USER MOD reduce.3.24.130724 H: found=0, std=0, add=1037, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 1032 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 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 112 GLN : amide:sc= -1.48 X(o=-1.5,f=-1.6) USER MOD Set 2.1: A 61 SER OG : rot -26:sc= 1.17 USER MOD Set 2.2: A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 35 ASN : amide:sc= -0.445 K(o=-0.81,f=-17!) USER MOD Set 3.2: A 57 HIS : no HD1:sc= -0.36 K(o=-0.81,f=-8.1!) USER MOD Set 4.1: A 19 HIS : no HE2:sc= -5.78! C(o=-6.5!,f=-10!) USER MOD Set 4.2: A 20 ASN : amide:sc= -0.766 K(o=-6.5,f=-8.2) USER MOD Set 5.1: A 10 MET CE :methyl 139:sc= -0.208 (180deg=-0.314) USER MOD Set 5.2: A 76 GLN : amide:sc= -0.467 K(o=-0.68,f=-1.7!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl -178:sc= -2.83! (180deg=-3!) USER MOD Single : A 15 THR OG1 : rot -35:sc= 1.22 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -53:sc= 1.15 USER MOD Single : A 33 TYR OH : rot -85:sc= -0.569 USER MOD Single : A 36 MET CE :methyl -155:sc= -0.0194 (180deg=-0.103) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.566 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 159:sc= 0.138 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -1.04 K(o=-1,f=-4.1!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -117:sc= -3.89! USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -2.08! X(o=-2.1!,f=-2) USER MOD Single : A 70 GLN : amide:sc= -0.0764 X(o=-0.076,f=-0.087) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HE2:sc= 0.272 K(o=0.27,f=-1.3) USER MOD Single : A 80 ASN : amide:sc= -0.186 K(o=-0.19,f=-5.3!) USER MOD Single : A 83 CYS SG : rot -111:sc= -1.18 USER MOD Single : A 84 LYS NZ :NH3+ -123:sc= 0.0832! (180deg=-3.51!) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 105 GLN : 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 114 LYS NZ :NH3+ -121:sc=-0.00577 (180deg=-0.719) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 128 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.428 -28.996 1.490 1.00 0.00 N ATOM 2 CA GLY A 1 0.476 -30.100 1.227 1.00 0.00 C ATOM 3 C GLY A 1 1.248 -30.524 2.461 1.00 0.00 C ATOM 4 O GLY A 1 0.656 -30.832 3.496 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.932 -28.744 0.616 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.116 -29.277 2.217 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.115 -28.175 1.826 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.093 -30.949 0.849 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.178 -29.812 0.444 1.00 0.00 H new ATOM 8 N SER A 2 2.572 -30.543 2.352 1.00 0.00 N ATOM 9 CA SER A 2 3.426 -30.938 3.466 1.00 0.00 C ATOM 10 C SER A 2 2.989 -30.250 4.756 1.00 0.00 C ATOM 11 O SER A 2 2.712 -29.051 4.769 1.00 0.00 O ATOM 12 CB SER A 2 4.886 -30.598 3.163 1.00 0.00 C ATOM 13 OG SER A 2 5.021 -29.250 2.747 1.00 0.00 O ATOM 0 H SER A 2 3.077 -30.289 1.503 1.00 0.00 H new ATOM 0 HA SER A 2 3.332 -32.016 3.599 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.494 -30.770 4.051 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.263 -31.261 2.385 1.00 0.00 H new ATOM 0 HG SER A 2 5.964 -29.058 2.561 1.00 0.00 H new ATOM 19 N SER A 3 2.930 -31.019 5.838 1.00 0.00 N ATOM 20 CA SER A 3 2.523 -30.485 7.133 1.00 0.00 C ATOM 21 C SER A 3 3.241 -29.173 7.430 1.00 0.00 C ATOM 22 O SER A 3 4.462 -29.080 7.313 1.00 0.00 O ATOM 23 CB SER A 3 2.813 -31.500 8.240 1.00 0.00 C ATOM 24 OG SER A 3 2.085 -32.699 8.037 1.00 0.00 O ATOM 0 H SER A 3 3.159 -32.013 5.844 1.00 0.00 H new ATOM 0 HA SER A 3 1.451 -30.292 7.098 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.880 -31.719 8.266 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.552 -31.072 9.208 1.00 0.00 H new ATOM 0 HG SER A 3 2.289 -33.332 8.757 1.00 0.00 H new ATOM 30 N GLY A 4 2.472 -28.158 7.815 1.00 0.00 N ATOM 31 CA GLY A 4 3.052 -26.864 8.123 1.00 0.00 C ATOM 32 C GLY A 4 2.690 -25.808 7.097 1.00 0.00 C ATOM 33 O GLY A 4 3.377 -25.651 6.088 1.00 0.00 O ATOM 0 H GLY A 4 1.459 -28.209 7.919 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.712 -26.542 9.107 1.00 0.00 H new ATOM 0 HA3 GLY A 4 4.137 -26.959 8.176 1.00 0.00 H new ATOM 37 N SER A 5 1.605 -25.083 7.353 1.00 0.00 N ATOM 38 CA SER A 5 1.150 -24.040 6.442 1.00 0.00 C ATOM 39 C SER A 5 2.304 -23.126 6.042 1.00 0.00 C ATOM 40 O SER A 5 2.847 -22.395 6.871 1.00 0.00 O ATOM 41 CB SER A 5 0.034 -23.219 7.089 1.00 0.00 C ATOM 42 OG SER A 5 -1.196 -23.924 7.070 1.00 0.00 O ATOM 0 H SER A 5 1.025 -25.199 8.184 1.00 0.00 H new ATOM 0 HA SER A 5 0.763 -24.521 5.544 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.304 -22.980 8.118 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.078 -22.272 6.561 1.00 0.00 H new ATOM 0 HG SER A 5 -1.892 -23.378 7.491 1.00 0.00 H new ATOM 48 N SER A 6 2.673 -23.172 4.766 1.00 0.00 N ATOM 49 CA SER A 6 3.765 -22.351 4.256 1.00 0.00 C ATOM 50 C SER A 6 3.336 -20.892 4.132 1.00 0.00 C ATOM 51 O SER A 6 2.192 -20.597 3.787 1.00 0.00 O ATOM 52 CB SER A 6 4.232 -22.874 2.896 1.00 0.00 C ATOM 53 OG SER A 6 5.050 -21.922 2.238 1.00 0.00 O ATOM 0 H SER A 6 2.232 -23.769 4.066 1.00 0.00 H new ATOM 0 HA SER A 6 4.592 -22.410 4.964 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.786 -23.803 3.031 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.367 -23.106 2.275 1.00 0.00 H new ATOM 0 HG SER A 6 5.337 -22.280 1.372 1.00 0.00 H new ATOM 59 N GLY A 7 4.263 -19.982 4.417 1.00 0.00 N ATOM 60 CA GLY A 7 3.962 -18.565 4.332 1.00 0.00 C ATOM 61 C GLY A 7 3.275 -18.043 5.578 1.00 0.00 C ATOM 62 O GLY A 7 3.724 -17.067 6.181 1.00 0.00 O ATOM 0 H GLY A 7 5.217 -20.201 4.705 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.886 -18.009 4.170 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.325 -18.383 3.466 1.00 0.00 H new ATOM 66 N LEU A 8 2.182 -18.692 5.965 1.00 0.00 N ATOM 67 CA LEU A 8 1.430 -18.286 7.147 1.00 0.00 C ATOM 68 C LEU A 8 2.364 -18.033 8.327 1.00 0.00 C ATOM 69 O LEU A 8 2.225 -17.040 9.041 1.00 0.00 O ATOM 70 CB LEU A 8 0.403 -19.358 7.515 1.00 0.00 C ATOM 71 CG LEU A 8 -0.945 -19.270 6.799 1.00 0.00 C ATOM 72 CD1 LEU A 8 -0.912 -20.061 5.500 1.00 0.00 C ATOM 73 CD2 LEU A 8 -2.063 -19.770 7.702 1.00 0.00 C ATOM 0 H LEU A 8 1.797 -19.501 5.478 1.00 0.00 H new ATOM 0 HA LEU A 8 0.909 -17.357 6.915 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.838 -20.336 7.309 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.225 -19.309 8.589 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.140 -18.225 6.559 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.880 -19.987 5.004 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.138 -19.657 4.847 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.694 -21.107 5.716 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.015 -19.700 7.176 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.874 -20.809 7.974 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.102 -19.160 8.605 1.00 0.00 H new ATOM 85 N LYS A 9 3.316 -18.938 8.524 1.00 0.00 N ATOM 86 CA LYS A 9 4.276 -18.813 9.615 1.00 0.00 C ATOM 87 C LYS A 9 4.759 -17.373 9.753 1.00 0.00 C ATOM 88 O LYS A 9 4.997 -16.892 10.860 1.00 0.00 O ATOM 89 CB LYS A 9 5.470 -19.742 9.380 1.00 0.00 C ATOM 90 CG LYS A 9 5.246 -21.159 9.881 1.00 0.00 C ATOM 91 CD LYS A 9 5.305 -21.229 11.398 1.00 0.00 C ATOM 92 CE LYS A 9 6.739 -21.181 11.903 1.00 0.00 C ATOM 93 NZ LYS A 9 6.803 -20.897 13.364 1.00 0.00 N ATOM 0 H LYS A 9 3.444 -19.766 7.943 1.00 0.00 H new ATOM 0 HA LYS A 9 3.776 -19.100 10.540 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.691 -19.773 8.313 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.347 -19.325 9.875 1.00 0.00 H new ATOM 0 HG2 LYS A 9 4.276 -21.519 9.537 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.001 -21.820 9.456 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.740 -20.400 11.824 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.828 -22.148 11.740 1.00 0.00 H new ATOM 0 HE2 LYS A 9 7.229 -22.132 11.696 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.290 -20.414 11.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 7.797 -20.872 13.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.358 -19.977 13.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.299 -21.643 13.885 1.00 0.00 H new ATOM 107 N MET A 10 4.901 -16.690 8.621 1.00 0.00 N ATOM 108 CA MET A 10 5.352 -15.304 8.617 1.00 0.00 C ATOM 109 C MET A 10 4.183 -14.350 8.838 1.00 0.00 C ATOM 110 O MET A 10 4.262 -13.433 9.656 1.00 0.00 O ATOM 111 CB MET A 10 6.050 -14.976 7.295 1.00 0.00 C ATOM 112 CG MET A 10 7.276 -15.834 7.026 1.00 0.00 C ATOM 113 SD MET A 10 7.871 -15.684 5.331 1.00 0.00 S ATOM 114 CE MET A 10 9.206 -14.509 5.544 1.00 0.00 C ATOM 0 H MET A 10 4.710 -17.074 7.696 1.00 0.00 H new ATOM 0 HA MET A 10 6.061 -15.177 9.435 1.00 0.00 H new ATOM 0 HB2 MET A 10 5.341 -15.104 6.477 1.00 0.00 H new ATOM 0 HB3 MET A 10 6.345 -13.927 7.300 1.00 0.00 H new ATOM 0 HG2 MET A 10 8.072 -15.548 7.713 1.00 0.00 H new ATOM 0 HG3 MET A 10 7.037 -16.877 7.232 1.00 0.00 H new ATOM 0 HE1 MET A 10 10.057 -14.810 4.933 1.00 0.00 H new ATOM 0 HE2 MET A 10 8.871 -13.518 5.236 1.00 0.00 H new ATOM 0 HE3 MET A 10 9.503 -14.482 6.592 1.00 0.00 H new ATOM 124 N LEU A 11 3.098 -14.572 8.103 1.00 0.00 N ATOM 125 CA LEU A 11 1.911 -13.731 8.219 1.00 0.00 C ATOM 126 C LEU A 11 1.682 -13.309 9.666 1.00 0.00 C ATOM 127 O LEU A 11 1.354 -12.154 9.942 1.00 0.00 O ATOM 128 CB LEU A 11 0.682 -14.475 7.692 1.00 0.00 C ATOM 129 CG LEU A 11 -0.464 -13.601 7.183 1.00 0.00 C ATOM 130 CD1 LEU A 11 0.018 -12.681 6.073 1.00 0.00 C ATOM 131 CD2 LEU A 11 -1.619 -14.465 6.698 1.00 0.00 C ATOM 0 H LEU A 11 3.016 -15.326 7.421 1.00 0.00 H new ATOM 0 HA LEU A 11 2.071 -12.835 7.620 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.999 -15.131 6.882 1.00 0.00 H new ATOM 0 HB3 LEU A 11 0.299 -15.113 8.488 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.819 -12.985 8.009 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.812 -12.067 5.724 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.811 -12.037 6.453 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.401 -13.279 5.246 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.426 -13.826 6.339 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -1.277 -15.108 5.887 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -1.983 -15.081 7.520 1.00 0.00 H new ATOM 143 N ARG A 12 1.859 -14.250 10.588 1.00 0.00 N ATOM 144 CA ARG A 12 1.673 -13.975 12.007 1.00 0.00 C ATOM 145 C ARG A 12 2.574 -12.830 12.462 1.00 0.00 C ATOM 146 O ARG A 12 2.099 -11.829 12.999 1.00 0.00 O ATOM 147 CB ARG A 12 1.966 -15.228 12.834 1.00 0.00 C ATOM 148 CG ARG A 12 2.048 -14.966 14.329 1.00 0.00 C ATOM 149 CD ARG A 12 1.765 -16.225 15.132 1.00 0.00 C ATOM 150 NE ARG A 12 0.342 -16.554 15.150 1.00 0.00 N ATOM 151 CZ ARG A 12 -0.230 -17.290 16.097 1.00 0.00 C ATOM 152 NH1 ARG A 12 0.495 -17.771 17.097 1.00 0.00 N ATOM 153 NH2 ARG A 12 -1.531 -17.546 16.044 1.00 0.00 N ATOM 0 H ARG A 12 2.131 -15.210 10.377 1.00 0.00 H new ATOM 0 HA ARG A 12 0.635 -13.681 12.161 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.188 -15.968 12.646 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.907 -15.663 12.498 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.040 -14.589 14.579 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.333 -14.190 14.603 1.00 0.00 H new ATOM 0 HD2 ARG A 12 2.325 -17.059 14.708 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.119 -16.090 16.154 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.245 -16.200 14.395 1.00 0.00 H new ATOM 0 HH11 ARG A 12 1.495 -17.577 17.141 1.00 0.00 H new ATOM 0 HH12 ARG A 12 0.053 -18.336 17.822 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.092 -17.178 15.276 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.970 -18.111 16.771 1.00 0.00 H new ATOM 167 N ASP A 13 3.875 -12.986 12.244 1.00 0.00 N ATOM 168 CA ASP A 13 4.842 -11.966 12.630 1.00 0.00 C ATOM 169 C ASP A 13 4.518 -10.631 11.968 1.00 0.00 C ATOM 170 O ASP A 13 4.770 -9.568 12.535 1.00 0.00 O ATOM 171 CB ASP A 13 6.258 -12.406 12.253 1.00 0.00 C ATOM 172 CG ASP A 13 7.299 -11.357 12.590 1.00 0.00 C ATOM 173 OD1 ASP A 13 7.769 -11.338 13.748 1.00 0.00 O ATOM 174 OD2 ASP A 13 7.646 -10.557 11.697 1.00 0.00 O ATOM 0 H ASP A 13 4.284 -13.809 11.802 1.00 0.00 H new ATOM 0 HA ASP A 13 4.785 -11.838 13.711 1.00 0.00 H new ATOM 0 HB2 ASP A 13 6.498 -13.333 12.774 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.296 -12.622 11.185 1.00 0.00 H new ATOM 179 N MET A 14 3.959 -10.693 10.764 1.00 0.00 N ATOM 180 CA MET A 14 3.600 -9.489 10.024 1.00 0.00 C ATOM 181 C MET A 14 2.532 -8.693 10.767 1.00 0.00 C ATOM 182 O MET A 14 2.628 -7.472 10.894 1.00 0.00 O ATOM 183 CB MET A 14 3.101 -9.853 8.625 1.00 0.00 C ATOM 184 CG MET A 14 4.219 -10.116 7.630 1.00 0.00 C ATOM 185 SD MET A 14 3.755 -11.314 6.364 1.00 0.00 S ATOM 186 CE MET A 14 2.361 -10.483 5.607 1.00 0.00 C ATOM 0 H MET A 14 3.745 -11.565 10.280 1.00 0.00 H new ATOM 0 HA MET A 14 4.492 -8.869 9.933 1.00 0.00 H new ATOM 0 HB2 MET A 14 2.470 -10.739 8.693 1.00 0.00 H new ATOM 0 HB3 MET A 14 2.475 -9.044 8.250 1.00 0.00 H new ATOM 0 HG2 MET A 14 4.502 -9.179 7.151 1.00 0.00 H new ATOM 0 HG3 MET A 14 5.097 -10.479 8.164 1.00 0.00 H new ATOM 0 HE1 MET A 14 1.940 -11.116 4.826 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.601 -10.285 6.363 1.00 0.00 H new ATOM 0 HE3 MET A 14 2.692 -9.541 5.171 1.00 0.00 H new ATOM 196 N THR A 15 1.513 -9.392 11.257 1.00 0.00 N ATOM 197 CA THR A 15 0.426 -8.750 11.986 1.00 0.00 C ATOM 198 C THR A 15 0.902 -8.230 13.337 1.00 0.00 C ATOM 199 O THR A 15 0.200 -7.468 14.002 1.00 0.00 O ATOM 200 CB THR A 15 -0.751 -9.719 12.207 1.00 0.00 C ATOM 201 OG1 THR A 15 -0.346 -10.795 13.061 1.00 0.00 O ATOM 202 CG2 THR A 15 -1.250 -10.277 10.882 1.00 0.00 C ATOM 0 H THR A 15 1.418 -10.403 11.162 1.00 0.00 H new ATOM 0 HA THR A 15 0.088 -7.912 11.376 1.00 0.00 H new ATOM 0 HB THR A 15 -1.563 -9.167 12.679 1.00 0.00 H new ATOM 0 HG1 THR A 15 0.589 -11.024 12.877 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.081 -10.958 11.064 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.585 -9.458 10.245 1.00 0.00 H new ATOM 0 HG23 THR A 15 -0.442 -10.815 10.386 1.00 0.00 H new ATOM 210 N GLY A 16 2.099 -8.645 13.738 1.00 0.00 N ATOM 211 CA GLY A 16 2.649 -8.210 15.009 1.00 0.00 C ATOM 212 C GLY A 16 3.517 -6.975 14.872 1.00 0.00 C ATOM 213 O GLY A 16 3.555 -6.131 15.768 1.00 0.00 O ATOM 0 H GLY A 16 2.699 -9.275 13.205 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.834 -8.003 15.702 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.238 -9.018 15.442 1.00 0.00 H new ATOM 217 N LEU A 17 4.219 -6.869 13.749 1.00 0.00 N ATOM 218 CA LEU A 17 5.094 -5.729 13.499 1.00 0.00 C ATOM 219 C LEU A 17 4.496 -4.448 14.072 1.00 0.00 C ATOM 220 O LEU A 17 3.281 -4.311 14.216 1.00 0.00 O ATOM 221 CB LEU A 17 5.335 -5.566 11.997 1.00 0.00 C ATOM 222 CG LEU A 17 6.168 -6.659 11.328 1.00 0.00 C ATOM 223 CD1 LEU A 17 6.296 -6.395 9.836 1.00 0.00 C ATOM 224 CD2 LEU A 17 7.542 -6.754 11.975 1.00 0.00 C ATOM 0 H LEU A 17 4.199 -7.558 12.997 1.00 0.00 H new ATOM 0 HA LEU A 17 6.046 -5.917 13.995 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.367 -5.518 11.497 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.828 -4.608 11.830 1.00 0.00 H new ATOM 0 HG LEU A 17 5.658 -7.613 11.465 1.00 0.00 H new ATOM 0 HD11 LEU A 17 6.892 -7.183 9.377 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.305 -6.379 9.383 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.783 -5.433 9.677 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.121 -7.537 11.486 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.060 -5.801 11.870 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.430 -6.992 13.033 1.00 0.00 H new ATOM 236 N PRO A 18 5.368 -3.485 14.405 1.00 0.00 N ATOM 237 CA PRO A 18 4.949 -2.196 14.965 1.00 0.00 C ATOM 238 C PRO A 18 4.230 -1.326 13.941 1.00 0.00 C ATOM 239 O PRO A 18 3.205 -0.713 14.242 1.00 0.00 O ATOM 240 CB PRO A 18 6.269 -1.546 15.386 1.00 0.00 C ATOM 241 CG PRO A 18 7.297 -2.171 14.507 1.00 0.00 C ATOM 242 CD PRO A 18 6.831 -3.580 14.261 1.00 0.00 C ATOM 0 HA PRO A 18 4.239 -2.318 15.783 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.238 -0.465 15.252 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.483 -1.731 16.439 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.394 -1.623 13.570 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.277 -2.162 14.985 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.115 -3.930 13.269 1.00 0.00 H new ATOM 0 HD3 PRO A 18 7.261 -4.277 14.980 1.00 0.00 H new ATOM 250 N HIS A 19 4.772 -1.276 12.728 1.00 0.00 N ATOM 251 CA HIS A 19 4.180 -0.480 11.658 1.00 0.00 C ATOM 252 C HIS A 19 2.865 -1.094 11.188 1.00 0.00 C ATOM 253 O HIS A 19 2.125 -0.485 10.418 1.00 0.00 O ATOM 254 CB HIS A 19 5.152 -0.366 10.483 1.00 0.00 C ATOM 255 CG HIS A 19 5.893 -1.634 10.192 1.00 0.00 C ATOM 256 ND1 HIS A 19 7.074 -1.975 10.818 1.00 0.00 N ATOM 257 CD2 HIS A 19 5.615 -2.647 9.339 1.00 0.00 C ATOM 258 CE1 HIS A 19 7.491 -3.142 10.360 1.00 0.00 C ATOM 259 NE2 HIS A 19 6.623 -3.571 9.462 1.00 0.00 N ATOM 0 H HIS A 19 5.620 -1.777 12.462 1.00 0.00 H new ATOM 0 HA HIS A 19 3.975 0.516 12.049 1.00 0.00 H new ATOM 0 HB2 HIS A 19 4.599 -0.066 9.593 1.00 0.00 H new ATOM 0 HB3 HIS A 19 5.872 0.425 10.693 1.00 0.00 H new ATOM 0 HD1 HIS A 19 7.551 -1.414 11.524 1.00 0.00 H new ATOM 0 HD2 HIS A 19 4.759 -2.716 8.683 1.00 0.00 H new ATOM 0 HE1 HIS A 19 8.389 -3.657 10.668 1.00 0.00 H new ATOM 267 N ASN A 20 2.582 -2.305 11.658 1.00 0.00 N ATOM 268 CA ASN A 20 1.356 -3.002 11.285 1.00 0.00 C ATOM 269 C ASN A 20 0.487 -3.268 12.510 1.00 0.00 C ATOM 270 O ASN A 20 -0.188 -4.294 12.594 1.00 0.00 O ATOM 271 CB ASN A 20 1.688 -4.321 10.585 1.00 0.00 C ATOM 272 CG ASN A 20 2.532 -4.120 9.341 1.00 0.00 C ATOM 273 OD1 ASN A 20 2.516 -3.049 8.733 1.00 0.00 O ATOM 274 ND2 ASN A 20 3.274 -5.151 8.956 1.00 0.00 N ATOM 0 H ASN A 20 3.184 -2.824 12.297 1.00 0.00 H new ATOM 0 HA ASN A 20 0.799 -2.364 10.599 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.218 -4.974 11.279 1.00 0.00 H new ATOM 0 HB3 ASN A 20 0.762 -4.828 10.314 1.00 0.00 H new ATOM 0 HD21 ASN A 20 3.862 -5.075 8.126 1.00 0.00 H new ATOM 0 HD22 ASN A 20 3.256 -6.020 9.490 1.00 0.00 H new ATOM 281 N ARG A 21 0.508 -2.336 13.457 1.00 0.00 N ATOM 282 CA ARG A 21 -0.277 -2.470 14.678 1.00 0.00 C ATOM 283 C ARG A 21 -1.657 -1.841 14.509 1.00 0.00 C ATOM 284 O ARG A 21 -2.621 -2.249 15.156 1.00 0.00 O ATOM 285 CB ARG A 21 0.452 -1.816 15.853 1.00 0.00 C ATOM 286 CG ARG A 21 1.773 -2.485 16.198 1.00 0.00 C ATOM 287 CD ARG A 21 1.557 -3.828 16.877 1.00 0.00 C ATOM 288 NE ARG A 21 0.994 -3.680 18.217 1.00 0.00 N ATOM 289 CZ ARG A 21 0.906 -4.676 19.091 1.00 0.00 C ATOM 290 NH1 ARG A 21 1.341 -5.886 18.768 1.00 0.00 N ATOM 291 NH2 ARG A 21 0.381 -4.463 20.291 1.00 0.00 N ATOM 0 H ARG A 21 1.060 -1.480 13.402 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.403 -3.533 14.884 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.636 -0.768 15.618 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -0.196 -1.837 16.729 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.359 -2.625 15.290 1.00 0.00 H new ATOM 0 HG3 ARG A 21 2.352 -1.834 16.853 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.889 -4.438 16.269 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.507 -4.359 16.939 1.00 0.00 H new ATOM 0 HE ARG A 21 0.650 -2.761 18.497 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.744 -6.054 17.846 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.272 -6.649 19.441 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.045 -3.534 20.543 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.314 -5.229 20.962 1.00 0.00 H new ATOM 305 N LYS A 22 -1.744 -0.845 13.634 1.00 0.00 N ATOM 306 CA LYS A 22 -3.005 -0.159 13.378 1.00 0.00 C ATOM 307 C LYS A 22 -3.342 -0.177 11.890 1.00 0.00 C ATOM 308 O LYS A 22 -2.561 -0.665 11.072 1.00 0.00 O ATOM 309 CB LYS A 22 -2.934 1.286 13.877 1.00 0.00 C ATOM 310 CG LYS A 22 -3.127 1.421 15.378 1.00 0.00 C ATOM 311 CD LYS A 22 -2.858 2.840 15.849 1.00 0.00 C ATOM 312 CE LYS A 22 -2.925 2.946 17.365 1.00 0.00 C ATOM 313 NZ LYS A 22 -3.102 4.355 17.815 1.00 0.00 N ATOM 0 H LYS A 22 -0.956 -0.495 13.090 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.792 -0.686 13.918 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.967 1.709 13.604 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.695 1.876 13.367 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.145 1.136 15.642 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.459 0.732 15.895 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -1.874 3.159 15.504 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.587 3.517 15.403 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.752 2.340 17.735 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.012 2.538 17.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.143 4.385 18.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.300 4.929 17.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.986 4.736 17.422 1.00 0.00 H new ATOM 327 N CYS A 23 -4.509 0.357 11.546 1.00 0.00 N ATOM 328 CA CYS A 23 -4.949 0.403 10.157 1.00 0.00 C ATOM 329 C CYS A 23 -4.140 1.424 9.363 1.00 0.00 C ATOM 330 O CYS A 23 -3.325 2.158 9.923 1.00 0.00 O ATOM 331 CB CYS A 23 -6.438 0.747 10.083 1.00 0.00 C ATOM 332 SG CYS A 23 -7.284 0.077 8.616 1.00 0.00 S ATOM 0 H CYS A 23 -5.167 0.764 12.210 1.00 0.00 H new ATOM 0 HA CYS A 23 -4.788 -0.582 9.719 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -6.932 0.369 10.978 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.550 1.831 10.090 1.00 0.00 H new ATOM 337 N PHE A 24 -4.370 1.465 8.055 1.00 0.00 N ATOM 338 CA PHE A 24 -3.662 2.396 7.183 1.00 0.00 C ATOM 339 C PHE A 24 -4.474 3.671 6.974 1.00 0.00 C ATOM 340 O PHE A 24 -3.915 4.750 6.775 1.00 0.00 O ATOM 341 CB PHE A 24 -3.367 1.739 5.833 1.00 0.00 C ATOM 342 CG PHE A 24 -2.541 2.596 4.917 1.00 0.00 C ATOM 343 CD1 PHE A 24 -3.092 3.713 4.309 1.00 0.00 C ATOM 344 CD2 PHE A 24 -1.215 2.285 4.663 1.00 0.00 C ATOM 345 CE1 PHE A 24 -2.335 4.505 3.465 1.00 0.00 C ATOM 346 CE2 PHE A 24 -0.454 3.073 3.821 1.00 0.00 C ATOM 347 CZ PHE A 24 -1.014 4.183 3.220 1.00 0.00 C ATOM 0 H PHE A 24 -5.041 0.865 7.575 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.721 2.661 7.664 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -2.847 0.796 6.003 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -4.310 1.499 5.341 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.125 3.968 4.497 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.771 1.417 5.128 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.776 5.374 2.998 1.00 0.00 H new ATOM 0 HE2 PHE A 24 0.579 2.821 3.633 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.421 4.798 2.560 1.00 0.00 H new ATOM 357 N ASP A 25 -5.795 3.538 7.021 1.00 0.00 N ATOM 358 CA ASP A 25 -6.685 4.678 6.838 1.00 0.00 C ATOM 359 C ASP A 25 -7.236 5.158 8.177 1.00 0.00 C ATOM 360 O ASP A 25 -6.904 6.249 8.642 1.00 0.00 O ATOM 361 CB ASP A 25 -7.837 4.308 5.902 1.00 0.00 C ATOM 362 CG ASP A 25 -7.405 3.361 4.799 1.00 0.00 C ATOM 363 OD1 ASP A 25 -6.315 3.573 4.228 1.00 0.00 O ATOM 364 OD2 ASP A 25 -8.157 2.408 4.507 1.00 0.00 O ATOM 0 H ASP A 25 -6.273 2.652 7.184 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.109 5.488 6.391 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -8.637 3.847 6.480 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -8.247 5.215 5.458 1.00 0.00 H new ATOM 369 N CYS A 26 -8.080 4.337 8.792 1.00 0.00 N ATOM 370 CA CYS A 26 -8.679 4.677 10.077 1.00 0.00 C ATOM 371 C CYS A 26 -7.702 4.415 11.219 1.00 0.00 C ATOM 372 O CYS A 26 -8.066 4.495 12.392 1.00 0.00 O ATOM 373 CB CYS A 26 -9.962 3.872 10.294 1.00 0.00 C ATOM 374 SG CYS A 26 -9.689 2.087 10.531 1.00 0.00 S ATOM 0 H CYS A 26 -8.365 3.431 8.421 1.00 0.00 H new ATOM 0 HA CYS A 26 -8.922 5.740 10.067 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -10.483 4.268 11.166 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.619 4.017 9.436 1.00 0.00 H new ATOM 379 N ASP A 27 -6.460 4.102 10.867 1.00 0.00 N ATOM 380 CA ASP A 27 -5.429 3.829 11.862 1.00 0.00 C ATOM 381 C ASP A 27 -6.001 3.041 13.036 1.00 0.00 C ATOM 382 O ASP A 27 -5.575 3.213 14.177 1.00 0.00 O ATOM 383 CB ASP A 27 -4.814 5.138 12.361 1.00 0.00 C ATOM 384 CG ASP A 27 -4.336 6.023 11.227 1.00 0.00 C ATOM 385 OD1 ASP A 27 -3.299 5.694 10.615 1.00 0.00 O ATOM 386 OD2 ASP A 27 -4.999 7.045 10.953 1.00 0.00 O ATOM 0 H ASP A 27 -6.142 4.031 9.900 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.652 3.228 11.389 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.551 5.679 12.954 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -3.976 4.914 13.021 1.00 0.00 H new ATOM 391 N GLN A 28 -6.970 2.178 12.746 1.00 0.00 N ATOM 392 CA GLN A 28 -7.602 1.365 13.779 1.00 0.00 C ATOM 393 C GLN A 28 -6.688 0.221 14.206 1.00 0.00 C ATOM 394 O GLN A 28 -5.967 -0.349 13.387 1.00 0.00 O ATOM 395 CB GLN A 28 -8.935 0.809 13.275 1.00 0.00 C ATOM 396 CG GLN A 28 -9.565 -0.206 14.215 1.00 0.00 C ATOM 397 CD GLN A 28 -10.725 -0.947 13.581 1.00 0.00 C ATOM 398 OE1 GLN A 28 -11.885 -0.572 13.755 1.00 0.00 O ATOM 399 NE2 GLN A 28 -10.419 -2.006 12.841 1.00 0.00 N ATOM 0 H GLN A 28 -7.334 2.024 11.806 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.786 2.001 14.645 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.631 1.635 13.126 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.780 0.343 12.302 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.808 -0.925 14.528 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -9.912 0.303 15.114 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.444 -2.281 12.723 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -11.159 -2.544 12.390 1.00 0.00 H new ATOM 408 N ARG A 29 -6.724 -0.109 15.493 1.00 0.00 N ATOM 409 CA ARG A 29 -5.897 -1.184 16.029 1.00 0.00 C ATOM 410 C ARG A 29 -6.559 -2.540 15.806 1.00 0.00 C ATOM 411 O ARG A 29 -7.754 -2.707 16.047 1.00 0.00 O ATOM 412 CB ARG A 29 -5.645 -0.966 17.522 1.00 0.00 C ATOM 413 CG ARG A 29 -4.316 -1.524 18.003 1.00 0.00 C ATOM 414 CD ARG A 29 -4.409 -3.014 18.292 1.00 0.00 C ATOM 415 NE ARG A 29 -5.372 -3.307 19.350 1.00 0.00 N ATOM 416 CZ ARG A 29 -5.406 -4.457 20.015 1.00 0.00 C ATOM 417 NH1 ARG A 29 -4.536 -5.416 19.732 1.00 0.00 N ATOM 418 NH2 ARG A 29 -6.313 -4.648 20.965 1.00 0.00 N ATOM 0 H ARG A 29 -7.316 0.352 16.183 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.943 -1.173 15.502 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -5.679 0.102 17.735 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.451 -1.431 18.090 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.551 -1.346 17.248 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.003 -0.996 18.904 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.697 -3.542 17.383 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.427 -3.389 18.581 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.056 -2.590 19.592 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.838 -5.272 19.002 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.564 -6.298 20.244 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.984 -3.912 21.185 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.339 -5.531 21.475 1.00 0.00 H new ATOM 432 N GLY A 30 -5.773 -3.508 15.344 1.00 0.00 N ATOM 433 CA GLY A 30 -6.300 -4.837 15.097 1.00 0.00 C ATOM 434 C GLY A 30 -6.746 -5.026 13.660 1.00 0.00 C ATOM 435 O GLY A 30 -7.880 -5.418 13.386 1.00 0.00 O ATOM 0 H GLY A 30 -4.781 -3.395 15.136 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.537 -5.578 15.338 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.143 -5.020 15.763 1.00 0.00 H new ATOM 439 N PRO A 31 -5.840 -4.740 12.713 1.00 0.00 N ATOM 440 CA PRO A 31 -6.124 -4.872 11.281 1.00 0.00 C ATOM 441 C PRO A 31 -6.261 -6.328 10.849 1.00 0.00 C ATOM 442 O PRO A 31 -5.305 -7.101 10.919 1.00 0.00 O ATOM 443 CB PRO A 31 -4.903 -4.230 10.617 1.00 0.00 C ATOM 444 CG PRO A 31 -3.810 -4.369 11.620 1.00 0.00 C ATOM 445 CD PRO A 31 -4.469 -4.268 12.967 1.00 0.00 C ATOM 0 HA PRO A 31 -7.070 -4.404 11.008 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -4.650 -4.733 9.683 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.088 -3.183 10.376 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.296 -5.324 11.508 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.061 -3.587 11.492 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.963 -4.885 13.709 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.460 -3.245 13.343 1.00 0.00 H new ATOM 453 N THR A 32 -7.457 -6.697 10.400 1.00 0.00 N ATOM 454 CA THR A 32 -7.720 -8.060 9.957 1.00 0.00 C ATOM 455 C THR A 32 -7.874 -8.126 8.442 1.00 0.00 C ATOM 456 O THR A 32 -8.575 -8.991 7.916 1.00 0.00 O ATOM 457 CB THR A 32 -8.990 -8.630 10.616 1.00 0.00 C ATOM 458 OG1 THR A 32 -9.201 -9.980 10.187 1.00 0.00 O ATOM 459 CG2 THR A 32 -10.206 -7.786 10.267 1.00 0.00 C ATOM 0 H THR A 32 -8.259 -6.070 10.334 1.00 0.00 H new ATOM 0 HA THR A 32 -6.862 -8.661 10.259 1.00 0.00 H new ATOM 0 HB THR A 32 -8.852 -8.610 11.697 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.198 -10.016 9.208 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.091 -8.208 10.744 1.00 0.00 H new ATOM 0 HG22 THR A 32 -10.055 -6.766 10.621 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.345 -7.778 9.186 1.00 0.00 H new ATOM 467 N TYR A 33 -7.216 -7.207 7.744 1.00 0.00 N ATOM 468 CA TYR A 33 -7.282 -7.159 6.288 1.00 0.00 C ATOM 469 C TYR A 33 -5.985 -6.610 5.702 1.00 0.00 C ATOM 470 O TYR A 33 -5.218 -5.933 6.386 1.00 0.00 O ATOM 471 CB TYR A 33 -8.463 -6.298 5.838 1.00 0.00 C ATOM 472 CG TYR A 33 -9.784 -7.034 5.835 1.00 0.00 C ATOM 473 CD1 TYR A 33 -10.424 -7.357 7.025 1.00 0.00 C ATOM 474 CD2 TYR A 33 -10.390 -7.409 4.642 1.00 0.00 C ATOM 475 CE1 TYR A 33 -11.631 -8.030 7.027 1.00 0.00 C ATOM 476 CE2 TYR A 33 -11.596 -8.081 4.635 1.00 0.00 C ATOM 477 CZ TYR A 33 -12.213 -8.390 5.829 1.00 0.00 C ATOM 478 OH TYR A 33 -13.414 -9.061 5.826 1.00 0.00 O ATOM 0 H TYR A 33 -6.630 -6.485 8.163 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.423 -8.176 5.922 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -8.541 -5.432 6.495 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -8.265 -5.921 4.835 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -9.971 -7.077 7.964 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -9.909 -7.171 3.705 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -12.116 -8.273 7.961 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -12.054 -8.363 3.699 1.00 0.00 H new ATOM 0 HH TYR A 33 -13.252 -10.022 5.929 1.00 0.00 H new ATOM 488 N VAL A 34 -5.747 -6.908 4.428 1.00 0.00 N ATOM 489 CA VAL A 34 -4.544 -6.444 3.747 1.00 0.00 C ATOM 490 C VAL A 34 -4.818 -6.173 2.272 1.00 0.00 C ATOM 491 O VAL A 34 -5.426 -6.991 1.583 1.00 0.00 O ATOM 492 CB VAL A 34 -3.401 -7.469 3.866 1.00 0.00 C ATOM 493 CG1 VAL A 34 -2.786 -7.424 5.256 1.00 0.00 C ATOM 494 CG2 VAL A 34 -3.904 -8.867 3.541 1.00 0.00 C ATOM 0 H VAL A 34 -6.371 -7.468 3.847 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.242 -5.517 4.234 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.627 -7.210 3.144 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.980 -8.155 5.321 