USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 862 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 71 SER OG : rot 36:sc= 1.74 USER MOD Set 1.2: A 74 SER OG : rot -108:sc= -0.638 USER MOD Set 2.1: A 2 LYS NZ :NH3+ -130:sc= -1.01 (180deg=-1.48!) USER MOD Set 2.2: A 26 TYR OH : rot 150:sc= -0.654 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.585 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 95:sc= -0.103 USER MOD Single : A 18 SER OG : rot 180:sc= 0.0125 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -49:sc= -0.29! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -3.55 K(o=-3.5,f=-9.2!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= -5.2! K(o=-5.2!,f=-1.8) USER MOD Single : A 80 THR OG1 : rot -68:sc= -0.22! USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot -120:sc= -0.82 USER MOD Single : A 114 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0753) USER MOD Single : A 115 HIS : no HD1:sc= -1.7 K(o=-1.7,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -0.253 0.466 14.937 1.00 0.00 N ATOM 21 CA LYS A 2 0.248 0.213 13.592 1.00 0.00 C ATOM 22 C LYS A 2 -0.878 -0.234 12.664 1.00 0.00 C ATOM 23 O LYS A 2 -1.630 -1.157 12.982 1.00 0.00 O ATOM 24 CB LYS A 2 1.350 -0.841 13.628 1.00 0.00 C ATOM 25 CG LYS A 2 2.724 -0.298 13.270 1.00 0.00 C ATOM 26 CD LYS A 2 3.557 -0.021 14.511 1.00 0.00 C ATOM 27 CE LYS A 2 5.043 -0.171 14.229 1.00 0.00 C ATOM 28 NZ LYS A 2 5.357 -1.473 13.577 1.00 0.00 N ATOM 0 HA LYS A 2 0.661 1.144 13.203 1.00 0.00 H new ATOM 0 HB2 LYS A 2 1.390 -1.279 14.626 1.00 0.00 H new ATOM 0 HB3 LYS A 2 1.095 -1.645 12.937 1.00 0.00 H new ATOM 0 HG2 LYS A 2 3.244 -1.014 12.634 1.00 0.00 H new ATOM 0 HG3 LYS A 2 2.614 0.620 12.693 1.00 0.00 H new ATOM 0 HD2 LYS A 2 3.354 0.988 14.869 1.00 0.00 H new ATOM 0 HD3 LYS A 2 3.266 -0.707 15.307 1.00 0.00 H new ATOM 0 HE2 LYS A 2 5.375 0.645 13.587 1.00 0.00 H new ATOM 0 HE3 LYS A 2 5.600 -0.089 15.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 6.137 -1.936 14.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.516 -2.085 13.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 5.637 -1.308 12.589 1.00 0.00 H new ATOM 42 N ARG A 3 -0.989 0.427 11.516 1.00 0.00 N ATOM 43 CA ARG A 3 -2.022 0.101 10.539 1.00 0.00 C ATOM 44 C ARG A 3 -1.497 0.279 9.118 1.00 0.00 C ATOM 45 O ARG A 3 -0.827 1.264 8.814 1.00 0.00 O ATOM 46 CB ARG A 3 -3.255 0.983 10.751 1.00 0.00 C ATOM 47 CG ARG A 3 -3.560 1.270 12.213 1.00 0.00 C ATOM 48 CD ARG A 3 -2.747 2.446 12.729 1.00 0.00 C ATOM 49 NE ARG A 3 -3.501 3.257 13.684 1.00 0.00 N ATOM 50 CZ ARG A 3 -3.187 4.509 14.004 1.00 0.00 C ATOM 51 NH1 ARG A 3 -2.134 5.099 13.451 1.00 0.00 N ATOM 52 NH2 ARG A 3 -3.926 5.175 14.880 1.00 0.00 N ATOM 0 H ARG A 3 -0.375 1.193 11.239 1.00 0.00 H new ATOM 0 HA ARG A 3 -2.303 -0.943 10.680 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -3.109 1.928 10.228 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.119 0.498 10.298 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -4.623 1.482 12.330 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -3.343 0.385 12.812 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -1.838 2.077 13.205 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -2.437 3.069 11.890 1.00 0.00 H new ATOM 0 HE ARG A 3 -4.316 2.838 14.131 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -1.561 4.592 12.777 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -1.898 6.060 13.700 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -4.736 4.727 15.309 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -3.685 6.135 15.125 1.00 0.00 H new ATOM 66 N VAL A 4 -1.800 -0.678 8.251 1.00 0.00 N ATOM 67 CA VAL A 4 -1.355 -0.616 6.863 1.00 0.00 C ATOM 68 C VAL A 4 -2.525 -0.822 5.904 1.00 0.00 C ATOM 69 O VAL A 4 -3.497 -1.501 6.234 1.00 0.00 O ATOM 70 CB VAL A 4 -0.261 -1.665 6.582 1.00 0.00 C ATOM 71 CG1 VAL A 4 0.294 -1.495 5.176 1.00 0.00 C ATOM 72 CG2 VAL A 4 0.852 -1.563 7.618 1.00 0.00 C ATOM 0 H VAL A 4 -2.351 -1.505 8.482 1.00 0.00 H new ATOM 0 HA VAL A 4 -0.936 0.377 6.700 1.00 0.00 H new ATOM 0 HB VAL A 4 -0.706 -2.657 6.654 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.065 -2.244 4.996 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.510 -1.620 4.450 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.725 -0.499 5.073 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.616 -2.310 7.406 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.296 -0.568 7.578 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.441 -1.737 8.612 1.00 0.00 H new ATOM 82 N LEU A 5 -2.436 -0.217 4.721 1.00 0.00 N ATOM 83 CA LEU A 5 -3.499 -0.324 3.725 1.00 0.00 C ATOM 84 C LEU A 5 -3.035 -1.090 2.489 1.00 0.00 C ATOM 85 O LEU A 5 -1.892 -0.956 2.051 1.00 0.00 O ATOM 86 CB LEU A 5 -3.983 1.069 3.319 1.00 0.00 C ATOM 87 CG LEU A 5 -5.105 1.096 2.277 1.00 0.00 C ATOM 88 CD1 LEU A 5 -6.431 0.695 2.905 1.00 0.00 C ATOM 89 CD2 LEU A 5 -5.210 2.476 1.644 1.00 0.00 C ATOM 0 H LEU A 5 -1.640 0.351 4.430 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.321 -0.878 4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.327 1.590 4.212 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.134 1.631 2.929 1.00 0.00 H new ATOM 0 HG LEU A 5 -4.865 0.375 1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.215 0.721 2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.351 -0.314 3.311 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -6.679 1.390 3.707 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.012 2.478 0.906 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.426 3.215 2.416 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.268 2.725 1.156 1.00 0.00 H new ATOM 101 N VAL A 6 -3.938 -1.891 1.931 1.00 0.00 N ATOM 102 CA VAL A 6 -3.642 -2.684 0.744 1.00 0.00 C ATOM 103 C VAL A 6 -4.522 -2.271 -0.432 1.00 0.00 C ATOM 104 O VAL A 6 -5.696 -1.947 -0.258 1.00 0.00 O ATOM 105 CB VAL A 6 -3.855 -4.186 1.006 1.00 0.00 C ATOM 106 CG1 VAL A 6 -3.364 -5.014 -0.174 1.00 0.00 C ATOM 107 CG2 VAL A 6 -3.165 -4.604 2.294 1.00 0.00 C ATOM 0 H VAL A 6 -4.887 -2.008 2.286 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.596 -2.500 0.501 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.923 -4.369 1.120 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.524 -6.072 0.032 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.915 -4.732 -1.071 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.301 -4.831 -0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.326 -5.669 2.464 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.096 -4.407 2.215 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.578 -4.037 3.128 1.00 0.00 H new ATOM 117 N VAL A 7 -3.950 -2.303 -1.629 1.00 0.00 N ATOM 118 CA VAL A 7 -4.681 -1.949 -2.838 1.00 0.00 C ATOM 119 C VAL A 7 -4.439 -2.987 -3.926 1.00 0.00 C ATOM 120 O VAL A 7 -3.302 -3.211 -4.337 1.00 0.00 O ATOM 121 CB VAL A 7 -4.273 -0.558 -3.361 1.00 0.00 C ATOM 122 CG1 VAL A 7 -5.203 -0.110 -4.474 1.00 0.00 C ATOM 123 CG2 VAL A 7 -4.260 0.455 -2.225 1.00 0.00 C ATOM 0 H VAL A 7 -2.979 -2.571 -1.788 1.00 0.00 H new ATOM 0 HA VAL A 7 -5.740 -1.924 -2.582 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.265 -0.625 -3.770 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.898 0.874 -4.829 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.156 -0.823 -5.297 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.224 -0.059 -4.096 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.970 1.432 -2.612 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.255 0.520 -1.784 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.546 0.139 -1.464 1.00 0.00 H new ATOM 133 N ASP A 8 -5.509 -3.631 -4.384 1.00 0.00 N ATOM 134 CA ASP A 8 -5.390 -4.653 -5.413 1.00 0.00 C ATOM 135 C ASP A 8 -6.696 -4.782 -6.191 