USER MOD reduce.3.24.130724 H: found=0, std=0, add=872, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 872 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 SER OG : rot 180:sc= 0.0226 USER MOD Set 1.2: A 36 THR OG1 : rot 180:sc= 0.122 USER MOD Set 2.1: A 10 HIS : no HD1:sc= -1.33 K(o=-1.3,f=0.084) USER MOD Set 2.2: A 12 HIS : no HE2:sc= -0.0184 K(o=-1.3,f=0.084) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.971 K(o=-0.97,f=-3.3!) USER MOD Single : A 6 HIS : no HD1:sc= -1.82! C(o=-1.8!,f=-1.8!) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.391 X(o=-0.39,f=-0.26) USER MOD Single : A 9 HIS : no HD1:sc= -0.189 X(o=-0.19,f=-0.32) USER MOD Single : A 11 HIS : no HD1:sc= -0.518 X(o=-0.52,f=-0.29) USER MOD Single : A 14 ASN : amide:sc= -1.16 X(o=-1.2,f=-1!) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.166 K(o=-0.17,f=-1.3!) USER MOD Single : A 20 SER OG : rot 180:sc= -0.307 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 CYS SG : rot 180:sc= 0.0528 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.172 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 69:sc= -2.89! USER MOD Single : A 47 GLN : amide:sc= -1.5! C(o=-1.5!,f=-2.8!) USER MOD Single : A 48 SER OG : rot 89:sc= 1.19 USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 50 ASN : amide:sc= 0.623 K(o=0.62,f=-0.18) USER MOD Single : A 57 GLN : amide:sc= -0.256 K(o=-0.26,f=-3.4!) USER MOD Single : A 58 CYS SG : rot 173:sc= -0.787! USER MOD Single : A 61 ASN : amide:sc=-0.00253 X(o=-0.0025,f=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.459 USER MOD Single : A 66 TYR OH : rot 99:sc= -3.53! USER MOD Single : A 67 MET CE :methyl -145:sc= -0.308 (180deg=-1.92) USER MOD Single : A 71 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-3.6!) USER MOD Single : A 74 CYS SG : rot 180:sc= -0.472 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0264 USER MOD Single : A 82 SER OG : rot 114:sc= 1.02 USER MOD Single : A 90 HIS : no HD1:sc= -0.152 X(o=-0.15,f=-0.23) USER MOD Single : A 92 MET CE :methyl 149:sc= -0.531 (180deg=-1.92!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -2.37 K(o=-2.4,f=-3!) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 60:sc= 1.22 USER MOD Single : A 112 GLN : amide:sc= -0.479 X(o=-0.48,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.933 -10.555 9.100 1.00 0.00 N ATOM 2 CA MET A 1 16.821 -9.230 8.437 1.00 0.00 C ATOM 3 C MET A 1 17.247 -9.308 6.973 1.00 0.00 C ATOM 4 O MET A 1 16.434 -9.117 6.069 1.00 0.00 O ATOM 5 CB MET A 1 17.702 -8.232 9.191 1.00 0.00 C ATOM 6 CG MET A 1 17.215 -6.796 9.091 1.00 0.00 C ATOM 7 SD MET A 1 18.362 -5.621 9.838 1.00 0.00 S ATOM 8 CE MET A 1 18.030 -4.156 8.862 1.00 0.00 C ATOM 0 H1 MET A 1 16.637 -10.472 10.094 1.00 0.00 H new ATOM 0 H2 MET A 1 16.321 -11.240 8.612 1.00 0.00 H new ATOM 0 H3 MET A 1 17.920 -10.882 9.059 1.00 0.00 H new ATOM 0 HA MET A 1 15.781 -8.905 8.459 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.746 -8.520 10.241 1.00 0.00 H new ATOM 0 HB3 MET A 1 18.718 -8.290 8.802 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.068 -6.538 8.042 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.244 -6.711 9.579 1.00 0.00 H new ATOM 0 HE1 MET A 1 18.665 -3.339 9.205 1.00 0.00 H new ATOM 0 HE2 MET A 1 18.240 -4.363 7.813 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.983 -3.874 8.974 1.00 0.00 H new ATOM 20 N GLY A 2 18.525 -9.591 6.748 1.00 0.00 N ATOM 21 CA GLY A 2 19.037 -9.690 5.393 1.00 0.00 C ATOM 22 C GLY A 2 20.149 -8.698 5.118 1.00 0.00 C ATOM 23 O GLY A 2 20.212 -8.110 4.039 1.00 0.00 O ATOM 0 H GLY A 2 19.217 -9.754 7.480 1.00 0.00 H new ATOM 0 HA2 GLY A 2 19.406 -10.701 5.221 1.00 0.00 H new ATOM 0 HA3 GLY A 2 18.223 -9.523 4.688 1.00 0.00 H new ATOM 27 N SER A 3 21.028 -8.510 6.097 1.00 0.00 N ATOM 28 CA SER A 3 22.142 -7.580 5.954 1.00 0.00 C ATOM 29 C SER A 3 23.477 -8.314 6.035 1.00 0.00 C ATOM 30 O SER A 3 23.517 -9.532 6.214 1.00 0.00 O ATOM 31 CB SER A 3 22.074 -6.501 7.038 1.00 0.00 C ATOM 32 OG SER A 3 20.899 -5.714 6.907 1.00 0.00 O ATOM 0 H SER A 3 20.990 -8.989 6.997 1.00 0.00 H new ATOM 0 HA SER A 3 22.066 -7.108 4.974 1.00 0.00 H new ATOM 0 HB2 SER A 3 22.093 -6.969 8.022 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.953 -5.860 6.972 1.00 0.00 H new ATOM 0 HG SER A 3 20.880 -5.034 7.613 1.00 0.00 H new ATOM 38 N SER A 4 24.567 -7.567 5.899 1.00 0.00 N ATOM 39 CA SER A 4 25.903 -8.148 5.956 1.00 0.00 C ATOM 40 C SER A 4 26.956 -7.071 6.195 1.00 0.00 C ATOM 41 O SER A 4 27.416 -6.418 5.258 1.00 0.00 O ATOM 42 CB SER A 4 26.209 -8.900 4.658 1.00 0.00 C ATOM 43 OG SER A 4 25.386 -8.445 3.599 1.00 0.00 O ATOM 0 H SER A 4 24.552 -6.558 5.749 1.00 0.00 H new ATOM 0 HA SER A 4 25.933 -8.849 6.790 1.00 0.00 H new ATOM 0 HB2 SER A 4 27.257 -8.762 4.393 1.00 0.00 H new ATOM 0 HB3 SER A 4 26.056 -9.969 4.808 1.00 0.00 H new ATOM 0 HG SER A 4 25.602 -8.940 2.781 1.00 0.00 H new ATOM 49 N HIS A 5 27.336 -6.892 7.457 1.00 0.00 N ATOM 50 CA HIS A 5 28.337 -5.896 7.823 1.00 0.00 C ATOM 51 C HIS A 5 27.950 -4.513 7.306 1.00 0.00 C ATOM 52 O HIS A 5 28.814 -3.709 6.954 1.00 0.00 O ATOM 53 CB HIS A 5 29.708 -6.291 7.270 1.00 0.00 C ATOM 54 CG HIS A 5 30.101 -7.699 7.592 1.00 0.00 C ATOM 55 ND1 HIS A 5 29.357 -8.795 7.211 1.00 0.00 N ATOM 56 CD2 HIS A 5 31.171 -8.190 8.262 1.00 0.00 C ATOM 57 CE1 HIS A 5 29.949 -9.897 7.632 1.00 0.00 C ATOM 58 NE2 HIS A 5 31.053 -9.558 8.272 1.00 0.00 N ATOM 0 H HIS A 5 26.965 -7.425 8.244 1.00 0.00 H new ATOM 0 HA HIS A 5 28.387 -5.856 8.911 1.00 0.00 H new ATOM 0 HB2 HIS A 5 29.705 -6.162 6.188 1.00 0.00 H new ATOM 0 HB3 HIS A 5 30.461 -5.612 7.670 1.00 0.00 H new ATOM 0 HD2 HIS A 5 31.969 -7.613 8.706 1.00 0.00 H new ATOM 0 HE1 HIS A 5 29.591 -10.904 7.479 1.00 0.00 H new ATOM 0 HE2 HIS A 5 31.711 -10.207 8.704 1.00 0.00 H new ATOM 67 N HIS A 6 26.650 -4.241 7.261 1.00 0.00 N ATOM 68 CA HIS A 6 26.157 -2.953 6.785 1.00 0.00 C ATOM 69 C HIS A 6 26.522 -2.748 5.315 1.00 0.00 C ATOM 70 O HIS A 6 27.063 -3.647 4.671 1.00 0.00 O ATOM 71 CB HIS A 6 26.736 -1.820 7.640 1.00 0.00 C ATOM 72 CG HIS A 6 25.978 -0.533 7.531 1.00 0.00 C ATOM 73 ND1 HIS A 6 26.586 0.679 7.287 1.00 0.00 N ATOM 74 CD2 HIS A 6 24.650 -0.273 7.613 1.00 0.00 C ATOM 75 CE1 HIS A 6 25.671 1.629 7.223 1.00 0.00 C ATOM 76 NE2 HIS A 6 24.487 1.077 7.416 1.00 0.00 N ATOM 0 H HIS A 6 25.920 -4.893 7.548 1.00 0.00 H new ATOM 0 HA HIS A 6 25.071 -2.942 6.874 1.00 0.00 H new ATOM 0 HB2 HIS A 6 26.750 -2.135 8.683 1.00 0.00 H new ATOM 0 HB3 HIS A 6 27.771 -1.647 7.345 1.00 0.00 H new ATOM 0 HD2 HIS A 6 23.866 -0.993 7.799 1.00 0.00 H new ATOM 0 HE1 HIS A 6 25.859 2.677 7.044 1.00 0.00 H new ATOM 0 HE2 HIS A 6 23.596 1.573 7.418 1.00 0.00 H new ATOM 85 N HIS A 7 26.222 -1.564 4.787 1.00 0.00 N ATOM 86 CA HIS A 7 26.517 -1.245 3.395 1.00 0.00 C ATOM 87 C HIS A 7 28.000 -1.436 3.091 1.00 0.00 C ATOM 88 O HIS A 7 28.846 -1.325 3.978 1.00 0.00 O ATOM 89 CB HIS A 7 26.102 0.194 3.085 1.00 0.00 C ATOM 90 CG HIS A 7 24.627 0.363 2.897 1.00 0.00 C ATOM 91 ND1 HIS A 7 24.009 0.259 1.669 1.00 0.00 N ATOM 92 CD2 HIS A 7 23.644 0.630 3.790 1.00 0.00 C ATOM 93 CE1 HIS A 7 22.711 0.457 1.812 1.00 0.00 C ATOM 94 NE2 HIS A 7 22.463 0.682 3.089 1.00 0.00 N ATOM 0 H HIS A 7 25.773 -0.808 5.305 1.00 0.00 H new ATOM 0 HA HIS A 7 25.948 -1.927 2.764 1.00 0.00 H new ATOM 0 HB2 HIS A 7 26.433 0.842 3.896 1.00 0.00 H new ATOM 0 HB3 HIS A 7 26.616 0.525 2.182 1.00 0.00 H new ATOM 0 HD2 HIS A 7 23.766 0.775 4.853 1.00 0.00 H new ATOM 0 HE1 HIS A 7 21.978 0.438 1.019 1.00 0.00 H new ATOM 0 HE2 HIS A 7 21.543 0.865 3.491 1.00 0.00 H new ATOM 103 N HIS A 8 28.303 -1.724 1.831 1.00 0.00 N ATOM 104 CA HIS A 8 29.681 -1.932 1.400 1.00 0.00 C ATOM 105 C HIS A 8 30.539 -0.704 1.693 1.00 0.00 C ATOM 106 O HIS A 8 31.683 -0.824 2.129 1.00 0.00 O ATOM 107 CB HIS A 8 29.723 -2.254 -0.096 1.00 0.00 C ATOM 108 CG HIS A 8 30.470 -3.511 -0.420 1.00 0.00 C ATOM 109 ND1 HIS A 8 30.612 -3.992 -1.704 1.00 0.00 N ATOM 110 CD2 HIS A 8 31.119 -4.390 0.381 1.00 0.00 C ATOM 111 CE1 HIS A 8 31.314 -5.109 -1.682 1.00 0.00 C ATOM 112 NE2 HIS A 8 31.635 -5.372 -0.429 1.00 0.00 N ATOM 0 H HIS A 8 27.611 -1.819 1.088 1.00 0.00 H new ATOM 0 HA HIS A 8 30.087 -2.774 1.960 1.00 0.00 H new ATOM 0 HB2 HIS A 8 28.702 -2.342 -0.469 1.00 0.00 H new ATOM 0 HB3 HIS A 8 30.185 -1.421 -0.625 1.00 0.00 H new ATOM 0 HD2 HIS A 8 31.213 -4.330 1.455 1.00 0.00 H new ATOM 0 HE1 HIS A 8 31.580 -5.706 -2.542 1.00 0.00 H new ATOM 0 HE2 HIS A 8 32.179 -6.175 -0.113 1.00 0.00 H new ATOM 121 N HIS A 9 29.979 0.477 1.446 1.00 0.00 N ATOM 122 CA HIS A 9 30.700 1.723 1.682 1.00 0.00 C ATOM 123 C HIS A 9 29.802 2.929 1.436 1.00 0.00 C ATOM 124 O HIS A 9 29.781 3.873 2.227 1.00 0.00 O ATOM 125 CB HIS A 9 31.928 1.801 0.773 1.00 0.00 C ATOM 126 CG HIS A 9 33.092 2.509 1.396 1.00 0.00 C ATOM 127 ND1 HIS A 9 33.479 2.315 2.705 1.00 0.00 N ATOM 128 CD2 HIS A 9 33.958 3.413 0.881 1.00 0.00 C ATOM 129 CE1 HIS A 9 34.531 3.068 2.969 1.00 0.00 C ATOM 130 NE2 HIS A 9 34.843 3.744 1.879 1.00 0.00 N ATOM 0 H HIS A 9 29.033 0.597 1.084 1.00 0.00 H new ATOM 0 HA HIS A 9 31.019 1.736 2.724 1.00 0.00 H new ATOM 0 HB2 HIS A 9 32.232 0.791 0.500 1.00 0.00 H new ATOM 0 HB3 HIS A 9 31.654 2.312 -0.150 1.00 0.00 H new ATOM 0 HD2 HIS A 9 33.954 3.802 -0.127 1.00 0.00 H new ATOM 0 HE1 HIS A 9 35.048 3.122 3.916 1.00 0.00 H new ATOM 0 HE2 HIS A 9 35.615 4.405 1.792 1.00 0.00 H new ATOM 139 N HIS A 10 29.064 2.894 0.333 1.00 0.00 N ATOM 140 CA HIS A 10 28.166 3.986 -0.021 1.00 0.00 C ATOM 141 C HIS A 10 26.713 3.520 -0.004 1.00 0.00 C ATOM 142 O HIS A 10 26.419 2.396 0.401 1.00 0.00 O ATOM 143 CB HIS A 10 28.531 4.553 -1.398 1.00 0.00 C ATOM 144 CG HIS A 10 28.670 3.512 -2.467 1.00 0.00 C ATOM 145 ND1 HIS A 10 27.861 3.465 -3.582 1.00 0.00 N ATOM 146 CD2 HIS A 10 29.535 2.476 -2.594 1.00 0.00 C ATOM 147 CE1 HIS A 10 28.220 2.451 -4.348 1.00 0.00 C ATOM 148 NE2 HIS A 10 29.235 1.833 -3.770 1.00 0.00 N ATOM 0 H HIS A 10 29.070 2.121 -0.332 1.00 0.00 H new ATOM 0 HA HIS A 10 28.279 4.776 0.722 1.00 0.00 H new ATOM 0 HB2 HIS A 10 27.766 5.269 -1.699 1.00 0.00 H new ATOM 0 HB3 HIS A 10 29.468 5.103 -1.316 1.00 0.00 H new ATOM 0 HD2 HIS A 10 30.316 2.206 -1.899 1.00 0.00 H new ATOM 0 HE1 HIS A 10 27.762 2.174 -5.286 1.00 0.00 H new ATOM 0 HE2 HIS A 10 29.717 1.012 -4.137 1.00 0.00 H new ATOM 157 N HIS A 11 25.808 4.391 -0.438 1.00 0.00 N ATOM 158 CA HIS A 11 24.387 4.064 -0.464 1.00 0.00 C ATOM 159 C HIS A 11 23.843 4.102 -1.887 1.00 0.00 C ATOM 160 O HIS A 11 23.971 5.109 -2.585 1.00 0.00 O ATOM 161 CB HIS A 11 23.606 5.038 0.422 1.00 0.00 C ATOM 162 CG HIS A 11 23.630 6.451 -0.074 1.00 0.00 C ATOM 163 ND1 HIS A 11 24.643 7.338 0.225 1.00 0.00 N ATOM 164 CD2 HIS A 11 22.758 7.132 -0.854 1.00 0.00 C ATOM 165 CE1 HIS A 11 24.394 8.501 -0.348 1.00 0.00 C ATOM 166 NE2 HIS A 11 23.256 8.403 -1.010 1.00 0.00 N ATOM 0 H HIS A 11 26.033 5.327 -0.776 1.00 0.00 H new ATOM 0 HA HIS A 11 24.264 3.052 -0.079 1.00 0.00 H new ATOM 0 HB2 HIS A 11 22.571 4.703 0.491 1.00 0.00 H new ATOM 0 HB3 HIS A 11 24.018 5.009 1.431 1.00 0.00 H new ATOM 0 HD2 HIS A 11 21.841 6.748 -1.275 1.00 0.00 H new ATOM 0 HE1 HIS A 11 25.015 9.382 -0.286 1.00 0.00 H new ATOM 0 HE2 HIS A 11 22.818 9.149 -1.550 1.00 0.00 H new ATOM 175 N HIS A 12 23.233 3.001 -2.310 1.00 0.00 N ATOM 176 CA HIS A 12 22.667 2.908 -3.651 1.00 0.00 C ATOM 177 C HIS A 12 21.302 3.585 -3.710 1.00 0.00 C ATOM 178 O HIS A 12 21.174 4.707 -4.203 1.00 0.00 O ATOM 179 CB HIS A 12 22.543 1.443 -4.074 1.00 0.00 C ATOM 180 CG HIS A 12 23.768 0.911 -4.749 1.00 0.00 C ATOM 181 ND1 HIS A 12 23.741 -0.144 -5.636 1.00 0.00 N ATOM 182 CD2 HIS A 12 25.065 1.294 -4.666 1.00 0.00 C ATOM 183 CE1 HIS A 12 24.965 -0.389 -6.069 1.00 0.00 C ATOM 184 NE2 HIS A 12 25.786 0.470 -5.495 1.00 0.00 N ATOM 0 H HIS A 12 23.118 2.160 -1.744 1.00 0.00 H new ATOM 0 HA HIS A 12 23.338 3.421 -4.340 1.00 0.00 H new ATOM 0 HB2 HIS A 12 22.330 0.836 -3.194 1.00 0.00 H new ATOM 0 HB3 HIS A 12 21.692 1.338 -4.747 1.00 0.00 H new ATOM 0 HD1 HIS A 12 22.905 -0.657 -5.915 1.00 0.00 H new ATOM 0 HD2 HIS A 12 25.458 2.097 -4.061 1.00 0.00 H new ATOM 0 HE1 HIS A 12 25.245 -1.160 -6.772 1.00 0.00 H new ATOM 193 N GLU A 13 20.284 2.898 -3.203 1.00 0.00 N ATOM 194 CA GLU A 13 18.927 3.431 -3.195 1.00 0.00 C ATOM 195 C GLU A 13 17.985 2.501 -2.442 1.00 0.00 C ATOM 196 O GLU A 13 17.833 1.333 -2.799 1.00 0.00 O ATOM 197 CB GLU A 13 18.426 3.632 -4.627 1.00 0.00 C ATOM 198 CG GLU A 13 17.457 4.794 -4.775 1.00 0.00 C ATOM 199 CD GLU A 13 17.307 5.255 -6.212 1.00 0.00 C ATOM 200 OE1 GLU A 13 18.111 4.818 -7.063 1.00 0.00 O ATOM 201 OE2 GLU A 13 16.386 6.053 -6.487 1.00 0.00 O ATOM 0 H GLU A 13 20.374 1.969 -2.791 1.00 0.00 H new ATOM 0 HA GLU A 13 18.944 4.394 -2.686 1.00 0.00 H new ATOM 0 HB2 GLU A 13 19.281 3.797 -5.282 1.00 0.00 H new ATOM 0 HB3 GLU A 13 17.938 2.718 -4.964 1.00 0.00 H new ATOM 0 HG2 GLU A 13 16.481 4.499 -4.389 1.00 0.00 H new ATOM 0 HG3 GLU A 13 17.802 5.629 -4.165 1.00 0.00 H new ATOM 208 N ASN A 14 17.353 3.025 -1.399 1.00 0.00 N ATOM 209 CA ASN A 14 16.426 2.239 -0.597 1.00 0.00 C ATOM 210 C ASN A 14 15.247 1.767 -1.438 1.00 0.00 C ATOM 211 O ASN A 14 14.377 2.557 -1.805 1.00 0.00 O ATOM 212 CB ASN A 14 15.920 3.059 