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.388 -6.427 5.446 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.549 -7.657 5.999 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.083 -9.579 3.630 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.697 -9.139 4.237 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.292 -8.886 2.523 1.00 0.00 H new ATOM 504 N ASN A 35 -4.365 -5.019 1.794 1.00 0.00 N ATOM 505 CA ASN A 35 -4.561 -4.640 0.399 1.00 0.00 C ATOM 506 C ASN A 35 -3.495 -5.271 -0.492 1.00 0.00 C ATOM 507 O ASN A 35 -2.310 -4.956 -0.377 1.00 0.00 O ATOM 508 CB ASN A 35 -4.527 -3.117 0.253 1.00 0.00 C ATOM 509 CG ASN A 35 -5.044 -2.654 -1.095 1.00 0.00 C ATOM 510 OD1 ASN A 35 -4.821 -3.306 -2.115 1.00 0.00 O ATOM 511 ND2 ASN A 35 -5.738 -1.522 -1.105 1.00 0.00 N ATOM 0 H ASN A 35 -3.860 -4.330 2.351 1.00 0.00 H new ATOM 0 HA ASN A 35 -5.537 -5.007 0.083 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.126 -2.665 1.044 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.504 -2.765 0.387 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.111 -1.160 -1.983 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.898 -1.014 -0.235 1.00 0.00 H new ATOM 518 N MET A 36 -3.924 -6.162 -1.379 1.00 0.00 N ATOM 519 CA MET A 36 -3.006 -6.836 -2.290 1.00 0.00 C ATOM 520 C MET A 36 -2.577 -5.902 -3.418 1.00 0.00 C ATOM 521 O MET A 36 -1.510 -6.074 -4.009 1.00 0.00 O ATOM 522 CB MET A 36 -3.661 -8.089 -2.873 1.00 0.00 C ATOM 523 CG MET A 36 -3.573 -9.302 -1.960 1.00 0.00 C ATOM 524 SD MET A 36 -2.059 -10.249 -2.209 1.00 0.00 S ATOM 525 CE MET A 36 -1.171 -9.871 -0.700 1.00 0.00 C ATOM 0 H MET A 36 -4.901 -6.434 -1.487 1.00 0.00 H new ATOM 0 HA MET A 36 -2.120 -7.127 -1.725 1.00 0.00 H new ATOM 0 HB2 MET A 36 -4.710 -7.877 -3.082 1.00 0.00 H new ATOM 0 HB3 MET A 36 -3.188 -8.327 -3.826 1.00 0.00 H new ATOM 0 HG2 MET A 36 -3.626 -8.975 -0.922 1.00 0.00 H new ATOM 0 HG3 MET A 36 -4.434 -9.947 -2.135 1.00 0.00 H new ATOM 0 HE1 MET A 36 -0.100 -9.987 -0.869 1.00 0.00 H new ATOM 0 HE2 MET A 36 -1.382 -8.844 -0.401 1.00 0.00 H new ATOM 0 HE3 MET A 36 -1.489 -10.551 0.090 1.00 0.00 H new ATOM 535 N THR A 37 -3.414 -4.912 -3.712 1.00 0.00 N ATOM 536 CA THR A 37 -3.121 -3.952 -4.769 1.00 0.00 C ATOM 537 C THR A 37 -2.088 -2.928 -4.311 1.00 0.00 C ATOM 538 O THR A 37 -1.138 -2.625 -5.032 1.00 0.00 O ATOM 539 CB THR A 37 -4.393 -3.213 -5.225 1.00 0.00 C ATOM 540 OG1 THR A 37 -5.205 -4.082 -6.022 1.00 0.00 O ATOM 541 CG2 THR A 37 -4.039 -1.968 -6.023 1.00 0.00 C ATOM 0 H THR A 37 -4.300 -4.754 -3.233 1.00 0.00 H new ATOM 0 HA THR A 37 -2.719 -4.519 -5.608 1.00 0.00 H new ATOM 0 HB THR A 37 -4.948 -2.910 -4.337 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.013 -3.605 -6.307 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.953 -1.463 -6.334 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.446 -1.295 -5.404 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.464 -2.252 -6.904 1.00 0.00 H new ATOM 549 N VAL A 38 -2.281 -2.398 -3.108 1.00 0.00 N ATOM 550 CA VAL A 38 -1.365 -1.408 -2.553 1.00 0.00 C ATOM 551 C VAL A 38 -0.287 -2.073 -1.704 1.00 0.00 C ATOM 552 O VAL A 38 0.840 -1.587 -1.621 1.00 0.00 O ATOM 553 CB VAL A 38 -2.112 -0.370 -1.694 1.00 0.00 C ATOM 554 CG1 VAL A 38 -1.146 0.675 -1.159 1.00 0.00 C ATOM 555 CG2 VAL A 38 -3.226 0.283 -2.499 1.00 0.00 C ATOM 0 H VAL A 38 -3.063 -2.637 -2.499 1.00 0.00 H new ATOM 0 HA VAL A 38 -0.898 -0.901 -3.397 1.00 0.00 H new ATOM 0 HB VAL A 38 -2.561 -0.883 -0.843 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.692 1.400 -0.555 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.387 0.189 -0.546 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.665 1.187 -1.993 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.744 1.014 -1.878 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.801 0.783 -3.369 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.932 -0.479 -2.828 1.00 0.00 H new ATOM 565 N GLY A 39 -0.642 -3.188 -1.073 1.00 0.00 N ATOM 566 CA GLY A 39 0.306 -3.902 -0.238 1.00 0.00 C ATOM 567 C GLY A 39 0.336 -3.378 1.184 1.00 0.00 C ATOM 568 O GLY A 39 1.348 -3.496 1.875 1.00 0.00 O ATOM 0 H GLY A 39 -1.569 -3.610 -1.125 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.049 -4.961 -0.226 1.00 0.00 H new ATOM 0 HA3 GLY A 39 1.302 -3.820 -0.673 1.00 0.00 H new ATOM 572 N SER A 40 -0.775 -2.795 1.622 1.00 0.00 N ATOM 573 CA SER A 40 -0.871 -2.245 2.969 1.00 0.00 C ATOM 574 C SER A 40 -1.751 -3.123 3.854 1.00 0.00 C ATOM 575 O SER A 40 -2.334 -4.104 3.390 1.00 0.00 O ATOM 576 CB SER A 40 -1.431 -0.823 2.924 1.00 0.00 C ATOM 577 OG SER A 40 -2.803 -0.826 2.569 1.00 0.00 O ATOM 0 H SER A 40 -1.622 -2.691 1.063 1.00 0.00 H new ATOM 0 HA SER A 40 0.132 -2.219 3.396 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.305 -0.348 3.897 1.00 0.00 H new ATOM 0 HB3 SER A 40 -0.867 -0.229 2.204 1.00 0.00 H new ATOM 0 HG SER A 40 -3.138 0.095 2.549 1.00 0.00 H new ATOM 583 N PHE A 41 -1.843 -2.764 5.130 1.00 0.00 N ATOM 584 CA PHE A 41 -2.651 -3.518 6.080 1.00 0.00 C ATOM 585 C PHE A 41 -3.872 -2.714 6.515 1.00 0.00 C ATOM 586 O PHE A 41 -3.752 -1.724 7.238 1.00 0.00 O ATOM 587 CB PHE A 41 -1.814 -3.899 7.304 1.00 0.00 C ATOM 588 CG PHE A 41 -0.897 -5.064 7.064 1.00 0.00 C ATOM 589 CD1 PHE A 41 0.194 -4.942 6.219 1.00 0.00 C ATOM 590 CD2 PHE A 41 -1.127 -6.282 7.683 1.00 0.00 C ATOM 591 CE1 PHE A 41 1.040 -6.012 5.997 1.00 0.00 C ATOM 592 CE2 PHE A 41 -0.284 -7.356 7.465 1.00 0.00 C ATOM 593 CZ PHE A 41 0.800 -7.221 6.620 1.00 0.00 C ATOM 0 H PHE A 41 -1.368 -1.955 5.530 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.994 -4.427 5.586 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.221 -3.037 7.611 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.482 -4.137 8.131 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.386 -3.999 5.728 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.974 -6.394 8.343 1.00 0.00 H new ATOM 0 HE1 PHE A 41 1.888 -5.903 5.337 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.473 -8.300 7.955 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.459 -8.059 6.447 1.00 0.00 H new ATOM 603 N VAL A 42 -5.047 -3.145 6.070 1.00 0.00 N ATOM 604 CA VAL A 42 -6.291 -2.467 6.413 1.00 0.00 C ATOM 605 C VAL A 42 -7.165 -3.339 7.307 1.00 0.00 C ATOM 606 O VAL A 42 -6.772 -4.440 7.694 1.00 0.00 O ATOM 607 CB VAL A 42 -7.088 -2.084 5.151 1.00 0.00 C ATOM 608 CG1 VAL A 42 -6.293 -1.113 4.292 1.00 0.00 C ATOM 609 CG2 VAL A 42 -7.461 -3.328 4.359 1.00 0.00 C ATOM 0 H VAL A 42 -5.164 -3.962 5.470 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.018 -1.559 6.951 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.008 -1.588 5.460 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -6.872 -0.854 3.405 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.082 -0.210 4.864 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.355 -1.579 3.990 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -8.023 -3.039 3.471 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.555 -3.854 4.059 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.073 -3.984 4.978 1.00 0.00 H new ATOM 619 N CYS A 43 -8.353 -2.840 7.632 1.00 0.00 N ATOM 620 CA CYS A 43 -9.284 -3.573 8.481 1.00 0.00 C ATOM 621 C CYS A 43 -10.553 -3.934 7.713 1.00 0.00 C ATOM 622 O CYS A 43 -10.714 -3.564 6.549 1.00 0.00 O ATOM 623 CB CYS A 43 -9.642 -2.744 9.716 1.00 0.00 C ATOM 624 SG CYS A 43 -10.606 -1.243 9.351 1.00 0.00 S ATOM 0 H CYS A 43 -8.694 -1.931 7.320 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.797 -4.495 8.798 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -10.209 -3.368 10.407 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -8.723 -2.457 10.227 1.00 0.00 H new ATOM 629 N THR A 44 -11.452 -4.658 8.372 1.00 0.00 N ATOM 630 CA THR A 44 -12.705 -5.069 7.752 1.00 0.00 C ATOM 631 C THR A 44 -13.501 -3.863 7.268 1.00 0.00 C ATOM 632 O THR A 44 -14.144 -3.911 6.219 1.00 0.00 O ATOM 633 CB THR A 44 -13.574 -5.885 8.728 1.00 0.00 C ATOM 634 OG1 THR A 44 -12.739 -6.603 9.644 1.00 0.00 O ATOM 635 CG2 THR A 44 -14.465 -6.860 7.974 1.00 0.00 C ATOM 0 H THR A 44 -11.335 -4.972 9.335 1.00 0.00 H new ATOM 0 HA THR A 44 -12.444 -5.695 6.899 1.00 0.00 H new ATOM 0 HB THR A 44 -14.208 -5.193 9.282 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.299 -7.118 10.262 1.00 0.00 H new ATOM 0 HG21 THR A 44 -15.069 -7.425 8.684 1.00 0.00 H new ATOM 0 HG22 THR A 44 -15.119 -6.308 7.299 1.00 0.00 H new ATOM 0 HG23 THR A 44 -13.846 -7.547 7.397 1.00 0.00 H new ATOM 643 N SER A 45 -13.453 -2.780 8.038 1.00 0.00 N ATOM 644 CA SER A 45 -14.173 -1.561 7.689 1.00 0.00 C ATOM 645 C SER A 45 -13.636 -0.966 6.390 1.00 0.00 C ATOM 646 O SER A 45 -14.339 -0.914 5.380 1.00 0.00 O ATOM 647 CB SER A 45 -14.060 -0.535 8.818 1.00 0.00 C ATOM 648 OG SER A 45 -14.859 0.605 8.553 1.00 0.00 O ATOM 0 H SER A 45 -12.923 -2.722 8.908 1.00 0.00 H new ATOM 0 HA SER A 45 -15.223 -1.817 7.545 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.370 -0.989 9.759 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.019 -0.234 8.937 1.00 0.00 H new ATOM 0 HG SER A 45 -14.771 1.245 9.290 1.00 0.00 H new ATOM 654 N CYS A 46 -12.386 -0.519 6.425 1.00 0.00 N ATOM 655 CA CYS A 46 -11.752 0.073 5.253 1.00 0.00 C ATOM 656 C CYS A 46 -11.763 -0.901 4.078 1.00 0.00 C ATOM 657 O CYS A 46 -12.196 -0.558 2.978 1.00 0.00 O ATOM 658 CB CYS A 46 -10.314 0.483 5.577 1.00 0.00 C ATOM 659 SG CYS A 46 -10.173 1.690 6.933 1.00 0.00 S ATOM 0 H CYS A 46 -11.791 -0.555 7.253 1.00 0.00 H new ATOM 0 HA CYS A 46 -12.321 0.960 4.972 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -9.743 -0.408 5.838 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -9.857 0.904 4.681 1.00 0.00 H new ATOM 664 N SER A 47 -11.284 -2.117 4.321 1.00 0.00 N ATOM 665 CA SER A 47 -11.234 -3.140 3.283 1.00 0.00 C ATOM 666 C SER A 47 -12.512 -3.130 2.449 1.00 0.00 C ATOM 667 O SER A 47 -12.504 -3.500 1.276 1.00 0.00 O ATOM 668 CB SER A 47 -11.031 -4.521 3.909 1.00 0.00 C ATOM 669 OG SER A 47 -12.125 -4.873 4.737 1.00 0.00 O ATOM 0 H SER A 47 -10.925 -2.418 5.227 1.00 0.00 H new ATOM 0 HA SER A 47 -10.391 -2.918 2.628 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.912 -5.266 3.122 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.112 -4.526 4.495 1.00 0.00 H new ATOM 0 HG SER A 47 -12.145 -5.845 4.857 1.00 0.00 H new ATOM 675 N GLY A 48 -13.610 -2.704 3.066 1.00 0.00 N ATOM 676 CA GLY A 48 -14.881 -2.654 2.367 1.00 0.00 C ATOM 677 C GLY A 48 -15.056 -1.374 1.574 1.00 0.00 C ATOM 678 O GLY A 48 -15.689 -1.372 0.518 1.00 0.00 O ATOM 0 H GLY A 48 -13.642 -2.393 4.037 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -14.956 -3.508 1.694 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -15.693 -2.745 3.089 1.00 0.00 H new ATOM 682 N SER A 49 -14.496 -0.282 2.084 1.00 0.00 N ATOM 683 CA SER A 49 -14.597 1.011 1.418 1.00 0.00 C ATOM 684 C SER A 49 -13.719 1.051 0.171 1.00 0.00 C ATOM 685 O SER A 49 -14.160 1.472 -0.900 1.00 0.00 O ATOM 686 CB SER A 49 -14.195 2.135 2.375 1.00 0.00 C ATOM 687 OG SER A 49 -15.290 2.537 3.179 1.00 0.00 O ATOM 0 H SER A 49 -13.968 -0.267 2.956 1.00 0.00 H new ATOM 0 HA SER A 49 -15.634 1.155 1.115 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.376 1.799 3.012 1.00 0.00 H new ATOM 0 HB3 SER A 49 -13.826 2.988 1.805 1.00 0.00 H new ATOM 0 HG SER A 49 -15.006 3.255 3.783 1.00 0.00 H new ATOM 693 N LEU A 50 -12.474 0.611 0.318 1.00 0.00 N ATOM 694 CA LEU A 50 -11.532 0.596 -0.796 1.00 0.00 C ATOM 695 C LEU A 50 -12.162 -0.035 -2.033 1.00 0.00 C ATOM 696 O LEU A 50 -11.865 0.356 -3.162 1.00 0.00 O ATOM 697 CB LEU A 50 -10.266 -0.169 -0.408 1.00 0.00 C ATOM 698 CG LEU A 50 -9.217 0.623 0.374 1.00 0.00 C ATOM 699 CD1 LEU A 50 -8.406 -0.302 1.268 1.00 0.00 C ATOM 700 CD2 LEU A 50 -8.304 1.382 -0.578 1.00 0.00 C ATOM 0 H LEU A 50 -12.094 0.260 1.197 1.00 0.00 H new ATOM 0 HA LEU A 50 -11.268 1.627 -1.031 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.557 -1.035 0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.802 -0.549 -1.318 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.732 1.346 1.006 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.665 0.280 1.816 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.070 -0.801 1.974 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.901 -1.049 0.656 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.564 1.940 -0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.797 0.676 -1.236 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.897 2.074 -1.176 1.00 0.00 H new ATOM 712 N ARG A 51 -13.035 -1.013 -1.813 1.00 0.00 N ATOM 713 CA ARG A 51 -13.708 -1.698 -2.910 1.00 0.00 C ATOM 714 C ARG A 51 -14.630 -0.744 -3.663 1.00 0.00 C ATOM 715 O ARG A 51 -14.801 -0.858 -4.876 1.00 0.00 O ATOM 716 CB ARG A 51 -14.510 -2.888 -2.381 1.00 0.00 C ATOM 717 CG ARG A 51 -13.649 -4.081 -1.996 1.00 0.00 C ATOM 718 CD ARG A 51 -14.499 -5.261 -1.554 1.00 0.00 C ATOM 719 NE ARG A 51 -15.464 -5.656 -2.577 1.00 0.00 N ATOM 720 CZ ARG A 51 -16.178 -6.774 -2.522 1.00 0.00 C ATOM 721 NH1 ARG A 51 -16.037 -7.605 -1.498 1.00 0.00 N ATOM 722 NH2 ARG A 51 -17.036 -7.064 -3.491 1.00 0.00 N ATOM 0 H ARG A 51 -13.293 -1.349 -0.885 1.00 0.00 H new ATOM 0 HA ARG A 51 -12.946 -2.060 -3.600 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -15.085 -2.570 -1.511 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -15.227 -3.198 -3.141 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -13.031 -4.374 -2.845 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.971 -3.797 -1.191 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.852 -6.106 -1.321 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -15.029 -5.003 -0.637 1.00 0.00 H new ATOM 0 HE ARG A 51 -15.597 -5.039 -3.378 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -15.379 -7.386 -0.750 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -16.587 -8.463 -1.458 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -17.148 -6.428 -4.280 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -17.584 -7.923 -3.447 1.00 0.00 H new ATOM 736 N GLY A 52 -15.222 0.198 -2.934 1.00 0.00 N ATOM 737 CA GLY A 52 -16.119 1.158 -3.550 1.00 0.00 C ATOM 738 C GLY A 52 -15.434 1.994 -4.612 1.00 0.00 C ATOM 739 O GLY A 52 -16.061 2.409 -5.587 1.00 0.00 O ATOM 0 H GLY A 52 -15.096 0.313 -1.928 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -16.961 0.629 -3.996 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -16.526 1.815 -2.781 1.00 0.00 H new ATOM 743 N LEU A 53 -14.143 2.245 -4.423 1.00 0.00 N ATOM 744 CA LEU A 53 -13.371 3.039 -5.372 1.00 0.00 C ATOM 745 C LEU A 53 -13.409 2.415 -6.763 1.00 0.00 C ATOM 746 O LEU A 53 -13.898 1.300 -6.941 1.00 0.00 O ATOM 747 CB LEU A 53 -11.922 3.170 -4.899 1.00 0.00 C ATOM 748 CG LEU A 53 -11.727 3.634 -3.455 1.00 0.00 C ATOM 749 CD1 LEU A 53 -10.263 3.537 -3.056 1.00 0.00 C ATOM 750 CD2 LEU A 53 -12.237 5.057 -3.278 1.00 0.00 C ATOM 0 H LEU A 53 -13.609 1.910 -3.621 1.00 0.00 H new ATOM 0 HA LEU A 53 -13.820 4.031 -5.427 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.433 2.203 -5.018 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -11.408 3.870 -5.557 1.00 0.00 H new ATOM 0 HG LEU A 53 -12.304 2.979 -2.802 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.144 3.871 -2.025 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.930 2.503 -3.143 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.664 4.167 -3.713 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -12.090 5.370 -2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -11.688 5.725 -3.941 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -13.299 5.096 -3.521 1.00 0.00 H new ATOM 762 N ASN A 54 -12.887 3.140 -7.747 1.00 0.00 N ATOM 763 CA ASN A 