USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 755 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 44 ASN : amide:sc= -3.87! C(o=-3.9!,f=-4.1!) USER MOD Set 1.2: A 51 LYS NZ :NH3+ -116:sc= 0 (180deg=-0.0393) USER MOD Set 2.1: A 1 HIS : no HD1:sc= -0.361 K(o=-1.7,f=-1.1) USER MOD Set 2.2: A 3 HIS : no HE2:sc= -1.38 K(o=-1.7,f=-1.1) USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 2 HIS : no HD1:sc= -2.98! C(o=-3!,f=-2.8!) USER MOD Single : A 4 HIS : no HD1:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 5 HIS : no HD1:sc= -0.943 K(o=-0.94,f=-2) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A -1 SER OG : rot 54:sc= 0.397 USER MOD Single : A -2 SER OG : rot 180:sc= 0 USER MOD Single : A -4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -4 MET N :NH3+ 141:sc= -0.33 (180deg=-0.626) USER MOD Single : A 14 SER OG : rot 81:sc= 1.28 USER MOD Single : A 15 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-1.8) USER MOD Single : A 16 MET CE :methyl -176:sc= -0.833 (180deg=-1.1) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -143:sc= -0.203 (180deg=-1.08) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.11 K(o=-0.11,f=-0.71) USER MOD Single : A 27 CYS SG : rot -12:sc= 0.734 USER MOD Single : A 30 GLN : amide:sc= -0.0146 K(o=-0.015,f=-1.2) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot -48:sc= 0.00272 USER MOD Single : A 55 HIS : no HE2:sc= -5.89! C(o=-5.9!,f=-7.3!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.61 K(o=-0.61,f=-1.2) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.826 K(o=-0.83,f=-1.4) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 137:sc= 0.162 USER MOD Single : A 69 THR OG1 : rot 12:sc= 0.988 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A -4 -15.595 7.236 -2.043 1.00 0.00 N ATOM 2 CA MET A -4 -15.335 5.844 -2.391 1.00 0.00 C ATOM 3 C MET A -4 -14.067 5.721 -3.229 1.00 0.00 C ATOM 4 O MET A -4 -13.949 4.828 -4.067 1.00 0.00 O ATOM 5 CB MET A -4 -16.524 5.257 -3.155 1.00 0.00 C ATOM 6 CG MET A -4 -17.773 5.094 -2.303 1.00 0.00 C ATOM 7 SD MET A -4 -19.287 5.098 -3.282 1.00 0.00 S ATOM 8 CE MET A -4 -20.257 6.319 -2.400 1.00 0.00 C ATOM 0 H1 MET A -4 -16.617 7.422 -2.096 1.00 0.00 H new ATOM 0 H2 MET A -4 -15.259 7.421 -1.076 1.00 0.00 H new ATOM 0 H3 MET A -4 -15.095 7.859 -2.708 1.00 0.00 H new ATOM 0 HA MET A -4 -15.194 5.284 -1.466 1.00 0.00 H new ATOM 0 HB2 MET A -4 -16.754 5.902 -4.003 1.00 0.00 H new ATOM 0 HB3 MET A -4 -16.241 4.285 -3.560 1.00 0.00 H new ATOM 0 HG2 MET A -4 -17.708 4.160 -1.745 1.00 0.00 H new ATOM 0 HG3 MET A -4 -17.816 5.900 -1.571 1.00 0.00 H new ATOM 0 HE1 MET A -4 -21.226 6.435 -2.886 1.00 0.00 H new ATOM 0 HE2 MET A -4 -20.404 5.992 -1.371 1.00 0.00 H new ATOM 0 HE3 MET A -4 -19.732 7.274 -2.406 1.00 0.00 H new ATOM 18 N GLY A -3 -13.119 6.624 -2.997 1.00 0.00 N ATOM 19 CA GLY A -3 -11.872 6.599 -3.739 1.00 0.00 C ATOM 20 C GLY A -3 -10.729 6.015 -2.932 1.00 0.00 C ATOM 21 O GLY A -3 -10.852 5.815 -1.724 1.00 0.00 O ATOM 0 H GLY A -3 -13.192 7.373 -2.308 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -12.006 6.014 -4.649 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -11.615 7.613 -4.046 1.00 0.00 H new ATOM 25 N SER A -2 -9.614 5.740 -3.602 1.00 0.00 N ATOM 26 CA SER A -2 -8.446 5.171 -2.940 1.00 0.00 C ATOM 27 C SER A -2 -7.224 6.064 -3.131 1.00 0.00 C ATOM 28 O SER A -2 -7.137 6.815 -4.102 1.00 0.00 O ATOM 29 CB SER A -2 -8.158 3.770 -3.484 1.00 0.00 C ATOM 30 OG SER A -2 -9.361 3.070 -3.752 1.00 0.00 O ATOM 0 H SER A -2 -9.495 5.902 -4.602 1.00 0.00 H new ATOM 0 HA SER A -2 -8.661 5.102 -1.874 1.00 0.00 H new ATOM 0 HB2 SER A -2 -7.566 3.845 -4.396 1.00 0.00 H new ATOM 0 HB3 SER A -2 -7.562 3.212 -2.762 1.00 0.00 H new ATOM 0 HG SER A -2 -9.150 2.179 -4.100 1.00 0.00 H new ATOM 36 N SER A -1 -6.283 5.976 -2.197 1.00 0.00 N ATOM 37 CA SER A -1 -5.067 6.779 -2.259 1.00 0.00 C ATOM 38 C SER A -1 -3.829 5.903 -2.087 1.00 0.00 C ATOM 39 O SER A -1 -3.155 5.957 -1.057 1.00 0.00 O ATOM 40 CB SER A -1 -5.092 7.864 -1.181 1.00 0.00 C ATOM 41 OG SER A -1 -5.250 7.299 0.109 1.00 0.00 O ATOM 0 H SER A -1 -6.339 5.357 -1.388 1.00 0.00 H new ATOM 0 HA SER A -1 -5.023 7.253 -3.240 1.00 0.00 H new ATOM 0 HB2 SER A -1 -4.167 8.439 -1.218 1.00 0.00 H new ATOM 0 HB3 SER A -1 -5.908 8.559 -1.379 1.00 0.00 H new ATOM 0 HG SER A -1 -4.554 6.625 0.258 1.00 0.00 H new ATOM 47 N HIS A 0 -3.536 5.098 -3.102 1.00 0.00 N ATOM 48 CA HIS A 0 -2.379 4.210 -3.065 1.00 0.00 C ATOM 49 C HIS A 0 -2.145 3.565 -4.428 1.00 0.00 C ATOM 50 O HIS A 0 -3.070 3.033 -5.041 1.00 0.00 O ATOM 51 CB HIS A 0 -2.573 3.128 -2.002 1.00 0.00 C ATOM 52 CG HIS A 0 -1.338 2.327 -1.731 1.00 0.00 C ATOM 53 ND1 HIS A 0 -1.201 1.006 -2.102 1.00 0.00 N ATOM 54 CD2 HIS A 0 -0.178 2.667 -1.122 1.00 0.00 C ATOM 55 CE1 HIS A 0 -0.011 0.567 -1.732 1.00 0.00 C ATOM 56 NE2 HIS A 0 0.630 1.556 -1.135 1.00 0.00 N ATOM 0 H HIS A 0 -4.083 5.042 -3.961 1.00 0.00 H new ATOM 0 HA HIS A 0 -1.503 4.806 -2.810 1.00 0.00 H new ATOM 0 HB2 HIS A 0 -2.903 3.596 -1.075 1.00 0.00 H new ATOM 0 HB3 HIS A 0 -3.370 2.456 -2.321 1.00 0.00 H new ATOM 0 HD2 HIS A 0 0.067 3.632 -0.704 1.00 0.00 H new ATOM 0 HE1 HIS A 0 0.372 -0.430 -1.891 1.00 0.00 H new ATOM 0 HE2 HIS A 0 1.572 1.503 -0.747 1.00 0.00 H new ATOM 64 N HIS A 1 -0.901 3.617 -4.896 1.00 0.00 N ATOM 65 CA HIS A 1 -0.546 3.038 -6.186 1.00 0.00 C ATOM 66 C HIS A 1 -0.600 1.515 -6.132 1.00 0.00 C ATOM 67 O HIS A 1 -0.631 0.923 -5.052 1.00 0.00 O ATOM 68 CB HIS A 1 0.852 3.496 -6.606 1.00 0.00 C ATOM 69 CG HIS A 1 1.950 2.906 -5.776 1.00 0.00 C ATOM 70 ND1 HIS A 1 3.059 2.293 -6.320 1.00 0.00 N ATOM 71 CD2 HIS A 1 2.106 2.839 -4.433 1.00 0.00 C ATOM 72 CE1 HIS A 1 3.849 1.874 -5.348 1.00 0.00 C ATOM 73 NE2 HIS A 1 3.293 2.193 -4.192 1.00 0.00 N ATOM 0 H HIS A 1 -0.123 4.054 -4.401 1.00 0.00 H new ATOM 0 HA HIS A 1 -1.271 3.383 -6.923 1.00 0.00 H new ATOM 0 HB2 HIS A 1 1.014 3.230 -7.650 1.00 0.00 H new ATOM 0 HB3 HIS A 1 0.904 4.583 -6.542 1.00 0.00 H new ATOM 0 HD2 HIS A 1 1.423 3.223 -3.689 1.00 0.00 H new ATOM 0 HE1 HIS A 1 4.789 1.358 -5.476 1.00 0.00 H new ATOM 0 HE2 HIS A 1 3.682 1.992 -3.271 1.00 0.00 H new ATOM 81 N HIS A 2 -0.613 0.885 -7.303 1.00 0.00 N ATOM 82 CA HIS A 2 -0.664 -0.570 -7.388 1.00 0.00 C ATOM 83 C HIS A 2 0.395 -1.095 -8.353 1.00 0.00 C ATOM 84 O HIS A 2 1.186 -0.327 -8.902 1.00 0.00 O ATOM 85 CB HIS A 2 -2.052 -1.027 -7.837 1.00 0.00 C ATOM 86 CG HIS A 2 -3.170 -0.374 -7.084 1.00 0.00 C ATOM 87 ND1 HIS A 2 -4.325 0.073 -7.690 1.00 0.00 N ATOM 88 CD2 HIS A 2 -3.306 -0.095 -5.766 1.00 0.00 C ATOM 89 CE1 HIS A 2 -5.122 0.600 -6.778 1.00 0.00 C ATOM 90 NE2 HIS A 2 -4.527 0.510 -5.602 1.00 0.00 N ATOM 0 H HIS A 2 -0.589 1.360 -8.206 1.00 0.00 H new ATOM 0 HA HIS A 2 -0.460 -0.975 -6.397 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -2.169 -0.816 -8.900 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -2.126 -2.108 -7.717 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -2.587 -0.309 -4.989 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -6.095 1.031 -6.962 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -4.912 0.837 -4.716 1.00 0.00 H new ATOM 98 N HIS A 3 0.404 -2.409 -8.556 1.00 0.00 N ATOM 99 CA HIS A 3 1.366 -3.036 -9.456 1.00 0.00 C ATOM 100 C HIS A 3 0.707 -4.151 -10.263 1.00 0.00 C ATOM 101 O HIS A 3 -0.500 -4.373 -10.164 1.00 0.00 O ATOM 102 CB HIS A 3 2.547 -3.595 -8.663 1.00 0.00 C ATOM 103 CG HIS A 3 3.479 -2.539 -8.152 1.00 0.00 C ATOM 104 ND1 HIS A 3 4.797 -2.443 -8.545 1.00 0.00 N ATOM 105 CD2 HIS A 3 3.275 -1.529 -7.274 1.00 0.00 C ATOM 106 CE1 HIS A 3 5.364 -1.421 -7.931 1.00 0.00 C ATOM 107 NE2 HIS A 3 4.462 -0.849 -7.154 1.00 0.00 N ATOM 0 H HIS A 3 -0.243 -3.059 -8.110 1.00 0.00 H new ATOM 0 HA HIS A 3 1.729 -2.276 -10.148 1.00 0.00 H new ATOM 0 HB2 HIS A 3 2.167 -4.172 -7.820 1.00 0.00 H new ATOM 0 HB3 HIS A 3 3.105 -4.285 -9.296 1.00 0.00 H new ATOM 0 HD1 HIS A 3 5.262 -3.065 -9.207 1.00 0.00 H new ATOM 0 HD2 HIS A 3 2.351 -1.301 -6.763 1.00 0.00 H new ATOM 0 HE1 HIS A 3 6.391 -1.106 -8.045 1.00 0.00 H new ATOM 115 N HIS A 4 1.507 -4.848 -11.063 1.00 0.00 N ATOM 116 CA HIS A 4 1.002 -5.940 -11.888 1.00 0.00 C ATOM 117 C HIS A 4 2.069 -7.013 -12.083 1.00 0.00 C ATOM 118 O HIS A 4 3.258 -6.764 -11.883 1.00 0.00 O ATOM 119 CB HIS A 4 0.541 -5.409 -13.246 1.00 0.00 C ATOM 120 CG HIS A 4 1.668 -4.989 -14.138 1.00 0.00 C ATOM 121 ND1 HIS A 4 1.746 -5.340 -15.469 1.00 0.00 N ATOM 122 CD2 HIS A 4 2.767 -4.240 -13.884 1.00 0.00 C ATOM 123 CE1 HIS A 4 2.844 -4.827 -15.995 1.00 0.00 C ATOM 124 NE2 HIS A 4 3.481 -4.154 -15.054 1.00 0.00 N ATOM 0 H HIS A 4 2.508 -4.676 -11.158 1.00 0.00 H new ATOM 0 HA HIS A 4 0.152 -6.388 -11.374 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -0.042 -6.180 -13.750 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -0.123 -4.559 -13.088 1.00 0.00 H new ATOM 0 HD2 HIS A 4 3.033 -3.793 -12.937 1.00 0.00 H new ATOM 0 HE1 HIS A 4 3.166 -4.939 -17.020 1.00 0.00 H new ATOM 0 HE2 HIS A 4 4.360 -3.652 -15.176 1.00 0.00 H new ATOM 132 N HIS A 5 1.636 -8.207 -12.473 1.00 0.00 N ATOM 133 CA HIS A 5 2.554 -9.319 -12.695 1.00 0.00 C ATOM 134 C HIS A 5 2.075 -10.198 -13.846 1.00 0.00 C ATOM 135 O HIS A 5 0.893 -10.197 -14.190 1.00 0.00 O ATOM 136 CB HIS A 5 2.692 -10.155 -11.422 1.00 0.00 C ATOM 137 CG HIS A 5 3.144 -9.366 -10.233 1.00 0.00 C ATOM 138 ND1 HIS A 5 2.302 -8.550 -9.506 1.00 0.00 N ATOM 139 CD2 HIS A 5 4.359 -9.271 -9.642 1.00 0.00 C ATOM 140 CE1 HIS A 5 2.980 -7.987 -8.522 1.00 0.00 C ATOM 141 NE2 HIS A 5 4.230 -8.409 -8.582 1.00 0.00 N ATOM 0 H HIS A 5 0.655 -8.430 -12.642 1.00 0.00 H new ATOM 0 HA HIS A 5 3.528 -8.907 -12.958 1.00 0.00 H new ATOM 0 HB2 HIS A 5 1.732 -10.619 -11.196 1.00 0.00 H new ATOM 0 HB3 HIS A 5 3.401 -10.963 -11.603 1.00 0.00 H new ATOM 0 HD2 HIS A 5 5.262 -9.779 -9.948 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.580 -7.299 -7.792 1.00 0.00 H new ATOM 0 HE2 HIS A 5 4.978 -8.138 -7.944 1.00 0.00 H new ATOM 149 N SER A 6 3.001 -10.946 -14.438 1.00 0.00 N ATOM 150 CA SER A 6 2.674 -11.826 -15.554 1.00 0.00 C ATOM 151 C SER A 6 3.900 -12.618 -15.998 1.00 0.00 C ATOM 152 O SER A 6 5.026 -12.124 -15.941 1.00 0.00 O ATOM 153 CB SER A 6 2.126 -11.013 -16.728 1.00 0.00 C ATOM 154 OG SER A 6 2.967 -9.911 -17.023 1.00 0.00 O ATOM 0 H SER A 6 3.983 -10.960 -14.163 1.00 0.00 H new ATOM 0 HA SER A 6 1.910 -12.528 -15.219 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.037 -11.652 -17.607 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.124 -10.656 -16.491 1.00 0.00 H new ATOM 0 HG SER A 6 2.595 -9.409 -17.778 1.00 0.00 H new ATOM 160 N SER A 7 3.672 -13.851 -16.439 1.00 0.00 N ATOM 161 CA SER A 7 4.757 -14.715 -16.889 1.00 0.00 C ATOM 162 C SER A 7 4.211 -16.020 -17.460 1.00 0.00 C ATOM 163 O SER A 7 3.084 -16.416 -17.166 1.00 0.00 O ATOM 164 CB SER A 7 5.714 -15.012 -15.733 1.00 0.00 C ATOM 165 OG SER A 7 6.850 -15.729 -16.182 1.00 0.00 O ATOM 0 H SER A 7 2.746 -14.274 -16.494 1.00 0.00 H new ATOM 0 HA SER A 7 5.301 -14.193 -17.677 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.030 -14.078 -15.269 1.00 0.00 H new ATOM 0 HB3 SER A 7 5.196 -15.589 -14.967 1.00 0.00 H new ATOM 0 HG SER A 7 7.446 -15.905 -15.424 1.00 0.00 H new ATOM 171 N GLY A 8 5.020 -16.684 -18.280 1.00 0.00 N ATOM 172 CA GLY A 8 4.602 -17.938 -18.881 1.00 0.00 C ATOM 173 C GLY A 8 4.811 -17.959 -20.382 1.00 0.00 C ATOM 174 O GLY A 8 5.754 -17.356 -20.894 1.00 0.00 O ATOM 0 H GLY A 8 5.957 -16.376 -18.539 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.159 -18.758 -18.428 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.548 -18.109 -18.661 1.00 0.00 H new ATOM 178 N LEU A 9 3.930 -18.657 -21.090 1.00 0.00 N ATOM 179 CA LEU A 9 4.022 -18.757 -22.542 1.00 0.00 C ATOM 