0.591 1.00 0.00 C ATOM 213 CG ASN A 14 15.409 4.425 0.177 1.00 0.00 C ATOM 214 OD1 ASN A 14 14.293 4.557 -0.328 1.00 0.00 O ATOM 215 ND2 ASN A 14 16.224 5.451 0.389 1.00 0.00 N ATOM 0 H ASN A 14 17.466 3.990 -1.090 1.00 0.00 H new ATOM 0 HA ASN A 14 16.960 1.365 -0.225 1.00 0.00 H new ATOM 0 HB2 ASN A 14 15.121 2.512 1.092 1.00 0.00 H new ATOM 0 HB3 ASN A 14 16.726 3.180 1.315 1.00 0.00 H new ATOM 0 HD21 ASN A 14 15.934 6.394 0.131 1.00 0.00 H new ATOM 0 HD22 ASN A 14 17.140 5.296 0.810 1.00 0.00 H new ATOM 222 N LEU A 15 15.220 0.473 -1.736 1.00 0.00 N ATOM 223 CA LEU A 15 14.142 -0.100 -2.528 1.00 0.00 C ATOM 224 C LEU A 15 12.902 -0.317 -1.662 1.00 0.00 C ATOM 225 O LEU A 15 12.410 -1.438 -1.530 1.00 0.00 O ATOM 226 CB LEU A 15 14.591 -1.423 -3.161 1.00 0.00 C ATOM 227 CG LEU A 15 14.449 -1.498 -4.684 1.00 0.00 C ATOM 228 CD1 LEU A 15 15.001 -2.816 -5.207 1.00 0.00 C ATOM 229 CD2 LEU A 15 12.993 -1.329 -5.095 1.00 0.00 C ATOM 0 H LEU A 15 15.931 -0.196 -1.441 1.00 0.00 H new ATOM 0 HA LEU A 15 13.888 0.598 -3.326 1.00 0.00 H new ATOM 0 HB2 LEU A 15 15.635 -1.596 -2.900 1.00 0.00 H new ATOM 0 HB3 LEU A 15 14.013 -2.234 -2.718 1.00 0.00 H new ATOM 0 HG LEU A 15 15.026 -0.684 -5.123 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.892 -2.852 -6.291 1.00 0.00 H new ATOM 0 HD12 LEU A 15 16.056 -2.898 -4.946 1.00 0.00 H new ATOM 0 HD13 LEU A 15 14.451 -3.644 -4.759 1.00 0.00 H new ATOM 0 HD21 LEU A 15 12.912 -1.385 -6.181 1.00 0.00 H new ATOM 0 HD22 LEU A 15 12.394 -2.121 -4.645 1.00 0.00 H new ATOM 0 HD23 LEU A 15 12.629 -0.360 -4.754 1.00 0.00 H new ATOM 241 N TYR A 16 12.396 0.766 -1.076 1.00 0.00 N ATOM 242 CA TYR A 16 11.210 0.697 -0.226 1.00 0.00 C ATOM 243 C TYR A 16 9.944 0.561 -1.075 1.00 0.00 C ATOM 244 O TYR A 16 8.946 1.241 -0.836 1.00 0.00 O ATOM 245 CB TYR A 16 11.122 1.947 0.656 1.00 0.00 C ATOM 246 CG TYR A 16 11.488 1.708 2.106 1.00 0.00 C ATOM 247 CD1 TYR A 16 12.783 1.359 2.470 1.00 0.00 C ATOM 248 CD2 TYR A 16 10.537 1.839 3.111 1.00 0.00 C ATOM 249 CE1 TYR A 16 13.118 1.148 3.795 1.00 0.00 C ATOM 250 CE2 TYR A 16 10.865 1.629 4.437 1.00 0.00 C ATOM 251 CZ TYR A 16 12.157 1.283 4.773 1.00 0.00 C ATOM 252 OH TYR A 16 12.487 1.076 6.093 1.00 0.00 O ATOM 0 H TYR A 16 12.789 1.702 -1.174 1.00 0.00 H new ATOM 0 HA TYR A 16 11.293 -0.183 0.412 1.00 0.00 H new ATOM 0 HB2 TYR A 16 11.781 2.714 0.248 1.00 0.00 H new ATOM 0 HB3 TYR A 16 10.107 2.341 0.609 1.00 0.00 H new ATOM 0 HD1 TYR A 16 13.539 1.251 1.707 1.00 0.00 H new ATOM 0 HD2 TYR A 16 9.524 2.110 2.851 1.00 0.00 H new ATOM 0 HE1 TYR A 16 14.129 0.878 4.062 1.00 0.00 H new ATOM 0 HE2 TYR A 16 10.114 1.735 5.206 1.00 0.00 H new ATOM 0 HH TYR A 16 11.695 1.212 6.654 1.00 0.00 H new ATOM 262 N PHE A 17 9.993 -0.324 -2.070 1.00 0.00 N ATOM 263 CA PHE A 17 8.858 -0.551 -2.955 1.00 0.00 C ATOM 264 C PHE A 17 8.362 0.757 -3.563 1.00 0.00 C ATOM 265 O PHE A 17 7.551 1.464 -2.967 1.00 0.00 O ATOM 266 CB PHE A 17 7.728 -1.245 -2.195 1.00 0.00 C ATOM 267 CG PHE A 17 7.813 -2.743 -2.253 1.00 0.00 C ATOM 268 CD1 PHE A 17 7.998 -3.390 -3.463 1.00 0.00 C ATOM 269 CD2 PHE A 17 7.710 -3.503 -1.099 1.00 0.00 C ATOM 270 CE1 PHE A 17 8.080 -4.768 -3.523 1.00 0.00 C ATOM 271 CE2 PHE A 17 7.791 -4.882 -1.152 1.00 0.00 C ATOM 272 CZ PHE A 17 7.976 -5.514 -2.366 1.00 0.00 C ATOM 0 H PHE A 17 10.811 -0.896 -2.281 1.00 0.00 H new ATOM 0 HA PHE A 17 9.187 -1.196 -3.769 1.00 0.00 H new ATOM 0 HB2 PHE A 17 7.749 -0.926 -1.153 1.00 0.00 H new ATOM 0 HB3 PHE A 17 6.771 -0.925 -2.607 1.00 0.00 H new ATOM 0 HD1 PHE A 17 8.079 -2.811 -4.371 1.00 0.00 H new ATOM 0 HD2 PHE A 17 7.565 -3.013 -0.148 1.00 0.00 H new ATOM 0 HE1 PHE A 17 8.225 -5.261 -4.473 1.00 0.00 H new ATOM 0 HE2 PHE A 17 7.710 -5.464 -0.246 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.039 -6.591 -2.410 1.00 0.00 H new ATOM 282 N GLN A 18 8.858 1.071 -4.757 1.00 0.00 N ATOM 283 CA GLN A 18 8.466 2.291 -5.451 1.00 0.00 C ATOM 284 C GLN A 18 7.451 1.989 -6.550 1.00 0.00 C ATOM 285 O GLN A 18 7.770 1.337 -7.543 1.00 0.00 O ATOM 286 CB GLN A 18 9.696 2.985 -6.045 1.00 0.00 C ATOM 287 CG GLN A 18 9.951 4.368 -5.467 1.00 0.00 C ATOM 288 CD GLN A 18 9.765 5.473 -6.490 1.00 0.00 C ATOM 289 OE1 GLN A 18 10.003 5.276 -7.683 1.00 0.00 O ATOM 290 NE2 GLN A 18 9.339 6.642 -6.029 1.00 0.00 N ATOM 0 H GLN A 18 9.532 0.496 -5.263 1.00 0.00 H new ATOM 0 HA GLN A 18 7.999 2.959 -4.727 1.00 0.00 H new ATOM 0 HB2 GLN A 18 10.573 2.361 -5.874 1.00 0.00 H new ATOM 0 HB3 GLN A 18 9.570 3.069 -7.124 1.00 0.00 H new ATOM 0 HG2 GLN A 18 9.275 4.537 -4.628 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.966 4.411 -5.072 1.00 0.00 H new ATOM 0 HE21 GLN A 18 9.154 6.761 -5.033 1.00 0.00 H new ATOM 0 HE22 GLN A 18 9.196 7.422 -6.671 1.00 0.00 H new ATOM 299 N GLY A 19 6.226 2.467 -6.360 1.00 0.00 N ATOM 300 CA GLY A 19 5.179 2.239 -7.340 1.00 0.00 C ATOM 301 C GLY A 19 4.603 0.839 -7.258 1.00 0.00 C ATOM 302 O GLY A 19 4.195 0.268 -8.269 1.00 0.00 O ATOM 0 H GLY A 19 5.939 3.009 -5.545 1.00 0.00 H new ATOM 0 HA2 GLY A 19 4.381 2.966 -7.190 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.579 2.406 -8.340 1.00 0.00 H new ATOM 306 N SER A 20 4.573 0.284 -6.050 1.00 0.00 N ATOM 307 CA SER A 20 4.044 -1.061 -5.837 1.00 0.00 C ATOM 308 C SER A 20 4.158 -1.460 -4.368 1.00 0.00 C ATOM 309 O SER A 20 5.082 -2.175 -3.981 1.00 0.00 O ATOM 310 CB SER A 20 4.794 -2.071 -6.710 1.00 0.00 C ATOM 311 OG SER A 20 6.070 -1.577 -7.079 1.00 0.00 O ATOM 0 H SER A 20 4.908 0.744 -5.204 1.00 0.00 H new ATOM 0 HA SER A 20 2.991 -1.061 -6.117 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.907 -3.011 -6.169 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.211 -2.286 -7.605 1.00 0.00 H new ATOM 0 HG SER A 20 6.530 -2.241 -7.635 1.00 0.00 H new ATOM 317 N LYS A 21 3.216 -0.994 -3.555 1.00 0.00 N ATOM 318 CA LYS A 21 3.220 -1.305 -2.129 1.00 0.00 C ATOM 319 C LYS A 21 1.811 -1.596 -1.625 1.00 0.00 C ATOM 320 O LYS A 21 1.455 -2.748 -1.378 1.00 0.00 O ATOM 321 CB LYS A 21 3.828 -0.147 -1.336 1.00 0.00 C ATOM 322 CG LYS A 21 3.862 -0.389 0.164 1.00 0.00 C ATOM 323 CD LYS A 21 5.050 -1.252 0.561 1.00 0.00 C ATOM 324 CE LYS A 21 4.663 -2.292 1.600 1.00 0.00 C ATOM 325 NZ LYS A 21 5.685 -2.409 2.675 1.00 0.00 N ATOM 0 H LYS A 21 2.442 -0.402 -3.857 1.00 0.00 H new ATOM 0 HA LYS A 21 3.827 -2.198 -1.982 1.00 0.00 H new ATOM 0 HB2 LYS A 21 4.843 0.031 -1.690 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.257 0.759 -1.537 1.00 0.00 H new ATOM 0 HG2 LYS A 21 3.913 0.566 0.687 1.00 0.00 H new ATOM 0 HG3 LYS A 21 2.937 -0.874 0.477 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.450 -1.750 -0.322 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.844 -0.619 0.957 1.00 0.00 H new ATOM 0 HE2 LYS A 21 3.702 -2.025 2.040 1.00 0.00 H new ATOM 0 HE3 LYS A 21 4.534 -3.259 1.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 5.384 -3.128 3.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.596 -2.688 2.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 5.790 -1.493 3.155 1.00 0.00 H new ATOM 339 N ARG A 22 1.012 -0.546 -1.471 1.00 0.00 N ATOM 340 CA ARG A 22 -0.356 -0.691 -0.992 1.00 0.00 C ATOM 341 C ARG A 22 -1.348 -0.278 -2.072 1.00 0.00 C ATOM 342 O ARG A 22 -1.075 0.619 -2.869 1.00 0.00 O ATOM 343 CB ARG A 22 -0.581 0.134 0.283 1.00 0.00 C ATOM 344 CG ARG A 22 0.149 1.470 0.302 1.00 0.00 C ATOM 345 CD ARG A 22 0.374 1.965 1.722 1.00 0.00 C ATOM 346 NE ARG A 22 1.650 1.503 2.269 1.00 0.00 N ATOM 347 CZ ARG A 22 2.475 2.265 2.989 1.00 0.00 C ATOM 348 NH1 ARG A 22 2.168 3.527 3.261 1.00 0.00 N ATOM 349 NH2 ARG A 22 3.614 1.758 3.441 1.00 0.00 N ATOM 0 H ARG A 22 1.289 0.415 -1.671 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.520 -1.742 -0.752 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -1.649 0.315 0.401 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -0.261 -0.454 1.143 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.109 1.368 -0.205 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.428 2.209 -0.254 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.348 3.055 1.734 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.440 1.619 2.359 1.00 0.00 H new ATOM 0 HE ARG A 22 1.926 0.538 2.089 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.293 3.924 2.919 1.00 0.00 H new ATOM 0 HH12 ARG A 22 2.807 4.100 3.813 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.857 0.788 3.238 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.247 2.338 3.992 1.00 0.00 H new ATOM 363 N LYS A 23 -2.494 -0.946 -2.101 1.00 0.00 N ATOM 364 CA LYS A 23 -3.520 -0.652 -3.094 1.00 0.00 C ATOM 365 C LYS A 23 -4.898 -0.554 -2.450 1.00 0.00 C ATOM 366 O LYS A 23 -5.365 -1.500 -1.818 1.00 0.00 O ATOM 367 CB LYS A 23 -3.521 -1.734 -4.177 1.00 0.00 C ATOM 368 CG LYS A 23 -2.228 -1.787 -4.980 1.00 0.00 C ATOM 369 CD LYS A 23 -1.686 -3.205 -5.087 1.00 0.00 C ATOM 370 CE LYS A 23 -0.711 -3.342 -6.247 1.00 0.00 C ATOM 371 NZ LYS A 23 0.688 -3.027 -5.844 1.00 0.00 N ATOM 0 H LYS A 23 -2.736 -1.693 -1.450 1.00 0.00 H new ATOM 0 HA LYS A 23 -3.290 0.313 -3.547 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.690 -2.704 -3.710 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -4.355 -1.557 -4.856 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -2.404 -1.389 -5.979 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.481 -1.147 -4.509 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.187 -3.476 -4.157 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.513 -3.903 -5.221 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.755 -4.358 -6.639 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.014 -2.676 -7.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.318 -3.133 -6.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 0.737 -2.049 -5.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.988 -3.679 -5.091 1.00 0.00 H new ATOM 385 N ILE A 24 -5.547 0.595 -2.616 1.00 0.00 N ATOM 386 CA ILE A 24 -6.875 0.806 -2.048 1.00 0.00 C ATOM 387 C ILE A 24 -7.954 0.545 -3.084 1.00 0.00 C ATOM 388 O ILE A 24 -7.722 0.689 -4.283 1.00 0.00 O ATOM 389 CB ILE A 24 -7.045 2.233 -1.490 1.00 0.00 C ATOM 390 CG1 ILE A 24 -5.785 2.661 -0.743 1.00 0.00 C ATOM 391 CG2 ILE A 24 -8.256 2.309 -0.570 1.00 0.00 C ATOM 392 CD1 ILE A 24 -4.790 3.396 -1.612 1.00 0.00 C ATOM 0 H ILE A 24 -5.177 1.391 -3.136 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.978 0.099 -1.225 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.206 2.913 -2.326 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.067 3.301 0.093 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.305 1.778 -0.321 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -8.359 3.324 -0.187 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -9.153 2.039 -1.127 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.124 1.618 0.263 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.919 3.670 -1.016 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.479 2.751 -2.434 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.253 4.297 -2.013 1.00 0.00 H new ATOM 404 N ILE A 25 -9.131 0.141 -2.621 1.00 0.00 N ATOM 405 CA ILE A 25 -10.242 -0.160 -3.508 1.00 0.00 C ATOM 406 C ILE A 25 -11.468 0.680 -3.169 1.00 0.00 C ATOM 407 O ILE A 25 -11.728 0.959 -2.000 1.00 0.00 O ATOM 408 CB ILE A 25 -10.630 -1.646 -3.405 1.00 0.00 C ATOM 409 CG1 ILE A 25 -11.548 -1.862 -2.200 1.00 0.00 C ATOM 410 CG2 ILE A 25 -9.386 -2.510 -3.277 1.00 0.00 C ATOM 411 CD1 ILE A 25 -13.014 -1.649 -2.504 1.00 0.00 C ATOM 0 H ILE A 25 -9.339 0.015 -1.630 1.00 0.00 H new ATOM 0 HA ILE A 25 -9.913 0.073 -4.521 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.161 -1.934 -4.312 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.408 -2.876 -1.825 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.250 -1.183 -1.401 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -9.677 -3.558 -3.205 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -8.753 -2.368 -4.153 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.835 -2.224 -2.381 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -13.601 -1.820 -1.602 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -13.169 -0.627 -2.850 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -13.330 -2.346 -3.280 1.00 0.00 H new ATOM 423 N VAL A 26 -12.230 1.062 -4.186 1.00 0.00 N ATOM 424 CA VAL A 26 -13.443 1.849 -3.960 1.00 0.00 C ATOM 425 C VAL A 26 -14.642 1.262 -4.704 1.00 0.00 C ATOM 426 O VAL A 26 -14.590 1.058 -5.916 1.00 0.00 O ATOM 427 CB VAL A 26 -13.253 3.317 -4.385 1.00 0.00 C ATOM 428 CG1 VAL A 26 -13.026 3.415 -5.885 1.00 0.00 C ATOM 429 CG2 VAL A 26 -14.450 4.157 -3.960 1.00 0.00 C ATOM 0 H VAL A 26 -12.037 0.845 -5.164 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.639 1.812 -2.888 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.369 3.709 -3.883 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.894 4.460 -6.166 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.133 2.851 -6.155 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.888 3.004 -6.411 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -14.297 5.191 -4.269 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -15.353 3.768 -4.430 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -14.558 