54 -12.859 2.656 -9.122 1.00 0.00 C ATOM 764 C ASN A 54 -11.521 2.972 -9.784 1.00 0.00 C ATOM 765 O ASN A 54 -11.118 4.129 -9.904 1.00 0.00 O ATOM 766 CB ASN A 54 -14.000 3.282 -9.928 1.00 0.00 C ATOM 767 CG ASN A 54 -14.322 2.493 -11.182 1.00 0.00 C ATOM 768 OD1 ASN A 54 -14.232 1.265 -11.197 1.00 0.00 O ATOM 769 ND2 ASN A 54 -14.700 3.197 -12.243 1.00 0.00 N ATOM 0 H ASN A 54 -12.478 4.065 -7.617 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.987 1.574 -9.102 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.891 3.345 -9.303 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -13.730 4.302 -10.203 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.930 2.721 -13.115 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.761 4.214 -12.185 1.00 0.00 H new ATOM 776 N PRO A 55 -10.816 1.920 -10.225 1.00 0.00 N ATOM 777 CA PRO A 55 -11.286 0.538 -10.087 1.00 0.00 C ATOM 778 C PRO A 55 -11.274 0.064 -8.638 1.00 0.00 C ATOM 779 O PRO A 55 -10.555 0.595 -7.791 1.00 0.00 O ATOM 780 CB PRO A 55 -10.282 -0.262 -10.920 1.00 0.00 C ATOM 781 CG PRO A 55 -9.044 0.567 -10.922 1.00 0.00 C ATOM 782 CD PRO A 55 -9.505 1.998 -10.891 1.00 0.00 C ATOM 0 HA PRO A 55 -12.319 0.424 -10.414 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -10.100 -1.244 -10.484 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -10.650 -0.426 -11.933 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.420 0.339 -10.058 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.443 0.369 -11.810 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.811 2.632 -10.339 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.588 2.415 -11.895 1.00 0.00 H new ATOM 790 N PRO A 56 -12.088 -0.961 -8.343 1.00 0.00 N ATOM 791 CA PRO A 56 -12.189 -1.530 -6.996 1.00 0.00 C ATOM 792 C PRO A 56 -10.929 -2.288 -6.592 1.00 0.00 C ATOM 793 O PRO A 56 -10.541 -3.260 -7.241 1.00 0.00 O ATOM 794 CB PRO A 56 -13.377 -2.488 -7.104 1.00 0.00 C ATOM 795 CG PRO A 56 -13.438 -2.856 -8.546 1.00 0.00 C ATOM 796 CD PRO A 56 -12.973 -1.642 -9.303 1.00 0.00 C ATOM 0 HA PRO A 56 -12.314 -0.759 -6.236 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -13.234 -3.368 -6.477 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.301 -2.011 -6.778 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.801 -3.715 -8.757 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -14.452 -3.132 -8.836 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -12.442 -1.916 -10.215 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -13.809 -1.008 -9.599 1.00 0.00 H new ATOM 804 N HIS A 57 -10.293 -1.837 -5.515 1.00 0.00 N ATOM 805 CA HIS A 57 -9.076 -2.474 -5.023 1.00 0.00 C ATOM 806 C HIS A 57 -9.355 -3.906 -4.577 1.00 0.00 C ATOM 807 O HIS A 57 -10.493 -4.373 -4.631 1.00 0.00 O ATOM 808 CB HIS A 57 -8.488 -1.671 -3.862 1.00 0.00 C ATOM 809 CG HIS A 57 -7.862 -0.378 -4.285 1.00 0.00 C ATOM 810 ND1 HIS A 57 -6.931 0.293 -3.520 1.00 0.00 N ATOM 811 CD2 HIS A 57 -8.037 0.368 -5.401 1.00 0.00 C ATOM 812 CE1 HIS A 57 -6.561 1.395 -4.147 1.00 0.00 C ATOM 813 NE2 HIS A 57 -7.218 1.464 -5.291 1.00 0.00 N ATOM 0 H HIS A 57 -10.600 -1.034 -4.967 1.00 0.00 H new ATOM 0 HA HIS A 57 -8.354 -2.500 -5.839 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -9.276 -1.464 -3.138 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.739 -2.278 -3.353 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -8.698 0.143 -6.225 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -5.843 2.117 -3.786 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -7.131 2.211 -5.981 1.00 0.00 H new ATOM 821 N ARG A 58 -8.308 -4.598 -4.138 1.00 0.00 N ATOM 822 CA ARG A 58 -8.441 -5.977 -3.684 1.00 0.00 C ATOM 823 C ARG A 58 -8.013 -6.114 -2.226 1.00 0.00 C ATOM 824 O ARG A 58 -6.918 -5.698 -1.847 1.00 0.00 O ATOM 825 CB ARG A 58 -7.601 -6.908 -4.562 1.00 0.00 C ATOM 826 CG ARG A 58 -8.153 -8.321 -4.654 1.00 0.00 C ATOM 827 CD ARG A 58 -7.367 -9.163 -5.647 1.00 0.00 C ATOM 828 NE ARG A 58 -7.502 -8.665 -7.013 1.00 0.00 N ATOM 829 CZ ARG A 58 -7.228 -9.393 -8.090 1.00 0.00 C ATOM 830 NH1 ARG A 58 -6.807 -10.643 -7.961 1.00 0.00 N ATOM 831 NH2 ARG A 58 -7.376 -8.870 -9.301 1.00 0.00 N ATOM 0 H ARG A 58 -7.359 -4.226 -4.087 1.00 0.00 H new ATOM 0 HA ARG A 58 -9.491 -6.260 -3.765 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -7.536 -6.487 -5.565 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.586 -6.949 -4.167 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.120 -8.790 -3.671 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -9.200 -8.285 -4.955 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.314 -9.168 -5.365 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.714 -10.195 -5.601 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.824 -7.707 -7.148 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.692 -11.049 -7.032 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.598 -11.199 -8.790 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.700 -7.909 -9.405 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.165 -9.430 -10.127 1.00 0.00 H new ATOM 845 N VAL A 59 -8.886 -6.699 -1.411 1.00 0.00 N ATOM 846 CA VAL A 59 -8.599 -6.891 0.005 1.00 0.00 C ATOM 847 C VAL A 59 -8.955 -8.304 0.451 1.00 0.00 C ATOM 848 O VAL A 59 -9.811 -8.959 -0.145 1.00 0.00 O ATOM 849 CB VAL A 59 -9.370 -5.880 0.876 1.00 0.00 C ATOM 850 CG1 VAL A 59 -8.658 -4.536 0.891 1.00 0.00 C ATOM 851 CG2 VAL A 59 -10.799 -5.730 0.377 1.00 0.00 C ATOM 0 H VAL A 59 -9.797 -7.048 -1.708 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.529 -6.731 0.136 1.00 0.00 H new ATOM 0 HB VAL A 59 -9.403 -6.257 1.898 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -9.217 -3.835 1.511 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -7.655 -4.660 1.298 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -8.591 -4.148 -0.125 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -11.330 -5.013 1.003 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -10.789 -5.375 -0.653 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -11.304 -6.695 0.423 1.00 0.00 H new ATOM 861 N LYS A 60 -8.293 -8.771 1.505 1.00 0.00 N ATOM 862 CA LYS A 60 -8.539 -10.107 2.034 1.00 0.00 C ATOM 863 C LYS A 60 -8.317 -10.144 3.542 1.00 0.00 C ATOM 864 O LYS A 60 -7.534 -9.364 4.084 1.00 0.00 O ATOM 865 CB LYS A 60 -7.625 -11.126 1.348 1.00 0.00 C ATOM 866 CG LYS A 60 -7.972 -11.368 -0.111 1.00 0.00 C ATOM 867 CD LYS A 60 -6.902 -12.192 -0.808 1.00 0.00 C ATOM 868 CE LYS A 60 -6.924 -13.640 -0.345 1.00 0.00 C ATOM 869 NZ LYS A 60 -5.749 -14.402 -0.851 1.00 0.00 N ATOM 0 H LYS A 60 -7.581 -8.243 2.010 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.578 -10.365 1.831 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.594 -10.780 1.415 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.679 -12.072 1.888 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -8.930 -11.883 -0.178 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -8.087 -10.412 -0.622 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -7.055 -12.151 -1.886 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.921 -11.760 -0.609 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.936 -13.673 0.744 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.842 -14.117 -0.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -5.801 -15.384 -0.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.751 -14.393 -1.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.874 -13.962 -0.502 1.00 0.00 H new ATOM 883 N SER A 61 -9.011 -11.056 4.216 1.00 0.00 N ATOM 884 CA SER A 61 -8.891 -11.193 5.663 1.00 0.00 C ATOM 885 C SER A 61 -7.590 -11.897 6.036 1.00 0.00 C ATOM 886 O SER A 61 -7.186 -12.863 5.388 1.00 0.00 O ATOM 887 CB SER A 61 -10.084 -11.971 6.223 1.00 0.00 C ATOM 888 OG SER A 61 -11.271 -11.200 6.159 1.00 0.00 O ATOM 0 H SER A 61 -9.662 -11.711 3.783 1.00 0.00 H new ATOM 0 HA SER A 61 -8.881 -10.194 6.098 1.00 0.00 H new ATOM 0 HB2 SER A 61 -10.216 -12.895 5.660 1.00 0.00 H new ATOM 0 HB3 SER A 61 -9.885 -12.253 7.257 1.00 0.00 H new ATOM 0 HG SER A 61 -11.043 -10.247 6.178 1.00 0.00 H new ATOM 894 N ILE A 62 -6.939 -11.405 7.084 1.00 0.00 N ATOM 895 CA ILE A 62 -5.684 -11.986 7.545 1.00 0.00 C ATOM 896 C ILE A 62 -5.933 -13.228 8.395 1.00 0.00 C ATOM 897 O ILE A 62 -5.100 -14.133 8.449 1.00 0.00 O ATOM 898 CB ILE A 62 -4.861 -10.974 8.363 1.00 0.00 C ATOM 899 CG1 ILE A 62 -4.653 -9.687 7.563 1.00 0.00 C ATOM 900 CG2 ILE A 62 -3.523 -11.578 8.763 1.00 0.00 C ATOM 901 CD1 ILE A 62 -4.453 -8.462 8.428 1.00 0.00 C ATOM 0 H ILE A 62 -7.260 -10.605 7.630 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.120 -12.265 6.655 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.413 -10.730 9.271 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.786 -9.809 6.914 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.516 -9.528 6.916 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -2.953 -10.850 9.341 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.692 -12.469 9.368 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -2.964 -11.848 7.867 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.312 -7.587 7.793 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -5.330 -8.315 9.059 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.573 -8.600 9.056 1.00 0.00 H new ATOM 913 N SER A 63 -7.085 -13.264 9.057 1.00 0.00 N ATOM 914 CA SER A 63 -7.443 -14.394 9.907 1.00 0.00 C ATOM 915 C SER A 63 -8.477 -15.282 9.222 1.00 0.00 C ATOM 916 O SER A 63 -8.270 -16.485 9.063 1.00 0.00 O ATOM 917 CB SER A 63 -7.988 -13.898 11.247 1.00 0.00 C ATOM 918 OG SER A 63 -8.706 -14.921 11.916 1.00 0.00 O ATOM 0 H SER A 63 -7.786 -12.524 9.021 1.00 0.00 H new ATOM 0 HA SER A 63 -6.543 -14.983 10.084 1.00 0.00 H new ATOM 0 HB2 SER A 63 -7.164 -13.558 11.875 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.640 -13.040 11.083 1.00 0.00 H new ATOM 0 HG SER A 63 -9.043 -14.579 12.770 1.00 0.00 H new ATOM 924 N MET A 64 -9.591 -14.680 8.818 1.00 0.00 N ATOM 925 CA MET A 64 -10.658 -15.416 8.149 1.00 0.00 C ATOM 926 C MET A 64 -10.145 -16.076 6.873 1.00 0.00 C ATOM 927 O MET A 64 -10.581 -17.168 6.508 1.00 0.00 O ATOM 928 CB MET A 64 -11.823 -14.480 7.820 1.00 0.00 C ATOM 929 CG MET A 64 -12.949 -15.158 7.056 1.00 0.00 C ATOM 930 SD MET A 64 -14.556 -14.407 7.378 1.00 0.00 S ATOM 931 CE MET A 64 -14.717 -13.330 5.955 1.00 0.00 C ATOM 0 H MET A 64 -9.778 -13.685 8.942 1.00 0.00 H new ATOM 0 HA MET A 64 -11.008 -16.196 8.825 1.00 0.00 H new ATOM 0 HB2 MET A 64 -12.221 -14.068 8.747 1.00 0.00 H new ATOM 0 HB3 MET A 64 -11.450 -13.641 7.233 1.00 0.00 H new ATOM 0 HG2 MET A 64 -12.738 -15.111 5.988 1.00 0.00 H new ATOM 0 HG3 MET A 64 -12.984 -16.213 7.328 1.00 0.00 H new ATOM 0 HE1 MET A 64 -15.665 -12.794 6.010 1.00 0.00 H new ATOM 0 HE2 MET A 64 -13.895 -12.614 5.946 1.00 0.00 H new ATOM 0 HE3 MET A 64 -14.689 -13.926 5.043 1.00 0.00 H new ATOM 941 N THR A 65 -9.215 -15.407 6.198 1.00 0.00 N ATOM 942 CA THR A 65 -8.645 -15.928 4.962 1.00 0.00 C ATOM 943 C THR A 65 -7.144 -16.157 5.103 1.00 0.00 C ATOM 944 O THR A 65 -6.431 -15.336 5.682 1.00 0.00 O ATOM 945 CB THR A 65 -8.897 -14.973 3.780 1.00 0.00 C ATOM 946 OG1 THR A 65 -10.305 -14.789 3.591 1.00 0.00 O ATOM 947 CG2 THR A 65 -8.277 -15.517 2.502 1.00 0.00 C ATOM 0 H THR A 65 -8.841 -14.503 6.487 1.00 0.00 H new ATOM 0 HA THR A 65 -9.139 -16.879 4.763 1.00 0.00 H new ATOM 0 HB THR A 65 -8.432 -14.014 4.011 1.00 0.00 H new ATOM 0 HG1 THR A 65 -10.457 -14.179 2.839 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.468 -14.825 1.682 1.00 0.00 H new ATOM 0 HG22 THR A 65 -7.201 -15.629 2.639 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.716 -16.487 2.269 1.00 0.00 H new ATOM 955 N THR A 66 -6.669 -17.278 4.570 1.00 0.00 N ATOM 956 CA THR A 66 -5.253 -17.616 4.637 1.00 0.00 C ATOM 957 C THR A 66 -4.470 -16.927 3.525 1.00 0.00 C ATOM 958 O THR A 66 -5.028 -16.153 2.748 1.00 0.00 O ATOM 959 CB THR A 66 -5.032 -19.137 4.538 1.00 0.00 C ATOM 960 OG1 THR A 66 -3.633 -19.435 4.600 1.00 0.00 O ATOM 961 CG2 THR A 66 -5.616 -19.685 3.245 1.00 0.00 C ATOM 0 H THR A 66 -7.245 -17.968 4.087 1.00 0.00 H new ATOM 0 HA THR A 66 -4.891 -17.266 5.604 1.00 0.00 H new ATOM 0 HB THR A 66 -5.540 -19.611 5.378 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.350 -19.853 3.760 1.00 0.00 H new ATOM 0 HG21 THR A 66 -5.448 -20.761 3.197 1.00 0.00 H new ATOM 0 HG22 THR A 66 -6.687 -19.483 3.215 1.00 0.00 H new ATOM 0 HG23 THR A 66 -5.132 -19.204 2.395 1.00 0.00 H new ATOM 969 N PHE A 67 -3.174 -17.215 3.455 1.00 0.00 N ATOM 970 CA PHE A 67 -2.314 -16.622 2.437 1.00 0.00 C ATOM 971 C PHE A 67 -1.261 -17.621 1.966 1.00 0.00 C ATOM 972 O PHE A 67 -1.246 -18.775 2.396 1.00 0.00 O ATOM 973 CB PHE A 67 -1.634 -15.365 2.982 1.00 0.00 C ATOM 974 CG PHE A 67 -2.528 -14.158 2.997 1.00 0.00 C ATOM 975 CD1 PHE A 67 -3.503 -14.013 3.971 1.00 0.00 C ATOM 976 CD2 PHE A 67 -2.394 -13.169 2.036 1.00 0.00 C ATOM 977 CE1 PHE A 67 -4.327 -12.904 3.988 1.00 0.00 C ATOM 978 CE2 PHE A 67 -3.215 -12.057 2.048 1.00 0.00 C ATOM 979 CZ PHE A 67 -4.184 -11.925 3.024 1.00 0.00 C ATOM 0 H PHE A 67 -2.697 -17.855 4.090 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.937 -16.349 1.585 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -1.285 -15.561 3.996 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -0.753 -15.147 2.378 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.620 -14.776 4.726 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.640 -13.268 1.269 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -5.082 -12.803 4.754 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.099 -11.292 1.295 1.00 0.00 H new ATOM 0 HZ PHE A 67 -4.828 -11.058 3.033 1.00 0.00 H new ATOM 989 N THR A 68 -0.380 -17.169 1.079 1.00 0.00 N ATOM 990 CA THR A 68 0.677 -18.021 0.549 1.00 0.00 C ATOM 991 C THR A 68 2.020 -17.301 0.557 1.00 0.00 C ATOM 992 O THR A 68 2.092 -16.100 0.300 1.00 0.00 O ATOM 993 CB THR A 68 0.361 -18.478 -0.888 1.00 0.00 C ATOM 994 OG1 THR A 68 1.507 -19.117 -1.462 1.00 0.00 O ATOM 995 CG2 THR A 68 -0.055 -17.298 -1.753 1.00 0.00 C ATOM 0 H THR A 68 -0.378 -16.217 0.713 1.00 0.00 H new ATOM 0 HA THR A 68 0.733 -18.895 1.197 1.00 0.00 H new ATOM 0 HB THR A 68 -0.467 -19.186 -0.846 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.298 -19.406 -2.375 1.00 0.00 H new ATOM 0 HG21 THR A 68 -0.273 -17.646 -2.763 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.945 -16.832 -1.330 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.754 -16.569 -1.787 1.00 0.00 H new ATOM 1003 N GLN A 69 3.083 -18.044 0.852 1.00 0.00 N ATOM 1004 CA GLN A 69 4.424 -17.474 0.892 1.00 0.00 C ATOM 1005 C GLN A 69 4.581 -16.375 -0.153 1.00 0.00 C ATOM 1006 O GLN A 69 5.044 -15.277 0.154 1.00 0.00 O ATOM 1007 CB GLN A 69 5.471 -18.566 0.663 1.00 0.00 C ATOM 1008 CG GLN A 69 6.882 -18.144 1.040 1.00 0.00 C ATOM 1009 CD GLN A 69 7.647 -17.553 -0.128 1.00 0.00 C ATOM 1010 OE1 GLN A 69 8.425 -18.242 -0.787 1.00 0.00 O ATOM 1011 NE2 GLN A 69 7.428 -16.270 -0.390 1.00 0.00 N ATOM 0 H GLN A 69 3.041 -19.040 1.066 1.00 0.00 H new ATOM 0 HA GLN A 69 4.576 -17.035 1.878 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.197 -19.448 1.243 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.456 -18.858 -0.387 1.00 0.00 H new ATOM 0 HG2 GLN A 69 6.835 -17.412 1.846 1.00 0.00 H new ATOM 0 HG3 GLN A 69 7.425 -19.007 1.425 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.774 -15.737 0.183 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.914 -15.817 -1.164 1.00 0.00 H new ATOM 1020 N GLN A 70 4.193 -16.679 -1.387 1.00 0.00 N ATOM 1021 CA GLN A 70 4.293 -15.716 -2.478 1.00 0.00 C ATOM 1022 C GLN A 70 3.662 -14.383 -2.086 1.00 0.00 C ATOM 1023 O GLN A 70 4.243 -13.322 -2.312 