180 C LEU A 9 3.041 -17.804 -23.217 1.00 0.00 C ATOM 181 O LEU A 9 3.435 -16.768 -23.754 1.00 0.00 O ATOM 182 CB LEU A 9 3.748 -20.193 -22.993 1.00 0.00 C ATOM 183 CG LEU A 9 4.889 -21.190 -22.787 1.00 0.00 C ATOM 184 CD1 LEU A 9 4.392 -22.615 -22.976 1.00 0.00 C ATOM 185 CD2 LEU A 9 6.036 -20.893 -23.742 1.00 0.00 C ATOM 0 H LEU A 9 3.144 -19.162 -20.682 1.00 0.00 H new ATOM 0 HA LEU A 9 5.033 -18.477 -22.837 1.00 0.00 H new ATOM 0 HB2 LEU A 9 2.871 -20.559 -22.459 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.493 -20.177 -24.053 1.00 0.00 H new ATOM 0 HG LEU A 9 5.257 -21.087 -21.766 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.217 -23.311 -22.826 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.604 -22.825 -22.252 1.00 0.00 H new ATOM 0 HD13 LEU A 9 3.998 -22.732 -23.986 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.839 -21.612 -23.581 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.682 -20.968 -24.770 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.410 -19.885 -23.560 1.00 0.00 H new ATOM 197 N VAL A 10 1.761 -18.160 -23.185 1.00 0.00 N ATOM 198 CA VAL A 10 0.722 -17.335 -23.790 1.00 0.00 C ATOM 199 C VAL A 10 0.162 -16.333 -22.787 1.00 0.00 C ATOM 200 O VAL A 10 0.170 -16.558 -21.577 1.00 0.00 O ATOM 201 CB VAL A 10 -0.431 -18.197 -24.338 1.00 0.00 C ATOM 202 CG1 VAL A 10 0.094 -19.223 -25.331 1.00 0.00 C ATOM 203 CG2 VAL A 10 -1.175 -18.877 -23.198 1.00 0.00 C ATOM 0 H VAL A 10 1.418 -19.015 -22.746 1.00 0.00 H new ATOM 0 HA VAL A 10 1.186 -16.796 -24.616 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.131 -17.546 -24.862 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.735 -19.823 -25.707 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.578 -18.710 -26.162 1.00 0.00 H new ATOM 0 HG13 VAL A 10 0.816 -19.872 -24.836 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.986 -19.482 -23.603 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.487 -19.516 -22.645 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.585 -18.121 -22.529 1.00 0.00 H new ATOM 213 N PRO A 11 -0.338 -15.199 -23.300 1.00 0.00 N ATOM 214 CA PRO A 11 -0.913 -14.139 -22.466 1.00 0.00 C ATOM 215 C PRO A 11 -2.238 -14.553 -21.835 1.00 0.00 C ATOM 216 O PRO A 11 -2.731 -13.898 -20.917 1.00 0.00 O ATOM 217 CB PRO A 11 -1.127 -12.989 -23.452 1.00 0.00 C ATOM 218 CG PRO A 11 -1.265 -13.649 -24.781 1.00 0.00 C ATOM 219 CD PRO A 11 -0.380 -14.864 -24.733 1.00 0.00 C ATOM 0 HA PRO A 11 -0.266 -13.884 -21.627 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.018 -12.414 -23.201 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.286 -12.296 -23.440 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.301 -13.928 -24.973 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.962 -12.977 -25.584 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -0.789 -15.683 -25.325 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.615 -14.652 -25.126 1.00 0.00 H new ATOM 227 N ARG A 12 -2.810 -15.645 -22.333 1.00 0.00 N ATOM 228 CA ARG A 12 -4.079 -16.146 -21.818 1.00 0.00 C ATOM 229 C ARG A 12 -4.027 -16.300 -20.301 1.00 0.00 C ATOM 230 O ARG A 12 -3.431 -17.244 -19.782 1.00 0.00 O ATOM 231 CB ARG A 12 -4.422 -17.488 -22.466 1.00 0.00 C ATOM 232 CG ARG A 12 -4.510 -17.428 -23.982 1.00 0.00 C ATOM 233 CD ARG A 12 -5.120 -18.697 -24.556 1.00 0.00 C ATOM 234 NE ARG A 12 -6.543 -18.809 -24.247 1.00 0.00 N ATOM 235 CZ ARG A 12 -7.261 -19.903 -24.475 1.00 0.00 C ATOM 236 NH1 ARG A 12 -6.692 -20.974 -25.011 1.00 0.00 N ATOM 237 NH2 ARG A 12 -8.551 -19.927 -24.166 1.00 0.00 N ATOM 0 H ARG A 12 -2.415 -16.199 -23.092 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.855 -15.422 -22.066 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.667 -18.222 -22.183 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.374 -17.841 -22.069 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.110 -16.568 -24.279 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -3.514 -17.281 -24.400 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.982 -18.709 -25.637 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.593 -19.564 -24.158 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.011 -18.003 -23.833 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.700 -20.959 -25.249 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.246 -21.813 -25.185 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.992 -19.105 -23.753 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.102 -20.767 -24.341 1.00 0.00 H new ATOM 251 N GLY A 13 -4.654 -15.365 -19.594 1.00 0.00 N ATOM 252 CA GLY A 13 -4.666 -15.414 -18.144 1.00 0.00 C ATOM 253 C GLY A 13 -4.721 -14.035 -17.517 1.00 0.00 C ATOM 254 O GLY A 13 -5.532 -13.783 -16.626 1.00 0.00 O ATOM 0 H GLY A 13 -5.154 -14.574 -20.000 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -5.525 -15.996 -17.810 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.774 -15.933 -17.794 1.00 0.00 H new ATOM 258 N SER A 14 -3.855 -13.141 -17.982 1.00 0.00 N ATOM 259 CA SER A 14 -3.805 -11.781 -17.457 1.00 0.00 C ATOM 260 C SER A 14 -5.193 -11.148 -17.453 1.00 0.00 C ATOM 261 O SER A 14 -6.133 -11.681 -18.044 1.00 0.00 O ATOM 262 CB SER A 14 -2.844 -10.927 -18.286 1.00 0.00 C ATOM 263 OG SER A 14 -3.151 -11.010 -19.667 1.00 0.00 O ATOM 0 H SER A 14 -3.179 -13.333 -18.721 1.00 0.00 H new ATOM 0 HA SER A 14 -3.444 -11.828 -16.430 1.00 0.00 H new ATOM 0 HB2 SER A 14 -2.901 -9.889 -17.959 1.00 0.00 H new ATOM 0 HB3 SER A 14 -1.820 -11.259 -18.117 1.00 0.00 H new ATOM 0 HG SER A 14 -3.891 -10.402 -19.875 1.00 0.00 H new ATOM 269 N HIS A 15 -5.314 -10.007 -16.783 1.00 0.00 N ATOM 270 CA HIS A 15 -6.587 -9.299 -16.702 1.00 0.00 C ATOM 271 C HIS A 15 -7.181 -9.089 -18.092 1.00 0.00 C ATOM 272 O HIS A 15 -8.369 -9.326 -18.311 1.00 0.00 O ATOM 273 CB HIS A 15 -6.402 -7.951 -16.005 1.00 0.00 C ATOM 274 CG HIS A 15 -5.214 -7.181 -16.496 1.00 0.00 C ATOM 275 ND1 HIS A 15 -3.963 -7.285 -15.926 1.00 0.00 N ATOM 276 CD2 HIS A 15 -5.092 -6.293 -17.510 1.00 0.00 C ATOM 277 CE1 HIS A 15 -3.122 -6.493 -16.567 1.00 0.00 C ATOM 278 NE2 HIS A 15 -3.782 -5.880 -17.533 1.00 0.00 N ATOM 0 H HIS A 15 -4.546 -9.553 -16.288 1.00 0.00 H new ATOM 0 HA HIS A 15 -7.277 -9.909 -16.119 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -7.300 -7.350 -16.150 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -6.299 -8.117 -14.933 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -5.878 -5.969 -18.177 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -2.074 -6.368 -16.340 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -3.384 -5.209 -18.190 1.00 0.00 H new ATOM 286 N MET A 16 -6.347 -8.644 -19.026 1.00 0.00 N ATOM 287 CA MET A 16 -6.791 -8.403 -20.394 1.00 0.00 C ATOM 288 C MET A 16 -5.938 -9.185 -21.388 1.00 0.00 C ATOM 289 O MET A 16 -4.819 -9.591 -21.075 1.00 0.00 O ATOM 290 CB MET A 16 -6.730 -6.909 -20.717 1.00 0.00 C ATOM 291 CG MET A 16 -7.775 -6.085 -19.982 1.00 0.00 C ATOM 292 SD MET A 16 -9.455 -6.449 -20.527 1.00 0.00 S ATOM 293 CE MET A 16 -10.158 -4.802 -20.578 1.00 0.00 C ATOM 0 H MET A 16 -5.361 -8.443 -18.861 1.00 0.00 H new ATOM 0 HA MET A 16 -7.823 -8.744 -20.480 1.00 0.00 H new ATOM 0 HB2 MET A 16 -5.739 -6.531 -20.466 1.00 0.00 H new ATOM 0 HB3 MET A 16 -6.860 -6.772 -21.790 1.00 0.00 H new ATOM 0 HG2 MET A 16 -7.695 -6.275 -18.912 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.569 -5.025 -20.134 1.00 0.00 H new ATOM 0 HE1 MET A 16 -11.217 -4.866 -20.830 1.00 0.00 H new ATOM 0 HE2 MET A 16 -10.045 -4.328 -19.603 1.00 0.00 H new ATOM 0 HE3 MET A 16 -9.641 -4.209 -21.332 1.00 0.00 H new ATOM 303 N SER A 17 -6.475 -9.394 -22.586 1.00 0.00 N ATOM 304 CA SER A 17 -5.764 -10.131 -23.624 1.00 0.00 C ATOM 305 C SER A 17 -5.975 -9.485 -24.990 1.00 0.00 C ATOM 306 O SER A 17 -6.538 -8.395 -25.094 1.00 0.00 O ATOM 307 CB SER A 17 -6.234 -11.586 -23.658 1.00 0.00 C ATOM 308 OG SER A 17 -6.186 -12.168 -22.366 1.00 0.00 O ATOM 0 H SER A 17 -7.400 -9.063 -22.862 1.00 0.00 H new ATOM 0 HA SER A 17 -4.700 -10.105 -23.389 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.252 -11.634 -24.044 1.00 0.00 H new ATOM 0 HB3 SER A 17 -5.607 -12.158 -24.342 1.00 0.00 H new ATOM 0 HG SER A 17 -6.493 -13.098 -22.414 1.00 0.00 H new ATOM 314 N VAL A 18 -5.517 -10.166 -26.036 1.00 0.00 N ATOM 315 CA VAL A 18 -5.655 -9.660 -27.397 1.00 0.00 C ATOM 316 C VAL A 18 -7.117 -9.396 -27.739 1.00 0.00 C ATOM 317 O VAL A 18 -7.423 -8.610 -28.636 1.00 0.00 O ATOM 318 CB VAL A 18 -5.068 -10.646 -28.424 1.00 0.00 C ATOM 319 CG1 VAL A 18 -5.770 -11.992 -28.334 1.00 0.00 C ATOM 320 CG2 VAL A 18 -5.172 -10.074 -29.830 1.00 0.00 C ATOM 0 H VAL A 18 -5.047 -11.069 -25.967 1.00 0.00 H new ATOM 0 HA VAL A 18 -5.099 -8.724 -27.445 1.00 0.00 H new ATOM 0 HB VAL A 18 -4.013 -10.798 -28.195 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.342 -12.675 -29.067 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.639 -12.404 -27.334 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.833 -11.862 -28.537 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.753 -10.783 -30.543 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.219 -9.892 -30.072 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.619 -9.136 -29.883 1.00 0.00 H new ATOM 330 N ASP A 19 -8.016 -10.058 -27.020 1.00 0.00 N ATOM 331 CA ASP A 19 -9.448 -9.895 -27.246 1.00 0.00 C ATOM 332 C ASP A 19 -9.863 -8.437 -27.070 1.00 0.00 C ATOM 333 O ASP A 19 -10.902 -8.012 -27.574 1.00 0.00 O ATOM 334 CB ASP A 19 -10.242 -10.783 -26.288 1.00 0.00 C ATOM 335 CG ASP A 19 -11.612 -11.140 -26.830 1.00 0.00 C ATOM 336 OD1 ASP A 19 -11.685 -11.987 -27.744 1.00 0.00 O ATOM 337 OD2 ASP A 19 -12.611 -10.571 -26.341 1.00 0.00 O ATOM 0 H ASP A 19 -7.779 -10.713 -26.275 1.00 0.00 H new ATOM 0 HA ASP A 19 -9.665 -10.195 -28.271 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -9.681 -11.698 -26.096 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.355 -10.271 -25.332 1.00 0.00 H new ATOM 342 N ASP A 20 -9.044 -7.677 -26.352 1.00 0.00 N ATOM 343 CA ASP A 20 -9.325 -6.267 -26.110 1.00 0.00 C ATOM 344 C ASP A 20 -8.519 -5.381 -27.055 1.00 0.00 C ATOM 345 O ASP A 20 -8.255 -4.217 -26.756 1.00 0.00 O ATOM 346 CB ASP A 20 -9.010 -5.904 -24.658 1.00 0.00 C ATOM 347 CG ASP A 20 -10.184 -6.151 -23.731 1.00 0.00 C ATOM 348 OD1 ASP A 20 -10.407 -7.320 -23.355 1.00 0.00 O ATOM 349 OD2 ASP A 20 -10.880 -5.174 -23.382 1.00 0.00 O ATOM 0 H ASP A 20 -8.180 -8.014 -25.927 1.00 0.00 H new ATOM 0 HA ASP A 20 -10.385 -6.097 -26.298 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.154 -6.487 -24.318 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.722 -4.854 -24.603 1.00 0.00 H new ATOM 354 N ILE A 21 -8.132 -5.942 -28.196 1.00 0.00 N ATOM 355 CA ILE A 21 -7.356 -5.203 -29.184 1.00 0.00 C ATOM 356 C ILE A 21 -8.092 -5.132 -30.518 1.00 0.00 C ATOM 357 O ILE A 21 -8.761 -6.084 -30.921 1.00 0.00 O ATOM 358 CB ILE A 21 -5.973 -5.842 -29.407 1.00 0.00 C ATOM 359 CG1 ILE A 21 -5.185 -5.875 -28.096 1.00 0.00 C ATOM 360 CG2 ILE A 21 -5.203 -5.080 -30.475 1.00 0.00 C ATOM 361 CD1 ILE A 21 -3.804 -6.476 -28.235 1.00 0.00 C ATOM 0 H ILE A 21 -8.343 -6.905 -28.459 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.222 -4.195 -28.791 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.114 -6.867 -29.750 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.093 -4.859 -27.711 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -5.748 -6.446 -27.358 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -4.228 -5.544 -30.621 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.760 -5.104 -31.412 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.069 -4.046 -30.159 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.304 -6.466 -27.267 