4.115 -2.876 1.00 0.00 H new ATOM 439 N ALA A 27 -15.726 0.999 -3.973 1.00 0.00 N ATOM 440 CA ALA A 27 -16.933 0.442 -4.575 1.00 0.00 C ATOM 441 C ALA A 27 -18.128 1.372 -4.405 1.00 0.00 C ATOM 442 O ALA A 27 -18.477 1.760 -3.290 1.00 0.00 O ATOM 443 CB ALA A 27 -17.240 -0.931 -3.994 1.00 0.00 C ATOM 0 H ALA A 27 -15.791 1.163 -2.968 1.00 0.00 H new ATOM 0 HA ALA A 27 -16.746 0.336 -5.644 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -18.144 -1.328 -4.457 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -16.406 -1.604 -4.191 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -17.391 -0.845 -2.918 1.00 0.00 H new ATOM 449 N CYS A 28 -18.743 1.732 -5.528 1.00 0.00 N ATOM 450 CA CYS A 28 -19.896 2.625 -5.528 1.00 0.00 C ATOM 451 C CYS A 28 -20.988 2.113 -6.465 1.00 0.00 C ATOM 452 O CYS A 28 -20.814 1.095 -7.135 1.00 0.00 O ATOM 453 CB CYS A 28 -19.459 4.027 -5.957 1.00 0.00 C ATOM 454 SG CYS A 28 -20.368 5.370 -5.159 1.00 0.00 S ATOM 0 H CYS A 28 -18.459 1.416 -6.455 1.00 0.00 H new ATOM 0 HA CYS A 28 -20.304 2.660 -4.518 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -18.397 4.145 -5.741 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -19.577 4.116 -7.037 1.00 0.00 H new ATOM 0 HG CYS A 28 -19.920 6.512 -5.589 1.00 0.00 H new ATOM 460 N GLY A 29 -22.111 2.825 -6.509 1.00 0.00 N ATOM 461 CA GLY A 29 -23.210 2.424 -7.369 1.00 0.00 C ATOM 462 C GLY A 29 -23.639 3.529 -8.317 1.00 0.00 C ATOM 463 O GLY A 29 -24.777 3.997 -8.262 1.00 0.00 O ATOM 0 H GLY A 29 -22.279 3.671 -5.965 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -22.914 1.548 -7.947 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -24.059 2.128 -6.753 1.00 0.00 H new ATOM 467 N GLY A 30 -22.727 3.944 -9.191 1.00 0.00 N ATOM 468 CA GLY A 30 -23.035 4.995 -10.144 1.00 0.00 C ATOM 469 C GLY A 30 -21.810 5.472 -10.899 1.00 0.00 C ATOM 470 O GLY A 30 -21.650 5.181 -12.085 1.00 0.00 O ATOM 0 H GLY A 30 -21.780 3.571 -9.256 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -23.777 4.630 -10.855 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -23.484 5.837 -9.618 1.00 0.00 H new ATOM 474 N ALA A 31 -20.942 6.208 -10.212 1.00 0.00 N ATOM 475 CA ALA A 31 -19.723 6.730 -10.823 1.00 0.00 C ATOM 476 C ALA A 31 -20.044 7.767 -11.894 1.00 0.00 C ATOM 477 O ALA A 31 -19.979 7.483 -13.090 1.00 0.00 O ATOM 478 CB ALA A 31 -18.898 5.593 -11.411 1.00 0.00 C ATOM 0 H ALA A 31 -21.060 6.457 -9.230 1.00 0.00 H new ATOM 0 HA ALA A 31 -19.139 7.222 -10.046 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -17.992 5.997 -11.863 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -18.628 4.893 -10.620 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -19.483 5.074 -12.171 1.00 0.00 H new ATOM 484 N VAL A 32 -20.391 8.973 -11.456 1.00 0.00 N ATOM 485 CA VAL A 32 -20.720 10.057 -12.375 1.00 0.00 C ATOM 486 C VAL A 32 -20.067 11.366 -11.939 1.00 0.00 C ATOM 487 O VAL A 32 -19.497 12.089 -12.755 1.00 0.00 O ATOM 488 CB VAL A 32 -22.245 10.259 -12.479 1.00 0.00 C ATOM 489 CG1 VAL A 32 -22.832 10.608 -11.121 1.00 0.00 C ATOM 490 CG2 VAL A 32 -22.576 11.335 -13.505 1.00 0.00 C ATOM 0 H VAL A 32 -20.452 9.224 -10.469 1.00 0.00 H new ATOM 0 HA VAL A 32 -20.333 9.774 -13.354 1.00 0.00 H new ATOM 0 HB VAL A 32 -22.693 9.323 -12.813 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -23.909 10.747 -11.215 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -22.630 9.799 -10.419 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -22.378 11.529 -10.754 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -23.657 11.462 -13.563 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -22.115 12.277 -13.206 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -22.193 11.037 -14.481 1.00 0.00 H new ATOM 500 N ALA A 33 -20.152 11.664 -10.647 1.00 0.00 N ATOM 501 CA ALA A 33 -19.567 12.886 -10.103 1.00 0.00 C ATOM 502 C ALA A 33 -18.739 12.589 -8.857 1.00 0.00 C ATOM 503 O ALA A 33 -17.695 13.201 -8.627 1.00 0.00 O ATOM 504 CB ALA A 33 -20.658 13.895 -9.782 1.00 0.00 C ATOM 0 H ALA A 33 -20.620 11.077 -9.957 1.00 0.00 H new ATOM 0 HA ALA A 33 -18.904 13.310 -10.858 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -20.208 14.801 -9.377 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -21.208 14.138 -10.691 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -21.342 13.470 -9.047 1.00 0.00 H new ATOM 510 N THR A 34 -19.220 11.647 -8.054 1.00 0.00 N ATOM 511 CA THR A 34 -18.543 11.257 -6.826 1.00 0.00 C ATOM 512 C THR A 34 -17.275 10.460 -7.122 1.00 0.00 C ATOM 513 O THR A 34 -16.363 10.396 -6.298 1.00 0.00 O ATOM 514 CB THR A 34 -19.490 10.434 -5.953 1.00 0.00 C ATOM 515 OG1 THR A 34 -20.683 10.121 -6.655 1.00 0.00 O ATOM 516 CG2 THR A 34 -19.877 11.141 -4.674 1.00 0.00 C ATOM 0 H THR A 34 -20.084 11.136 -8.235 1.00 0.00 H new ATOM 0 HA THR A 34 -18.253 12.162 -6.293 1.00 0.00 H new ATOM 0 HB THR A 34 -18.940 9.528 -5.699 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.273 9.593 -6.078 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.550 10.507 -4.097 1.00 0.00 H new ATOM 0 HG22 THR A 34 -18.982 11.348 -4.088 1.00 0.00 H new ATOM 0 HG23 THR A 34 -20.379 12.079 -4.914 1.00 0.00 H new ATOM 524 N SER A 35 -17.225 9.850 -8.304 1.00 0.00 N ATOM 525 CA SER A 35 -16.068 9.057 -8.706 1.00 0.00 C ATOM 526 C SER A 35 -14.860 9.951 -8.968 1.00 0.00 C ATOM 527 O SER A 35 -13.765 9.693 -8.468 1.00 0.00 O ATOM 528 CB SER A 35 -16.399 8.241 -9.957 1.00 0.00 C ATOM 529 OG SER A 35 -17.103 9.023 -10.907 1.00 0.00 O ATOM 0 H SER A 35 -17.971 9.890 -8.998 1.00 0.00 H new ATOM 0 HA SER A 35 -15.820 8.377 -7.891 1.00 0.00 H new ATOM 0 HB2 SER A 35 -15.478 7.864 -10.403 1.00 0.00 H new ATOM 0 HB3 SER A 35 -16.998 7.373 -9.681 1.00 0.00 H new ATOM 0 HG SER A 35 -17.301 8.478 -11.697 1.00 0.00 H new ATOM 535 N THR A 36 -15.065 11.003 -9.754 1.00 0.00 N ATOM 536 CA THR A 36 -13.992 11.936 -10.080 1.00 0.00 C ATOM 537 C THR A 36 -13.418 12.568 -8.816 1.00 0.00 C ATOM 538 O THR A 36 -12.220 12.472 -8.554 1.00 0.00 O ATOM 539 CB THR A 36 -14.503 13.027 -11.023 1.00 0.00 C ATOM 540 OG1 THR A 36 -15.686 12.609 -11.680 1.00 0.00 O ATOM 541 CG2 THR A 36 -13.499 13.413 -12.088 1.00 0.00 C ATOM 0 H THR A 36 -15.965 11.231 -10.177 1.00 0.00 H new ATOM 0 HA THR A 36 -13.199 11.378 -10.578 1.00 0.00 H new ATOM 0 HB THR A 36 -14.689 13.894 -10.389 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.998 13.321 -12.277 1.00 0.00 H new ATOM 0 HG21 THR A 36 -13.923 14.191 -12.723 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.591 13.787 -11.614 1.00 0.00 H new ATOM 0 HG23 THR A 36 -13.258 12.540 -12.695 1.00 0.00 H new ATOM 549 N MET A 37 -14.281 13.214 -8.036 1.00 0.00 N ATOM 550 CA MET A 37 -13.858 13.865 -6.797 1.00 0.00 C ATOM 551 C MET A 37 -12.972 12.941 -5.965 1.00 0.00 C ATOM 552 O MET A 37 -11.866 13.314 -5.574 1.00 0.00 O ATOM 553 CB MET A 37 -15.078 14.297 -5.980 1.00 0.00 C ATOM 554 CG MET A 37 -15.108 15.786 -5.674 1.00 0.00 C ATOM 555 SD MET A 37 -14.067 16.227 -4.269 1.00 0.00 S ATOM 556 CE MET A 37 -15.239 16.085 -2.921 1.00 0.00 C ATOM 0 H MET A 37 -15.277 13.301 -8.239 1.00 0.00 H new ATOM 0 HA MET A 37 -13.276 14.748 -7.063 1.00 0.00 H new ATOM 0 HB2 MET A 37 -15.983 14.028 -6.524 1.00 0.00 H new ATOM 0 HB3 MET A 37 -15.093 13.741 -5.042 1.00 0.00 H new ATOM 0 HG2 MET A 37 -14.779 16.340 -6.553 1.00 0.00 H new ATOM 0 HG3 MET A 37 -16.135 16.091 -5.470 1.00 0.00 H new ATOM 0 HE1 MET A 37 -14.743 16.328 -1.981 1.00 0.00 H new ATOM 0 HE2 MET A 37 -16.066 16.776 -3.084 1.00 0.00 H new ATOM 0 HE3 MET A 37 -15.621 15.065 -2.877 1.00 0.00 H new ATOM 566 N ALA A 38 -13.464 11.736 -5.700 1.00 0.00 N ATOM 567 CA ALA A 38 -12.713 10.762 -4.916 1.00 0.00 C ATOM 568 C ALA A 38 -11.375 10.441 -5.576 1.00 0.00 C ATOM 569 O ALA A 38 -10.316 10.627 -4.978 1.00 0.00 O ATOM 570 CB ALA A 38 -13.531 9.492 -4.730 1.00 0.00 C ATOM 0 H ALA A 38 -14.378 11.410 -6.016 1.00 0.00 H new ATOM 0 HA ALA A 38 -12.510 11.197 -3.937 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -12.959 8.773 -4.143 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -14.458 9.730 -4.209 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.762 9.062 -5.705 1.00 0.00 H new ATOM 576 N ALA A 39 -11.434 9.965 -6.816 1.00 0.00 N ATOM 577 CA ALA A 39 -10.229 9.622 -7.562 1.00 0.00 C ATOM 578 C ALA A 39 -9.250 10.792 -7.595 1.00 0.00 C ATOM 579 O ALA A 39 -8.081 10.645 -7.245 1.00 0.00 O ATOM 580 CB ALA A 39 -10.588 9.188 -8.976 1.00 0.00 C ATOM 0 H ALA A 39 -12.304 9.808 -7.325 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.741 8.791 -7.053 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -9.679 8.935 -9.521 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.240 8.316 -8.934 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -11.103 10.002 -9.487 1.00 0.00 H new ATOM 586 N GLU A 40 -9.740 11.956 -8.012 1.00 0.00 N ATOM 587 CA GLU A 40 -8.911 13.154 -8.087 1.00 0.00 C ATOM 588 C GLU A 40 -8.394 13.546 -6.706 1.00 0.00 C ATOM 589 O GLU A 40 -7.225 13.899 -6.548 1.00 0.00 O ATOM 590 CB GLU A 40 -9.709 14.312 -8.696 1.00 0.00 C ATOM 591 CG GLU A 40 -8.976 15.042 -9.809 1.00 0.00 C ATOM 592 CD GLU A 40 -9.909 15.859 -10.682 1.00 0.00 C ATOM 593 OE1 GLU A 40 -10.454 16.868 -10.186 1.00 0.00 O ATOM 594 OE2 GLU A 40 -10.095 15.490 -11.860 1.00 0.00 O ATOM 0 H GLU A 40 -10.708 12.095 -8.303 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.055 12.936 -8.725 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.651 13.927 -9.086 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.957 15.024 -7.909 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.223 15.699 -9.374 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.447 14.317 -10.428 1.00 0.00 H new ATOM 601 N GLU A 41 -9.272 13.483 -5.708 1.00 0.00 N ATOM 602 CA GLU A 41 -8.902 13.834 -4.340 1.00 0.00 C ATOM 603 C GLU A 41 -7.851 12.874 -3.792 1.00 0.00 C ATOM 604 O GLU A 41 -6.823 13.295 -3.269 1.00 0.00 O ATOM 605 CB GLU A 41 -10.136 13.828 -3.437 1.00 0.00 C ATOM 606 CG GLU A 41 -9.871 14.385 -2.047 1.00 0.00 C ATOM 607 CD GLU A 41 -10.759 15.568 -1.713 1.00 0.00 C ATOM 608 OE1 GLU A 41 -11.874 15.650 -2.270 1.00 0.00 O ATOM 609 OE2 GLU A 41 -10.339 16.413 -0.894 1.00 0.00 O ATOM 0 H GLU A 41 -10.243 13.193 -5.821 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.476 14.837 -4.355 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.926 14.412 -3.910 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.506 12.807 -3.346 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.027 13.598 -1.309 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.826 14.688 -1.974 1.00 0.00 H new ATOM 616 N ILE A 42 -8.115 11.581 -3.907 1.00 0.00 N ATOM 617 CA ILE A 42 -7.185 10.573 -3.420 1.00 0.00 C ATOM 618 C ILE A 42 -5.862 10.649 -4.177 1.00 0.00 C ATOM 619 O ILE A 42 -4.803 10.340 -3.633 1.00 0.00 O ATOM 620 CB ILE A 42 -7.769 9.153 -3.532 1.00 0.00 C ATOM 621 CG1 ILE A 42 -9.170 9.107 -2.913 1.00 0.00 C ATOM 622 CG2 ILE A 42 -6.853 8.148 -2.847 1.00 0.00 C ATOM 623 CD1 ILE A 42 -10.149 8.251 -3.688 1.00 0.00 C ATOM 0 H ILE A 42 -8.963 11.206 -4.332 1.00 0.00 H new ATOM 0 HA ILE A 42 -7.008 10.783 -2.365 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.845 8.889 -4.587 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -9.095 8.727 -1.894 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -9.562 10.122 -2.846 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -7.279 7.149 -2.935 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -5.872 8.167 -3.322 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -6.751 8.408 -1.793 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -11.119 8.266 -3.191 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -10.254 8.643 -4.700 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -9.780 7.226 -3.733 1.00 0.00 H new ATOM 635 N LYS A 43 -5.933 11.068 -5.438 1.00 0.00 N ATOM 636 CA LYS A 43 -4.745 11.192 -6.275 1.00 0.00 C ATOM 637 C LYS A 43 -3.814 12.282 -5.747 1.00 0.00 C ATOM 638 O LYS A 43 -2.654 12.019 -5.430 1.00 0.00 O ATOM 639 CB LYS A 43 -5.147 11.505 -7.718 1.00 0.00 C ATOM 640 CG LYS A 43 -4.070 11.177 -8.739 1.00 0.00 C ATOM 641 CD LYS A 43 -3.911 9.675 -8.919 1.00 0.00 C ATOM 642 CE LYS A 43 -4.916 9.121 -9.916 1.00 0.00 C ATOM 643 NZ LYS A 43 -5.744 8.034 -9.324 1.00 0.00 N ATOM 0 H LYS A 43 -6.803 11.328 -5.902 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.211 10.242 -6.248 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.050 10.946 -7.963 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.397 12.563 -7.794 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.323 11.634 -9.696 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.121 11.609 -8.420 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.900 9.454 -9.260 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.039 9.177 -7.958 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.566 9.925 -10.261 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.388 8.740 -10.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.416 7.683 -10.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.127 7.255 -9.