1.00 0.00 O ATOM 1024 CB GLN A 70 3.614 -16.265 -3.734 1.00 0.00 C ATOM 1025 CG GLN A 70 4.266 -17.527 -4.275 1.00 0.00 C ATOM 1026 CD GLN A 70 5.680 -17.288 -4.768 1.00 0.00 C ATOM 1027 OE1 GLN A 70 5.923 -16.403 -5.588 1.00 0.00 O ATOM 1028 NE2 GLN A 70 6.623 -18.079 -4.268 1.00 0.00 N ATOM 0 H GLN A 70 3.807 -17.584 -1.657 1.00 0.00 H new ATOM 0 HA GLN A 70 5.350 -15.550 -2.688 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.568 -16.474 -3.510 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.627 -15.498 -4.509 1.00 0.00 H new ATOM 0 HG2 GLN A 70 4.281 -18.287 -3.494 1.00 0.00 H new ATOM 0 HG3 GLN A 70 3.662 -17.922 -5.092 1.00 0.00 H new ATOM 0 HE21 GLN A 70 6.377 -18.800 -3.590 1.00 0.00 H new ATOM 0 HE22 GLN A 70 7.593 -17.965 -4.562 1.00 0.00 H new ATOM 1037 N GLU A 71 2.472 -14.448 -1.498 1.00 0.00 N ATOM 1038 CA GLU A 71 1.763 -13.245 -1.076 1.00 0.00 C ATOM 1039 C GLU A 71 2.526 -12.524 0.031 1.00 0.00 C ATOM 1040 O GLU A 71 2.935 -11.373 -0.131 1.00 0.00 O ATOM 1041 CB GLU A 71 0.355 -13.599 -0.594 1.00 0.00 C ATOM 1042 CG GLU A 71 -0.540 -14.160 -1.686 1.00 0.00 C ATOM 1043 CD GLU A 71 -1.009 -13.096 -2.659 1.00 0.00 C ATOM 1044 OE1 GLU A 71 -0.158 -12.333 -3.161 1.00 0.00 O ATOM 1045 OE2 GLU A 71 -2.229 -13.026 -2.918 1.00 0.00 O ATOM 0 H GLU A 71 1.979 -15.319 -1.303 1.00 0.00 H new ATOM 0 HA GLU A 71 1.688 -12.578 -1.935 1.00 0.00 H new ATOM 0 HB2 GLU A 71 0.429 -14.328 0.213 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -0.112 -12.707 -0.176 1.00 0.00 H new ATOM 0 HG2 GLU A 71 0.000 -14.934 -2.232 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -1.407 -14.638 -1.230 1.00 0.00 H new ATOM 1052 N ILE A 72 2.713 -13.208 1.155 1.00 0.00 N ATOM 1053 CA ILE A 72 3.427 -12.633 2.288 1.00 0.00 C ATOM 1054 C ILE A 72 4.572 -11.741 1.821 1.00 0.00 C ATOM 1055 O ILE A 72 4.567 -10.533 2.058 1.00 0.00 O ATOM 1056 CB ILE A 72 3.989 -13.728 3.213 1.00 0.00 C ATOM 1057 CG1 ILE A 72 2.878 -14.300 4.097 1.00 0.00 C ATOM 1058 CG2 ILE A 72 5.119 -13.172 4.067 1.00 0.00 C ATOM 1059 CD1 ILE A 72 1.653 -14.733 3.322 1.00 0.00 C ATOM 0 H ILE A 72 2.380 -14.160 1.305 1.00 0.00 H new ATOM 0 HA ILE A 72 2.706 -12.033 2.844 1.00 0.00 H new ATOM 0 HB ILE A 72 4.388 -14.533 2.597 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.268 -15.154 4.651 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.587 -13.550 4.832 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.506 -13.958 4.715 1.00 0.00 H new ATOM 0 HG22 ILE A 72 5.918 -12.809 3.421 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.744 -12.350 4.677 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.907 -15.128 4.012 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.238 -13.877 2.790 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.930 -15.506 2.606 1.00 0.00 H new ATOM 1071 N GLU A 73 5.553 -12.344 1.156 1.00 0.00 N ATOM 1072 CA GLU A 73 6.704 -11.603 0.656 1.00 0.00 C ATOM 1073 C GLU A 73 6.263 -10.327 -0.056 1.00 0.00 C ATOM 1074 O GLU A 73 6.741 -9.235 0.252 1.00 0.00 O ATOM 1075 CB GLU A 73 7.524 -12.475 -0.299 1.00 0.00 C ATOM 1076 CG GLU A 73 8.428 -13.470 0.410 1.00 0.00 C ATOM 1077 CD GLU A 73 7.858 -13.933 1.737 1.00 0.00 C ATOM 1078 OE1 GLU A 73 6.924 -14.762 1.724 1.00 0.00 O ATOM 1079 OE2 GLU A 73 8.346 -13.467 2.788 1.00 0.00 O ATOM 0 H GLU A 73 5.573 -13.343 0.952 1.00 0.00 H new ATOM 0 HA GLU A 73 7.324 -11.327 1.509 1.00 0.00 H new ATOM 0 HB2 GLU A 73 6.844 -13.018 -0.956 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.133 -11.831 -0.933 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.587 -14.335 -0.235 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.404 -13.014 0.577 1.00 0.00 H new ATOM 1086 N PHE A 74 5.348 -10.474 -1.008 1.00 0.00 N ATOM 1087 CA PHE A 74 4.842 -9.335 -1.765 1.00 0.00 C ATOM 1088 C PHE A 74 4.378 -8.223 -0.828 1.00 0.00 C ATOM 1089 O PHE A 74 4.381 -7.047 -1.193 1.00 0.00 O ATOM 1090 CB PHE A 74 3.689 -9.769 -2.671 1.00 0.00 C ATOM 1091 CG PHE A 74 2.863 -8.623 -3.181 1.00 0.00 C ATOM 1092 CD1 PHE A 74 1.809 -8.124 -2.433 1.00 0.00 C ATOM 1093 CD2 PHE A 74 3.142 -8.043 -4.408 1.00 0.00 C ATOM 1094 CE1 PHE A 74 1.047 -7.070 -2.900 1.00 0.00 C ATOM 1095 CE2 PHE A 74 2.383 -6.988 -4.881 1.00 0.00 C ATOM 1096 CZ PHE A 74 1.335 -6.500 -4.125 1.00 0.00 C ATOM 0 H PHE A 74 4.942 -11.371 -1.274 1.00 0.00 H new ATOM 0 HA PHE A 74 5.654 -8.951 -2.382 1.00 0.00 H new ATOM 0 HB2 PHE A 74 4.092 -10.321 -3.520 1.00 0.00 H new ATOM 0 HB3 PHE A 74 3.044 -10.455 -2.122 1.00 0.00 H new ATOM 0 HD1 PHE A 74 1.580 -8.564 -1.474 1.00 0.00 H new ATOM 0 HD2 PHE A 74 3.962 -8.419 -5.002 1.00 0.00 H new ATOM 0 HE1 PHE A 74 0.227 -6.692 -2.308 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.609 -6.546 -5.840 1.00 0.00 H new ATOM 0 HZ PHE A 74 0.742 -5.675 -4.491 1.00 0.00 H new ATOM 1106 N LEU A 75 3.978 -8.604 0.380 1.00 0.00 N ATOM 1107 CA LEU A 75 3.509 -7.641 1.370 1.00 0.00 C ATOM 1108 C LEU A 75 4.671 -7.104 2.200 1.00 0.00 C ATOM 1109 O LEU A 75 4.841 -5.893 2.334 1.00 0.00 O ATOM 1110 CB LEU A 75 2.468 -8.287 2.286 1.00 0.00 C ATOM 1111 CG LEU A 75 1.046 -8.371 1.732 1.00 0.00 C ATOM 1112 CD1 LEU A 75 0.208 -9.336 2.556 1.00 0.00 C ATOM 1113 CD2 LEU A 75 0.402 -6.992 1.706 1.00 0.00 C ATOM 0 H LEU A 75 3.969 -9.573 0.698 1.00 0.00 H new ATOM 0 HA LEU A 75 3.049 -6.807 0.840 1.00 0.00 H new ATOM 0 HB2 LEU A 75 2.802 -9.296 2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.440 -7.728 3.221 1.00 0.00 H new ATOM 0 HG LEU A 75 1.096 -8.747 0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -0.801 -9.383 2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.659 -10.328 2.524 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.165 -8.990 3.589 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.610 -7.070 1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.364 -6.589 2.718 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.990 -6.328 1.073 1.00 0.00 H new ATOM 1125 N GLN A 76 5.467 -8.014 2.751 1.00 0.00 N ATOM 1126 CA GLN A 76 6.614 -7.630 3.567 1.00 0.00 C ATOM 1127 C GLN A 76 7.521 -6.665 2.811 1.00 0.00 C ATOM 1128 O GLN A 76 7.896 -5.613 3.330 1.00 0.00 O ATOM 1129 CB GLN A 76 7.406 -8.870 3.985 1.00 0.00 C ATOM 1130 CG GLN A 76 6.678 -9.746 4.993 1.00 0.00 C ATOM 1131 CD GLN A 76 7.626 -10.499 5.905 1.00 0.00 C ATOM 1132 OE1 GLN A 76 8.716 -10.019 6.219 1.00 0.00 O ATOM 1133 NE2 GLN A 76 7.216 -11.686 6.336 1.00 0.00 N ATOM 0 H GLN A 76 5.340 -9.021 2.648 1.00 0.00 H new ATOM 0 HA GLN A 76 6.241 -7.127 4.459 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.633 -9.462 3.098 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.359 -8.556 4.411 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.016 -9.125 5.597 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.049 -10.459 4.461 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.305 -12.045 6.051 1.00 0.00 H new ATOM 0 HE22 GLN A 76 7.812 -12.239 6.952 1.00 0.00 H new ATOM 1142 N LYS A 77 7.870 -7.028 1.581 1.00 0.00 N ATOM 1143 CA LYS A 77 8.732 -6.194 0.753 1.00 0.00 C ATOM 1144 C LYS A 77 8.190 -4.771 0.663 1.00 0.00 C ATOM 1145 O LYS A 77 8.946 -3.819 0.466 1.00 0.00 O ATOM 1146 CB LYS A 77 8.859 -6.792 -0.650 1.00 0.00 C ATOM 1147 CG LYS A 77 7.674 -6.488 -1.551 1.00 0.00 C ATOM 1148 CD LYS A 77 7.753 -7.260 -2.857 1.00 0.00 C ATOM 1149 CE LYS A 77 8.617 -6.538 -3.880 1.00 0.00 C ATOM 1150 NZ LYS A 77 8.968 -7.418 -5.029 1.00 0.00 N ATOM 0 H LYS A 77 7.569 -7.895 1.136 1.00 0.00 H new ATOM 0 HA LYS A 77 9.717 -6.160 1.218 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.767 -6.411 -1.117 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.973 -7.873 -0.566 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.748 -6.741 -1.034 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.640 -5.419 -1.761 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.162 -8.253 -2.670 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.750 -7.399 -3.260 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.088 -5.657 -4.245 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.530 -6.186 -3.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.557 -6.890 -5.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.495 -8.246 -4.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.098 -7.734 -5.503 1.00 0.00 H new ATOM 1164 N HIS A 78 6.876 -4.633 0.809 1.00 0.00 N ATOM 1165 CA HIS A 78 6.233 -3.325 0.747 1.00 0.00 C ATOM 1166 C HIS A 78 5.911 -2.811 2.147 1.00 0.00 C ATOM 1167 O HIS A 78 6.591 -1.927 2.665 1.00 0.00 O ATOM 1168 CB HIS A 78 4.954 -3.401 -0.088 1.00 0.00 C ATOM 1169 CG HIS A 78 5.191 -3.264 -1.560 1.00 0.00 C ATOM 1170 ND1 HIS A 78 5.249 -4.343 -2.417 1.00 0.00 N ATOM 1171 CD2 HIS A 78 5.384 -2.166 -2.328 1.00 0.00 C ATOM 1172 CE1 HIS A 78 5.468 -3.914 -3.647 1.00 0.00 C ATOM 1173 NE2 HIS A 78 5.554 -2.597 -3.620 1.00 0.00 N ATOM 0 H HIS A 78 6.236 -5.410 0.971 1.00 0.00 H new ATOM 0 HA HIS A 78 6.926 -2.629 0.274 1.00 0.00 H new ATOM 0 HB2 HIS A 78 4.460 -4.353 0.105 1.00 0.00 H new ATOM 0 HB3 HIS A 78 4.271 -2.616 0.236 1.00 0.00 H new ATOM 0 HD1 HIS A 78 5.140 -5.320 -2.144 1.00 0.00 H new ATOM 0 HD2 HIS A 78 5.401 -1.141 -1.987 1.00 0.00 H new ATOM 0 HE1 HIS A 78 5.561 -4.535 -4.526 1.00 0.00 H new ATOM 1181 N GLY A 79 4.868 -3.371 2.752 1.00 0.00 N ATOM 1182 CA GLY A 79 4.473 -2.955 4.086 1.00 0.00 C ATOM 1183 C GLY A 79 4.210 -1.465 4.175 1.00 0.00 C ATOM 1184 O GLY A 79 4.637 -0.700 3.310 1.00 0.00 O ATOM 0 H GLY A 79 4.290 -4.105 2.343 1.00 0.00 H new ATOM 0 HA2 GLY A 79 3.575 -3.498 4.381 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.256 -3.225 4.794 1.00 0.00 H new ATOM 1188 N ASN A 80 3.504 -1.051 5.222 1.00 0.00 N ATOM 1189 CA ASN A 80 3.183 0.357 5.419 1.00 0.00 C ATOM 1190 C ASN A 80 4.450 1.180 5.627 1.00 0.00 C ATOM 1191 O ASN A 80 4.412 2.410 5.614 1.00 0.00 O ATOM 1192 CB ASN A 80 2.249 0.526 6.619 1.00 0.00 C ATOM 1193 CG ASN A 80 0.910 -0.155 6.410 1.00 0.00 C ATOM 1194 OD1 ASN A 80 0.647 -0.717 5.347 1.00 0.00 O ATOM 1195 ND2 ASN A 80 0.057 -0.106 7.426 1.00 0.00 N ATOM 0 H ASN A 80 3.143 -1.671 5.947 1.00 0.00 H new ATOM 0 HA ASN A 80 2.680 0.718 4.522 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.727 0.116 7.509 1.00 0.00 H new ATOM 0 HB3 ASN A 80 2.088 1.588 6.804 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -0.860 -0.546 7.344 1.00 0.00 H new ATOM 0 HD22 ASN A 80 0.318 0.371 8.289 1.00 0.00 H new ATOM 1202 N GLU A 81 5.572 0.492 5.819 1.00 0.00 N ATOM 1203 CA GLU A 81 6.851 1.160 6.030 1.00 0.00 C ATOM 1204 C GLU A 81 7.139 2.151 4.906 1.00 0.00 C ATOM 1205 O GLU A 81 7.220 3.358 5.132 1.00 0.00 O ATOM 1206 CB GLU A 81 7.980 0.132 6.122 1.00 0.00 C ATOM 1207 CG GLU A 81 9.350 0.750 6.344 1.00 0.00 C ATOM 1208 CD GLU A 81 10.357 -0.245 6.887 1.00 0.00 C ATOM 1209 OE1 GLU A 81 9.931 -1.254 7.488 1.00 0.00 O ATOM 1210 OE2 GLU A 81 11.572 -0.014 6.711 1.00 0.00 O ATOM 0 H GLU A 81 5.621 -0.527 5.833 1.00 0.00 H new ATOM 0 HA GLU A 81 6.794 1.710 6.969 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.766 -0.558 6.938 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.000 -0.456 5.204 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.718 1.157 5.402 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.260 1.585 7.038 1.00 0.00 H new ATOM 1217 N VAL A 82 7.295 1.630 3.693 1.00 0.00 N ATOM 1218 CA VAL A 82 7.575 2.467 2.532 1.00 0.00 C ATOM 1219 C VAL A 82 6.288 2.855 1.811 1.00 0.00 C ATOM 1220 O VAL A 82 6.183 3.946 1.251 1.00 0.00 O ATOM 1221 CB VAL A 82 8.512 1.755 1.539 1.00 0.00 C ATOM 1222 CG1 VAL A 82 9.831 1.403 2.209 1.00 0.00 C ATOM 1223 CG2 VAL A 82 7.843 0.511 0.974 1.00 0.00 C ATOM 0 H VAL A 82 7.232 0.633 3.489 1.00 0.00 H new ATOM 0 HA VAL A 82 8.067 3.367 2.902 1.00 0.00 H new ATOM 0 HB VAL A 82 8.721 2.434 0.713 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.480 0.900 1.492 1.00 0.00 H new ATOM 0 HG12 VAL A 82 10.315 2.314 2.561 1.00 0.00 H new ATOM 0 HG13 VAL A 82 9.644 0.742 3.055 1.00 0.00 H new ATOM 0 HG21 VAL A 82 8.519 0.020 0.274 1.00 0.00 H new ATOM 0 HG22 VAL A 82 7.603 -0.174 1.787 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.927 0.794 0.455 1.00 0.00 H new ATOM 1233 N CYS A 83 5.312 1.954 1.830 1.00 0.00 N ATOM 1234 CA CYS A 83 4.031 2.201 1.177 1.00 0.00 C ATOM 1235 C CYS A 83 3.497 3.584 1.535 1.00 0.00 C ATOM 1236 O CYS A 83 3.429 4.474 0.686 1.00 0.00 O ATOM 1237 CB CYS A 83 3.016 1.130 1.578 1.00 0.00 C ATOM 1238 SG CYS A 83 3.048 -0.345 0.533 1.00 0.00 S ATOM 0 H CYS A 83 5.383 1.046 2.290 1.00 0.00 H new ATOM 0 HA CYS A 83 4.186 2.159 0.099 1.00 0.00 H new ATOM 0 HB2 CYS A 83 3.204 0.835 2.610 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.016 1.563 1.547 1.00 0.00 H new ATOM 0 HG CYS A 83 1.952 -0.407 -0.163 1.00 0.00 H new ATOM 1244 N LYS A 84 3.117 3.758 2.796 1.00 0.00 N ATOM 1245 CA LYS A 84 2.588 5.033 3.267 1.00 0.00 C ATOM 1246 C LYS A 84 3.381 6.199 2.686 1.00 0.00 C ATOM 1247 O LYS A 84 2.855 6.989 1.903 1.00 0.00 O ATOM 1248 CB LYS A 84 2.624 5.089 4.796 1.00 0.00 C ATOM 1249 CG LYS A 84 1.989 6.343 5.373 1.00 0.00 C ATOM 1250 CD LYS A 84 1.383 6.081 6.742 1.00 0.00 C ATOM 1251 CE LYS A 84 0.170 5.169 6.650 1.00 0.00 C ATOM 1252 NZ LYS A 84 0.542 3.734 6.797 1.00 0.00 N ATOM 0 H LYS A 84 3.165 3.032 3.511 1.00 0.00 H new ATOM 0 HA LYS A 84 1.555 5.116 2.930 1.00 0.00 H new ATOM 0 HB2 LYS A 84 2.110 4.215 5.196 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.660 5.030 5.129 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.740 7.129 5.451 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.216 6.706 4.695 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.132 5.628 7.392 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.094 7.027 7.200 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.547 5.439 7.425 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.325 5.319 5.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.220 3.205 5.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.575 3.650 6.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.091 3.344 7.649 1.00 0.00 H new ATOM 1266 N GLN A 85 4.648 6.299 3.074 1.00 0.00 N ATOM 1267 CA GLN A 85 5.513 7.369 2.590 1.00 0.00 C ATOM 1268 C GLN A 85 5.362 7.552 1.084 1.00 0.00 C ATOM 1269 O GLN A 85 5.161 8.667 0.601 1.00 0.00 O ATOM 1270 CB GLN A 85 6.972 7.070 2.936 1.00 0.00 C ATOM 1271 CG GLN A 85 7.356 7.466 4.353 1.00 0.00 C ATOM 1272 CD GLN A 85 8.801 7.144 4.678 1.00 0.00 C ATOM 1273 OE1 GLN A 85 9.721 7.799 4.188 1.00 0.00 O ATOM 1274 NE2 GLN A 85 9.008 6.129 5.509 1.00 0.00 N ATOM 0 H GLN A 85 5.099 5.653 3.722 1.00 0.00 H new ATOM 0 HA GLN A 85 5.213 8.295 3.082 1.00 0.00 H new ATOM 0 HB2 GLN A 85 7.157 6.004 2.803 1.00 0.00 H new ATOM 0 HB3 GLN A 85 7.618 7.596 2.233 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.187 8.535 4.486 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.705 6.950 5.059 1.00 0.00 H new ATOM 0 HE21 GLN A 85 8.215 5.613 5.892 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.960 5.865 5.765 1.00 0.00 H new ATOM 1283 N ILE A 86 5.460 6.451 0.347 1.00 0.00 N ATOM 1284 CA ILE A 86 5.334 6.490 -1.105 1.00 0.00 C ATOM 1285 C ILE A 86 4.049 7.195 -1.526 1.00 0.00 C ATOM 1286 O ILE A 86 3.993 7.828 -2.580 1.00 0.00 O ATOM 1287 CB ILE A 86 5.351 5.074 -1.710 1.00 0.00 C ATOM 1288 CG1 ILE A 86 6.762 4.485 -1.647 1.00 0.00 C ATOM 1289 CG2 ILE A 86 4.848 5.105 -3.146 1.00 0.00 C ATOM 1290 CD1 ILE A 86 6.785 2.974 -1.589 1.00 0.00 C ATOM 0 H ILE A 86 5.626 5.521 0.731 1.00 0.00 H new ATOM 0 HA ILE A 86 6.192 7.047 -1.481 1.00 0.00 H new ATOM 0 HB ILE A 86 4.686 4.438 -1.126 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.324 4.815 -2.521 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.274 4.882 -0.770 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.866 4.097 -3.560 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.827 5.487 -3.166 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.490 5.753 -3.742 1.00 0.00 H new ATOM 0 HD11 ILE A 86 7.817 2.627 -1.546 1.00 0.00 H new ATOM 0 HD12 ILE A 86 6.251 2.636 -0.701 1.00 0.00 H new ATOM 0 HD13 ILE A 86 6.303 2.568 -2.478 1.00 0.00 H new ATOM 1302 N TRP A 87 3.019 7.081 -0.695 1.00 0.00 N ATOM 1303 CA TRP A 87 1.734 7.709 -0.981 1.00 0.00 C ATOM 1304 C TRP A 87 1.657 9.099 -0.358 1.00 0.00 C ATOM 1305 O TRP A 87 0.777 9.892 -0.693 1.00 0.00 O ATOM 1306 CB TRP A 87 0.590 6.838 -0.458 1.00 0.00 C ATOM 1307 CG TRP A 87 0.489 5.513 -1.151 1.00 0.00 C ATOM 1308 CD1 TRP A 87 0.864 4.298 -0.654 1.00 0.00 C ATOM 1309 CD2 TRP A 87 -0.020 5.270 -2.467 1.00 0.00 C ATOM 1310 NE1 TRP A 87 0.620 3.314 -1.582 1.00 0.00 N ATOM 1311 CE2 TRP A 87 0.076 3.885 -2.702 1.00 0.00 C ATOM 1312 CE3 TRP A 87 -0.550 6.088 -3.469 1.00 0.00 C ATOM 1313 CZ2 TRP A 87 -0.336 3.303 -3.898 1.00 0.00 C ATOM 1314 CZ3 TRP A 87 -0.959 5.509 -4.655 1.00 0.00 C ATOM 1315 CH2 TRP A 87 -0.851 4.127 -4.861 1.00 0.00 C ATOM 0 H TRP A 87 3.048 6.560 0.181 1.00 0.00 H new ATOM 0 HA TRP A 87 1.639 7.810 -2.062 1.00 0.00 H new ATOM 0 HB2 TRP A 87 0.728 6.672 0.610 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -0.351 7.375 -0.578 1.00 0.00 H new ATOM 0 HD1 TRP A 87 1.290 4.134 0.325 1.00 0.00 H new ATOM 0 HE1 TRP A 87 0.813 2.320 -1.457 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -0.638 7.154 -3.