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -3.888 -7.503 -28.590 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.223 -5.892 -28.949 1.00 0.00 H new ATOM 373 N ILE A 22 -7.961 -3.999 -31.200 1.00 0.00 N ATOM 374 CA ILE A 22 -8.610 -3.805 -32.490 1.00 0.00 C ATOM 375 C ILE A 22 -7.595 -3.435 -33.567 1.00 0.00 C ATOM 376 O ILE A 22 -6.388 -3.449 -33.326 1.00 0.00 O ATOM 377 CB ILE A 22 -9.688 -2.707 -32.419 1.00 0.00 C ATOM 378 CG1 ILE A 22 -9.042 -1.343 -32.166 1.00 0.00 C ATOM 379 CG2 ILE A 22 -10.701 -3.029 -31.330 1.00 0.00 C ATOM 380 CD1 ILE A 22 -10.038 -0.207 -32.096 1.00 0.00 C ATOM 0 H ILE A 22 -7.411 -3.202 -30.880 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.083 -4.752 -32.750 1.00 0.00 H new ATOM 0 HB ILE A 22 -10.210 -2.669 -33.375 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.482 -1.383 -31.232 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.324 -1.137 -32.960 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -11.456 -2.244 -31.292 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -11.180 -3.983 -31.549 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -10.193 -3.091 -30.367 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -9.510 0.729 -31.915 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -10.581 -0.141 -33.039 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -10.742 -0.390 -31.284 1.00 0.00 H new ATOM 392 N ILE A 23 -8.094 -3.104 -34.753 1.00 0.00 N ATOM 393 CA ILE A 23 -7.230 -2.727 -35.866 1.00 0.00 C ATOM 394 C ILE A 23 -6.975 -1.224 -35.879 1.00 0.00 C ATOM 395 O ILE A 23 -7.828 -0.434 -35.474 1.00 0.00 O ATOM 396 CB ILE A 23 -7.839 -3.145 -37.217 1.00 0.00 C ATOM 397 CG1 ILE A 23 -8.293 -4.606 -37.167 1.00 0.00 C ATOM 398 CG2 ILE A 23 -6.833 -2.935 -38.339 1.00 0.00 C ATOM 399 CD1 ILE A 23 -7.181 -5.572 -36.821 1.00 0.00 C ATOM 0 H ILE A 23 -9.091 -3.089 -34.968 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.285 -3.252 -35.725 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.710 -2.520 -37.415 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.092 -4.705 -36.432 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.714 -4.881 -38.134 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.278 -3.235 -39.288 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.555 -1.882 -38.386 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.945 -3.537 -38.149 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -7.574 -6.588 -36.803 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.392 -5.501 -37.569 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.775 -5.323 -35.841 1.00 0.00 H new ATOM 411 N LYS A 24 -5.795 -0.834 -36.349 1.00 0.00 N ATOM 412 CA LYS A 24 -5.426 0.575 -36.419 1.00 0.00 C ATOM 413 C LYS A 24 -5.366 1.191 -35.026 1.00 0.00 C ATOM 414 O LYS A 24 -5.767 2.339 -34.826 1.00 0.00 O ATOM 415 CB LYS A 24 -6.428 1.343 -37.285 1.00 0.00 C ATOM 416 CG LYS A 24 -6.773 0.638 -38.586 1.00 0.00 C ATOM 417 CD LYS A 24 -7.209 1.625 -39.656 1.00 0.00 C ATOM 418 CE LYS A 24 -6.020 2.159 -40.439 1.00 0.00 C ATOM 419 NZ LYS A 24 -5.427 3.364 -39.794 1.00 0.00 N ATOM 0 H LYS A 24 -5.077 -1.475 -36.687 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.436 0.644 -36.871 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.343 1.502 -36.714 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.019 2.328 -37.512 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.907 0.077 -38.938 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.570 -0.084 -38.409 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -7.907 1.139 -40.338 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.743 2.454 -39.192 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.261 1.381 -40.522 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.335 2.407 -41.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.116 4.033 -40.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.140 3.820 -39.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.611 3.081 -39.214 1.00 0.00 H new ATOM 433 N CYS A 25 -4.861 0.424 -34.066 1.00 0.00 N ATOM 434 CA CYS A 25 -4.748 0.896 -32.690 1.00 0.00 C ATOM 435 C CYS A 25 -3.299 1.224 -32.346 1.00 0.00 C ATOM 436 O CYS A 25 -2.371 0.669 -32.934 1.00 0.00 O ATOM 437 CB CYS A 25 -5.289 -0.157 -31.722 1.00 0.00 C ATOM 438 SG CYS A 25 -5.913 0.522 -30.167 1.00 0.00 S ATOM 0 H CYS A 25 -4.523 -0.527 -34.215 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.340 1.806 -32.594 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -6.091 -0.709 -32.213 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.498 -0.873 -31.502 1.00 0.00 H new ATOM 0 HG CYS A 25 -6.351 -0.445 -29.416 1.00 0.00 H new ATOM 444 N GLN A 26 -3.113 2.130 -31.391 1.00 0.00 N ATOM 445 CA GLN A 26 -1.776 2.533 -30.971 1.00 0.00 C ATOM 446 C GLN A 26 -1.284 1.666 -29.817 1.00 0.00 C ATOM 447 O GLN A 26 -1.961 1.529 -28.797 1.00 0.00 O ATOM 448 CB GLN A 26 -1.772 4.005 -30.556 1.00 0.00 C ATOM 449 CG GLN A 26 -2.669 4.305 -29.366 1.00 0.00 C ATOM 450 CD GLN A 26 -3.237 5.710 -29.403 1.00 0.00 C ATOM 451 OE1 GLN A 26 -3.649 6.198 -30.456 1.00 0.00 O ATOM 452 NE2 GLN A 26 -3.263 6.369 -28.250 1.00 0.00 N ATOM 0 H GLN A 26 -3.871 2.598 -30.894 1.00 0.00 H new ATOM 0 HA GLN A 26 -1.101 2.399 -31.816 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.752 4.303 -30.315 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.090 4.613 -31.403 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.488 3.586 -29.343 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.102 4.171 -28.445 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.911 5.926 -27.401 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -3.635 7.318 -28.213 1.00 0.00 H new ATOM 461 N CYS A 27 -0.102 1.083 -29.985 1.00 0.00 N ATOM 462 CA CYS A 27 0.481 0.227 -28.957 1.00 0.00 C ATOM 463 C CYS A 27 1.921 0.635 -28.663 1.00 0.00 C ATOM 464 O CYS A 27 2.704 0.888 -29.578 1.00 0.00 O ATOM 465 CB CYS A 27 0.432 -1.237 -29.395 1.00 0.00 C ATOM 466 SG CYS A 27 1.389 -1.594 -30.887 1.00 0.00 S ATOM 0 H CYS A 27 0.471 1.187 -30.822 1.00 0.00 H new ATOM 0 HA CYS A 27 -0.104 0.345 -28.045 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.802 -1.861 -28.581 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -0.607 -1.519 -29.566 1.00 0.00 H new ATOM 0 HG CYS A 27 1.735 -0.478 -31.458 1.00 0.00 H new ATOM 472 N TRP A 28 2.261 0.699 -27.381 1.00 0.00 N ATOM 473 CA TRP A 28 3.607 1.078 -26.966 1.00 0.00 C ATOM 474 C TRP A 28 4.434 -0.152 -26.608 1.00 0.00 C ATOM 475 O TRP A 28 3.989 -1.011 -25.846 1.00 0.00 O ATOM 476 CB TRP A 28 3.545 2.031 -25.771 1.00 0.00 C ATOM 477 CG TRP A 28 3.455 3.474 -26.166 1.00 0.00 C ATOM 478 CD1 TRP A 28 2.316 4.187 -26.408 1.00 0.00 C ATOM 479 CD2 TRP A 28 4.547 4.377 -26.365 1.00 0.00 C ATOM 480 NE1 TRP A 28 2.634 5.480 -26.747 1.00 0.00 N ATOM 481 CE2 TRP A 28 3.996 5.623 -26.727 1.00 0.00 C ATOM 482 CE3 TRP A 28 5.936 4.257 -26.272 1.00 0.00 C ATOM 483 CZ2 TRP A 28 4.788 6.736 -26.995 1.00 0.00 C ATOM 484 CZ3 TRP A 28 6.720 5.363 -26.539 1.00 0.00 C ATOM 485 CH2 TRP A 28 6.145 6.590 -26.897 1.00 0.00 C ATOM 0 H TRP A 28 1.624 0.494 -26.611 1.00 0.00 H new ATOM 0 HA TRP A 28 4.088 1.585 -27.802 1.00 0.00 H new ATOM 0 HB2 TRP A 28 2.682 1.776 -25.156 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.431 1.885 -25.153 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.313 3.793 -26.343 1.00 0.00 H new ATOM 0 HE1 TRP A 28 1.964 6.214 -26.976 1.00 0.00 H new ATOM 0 HE3 TRP A 28 6.389 3.316 -25.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 4.347 7.682 -27.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 7.795 5.281 -26.471 1.00 0.00 H new ATOM 0 HH2 TRP A 28 6.785 7.436 -27.099 1.00 0.00 H new ATOM 496 N VAL A 29 5.639 -0.232 -27.163 1.00 0.00 N ATOM 497 CA VAL A 29 6.528 -1.358 -26.901 1.00 0.00 C ATOM 498 C VAL A 29 7.582 -0.995 -25.861 1.00 0.00 C ATOM 499 O VAL A 29 8.461 -0.172 -26.115 1.00 0.00 O ATOM 500 CB VAL A 29 7.234 -1.827 -28.188 1.00 0.00 C ATOM 501 CG1 VAL A 29 8.183 -2.977 -27.887 1.00 0.00 C ATOM 502 CG2 VAL A 29 6.211 -2.229 -29.239 1.00 0.00 C ATOM 0 H VAL A 29 6.022 0.469 -27.797 1.00 0.00 H new ATOM 0 HA VAL A 29 5.908 -2.169 -26.519 1.00 0.00 H new ATOM 0 HB VAL A 29 7.821 -0.998 -28.584 1.00 0.00 H new ATOM 0 HG11 VAL A 29 8.673 -3.295 -28.807 1.00 0.00 H new ATOM 0 HG12 VAL A 29 8.936 -2.649 -27.170 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.622 -3.812 -27.467 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.726 -2.558 -30.141 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.596 -3.043 -28.855 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.576 -1.375 -29.474 1.00 0.00 H new ATOM 512 N GLN A 30 7.486 -1.615 -24.689 1.00 0.00 N ATOM 513 CA GLN A 30 8.431 -1.357 -23.609 1.00 0.00 C ATOM 514 C GLN A 30 9.740 -2.103 -23.842 1.00 0.00 C ATOM 515 O GLN A 30 9.821 -3.316 -23.640 1.00 0.00 O ATOM 516 CB GLN A 30 7.827 -1.768 -22.265 1.00 0.00 C ATOM 517 CG GLN A 30 8.651 -1.325 -21.067 1.00 0.00 C ATOM 518 CD GLN A 30 7.875 -1.394 -19.767 1.00 0.00 C ATOM 519 OE1 GLN A 30 6.728 -1.843 -19.738 1.00 0.00 O ATOM 520 NE2 GLN A 30 8.496 -0.949 -18.681 1.00 0.00 N ATOM 0 H GLN A 30 6.764 -2.299 -24.463 1.00 0.00 H new ATOM 0 HA GLN A 30 8.642 -0.288 -23.592 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.825 -1.347 -22.182 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.720 -2.852 -22.241 1.00 0.00 H new ATOM 0 HG2 GLN A 30 9.539 -1.953 -20.989 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.996 -0.303 -21.226 1.00 0.00 H new ATOM 0 HE21 GLN A 30 9.446 -0.585 -18.750 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.023 -0.971 -17.778 1.00 0.00 H new ATOM 529 N LYS A 31 10.765 -1.373 -24.267 1.00 0.00 N ATOM 530 CA LYS A 31 12.072 -1.964 -24.527 1.00 0.00 C ATOM 531 C LYS A 31 12.842 -2.174 -23.227 1.00 0.00 C ATOM 532 O LYS A 31 12.484 -1.624 -22.186 1.00 0.00 O ATOM 533 CB LYS A 31 12.880 -1.072 -25.472 1.00 0.00 C ATOM 534 CG LYS A 31 13.733 -1.849 -26.460 1.00 0.00 C ATOM 535 CD LYS A 31 12.878 -2.673 -27.408 1.00 0.00 C ATOM 536 CE LYS A 31 13.615 -2.976 -28.703 1.00 0.00 C ATOM 537 NZ LYS A 31 13.067 -4.182 -29.384 1.00 0.00 N ATOM 0 H LYS A 31 10.716 -0.369 -24.439 1.00 0.00 H new ATOM 0 HA LYS A 31 11.917 -2.935 -24.998 1.00 0.00 H new ATOM 0 HB2 LYS A 31 12.196 -0.427 -26.024 1.00 0.00 H new ATOM 0 HB3 LYS A 31 13.525 -0.421 -24.881 1.00 0.00 H new ATOM 0 HG2 LYS A 31 14.349 -1.156 -27.033 1.00 0.00 H new ATOM 0 HG3 LYS A 31 14.413 -2.506 -25.917 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.593 -3.607 -26.924 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.957 -2.134 -27.630 1.00 0.00 H new ATOM 0 HE2 LYS A 31 13.543 -2.118 -29.371 1.00 0.00 H new ATOM 0 HE3 LYS A 31 14.673 -3.128 -28.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.596 -4.355 -30.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.158 -5.006 -28.