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.268 8.403 -8.505 1.00 0.00 H new ATOM 657 N GLU A 44 -4.327 13.508 -5.658 1.00 0.00 N ATOM 658 CA GLU A 44 -3.533 14.636 -5.170 1.00 0.00 C ATOM 659 C GLU A 44 -2.941 14.339 -3.795 1.00 0.00 C ATOM 660 O GLU A 44 -1.811 14.728 -3.501 1.00 0.00 O ATOM 661 CB GLU A 44 -4.381 15.913 -5.105 1.00 0.00 C ATOM 662 CG GLU A 44 -5.806 15.681 -4.629 1.00 0.00 C ATOM 663 CD GLU A 44 -6.267 16.723 -3.627 1.00 0.00 C ATOM 664 OE1 GLU A 44 -5.697 16.775 -2.518 1.00 0.00 O ATOM 665 OE2 GLU A 44 -7.202 17.485 -3.953 1.00 0.00 O ATOM 0 H GLU A 44 -5.285 13.746 -5.916 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.716 14.790 -5.875 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.897 16.626 -4.438 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.408 16.370 -6.094 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.477 15.687 -5.488 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.877 14.692 -4.177 1.00 0.00 H new ATOM 672 N LEU A 45 -3.709 13.652 -2.957 1.00 0.00 N ATOM 673 CA LEU A 45 -3.253 13.307 -1.613 1.00 0.00 C ATOM 674 C LEU A 45 -2.091 12.321 -1.667 1.00 0.00 C ATOM 675 O LEU A 45 -1.001 12.604 -1.171 1.00 0.00 O ATOM 676 CB LEU A 45 -4.406 12.717 -0.797 1.00 0.00 C ATOM 677 CG LEU A 45 -5.174 13.727 0.058 1.00 0.00 C ATOM 678 CD1 LEU A 45 -6.539 13.175 0.443 1.00 0.00 C ATOM 679 CD2 LEU A 45 -4.373 14.092 1.299 1.00 0.00 C ATOM 0 H LEU A 45 -4.648 13.323 -3.182 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.905 14.219 -1.129 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.106 12.235 -1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.009 11.939 -0.145 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.326 14.632 -0.531 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.070 13.908 1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.115 12.966 -0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.412 12.255 1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.934 14.811 1.896 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.189 13.195 1.890 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.421 14.532 1.001 1.00 0.00 H new ATOM 691 N CYS A 46 -2.331 11.160 -2.269 1.00 0.00 N ATOM 692 CA CYS A 46 -1.305 10.130 -2.386 1.00 0.00 C ATOM 693 C CYS A 46 -0.027 10.693 -3.006 1.00 0.00 C ATOM 694 O CYS A 46 1.080 10.324 -2.614 1.00 0.00 O ATOM 695 CB CYS A 46 -1.824 8.962 -3.225 1.00 0.00 C ATOM 696 SG CYS A 46 -3.260 8.127 -2.512 1.00 0.00 S ATOM 0 H CYS A 46 -3.228 10.909 -2.684 1.00 0.00 H new ATOM 0 HA CYS A 46 -1.068 9.774 -1.383 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -2.085 9.329 -4.218 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -1.021 8.236 -3.355 1.00 0.00 H new ATOM 0 HG CYS A 46 -4.291 8.917 -2.565 1.00 0.00 H new ATOM 702 N GLN A 47 -0.189 11.586 -3.978 1.00 0.00 N ATOM 703 CA GLN A 47 0.950 12.196 -4.654 1.00 0.00 C ATOM 704 C GLN A 47 1.564 13.308 -3.805 1.00 0.00 C ATOM 705 O GLN A 47 2.781 13.363 -3.624 1.00 0.00 O ATOM 706 CB GLN A 47 0.522 12.750 -6.015 1.00 0.00 C ATOM 707 CG GLN A 47 0.860 11.831 -7.178 1.00 0.00 C ATOM 708 CD GLN A 47 -0.010 12.081 -8.393 1.00 0.00 C ATOM 709 OE1 GLN A 47 -0.992 11.376 -8.621 1.00 0.00 O ATOM 710 NE2 GLN A 47 0.349 13.086 -9.183 1.00 0.00 N ATOM 0 H GLN A 47 -1.098 11.903 -4.315 1.00 0.00 H new ATOM 0 HA GLN A 47 1.706 11.425 -4.803 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -0.553 12.928 -6.004 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.003 13.715 -6.173 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.906 11.967 -7.451 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.746 10.794 -6.862 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.171 13.645 -8.955 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -0.198 13.299 -10.017 1.00 0.00 H new ATOM 719 N SER A 48 0.715 14.192 -3.287 1.00 0.00 N ATOM 720 CA SER A 48 1.175 15.306 -2.459 1.00 0.00 C ATOM 721 C SER A 48 2.049 14.814 -1.307 1.00 0.00 C ATOM 722 O SER A 48 3.077 15.416 -0.994 1.00 0.00 O ATOM 723 CB SER A 48 -0.022 16.087 -1.910 1.00 0.00 C ATOM 724 OG SER A 48 -0.646 16.848 -2.929 1.00 0.00 O ATOM 0 H SER A 48 -0.295 14.159 -3.425 1.00 0.00 H new ATOM 0 HA SER A 48 1.776 15.964 -3.086 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.743 15.395 -1.476 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.308 16.748 -1.109 1.00 0.00 H new ATOM 0 HG SER A 48 -1.328 16.302 -3.374 1.00 0.00 H new ATOM 730 N HIS A 49 1.632 13.719 -0.678 1.00 0.00 N ATOM 731 CA HIS A 49 2.375 13.143 0.439 1.00 0.00 C ATOM 732 C HIS A 49 3.492 12.221 -0.051 1.00 0.00 C ATOM 733 O HIS A 49 4.354 11.809 0.725 1.00 0.00 O ATOM 734 CB HIS A 49 1.428 12.362 1.352 1.00 0.00 C ATOM 735 CG HIS A 49 1.171 13.026 2.668 1.00 0.00 C ATOM 736 ND1 HIS A 49 2.178 13.385 3.539 1.00 0.00 N ATOM 737 CD2 HIS A 49 0.012 13.384 3.269 1.00 0.00 C ATOM 738 CE1 HIS A 49 1.651 13.934 4.618 1.00 0.00 C ATOM 739 NE2 HIS A 49 0.338 13.946 4.479 1.00 0.00 N ATOM 0 H HIS A 49 0.782 13.212 -0.923 1.00 0.00 H new ATOM 0 HA HIS A 49 2.828 13.963 0.996 1.00 0.00 H new ATOM 0 HB2 HIS A 49 0.478 12.218 0.837 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.846 11.372 1.531 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.983 13.252 2.871 1.00 0.00 H new ATOM 0 HE1 HIS A 49 2.200 14.309 5.469 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -0.327 14.313 5.160 1.00 0.00 H new ATOM 748 N ASN A 50 3.467 11.894 -1.340 1.00 0.00 N ATOM 749 CA ASN A 50 4.471 11.015 -1.927 1.00 0.00 C ATOM 750 C ASN A 50 4.343 9.599 -1.375 1.00 0.00 C ATOM 751 O ASN A 50 5.343 8.953 -1.061 1.00 0.00 O ATOM 752 CB ASN A 50 5.880 11.558 -1.668 1.00 0.00 C ATOM 753 CG ASN A 50 6.882 11.085 -2.703 1.00 0.00 C ATOM 754 OD1 ASN A 50 7.221 11.815 -3.636 1.00 0.00 O ATOM 755 ND2 ASN A 50 7.365 9.858 -2.545 1.00 0.00 N ATOM 0 H ASN A 50 2.761 12.225 -1.998 1.00 0.00 H new ATOM 0 HA ASN A 50 4.301 10.982 -3.003 1.00 0.00 H new ATOM 0 HB2 ASN A 50 5.852 12.648 -1.666 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.210 11.245 -0.677 1.00 0.00 H new ATOM 0 HD21 ASN A 50 8.043 9.487 -3.210 1.00 0.00 H new ATOM 0 HD22 ASN A 50 7.058 9.286 -1.758 1.00 0.00 H new ATOM 762 N ILE A 51 3.106 9.117 -1.271 1.00 0.00 N ATOM 763 CA ILE A 51 2.846 7.771 -0.771 1.00 0.00 C ATOM 764 C ILE A 51 2.524 6.827 -1.924 1.00 0.00 C ATOM 765 O ILE A 51 1.405 6.828 -2.434 1.00 0.00 O ATOM 766 CB ILE A 51 1.665 7.731 0.223 1.00 0.00 C ATOM 767 CG1 ILE A 51 1.748 8.886 1.222 1.00 0.00 C ATOM 768 CG2 ILE A 51 1.640 6.397 0.954 1.00 0.00 C ATOM 769 CD1 ILE A 51 0.410 9.250 1.834 1.00 0.00 C ATOM 0 H ILE A 51 2.268 9.640 -1.527 1.00 0.00 H new ATOM 0 HA ILE A 51 3.752 7.456 -0.254 1.00 0.00 H new ATOM 0 HB ILE A 51 0.739 7.841 -0.342 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.443 8.619 2.018 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.160 9.762 0.720 1.00 0.00 H new ATOM 0 HG21 ILE A 51 0.803 6.380 1.652 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.526 5.588 0.232 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.573 6.265 1.502 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.542 10.076 2.533 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.281 9.548 1.046 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.006 8.388 2.364 1.00 0.00 H new ATOM 781 N PRO A 52 3.497 6.009 -2.361 1.00 0.00 N ATOM 782 CA PRO A 52 3.288 5.064 -3.464 1.00 0.00 C ATOM 783 C PRO A 52 2.088 4.154 -3.224 1.00 0.00 C ATOM 784 O PRO A 52 2.141 3.257 -2.384 1.00 0.00 O ATOM 785 CB PRO A 52 4.577 4.243 -3.477 1.00 0.00 C ATOM 786 CG PRO A 52 5.599 5.131 -2.860 1.00 0.00 C ATOM 787 CD PRO A 52 4.869 5.940 -1.826 1.00 0.00 C ATOM 0 HA PRO A 52 3.080 5.575 -4.404 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.463 3.318 -2.911 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.857 3.963 -4.492 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.400 4.548 -2.406 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.059 5.777 -3.608 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.896 5.461 -0.847 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.306 6.932 -1.708 1.00 0.00 H new ATOM 795 N VAL A 53 1.007 4.389 -3.966 1.00 0.00 N ATOM 796 CA VAL A 53 -0.202 3.584 -3.824 1.00 0.00 C ATOM 797 C VAL A 53 -1.000 3.540 -5.128 1.00 0.00 C ATOM 798 O VAL A 53 -0.840 4.399 -5.994 1.00 0.00 O ATOM 799 CB VAL A 53 -1.100 4.120 -2.684 1.00 0.00 C ATOM 800 CG1 VAL A 53 -0.274 4.369 -1.431 1.00 0.00 C ATOM 801 CG2 VAL A 53 -1.831 5.391 -3.097 1.00 0.00 C ATOM 0 H VAL A 53 0.945 5.127 -4.668 1.00 0.00 H new ATOM 0 HA VAL A 53 0.117 2.572 -3.576 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.851 3.360 -2.469 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.920 4.746 -0.638 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.189 3.436 -1.109 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.502 5.104 -1.647 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.452 5.738 -2.271 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.104 6.162 -3.354 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.461 5.184 -3.962 1.00 0.00 H new ATOM 811 N GLU A 54 -1.865 2.536 -5.259 1.00 0.00 N ATOM 812 CA GLU A 54 -2.689 2.388 -6.458 1.00 0.00 C ATOM 813 C GLU A 54 -4.171 2.303 -6.096 1.00 0.00 C ATOM 814 O GLU A 54 -4.598 1.382 -5.397 1.00 0.00 O ATOM 815 CB GLU A 54 -2.277 1.143 -7.246 1.00 0.00 C ATOM 816 CG GLU A 54 -0.778 0.880 -7.241 1.00 0.00 C ATOM 817 CD GLU A 54 -0.214 0.689 -8.635 1.00 0.00 C ATOM 818 OE1 GLU A 54 -0.941 0.162 -9.502 1.00 0.00 O ATOM 819 OE2 GLU A 54 0.956 1.067 -8.859 1.00 0.00 O ATOM 0 H GLU A 54 -2.014 1.815 -4.553 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.532 3.269 -7.080 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.790 0.276 -6.831 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.614 1.249 -8.277 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.268 1.714 -6.758 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.571 -0.009 -6.645 1.00 0.00 H new ATOM 826 N LEU A 55 -4.948 3.273 -6.566 1.00 0.00 N ATOM 827 CA LEU A 55 -6.379 3.314 -6.286 1.00 0.00 C ATOM 828 C LEU A 55 -7.177 2.543 -7.337 1.00 0.00 C ATOM 829 O LEU A 55 -7.189 2.900 -8.514 1.00 0.00 O ATOM 830 CB LEU A 55 -6.853 4.768 -6.226 1.00 0.00 C ATOM 831 CG LEU A 55 -8.223 4.981 -5.583 1.00 0.00 C ATOM 832 CD1 LEU A 55 -8.155 4.723 -4.084 1.00 0.00 C ATOM 833 CD2 LEU A 55 -8.726 6.390 -5.859 1.00 0.00 C ATOM 0 H LEU A 55 -4.610 4.043 -7.144 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.550 2.835 -5.322 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.116 5.351 -5.674 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.880 5.167 -7.240 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.924 4.272 -6.022 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.139 4.879 -3.643 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -7.836 3.696 -3.906 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.440 5.409 -3.629 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.703 6.525 -5.394 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.024 7.114 -5.446 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.812 6.541 -6.935 1.00 0.00 H new ATOM 845 N ILE A 56 -7.839 1.479 -6.896 1.00 0.00 N ATOM 846 CA ILE A 56 -8.643 0.645 -7.784 1.00 0.00 C ATOM 847 C ILE A 56 -10.132 0.884 -7.552 1.00 0.00 C ATOM 848 O ILE A 56 -10.546 1.220 -6.442 1.00 0.00 O ATOM 849 CB ILE A 56 -8.314 -0.850 -7.595 1.00 0.00 C ATOM 850 CG1 ILE A 56 -9.015 -1.699 -8.655 1.00 0.00 C ATOM 851 CG2 ILE A 56 -8.699 -1.321 -6.206 1.00 0.00 C ATOM 852 CD1 ILE A 56 -8.277 -2.980 -8.987 1.00 0.00 C ATOM 0 H ILE A 56 -7.835 1.172 -5.923 1.00 0.00 H new ATOM 0 HA ILE A 56 -8.397 0.925 -8.808 1.00 0.00 H new ATOM 0 HB ILE A 56 -7.237 -0.970 -7.711 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -10.018 -1.946 -8.306 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -9.130 -1.109 -9.564 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.456 -2.378 -6.100 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -8.149 -0.746 -5.461 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -9.769 -1.178 -6.057 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -8.831 -3.533 -9.746 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -7.284 -2.740 -9.366 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -8.185 -3.590 -8.089 1.00 0.00 H new ATOM 864 N GLN A 57 -10.935 0.707 -8.598 1.00 0.00 N ATOM 865 CA GLN A 57 -12.379 0.902 -8.505 1.00 0.00 C ATOM 866 C GLN A 57 -13.115 -0.370 -8.920 1.00 0.00 C ATOM 867 O GLN A 57 -12.746 -1.015 -9.902 1.00 0.00 O ATOM 868 CB GLN A 57 -12.808 2.064 -9.402 1.00 0.00 C ATOM 869 CG GLN A 57 -12.075 2.102 -10.735 1.00 0.00 C ATOM 870 CD GLN A 57 -10.874 3.029 -10.714 1.00 0.00 C ATOM 871 OE1 GLN A 57 -10.236 3.213 -9.678 1.00 0.00 O ATOM 872 NE2 GLN A 57 -10.560 3.614 -11.864 1.00 0.00 N ATOM 0 H GLN A 57 -10.608 0.428 -9.523 1.00 0.00 H new ATOM 0 HA GLN A 57 -12.633 1.134 -7.471 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -13.880 1.994 -9.587 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -12.637 3.003 -8.875 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -11.748 1.095 -10.994 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -12.764 