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -0.252 2.238 -4.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -1.369 6.132 -5.436 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -1.181 3.704 -5.798 1.00 0.00 H new ATOM 1326 N LEU A 88 2.583 9.387 0.550 1.00 0.00 N ATOM 1327 CA LEU A 88 2.620 10.682 1.221 1.00 0.00 C ATOM 1328 C LEU A 88 3.818 11.503 0.754 1.00 0.00 C ATOM 1329 O LEU A 88 4.302 12.377 1.471 1.00 0.00 O ATOM 1330 CB LEU A 88 2.677 10.492 2.737 1.00 0.00 C ATOM 1331 CG LEU A 88 1.740 9.432 3.317 1.00 0.00 C ATOM 1332 CD1 LEU A 88 1.318 9.807 4.729 1.00 0.00 C ATOM 1333 CD2 LEU A 88 0.521 9.253 2.424 1.00 0.00 C ATOM 0 H LEU A 88 3.318 8.741 0.839 1.00 0.00 H new ATOM 0 HA LEU A 88 1.709 11.223 0.963 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.700 10.234 3.012 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.451 11.447 3.211 1.00 0.00 H new ATOM 0 HG LEU A 88 2.277 8.484 3.360 1.00 0.00 H new ATOM 0 HD11 LEU A 88 0.651 9.041 5.125 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.200 9.884 5.364 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.799 10.765 4.711 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.135 8.495 2.852 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.017 10.198 2.349 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.841 8.938 1.431 1.00 0.00 H new ATOM 1345 N GLY A 89 4.290 11.216 -0.455 1.00 0.00 N ATOM 1346 CA GLY A 89 5.426 11.938 -0.998 1.00 0.00 C ATOM 1347 C GLY A 89 5.217 13.439 -0.991 1.00 0.00 C ATOM 1348 O GLY A 89 6.092 14.193 -0.564 1.00 0.00 O ATOM 0 H GLY A 89 3.906 10.497 -1.068 1.00 0.00 H new ATOM 0 HA2 GLY A 89 6.317 11.696 -0.419 1.00 0.00 H new ATOM 0 HA3 GLY A 89 5.610 11.605 -2.019 1.00 0.00 H new ATOM 1352 N LEU A 90 4.055 13.875 -1.465 1.00 0.00 N ATOM 1353 CA LEU A 90 3.734 15.297 -1.513 1.00 0.00 C ATOM 1354 C LEU A 90 2.788 15.680 -0.379 1.00 0.00 C ATOM 1355 O LEU A 90 2.185 16.753 -0.395 1.00 0.00 O ATOM 1356 CB LEU A 90 3.103 15.653 -2.861 1.00 0.00 C ATOM 1357 CG LEU A 90 4.078 15.920 -4.008 1.00 0.00 C ATOM 1358 CD1 LEU A 90 3.340 15.956 -5.337 1.00 0.00 C ATOM 1359 CD2 LEU A 90 4.829 17.223 -3.777 1.00 0.00 C ATOM 0 H LEU A 90 3.320 13.264 -1.821 1.00 0.00 H new ATOM 0 HA LEU A 90 4.661 15.858 -1.394 1.00 0.00 H new ATOM 0 HB2 LEU A 90 2.440 14.839 -3.156 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.481 16.538 -2.726 1.00 0.00 H new ATOM 0 HG LEU A 90 4.803 15.107 -4.040 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.049 16.147 -6.142 1.00 0.00 H new ATOM 0 HD12 LEU A 90 2.848 14.998 -5.506 1.00 0.00 H new ATOM 0 HD13 LEU A 90 2.592 16.749 -5.317 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.518 17.397 -4.603 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.118 18.047 -3.718 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.389 17.160 -2.844 1.00 0.00 H new ATOM 1371 N PHE A 91 2.665 14.796 0.605 1.00 0.00 N ATOM 1372 CA PHE A 91 1.794 15.042 1.749 1.00 0.00 C ATOM 1373 C PHE A 91 2.611 15.367 2.995 1.00 0.00 C ATOM 1374 O PHE A 91 3.408 14.551 3.458 1.00 0.00 O ATOM 1375 CB PHE A 91 0.905 13.824 2.011 1.00 0.00 C ATOM 1376 CG PHE A 91 -0.186 14.082 3.010 1.00 0.00 C ATOM 1377 CD1 PHE A 91 0.120 14.387 4.326 1.00 0.00 C ATOM 1378 CD2 PHE A 91 -1.518 14.021 2.633 1.00 0.00 C ATOM 1379 CE1 PHE A 91 -0.882 14.624 5.248 1.00 0.00 C ATOM 1380 CE2 PHE A 91 -2.525 14.257 3.550 1.00 0.00 C ATOM 1381 CZ PHE A 91 -2.206 14.560 4.859 1.00 0.00 C ATOM 0 H PHE A 91 3.157 13.903 0.634 1.00 0.00 H new ATOM 0 HA PHE A 91 1.164 15.900 1.516 1.00 0.00 H new ATOM 0 HB2 PHE A 91 0.457 13.502 1.071 1.00 0.00 H new ATOM 0 HB3 PHE A 91 1.525 13.001 2.367 1.00 0.00 H new ATOM 0 HD1 PHE A 91 1.153 14.440 4.635 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -1.773 13.786 1.610 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -0.630 14.859 6.272 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.559 14.205 3.243 1.00 0.00 H new ATOM 0 HZ PHE A 91 -2.990 14.747 5.578 1.00 0.00 H new ATOM 1391 N ASP A 92 2.407 16.564 3.533 1.00 0.00 N ATOM 1392 CA ASP A 92 3.124 16.998 4.727 1.00 0.00 C ATOM 1393 C ASP A 92 2.172 17.146 5.909 1.00 0.00 C ATOM 1394 O ASP A 92 1.125 17.786 5.800 1.00 0.00 O ATOM 1395 CB ASP A 92 3.840 18.324 4.464 1.00 0.00 C ATOM 1396 CG ASP A 92 5.215 18.128 3.854 1.00 0.00 C ATOM 1397 OD1 ASP A 92 5.296 17.935 2.623 1.00 0.00 O ATOM 1398 OD2 ASP A 92 6.209 18.169 4.608 1.00 0.00 O ATOM 0 H ASP A 92 1.751 17.251 3.162 1.00 0.00 H new ATOM 0 HA ASP A 92 3.864 16.237 4.973 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.233 18.935 3.796 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.936 18.874 5.400 1.00 0.00 H new ATOM 1403 N ASP A 93 2.541 16.551 7.038 1.00 0.00 N ATOM 1404 CA ASP A 93 1.719 16.616 8.241 1.00 0.00 C ATOM 1405 C ASP A 93 1.276 18.049 8.519 1.00 0.00 C ATOM 1406 O ASP A 93 0.120 18.296 8.864 1.00 0.00 O ATOM 1407 CB ASP A 93 2.491 16.066 9.442 1.00 0.00 C ATOM 1408 CG ASP A 93 1.573 15.590 10.551 1.00 0.00 C ATOM 1409 OD1 ASP A 93 0.887 16.439 11.158 1.00 0.00 O ATOM 1410 OD2 ASP A 93 1.541 14.370 10.811 1.00 0.00 O ATOM 0 H ASP A 93 3.404 16.018 7.145 1.00 0.00 H new ATOM 0 HA ASP A 93 0.831 16.005 8.078 1.00 0.00 H new ATOM 0 HB2 ASP A 93 3.122 15.239 9.117 1.00 0.00 H new ATOM 0 HB3 ASP A 93 3.154 16.840 9.830 1.00 0.00 H new ATOM 1415 N ARG A 94 2.202 18.990 8.367 1.00 0.00 N ATOM 1416 CA ARG A 94 1.908 20.398 8.604 1.00 0.00 C ATOM 1417 C ARG A 94 1.092 20.983 7.455 1.00 0.00 C ATOM 1418 O ARG A 94 0.070 21.634 7.674 1.00 0.00 O ATOM 1419 CB ARG A 94 3.205 21.190 8.779 1.00 0.00 C ATOM 1420 CG ARG A 94 3.743 21.172 10.200 1.00 0.00 C ATOM 1421 CD ARG A 94 4.786 22.258 10.414 1.00 0.00 C ATOM 1422 NE ARG A 94 4.184 23.520 10.834 1.00 0.00 N ATOM 1423 CZ ARG A 94 4.812 24.690 10.773 1.00 0.00 C ATOM 1424 NH1 ARG A 94 6.053 24.756 10.311 1.00 0.00 N ATOM 1425 NH2 ARG A 94 4.198 25.795 11.173 1.00 0.00 N ATOM 0 H ARG A 94 3.163 18.803 8.081 1.00 0.00 H new ATOM 0 HA ARG A 94 1.320 20.472 9.519 1.00 0.00 H new ATOM 0 HB2 ARG A 94 3.962 20.784 8.108 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.033 22.223 8.478 1.00 0.00 H new ATOM 0 HG2 ARG A 94 2.922 21.311 10.903 1.00 0.00 H new ATOM 0 HG3 ARG A 94 4.182 20.197 10.412 1.00 0.00 H new ATOM 0 HD2 ARG A 94 5.502 21.930 11.167 1.00 0.00 H new ATOM 0 HD3 ARG A 94 5.344 22.412 9.490 1.00 0.00 H new ATOM 0 HE ARG A 94 3.230 23.503 11.194 1.00 0.00 H new ATOM 0 HH11 ARG A 94 6.528 23.908 10.001 1.00 0.00 H new ATOM 0 HH12 ARG A 94 6.533 25.655 10.265 1.00 0.00 H new ATOM 0 HH21 ARG A 94 3.243 25.748 11.528 1.00 0.00 H new ATOM 0 HH22 ARG A 94 4.681 26.692 11.126 1.00 0.00 H new ATOM 1439 N SER A 95 1.552 20.748 6.230 1.00 0.00 N ATOM 1440 CA SER A 95 0.867 21.256 5.047 1.00 0.00 C ATOM 1441 C SER A 95 -0.607 20.864 5.062 1.00 0.00 C ATOM 1442 O SER A 95 -1.489 21.723 5.087 1.00 0.00 O ATOM 1443 CB SER A 95 1.535 20.723 3.778 1.00 0.00 C ATOM 1444 OG SER A 95 1.087 21.425 2.632 1.00 0.00 O ATOM 0 H SER A 95 2.395 20.210 6.031 1.00 0.00 H new ATOM 0 HA SER A 95 0.935 22.344 5.057 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.617 20.817 3.866 1.00 0.00 H new ATOM 0 HB3 SER A 95 1.316 19.661 3.667 1.00 0.00 H new ATOM 0 HG SER A 95 1.530 21.066 1.835 1.00 0.00 H new ATOM 1450 N SER A 96 -0.867 19.561 5.046 1.00 0.00 N ATOM 1451 CA SER A 96 -2.234 19.054 5.054 1.00 0.00 C ATOM 1452 C SER A 96 -2.627 18.573 6.447 1.00 0.00 C ATOM 1453 O SER A 96 -1.832 18.634 7.384 1.00 0.00 O ATOM 1454 CB SER A 96 -2.383 17.912 4.047 1.00 0.00 C ATOM 1455 OG SER A 96 -2.389 18.401 2.717 1.00 0.00 O ATOM 0 H SER A 96 -0.149 18.837 5.027 1.00 0.00 H new ATOM 0 HA SER A 96 -2.899 19.869 4.769 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.565 17.203 4.173 1.00 0.00 H new ATOM 0 HB3 SER A 96 -3.308 17.369 4.242 1.00 0.00 H new ATOM 0 HG SER A 96 -2.484 17.651 2.093 1.00 0.00 H new ATOM 1461 N ALA A 97 -3.861 18.096 6.576 1.00 0.00 N ATOM 1462 CA ALA A 97 -4.360 17.603 7.853 1.00 0.00 C ATOM 1463 C ALA A 97 -4.913 16.188 7.717 1.00 0.00 C ATOM 1464 O ALA A 97 -5.102 15.690 6.607 1.00 0.00 O ATOM 1465 CB ALA A 97 -5.428 18.539 8.400 1.00 0.00 C ATOM 0 H ALA A 97 -4.533 18.041 5.811 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.526 17.573 8.554 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.792 18.158 9.354 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.002 19.532 8.544 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -6.256 18.598 7.694 1.00 0.00 H new ATOM 1471 N ILE A 98 -5.171 15.547 8.852 1.00 0.00 N ATOM 1472 CA ILE A 98 -5.702 14.190 8.859 1.00 0.00 C ATOM 1473 C ILE A 98 -7.147 14.168 9.347 1.00 0.00 C ATOM 1474 O ILE A 98 -7.488 14.745 10.380 1.00 0.00 O ATOM 1475 CB ILE A 98 -4.858 13.258 9.748 1.00 0.00 C ATOM 1476 CG1 ILE A 98 -3.419 13.189 9.231 1.00 0.00 C ATOM 1477 CG2 ILE A 98 -5.476 11.869 9.798 1.00 0.00 C ATOM 1478 CD1 ILE A 98 -3.323 13.094 7.724 1.00 0.00 C ATOM 0 H ILE A 98 -5.021 15.946 9.779 1.00 0.00 H new ATOM 0 HA ILE A 98 -5.662 13.831 7.831 1.00 0.00 H new ATOM 0 HB ILE A 98 -4.842 13.663 10.760 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -2.878 14.074 9.567 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -2.923 12.325 9.674 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -4.867 11.223 10.430 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -6.484 11.934 10.208 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.520 11.454 8.791 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -2.275 13.049 7.428 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -3.835 12.195 7.383 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -3.789 13.970 7.274 1.00 0.00 H new ATOM 1490 N PRO A 99 -8.017 13.485 8.588 1.00 0.00 N ATOM 1491 CA PRO A 99 -9.439 13.369 8.925 1.00 0.00 C ATOM 1492 C PRO A 99 -9.675 12.496 10.153 1.00 0.00 C ATOM 1493 O PRO A 99 -8.731 12.108 10.840 1.00 0.00 O ATOM 1494 CB PRO A 99 -10.046 12.715 7.680 1.00 0.00 C ATOM 1495 CG PRO A 99 -8.917 11.969 7.056 1.00 0.00 C ATOM 1496 CD PRO A 99 -7.680 12.773 7.344 1.00 0.00 C ATOM 0 HA PRO A 99 -9.879 14.335 9.174 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -10.865 12.046 7.944 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -10.452 13.462 6.998 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -8.835 10.965 7.472 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -9.069 11.858 5.982 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -6.806 12.134 7.471 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -7.453 13.466 6.533 1.00 0.00 H new ATOM 1504 N ASP A 100 -10.940 12.193 10.423 1.00 0.00 N ATOM 1505 CA ASP A 100 -11.299 11.364 11.568 1.00 0.00 C ATOM 1506 C ASP A 100 -11.336 9.889 11.182 1.00 0.00 C ATOM 1507 O ASP A 100 -11.393 9.547 10.000 1.00 0.00 O ATOM 1508 CB ASP A 100 -12.657 11.792 12.128 1.00 0.00 C ATOM 1509 CG ASP A 100 -13.707 11.947 11.045 1.00 0.00 C ATOM 1510 OD1 ASP A 100 -13.948 10.967 10.308 1.00 0.00 O ATOM 1511 OD2 ASP A 100 -14.287 13.046 10.934 1.00 0.00 O ATOM 0 H ASP A 100 -11.733 12.509 9.865 1.00 0.00 H new ATOM 0 HA ASP A 100 -10.538 11.500 12.336 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -12.996 11.054 12.855 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -12.546 12.737 12.660 1.00 0.00 H new ATOM 1516 N PHE A 101 -11.303 9.019 12.185 1.00 0.00 N ATOM 1517 CA PHE A 101 -11.331 7.580 11.951 1.00 0.00 C ATOM 1518 C PHE A 101 -12.605 6.961 12.518 1.00 0.00 C ATOM 1519 O PHE A 101 -12.568 5.899 13.139 1.00 0.00 O ATOM 1520 CB PHE A 101 -10.104 6.916 12.579 1.00 0.00 C ATOM 1521 CG PHE A 101 -8.820 7.645 12.305 1.00 0.00 C ATOM 1522 CD1 PHE A 101 -8.510 8.069 11.023 1.00 0.00 C ATOM 1523 CD2 PHE A 101 -7.924 7.907 13.328 1.00 0.00 C ATOM 1524 CE1 PHE A 101 -7.329 8.741 10.766 1.00 0.00 C ATOM 1525 CE2 PHE A 101 -6.743 8.579 13.078 1.00 0.00 C ATOM 1526 CZ PHE A 101 -6.444 8.996 11.796 1.00 0.00 C ATOM 0 H PHE A 101 -11.257 9.285 13.169 1.00 0.00 H new ATOM 0 HA PHE A 101 -11.315 7.412 10.874 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -10.250 6.847 13.657 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.021 5.896 12.203 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -9.199 7.872 10.215 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -8.151 7.582 14.333 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -7.099 9.066 9.762 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -6.054 8.778 13.885 1.00 0.00 H new ATOM 0 HZ PHE A 101 -5.521 9.520 11.599 1.00 0.00 H new ATOM 1536 N ARG A 102 -13.730 7.633 12.299 1.00 0.00 N ATOM 1537 CA ARG A 102 -15.016 7.151 12.789 1.00 0.00 C ATOM 1538 C ARG A 102 -16.060 7.159 11.676 1.00 0.00 C ATOM 1539 O ARG A 102 -16.886 6.251 11.580 1.00 0.00 O ATOM 1540 CB ARG A 102 -15.496 8.012 13.959 1.00 0.00 C ATOM 1541 CG ARG A 102 -14.505 8.083 15.109 1.00 0.00 C ATOM 1542 CD ARG A 102 -14.931 9.107 16.149 1.00 0.00 C ATOM 1543 NE ARG A 102 -15.948 8.578 17.055 1.00 0.00 N ATOM 1544 CZ ARG A 102 -16.248 9.129 18.225 1.00 0.00 C ATOM 1545 NH1 ARG A 102 -15.613 10.220 18.630 1.00 0.00 N ATOM 1546 NH2 ARG A 102 -17.185 8.589 18.993 1.00 0.00 N ATOM 0 H ARG A 102 -13.777 8.513 11.785 1.00 0.00 H new ATOM 0 HA ARG A 102 -14.884 6.125 13.132 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -15.695 9.021 13.599 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -16.441 7.614 14.329 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -14.418 7.102 15.577 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -13.518 8.342 14.725 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -14.061 9.422 16.725 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -15.319 9.993 15.647 1.00 0.00 H new ATOM 0 HE ARG A 102 -16.455 7.739 16.773 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -14.892 10.638 18.042 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -15.846 10.641 19.529 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -17.676 7.750 18.685 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -17.415 9.013 19.892 1.00 0.00 H new ATOM 1560 N ASP A 103 -16.016 8.189 10.838 1.00 0.00 N ATOM 1561 CA ASP A 103 -16.957 8.315 9.732 1.00 0.00 C ATOM 1562 C ASP A 103 -16.328 7.837 8.426 1.00 0.00 C ATOM 1563 O ASP A 103 -15.342 