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.063 -4.028 -29.609 1.00 0.00 H new ATOM 551 N ASN A 32 13.903 -2.973 -23.295 1.00 0.00 N ATOM 552 CA ASN A 32 14.724 -3.255 -22.123 1.00 0.00 C ATOM 553 C ASN A 32 15.145 -1.962 -21.430 1.00 0.00 C ATOM 554 O ASN A 32 14.780 -1.714 -20.281 1.00 0.00 O ATOM 555 CB ASN A 32 15.962 -4.059 -22.524 1.00 0.00 C ATOM 556 CG ASN A 32 15.642 -5.515 -22.800 1.00 0.00 C ATOM 557 OD1 ASN A 32 14.705 -5.827 -23.536 1.00 0.00 O ATOM 558 ND2 ASN A 32 16.419 -6.414 -22.210 1.00 0.00 N ATOM 0 H ASN A 32 14.214 -3.436 -24.149 1.00 0.00 H new ATOM 0 HA ASN A 32 14.128 -3.843 -21.425 1.00 0.00 H new ATOM 0 HB2 ASN A 32 16.409 -3.613 -23.413 1.00 0.00 H new ATOM 0 HB3 ASN A 32 16.705 -3.998 -21.729 1.00 0.00 H new ATOM 0 HD21 ASN A 32 16.251 -7.409 -22.358 1.00 0.00 H new ATOM 0 HD22 ASN A 32 17.184 -6.110 -21.608 1.00 0.00 H new ATOM 565 N ASP A 33 15.914 -1.142 -22.138 1.00 0.00 N ATOM 566 CA ASP A 33 16.384 0.126 -21.593 1.00 0.00 C ATOM 567 C ASP A 33 15.945 1.292 -22.473 1.00 0.00 C ATOM 568 O ASP A 33 16.500 2.387 -22.391 1.00 0.00 O ATOM 569 CB ASP A 33 17.908 0.116 -21.461 1.00 0.00 C ATOM 570 CG ASP A 33 18.370 -0.460 -20.137 1.00 0.00 C ATOM 571 OD1 ASP A 33 17.882 0.003 -19.085 1.00 0.00 O ATOM 572 OD2 ASP A 33 19.220 -1.375 -20.154 1.00 0.00 O ATOM 0 H ASP A 33 16.225 -1.333 -23.090 1.00 0.00 H new ATOM 0 HA ASP A 33 15.943 0.254 -20.605 1.00 0.00 H new ATOM 0 HB2 ASP A 33 18.337 -0.466 -22.277 1.00 0.00 H new ATOM 0 HB3 ASP A 33 18.285 1.133 -21.563 1.00 0.00 H new ATOM 577 N GLU A 34 14.946 1.048 -23.315 1.00 0.00 N ATOM 578 CA GLU A 34 14.434 2.078 -24.212 1.00 0.00 C ATOM 579 C GLU A 34 12.913 2.007 -24.310 1.00 0.00 C ATOM 580 O GLU A 34 12.275 1.196 -23.640 1.00 0.00 O ATOM 581 CB GLU A 34 15.053 1.928 -25.603 1.00 0.00 C ATOM 582 CG GLU A 34 16.531 2.277 -25.653 1.00 0.00 C ATOM 583 CD GLU A 34 17.079 2.296 -27.066 1.00 0.00 C ATOM 584 OE1 GLU A 34 16.279 2.471 -28.010 1.00 0.00 O ATOM 585 OE2 GLU A 34 18.307 2.137 -27.230 1.00 0.00 O ATOM 0 H GLU A 34 14.475 0.147 -23.395 1.00 0.00 H new ATOM 0 HA GLU A 34 14.710 3.050 -23.802 1.00 0.00 H new ATOM 0 HB2 GLU A 34 14.919 0.901 -25.942 1.00 0.00 H new ATOM 0 HB3 GLU A 34 14.514 2.567 -26.302 1.00 0.00 H new ATOM 0 HG2 GLU A 34 16.685 3.254 -25.194 1.00 0.00 H new ATOM 0 HG3 GLU A 34 17.091 1.554 -25.060 1.00 0.00 H new ATOM 592 N GLU A 35 12.340 2.864 -25.150 1.00 0.00 N ATOM 593 CA GLU A 35 10.894 2.899 -25.334 1.00 0.00 C ATOM 594 C GLU A 35 10.538 3.108 -26.804 1.00 0.00 C ATOM 595 O GLU A 35 11.008 4.051 -27.439 1.00 0.00 O ATOM 596 CB GLU A 35 10.276 4.013 -24.486 1.00 0.00 C ATOM 597 CG GLU A 35 9.919 3.576 -23.075 1.00 0.00 C ATOM 598 CD GLU A 35 8.808 4.413 -22.470 1.00 0.00 C ATOM 599 OE1 GLU A 35 9.099 5.528 -21.990 1.00 0.00 O ATOM 600 OE2 GLU A 35 7.648 3.950 -22.476 1.00 0.00 O ATOM 0 H GLU A 35 12.854 3.542 -25.713 1.00 0.00 H new ATOM 0 HA GLU A 35 10.489 1.940 -25.012 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.975 4.848 -24.433 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.378 4.380 -24.982 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.615 2.529 -23.089 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.804 3.642 -22.443 1.00 0.00 H new ATOM 607 N ARG A 36 9.705 2.219 -27.336 1.00 0.00 N ATOM 608 CA ARG A 36 9.286 2.304 -28.730 1.00 0.00 C ATOM 609 C ARG A 36 7.768 2.413 -28.837 1.00 0.00 C ATOM 610 O ARG A 36 7.041 2.016 -27.925 1.00 0.00 O ATOM 611 CB ARG A 36 9.776 1.080 -29.507 1.00 0.00 C ATOM 612 CG ARG A 36 10.093 1.371 -30.964 1.00 0.00 C ATOM 613 CD ARG A 36 11.361 2.198 -31.105 1.00 0.00 C ATOM 614 NE ARG A 36 12.564 1.396 -30.898 1.00 0.00 N ATOM 615 CZ ARG A 36 13.786 1.911 -30.818 1.00 0.00 C ATOM 616 NH1 ARG A 36 13.966 3.220 -30.927 1.00 0.00 N ATOM 617 NH2 ARG A 36 14.831 1.116 -30.629 1.00 0.00 N ATOM 0 H ARG A 36 9.307 1.432 -26.823 1.00 0.00 H new ATOM 0 HA ARG A 36 9.728 3.202 -29.162 1.00 0.00 H new ATOM 0 HB2 ARG A 36 10.669 0.685 -29.022 1.00 0.00 H new ATOM 0 HB3 ARG A 36 9.016 0.301 -29.458 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.207 0.433 -31.507 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.258 1.903 -31.420 1.00 0.00 H new ATOM 0 HD2 ARG A 36 11.392 2.648 -32.097 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.342 3.016 -30.385 1.00 0.00 H new ATOM 0 HE ARG A 36 12.460 0.385 -30.810 1.00 0.00 H new ATOM 0 HH11 ARG A 36 13.165 3.835 -31.073 1.00 0.00 H new ATOM 0 HH12 ARG A 36 14.905 3.613 -30.865 1.00 0.00 H new ATOM 0 HH21 ARG A 36 14.697 0.108 -30.545 1.00 0.00 H new ATOM 0 HH22 ARG A 36 15.769 1.512 -30.568 1.00 0.00 H new ATOM 631 N LEU A 37 7.296 2.955 -29.954 1.00 0.00 N ATOM 632 CA LEU A 37 5.864 3.117 -30.180 1.00 0.00 C ATOM 633 C LEU A 37 5.489 2.714 -31.603 1.00 0.00 C ATOM 634 O LEU A 37 6.074 3.199 -32.571 1.00 0.00 O ATOM 635 CB LEU A 37 5.449 4.566 -29.922 1.00 0.00 C ATOM 636 CG LEU A 37 3.971 4.890 -30.143 1.00 0.00 C ATOM 637 CD1 LEU A 37 3.694 5.143 -31.617 1.00 0.00 C ATOM 638 CD2 LEU A 37 3.093 3.762 -29.620 1.00 0.00 C ATOM 0 H LEU A 37 7.884 3.290 -30.717 1.00 0.00 H new ATOM 0 HA LEU A 37 5.334 2.465 -29.486 1.00 0.00 H new ATOM 0 HB2 LEU A 37 5.706 4.819 -28.893 1.00 0.00 H new ATOM 0 HB3 LEU A 37 6.043 5.213 -30.567 1.00 0.00 H new ATOM 0 HG LEU A 37 3.732 5.797 -29.588 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.637 5.372 -31.755 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.295 5.985 -31.961 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.951 4.254 -32.193 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.045 4.010 -29.786 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.335 2.839 -30.146 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.270 3.628 -28.553 1.00 0.00 H new ATOM 650 N ALA A 38 4.507 1.826 -31.720 1.00 0.00 N ATOM 651 CA ALA A 38 4.050 1.361 -33.024 1.00 0.00 C ATOM 652 C ALA A 38 2.533 1.208 -33.052 1.00 0.00 C ATOM 653 O ALA A 38 1.877 1.256 -32.012 1.00 0.00 O ATOM 654 CB ALA A 38 4.722 0.043 -33.380 1.00 0.00 C ATOM 0 H ALA A 38 4.013 1.415 -30.928 1.00 0.00 H new ATOM 0 HA ALA A 38 4.327 2.110 -33.766 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.371 -0.292 -34.356 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.803 0.182 -33.411 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.474 -0.706 -32.628 1.00 0.00 H new ATOM 660 N GLU A 39 1.983 1.025 -34.248 1.00 0.00 N ATOM 661 CA GLU A 39 0.543 0.867 -34.410 1.00 0.00 C ATOM 662 C GLU A 39 0.199 -0.543 -34.881 1.00 0.00 C ATOM 663 O GLU A 39 1.070 -1.287 -35.332 1.00 0.00 O ATOM 664 CB GLU A 39 0.003 1.895 -35.406 1.00 0.00 C ATOM 665 CG GLU A 39 -1.422 2.336 -35.114 1.00 0.00 C ATOM 666 CD GLU A 39 -1.824 3.567 -35.903 1.00 0.00 C ATOM 667 OE1 GLU A 39 -1.944 3.465 -37.142 1.00 0.00 O ATOM 668 OE2 GLU A 39 -2.020 4.632 -35.281 1.00 0.00 O ATOM 0 H GLU A 39 2.513 0.983 -35.119 1.00 0.00 H new ATOM 0 HA GLU A 39 0.075 1.031 -33.440 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.653 2.770 -35.401 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.045 1.473 -36.410 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.106 1.520 -35.347 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.524 2.543 -34.049 1.00 0.00 H new ATOM 675 N ILE A 40 -1.075 -0.903 -34.772 1.00 0.00 N ATOM 676 CA ILE A 40 -1.534 -2.223 -35.188 1.00 0.00 C ATOM 677 C ILE A 40 -2.180 -2.171 -36.568 1.00 0.00 C ATOM 678 O ILE A 40 -3.156 -1.450 -36.782 1.00 0.00 O ATOM 679 CB ILE A 40 -2.542 -2.810 -34.182 1.00 0.00 C ATOM 680 CG1 ILE A 40 -1.907 -2.918 -32.794 1.00 0.00 C ATOM 681 CG2 ILE A 40 -3.029 -4.171 -34.656 1.00 0.00 C ATOM 682 CD1 ILE A 40 -0.656 -3.768 -32.767 1.00 0.00 C ATOM 0 H ILE A 40 -1.808 -0.300 -34.399 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.655 -2.866 -35.226 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.400 -2.141 -34.116 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.665 -1.918 -32.435 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.637 -3.337 -32.101 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.741 -4.574 -33.935 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.515 -4.066 -35.626 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.181 -4.850 -34.747 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.260 -3.800 -31.752 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -0.896 -4.779 -33.095 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.091 -3.338 -33.434 1.00 0.00 H new ATOM 694 N LEU A 41 -1.632 -2.941 -37.501 1.00 0.00 N ATOM 695 CA LEU A 41 -2.156 -2.985 -38.862 1.00 0.00 C ATOM 696 C LEU A 41 -3.006 -4.233 -39.078 1.00 0.00 C ATOM 697 O LEU A 41 -4.225 -4.149 -39.224 1.00 0.00 O ATOM 698 CB LEU A 41 -1.009 -2.954 -39.873 1.00 0.00 C ATOM 699 CG LEU A 41 -0.004 -1.812 -39.713 1.00 0.00 C ATOM 700 CD1 LEU A 41 1.109 -1.932 -40.742 1.00 0.00 C ATOM 701 CD2 LEU A 41 -0.703 -0.466 -39.835 1.00 0.00 C ATOM 0 H LEU A 41 -0.825 -3.544 -37.340 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.786 -2.108 -39.011 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.469 -3.898 -39.809 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.435 -2.898 -40.875 1.00 0.00 H new ATOM 0 HG LEU A 41 0.439 -1.880 -38.720 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.814 -1.111 -40.613 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.628 -2.881 -40.607 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.684 -1.890 -41.745 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.027 0.335 -39.719 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.174 -0.388 -40.815 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.464 -0.379 -39.059 1.00 0.00 H new ATOM 713 N SER A 42 -2.353 -5.391 -39.094 1.00 0.00 N ATOM 714 CA SER A 42 -3.049 -6.657 -39.294 1.00 0.00 C ATOM 715 C SER A 42 -2.866 -7.573 -38.087 1.00 0.00 C ATOM 716 O SER A 42 -2.036 -7.312 -37.216 1.00 0.00 O ATOM 717 CB SER A 42 -2.536 -7.351 -40.557 1.00 0.00 C ATOM 718 OG SER A 42 -3.430 -8.366 -40.980 1.00 0.00 O ATOM 0 H SER A 42 -1.344 -5.479 -38.971 1.00 0.00 H new ATOM 0 HA SER A 42 -4.112 -6.445 -39.411 1.00 0.00 H new ATOM 0 HB2 SER A 42 -2.411 -6.617 -41.353 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.554 -7.784 -40.365 1.00 0.00 H new ATOM 0 HG SER A 42 -3.080 -8.793 -41.790 1.00 0.00 H new ATOM 724 N ILE A 43 -3.648 -8.647 -38.044 1.00 0.00 N ATOM 725 CA ILE A 43 -3.572 -9.602 -36.945 1.00 0.00 C ATOM 726 C ILE A 43 -3.700 -11.035 -37.453 1.00 0.00 C ATOM 727 O ILE A 43 -4.709 -11.403 -38.053 1.00 0.00 O ATOM 728 CB ILE A 43 -4.669 -9.342 -35.896 1.00 0.00 C ATOM 729 CG1 ILE A 43 -4.533 -7.929 -35.325 1.00 0.00 C ATOM 730 CG2 ILE A 43 -4.595 -10.378 -34.784 1.00 0.00 C ATOM 731 CD1 ILE A 43 -5.593 -7.586 -34.301 1.00 0.00 C ATOM 0 H ILE A 43 -4.341 -8.877 -38.757 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.596 -9.469 -36.478 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.642 -9.426 -36.380 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -3.549 -7.824 -34.867 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.582 -7.209 -36.142 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.377 -10.181 -34.050 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.735 -11.374 -35.205 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.620 -10.323 -34.299 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.434 -6.570 -33.940 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.579 -7.658 -34.760 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.530 -8.282 -33.465 1.00 0.00 H new ATOM 743 N ASN A 44 -2.671 -11.838 -37.206 1.00 0.00 N ATOM 744 CA ASN A 44 -2.668 -13.231 -37.637 1.00 0.00 C ATOM 745 C ASN A 44 -3.030 -14.159 -36.481 1.00 0.00 C ATOM 746 O ASN A 44 -2.455 -14.071 -35.396 1.00 0.00 O ATOM 747 CB ASN A 44 -1.297 -13.611 -38.200 1.00 0.00 C ATOM 748 CG ASN A 44 -1.077 -15.111 -38.226 1.00 0.00 C ATOM 749 OD1 ASN A 44 -1.395 -15.779 -39.209 1.00 0.00 O ATOM 750 ND2 ASN A 44 -0.531 -15.648 -37.140 1.00 0.00 N ATOM 0 H ASN A 44 -1.828 -11.548 -36.710 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.418 -13.344 -38.420 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -1.200 -13.215 -39.211 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.518 -13.143 -37.598 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.360 -16.653 -37.099 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.283 -15.055 -36.348 1.00 0.00 H new ATOM 757 N THR A 45 -3.988 -15.049 -36.722 1.00 0.00 N ATOM 758 CA THR A 45 -4.428 -15.993 -35.702 1.00 0.00 C ATOM 759 C THR A 45 -4.066 -17.424 -36.084 1.00 0.00 