2.424 -11.516 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -11.118 3.432 -12.698 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -9.761 4.246 -11.913 1.00 0.00 H new ATOM 881 N CYS A 58 -14.155 -0.733 -8.174 1.00 0.00 N ATOM 882 CA CYS A 58 -14.928 -1.933 -8.478 1.00 0.00 C ATOM 883 C CYS A 58 -16.282 -1.892 -7.773 1.00 0.00 C ATOM 884 O CYS A 58 -16.505 -1.057 -6.905 1.00 0.00 O ATOM 885 CB CYS A 58 -14.146 -3.178 -8.075 1.00 0.00 C ATOM 886 SG CYS A 58 -13.330 -4.004 -9.460 1.00 0.00 S ATOM 0 H CYS A 58 -14.481 -0.215 -7.358 1.00 0.00 H new ATOM 0 HA CYS A 58 -15.107 -1.970 -9.552 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -13.395 -2.901 -7.335 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -14.824 -3.882 -7.592 1.00 0.00 H new ATOM 0 HG CYS A 58 -12.566 -4.955 -9.009 1.00 0.00 H new ATOM 892 N ARG A 59 -17.190 -2.789 -8.150 1.00 0.00 N ATOM 893 CA ARG A 59 -18.518 -2.832 -7.544 1.00 0.00 C ATOM 894 C ARG A 59 -18.452 -3.314 -6.093 1.00 0.00 C ATOM 895 O ARG A 59 -17.383 -3.324 -5.483 1.00 0.00 O ATOM 896 CB ARG A 59 -19.428 -3.752 -8.364 1.00 0.00 C ATOM 897 CG ARG A 59 -19.666 -3.263 -9.783 1.00 0.00 C ATOM 898 CD ARG A 59 -18.694 -3.897 -10.767 1.00 0.00 C ATOM 899 NE ARG A 59 -19.103 -3.687 -12.154 1.00 0.00 N ATOM 900 CZ ARG A 59 -20.042 -4.403 -12.768 1.00 0.00 C ATOM 901 NH1 ARG A 59 -20.666 -5.382 -12.126 1.00 0.00 N ATOM 902 NH2 ARG A 59 -20.355 -4.142 -14.031 1.00 0.00 N ATOM 0 H ARG A 59 -17.031 -3.494 -8.870 1.00 0.00 H new ATOM 0 HA ARG A 59 -18.927 -1.822 -7.542 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -18.986 -4.748 -8.401 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -20.387 -3.848 -7.856 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -20.689 -3.495 -10.081 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -19.562 -2.178 -9.816 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -17.699 -3.478 -10.615 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -18.623 -4.966 -10.568 1.00 0.00 H new ATOM 0 HE ARG A 59 -18.641 -2.947 -12.683 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -20.427 -5.590 -11.156 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -21.385 -5.927 -12.602 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -19.876 -3.393 -14.531 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -21.075 -4.691 -14.502 1.00 0.00 H new ATOM 916 N VAL A 60 -19.599 -3.726 -5.553 1.00 0.00 N ATOM 917 CA VAL A 60 -19.669 -4.225 -4.179 1.00 0.00 C ATOM 918 C VAL A 60 -19.370 -5.723 -4.119 1.00 0.00 C ATOM 919 O VAL A 60 -19.229 -6.290 -3.035 1.00 0.00 O ATOM 920 CB VAL A 60 -21.049 -3.962 -3.534 1.00 0.00 C ATOM 921 CG1 VAL A 60 -21.114 -2.554 -2.963 1.00 0.00 C ATOM 922 CG2 VAL A 60 -22.177 -4.194 -4.532 1.00 0.00 C ATOM 0 H VAL A 60 -20.492 -3.724 -6.046 1.00 0.00 H new ATOM 0 HA VAL A 60 -18.912 -3.678 -3.617 1.00 0.00 H new ATOM 0 HB VAL A 60 -21.178 -4.671 -2.716 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -22.093 -2.388 -2.514 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -20.341 -2.433 -2.204 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -20.954 -1.830 -3.762 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -23.135 -4.001 -4.049 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -22.056 -3.521 -5.381 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -22.148 -5.226 -4.881 1.00 0.00 H new ATOM 932 N ASN A 61 -19.272 -6.362 -5.285 1.00 0.00 N ATOM 933 CA ASN A 61 -18.986 -7.793 -5.349 1.00 0.00 C ATOM 934 C ASN A 61 -17.855 -8.083 -6.334 1.00 0.00 C ATOM 935 O ASN A 61 -18.044 -8.772 -7.337 1.00 0.00 O ATOM 936 CB ASN A 61 -20.243 -8.576 -5.738 1.00 0.00 C ATOM 937 CG ASN A 61 -20.898 -9.232 -4.539 1.00 0.00 C ATOM 938 OD1 ASN A 61 -21.971 -8.820 -4.098 1.00 0.00 O ATOM 939 ND2 ASN A 61 -20.249 -10.259 -4.002 1.00 0.00 N ATOM 0 H ASN A 61 -19.386 -5.913 -6.194 1.00 0.00 H new ATOM 0 HA ASN A 61 -18.666 -8.116 -4.358 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -20.955 -7.904 -6.217 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -19.982 -9.339 -6.471 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -20.638 -10.740 -3.191 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -19.362 -10.567 -4.401 1.00 0.00 H new ATOM 946 N GLU A 62 -16.676 -7.555 -6.031 1.00 0.00 N ATOM 947 CA GLU A 62 -15.499 -7.754 -6.873 1.00 0.00 C ATOM 948 C GLU A 62 -14.214 -7.658 -6.055 1.00 0.00 C ATOM 949 O GLU A 62 -13.221 -8.316 -6.365 1.00 0.00 O ATOM 950 CB GLU A 62 -15.465 -6.727 -8.004 1.00 0.00 C ATOM 951 CG GLU A 62 -14.845 -7.261 -9.286 1.00 0.00 C ATOM 952 CD GLU A 62 -15.838 -7.363 -10.429 1.00 0.00 C ATOM 953 OE1 GLU A 62 -16.942 -6.793 -10.312 1.00 0.00 O ATOM 954 OE2 GLU A 62 -15.509 -8.014 -11.443 1.00 0.00 O ATOM 0 H GLU A 62 -16.507 -6.982 -5.204 1.00 0.00 H new ATOM 0 HA GLU A 62 -15.566 -8.754 -7.300 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -16.481 -6.393 -8.212 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -14.904 -5.853 -7.674 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -14.023 -6.610 -9.584 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -14.419 -8.246 -9.094 1.00 0.00 H new ATOM 961 N ILE A 63 -14.237 -6.829 -5.015 1.00 0.00 N ATOM 962 CA ILE A 63 -13.076 -6.639 -4.157 1.00 0.00 C ATOM 963 C ILE A 63 -12.539 -7.963 -3.656 1.00 0.00 C ATOM 964 O ILE A 63 -11.335 -8.117 -3.462 1.00 0.00 O ATOM 965 CB ILE A 63 -13.399 -5.744 -2.950 1.00 0.00 C ATOM 966 CG1 ILE A 63 -14.298 -4.578 -3.369 1.00 0.00 C ATOM 967 CG2 ILE A 63 -12.112 -5.231 -2.329 1.00 0.00 C ATOM 968 CD1 ILE A 63 -15.749 -4.768 -2.996 1.00 0.00 C ATOM 0 H ILE A 63 -15.052 -6.277 -4.747 1.00 0.00 H new ATOM 0 HA ILE A 63 -12.319 -6.149 -4.768 1.00 0.00 H new ATOM 0 HB ILE A 63 -13.936 -6.335 -2.208 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -13.930 -3.662 -2.907 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -14.224 -4.443 -4.448 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -12.348 -4.597 -1.474 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -11.506 -6.075 -1.999 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -11.557 -4.652 -3.067 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -16.325 -3.903 -3.324 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -16.134 -5.666 -3.480 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -15.836 -4.873 -1.915 1.00 0.00 H new ATOM 980 N GLU A 64 -13.430 -8.921 -3.461 1.00 0.00 N ATOM 981 CA GLU A 64 -13.026 -10.235 -2.995 1.00 0.00 C ATOM 982 C GLU A 64 -12.389 -11.032 -4.133 1.00 0.00 C ATOM 983 O GLU A 64 -11.546 -11.896 -3.897 1.00 0.00 O ATOM 984 CB GLU A 64 -14.224 -10.989 -2.408 1.00 0.00 C ATOM 985 CG GLU A 64 -15.239 -11.445 -3.446 1.00 0.00 C ATOM 986 CD GLU A 64 -15.588 -12.915 -3.312 1.00 0.00 C ATOM 987 OE1 GLU A 64 -14.689 -13.710 -2.967 1.00 0.00 O ATOM 988 OE2 GLU A 64 -16.762 -13.270 -3.551 1.00 0.00 O ATOM 0 H GLU A 64 -14.432 -8.814 -3.617 1.00 0.00 H new ATOM 0 HA GLU A 64 -12.283 -10.110 -2.207 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -13.860 -11.860 -1.864 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -14.725 -10.347 -1.683 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -16.147 -10.849 -3.348 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -14.842 -11.259 -4.444 1.00 0.00 H new ATOM 995 N THR A 65 -12.812 -10.747 -5.366 1.00 0.00 N ATOM 996 CA THR A 65 -12.287 -11.457 -6.532 1.00 0.00 C ATOM 997 C THR A 65 -10.927 -10.910 -6.957 1.00 0.00 C ATOM 998 O THR A 65 -10.004 -11.675 -7.236 1.00 0.00 O ATOM 999 CB THR A 65 -13.272 -11.342 -7.699 1.00 0.00 C ATOM 1000 OG1 THR A 65 -14.516 -10.827 -7.259 1.00 0.00 O ATOM 1001 CG2 THR A 65 -13.542 -12.659 -8.394 1.00 0.00 C ATOM 0 H THR A 65 -13.511 -10.036 -5.581 1.00 0.00 H new ATOM 0 HA THR A 65 -12.161 -12.504 -6.255 1.00 0.00 H new ATOM 0 HB THR A 65 -12.793 -10.668 -8.409 1.00 0.00 H new ATOM 0 HG1 THR A 65 -15.130 -10.760 -8.020 1.00 0.00 H new ATOM 0 HG21 THR A 65 -14.248 -12.502 -9.210 1.00 0.00 H new ATOM 0 HG22 THR A 65 -12.609 -13.058 -8.793 1.00 0.00 H new ATOM 0 HG23 THR A 65 -13.964 -13.367 -7.681 1.00 0.00 H new ATOM 1009 N TYR A 66 -10.801 -9.587 -6.990 1.00 0.00 N ATOM 1010 CA TYR A 66 -9.540 -8.951 -7.363 1.00 0.00 C ATOM 1011 C TYR A 66 -8.681 -8.674 -6.131 1.00 0.00 C ATOM 1012 O TYR A 66 -7.694 -7.945 -6.204 1.00 0.00 O ATOM 1013 CB TYR A 66 -9.783 -7.661 -8.154 1.00 0.00 C ATOM 1014 CG TYR A 66 -10.384 -6.540 -7.343 1.00 0.00 C ATOM 1015 CD1 TYR A 66 -9.618 -5.812 -6.442 1.00 0.00 C ATOM 1016 CD2 TYR A 66 -11.723 -6.210 -7.483 1.00 0.00 C ATOM 1017 CE1 TYR A 66 -10.173 -4.785 -5.702 1.00 0.00 C ATOM 1018 CE2 TYR A 66 -12.284 -5.187 -6.750 1.00 0.00 C ATOM 1019 CZ TYR A 66 -11.506 -4.476 -5.861 1.00 0.00 C ATOM 1020 OH TYR A 66 -12.068 -3.459 -5.124 1.00 0.00 O ATOM 0 H TYR A 66 -11.553 -8.936 -6.764 1.00 0.00 H new ATOM 0 HA TYR A 66 -8.998 -9.644 -8.007 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -8.836 -7.322 -8.574 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -10.443 -7.882 -8.993 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -8.572 -6.052 -6.318 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -12.337 -6.764 -8.178 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -9.566 -4.228 -5.004 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -13.329 -4.943 -6.871 1.00 0.00 H new ATOM 0 HH TYR A 66 -12.112 -2.646 -5.669 1.00 0.00 H new ATOM 1030 N MET A 67 -9.056 -9.267 -4.998 1.00 0.00 N ATOM 1031 CA MET A 67 -8.312 -9.080 -3.756 1.00 0.00 C ATOM 1032 C MET A 67 -7.006 -9.875 -3.768 1.00 0.00 C ATOM 1033 O MET A 67 -6.724 -10.637 -2.843 1.00 0.00 O ATOM 1034 CB MET A 67 -9.168 -9.490 -2.553 1.00 0.00 C ATOM 1035 CG MET A 67 -9.336 -8.385 -1.522 1.00 0.00 C ATOM 1036 SD MET A 67 -8.128 -8.487 -0.185 1.00 0.00 S ATOM 1037 CE MET A 67 -8.635 -10.004 0.622 1.00 0.00 C ATOM 0 H MET A 67 -9.868 -9.879 -4.916 1.00 0.00 H new ATOM 0 HA MET A 67 -8.065 -8.022 -3.671 1.00 0.00 H new ATOM 0 HB2 MET A 67 -10.152 -9.799 -2.906 1.00 0.00 H new ATOM 0 HB3 MET A 67 -8.714 -10.357 -2.073 1.00 0.00 H new ATOM 0 HG2 MET A 67 -9.245 -7.417 -2.015 1.00 0.00 H new ATOM 0 HG3 MET A 67 -10.341 -8.435 -1.102 1.00 0.00 H new ATOM 0 HE1 MET A 67 -8.479 -9.914 1.697 1.00 0.00 H new ATOM 0 HE2 MET A 67 -9.691 -10.187 0.423 1.00 0.00 H new ATOM 0 HE3 MET A 67 -8.044 -10.836 0.238 1.00 0.00 H new ATOM 1047 N ASP A 68 -6.212 -9.693 -4.817 1.00 0.00 N ATOM 1048 CA ASP A 68 -4.943 -10.395 -4.940 1.00 0.00 C ATOM 1049 C ASP A 68 -3.890 -9.766 -4.036 1.00 0.00 C ATOM 1050 O ASP A 68 -3.139 -10.467 -3.358 1.00 0.00 O ATOM 1051 CB ASP A 68 -4.470 -10.371 -6.395 1.00 0.00 C ATOM 1052 CG ASP A 68 -4.239 -11.760 -6.960 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -4.382 -12.743 -6.203 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -3.918 -11.864 -8.162 1.00 0.00 O ATOM 0 H ASP A 68 -6.425 -9.066 -5.593 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.089 -11.430 -4.630 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.211 -9.854 -7.005 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.545 -9.798 -6.463 1.00 0.00 H new ATOM 1059 N GLY A 69 -3.841 -8.438 -4.031 1.00 0.00 N ATOM 1060 CA GLY A 69 -2.876 -7.735 -3.208 1.00 0.00 C ATOM 1061 C GLY A 69 -3.358 -6.360 -2.791 1.00 0.00 C ATOM 1062 O GLY A 69 -2.731 -5.351 -3.117 1.00 0.00 O ATOM 0 H GLY A 69 -4.453 -7.836 -4.583 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.664 -8.327 -2.318 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.939 -7.637 -3.757 1.00 0.00 H new ATOM 1066 N VAL A 70 -4.472 -6.317 -2.069 1.00 0.00 N ATOM 1067 CA VAL A 70 -5.034 -5.056 -1.605 1.00 0.00 C ATOM 1068 C VAL A 70 -4.601 -4.760 -0.175 1.00 0.00 C ATOM 1069 O VAL A 70 -4.717 -5.609 0.707 1.00 0.00 O ATOM 1070 CB VAL A 70 -6.572 -5.057 -1.665 1.00 0.00 C ATOM 1071 CG1 VAL A 70 -7.111 -3.640 -1.570 1.00 0.00 C ATOM 1072 CG2 VAL A 70 -7.063 -5.737 -2.932 1.00 0.00 C ATOM 0 H VAL A 70 -5.004 -7.142 -1.793 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.655 -4.283 -2.274 1.00 0.00 H new ATOM 0 HB VAL A 70 -6.946 -5.623 -0.812 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.200 -3.661 -1.614 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.795 -3.193 -0.628 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.726 -3.048 -2.400 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.153 -5.726 -2.952 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.678 -5.206 -3.803 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.711 -6.768 -2.951 1.00 0.00 H new ATOM 1082 N HIS A 71 -4.105 -3.550 0.046 1.00 0.00 N ATOM 1083 CA HIS A 71 -3.658 -3.142 1.371 1.00 0.00 C ATOM 1084 C HIS A 71 -4.780 -2.452 2.138 1.00 0.00 C ATOM 1085 O HIS A 71 -4.799 -2.468 3.370 1.00 0.00 O ATOM 1086 CB HIS A 71 -2.458 -2.201 1.257 1.00 0.00 C ATOM 1087 CG HIS A 71 -1.688 -2.057 2.533 1.00 0.00 C ATOM 1088 ND1 HIS A 71 -2.183 -1.406 3.643 1.00 0.00 N ATOM 1089 CD2 HIS A 71 -0.451 -2.489 2.876 1.00 0.00 C ATOM 1090 CE1 HIS A 71 -1.287 -1.441 4.612 1.00 0.00 C ATOM 1091 NE2 HIS A 71 -0.227 -2.094 4.172 1.00 0.00 N ATOM 0 H HIS A 71 -4.002 -2.835 -0.674 1.00 0.00 H new ATOM 0 HA HIS A 71 -3.364 -4.038 1.918 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.790 -2.570 0.479 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -2.806 -1.218 0.939 1.00 0.00 H new ATOM 0 HD2 HIS A 71 0.232 -3.041 2.247 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -1.401 -1.010 5.596 1.00 0.00 H new ATOM 0 HE2 HIS A 71 0.621 -2.276 4.708 1.00 0.00 H new ATOM 1100 N LEU A 72 -5.724 -1.859 1.408 1.00 0.00 N ATOM 1101 CA LEU A 72 -6.855 -1.168 2.024 1.00 0.00 C ATOM 1102 C LEU A 72 -8.084 -1.235 1.115 1.00 0.00 C ATOM 1103 O LEU A 72 -7.966 -1.192 -0.109 1.00 0.00 O ATOM 1104 CB LEU A 72 -6.507 0.302 2.301 1.00 0.00 C ATOM 1105 CG LEU A 72 -5.247 0.547 3.148 1.00 0.00 C ATOM 1106 CD1 LEU A 72 -4.348 1.586 2.493 1.00 0.00 C ATOM 1107 CD2 LEU A 72 -5.620 0.982 4.562 1.00 0.00 C ATOM 0 H LEU A 72 -5.727 -1.844 0.388 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.078 -1.666 2.968 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.384 0.812 1.346 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -7.355 0.767 2.804 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.697 -0.392 3.211 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.463 1.743 3.110 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -4.045 1.235 1.507 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.891 2.526 2.392 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.713 1.149 5.142 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.198 1.905 4.518 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.216 0.203 5.037 1.00 0.00 H new ATOM 1119 N ILE A 73 -9.267 -1.342 1.710 1.00 0.00 N ATOM 1120 CA ILE A 73 -10.497 -1.409 0.929 1.00 0.00 C ATOM 1121 C ILE A 73 -11.524 -0.389 1.425 1.00 0.00 C ATOM 1122 O ILE A 73 -11.652 -0.152 2.625 1.00 0.00 O ATOM 1123 CB ILE A 73 -11.102 -2.841 0.945 1.00 0.00 C ATOM 1124 CG1 ILE A 73 -12.633 -2.821 0.788 1.00 0.00 C ATOM 1125 CG2 ILE A 73 -10.712 -3.577 2.217 1.00 0.00 C ATOM 1126 CD1 ILE A 73 -13.290 -4.177 0.950 1.00 0.00 C ATOM 0 H ILE A 73 -9.400 -1.384 2.720 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.240 -1.162 -0.101 1.00 0.00 H new ATOM 0 HB ILE A 73 -10.689 -3.373 0.088 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -13.054 -2.135 1.523 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -12.881 -2.424 -0.196 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -11.146 -4.577 2.207 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.626 -3.654 2.275 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -11.083 -3.029 3.083 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -14.368 -4.076 0.825 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -12.900 -4.863 0.198 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -13.075 -4.569 1.944 1.00 0.00 H new ATOM 1138 N CYS A 74 -12.251 0.216 0.487 1.00 0.00 N ATOM 1139 CA CYS A 74 -13.262 1.209 0.824 1.00 0.00 C ATOM 1140 C CYS A 74 -14.605 0.857 0.192 1.00 0.00 C ATOM 1141 O CYS A 74 -14.777 0.964 -1.023 1.00 0.00 O ATOM 1142 CB CYS A 74 -12.817 2.596 0.359 1.00 0.00 C ATOM 1143 SG CYS A 74 -11.550 3.353 1.404 1.00 0.00 S ATOM 0 H CYS A 74 -12.156 0.034 -0.512 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.381 1.215 1.907 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.436 2.521 -0.659 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -13.686 3.253 0.327 1.00 0.00 H new ATOM 0 HG CYS A 74 -11.237 4.522 0.929 1.00 0.00 H new ATOM 1149 N THR A 75 -15.560 0.443 1.021 1.00 0.00 N ATOM 1150 CA THR A 75 -16.888 0.081 0.540 1.00 0.00 C ATOM 1151 C THR A 75 -17.962 0.880 1.275 1.00 0.00 C ATOM 1152 O THR A 75 -17.867 1.096 2.484 1.00 0.00 O ATOM 1153 CB THR A 75 -17.129 -1.420 0.728 1.00 0.00 C ATOM 1154 OG1 THR A 75 -16.164 -1.973 1.609 1.00 0.00 O ATOM 1155 CG2 THR A 75 -17.080 -2.198 -0.572 1.00 0.00 C ATOM 0 H THR A 75 -15.438 0.350 2.029 1.00 0.00 H new ATOM 0 HA THR A 75 -16.945 0.318 -0.522 1.00 0.00 H new ATOM 0 HB THR A 75 -18.133 -1.509 1.143 1.00 0.00 H new ATOM 0 HG1 THR A 75 -16.333 -2.932 1.719 1.00 0.00 H new ATOM 0 HG21 THR A 75 -17.258 -3.254 -0.371 1.00 0.00 H new ATOM 0 HG22 THR A 75 -17.847 -1.823 -1.249 1.00 0.00 H new ATOM 0 HG23 THR A 75 -16.099 -2.077 -1.032 1.00 0.00 H new ATOM 1163 N THR A 76 -18.979 1.318 0.541 1.00 0.00 N ATOM 1164 CA THR A 76 -20.066 2.094 1.129 1.00 0.00 C ATOM 1165 C THR A 76 -21.279 1.208 1.402 1.00 0.00 C ATOM 1166 O THR A 76 -22.351 1.406 0.828 1.00 0.00 O ATOM 1167 CB THR A 76 -20.450 3.254 0.205 1.00 0.00 C ATOM 1168 OG1 THR A 76 -19.973 3.028 -1.110 1.00 0.00 O ATOM 1169 CG2 THR A 76 -19.906 4.590 0.667 1.00 0.00 C ATOM 0 H THR A 76 -19.074 1.150 -0.461 1.00 0.00 H new ATOM 0 HA THR A 76 -19.721 2.502 2.079 1.00 0.00 H new ATOM 0 HB THR A 76 -21.539 3.294 0.228 1.00 0.00 H new ATOM 0 HG1 THR A 76 -20.230 3.779 -1.685 1.00 0.00 H new ATOM 0 HG21 THR A 76 -20.214 5.369 -0.031 1.00 0.00 H new ATOM 0 HG22 THR A 76 -20.295 4.818 1.660 1.00 0.00 H new ATOM 0 HG23 THR A 76 -18.818 4.546 0.705 1.00 0.00 H new ATOM 1177 N ALA A 77 -21.102 0.228 2.282 1.00 0.00 N ATOM 1178 CA ALA A 77 -22.179 -0.690 2.634 1.00 0.00 C ATOM 1179 C ALA A 77 -21.958 -1.295 4.017 1.00 0.00 C ATOM 1180 O ALA A 77 -20.839 -1.670 4.370 1.00 0.00 O ATOM 1181 CB ALA A 77 -22.298 -1.787 1.584 1.00 0.00 C ATOM 0 H ALA A 77 -20.222 0.049 2.765 1.00 0.00 H new ATOM 0 HA ALA A 77 -23.111 -0.126 2.662 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -23.105 -2.466 1.857 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -22.513 -1.340 0.613 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -21.361 -2.341 1.529 1.00 0.00 H new ATOM 1187 N ARG A 78 -23.030 -1.386 4.797 1.00 0.00 N ATOM 1188 CA ARG A 78 -22.952 -1.944 6.142 1.00 0.00 C ATOM 1189 C ARG A 78 -22.681 -3.446 6.093 1.00 0.00 C ATOM 1190 O ARG A 78 -23.600 -4.259 6.195 1.00 0.00 O ATOM 1191 CB ARG A 78 -24.247 -1.665 6.911 1.00 0.00 C ATOM 1192 CG ARG A 78 -24.025 -0.937 8.227 1.00 0.00 C ATOM 1193 CD ARG A 78 -25.338 -0.659 8.943 1.00 0.00 C ATOM 1194 NE ARG A 78 -25.854 0.676 8.643 1.00 0.00 N ATOM 1195 CZ ARG A 78 -26.616 1.385 9.475 1.00 0.00 C ATOM 1196 NH1 ARG A 78 -26.968 0.891 10.656 1.00 0.00 N ATOM 1197 NH2 ARG A 78 -27.031 2.594 9.123 1.00 0.00 N ATOM 0 H ARG A 78 -23.963 -1.080 4.521 1.00 0.00 H new ATOM 0 HA ARG A 78 -22.123 -1.463 6.662 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -24.912 -1.071 6.284 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -24.754 -2.610 7.108 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -23.379 -1.535 8.870 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -23.506 0.003 8.040 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -26.075 -1.407 8.651 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -25.192 -0.758 10.019 1.00 0.00 H new ATOM 0 HE ARG A 78 -25.616 1.090 7.742 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -26.655 -0.039 10.934 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -27.552 1.442 11.286 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -26.767 2.980 8.217 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -27.614 3.138 9.759 1.00 0.00 H new ATOM 1211 N VAL A 79 -21.410 -3.806 5.934 1.00 0.00 N ATOM 1212 CA VAL A 79 -21.011 -5.209 5.870 1.00 0.00 C ATOM 1213 C VAL A 79 -20.903 -5.814 7.269 1.00 0.00 C ATOM 1214 O VAL A 79 -21.226 -5.160 8.261 1.00 0.00 O ATOM 1215 CB VAL A 79 -19.666 -5.377 5.135 1.00 0.00 C ATOM 1216 CG1 VAL A 79 -19.832 -5.089 3.650 1.00 0.00 C ATOM 1217 CG2 VAL A 79 -18.601 -4.476 5.744 1.00 0.00 C ATOM 0 H VAL A 79 -20.638 -3.145 5.847 1.00 0.00 H new ATOM 0 HA VAL A 79 -21.785 -5.736 5.312 1.00 0.00 H new ATOM 0 HB VAL A 79 -19.339 -6.410 5.250 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -18.873 -5.212 3.146 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -20.558 -5.782 3.224 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -20.184 -4.066 3.515 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -17.661 -4.611 5.209 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -18.916 -3.436 5.666 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -18.462 -4.735 6.794 1.00 0.00 H new ATOM 1227 N ASP A 80 -20.453 -7.064 7.346 1.00 0.00 N ATOM 1228 CA ASP A 80 -20.312 -7.746 8.629 1.00 0.00 C ATOM 1229 C ASP A 80 -18.892 -7.606 9.173 1.00 0.00 C ATOM 1230 O ASP A 80 -18.663 -7.731 10.377 1.00 0.00 O ATOM 1231 CB ASP A 80 -20.667 -9.228 8.479 1.00 0.00 C ATOM 1232 CG ASP A 80 -21.008 -9.881 9.804 1.00 0.00 C ATOM 1233 OD1 ASP A 80 -20.371 -9.533 10.821 1.00 0.00 O ATOM 1234 OD2 ASP A 80 -21.910 -10.745 9.824 1.00 0.00 O ATOM 0 H ASP A 80 -20.181 -7.623 6.538 1.00 0.00 H new ATOM 0 HA ASP A 80 -20.998 -7.280 9.336 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -21.514 -9.328 7.800 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -19.829 -9.755 8.023 1.00 0.00 H new ATOM 1239 N ARG A 81 -17.943 -7.346 8.278 1.00 0.00 N ATOM 1240 CA ARG A 81 -16.543 -7.187 8.663 1.00 0.00 C ATOM 1241 C ARG A 81 -16.080 -8.336 9.558 1.00 0.00 C ATOM 1242 O ARG A 81 -15.428 -8.116 10.579 1.00 0.00 O ATOM 1243 CB ARG A 81 -16.337 -5.854 9.383 1.00 0.00 C ATOM 1244 CG ARG A 81 -14.935 -5.293 9.217 1.00 0.00 C ATOM 1245 CD ARG A 81 -14.859 -3.837 9.649 1.00 0.00 C ATOM 1246 NE ARG A 81 -13.638 -3.557 10.400 1.00 0.00 N ATOM 1247 CZ ARG A 81 -13.484 -3.837 11.692 1.00 0.00 C ATOM 1248 NH1 ARG A 81 -14.475 -4.389 12.380 1.00 0.00 N ATOM 1249 NH2 ARG A 81 -12.336 -3.564 12.297 1.00 0.00 N ATOM 0 H ARG A 81 -18.118 -7.241 7.279 1.00 0.00 H new ATOM 0 HA ARG A 81 -15.945 -7.200 7.752 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -17.058 -5.129 9.005 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -16.545 -5.986 10.445 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -14.234 -5.885 9.806 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -14.629 -5.380 8.175 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -14.900 -3.194 8.770 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -15.727 -3.594 10.262 1.00 0.00 H new ATOM 0 HE ARG A 81 -12.859 -3.122 9.906 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -15.360 -4.601 11.919 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -14.352 -4.602 13.370 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -11.571 -3.140 11.772 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -12.218 -3.778 13.287 1.00 0.00 H new ATOM 1263 N SER A 82 -16.418 -9.559 9.168 1.00 0.00 N ATOM 1264 CA SER A 82 -16.033 -10.738 9.937 1.00 0.00 C ATOM 1265 C SER A 82 -15.447 -11.824 9.035 1.00 0.00 C ATOM 1266 O SER A 82 -15.108 -12.910 9.503 1.00 0.00 O ATOM 1267 CB SER A 82 -17.239 -11.294 10.698 1.00 0.00 C ATOM 1268 OG SER A 82 -17.774 -10.328 11.586 1.00 0.00 O ATOM 0 H SER A 82 -16.957 -9.761 8.326 1.00 0.00 H new ATOM 0 HA SER A 82 -15.266 -10.433 10.649 1.00 0.00 H new ATOM 0 HB2 SER A 82 -18.007 -11.606 9.990 1.00 0.00 H new ATOM 0 HB3 SER A 82 -16.942 -12.181 11.257 1.00 0.00 H new ATOM 0 HG SER A 82 -18.673 -10.074 11.290 1.00 0.00 H new ATOM 1274 N PHE A 83 -15.328 -11.530 7.742 1.00 0.00 N ATOM 1275 CA PHE A 83 -14.781 -12.490 6.790 1.00 0.00 C ATOM 1276 C PHE A 83 -13.287 -12.262 6.581 1.00 0.00 C ATOM 1277 O PHE A 83 -12.883 -11.390 5.812 1.00 0.00 O ATOM 1278 CB PHE A 83 -15.524 -12.416 5.450 1.00 0.00 C ATOM 1279 CG PHE A 83 -15.573 -11.042 4.839 1.00 0.00 C ATOM 1280 CD1 PHE A 83 -16.458 -10.085 5.312 1.00 0.00 C ATOM 1281 CD2 PHE A 83 -14.740 -10.712 3.782 1.00 0.00 C ATOM 1282 CE1 PHE A 83 -16.509 -8.826 4.745 1.00 0.00 C ATOM 1283 CE2 PHE A 83 -14.788 -9.455 3.210 1.00 0.00 C ATOM 1284 CZ PHE A 83 -15.673 -8.510 3.693 1.00 0.00 C ATOM 0 H PHE A 83 -15.602 -10.637 7.332 1.00 0.00 H new ATOM 0 HA PHE A 83 -14.921 -13.487 7.207 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -15.045 -13.096 4.746 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -16.544 -12.772 5.594 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -17.116 -10.327 6.134 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -14.045 -11.446 3.401 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -17.202 -8.090 5.125 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -14.134 -9.211 2.386 1.00 0.00 H new ATOM 0 HZ PHE A 83 -15.711 -7.526 3.248 1.00 0.00 H new ATOM 1294 N GLY A 84 -12.474 -13.053 7.277 1.00 0.00 N ATOM 1295 CA GLY A 84 -11.032 -12.928 7.161 1.00 0.00 C ATOM 1296 C GLY A 84 -10.484 -11.759 7.954 1.00 0.00 C ATOM 1297 O GLY A 84 -10.612 -11.716 9.178 1.00 0.00 O ATOM 0 H GLY A 84 -12.789 -13.779 7.920 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.562 -13.849 7.506 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.764 -12.808 6.111 1.00 0.00 H new ATOM 1301 N ASP A 85 -9.875 -10.805 7.258 1.00 0.00 N ATOM 1302 CA ASP A 85 -9.310 -9.627 7.903 1.00 0.00 C ATOM 1303 C ASP A 85 -9.215 -8.475 6.914 1.00 0.00 C ATOM 1304 O ASP A 85 -8.366 -7.597 7.048 1.00 0.00 O ATOM 1305 CB ASP A 85 -7.930 -9.943 8.479 1.00 0.00 C ATOM 1306 CG ASP A 85 -7.931 -9.970 9.995 1.00 0.00 C ATOM 1307 OD1 ASP A 85 -8.814 -10.635 10.576 1.00 0.00 O ATOM 1308 OD2 ASP A 85 -7.051 -9.324 10.601 1.00 0.00 O ATOM 0 H ASP A 85 -9.760 -10.825 6.245 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.969 -9.333 8.720 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -7.593 -10.908 8.101 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.215 -9.198 