8.394 7.944 1.00 0.00 O ATOM 1564 CB ASP A 103 -17.418 9.766 9.589 1.00 0.00 C ATOM 1565 CG ASP A 103 -18.386 10.176 10.681 1.00 0.00 C ATOM 1566 OD1 ASP A 103 -17.920 10.552 11.777 1.00 0.00 O ATOM 1567 OD2 ASP A 103 -19.611 10.120 10.441 1.00 0.00 O ATOM 0 H ASP A 103 -15.339 8.949 10.904 1.00 0.00 H new ATOM 0 HA ASP A 103 -17.821 7.687 9.950 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -16.549 10.424 9.612 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -17.893 9.899 8.617 1.00 0.00 H new ATOM 1572 N PRO A 104 -16.910 6.780 7.841 1.00 0.00 N ATOM 1573 CA PRO A 104 -16.423 6.204 6.584 1.00 0.00 C ATOM 1574 C PRO A 104 -16.668 7.123 5.392 1.00 0.00 C ATOM 1575 O PRO A 104 -15.991 7.020 4.369 1.00 0.00 O ATOM 1576 CB PRO A 104 -17.240 4.917 6.444 1.00 0.00 C ATOM 1577 CG PRO A 104 -18.487 5.174 7.218 1.00 0.00 C ATOM 1578 CD PRO A 104 -18.089 6.066 8.360 1.00 0.00 C ATOM 0 HA PRO A 104 -15.345 6.041 6.600 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -17.460 4.700 5.399 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -16.698 4.059 6.841 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -19.242 5.652 6.594 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -18.919 4.242 7.583 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -18.889 6.755 8.629 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -17.849 5.491 9.254 1.00 0.00 H new ATOM 1586 N GLN A 105 -17.639 8.019 5.531 1.00 0.00 N ATOM 1587 CA GLN A 105 -17.972 8.956 4.464 1.00 0.00 C ATOM 1588 C GLN A 105 -16.815 9.915 4.201 1.00 0.00 C ATOM 1589 O GLN A 105 -16.495 10.218 3.052 1.00 0.00 O ATOM 1590 CB GLN A 105 -19.232 9.745 4.824 1.00 0.00 C ATOM 1591 CG GLN A 105 -20.498 8.903 4.822 1.00 0.00 C ATOM 1592 CD GLN A 105 -21.669 9.609 5.476 1.00 0.00 C ATOM 1593 OE1 GLN A 105 -21.894 9.477 6.680 1.00 0.00 O ATOM 1594 NE2 GLN A 105 -22.423 10.363 4.685 1.00 0.00 N ATOM 0 H GLN A 105 -18.209 8.116 6.371 1.00 0.00 H new ATOM 0 HA GLN A 105 -18.158 8.382 3.556 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -19.103 10.190 5.811 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -19.351 10.566 4.117 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -20.759 8.649 3.795 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -20.307 7.965 5.343 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -22.200 10.444 3.693 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -23.226 10.862 5.069 1.00 0.00 H new ATOM 1603 N LYS A 106 -16.192 10.390 5.274 1.00 0.00 N ATOM 1604 CA LYS A 106 -15.070 11.315 5.160 1.00 0.00 C ATOM 1605 C LYS A 106 -13.796 10.578 4.757 1.00 0.00 C ATOM 1606 O LYS A 106 -13.182 10.891 3.737 1.00 0.00 O ATOM 1607 CB LYS A 106 -14.850 12.047 6.485 1.00 0.00 C ATOM 1608 CG LYS A 106 -16.009 12.944 6.884 1.00 0.00 C ATOM 1609 CD LYS A 106 -15.534 14.150 7.677 1.00 0.00 C ATOM 1610 CE LYS A 106 -16.585 14.610 8.675 1.00 0.00 C ATOM 1611 NZ LYS A 106 -16.029 15.581 9.659 1.00 0.00 N ATOM 0 H LYS A 106 -16.445 10.150 6.233 1.00 0.00 H new ATOM 0 HA LYS A 106 -15.309 12.043 4.385 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -14.682 11.313 7.273 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.944 12.649 6.412 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -16.535 13.279 5.990 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -16.723 12.374 7.479 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -14.614 13.900 8.205 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -15.298 14.966 6.994 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -17.416 15.070 8.141 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -16.986 13.746 9.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -16.777 15.870 10.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -15.252 15.134 10.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -15.669 16.417 9.156 1.00 0.00 H new ATOM 1625 N VAL A 107 -13.406 9.596 5.564 1.00 0.00 N ATOM 1626 CA VAL A 107 -12.207 8.812 5.289 1.00 0.00 C ATOM 1627 C VAL A 107 -12.180 8.338 3.841 1.00 0.00 C ATOM 1628 O VAL A 107 -11.137 8.362 3.187 1.00 0.00 O ATOM 1629 CB VAL A 107 -12.111 7.589 6.221 1.00 0.00 C ATOM 1630 CG1 VAL A 107 -10.915 6.727 5.848 1.00 0.00 C ATOM 1631 CG2 VAL A 107 -12.026 8.032 7.674 1.00 0.00 C ATOM 0 H VAL A 107 -13.902 9.325 6.413 1.00 0.00 H new ATOM 0 HA VAL A 107 -11.353 9.465 5.469 1.00 0.00 H new ATOM 0 HB VAL A 107 -13.013 6.990 6.100 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -10.863 5.868 6.517 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -11.023 6.381 4.820 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -10.001 7.314 5.939 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -11.959 7.155 8.318 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -11.142 8.654 7.814 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -12.917 8.605 7.932 1.00 0.00 H new ATOM 1641 N LYS A 108 -13.334 7.906 3.344 1.00 0.00 N ATOM 1642 CA LYS A 108 -13.445 7.427 1.971 1.00 0.00 C ATOM 1643 C LYS A 108 -13.029 8.510 0.981 1.00 0.00 C ATOM 1644 O LYS A 108 -12.236 8.261 0.074 1.00 0.00 O ATOM 1645 CB LYS A 108 -14.880 6.980 1.680 1.00 0.00 C ATOM 1646 CG LYS A 108 -15.097 6.528 0.246 1.00 0.00 C ATOM 1647 CD LYS A 108 -16.497 5.976 0.042 1.00 0.00 C ATOM 1648 CE LYS A 108 -16.800 5.757 -1.433 1.00 0.00 C ATOM 1649 NZ LYS A 108 -16.045 4.600 -1.988 1.00 0.00 N ATOM 0 H LYS A 108 -14.206 7.878 3.872 1.00 0.00 H new ATOM 0 HA LYS A 108 -12.774 6.576 1.854 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -15.141 6.163 2.353 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -15.560 7.803 1.899 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -14.934 7.367 -0.430 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -14.363 5.765 -0.011 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -16.600 5.033 0.580 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -17.227 6.666 0.466 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -17.869 5.589 -1.563 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -16.548 6.657 -1.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -16.279 4.484 -2.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -15.024 4.771 -1.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -16.304 3.736 -1.470 1.00 0.00 H new ATOM 1663 N GLU A 109 -13.567 9.712 1.164 1.00 0.00 N ATOM 1664 CA GLU A 109 -13.250 10.832 0.286 1.00 0.00 C ATOM 1665 C GLU A 109 -11.749 11.106 0.276 1.00 0.00 C ATOM 1666 O GLU A 109 -11.123 11.157 -0.784 1.00 0.00 O ATOM 1667 CB GLU A 109 -14.005 12.086 0.730 1.00 0.00 C ATOM 1668 CG GLU A 109 -15.516 11.937 0.680 1.00 0.00 C ATOM 1669 CD GLU A 109 -16.237 13.036 1.436 1.00 0.00 C ATOM 1670 OE1 GLU A 109 -15.680 13.529 2.439 1.00 0.00 O ATOM 1671 OE2 GLU A 109 -17.357 13.403 1.025 1.00 0.00 O ATOM 0 H GLU A 109 -14.224 9.935 1.912 1.00 0.00 H new ATOM 0 HA GLU A 109 -13.561 10.568 -0.725 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -13.707 12.338 1.748 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -13.710 12.921 0.095 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -15.843 11.942 -0.360 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -15.796 10.970 1.098 1.00 0.00 H new ATOM 1678 N PHE A 110 -11.177 11.282 1.462 1.00 0.00 N ATOM 1679 CA PHE A 110 -9.749 11.552 1.590 1.00 0.00 C ATOM 1680 C PHE A 110 -8.926 10.447 0.935 1.00 0.00 C ATOM 1681 O PHE A 110 -7.974 10.719 0.202 1.00 0.00 O ATOM 1682 CB PHE A 110 -9.364 11.685 3.065 1.00 0.00 C ATOM 1683 CG PHE A 110 -7.881 11.662 3.302 1.00 0.00 C ATOM 1684 CD1 PHE A 110 -7.154 10.499 3.106 1.00 0.00 C ATOM 1685 CD2 PHE A 110 -7.215 12.802 3.721 1.00 0.00 C ATOM 1686 CE1 PHE A 110 -5.789 10.474 3.323 1.00 0.00 C ATOM 1687 CE2 PHE A 110 -5.851 12.783 3.939 1.00 0.00 C ATOM 1688 CZ PHE A 110 -5.137 11.618 3.741 1.00 0.00 C ATOM 0 H PHE A 110 -11.680 11.243 2.349 1.00 0.00 H new ATOM 0 HA PHE A 110 -9.535 12.491 1.080 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -9.772 12.617 3.456 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -9.826 10.874 3.627 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -7.659 9.602 2.780 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -7.768 13.716 3.879 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -5.233 9.561 3.166 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -5.343 13.679 4.264 1.00 0.00 H new ATOM 0 HZ PHE A 110 -4.071 11.601 3.913 1.00 0.00 H new ATOM 1698 N LEU A 111 -9.298 9.201 1.206 1.00 0.00 N ATOM 1699 CA LEU A 111 -8.594 8.054 0.644 1.00 0.00 C ATOM 1700 C LEU A 111 -8.607 8.100 -0.881 1.00 0.00 C ATOM 1701 O LEU A 111 -7.628 7.731 -1.530 1.00 0.00 O ATOM 1702 CB LEU A 111 -9.231 6.751 1.131 1.00 0.00 C ATOM 1703 CG LEU A 111 -8.713 6.208 2.463 1.00 0.00 C ATOM 1704 CD1 LEU A 111 -9.570 5.044 2.935 1.00 0.00 C ATOM 1705 CD2 LEU A 111 -7.257 5.784 2.337 1.00 0.00 C ATOM 0 H LEU A 111 -10.083 8.959 1.811 1.00 0.00 H new ATOM 0 HA LEU A 111 -7.558 8.094 0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.306 6.906 1.218 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -9.080 5.988 0.367 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.776 7.003 3.206 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -9.186 4.671 3.884 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -10.599 5.379 3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.541 4.246 2.193 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -6.906 5.400 3.295 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -7.169 5.005 1.580 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -6.652 6.643 2.046 1.00 0.00 H new ATOM 1717 N GLN A 112 -9.720 8.557 -1.445 1.00 0.00 N ATOM 1718 CA GLN A 112 -9.859 8.653 -2.893 1.00 0.00 C ATOM 1719 C GLN A 112 -8.825 9.609 -3.477 1.00 0.00 C ATOM 1720 O GLN A 112 -8.213 9.324 -4.506 1.00 0.00 O ATOM 1721 CB GLN A 112 -11.268 9.120 -3.261 1.00 0.00 C ATOM 1722 CG GLN A 112 -12.292 7.997 -3.294 1.00 0.00 C ATOM 1723 CD GLN A 112 -13.709 8.504 -3.484 1.00 0.00 C ATOM 1724 OE1 GLN A 112 -13.928 9.692 -3.720 1.00 0.00 O ATOM 1725 NE2 GLN A 112 -14.679 7.603 -3.382 1.00 0.00 N ATOM 0 H GLN A 112 -10.539 8.867 -0.921 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.690 7.662 -3.315 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.591 9.874 -2.543 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -11.238 9.602 -4.238 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -12.045 7.309 -4.102 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -12.234 7.431 -2.365 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -14.451 6.628 -3.185 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -15.652 7.885 -3.501 1.00 0.00 H new ATOM 1734 N GLU A 113 -8.635 10.745 -2.813 1.00 0.00 N ATOM 1735 CA GLU A 113 -7.675 11.744 -3.268 1.00 0.00 C ATOM 1736 C GLU A 113 -6.256 11.183 -3.248 1.00 0.00 C ATOM 1737 O GLU A 113 -5.333 11.778 -3.805 1.00 0.00 O ATOM 1738 CB GLU A 113 -7.753 12.996 -2.391 1.00 0.00 C ATOM 1739 CG GLU A 113 -9.106 13.685 -2.434 1.00 0.00 C ATOM 1740 CD GLU A 113 -9.226 14.663 -3.586 1.00 0.00 C ATOM 1741 OE1 GLU A 113 -8.205 14.916 -4.259 1.00 0.00 O ATOM 1742 OE2 GLU A 113 -10.342 15.175 -3.815 1.00 0.00 O ATOM 0 H GLU A 113 -9.133 10.996 -1.959 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.927 12.012 -4.294 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -7.527 12.722 -1.361 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -6.985 13.701 -2.710 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -9.890 12.933 -2.518 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -9.270 14.213 -1.495 1.00 0.00 H new ATOM 1749 N LYS A 114 -6.089 10.035 -2.601 1.00 0.00 N ATOM 1750 CA LYS A 114 -4.784 9.391 -2.508 1.00 0.00 C ATOM 1751 C LYS A 114 -4.644 8.290 -3.554 1.00 0.00 C ATOM 1752 O LYS A 114 -3.541 7.994 -4.014 1.00 0.00 O ATOM 1753 CB LYS A 114 -4.579 8.809 -1.108 1.00 0.00 C ATOM 1754 CG LYS A 114 -3.292 8.015 -0.962 1.00 0.00 C ATOM 1755 CD LYS A 114 -3.184 7.376 0.413 1.00 0.00 C ATOM 1756 CE LYS A 114 -2.483 8.295 1.401 1.00 0.00 C ATOM 1757 NZ LYS A 114 -2.935 8.054 2.799 1.00 0.00 N ATOM 0 H LYS A 114 -6.842 9.531 -2.133 1.00 0.00 H new ATOM 0 HA LYS A 114 -4.020 10.145 -2.697 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -4.579 9.622 -0.382 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.423 8.164 -0.864 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.252 7.241 -1.728 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -2.438 8.671 -1.127 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -4.181 7.135 0.783 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -2.637 6.437 0.337 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -1.406 8.143 1.336 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -2.676 9.333 1.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -3.337 8.930 3.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -3.659 7.307 2.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -2.125 7.756 3.379 1.00 0.00 H new ATOM 1771 N TYR A 115 -5.768 7.687 -3.925 1.00 0.00 N ATOM 1772 CA TYR A 115 -5.770 6.617 -4.916 1.00 0.00 C ATOM 1773 C TYR A 115 -6.590 7.012 -6.141 1.00 0.00 C ATOM 1774 O TYR A 115 -6.091 6.996 -7.266 1.00 0.00 O ATOM 1775 CB TYR A 115 -6.329 5.331 -4.307 1.00 0.00 C ATOM 1776 CG TYR A 115 -5.756 5.006 -2.946 1.00 0.00 C ATOM 1777 CD1 TYR A 115 -4.408 5.204 -2.673 1.00 0.00 C ATOM 1778 CD2 TYR A 115 -6.562 4.501 -1.933 1.00 0.00 C ATOM 1779 CE1 TYR A 115 -3.880 4.908 -1.431 1.00 0.00 C ATOM 1780 CE2 TYR A 115 -6.043 4.203 -0.688 1.00 0.00 C ATOM 1781 CZ TYR A 115 -4.702 4.408 -0.442 1.00 0.00 C ATOM 1782 OH TYR A 115 -4.180 4.113 0.796 1.00 0.00 O ATOM 0 H TYR A 115 -6.689 7.921 -3.555 1.00 0.00 H new ATOM 0 HA TYR A 115 -4.741 6.444 -5.230 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -7.412 5.419 -4.224 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -6.128 4.501 -4.984 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -3.762 5.596 -3.445 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -7.613 4.339 -2.122 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -2.830 5.067 -1.235 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -6.684 3.812 0.088 1.00 0.00 H new ATOM 0 HH TYR A 115 -4.891 3.772 1.378 1.00 0.00 H new ATOM 1792 N GLU A 116 -7.851 7.365 -5.913 1.00 0.00 N ATOM 1793 CA GLU A 116 -8.741 7.763 -6.997 1.00 0.00 C ATOM 1794 C GLU A 116 -8.172 8.959 -7.756 1.00 0.00 C ATOM 1795 O GLU A 116 -8.335 9.072 -8.971 1.00 0.00 O ATOM 1796 CB GLU A 116 -10.127 8.106 -6.449 1.00 0.00 C ATOM 1797 CG GLU A 116 -11.072 6.918 -6.397 1.00 0.00 C ATOM 1798 CD GLU A 116 -12.530 7.328 -6.470 1.00 0.00 C ATOM 1799 OE1 GLU A 116 -12.828 8.509 -6.197 1.00 0.00 O ATOM 1800 OE2 GLU A 116 -13.373 6.468 -6.801 1.00 0.00 O ATOM 0 H GLU A 116 -8.279 7.383 -4.987 1.00 0.00 H new ATOM 0 HA GLU A 116 -8.829 6.924 -7.687 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -10.020 8.518 -5.446 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -10.571 8.886 -7.068 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -10.847 6.243 -7.223 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -10.901 6.362 -5.475 1.00 0.00 H new ATOM 1807 N LYS A 117 -7.504 9.849 -7.031 1.00 0.00 N ATOM 1808 CA LYS A 117 -6.909 11.036 -7.633 1.00 0.00 C ATOM 1809 C LYS A 117 -5.386 10.958 -7.602 1.00 0.00 C ATOM 1810 O LYS A 117 -4.702 11.648 -8.358 1.00 0.00 O ATOM 1811 CB LYS A 117 -7.381 12.295 -6.902 1.00 0.00 C ATOM 1812 CG LYS A 117 -8.860 12.280 -6.557 1.00 0.00 C ATOM 1813 CD LYS A 117 -9.713 12.699 -7.742 1.00 0.00 C ATOM 1814 CE LYS A 117 -11.152 12.964 -7.327 1.00 0.00 C ATOM 1815 NZ LYS A 117 -11.984 11.730 -7.391 1.00 0.00 N ATOM 0 H LYS A 117 -7.361 9.771 -6.024 1.00 0.00 H new ATOM 0 HA LYS A 117 -7.231 11.085 -8.673 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -6.804 12.410 -5.985 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -7.170 13.166 -7.523 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -9.149 11.280 -6.235 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -9.046 12.951 -5.718 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -9.293 13.597 -8.195 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -9.690 11.918 -8.502 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -11.170 13.362 -6.312 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -11.583 13.726 -7.