C ATOM 760 O THR A 45 -4.870 -18.342 -35.920 1.00 0.00 O ATOM 761 CB THR A 45 -5.948 -15.904 -35.472 1.00 0.00 C ATOM 762 OG1 THR A 45 -6.638 -15.977 -36.724 1.00 0.00 O ATOM 763 CG2 THR A 45 -6.313 -14.609 -34.761 1.00 0.00 C ATOM 0 H THR A 45 -4.474 -15.136 -37.615 1.00 0.00 H new ATOM 0 HA THR A 45 -3.912 -15.725 -34.780 1.00 0.00 H new ATOM 0 HB THR A 45 -6.248 -16.742 -34.843 1.00 0.00 H new ATOM 0 HG1 THR A 45 -7.604 -15.921 -36.569 1.00 0.00 H new ATOM 0 HG21 THR A 45 -7.392 -14.569 -34.610 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.809 -14.570 -33.795 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.000 -13.760 -35.368 1.00 0.00 H new ATOM 771 N ARG A 46 -2.853 -17.606 -36.594 1.00 0.00 N ATOM 772 CA ARG A 46 -2.385 -18.926 -37.000 1.00 0.00 C ATOM 773 C ARG A 46 -1.847 -19.705 -35.803 1.00 0.00 C ATOM 774 O ARG A 46 -2.263 -20.835 -35.545 1.00 0.00 O ATOM 775 CB ARG A 46 -1.299 -18.799 -38.070 1.00 0.00 C ATOM 776 CG ARG A 46 -1.058 -20.082 -38.849 1.00 0.00 C ATOM 777 CD ARG A 46 -0.274 -19.820 -40.125 1.00 0.00 C ATOM 778 NE ARG A 46 0.080 -21.058 -40.814 1.00 0.00 N ATOM 779 CZ ARG A 46 0.733 -21.095 -41.970 1.00 0.00 C ATOM 780 NH1 ARG A 46 1.100 -19.968 -42.564 1.00 0.00 N ATOM 781 NH2 ARG A 46 1.019 -22.261 -42.535 1.00 0.00 N ATOM 0 H ARG A 46 -2.176 -16.856 -36.736 1.00 0.00 H new ATOM 0 HA ARG A 46 -3.232 -19.472 -37.415 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.578 -18.008 -38.766 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.367 -18.492 -37.595 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.513 -20.791 -38.225 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -2.014 -20.544 -39.096 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.865 -19.191 -40.791 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.634 -19.266 -39.885 1.00 0.00 H new ATOM 0 HE ARG A 46 -0.189 -21.943 -40.384 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.881 -19.070 -42.133 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.601 -19.999 -43.452 1.00 0.00 H new ATOM 0 HH21 ARG A 46 0.737 -23.130 -42.082 1.00 0.00 H new ATOM 0 HH22 ARG A 46 1.520 -22.288 -43.423 1.00 0.00 H new ATOM 795 N LYS A 47 -0.919 -19.093 -35.075 1.00 0.00 N ATOM 796 CA LYS A 47 -0.324 -19.727 -33.905 1.00 0.00 C ATOM 797 C LYS A 47 -0.922 -19.166 -32.618 1.00 0.00 C ATOM 798 O LYS A 47 -1.851 -18.359 -32.655 1.00 0.00 O ATOM 799 CB LYS A 47 1.193 -19.523 -33.905 1.00 0.00 C ATOM 800 CG LYS A 47 1.612 -18.072 -33.744 1.00 0.00 C ATOM 801 CD LYS A 47 2.775 -17.932 -32.776 1.00 0.00 C ATOM 802 CE LYS A 47 3.857 -17.020 -33.333 1.00 0.00 C ATOM 803 NZ LYS A 47 4.927 -17.789 -34.027 1.00 0.00 N ATOM 0 H LYS A 47 -0.563 -18.158 -35.275 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.542 -20.794 -33.951 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.630 -20.110 -33.097 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.603 -19.909 -34.838 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.894 -17.664 -34.715 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.766 -17.486 -33.385 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.414 -17.534 -31.828 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.198 -18.915 -32.569 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.411 -16.310 -34.029 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.295 -16.439 -32.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.645 -17.132 -34.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.370 -18.449 -33.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.513 -18.324 -34.817 1.00 0.00 H new ATOM 817 N ALA A 48 -0.382 -19.597 -31.483 1.00 0.00 N ATOM 818 CA ALA A 48 -0.860 -19.134 -30.186 1.00 0.00 C ATOM 819 C ALA A 48 0.303 -18.835 -29.247 1.00 0.00 C ATOM 820 O ALA A 48 1.130 -19.697 -28.949 1.00 0.00 O ATOM 821 CB ALA A 48 -1.789 -20.168 -29.567 1.00 0.00 C ATOM 0 H ALA A 48 0.387 -20.266 -31.435 1.00 0.00 H new ATOM 0 HA ALA A 48 -1.415 -18.209 -30.340 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.139 -19.810 -28.599 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.643 -20.329 -30.224 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.251 -21.107 -29.434 1.00 0.00 H new ATOM 827 N PRO A 49 0.372 -17.584 -28.768 1.00 0.00 N ATOM 828 CA PRO A 49 -0.606 -16.549 -29.115 1.00 0.00 C ATOM 829 C PRO A 49 -0.488 -16.104 -30.569 1.00 0.00 C ATOM 830 O PRO A 49 0.476 -16.424 -31.265 1.00 0.00 O ATOM 831 CB PRO A 49 -0.253 -15.396 -28.172 1.00 0.00 C ATOM 832 CG PRO A 49 1.188 -15.596 -27.853 1.00 0.00 C ATOM 833 CD PRO A 49 1.409 -17.083 -27.851 1.00 0.00 C ATOM 0 HA PRO A 49 -1.631 -16.905 -29.009 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.423 -14.430 -28.647 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.865 -15.420 -27.270 1.00 0.00 H new ATOM 0 HG2 PRO A 49 1.823 -15.108 -28.593 1.00 0.00 H new ATOM 0 HG3 PRO A 49 1.437 -15.163 -26.884 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.410 -17.341 -28.197 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.299 -17.504 -26.852 1.00 0.00 H new ATOM 841 N PRO A 50 -1.490 -15.347 -31.041 1.00 0.00 N ATOM 842 CA PRO A 50 -1.519 -14.841 -32.416 1.00 0.00 C ATOM 843 C PRO A 50 -0.463 -13.769 -32.662 1.00 0.00 C ATOM 844 O PRO A 50 0.094 -13.203 -31.721 1.00 0.00 O ATOM 845 CB PRO A 50 -2.924 -14.246 -32.545 1.00 0.00 C ATOM 846 CG PRO A 50 -3.317 -13.896 -31.151 1.00 0.00 C ATOM 847 CD PRO A 50 -2.670 -14.927 -30.267 1.00 0.00 C ATOM 0 HA PRO A 50 -1.304 -15.624 -33.143 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -2.924 -13.366 -33.189 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -3.618 -14.962 -32.984 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.980 -12.892 -30.891 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -4.401 -13.908 -31.036 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -2.389 -14.508 -29.301 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -3.340 -15.764 -30.069 1.00 0.00 H new ATOM 855 N LYS A 51 -0.192 -13.493 -33.933 1.00 0.00 N ATOM 856 CA LYS A 51 0.796 -12.487 -34.304 1.00 0.00 C ATOM 857 C LYS A 51 0.120 -11.172 -34.680 1.00 0.00 C ATOM 858 O LYS A 51 -1.036 -11.156 -35.103 1.00 0.00 O ATOM 859 CB LYS A 51 1.648 -12.986 -35.473 1.00 0.00 C ATOM 860 CG LYS A 51 2.206 -14.384 -35.266 1.00 0.00 C ATOM 861 CD LYS A 51 3.481 -14.599 -36.064 1.00 0.00 C ATOM 862 CE LYS A 51 3.217 -14.550 -37.561 1.00 0.00 C ATOM 863 NZ LYS A 51 2.481 -15.755 -38.034 1.00 0.00 N ATOM 0 H LYS A 51 -0.643 -13.952 -34.724 1.00 0.00 H new ATOM 0 HA LYS A 51 1.439 -12.311 -33.442 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.046 -12.975 -36.381 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.475 -12.293 -35.631 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.407 -14.543 -34.207 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.461 -15.122 -35.563 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.212 -13.835 -35.797 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.917 -15.563 -35.802 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.641 -13.656 -37.799 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.164 -14.470 -38.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 3.080 -16.291 -38.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.239 -16.356 -37.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 1.609 -15.461 -38.519 1.00 0.00 H new ATOM 877 N PHE A 52 0.848 -10.072 -34.524 1.00 0.00 N ATOM 878 CA PHE A 52 0.319 -8.752 -34.847 1.00 0.00 C ATOM 879 C PHE A 52 1.337 -7.936 -35.638 1.00 0.00 C ATOM 880 O PHE A 52 2.532 -7.959 -35.342 1.00 0.00 O ATOM 881 CB PHE A 52 -0.066 -8.006 -33.567 1.00 0.00 C ATOM 882 CG PHE A 52 -0.789 -8.863 -32.568 1.00 0.00 C ATOM 883 CD1 PHE A 52 -1.968 -9.506 -32.911 1.00 0.00 C ATOM 884 CD2 PHE A 52 -0.290 -9.027 -31.286 1.00 0.00 C ATOM 885 CE1 PHE A 52 -2.635 -10.296 -31.994 1.00 0.00 C ATOM 886 CE2 PHE A 52 -0.952 -9.816 -30.365 1.00 0.00 C ATOM 887 CZ PHE A 52 -2.127 -10.450 -30.719 1.00 0.00 C ATOM 0 H PHE A 52 1.807 -10.068 -34.176 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.570 -8.886 -35.463 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.836 -7.605 -33.104 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.696 -7.155 -33.827 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.370 -9.388 -33.906 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.627 -8.532 -31.003 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.552 -10.792 -32.274 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.551 -9.937 -29.369 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.648 -11.065 -30.000 1.00 0.00 H new ATOM 897 N TYR A 53 0.855 -7.216 -36.645 1.00 0.00 N ATOM 898 CA TYR A 53 1.723 -6.395 -37.481 1.00 0.00 C ATOM 899 C TYR A 53 1.895 -5.002 -36.885 1.00 0.00 C ATOM 900 O TYR A 53 0.928 -4.254 -36.734 1.00 0.00 O ATOM 901 CB TYR A 53 1.151 -6.289 -38.896 1.00 0.00 C ATOM 902 CG TYR A 53 2.200 -6.372 -39.981 1.00 0.00 C ATOM 903 CD1 TYR A 53 3.469 -5.841 -39.790 1.00 0.00 C ATOM 904 CD2 TYR A 53 1.923 -6.983 -41.198 1.00 0.00 C ATOM 905 CE1 TYR A 53 4.431 -5.913 -40.779 1.00 0.00 C ATOM 906 CE2 TYR A 53 2.879 -7.062 -42.192 1.00 0.00 C ATOM 907 CZ TYR A 53 4.131 -6.525 -41.978 1.00 0.00 C ATOM 908 OH TYR A 53 5.087 -6.601 -42.965 1.00 0.00 O ATOM 0 H TYR A 53 -0.132 -7.184 -36.902 1.00 0.00 H new ATOM 0 HA TYR A 53 2.701 -6.874 -37.526 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.423 -7.086 -39.045 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.615 -5.345 -38.992 1.00 0.00 H new ATOM 0 HD1 TYR A 53 3.708 -5.363 -38.851 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.943 -7.403 -41.370 1.00 0.00 H new ATOM 0 HE1 TYR A 53 5.412 -5.493 -40.614 1.00 0.00 H new ATOM 0 HE2 TYR A 53 2.647 -7.542 -43.131 1.00 0.00 H new ATOM 0 HH TYR A 53 5.499 -5.721 -43.089 1.00 0.00 H new ATOM 918 N VAL A 54 3.134 -4.659 -36.547 1.00 0.00 N ATOM 919 CA VAL A 54 3.435 -3.355 -35.968 1.00 0.00 C ATOM 920 C VAL A 54 3.783 -2.340 -37.052 1.00 0.00 C ATOM 921 O VAL A 54 4.446 -2.670 -38.036 1.00 0.00 O ATOM 922 CB VAL A 54 4.602 -3.441 -34.967 1.00 0.00 C ATOM 923 CG1 VAL A 54 4.184 -4.211 -33.724 1.00 0.00 C ATOM 924 CG2 VAL A 54 5.817 -4.085 -35.619 1.00 0.00 C ATOM 0 H VAL A 54 3.945 -5.266 -36.664 1.00 0.00 H new ATOM 0 HA VAL A 54 2.538 -3.028 -35.442 1.00 0.00 H new ATOM 0 HB VAL A 54 4.873 -2.430 -34.665 1.00 0.00 H new ATOM 0 HG11 VAL A 54 5.022 -4.261 -33.028 1.00 0.00 H new ATOM 0 HG12 VAL A 54 3.346 -3.704 -33.246 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.885 -5.221 -34.005 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.632 -4.138 -34.897 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.561 -5.091 -35.951 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.129 -3.488 -36.476 1.00 0.00 H new ATOM 934 N HIS A 55 3.333 -1.104 -36.864 1.00 0.00 N ATOM 935 CA HIS A 55 3.597 -0.039 -37.825 1.00 0.00 C ATOM 936 C HIS A 55 4.447 1.061 -37.197 1.00 0.00 C ATOM 937 O HIS A 55 4.295 1.379 -36.017 1.00 0.00 O ATOM 938 CB HIS A 55 2.284 0.547 -38.343 1.00 0.00 C ATOM 939 CG HIS A 55 2.380 1.096 -39.733 1.00 0.00 C ATOM 940 ND1 HIS A 55 3.071 0.465 -40.745 1.00 0.00 N ATOM 941 CD2 HIS A 55 1.865 2.224 -40.277 1.00 0.00 C ATOM 942 CE1 HIS A 55 2.979 1.181 -41.852 1.00 0.00 C ATOM 943 NE2 HIS A 55 2.252 2.254 -41.594 1.00 0.00 N ATOM 0 H HIS A 55 2.784 -0.815 -36.055 1.00 0.00 H new ATOM 0 HA HIS A 55 4.149 -0.467 -38.662 1.00 0.00 H new ATOM 0 HB2 HIS A 55 1.516 -0.226 -38.319 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.959 1.340 -37.670 1.00 0.00 H new ATOM 0 HD1 HIS A 55 3.575 -0.417 -40.654 1.00 0.00 H new ATOM 0 HD2 HIS A 55 1.262 2.963 -39.769 1.00 0.00 H new ATOM 0 HE1 HIS A 55 3.422 0.932 -42.805 