8.132 1.00 0.00 H new ATOM 1313 N ILE A 86 -10.098 -8.488 5.925 1.00 0.00 N ATOM 1314 CA ILE A 86 -10.130 -7.452 4.907 1.00 0.00 C ATOM 1315 C ILE A 86 -10.274 -6.063 5.539 1.00 0.00 C ATOM 1316 O ILE A 86 -11.355 -5.687 5.990 1.00 0.00 O ATOM 1317 CB ILE A 86 -11.298 -7.692 3.933 1.00 0.00 C ATOM 1318 CG1 ILE A 86 -11.192 -6.760 2.731 1.00 0.00 C ATOM 1319 CG2 ILE A 86 -12.626 -7.492 4.647 1.00 0.00 C ATOM 1320 CD1 ILE A 86 -11.366 -7.452 1.399 1.00 0.00 C ATOM 0 H ILE A 86 -10.807 -9.212 5.808 1.00 0.00 H new ATOM 0 HA ILE A 86 -9.187 -7.494 4.362 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.247 -8.720 3.574 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -11.945 -5.978 2.823 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.219 -6.269 2.749 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -13.444 -7.664 3.948 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -12.703 -8.195 5.476 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -12.684 -6.473 5.029 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.277 -6.721 0.595 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.597 -8.215 1.282 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -12.350 -7.919 1.357 1.00 0.00 H new ATOM 1332 N PRO A 87 -9.185 -5.280 5.588 1.00 0.00 N ATOM 1333 CA PRO A 87 -9.214 -3.936 6.178 1.00 0.00 C ATOM 1334 C PRO A 87 -10.070 -2.957 5.372 1.00 0.00 C ATOM 1335 O PRO A 87 -9.540 -2.104 4.659 1.00 0.00 O ATOM 1336 CB PRO A 87 -7.744 -3.503 6.154 1.00 0.00 C ATOM 1337 CG PRO A 87 -7.124 -4.315 5.069 1.00 0.00 C ATOM 1338 CD PRO A 87 -7.842 -5.635 5.085 1.00 0.00 C ATOM 0 HA PRO A 87 -9.656 -3.943 7.174 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -7.649 -2.436 5.952 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -7.261 -3.690 7.113 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -7.231 -3.823 4.102 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -6.056 -4.448 5.242 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -7.889 -6.081 4.091 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -7.346 -6.356 5.735 1.00 0.00 H new ATOM 1346 N LEU A 88 -11.395 -3.082 5.478 1.00 0.00 N ATOM 1347 CA LEU A 88 -12.294 -2.197 4.740 1.00 0.00 C ATOM 1348 C LEU A 88 -12.811 -1.060 5.598 1.00 0.00 C ATOM 1349 O LEU A 88 -12.843 -1.146 6.825 1.00 0.00 O ATOM 1350 CB LEU A 88 -13.474 -2.962 4.133 1.00 0.00 C ATOM 1351 CG LEU A 88 -14.088 -4.067 4.998 1.00 0.00 C ATOM 1352 CD1 LEU A 88 -14.771 -3.483 6.227 1.00 0.00 C ATOM 1353 CD2 LEU A 88 -15.079 -4.880 4.176 1.00 0.00 C ATOM 0 H LEU A 88 -11.862 -3.778 6.059 1.00 0.00 H new ATOM 0 HA LEU A 88 -11.699 -1.772 3.931 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -14.257 -2.244 3.889 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -13.146 -3.407 3.193 1.00 0.00 H new ATOM 0 HG LEU A 88 -13.286 -4.722 5.339 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -15.198 -4.289 6.823 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -14.041 -2.938 6.824 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -15.564 -2.804 5.914 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -15.511 -5.664 4.798 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -15.872 -4.227 3.812 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -14.564 -5.332 3.328 1.00 0.00 H new ATOM 1365 N VAL A 89 -13.216 0.011 4.928 1.00 0.00 N ATOM 1366 CA VAL A 89 -13.738 1.187 5.610 1.00 0.00 C ATOM 1367 C VAL A 89 -14.832 1.861 4.789 1.00 0.00 C ATOM 1368 O VAL A 89 -14.877 1.730 3.565 1.00 0.00 O ATOM 1369 CB VAL A 89 -12.619 2.206 5.913 1.00 0.00 C ATOM 1370 CG1 VAL A 89 -11.519 1.554 6.735 1.00 0.00 C ATOM 1371 CG2 VAL A 89 -12.049 2.799 4.628 1.00 0.00 C ATOM 0 H VAL A 89 -13.193 0.089 3.911 1.00 0.00 H new ATOM 0 HA VAL A 89 -14.164 0.844 6.553 1.00 0.00 H new ATOM 0 HB VAL A 89 -13.052 3.021 6.492 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -10.737 2.285 6.941 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -11.934 1.192 7.676 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -11.096 0.717 6.179 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -11.263 3.513 4.874 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -11.634 2.001 4.012 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -12.842 3.307 4.079 1.00 0.00 H new ATOM 1381 N HIS A 90 -15.714 2.582 5.474 1.00 0.00 N ATOM 1382 CA HIS A 90 -16.813 3.279 4.815 1.00 0.00 C ATOM 1383 C HIS A 90 -16.362 4.638 4.289 1.00 0.00 C ATOM 1384 O HIS A 90 -15.479 5.276 4.863 1.00 0.00 O ATOM 1385 CB HIS A 90 -17.982 3.449 5.788 1.00 0.00 C ATOM 1386 CG HIS A 90 -18.650 2.157 6.143 1.00 0.00 C ATOM 1387 ND1 HIS A 90 -19.511 2.020 7.212 1.00 0.00 N ATOM 1388 CD2 HIS A 90 -18.576 0.935 5.565 1.00 0.00 C ATOM 1389 CE1 HIS A 90 -19.936 0.771 7.277 1.00 0.00 C ATOM 1390 NE2 HIS A 90 -19.384 0.092 6.288 1.00 0.00 N ATOM 0 H HIS A 90 -15.689 2.699 6.487 1.00 0.00 H new ATOM 0 HA HIS A 90 -17.139 2.679 3.965 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -17.621 3.926 6.699 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -18.718 4.121 5.347 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -17.990 0.672 4.697 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -20.618 0.373 8.013 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -19.533 -0.898 6.093 1.00 0.00 H new ATOM 1399 N GLY A 91 -16.975 5.075 3.192 1.00 0.00 N ATOM 1400 CA GLY A 91 -16.624 6.356 2.604 1.00 0.00 C ATOM 1401 C GLY A 91 -17.783 7.337 2.609 1.00 0.00 C ATOM 1402 O GLY A 91 -17.746 8.351 1.914 1.00 0.00 O ATOM 0 H GLY A 91 -17.708 4.565 2.700 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -15.786 6.786 3.153 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -16.288 6.201 1.579 1.00 0.00 H new ATOM 1406 N MET A 92 -18.810 7.037 3.402 1.00 0.00 N ATOM 1407 CA MET A 92 -19.978 7.901 3.501 1.00 0.00 C ATOM 1408 C MET A 92 -19.589 9.340 3.868 1.00 0.00 C ATOM 1409 O MET A 92 -20.144 10.289 3.312 1.00 0.00 O ATOM 1410 CB MET A 92 -20.973 7.345 4.524 1.00 0.00 C ATOM 1411 CG MET A 92 -21.226 5.852 4.378 1.00 0.00 C ATOM 1412 SD MET A 92 -22.894 5.376 4.873 1.00 0.00 S ATOM 1413 CE MET A 92 -23.882 6.440 3.822 1.00 0.00 C ATOM 0 H MET A 92 -18.854 6.201 3.985 1.00 0.00 H new ATOM 0 HA MET A 92 -20.453 7.923 2.520 1.00 0.00 H new ATOM 0 HB2 MET A 92 -20.599 7.545 5.528 1.00 0.00 H new ATOM 0 HB3 MET A 92 -21.919 7.877 4.424 1.00 0.00 H new ATOM 0 HG2 MET A 92 -21.062 5.560 3.341 1.00 0.00 H new ATOM 0 HG3 MET A 92 -20.502 5.304 4.982 1.00 0.00 H new ATOM 0 HE1 MET A 92 -24.822 5.943 3.582 1.00 0.00 H new ATOM 0 HE2 MET A 92 -24.089 7.375 4.343 1.00 0.00 H new ATOM 0 HE3 MET A 92 -23.337 6.650 2.902 1.00 0.00 H new ATOM 1423 N PRO A 93 -18.639 9.536 4.811 1.00 0.00 N ATOM 1424 CA PRO A 93 -18.214 10.881 5.224 1.00 0.00 C ATOM 1425 C PRO A 93 -17.347 11.574 4.173 1.00 0.00 C ATOM 1426 O PRO A 93 -17.382 12.795 4.036 1.00 0.00 O ATOM 1427 CB PRO A 93 -17.412 10.622 6.499 1.00 0.00 C ATOM 1428 CG PRO A 93 -16.871 9.246 6.328 1.00 0.00 C ATOM 1429 CD PRO A 93 -17.913 8.482 5.555 1.00 0.00 C ATOM 0 HA PRO A 93 -19.064 11.549 5.366 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -16.611 11.351 6.618 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -18.042 10.693 7.385 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.922 9.264 5.791 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -16.682 8.779 7.294 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -17.459 7.756 4.881 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -18.578 7.929 6.218 1.00 0.00 H new ATOM 1437 N PHE A 94 -16.572 10.791 3.432 1.00 0.00 N ATOM 1438 CA PHE A 94 -15.701 11.334 2.394 1.00 0.00 C ATOM 1439 C PHE A 94 -16.526 12.047 1.327 1.00 0.00 C ATOM 1440 O PHE A 94 -16.101 13.056 0.766 1.00 0.00 O ATOM 1441 CB PHE A 94 -14.873 10.215 1.755 1.00 0.00 C ATOM 1442 CG PHE A 94 -13.427 10.574 1.553 1.00 0.00 C ATOM 1443 CD1 PHE A 94 -13.066 11.832 1.099 1.00 0.00 C ATOM 1444 CD2 PHE A 94 -12.427 9.649 1.817 1.00 0.00 C ATOM 1445 CE1 PHE A 94 -11.737 12.162 0.913 1.00 0.00 C ATOM 1446 CE2 PHE A 94 -11.097 9.975 1.633 1.00 0.00 C ATOM 1447 CZ PHE A 94 -10.752 11.233 1.180 1.00 0.00 C ATOM 0 H PHE A 94 -16.528 9.777 3.530 1.00 0.00 H new ATOM 0 HA PHE A 94 -15.024 12.054 2.854 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -14.933 9.326 2.383 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -15.312 9.955 0.792 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -13.832 12.563 0.888 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -12.691 8.663 2.170 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -11.469 13.147 0.559 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -10.328 9.247 1.843 1.00 0.00 H new ATOM 0 HZ PHE A 94 -9.713 11.489 1.035 1.00 0.00 H new ATOM 1457 N VAL A 95 -17.707 11.505 1.056 1.00 0.00 N ATOM 1458 CA VAL A 95 -18.607 12.069 0.057 1.00 0.00 C ATOM 1459 C VAL A 95 -19.285 13.342 0.560 1.00 0.00 C ATOM 1460 O VAL A 95 -19.763 14.153 -0.233 1.00 0.00 O ATOM 1461 CB VAL A 95 -19.695 11.052 -0.336 1.00 0.00 C ATOM 1462 CG1 VAL A 95 -20.516 11.568 -1.507 1.00 0.00 C ATOM 1463 CG2 VAL A 95 -19.076 9.699 -0.660 1.00 0.00 C ATOM 0 H VAL A 95 -18.066 10.669 1.518 1.00 0.00 H new ATOM 0 HA VAL A 95 -17.997 12.314 -0.812 1.00 0.00 H new ATOM 0 HB VAL A 95 -20.364 10.922 0.514 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -21.279 10.834 -1.768 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -20.996 12.507 -1.230 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -19.863 11.734 -2.364 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -19.862 8.996 -0.935 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -18.379 9.807 -1.491 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -18.543 9.324 0.214 1.00 0.00 H new ATOM 1473 N SER A 96 -19.332 13.511 1.879 1.00 0.00 N ATOM 1474 CA SER A 96 -19.965 14.685 2.475 1.00 0.00 C ATOM 1475 C SER A 96 -19.362 15.973 1.930 1.00 0.00 C ATOM 1476 O SER A 96 -20.068 16.963 1.731 1.00 0.00 O ATOM 1477 CB SER A 96 -19.826 14.655 3.998 1.00 0.00 C ATOM 1478 OG SER A 96 -20.801 13.812 4.584 1.00 0.00 O ATOM 0 H SER A 96 -18.941 12.853 2.553 1.00 0.00 H new ATOM 0 HA SER A 96 -21.022 14.659 2.211 1.00 0.00 H new ATOM 0 HB2 SER A 96 -18.829 14.306 4.268 1.00 0.00 H new ATOM 0 HB3 SER A 96 -19.928 15.665 4.395 1.00 0.00 H new ATOM 0 HG SER A 96 -20.689 13.809 5.558 1.00 0.00 H new ATOM 1484 N GLY A 97 -18.054 15.960 1.697 1.00 0.00 N ATOM 1485 CA GLY A 97 -17.387 17.146 1.186 1.00 0.00 C ATOM 1486 C GLY A 97 -17.035 18.135 2.284 1.00 0.00 C ATOM 1487 O GLY A 97 -16.399 19.157 2.026 1.00 0.00 O ATOM 0 H GLY A 97 -17.446 15.156 1.851 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -16.478 16.850 0.663 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -18.031 17.634 0.455 1.00 0.00 H new ATOM 1491 N VAL A 98 -17.457 17.835 3.511 1.00 0.00 N ATOM 1492 CA VAL A 98 -17.189 18.706 4.649 1.00 0.00 C ATOM 1493 C VAL A 98 -16.594 17.929 5.828 1.00 0.00 C ATOM 1494 O VAL A 98 -16.257 18.513 6.857 1.00 0.00 O ATOM 1495 CB VAL A 98 -18.477 19.418 5.110 1.00 0.00 C ATOM 1496 CG1 VAL A 98 -19.515 18.403 5.567 1.00 0.00 C ATOM 1497 CG2 VAL A 98 -18.173 20.426 6.213 1.00 0.00 C ATOM 0 H VAL A 98 -17.986 16.994 3.741 1.00 0.00 H new ATOM 0 HA VAL A 98 -16.462 19.447 4.317 1.00 0.00 H new ATOM 0 HB VAL A 98 -18.889 19.965 4.262 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -20.417 18.924 5.889 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -19.758 17.734 4.742 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -19.115 17.823 6.399 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -19.096 20.916 6.523 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -17.732 19.910 7.066 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -17.473 21.173 5.840 1.00 0.00 H new ATOM 1507 N GLY A 99 -16.465 16.611 5.677 1.00 0.00 N ATOM 1508 CA GLY A 99 -15.911 15.797 6.745 1.00 0.00 C ATOM 1509 C GLY A 99 -14.527 15.256 6.421 1.00 0.00 C ATOM 1510 O GLY A 99 -13.896 14.614 7.261 1.00 0.00 O ATOM 0 H GLY A 99 -16.733 16.096 4.838 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -15.859 16.391 7.658 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -16.584 14.963 6.945 1.00 0.00 H new ATOM 1514 N ILE A 100 -14.054 15.515 5.204 1.00 0.00 N ATOM 1515 CA ILE A 100 -12.737 15.050 4.776 1.00 0.00 C ATOM 1516 C ILE A 100 -11.636 15.575 5.688 1.00 0.00 C ATOM 1517 O ILE A 100 -10.693 14.860 6.012 1.00 0.00 O ATOM 1518 CB ILE A 100 -12.426 15.496 3.337 1.00 0.00 C ATOM 1519 CG1 ILE A 100 -13.566 15.105 2.399 1.00 0.00 C ATOM 1520 CG2 ILE A 100 -11.111 14.892 2.863 1.00 0.00 C ATOM 1521 CD1 ILE A 100 -14.488 16.253 2.063 1.00 0.00 C ATOM 0 H ILE A 100 -14.563 16.045 4.497 1.00 0.00 H new ATOM 0 HA ILE A 100 -12.764 13.961 4.826 1.00 0.00 H new ATOM 0 HB ILE A 100 -12.328 16.582 3.326 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -13.146 14.704 1.476 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -14.147 14.305 2.859 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -10.907 15.218 1.843 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -10.303 15.220 3.517 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -11.180 13.804 2.889 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -15.274 