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -12.958 11.952 -7.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -11.988 11.364 -8.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -11.588 11.011 -6.752 1.00 0.00 H new ATOM 1829 N LYS A 118 -4.860 10.111 -6.723 1.00 0.00 N ATOM 1830 CA LYS A 118 -3.418 9.940 -6.594 1.00 0.00 C ATOM 1831 C LYS A 118 -2.715 11.290 -6.502 1.00 0.00 C ATOM 1832 O LYS A 118 -1.740 11.543 -7.210 1.00 0.00 O ATOM 1833 CB LYS A 118 -2.869 9.148 -7.784 1.00 0.00 C ATOM 1834 CG LYS A 118 -3.053 7.646 -7.651 1.00 0.00 C ATOM 1835 CD LYS A 118 -1.966 6.884 -8.391 1.00 0.00 C ATOM 1836 CE LYS A 118 -2.134 5.380 -8.233 1.00 0.00 C ATOM 1837 NZ LYS A 118 -1.539 4.633 -9.376 1.00 0.00 N ATOM 0 H LYS A 118 -5.411 9.532 -6.089 1.00 0.00 H new ATOM 0 HA LYS A 118 -3.225 9.386 -5.675 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -3.363 9.487 -8.695 1.00 0.00 H new ATOM 0 HB3 LYS A 118 -1.807 9.367 -7.897 1.00 0.00 H new ATOM 0 HG2 LYS A 118 -3.040 7.369 -6.597 1.00 0.00 H new ATOM 0 HG3 LYS A 118 -4.029 7.362 -8.043 1.00 0.00 H new ATOM 0 HD2 LYS A 118 -1.993 7.145 -9.449 1.00 0.00 H new ATOM 0 HD3 LYS A 118 -0.988 7.184 -8.013 1.00 0.00 H new ATOM 0 HE2 LYS A 118 -1.664 5.058 -7.304 1.00 0.00 H new ATOM 0 HE3 LYS A 118 -3.194 5.139 -8.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 -1.674 3.612 -9.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 -2.005 4.922 -10.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 -0.522 4.843 -9.436 1.00 0.00 H new ATOM 1851 N ARG A 119 -3.216 12.154 -5.625 1.00 0.00 N ATOM 1852 CA ARG A 119 -2.636 13.479 -5.440 1.00 0.00 C ATOM 1853 C ARG A 119 -1.180 13.377 -4.993 1.00 0.00 C ATOM 1854 O ARG A 119 -0.267 13.742 -5.733 1.00 0.00 O ATOM 1855 CB ARG A 119 -3.442 14.273 -4.411 1.00 0.00 C ATOM 1856 CG ARG A 119 -3.131 15.761 -4.410 1.00 0.00 C ATOM 1857 CD ARG A 119 -4.301 16.575 -3.880 1.00 0.00 C ATOM 1858 NE ARG A 119 -4.251 17.963 -4.331 1.00 0.00 N ATOM 1859 CZ ARG A 119 -5.276 18.802 -4.240 1.00 0.00 C ATOM 1860 NH1 ARG A 119 -6.425 18.397 -3.718 1.00 0.00 N ATOM 1861 NH2 ARG A 119 -5.153 20.051 -4.673 1.00 0.00 N ATOM 0 H ARG A 119 -4.022 11.960 -5.031 1.00 0.00 H new ATOM 0 HA ARG A 119 -2.669 14.000 -6.397 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -4.505 14.133 -4.608 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -3.246 13.869 -3.418 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -2.249 15.949 -3.798 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -2.891 16.084 -5.423 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -5.236 16.121 -4.207 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -4.298 16.548 -2.790 1.00 0.00 H new ATOM 0 HE ARG A 119 -3.381 18.307 -4.738 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -6.524 17.438 -3.385 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -7.210 19.044 -3.650 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -4.271 20.367 -5.076 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -5.941 20.695 -4.603 1.00 0.00 H new ATOM 1875 N TRP A 120 -0.974 12.881 -3.779 1.00 0.00 N ATOM 1876 CA TRP A 120 0.371 12.732 -3.233 1.00 0.00 C ATOM 1877 C TRP A 120 0.979 11.395 -3.640 1.00 0.00 C ATOM 1878 O TRP A 120 1.561 10.690 -2.816 1.00 0.00 O ATOM 1879 CB TRP A 120 0.340 12.848 -1.708 1.00 0.00 C ATOM 1880 CG TRP A 120 -0.642 13.866 -1.209 1.00 0.00 C ATOM 1881 CD1 TRP A 120 -0.434 15.209 -1.077 1.00 0.00 C ATOM 1882 CD2 TRP A 120 -1.984 13.620 -0.775 1.00 0.00 C ATOM 1883 NE1 TRP A 120 -1.567 15.814 -0.587 1.00 0.00 N ATOM 1884 CE2 TRP A 120 -2.532 14.861 -0.394 1.00 0.00 C ATOM 1885 CE3 TRP A 120 -2.777 12.474 -0.673 1.00 0.00 C ATOM 1886 CZ2 TRP A 120 -3.835 14.984 0.081 1.00 0.00 C ATOM 1887 CZ3 TRP A 120 -4.070 12.598 -0.201 1.00 0.00 C ATOM 1888 CH2 TRP A 120 -4.589 13.846 0.171 1.00 0.00 C ATOM 0 H TRP A 120 -1.720 12.575 -3.154 1.00 0.00 H new ATOM 0 HA TRP A 120 0.991 13.531 -3.639 1.00 0.00 H new ATOM 0 HB2 TRP A 120 0.093 11.876 -1.282 1.00 0.00 H new ATOM 0 HB3 TRP A 120 1.336 13.109 -1.350 1.00 0.00 H new ATOM 0 HD1 TRP A 120 0.485 15.721 -1.322 1.00 0.00 H new ATOM 0 HE1 TRP A 120 -1.672 16.811 -0.398 1.00 0.00 H new ATOM 0 HE3 TRP A 120 -2.386 11.508 -0.958 1.00 0.00 H new ATOM 0 HZ2 TRP A 120 -4.237 15.944 0.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 120 -4.691 11.718 -0.117 1.00 0.00 H new ATOM 0 HH2 TRP A 120 -5.604 13.910 0.536 1.00 0.00 H new ATOM 1899 N TYR A 121 0.841 11.052 -4.916 1.00 0.00 N ATOM 1900 CA TYR A 121 1.376 9.797 -5.432 1.00 0.00 C ATOM 1901 C TYR A 121 2.808 9.978 -5.927 1.00 0.00 C ATOM 1902 O TYR A 121 3.044 10.575 -6.977 1.00 0.00 O ATOM 1903 CB TYR A 121 0.495 9.272 -6.567 1.00 0.00 C ATOM 1904 CG TYR A 121 1.121 8.135 -7.342 1.00 0.00 C ATOM 1905 CD1 TYR A 121 1.723 7.068 -6.686 1.00 0.00 C ATOM 1906 CD2 TYR A 121 1.110 8.126 -8.732 1.00 0.00 C ATOM 1907 CE1 TYR A 121 2.296 6.027 -7.390 1.00 0.00 C ATOM 1908 CE2 TYR A 121 1.679 7.088 -9.445 1.00 0.00 C ATOM 1909 CZ TYR A 121 2.272 6.042 -8.769 1.00 0.00 C ATOM 1910 OH TYR A 121 2.841 5.006 -9.474 1.00 0.00 O ATOM 0 H TYR A 121 0.364 11.625 -5.612 1.00 0.00 H new ATOM 0 HA TYR A 121 1.381 9.071 -4.619 1.00 0.00 H new ATOM 0 HB2 TYR A 121 -0.456 8.938 -6.153 1.00 0.00 H new ATOM 0 HB3 TYR A 121 0.274 10.090 -7.253 1.00 0.00 H new ATOM 0 HD1 TYR A 121 1.743 7.053 -5.606 1.00 0.00 H new ATOM 0 HD2 TYR A 121 0.649 8.945 -9.264 1.00 0.00 H new ATOM 0 HE1 TYR A 121 2.760 5.206 -6.864 1.00 0.00 H new ATOM 0 HE2 TYR A 121 1.660 7.096 -10.525 1.00 0.00 H new ATOM 0 HH TYR A 121 2.738 5.169 -10.435 1.00 0.00 H new ATOM 1920 N VAL A 122 3.761 9.456 -5.161 1.00 0.00 N ATOM 1921 CA VAL A 122 5.171 9.557 -5.520 1.00 0.00 C ATOM 1922 C VAL A 122 5.876 8.214 -5.362 1.00 0.00 C ATOM 1923 O VAL A 122 6.207 7.785 -4.257 1.00 0.00 O ATOM 1924 CB VAL A 122 5.895 10.609 -4.660 1.00 0.00 C ATOM 1925 CG1 VAL A 122 7.376 10.654 -5.006 1.00 0.00 C ATOM 1926 CG2 VAL A 122 5.255 11.977 -4.841 1.00 0.00 C ATOM 0 H VAL A 122 3.582 8.959 -4.288 1.00 0.00 H new ATOM 0 HA VAL A 122 5.210 9.864 -6.565 1.00 0.00 H new ATOM 0 HB VAL A 122 5.800 10.325 -3.612 1.00 0.00 H new ATOM 0 HG11 VAL A 122 7.871 11.403 -4.388 1.00 0.00 H new ATOM 0 HG12 VAL A 122 7.823 9.677 -4.820 1.00 0.00 H new ATOM 0 HG13 VAL A 122 7.496 10.914 -6.058 1.00 0.00 H new ATOM 0 HG21 VAL A 122 5.779 12.708 -4.226 1.00 0.00 H new ATOM 0 HG22 VAL A 122 5.318 12.272 -5.888 1.00 0.00 H new ATOM 0 HG23 VAL A 122 4.209 11.932 -4.539 1.00 0.00 H new ATOM 1936 N PRO A 123 6.112 7.533 -6.493 1.00 0.00 N ATOM 1937 CA PRO A 123 6.781 6.229 -6.507 1.00 0.00 C ATOM 1938 C PRO A 123 8.258 6.331 -6.144 1.00 0.00 C ATOM 1939 O PRO A 123 8.894 7.371 -6.320 1.00 0.00 O ATOM 1940 CB PRO A 123 6.616 5.761 -7.955 1.00 0.00 C ATOM 1941 CG PRO A 123 6.464 7.015 -8.743 1.00 0.00 C ATOM 1942 CD PRO A 123 5.744 7.983 -7.846 1.00 0.00 C ATOM 0 HA PRO A 123 6.356 5.545 -5.773 1.00 0.00 H new ATOM 0 HB2 PRO A 123 7.481 5.187 -8.287 1.00 0.00 H new ATOM 0 HB3 PRO A 123 5.745 5.116 -8.066 1.00 0.00 H new ATOM 0 HG2 PRO A 123 7.436 7.408 -9.042 1.00 0.00 H new ATOM 0 HG3 PRO A 123 5.898 6.835 -9.657 1.00 0.00 H new ATOM 0 HD2 PRO A 123 6.060 9.010 -8.028 1.00 0.00 H new ATOM 0 HD3 PRO A 123 4.666 7.949 -8.001 1.00 0.00 H new ATOM 1950 N PRO A 124 8.820 5.229 -5.626 1.00 0.00 N ATOM 1951 CA PRO A 124 10.230 5.170 -5.230 1.00 0.00 C ATOM 1952 C PRO A 124 11.171 5.205 -6.429 1.00 0.00 C ATOM 1953 O PRO A 124 12.228 5.834 -6.381 1.00 0.00 O ATOM 1954 CB PRO A 124 10.338 3.827 -4.504 1.00 0.00 C ATOM 1955 CG PRO A 124 9.238 2.998 -5.073 1.00 0.00 C ATOM 1956 CD PRO A 124 8.121 3.954 -5.389 1.00 0.00 C ATOM 0 HA PRO A 124 10.518 6.025 -4.619 1.00 0.00 H new ATOM 0 HB2 PRO A 124 11.310 3.364 -4.672 1.00 0.00 H new ATOM 0 HB3 PRO A 124 10.225 3.949 -3.427 1.00 0.00 H new ATOM 0 HG2 PRO A 124 9.568 2.473 -5.970 1.00 0.00 H new ATOM 0 HG3 PRO A 124 8.913 2.239 -4.361 1.00 0.00 H new ATOM 0 HD2 PRO A 124 7.556 3.636 -6.265 1.00 0.00 H new ATOM 0 HD3 PRO A 124 7.413 4.031 -4.564 1.00 0.00 H new ATOM 1964 N GLU A 125 10.780 4.525 -7.502 1.00 0.00 N ATOM 1965 CA GLU A 125 11.591 4.479 -8.713 1.00 0.00 C ATOM 1966 C GLU A 125 12.238 5.834 -8.987 1.00 0.00 C ATOM 1967 O GLU A 125 13.304 5.912 -9.596 1.00 0.00 O ATOM 1968 CB GLU A 125 10.736 4.059 -9.911 1.00 0.00 C ATOM 1969 CG GLU A 125 9.827 5.162 -10.427 1.00 0.00 C ATOM 1970 CD GLU A 125 9.062 4.752 -11.670 1.00 0.00 C ATOM 1971 OE1 GLU A 125 8.308 3.759 -11.603 1.00 0.00 O ATOM 1972 OE2 GLU A 125 9.217 5.427 -12.710 1.00 0.00 O ATOM 0 H GLU A 125 9.908 3.999 -7.557 1.00 0.00 H new ATOM 0 HA GLU A 125 12.380 3.742 -8.562 1.00 0.00 H new ATOM 0 HB2 GLU A 125 11.392 3.733 -10.718 1.00 0.00 H new ATOM 0 HB3 GLU A 125 10.127 3.200 -9.629 1.00 0.00 H new ATOM 0 HG2 GLU A 125 9.120 5.441 -9.645 1.00 0.00 H new ATOM 0 HG3 GLU A 125 10.424 6.047 -10.648 1.00 0.00 H new ATOM 1979 N GLN A 126 11.584 6.898 -8.532 1.00 0.00 N ATOM 1980 CA GLN A 126 12.094 8.250 -8.729 1.00 0.00 C ATOM 1981 C GLN A 126 12.825 8.742 -7.485 1.00 0.00 C ATOM 1982 O GLN A 126 13.841 9.429 -7.581 1.00 0.00 O ATOM 1983 CB GLN A 126 10.949 9.204 -9.074 1.00 0.00 C ATOM 1984 CG GLN A 126 10.571 9.194 -10.547 1.00 0.00 C ATOM 1985 CD GLN A 126 10.027 10.527 -11.019 1.00 0.00 C ATOM 1986 OE1 GLN A 126 9.261 11.184 -10.313 1.00 0.00 O ATOM 1987 NE2 GLN A 126 10.421 10.936 -12.220 1.00 0.00 N ATOM 0 H GLN A 126 10.700 6.850 -8.025 1.00 0.00 H new ATOM 0 HA GLN A 126 12.801 8.228 -9.558 1.00 0.00 H new ATOM 0 HB2 GLN A 126 10.074 8.937 -8.481 1.00 0.00 H new ATOM 0 HB3 GLN A 126 11.232 10.217 -8.787 1.00 0.00 H new ATOM 0 HG2 GLN A 126 11.447 8.932 -11.141 1.00 0.00 H new ATOM 0 HG3 GLN A 126 9.825 8.419 -10.721 1.00 0.00 H new ATOM 0 HE21 GLN A 126 11.057 10.360 -12.772 1.00 0.00 H new ATOM 0 HE22 GLN A 126 10.088 11.826 -12.590 1.00 0.00 H new ATOM 1996 N ALA A 127 12.299 8.387 -6.317 1.00 0.00 N ATOM 1997 CA ALA A 127 12.903 8.792 -5.053 1.00 0.00 C ATOM 1998 C ALA A 127 14.356 8.338 -4.969 1.00 0.00 C ATOM 1999 O ALA A 127 15.248 9.131 -4.665 1.00 0.00 O ATOM 2000 CB ALA A 127 12.105 8.232 -3.884 1.00 0.00 C ATOM 0 H ALA A 127 11.457 7.820 -6.220 1.00 0.00 H new ATOM 0 HA ALA A 127 12.886 9.881 -5.003 1.00 0.00 H new ATOM 0 HB1 ALA A 127 12.567 8.542 -2.947 1.00 0.00 H new ATOM 0 HB2 ALA A 127 11.083 8.609 -3.927 1.00 0.00 H new ATOM 0 HB3 ALA A 127 12.093 7.144 -3.940 1.00 0.00 H new ATOM 2006 N LYS A 128 14.589 7.058 -5.239 1.00 0.00 N ATOM 2007 CA LYS A 128 15.934 6.498 -5.194 1.00 0.00 C ATOM 2008 C LYS A 128 16.381 6.045 -6.581 1.00 0.00 C ATOM 2009 O LYS A 128 17.228 6.679 -7.209 1.00 0.00 O ATOM 2010 CB LYS A 128 15.987 5.320 -4.219 1.00 0.00 C ATOM 2011 CG LYS A 128 15.987 5.739 -2.759 1.00 0.00 C ATOM 2012 CD LYS A 128 17.358 6.224 -2.318 1.00 0.00 C ATOM 2013 CE LYS A 128 17.372 6.591 -0.843 1.00 0.00 C ATOM 2014 NZ LYS A 128 18.534 7.455 -0.497 1.00 0.00 N ATOM 0 H LYS A 128 13.862 6.388 -5.492 1.00 0.00 H new ATOM 0 HA LYS A 128 16.613 7.277 -4.849 1.00 0.00 H new ATOM 0 HB2 LYS A 128 15.132 4.669 -4.402 1.00 0.00 H new ATOM 0 HB3 LYS A 128 16.883 4.733 -4.420 1.00 0.00 H new ATOM 0 HG2 LYS A 128 15.254 6.531 -2.607 1.00 0.00 H new ATOM 0 HG3 LYS A 128 15.681 4.897 -2.138 1.00 0.00 H new ATOM 0 HD2 LYS A 128 18.098 5.447 -2.507 1.00 0.00 H new ATOM 0 HD3 LYS A 128 17.647 7.091 -2.912 1.00 0.00 H new ATOM 0 HE2 LYS A 128 16.447 7.108 -0.589 1.00 0.00 H new ATOM 0 HE3 LYS A 128 17.404 5.682 -0.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 18.507 7.683 0.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 19.418 6.952 -0.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 18.490 8.334 -1.051 1.00 0.00 H new ATOM 2028 N SER A 129 15.804 4.944 -7.052 1.00 0.00 N ATOM 2029 CA SER A 129 16.145 4.404 -8.363 1.00 0.00 C ATOM 2030 C SER A 129 15.205 3.263 -8.742 1.00 0.00 C ATOM 2031 O SER A 129 14.622 2.612 -7.877 1.00 0.00 O ATOM 2032 CB SER A 129 17.594 3.912 -8.375 1.00 0.00 C ATOM 2033 OG SER A 129 18.136 3.955 -9.683 1.00 0.00 O ATOM 0 H SER A 129 15.099 4.409 -6.546 1.00 0.00 H new ATOM 0 HA SER A 129 16.034 5.202 -9.097 1.00 0.00 H new ATOM 0 HB2 SER A 129 18.196 4.529 -7.708 1.00 0.00 H new ATOM 0 HB3 SER A 129 17.638 2.892 -7.993 1.00 0.00 H new ATOM 0 HG SER A 129 19.063 3.637 -9.664 1.00 0.00 H new ATOM 2039 N GLY A 130 15.065 3.028 -10.043 1.00 0.00 N ATOM 2040 CA GLY A 130 14.195 1.967 -10.516 1.00 0.00 C ATOM 2041 C GLY A 130 13.600 2.267 -11.877 1.00 0.00 C ATOM 2042 O GLY A 130 13.532 3.418 -12.308 1.00 0.00 O ATOM 0 H GLY A 130 15.539 3.553 -10.778 1.00 0.00 H new ATOM 0 HA2 GLY A 130 14.758 1.035 -10.567 1.00 0.00 H new ATOM 0 HA3 GLY A 130 13.390 1.814 -9.797 1.00 0.00 H new ATOM 2046 N PRO A 131 13.157 1.213 -12.579 1.00 0.00 N ATOM 2047 CA PRO A 131 12.558 1.345 -13.910 1.00 0.00 C ATOM 2048 C PRO A 131 11.189 2.016 -13.867 1.00 0.00 C ATOM 2049 O PRO A 131 10.558 2.091 -12.813 1.00 0.00 O ATOM 2050 CB PRO A 131 12.428 -0.105 -14.385 1.00 0.00 C ATOM 2051 CG PRO A 131 12.353 -0.908 -13.133 1.00 0.00 C ATOM 2052 CD PRO A 131 13.206 -0.187 -12.126 1.00 0.00 C ATOM 0 HA PRO A 131 13.160 1.972 -14.567 1.00 0.00 H new ATOM 0 HB2 PRO A 131 11.537 -0.243 -14.998 1.00 0.00 H new ATOM 0 HB3 PRO A 131 13.282 -0.400 -14.994 1.00 0.00 H new ATOM 0 HG2 PRO A 131 11.324 -0.991 -12.784 1.00 0.00 H new ATOM 0 HG3 PRO A 131 12.717 -1.922 -13.298 1.00 0.00 H new ATOM 0 HD2 PRO A 131 12.814 -0.296 -11.115 1.00 0.00 H new ATOM 0 HD3 PRO A 131 14.226 -0.571 -12.115 1.00 0.00 H new ATOM 2060 N SER A 132 10.736 2.501 -15.018 1.00 0.00 N ATOM 2061 CA SER A 132 9.443 3.169 -15.110 1.00 0.00 C ATOM 2062 C SER A 132 8.303 2.175 -14.914 1.00 0.00 C ATOM 2063 O SER A 132 8.277 1.112 -15.534 1.00 0.00 O ATOM 2064 CB SER A 132 9.300 3.865 -16.466 1.00 0.00 C ATOM 2065 OG SER A 132 10.160 4.988 -16.555 1.00 0.00 O ATOM 0 H SER A 132 11.245 2.444 -15.900 1.00 0.00 H new ATOM 0 HA SER A 132 9.391 3.916 -14.318 1.00 0.00 H new ATOM 0 HB2 SER A 132 9.531 3.161 -17.266 1.00 0.00 H new ATOM 0 HB3 SER A 132 8.267 4.182 -16.609 1.00 0.00 H new ATOM 0 HG SER A 132 10.052 5.414 -17.431 1.00 0.00 H new ATOM 2071 N SER A 133 7.361 2.529 -14.045 1.00 0.00 N ATOM 2072 CA SER A 133 6.219 1.667 -13.763 1.00 0.00 C ATOM 2073 C SER A 133 4.964 2.183 -14.459 1.00 0.00 C ATOM 2074 O SER A 133 4.795 3.386 -14.649 1.00 0.00 O ATOM 2075 CB SER A 133 5.980 1.580 -12.254 1.00 0.00 C ATOM 2076 OG SER A 133 6.945 0.750 -11.631 1.00 0.00 O ATOM 0 H SER A 133 7.366 3.406 -13.525 1.00 0.00 H new ATOM 0 HA SER A 133 6.443 0.672 -14.147 1.00 0.00 H new ATOM 0 HB2 SER A 133 6.019 2.578 -11.818 1.00 0.00 H new ATOM 0 HB3 SER A 133 4.981 1.188 -12.063 1.00 0.00 H new ATOM 0 HG SER A 133 6.771 0.713 -10.667 1.00 0.00 H new ATOM 2082 N GLY A 134 4.084 1.260 -14.839 1.00 0.00 N ATOM 2083 CA GLY A 134 2.855 1.640 -15.511 1.00 0.00 C ATOM 2084 C GLY A 134 1.833 2.232 -14.560 1.00 0.00 C ATOM 2085 O GLY A 134 1.079 1.478 -13.947 1.00 0.00 O ATOM 0 H GLY A 134 4.201 0.257 -14.693 1.00 0.00 H new ATOM 0 HA2 GLY A 134 3.081 2.365 -16.293 1.00 0.00 H new ATOM 0 HA3 GLY A 134 2.427 0.765 -16.001 1.00 0.00 H new TER 2089 GLY A 134 HETATM 2090 ZN ZN A 401 -9.463 0.639 8.818 1.00 0.00 ZN