1.00 0.00 H new ATOM 951 N TYR A 56 5.341 1.638 -37.992 1.00 0.00 N ATOM 952 CA TYR A 56 6.217 2.700 -37.513 1.00 0.00 C ATOM 953 C TYR A 56 5.695 4.070 -37.935 1.00 0.00 C ATOM 954 O TYR A 56 4.724 4.172 -38.685 1.00 0.00 O ATOM 955 CB TYR A 56 7.637 2.498 -38.044 1.00 0.00 C ATOM 956 CG TYR A 56 7.714 2.419 -39.552 1.00 0.00 C ATOM 957 CD1 TYR A 56 7.893 3.564 -40.319 1.00 0.00 C ATOM 958 CD2 TYR A 56 7.606 1.200 -40.210 1.00 0.00 C ATOM 959 CE1 TYR A 56 7.962 3.497 -41.697 1.00 0.00 C ATOM 960 CE2 TYR A 56 7.676 1.123 -41.588 1.00 0.00 C ATOM 961 CZ TYR A 56 7.854 2.274 -42.327 1.00 0.00 C ATOM 962 OH TYR A 56 7.923 2.203 -43.699 1.00 0.00 O ATOM 0 H TYR A 56 5.478 1.388 -38.971 1.00 0.00 H new ATOM 0 HA TYR A 56 6.234 2.657 -36.424 1.00 0.00 H new ATOM 0 HB2 TYR A 56 8.265 3.319 -37.699 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.048 1.582 -37.619 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.980 4.523 -39.829 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.465 0.297 -39.635 1.00 0.00 H new ATOM 0 HE1 TYR A 56 8.100 4.397 -42.278 1.00 0.00 H new ATOM 0 HE2 TYR A 56 7.592 0.167 -42.083 1.00 0.00 H new ATOM 0 HH TYR A 56 7.831 1.270 -43.983 1.00 0.00 H new ATOM 972 N VAL A 57 6.346 5.121 -37.448 1.00 0.00 N ATOM 973 CA VAL A 57 5.950 6.485 -37.776 1.00 0.00 C ATOM 974 C VAL A 57 7.169 7.377 -37.984 1.00 0.00 C ATOM 975 O VAL A 57 7.085 8.598 -37.866 1.00 0.00 O ATOM 976 CB VAL A 57 5.066 7.093 -36.671 1.00 0.00 C ATOM 977 CG1 VAL A 57 3.671 6.488 -36.710 1.00 0.00 C ATOM 978 CG2 VAL A 57 5.706 6.892 -35.306 1.00 0.00 C ATOM 0 H VAL A 57 7.150 5.054 -36.825 1.00 0.00 H new ATOM 0 HA VAL A 57 5.378 6.434 -38.703 1.00 0.00 H new ATOM 0 HB VAL A 57 4.976 8.164 -36.850 1.00 0.00 H new ATOM 0 HG11 VAL A 57 3.061 6.930 -35.922 1.00 0.00 H new ATOM 0 HG12 VAL A 57 3.214 6.689 -37.679 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.737 5.411 -36.557 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.068 7.328 -34.537 1.00 0.00 H new ATOM 0 HG22 VAL A 57 5.828 5.826 -35.115 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.681 7.378 -35.286 1.00 0.00 H new ATOM 988 N ASN A 58 8.303 6.756 -38.296 1.00 0.00 N ATOM 989 CA ASN A 58 9.541 7.494 -38.521 1.00 0.00 C ATOM 990 C ASN A 58 10.358 6.856 -39.641 1.00 0.00 C ATOM 991 O ASN A 58 9.875 5.973 -40.350 1.00 0.00 O ATOM 992 CB ASN A 58 10.369 7.545 -37.236 1.00 0.00 C ATOM 993 CG ASN A 58 9.547 7.973 -36.035 1.00 0.00 C ATOM 994 OD1 ASN A 58 9.118 7.142 -35.235 1.00 0.00 O ATOM 995 ND2 ASN A 58 9.324 9.275 -35.905 1.00 0.00 N ATOM 0 H ASN A 58 8.390 5.745 -38.399 1.00 0.00 H new ATOM 0 HA ASN A 58 9.281 8.510 -38.818 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.801 6.562 -37.046 1.00 0.00 H new ATOM 0 HB3 ASN A 58 11.200 8.238 -37.370 1.00 0.00 H new ATOM 0 HD21 ASN A 58 8.777 9.623 -35.117 1.00 0.00 H new ATOM 0 HD22 ASN A 58 9.699 9.928 -36.593 1.00 0.00 H new ATOM 1002 N TYR A 59 11.597 7.310 -39.793 1.00 0.00 N ATOM 1003 CA TYR A 59 12.481 6.786 -40.828 1.00 0.00 C ATOM 1004 C TYR A 59 12.952 5.378 -40.479 1.00 0.00 C ATOM 1005 O TYR A 59 13.993 5.198 -39.849 1.00 0.00 O ATOM 1006 CB TYR A 59 13.687 7.708 -41.013 1.00 0.00 C ATOM 1007 CG TYR A 59 14.510 7.390 -42.240 1.00 0.00 C ATOM 1008 CD1 TYR A 59 13.906 7.212 -43.479 1.00 0.00 C ATOM 1009 CD2 TYR A 59 15.892 7.268 -42.162 1.00 0.00 C ATOM 1010 CE1 TYR A 59 14.655 6.920 -44.603 1.00 0.00 C ATOM 1011 CE2 TYR A 59 16.648 6.978 -43.281 1.00 0.00 C ATOM 1012 CZ TYR A 59 16.025 6.804 -44.499 1.00 0.00 C ATOM 1013 OH TYR A 59 16.774 6.515 -45.616 1.00 0.00 O ATOM 0 H TYR A 59 12.012 8.039 -39.213 1.00 0.00 H new ATOM 0 HA TYR A 59 11.920 6.741 -41.761 1.00 0.00 H new ATOM 0 HB2 TYR A 59 13.339 8.739 -41.077 1.00 0.00 H new ATOM 0 HB3 TYR A 59 14.324 7.640 -40.131 1.00 0.00 H new ATOM 0 HD1 TYR A 59 12.833 7.303 -43.565 1.00 0.00 H new ATOM 0 HD2 TYR A 59 16.384 7.402 -41.210 1.00 0.00 H new ATOM 0 HE1 TYR A 59 14.170 6.783 -45.558 1.00 0.00 H new ATOM 0 HE2 TYR A 59 17.721 6.888 -43.203 1.00 0.00 H new ATOM 0 HH TYR A 59 17.722 6.469 -45.371 1.00 0.00 H new ATOM 1023 N ASN A 60 12.176 4.382 -40.895 1.00 0.00 N ATOM 1024 CA ASN A 60 12.513 2.988 -40.628 1.00 0.00 C ATOM 1025 C ASN A 60 11.468 2.051 -41.226 1.00 0.00 C ATOM 1026 O ASN A 60 10.313 2.039 -40.799 1.00 0.00 O ATOM 1027 CB ASN A 60 12.627 2.749 -39.121 1.00 0.00 C ATOM 1028 CG ASN A 60 11.621 3.563 -38.329 1.00 0.00 C ATOM 1029 OD1 ASN A 60 10.496 3.786 -38.777 1.00 0.00 O ATOM 1030 ND2 ASN A 60 12.024 4.011 -37.146 1.00 0.00 N ATOM 0 H ASN A 60 11.310 4.514 -41.418 1.00 0.00 H new ATOM 0 HA ASN A 60 13.474 2.776 -41.096 1.00 0.00 H new ATOM 0 HB2 ASN A 60 12.479 1.690 -38.912 1.00 0.00 H new ATOM 0 HB3 ASN A 60 13.635 3.001 -38.791 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.392 4.565 -36.568 1.00 0.00 H new ATOM 0 HD22 ASN A 60 12.966 3.801 -36.815 1.00 0.00 H new ATOM 1037 N LYS A 61 11.880 1.267 -42.216 1.00 0.00 N ATOM 1038 CA LYS A 61 10.982 0.325 -42.872 1.00 0.00 C ATOM 1039 C LYS A 61 11.095 -1.061 -42.246 1.00 0.00 C ATOM 1040 O LYS A 61 10.143 -1.841 -42.265 1.00 0.00 O ATOM 1041 CB LYS A 61 11.294 0.248 -44.368 1.00 0.00 C ATOM 1042 CG LYS A 61 12.710 -0.209 -44.671 1.00 0.00 C ATOM 1043 CD LYS A 61 12.977 -0.243 -46.167 1.00 0.00 C ATOM 1044 CE LYS A 61 14.183 -1.109 -46.498 1.00 0.00 C ATOM 1045 NZ LYS A 61 14.164 -1.569 -47.914 1.00 0.00 N ATOM 0 H LYS A 61 12.832 1.266 -42.582 1.00 0.00 H new ATOM 0 HA LYS A 61 9.961 0.682 -42.738 1.00 0.00 H new ATOM 0 HB2 LYS A 61 10.591 -0.437 -44.842 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.134 1.229 -44.815 1.00 0.00 H new ATOM 0 HG2 LYS A 61 13.421 0.462 -44.189 1.00 0.00 H new ATOM 0 HG3 LYS A 61 12.871 -1.201 -44.249 1.00 0.00 H new ATOM 0 HD2 LYS A 61 12.099 -0.627 -46.686 1.00 0.00 H new ATOM 0 HD3 LYS A 61 13.145 0.771 -46.531 1.00 0.00 H new ATOM 0 HE2 LYS A 61 15.097 -0.545 -46.312 1.00 0.00 H new ATOM 0 HE3 LYS A 61 14.202 -1.974 -45.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 15.002 -2.156 -48.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 13.304 -2.129 -48.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 14.172 -0.744 -48.547 1.00 0.00 H new ATOM 1059 N ARG A 62 12.265 -1.361 -41.692 1.00 0.00 N ATOM 1060 CA ARG A 62 12.502 -2.653 -41.060 1.00 0.00 C ATOM 1061 C ARG A 62 11.674 -2.796 -39.786 1.00 0.00 C ATOM 1062 O ARG A 62 11.372 -3.908 -39.350 1.00 0.00 O ATOM 1063 CB ARG A 62 13.988 -2.822 -40.737 1.00 0.00 C ATOM 1064 CG ARG A 62 14.551 -1.713 -39.863 1.00 0.00 C ATOM 1065 CD ARG A 62 15.407 -0.749 -40.668 1.00 0.00 C ATOM 1066 NE ARG A 62 16.788 -1.210 -40.786 1.00 0.00 N ATOM 1067 CZ ARG A 62 17.768 -0.472 -41.296 1.00 0.00 C ATOM 1068 NH1 ARG A 62 17.520 0.756 -41.731 1.00 0.00 N ATOM 1069 NH2 ARG A 62 18.999 -0.961 -41.369 1.00 0.00 N ATOM 0 H ARG A 62 13.064 -0.727 -41.668 1.00 0.00 H new ATOM 0 HA ARG A 62 12.198 -3.432 -41.759 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.136 -3.779 -40.236 1.00 0.00 H new ATOM 0 HB3 ARG A 62 14.552 -2.860 -41.669 1.00 0.00 H new ATOM 0 HG2 ARG A 62 13.732 -1.168 -39.392 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.147 -2.148 -39.061 1.00 0.00 H new ATOM 0 HD2 ARG A 62 14.979 -0.629 -41.663 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.392 0.232 -40.193 1.00 0.00 H new ATOM 0 HE ARG A 62 17.012 -2.150 -40.459 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.575 1.136 -41.674 1.00 0.00 H new ATOM 0 HH12 ARG A 62 18.274 1.321 -42.122 1.00 0.00 H new ATOM 0 HH21 ARG A 62 19.194 -1.904 -41.033 1.00 0.00 H new ATOM 0 HH22 ARG A 62 19.751 -0.394 -41.761 1.00 0.00 H new ATOM 1083 N LEU A 63 11.311 -1.664 -39.193 1.00 0.00 N ATOM 1084 CA LEU A 63 10.518 -1.662 -37.969 1.00 0.00 C ATOM 1085 C LEU A 63 9.170 -2.340 -38.191 1.00 0.00 C ATOM 1086 O LEU A 63 8.704 -3.108 -37.350 1.00 0.00 O ATOM 1087 CB LEU A 63 10.305 -0.229 -37.478 1.00 0.00 C ATOM 1088 CG LEU A 63 10.157 -0.052 -35.966 1.00 0.00 C ATOM 1089 CD1 LEU A 63 8.947 -0.818 -35.455 1.00 0.00 C ATOM 1090 CD2 LEU A 63 11.420 -0.507 -35.250 1.00 0.00 C ATOM 0 H LEU A 63 11.553 -0.736 -39.540 1.00 0.00 H new ATOM 0 HA LEU A 63 11.065 -2.222 -37.211 1.00 0.00 H new ATOM 0 HB2 LEU A 63 11.146 0.378 -37.814 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.412 0.170 -37.959 1.00 0.00 H new ATOM 0 HG LEU A 63 10.006 1.007 -35.756 1.00 0.00 H new ATOM 0 HD11 LEU A 63 8.858 -0.680 -34.377 1.00 0.00 H new ATOM 0 HD12 LEU A 63 8.047 -0.445 -35.944 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.068 -1.878 -35.677 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.297 -0.374 -34.175 1.00 0.00 H new ATOM 0 HD22 LEU A 63 11.602 -1.560 -35.467 1.00 0.00 H new ATOM 0 HD23 LEU A 63 12.267 0.086 -35.594 1.00 0.00 H new ATOM 1102 N ASP A 64 8.550 -2.053 -39.331 1.00 0.00 N ATOM 1103 CA ASP A 64 7.257 -2.638 -39.666 1.00 0.00 C ATOM 1104 C ASP A 64 7.386 -4.139 -39.905 1.00 0.00 C ATOM 1105 O ASP A 64 7.639 -4.579 -41.026 1.00 0.00 O ATOM 1106 CB ASP A 64 6.673 -1.960 -40.906 1.00 0.00 C ATOM 1107 CG ASP A 64 5.561 -2.772 -41.540 1.00 0.00 C ATOM 1108 OD1 ASP A 64 4.430 -2.746 -41.009 1.00 0.00 O ATOM 1109 OD2 ASP A 64 5.820 -3.432 -42.568 1.00 0.00 O ATOM 0 H ASP A 64 8.922 -1.419 -40.038 1.00 0.00 H new ATOM 0 HA ASP A 64 6.584 -2.479 -38.823 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.290 -0.977 -40.633 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.466 -1.802 -41.637 1.00 0.00 H new ATOM 1114 N GLU A 65 7.211 -4.920 -38.843 1.00 0.00 N ATOM 1115 CA GLU A 65 7.309 -6.371 -38.938 1.00 0.00 C ATOM 1116 C GLU A 65 6.238 -7.046 -38.086 1.00 0.00 C ATOM 1117 O GLU A 65 5.355 -6.384 -37.542 1.00 0.00 O ATOM 1118 CB GLU A 65 8.698 -6.840 -38.497 1.00 0.00 C ATOM 1119 CG GLU A 65 8.963 -6.647 -37.014 1.00 0.00 C ATOM 1120 CD GLU A 65 10.399 -6.950 -36.634 1.00 0.00 C ATOM 1121 OE1 GLU A 65 11.089 -7.632 -37.421 1.00 0.00 O ATOM 1122 OE2 GLU A 65 10.833 -6.507 -35.550 1.00 0.00 O ATOM 0 H GLU A 65 7.001 -4.572 -37.908 1.00 0.00 H new ATOM 0 HA GLU A 65 7.151 -6.653 -39.979 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.811 -7.896 -38.743 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.453 -6.298 -39.066 1.00 0.00 H new ATOM 0 HG2 GLU A 65 8.727 -5.619 -36.737 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.296 -7.292 -36.442 1.00 0.00 H new ATOM 1129 N TRP A 66 6.324 -8.367 -37.976 1.00 0.00 N ATOM 1130 CA TRP A 66 5.362 -9.132 -37.191 1.00 0.00 C ATOM 1131 C TRP A 66 5.920 -9.452 -35.808 1.00 0.00 C ATOM 1132 O TRP A 66 7.099 -9.779 -35.665 1.00 0.00 O ATOM 1133 CB TRP A 66 4.994 -10.427 -37.918 1.00 0.00 C ATOM 1134 CG TRP A 66 4.433 -10.199 -39.289 1.00 0.00 C ATOM 1135 CD1 TRP A 66 5.114 -9.767 -40.391 1.00 0.00 C ATOM 1136 CD2 TRP A 66 3.076 -10.389 -39.702 1.00 0.00 C ATOM 1137 NE1 TRP A 66 4.261 -9.677 -41.465 1.00 0.00 N ATOM 1138 CE2 TRP A 66 3.005 -10.054 -41.068 1.00 0.00 C ATOM 1139 CE3 TRP A 66 1.914 -10.812 -39.051 1.00 0.00 C ATOM 1140 CZ2 TRP A 66 1.818 -10.129 -41.792 1.00 0.00 C ATOM 1141 CZ3 TRP A 66 0.736 -10.885 -39.771 1.00 0.00 C ATOM 1142 CH2 TRP A 66 0.696 -10.546 -41.130 1.00 0.00 C ATOM 0 H TRP A 66 7.049 -8.930 -38.420 1.00 0.00 H new ATOM 0 HA TRP A 66 4.465 -8.525 -37.069 1.00 0.00 H new ATOM 0 HB2 TRP A 66 5.881 -11.056 -37.996 1.00 0.00 H new ATOM 0 HB3 TRP A 66 4.265 -10.976 -37.322 1.00 0.00 H new ATOM 0 HD1 TRP A 66 6.168 -9.531 -40.415 1.00 0.00 H new ATOM 0 HE1 TRP A 66 4.521 -9.378 -42.405 1.00 0.00 H new ATOM 0 HE3 TRP A 66 1.936 -11.077 -38.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 1.784 -9.867 -42.