15.904 1.393 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -14.936 16.640 2.978 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -13.920 17.045 1.575 1.00 0.00 H new ATOM 1533 N GLU A 101 -11.755 16.836 6.087 1.00 0.00 N ATOM 1534 CA GLU A 101 -10.759 17.462 6.951 1.00 0.00 C ATOM 1535 C GLU A 101 -10.432 16.579 8.152 1.00 0.00 C ATOM 1536 O GLU A 101 -9.268 16.276 8.410 1.00 0.00 O ATOM 1537 CB GLU A 101 -11.255 18.829 7.422 1.00 0.00 C ATOM 1538 CG GLU A 101 -12.642 18.792 8.041 1.00 0.00 C ATOM 1539 CD GLU A 101 -13.313 20.150 8.046 1.00 0.00 C ATOM 1540 OE1 GLU A 101 -13.911 20.521 7.014 1.00 0.00 O ATOM 1541 OE2 GLU A 101 -13.241 20.844 9.082 1.00 0.00 O ATOM 0 H GLU A 101 -12.530 17.445 5.827 1.00 0.00 H new ATOM 0 HA GLU A 101 -9.845 17.592 6.371 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -10.551 19.230 8.151 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -11.262 19.515 6.575 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -13.263 18.086 7.490 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -12.570 18.423 9.064 1.00 0.00 H new ATOM 1548 N ALA A 102 -11.464 16.162 8.877 1.00 0.00 N ATOM 1549 CA ALA A 102 -11.279 15.309 10.044 1.00 0.00 C ATOM 1550 C ALA A 102 -10.940 13.884 9.626 1.00 0.00 C ATOM 1551 O ALA A 102 -10.035 13.262 10.182 1.00 0.00 O ATOM 1552 CB ALA A 102 -12.527 15.326 10.914 1.00 0.00 C ATOM 0 H ALA A 102 -12.435 16.400 8.677 1.00 0.00 H new ATOM 0 HA ALA A 102 -10.443 15.700 10.624 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -12.374 14.684 11.782 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -12.725 16.345 11.246 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -13.377 14.961 10.338 1.00 0.00 H new ATOM 1558 N LEU A 103 -11.669 13.373 8.636 1.00 0.00 N ATOM 1559 CA LEU A 103 -11.441 12.021 8.138 1.00 0.00 C ATOM 1560 C LEU A 103 -10.002 11.860 7.659 1.00 0.00 C ATOM 1561 O LEU A 103 -9.304 10.927 8.055 1.00 0.00 O ATOM 1562 CB LEU A 103 -12.413 11.704 6.997 1.00 0.00 C ATOM 1563 CG LEU A 103 -12.130 10.404 6.240 1.00 0.00 C ATOM 1564 CD1 LEU A 103 -12.192 9.212 7.183 1.00 0.00 C ATOM 1565 CD2 LEU A 103 -13.116 10.233 5.095 1.00 0.00 C ATOM 0 H LEU A 103 -12.421 13.875 8.164 1.00 0.00 H new ATOM 0 HA LEU A 103 -11.615 11.321 8.955 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -13.423 11.656 7.405 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -12.395 12.530 6.286 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.124 10.458 5.824 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -11.988 8.297 6.627 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -11.447 9.332 7.970 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -13.185 9.152 7.629 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -12.902 9.304 4.566 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -14.131 10.200 5.491 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -13.023 11.073 4.406 1.00 0.00 H new ATOM 1577 N GLN A 104 -9.563 12.779 6.805 1.00 0.00 N ATOM 1578 CA GLN A 104 -8.208 12.745 6.274 1.00 0.00 C ATOM 1579 C GLN A 104 -7.182 12.853 7.399 1.00 0.00 C ATOM 1580 O GLN A 104 -6.244 12.062 7.478 1.00 0.00 O ATOM 1581 CB GLN A 104 -7.993 13.869 5.260 1.00 0.00 C ATOM 1582 CG GLN A 104 -6.745 13.680 4.411 1.00 0.00 C ATOM 1583 CD GLN A 104 -5.683 14.726 4.688 1.00 0.00 C ATOM 1584 OE1 GLN A 104 -5.964 15.772 5.273 1.00 0.00 O ATOM 1585 NE2 GLN A 104 -4.455 14.448 4.268 1.00 0.00 N ATOM 0 H GLN A 104 -10.128 13.557 6.466 1.00 0.00 H new ATOM 0 HA GLN A 104 -8.072 11.789 5.768 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -8.863 13.931 4.606 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -7.924 14.819 5.790 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -6.330 12.689 4.598 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -7.019 13.717 3.357 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -4.267 13.568 3.787 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -3.699 15.114 4.426 1.00 0.00 H new ATOM 1594 N ASN A 105 -7.358 13.844 8.268 1.00 0.00 N ATOM 1595 CA ASN A 105 -6.435 14.045 9.380 1.00 0.00 C ATOM 1596 C ASN A 105 -6.296 12.772 10.209 1.00 0.00 C ATOM 1597 O ASN A 105 -5.193 12.402 10.615 1.00 0.00 O ATOM 1598 CB ASN A 105 -6.899 15.205 10.265 1.00 0.00 C ATOM 1599 CG ASN A 105 -5.949 16.386 10.203 1.00 0.00 C ATOM 1600 OD1 ASN A 105 -6.056 17.239 9.322 1.00 0.00 O ATOM 1601 ND2 ASN A 105 -5.008 16.438 11.140 1.00 0.00 N ATOM 0 H ASN A 105 -8.125 14.515 8.225 1.00 0.00 H new ATOM 0 HA ASN A 105 -5.458 14.293 8.964 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -7.893 15.524 9.952 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -6.984 14.862 11.296 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -4.338 17.207 11.148 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -4.956 15.709 11.852 1.00 0.00 H new ATOM 1608 N LYS A 106 -7.416 12.109 10.465 1.00 0.00 N ATOM 1609 CA LYS A 106 -7.408 10.883 11.252 1.00 0.00 C ATOM 1610 C LYS A 106 -6.888 9.702 10.435 1.00 0.00 C ATOM 1611 O LYS A 106 -6.148 8.865 10.950 1.00 0.00 O ATOM 1612 CB LYS A 106 -8.814 10.581 11.778 1.00 0.00 C ATOM 1613 CG LYS A 106 -8.847 10.212 13.251 1.00 0.00 C ATOM 1614 CD LYS A 106 -10.222 10.451 13.856 1.00 0.00 C ATOM 1615 CE LYS A 106 -11.094 9.207 13.771 1.00 0.00 C ATOM 1616 NZ LYS A 106 -12.500 9.535 13.402 1.00 0.00 N ATOM 0 H LYS A 106 -8.339 12.398 10.140 1.00 0.00 H new ATOM 0 HA LYS A 106 -6.735 11.032 12.096 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -9.448 11.453 11.616 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -9.242 9.763 11.198 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -8.573 9.164 13.371 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -8.104 10.799 13.791 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -10.115 10.750 14.899 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -10.711 11.275 13.336 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -10.676 8.521 13.034 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -11.082 8.690 14.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -13.060 8.660 13.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -12.908 10.169 14.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -12.515 10.006 12.475 1.00 0.00 H new ATOM 1630 N ILE A 107 -7.275 9.629 9.163 1.00 0.00 N ATOM 1631 CA ILE A 107 -6.834 8.530 8.308 1.00 0.00 C ATOM 1632 C ILE A 107 -5.318 8.543 8.124 1.00 0.00 C ATOM 1633 O ILE A 107 -4.677 7.493 8.145 1.00 0.00 O ATOM 1634 CB ILE A 107 -7.531 8.551 6.924 1.00 0.00 C ATOM 1635 CG1 ILE A 107 -7.490 7.157 6.292 1.00 0.00 C ATOM 1636 CG2 ILE A 107 -6.887 9.572 5.996 1.00 0.00 C ATOM 1637 CD1 ILE A 107 -8.808 6.416 6.366 1.00 0.00 C ATOM 0 H ILE A 107 -7.885 10.308 8.707 1.00 0.00 H new ATOM 0 HA ILE A 107 -7.120 7.610 8.817 1.00 0.00 H new ATOM 0 HB ILE A 107 -8.570 8.844 7.073 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -7.194 7.250 5.247 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -6.722 6.565 6.789 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -7.398 9.562 5.033 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -6.964 10.565 6.438 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -5.836 9.320 5.851 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -8.702 5.437 5.898 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -9.097 6.290 7.410 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -9.576 6.986 5.843 1.00 0.00 H new ATOM 1649 N LEU A 108 -4.748 9.733 7.940 1.00 0.00 N ATOM 1650 CA LEU A 108 -3.306 9.855 7.750 1.00 0.00 C ATOM 1651 C LEU A 108 -2.563 9.536 9.043 1.00 0.00 C ATOM 1652 O LEU A 108 -1.533 8.866 9.025 1.00 0.00 O ATOM 1653 CB LEU A 108 -2.938 11.258 7.250 1.00 0.00 C ATOM 1654 CG LEU A 108 -3.261 12.415 8.203 1.00 0.00 C ATOM 1655 CD1 LEU A 108 -2.186 12.546 9.275 1.00 0.00 C ATOM 1656 CD2 LEU A 108 -3.402 13.717 7.423 1.00 0.00 C ATOM 0 H LEU A 108 -5.257 10.617 7.919 1.00 0.00 H new ATOM 0 HA LEU A 108 -3.003 9.133 6.992 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -1.870 11.277 7.035 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -3.456 11.434 6.307 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.209 12.201 8.697 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -2.435 13.373 9.940 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.131 11.622 9.850 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.223 12.738 8.803 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.631 14.530 8.111 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.468 13.933 6.904 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.208 13.620 6.695 1.00 0.00 H new ATOM 1668 N THR A 109 -3.093 10.011 10.164 1.00 0.00 N ATOM 1669 CA THR A 109 -2.474 9.765 11.464 1.00 0.00 C ATOM 1670 C THR A 109 -2.311 8.267 11.719 1.00 0.00 C ATOM 1671 O THR A 109 -1.255 7.818 12.165 1.00 0.00 O ATOM 1672 CB THR A 109 -3.311 10.403 12.578 1.00 0.00 C ATOM 1673 OG1 THR A 109 -3.347 11.815 12.427 1.00 0.00 O ATOM 1674 CG2 THR A 109 -2.802 10.089 13.975 1.00 0.00 C ATOM 0 H THR A 109 -3.947 10.567 10.201 1.00 0.00 H new ATOM 0 HA THR A 109 -1.483 10.219 11.460 1.00 0.00 H new ATOM 0 HB THR A 109 -4.307 9.971 12.478 1.00 0.00 H new ATOM 0 HG1 THR A 109 -3.750 12.041 11.563 1.00 0.00 H new ATOM 0 HG21 THR A 109 -3.442 10.573 14.713 1.00 0.00 H new ATOM 0 HG22 THR A 109 -2.816 9.011 14.134 1.00 0.00 H new ATOM 0 HG23 THR A 109 -1.782 10.458 14.082 1.00 0.00 H new ATOM 1682 N ILE A 110 -3.362 7.501 11.439 1.00 0.00 N ATOM 1683 CA ILE A 110 -3.330 6.056 11.648 1.00 0.00 C ATOM 1684 C ILE A 110 -2.489 5.351 10.586 1.00 0.00 C ATOM 1685 O ILE A 110 -1.755 4.411 10.891 1.00 0.00 O ATOM 1686 CB ILE A 110 -4.748 5.449 11.643 1.00 0.00 C ATOM 1687 CG1 ILE A 110 -5.665 6.223 12.593 1.00 0.00 C ATOM 1688 CG2 ILE A 110 -4.698 3.977 12.031 1.00 0.00 C ATOM 1689 CD1 ILE A 110 -7.099 5.740 12.575 1.00 0.00 C ATOM 0 H ILE A 110 -4.244 7.855 11.068 1.00 0.00 H new ATOM 0 HA ILE A 110 -2.876 5.900 12.627 1.00 0.00 H new ATOM 0 HB ILE A 110 -5.153 5.526 10.634 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -5.275 6.142 13.608 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -5.642 7.280 12.326 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -5.707 3.564 12.023 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -4.078 3.434 11.318 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -4.274 3.878 13.030 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -7.692 6.333 13.272 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -7.506 5.847 11.570 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -7.134 4.691 12.871 1.00 0.00 H new ATOM 1701 N LEU A 111 -2.599 5.802 9.339 1.00 0.00 N ATOM 1702 CA LEU A 111 -1.843 5.196 8.248 1.00 0.00 C ATOM 1703 C LEU A 111 -0.357 5.525 8.368 1.00 0.00 C ATOM 1704 O LEU A 111 0.480 4.894 7.722 1.00 0.00 O ATOM 1705 CB LEU A 111 -2.377 5.666 6.890 1.00 0.00 C ATOM 1706 CG LEU A 111 -3.718 5.055 6.461 1.00 0.00 C ATOM 1707 CD1 LEU A 111 -4.115 5.559 5.082 1.00 0.00 C ATOM 1708 CD2 LEU A 111 -3.650 3.533 6.466 1.00 0.00 C ATOM 0 H LEU A 111 -3.199 6.578 9.061 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.966 4.115 8.317 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.483 6.750 6.916 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.633 5.437 6.127 1.00 0.00 H new ATOM 0 HG LEU A 111 -4.476 5.366 7.180 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -5.068 5.116 4.793 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -4.212 6.644 5.105 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -3.350 5.278 4.358 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.613 3.125 6.158 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -2.877 3.201 5.773 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -3.412 3.183 7.470 1.00 0.00 H new ATOM 1720 N GLN A 112 -0.035 6.511 9.201 1.00 0.00 N ATOM 1721 CA GLN A 112 1.352 6.912 9.405 1.00 0.00 C ATOM 1722 C GLN A 112 1.930 6.272 10.666 1.00 0.00 C ATOM 1723 O GLN A 112 3.116 6.426 10.960 1.00 0.00 O ATOM 1724 CB GLN A 112 1.455 8.434 9.495 1.00 0.00 C ATOM 1725 CG GLN A 112 1.290 9.132 8.155 1.00 0.00 C ATOM 1726 CD GLN A 112 1.867 10.535 8.150 1.00 0.00 C ATOM 1727 OE1 GLN A 112 3.038 10.741 7.827 1.00 0.00 O ATOM 1728 NE2 GLN A 112 1.041 11.505 8.512 1.00 0.00 N ATOM 0 H GLN A 112 -0.714 7.045 9.744 1.00 0.00 H new ATOM 0 HA GLN A 112 1.932 6.565 8.550 1.00 0.00 H new ATOM 0 HB2 GLN A 112 0.694 8.802 10.184 1.00 0.00 H new ATOM 0 HB3 GLN A 112 2.424 8.701 9.918 1.00 0.00 H new ATOM 0 HG2 GLN A 112 1.777 8.541 7.380 1.00 0.00 H new ATOM 0 HG3 GLN A 112 0.231 9.178 7.902 1.00 0.00 H new ATOM 0 HE21 GLN A 112 0.079 11.286 8.771 1.00 0.00 H new ATOM 0 HE22 GLN A 112 1.367 12.471 8.532 1.00 0.00 H new ATOM 1737 N GLY A 113 1.090 5.552 11.409 1.00 0.00 N ATOM 1738 CA GLY A 113 1.544 4.903 12.624 1.00 0.00 C ATOM 1739 C GLY A 113 0.537 3.903 13.157 1.00 0.00 C ATOM 1740 O GLY A 113 0.075 4.079 14.303 1.00 0.00 O ATOM 1741 OXT GLY A 113 0.208 2.945 12.425 1.00 0.00 O ATOM 0 H GLY A 113 0.104 5.408 11.189 1.00 0.00 H new ATOM 0 HA2 GLY A 113 2.489 4.395 12.430 1.00 0.00 H new ATOM 0 HA3 GLY A 113 1.739 5.659 13.385 1.00 0.00 H new TER 1745 GLY A 113