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -0.169 -11.209 -39.278 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -0.239 -10.615 -41.665 1.00 0.00 H new ATOM 1153 N ILE A 67 5.067 -9.357 -34.794 1.00 0.00 N ATOM 1154 CA ILE A 67 5.476 -9.638 -33.423 1.00 0.00 C ATOM 1155 C ILE A 67 4.307 -10.162 -32.597 1.00 0.00 C ATOM 1156 O ILE A 67 3.146 -10.026 -32.987 1.00 0.00 O ATOM 1157 CB ILE A 67 6.052 -8.384 -32.739 1.00 0.00 C ATOM 1158 CG1 ILE A 67 5.010 -7.263 -32.721 1.00 0.00 C ATOM 1159 CG2 ILE A 67 7.317 -7.927 -33.449 1.00 0.00 C ATOM 1160 CD1 ILE A 67 5.027 -6.444 -31.449 1.00 0.00 C ATOM 0 H ILE A 67 4.088 -9.088 -34.896 1.00 0.00 H new ATOM 0 HA ILE A 67 6.252 -10.402 -33.476 1.00 0.00 H new ATOM 0 HB ILE A 67 6.307 -8.634 -31.709 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.183 -6.603 -33.571 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.019 -7.697 -32.851 1.00 0.00 H new ATOM 0 HG21 ILE A 67 7.712 -7.040 -32.954 1.00 0.00 H new ATOM 0 HG22 ILE A 67 8.061 -8.723 -33.415 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.086 -7.690 -34.488 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.263 -5.668 -31.505 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.824 -7.092 -30.596 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.006 -5.981 -31.327 1.00 0.00 H new ATOM 1172 N THR A 68 4.619 -10.762 -31.453 1.00 0.00 N ATOM 1173 CA THR A 68 3.595 -11.307 -30.571 1.00 0.00 C ATOM 1174 C THR A 68 3.425 -10.443 -29.326 1.00 0.00 C ATOM 1175 O THR A 68 4.049 -9.389 -29.199 1.00 0.00 O ATOM 1176 CB THR A 68 3.932 -12.747 -30.140 1.00 0.00 C ATOM 1177 OG1 THR A 68 5.133 -12.757 -29.361 1.00 0.00 O ATOM 1178 CG2 THR A 68 4.101 -13.648 -31.354 1.00 0.00 C ATOM 0 H THR A 68 5.574 -10.883 -31.115 1.00 0.00 H new ATOM 0 HA THR A 68 2.663 -11.314 -31.136 1.00 0.00 H new ATOM 0 HB THR A 68 3.106 -13.126 -29.538 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.019 -13.354 -28.592 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.339 -14.660 -31.026 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.175 -13.661 -31.929 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.911 -13.270 -31.978 1.00 0.00 H new ATOM 1186 N THR A 69 2.578 -10.897 -28.407 1.00 0.00 N ATOM 1187 CA THR A 69 2.326 -10.165 -27.172 1.00 0.00 C ATOM 1188 C THR A 69 3.576 -10.109 -26.302 1.00 0.00 C ATOM 1189 O THR A 69 3.652 -9.323 -25.357 1.00 0.00 O ATOM 1190 CB THR A 69 1.180 -10.804 -26.365 1.00 0.00 C ATOM 1191 OG1 THR A 69 0.938 -10.045 -25.175 1.00 0.00 O ATOM 1192 CG2 THR A 69 1.514 -12.242 -25.997 1.00 0.00 C ATOM 0 H THR A 69 2.055 -11.768 -28.495 1.00 0.00 H new ATOM 0 HA THR A 69 2.039 -9.153 -27.457 1.00 0.00 H new ATOM 0 HB THR A 69 0.283 -10.804 -26.985 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.411 -9.189 -25.231 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.690 -12.673 -25.428 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.670 -12.823 -26.906 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.422 -12.262 -25.394 1.00 0.00 H new ATOM 1200 N ASP A 70 4.555 -10.947 -26.626 1.00 0.00 N ATOM 1201 CA ASP A 70 5.804 -10.991 -25.874 1.00 0.00 C ATOM 1202 C ASP A 70 6.411 -9.597 -25.746 1.00 0.00 C ATOM 1203 O ASP A 70 7.099 -9.297 -24.770 1.00 0.00 O ATOM 1204 CB ASP A 70 6.799 -11.934 -26.552 1.00 0.00 C ATOM 1205 CG ASP A 70 6.621 -13.375 -26.116 1.00 0.00 C ATOM 1206 OD1 ASP A 70 7.072 -13.718 -25.003 1.00 0.00 O ATOM 1207 OD2 ASP A 70 6.030 -14.160 -26.887 1.00 0.00 O ATOM 0 H ASP A 70 4.508 -11.605 -27.404 1.00 0.00 H new ATOM 0 HA ASP A 70 5.584 -11.365 -24.874 1.00 0.00 H new ATOM 0 HB2 ASP A 70 6.679 -11.867 -27.633 1.00 0.00 H new ATOM 0 HB3 ASP A 70 7.815 -11.611 -26.323 1.00 0.00 H new ATOM 1212 N ARG A 71 6.151 -8.751 -26.737 1.00 0.00 N ATOM 1213 CA ARG A 71 6.674 -7.390 -26.736 1.00 0.00 C ATOM 1214 C ARG A 71 5.574 -6.386 -26.404 1.00 0.00 C ATOM 1215 O ARG A 71 5.844 -5.305 -25.879 1.00 0.00 O ATOM 1216 CB ARG A 71 7.290 -7.057 -28.096 1.00 0.00 C ATOM 1217 CG ARG A 71 8.467 -7.946 -28.465 1.00 0.00 C ATOM 1218 CD ARG A 71 8.786 -7.859 -29.949 1.00 0.00 C ATOM 1219 NE ARG A 71 8.996 -6.481 -30.384 1.00 0.00 N ATOM 1220 CZ ARG A 71 9.660 -6.151 -31.487 1.00 0.00 C ATOM 1221 NH1 ARG A 71 10.174 -7.096 -32.262 1.00 0.00 N ATOM 1222 NH2 ARG A 71 9.810 -4.874 -31.816 1.00 0.00 N ATOM 0 H ARG A 71 5.582 -8.984 -27.551 1.00 0.00 H new ATOM 0 HA ARG A 71 7.446 -7.324 -25.969 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.523 -7.147 -28.865 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.618 -6.017 -28.092 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.342 -7.652 -27.886 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.241 -8.979 -28.200 1.00 0.00 H new ATOM 0 HD2 ARG A 71 9.679 -8.447 -30.163 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.970 -8.299 -30.522 1.00 0.00 H new ATOM 0 HE ARG A 71 8.612 -5.730 -29.810 1.00 0.00 H new ATOM 0 HH11 ARG A 71 10.060 -8.078 -32.012 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.683 -6.841 -33.108 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.415 -4.145 -31.222 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.320 -4.622 -32.663 1.00 0.00 H new ATOM 1236 N ILE A 72 4.334 -6.750 -26.715 1.00 0.00 N ATOM 1237 CA ILE A 72 3.194 -5.881 -26.449 1.00 0.00 C ATOM 1238 C ILE A 72 2.469 -6.300 -25.175 1.00 0.00 C ATOM 1239 O ILE A 72 1.929 -7.402 -25.090 1.00 0.00 O ATOM 1240 CB ILE A 72 2.195 -5.889 -27.621 1.00 0.00 C ATOM 1241 CG1 ILE A 72 2.885 -5.437 -28.910 1.00 0.00 C ATOM 1242 CG2 ILE A 72 1.005 -4.994 -27.309 1.00 0.00 C ATOM 1243 CD1 ILE A 72 2.151 -5.853 -30.166 1.00 0.00 C ATOM 0 H ILE A 72 4.093 -7.640 -27.151 1.00 0.00 H new ATOM 0 HA ILE A 72 3.588 -4.872 -26.325 1.00 0.00 H new ATOM 0 HB ILE A 72 1.832 -6.907 -27.763 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.983 -4.351 -28.899 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.894 -5.848 -28.936 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.308 -5.010 -28.147 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.503 -5.356 -26.412 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.351 -3.973 -27.144 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.697 -5.499 -31.041 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.076 -6.940 -30.200 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.151 -5.420 -30.163 1.00 0.00 H new ATOM 1255 N ASN A 73 2.459 -5.411 -24.187 1.00 0.00 N ATOM 1256 CA ASN A 73 1.798 -5.688 -22.917 1.00 0.00 C ATOM 1257 C ASN A 73 0.568 -4.803 -22.739 1.00 0.00 C ATOM 1258 O ASN A 73 0.598 -3.611 -23.048 1.00 0.00 O ATOM 1259 CB ASN A 73 2.770 -5.470 -21.755 1.00 0.00 C ATOM 1260 CG ASN A 73 2.195 -5.925 -20.427 1.00 0.00 C ATOM 1261 OD1 ASN A 73 2.131 -7.122 -20.143 1.00 0.00 O ATOM 1262 ND2 ASN A 73 1.772 -4.970 -19.607 1.00 0.00 N ATOM 0 H ASN A 73 2.901 -4.493 -24.241 1.00 0.00 H new ATOM 0 HA ASN A 73 1.476 -6.729 -22.923 1.00 0.00 H new ATOM 0 HB2 ASN A 73 3.695 -6.012 -21.952 1.00 0.00 H new ATOM 0 HB3 ASN A 73 3.027 -4.413 -21.693 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.375 -5.215 -18.700 1.00 0.00 H new ATOM 0 HD22 ASN A 73 1.845 -3.991 -19.884 1.00 0.00 H new ATOM 1269 N LEU A 74 -0.511 -5.394 -22.239 1.00 0.00 N ATOM 1270 CA LEU A 74 -1.753 -4.660 -22.018 1.00 0.00 C ATOM 1271 C LEU A 74 -1.499 -3.392 -21.209 1.00 0.00 C ATOM 1272 O LEU A 74 -0.417 -3.205 -20.652 1.00 0.00 O ATOM 1273 CB LEU A 74 -2.770 -5.545 -21.296 1.00 0.00 C ATOM 1274 CG LEU A 74 -3.626 -6.447 -22.186 1.00 0.00 C ATOM 1275 CD1 LEU A 74 -4.602 -5.617 -23.006 1.00 0.00 C ATOM 1276 CD2 LEU A 74 -2.744 -7.290 -23.096 1.00 0.00 C ATOM 0 H LEU A 74 -0.552 -6.379 -21.979 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.155 -4.374 -22.990 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.234 -6.173 -20.584 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.434 -4.903 -20.718 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.200 -7.118 -21.546 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.203 -6.276 -23.633 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.256 -5.058 -22.337 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.048 -4.922 -23.637 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.370 -7.926 -23.722 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.144 -6.636 -23.728 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.086 -7.913 -22.490 1.00 0.00 H new ATOM 1288 N ASP A 75 -2.504 -2.525 -21.147 1.00 0.00 N ATOM 1289 CA ASP A 75 -2.391 -1.277 -20.402 1.00 0.00 C ATOM 1290 C ASP A 75 -3.341 -1.268 -19.208 1.00 0.00 C ATOM 1291 O ASP A 75 -3.041 -0.685 -18.166 1.00 0.00 O ATOM 1292 CB ASP A 75 -2.688 -0.086 -21.315 1.00 0.00 C ATOM 1293 CG ASP A 75 -2.620 1.238 -20.579 1.00 0.00 C ATOM 1294 OD1 ASP A 75 -1.496 1.716 -20.322 1.00 0.00 O ATOM 1295 OD2 ASP A 75 -3.691 1.796 -20.260 1.00 0.00 O ATOM 0 H ASP A 75 -3.405 -2.664 -21.604 1.00 0.00 H new ATOM 0 HA ASP A 75 -1.370 -1.195 -20.030 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -1.975 -0.077 -22.140 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -3.679 -0.205 -21.752 1.00 0.00 H new ATOM 1300 N LYS A 76 -4.489 -1.918 -19.368 1.00 0.00 N ATOM 1301 CA LYS A 76 -5.484 -1.986 -18.304 1.00 0.00 C ATOM 1302 C LYS A 76 -4.856 -2.476 -17.003 1.00 0.00 C ATOM 1303 O LYS A 76 -3.805 -3.115 -17.013 1.00 0.00 O ATOM 1304 CB LYS A 76 -6.631 -2.914 -18.710 1.00 0.00 C ATOM 1305 CG LYS A 76 -7.551 -2.320 -19.763 1.00 0.00 C ATOM 1306 CD LYS A 76 -8.516 -1.314 -19.157 1.00 0.00 C ATOM 1307 CE LYS A 76 -9.549 -0.852 -20.173 1.00 0.00 C ATOM 1308 NZ LYS A 76 -10.743 -0.252 -19.516 1.00 0.00 N ATOM 0 H LYS A 76 -4.753 -2.405 -20.224 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.876 -0.982 -18.142 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.215 -3.848 -19.088 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.217 -3.161 -17.825 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.955 -1.834 -20.536 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.113 -3.118 -20.248 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.021 -1.762 -18.301 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -7.960 -0.454 -18.785 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.097 -0.121 -20.843 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.859 -1.698 -20.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.424 0.050 -20.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.189 -0.958 -18.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.451 0.571 -18.951 1.00 0.00 H new ATOM 1322 N GLU A 77 -5.509 -2.172 -15.885 1.00 0.00 N ATOM 1323 CA GLU A 77 -5.013 -2.582 -14.576 1.00 0.00 C ATOM 1324 C GLU A 77 -6.129 -3.207 -13.744 1.00 0.00 C ATOM 1325 O GLU A 77 -7.310 -2.935 -13.963 1.00 0.00 O ATOM 1326 CB GLU A 77 -4.417 -1.384 -13.834 1.00 0.00 C ATOM 1327 CG GLU A 77 -5.462 -0.448 -13.251 1.00 0.00 C ATOM 1328 CD GLU A 77 -4.980 0.988 -13.173 1.00 0.00 C ATOM 1329 OE1 GLU A 77 -3.888 1.217 -12.611 1.00 0.00 O ATOM 1330 OE2 GLU A 77 -5.694 1.882 -13.673 1.00 0.00 O ATOM 0 H GLU A 77 -6.381 -1.644 -15.860 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.234 -3.329 -14.728 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.777 -1.747 -13.030 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.781 -0.823 -14.519 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.364 -0.492 -13.861 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.735 -0.791 -12.253 1.00 0.00 H new ATOM 1337 N VAL A 78 -5.746 -4.046 -12.787 1.00 0.00 N ATOM 1338 CA VAL A 78 -6.713 -4.710 -11.920 1.00 0.00 C ATOM 1339 C VAL A 78 -6.124 -4.972 -10.539 1.00 0.00 C ATOM 1340 O VAL A 78 -4.909 -4.905 -10.347 1.00 0.00 O ATOM 1341 CB VAL A 78 -7.186 -6.045 -12.526 1.00 0.00 C ATOM 1342 CG1 VAL A 78 -7.782 -5.823 -13.908 1.00 0.00 C ATOM 1343 CG2 VAL A 78 -6.036 -7.039 -12.586 1.00 0.00 C ATOM 0 H VAL A 78 -4.773 -4.282 -12.592 1.00 0.00 H new ATOM 0 HA VAL A 78 -7.567 -4.039 -11.826 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.963 -6.461 -11.884 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -8.110 -6.777 -14.320 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -8.634 -5.148 -13.833 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -7.029 -5.385 -14.563 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.388 -7.977 -13.017 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.236 -6.633 -13.205 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.659 -7.221 -11.579 1.00 0.00 H new ATOM 1353 N LEU A 79 -6.992 -5.270 -9.579 1.00 0.00 N ATOM 1354 CA LEU A 79 -6.558 -5.543 -8.213 1.00 0.00 C ATOM 1355 C LEU A 79 -6.858 -6.987 -7.825 1.00 0.00 C ATOM 1356 O LEU A 79 -7.930 -7.290 -7.302 1.00 0.00 O ATOM 1357 CB LEU A 79 -7.247 -4.587 -7.237 1.00 0.00 C ATOM 1358 CG LEU A 79 -6.701 -3.159 -7.199 1.00 0.00 C ATOM 1359 CD1 LEU A 79 -7.492 -2.312 -6.214 1.00 0.00 C ATOM 1360 CD2 LEU A 79 -5.223 -3.162 -6.835 1.00 0.00 C ATOM 0 H LEU A 79 -8.000 -5.329 -9.721 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.480 -5.389 -8.163 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -8.306 -4.543 -7.489 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -7.175 -5.009 -6.235 1.00 0.00 H new ATOM 0 HG LEU A 79 -6.809 -2.723 -8.192 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.090 -1.299 -6.200 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.538 -2.283 -6.518 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.416 -2.746 -5.217 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.852 -2.137 -6.813 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.091 -3.617 -5.853 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.667 -3.734 -7.578 1.00 0.00 H new ATOM 1372 N TYR A 80 -5.903 -7.874 -8.082 1.00 0.00 N ATOM 1373 CA TYR A 80 -6.064 -9.287 -7.760 1.00 0.00 C ATOM 1374 C TYR A 80 -5.038 -9.730 -6.722 1.00 0.00 C ATOM 1375 O TYR A 80 -3.966 -10.239 -7.049 1.00 0.00 O ATOM 1376 CB TYR A 80 -5.929 -10.138 -9.023 1.00 0.00 C ATOM 1377 CG TYR A 80 -7.176 -10.157 -9.877 1.00 0.00 C ATOM 1378 CD1 TYR A 80 -7.610 -9.011 -10.534 1.00 0.00 C ATOM 1379 CD2 TYR A 80 -7.921 -11.320 -10.029 1.00 0.00 C ATOM 1380 CE1 TYR A 80 -8.749 -9.023 -11.315 1.00 0.00 C ATOM 1381 CE2 TYR A 80 -9.061 -11.342 -10.809 1.00 0.00 C ATOM 1382 CZ TYR A 80 -9.471 -10.191 -11.450 1.00 0.00 C ATOM 1383 OH TYR A 80 -10.606 -10.207 -12.228 1.00 0.00 O ATOM 0 H TYR A 80 -5.009 -7.639 -8.513 1.00 0.00 H new ATOM 0 HA TYR A 80 -7.061 -9.427 -7.341 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -5.097 -9.761 -9.618 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -5.679 -11.160 -8.737 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -7.046 -8.095 -10.432 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -7.603 -12.223 -9.529 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -9.073 -8.123 -11.817 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -9.628 -12.255 -10.916 1.00 0.00 H new ATOM 0 HH TYR A 80 -10.996 -11.106 -12.219 1.00 0.00 H new ATOM 1393 N PRO A 81 -5.373 -9.532 -5.438 1.00 0.00 N ATOM 1394 CA PRO A 81 -4.495 -9.905 -4.325 1.00 0.00 C ATOM 1395 C PRO A 81 -4.374 -11.416 -4.162 1.00 0.00 C ATOM 1396 O PRO A 81 -5.013 -12.011 -3.293 1.00 0.00 O ATOM 1397 CB PRO A 81 -5.187 -9.289 -3.106 1.00 0.00 C ATOM 1398 CG PRO A 81 -6.622 -9.193 -3.494 1.00 0.00 C ATOM 1399 CD PRO A 81 -6.634 -8.930 -4.975 1.00 0.00 C ATOM 0 HA PRO A 81 -3.474 -9.554 -4.476 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -5.057 -9.911 -2.220 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.774 -8.308 -2.870 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -7.153 -10.115 -3.257 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -7.120 -8.390 -2.951 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.498 -9.387 -5.457 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.674 -7.863 -5.193 1.00 0.00 H new ATOM 1407 N LYS A 82 -3.551 -12.033 -5.003 1.00 0.00 N ATOM 1408 CA LYS A 82 -3.345 -13.475 -4.953 1.00 0.00 C ATOM 1409 C LYS A 82 -1.919 -13.835 -5.357 1.00 0.00 C ATOM 1410 O LYS A 82 -1.407 -13.350 -6.367 1.00 0.00 O ATOM 1411 CB LYS A 82 -4.341 -14.186 -5.871 1.00 0.00 C ATOM 1412 CG LYS A 82 -4.169 -15.695 -5.903 1.00 0.00 C ATOM 1413 CD LYS A 82 -4.669 -16.341 -4.622 1.00 0.00 C ATOM 1414 CE LYS A 82 -6.188 -16.411 -4.589 1.00 0.00 C ATOM 1415 NZ LYS A 82 -6.682 -17.177 -3.411 1.00 0.00 N ATOM 0 H LYS A 82 -3.015 -11.556 -5.728 1.00 0.00 H new ATOM 0 HA LYS A 82 -3.508 -13.804 -3.927 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -5.354 -13.951 -5.545 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.233 -13.795 -6.883 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -4.712 -16.106 -6.754 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -3.117 -15.939 -6.048 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -4.255 -17.346 -4.535 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -4.311 -15.773 -3.763 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -6.598 -15.401 -4.564 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -6.550 -16.879 -5.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -7.722 -17.202 -3.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -6.312 -18.148 -3.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -6.358 -16.716 -2.537 1.00 0.00 H new ATOM 1429 N LEU A 83 -1.282 -14.689 -4.563 1.00 0.00 N ATOM 1430 CA LEU A 83 0.086 -15.116 -4.839 1.00 0.00 C ATOM 1431 C LEU A 83 0.150 -15.944 -6.119 1.00 0.00 C ATOM 1432 O LEU A 83 -0.874 -16.224 -6.742 1.00 0.00 O ATOM 1433 CB LEU A 83 0.634 -15.928 -3.664 1.00 0.00 C ATOM 1434 CG LEU A 83 0.220 -17.399 -3.614 1.00 0.00 C ATOM 1435 CD1 LEU A 83 0.971 -18.128 -2.510 1.00 0.00 C ATOM 1436 CD2 LEU A 83 -1.283 -17.524 -3.412 1.00 0.00 C ATOM 0 H LEU A 83 -1.690 -15.099 -3.723 1.00 0.00 H new ATOM 0 HA LEU A 83 0.699 -14.225 -4.974 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.723 -15.878 -3.690 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.315 -15.450 -2.738 1.00 0.00 H new ATOM 0 HG LEU A 83 0.478 -17.861 -4.567 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.663 -19.173 -2.490 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.043 -18.069 -2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.746 -17.665 -1.549 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.559 -18.578 -3.379 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.565 -17.045 -2.474 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.803 -17.038 -4.238 1.00 0.00 H new ATOM 1448 N LYS A 84 1.360 -16.334 -6.504 1.00 0.00 N ATOM 1449 CA LYS A 84 1.560 -17.133 -7.708 1.00 0.00 C ATOM 1450 C LYS A 84 3.004 -17.612 -7.809 1.00 0.00 C ATOM 1451 O LYS A 84 3.940 -16.834 -7.629 1.00 0.00 O ATOM 1452 CB LYS A 84 1.192 -16.320 -8.951 1.00 0.00 C ATOM 1453 CG LYS A 84 0.746 -17.173 -10.125 1.00 0.00 C ATOM 1454 CD LYS A 84 1.926 -17.612 -10.976 1.00 0.00 C ATOM 1455 CE LYS A 84 1.470 -18.376 -12.210 1.00 0.00 C ATOM 1456 NZ LYS A 84 1.095 -17.459 -13.323 1.00 0.00 N ATOM 0 H LYS A 84 2.218 -16.110 -6.000 1.00 0.00 H new ATOM 0 HA LYS A 84 0.910 -18.006 -7.647 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.394 -15.623 -8.696 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.053 -15.723 -9.253 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.215 -18.051 -9.757 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.043 -16.610 -10.739 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.502 -16.738 -11.280 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.590 -18.240 -10.383 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.268 -19.041 -12.541 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.617 -19.004 -11.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.790 -18.018 -14.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.317 -16.841 -13.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.916 -16.877 -13.585 1.00 0.00 H new ATOM 1470 N ALA A 85 3.178 -18.897 -8.101 1.00 0.00 N ATOM 1471 CA ALA A 85 4.508 -19.478 -8.230 1.00 0.00 C ATOM 1472 C ALA A 85 4.777 -19.919 -9.665 1.00 0.00 C ATOM 1473 O ALA A 85 3.850 -20.221 -10.417 1.00 0.00 O ATOM 1474 CB ALA A 85 4.666 -20.653 -7.276 1.00 0.00 C ATOM 0 H ALA A 85 2.414 -19.555 -8.253 1.00 0.00 H new ATOM 0 HA ALA A 85 5.239 -18.712 -7.970 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.664 -21.077 -7.383 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.525 -20.311 -6.251 1.00 0.00 H new ATOM 0 HB3 ALA A 85 3.921 -21.414 -7.510 1.00 0.00 H new ATOM 1480 N THR A 86 6.053 -19.955 -10.039 1.00 0.00 N ATOM 1481 CA THR A 86 6.444 -20.357 -11.384 1.00 0.00 C ATOM 1482 C THR A 86 7.723 -21.186 -11.360 1.00 0.00 C ATOM 1483 O THR A 86 8.453 -21.189 -10.368 1.00 0.00 O ATOM 1484 CB THR A 86 6.654 -19.135 -12.297 1.00 0.00 C ATOM 1485 OG1 THR A 86 7.613 -18.246 -11.713 1.00 0.00 O ATOM 1486 CG2 THR A 86 5.343 -18.397 -12.524 1.00 0.00 C ATOM 0 H THR A 86 6.833 -19.710 -9.429 1.00 0.00 H new ATOM 0 HA THR A 86 5.630 -20.962 -11.782 1.00 0.00 H new ATOM 0 HB THR A 86 7.025 -19.488 -13.259 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.742 -17.472 -12.301 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.517 -17.538 -13.172 1.00 0.00 H new ATOM 0 HG22 THR A 86 4.625 -19.068 -12.996 1.00 0.00 H new ATOM 0 HG23 THR A 86 4.947 -18.056 -11.567 1.00 0.00 H new ATOM 1494 N ASP A 87 7.989 -21.886 -12.457 1.00 0.00 N ATOM 1495 CA ASP A 87 9.183 -22.717 -12.562 1.00 0.00 C ATOM 1496 C ASP A 87 10.352 -21.920 -13.132 1.00 0.00 C ATOM 1497 O ASP A 87 10.237 -20.719 -13.373 1.00 0.00 O ATOM 1498 CB ASP A 87 8.905 -23.937 -13.441 1.00 0.00 C ATOM 1499 CG ASP A 87 7.924 -24.901 -12.802 1.00 0.00 C ATOM 1500 OD1 ASP A 87 8.355 -25.709 -11.953 1.00 0.00 O ATOM 1501 OD2 ASP A 87 6.726 -24.847 -13.151 1.00 0.00 O ATOM 0 H ASP A 87 7.395 -21.895 -13.286 1.00 0.00 H new ATOM 0 HA ASP A 87 9.450 -23.053 -11.560 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.511 -23.606 -14.402 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.842 -24.457 -13.642 1.00 0.00 H new ATOM 1506 N GLU A 88 11.477 -22.597 -13.343 1.00 0.00 N ATOM 1507 CA GLU A 88 12.667 -21.950 -13.882 1.00 0.00 C ATOM 1508 C GLU A 88 13.652 -22.985 -14.420 1.00 0.00 C ATOM 1509 O GLU A 88 13.758 -24.090 -13.889 1.00 0.00 O ATOM 1510 CB GLU A 88 13.343 -21.097 -12.807 1.00 0.00 C ATOM 1511 CG GLU A 88 14.538 -20.310 -13.317 1.00 0.00 C ATOM 1512 CD GLU A 88 15.810 -21.135 -13.348 1.00 0.00 C ATOM 1513 OE1 GLU A 88 15.830 -22.219 -12.729 1.00 0.00 O ATOM 1514 OE2 GLU A 88 16.785 -20.695 -13.992 1.00 0.00 O ATOM 0 H GLU A 88 11.589 -23.592 -13.149 1.00 0.00 H new ATOM 0 HA GLU A 88 12.358 -21.305 -14.705 1.00 0.00 H new ATOM 0 HB2 GLU A 88 12.612 -20.403 -12.393 1.00 0.00 H new ATOM 0 HB3 GLU A 88 13.666 -21.744 -11.992 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.324 -19.941 -14.320 1.00 0.00 H new ATOM 0 HG3 GLU A 88 14.691 -19.437 -12.682 1.00 0.00 H new ATOM 1521 N ASP A 89 14.369 -22.617 -15.476 1.00 0.00 N ATOM 1522 CA ASP A 89 15.345 -23.512 -16.086 1.00 0.00 C ATOM 1523 C ASP A 89 16.768 -23.044 -15.794 1.00 0.00 C ATOM 1524 O ASP A 89 17.393 -22.375 -16.617 1.00 0.00 O ATOM 1525 CB ASP A 89 15.122 -23.591 -17.597 1.00 0.00 C ATOM 1526 CG ASP A 89 13.906 -24.421 -17.960 1.00 0.00 C ATOM 1527 OD1 ASP A 89 12.804 -24.104 -17.466 1.00 0.00 O ATOM 1528 OD2 ASP A 89 14.057 -25.388 -18.736 1.00 0.00 O ATOM 0 H ASP A 89 14.293 -21.705 -15.927 1.00 0.00 H new ATOM 0 HA ASP A 89 15.211 -24.504 -15.654 1.00 0.00 H new ATOM 0 HB2 ASP A 89 15.004 -22.584 -17.997 1.00 0.00 H new ATOM 0 HB3 ASP A 89 16.005 -24.020 -18.070 1.00 0.00 H new TER 1533 ASP A 89