1.00 0.00 C ATOM 136 O ASP A 8 -7.739 -4.313 -5.745 1.00 0.00 O ATOM 137 CB ASP A 8 -5.000 -5.991 -4.771 1.00 0.00 C ATOM 138 CG ASP A 8 -5.093 -7.162 -5.732 1.00 0.00 C ATOM 139 OD1 ASP A 8 -6.224 -7.589 -6.041 1.00 0.00 O ATOM 140 OD2 ASP A 8 -4.032 -7.651 -6.174 1.00 0.00 O ATOM 0 H ASP A 8 -6.461 -3.463 -4.060 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.609 -4.363 -6.116 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.981 -5.921 -4.390 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.648 -6.179 -3.915 1.00 0.00 H new ATOM 145 N ASP A 9 -6.632 -5.417 -7.355 1.00 0.00 N ATOM 146 CA ASP A 9 -7.809 -5.600 -8.195 1.00 0.00 C ATOM 147 C ASP A 9 -8.578 -6.860 -7.798 1.00 0.00 C ATOM 148 O ASP A 9 -8.926 -7.683 -8.643 1.00 0.00 O ATOM 149 CB ASP A 9 -7.400 -5.667 -9.670 1.00 0.00 C ATOM 150 CG ASP A 9 -8.588 -5.829 -10.599 1.00 0.00 C ATOM 151 OD1 ASP A 9 -9.244 -4.812 -10.908 1.00 0.00 O ATOM 152 OD2 ASP A 9 -8.862 -6.974 -11.018 1.00 0.00 O ATOM 0 H ASP A 9 -5.775 -5.815 -7.739 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.468 -4.744 -8.049 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.858 -4.759 -9.934 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.714 -6.501 -9.815 1.00 0.00 H new ATOM 157 N GLU A 10 -8.842 -6.998 -6.503 1.00 0.00 N ATOM 158 CA GLU A 10 -9.574 -8.149 -5.986 1.00 0.00 C ATOM 159 C GLU A 10 -10.767 -7.698 -5.148 1.00 0.00 C ATOM 160 O GLU A 10 -11.066 -6.506 -5.071 1.00 0.00 O ATOM 161 CB GLU A 10 -8.650 -9.037 -5.149 1.00 0.00 C ATOM 162 CG GLU A 10 -8.068 -10.209 -5.921 1.00 0.00 C ATOM 163 CD GLU A 10 -8.992 -11.412 -5.938 1.00 0.00 C ATOM 164 OE1 GLU A 10 -8.914 -12.233 -5.001 1.00 0.00 O ATOM 165 OE2 GLU A 10 -9.792 -11.531 -6.889 1.00 0.00 O ATOM 0 H GLU A 10 -8.559 -6.325 -5.790 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.944 -8.726 -6.834 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.834 -8.430 -4.757 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -9.205 -9.417 -4.291 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.863 -9.899 -6.945 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -7.114 -10.494 -5.477 1.00 0.00 H new ATOM 217 N THR A 14 -6.044 -9.641 0.456 1.00 0.00 N ATOM 218 CA THR A 14 -5.145 -10.371 -0.424 1.00 0.00 C ATOM 219 C THR A 14 -4.511 -11.540 0.322 1.00 0.00 C ATOM 220 O THR A 14 -3.921 -11.358 1.387 1.00 0.00 O ATOM 221 CB THR A 14 -4.057 -9.440 -0.966 1.00 0.00 C ATOM 222 OG1 THR A 14 -3.049 -9.227 0.005 1.00 0.00 O ATOM 223 CG2 THR A 14 -4.582 -8.083 -1.389 1.00 0.00 C ATOM 0 HA THR A 14 -5.721 -10.760 -1.263 1.00 0.00 H new ATOM 0 HB THR A 14 -3.658 -9.946 -1.845 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.363 -8.631 -0.361 1.00 0.00 H new ATOM 0 HG21 THR A 14 -3.758 -7.475 -1.763 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.326 -8.210 -2.176 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.040 -7.587 -0.533 1.00 0.00 H new ATOM 231 N SER A 15 -4.642 -12.739 -0.236 1.00 0.00 N ATOM 232 CA SER A 15 -4.087 -13.940 0.384 1.00 0.00 C ATOM 233 C SER A 15 -2.654 -13.708 0.858 1.00 0.00 C ATOM 234 O SER A 15 -1.876 -13.018 0.199 1.00 0.00 O ATOM 235 CB SER A 15 -4.126 -15.110 -0.600 1.00 0.00 C ATOM 236 OG SER A 15 -4.407 -16.328 0.067 1.00 0.00 O ATOM 0 H SER A 15 -5.128 -12.906 -1.117 1.00 0.00 H new ATOM 0 HA SER A 15 -4.699 -14.180 1.254 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.885 -14.925 -1.360 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.169 -15.187 -1.117 1.00 0.00 H new ATOM 0 HG SER A 15 -4.428 -17.060 -0.584 1.00 0.00 H new ATOM 242 N SER A 16 -2.318 -14.295 2.009 1.00 0.00 N ATOM 243 CA SER A 16 -0.981 -14.175 2.599 1.00 0.00 C ATOM 244 C SER A 16 -0.866 -12.942 3.498 1.00 0.00 C ATOM 245 O SER A 16 -0.193 -12.982 4.526 1.00 0.00 O ATOM 246 CB SER A 16 0.102 -14.134 1.515 1.00 0.00 C ATOM 247 OG SER A 16 -0.257 -14.935 0.403 1.00 0.00 O ATOM 0 H SER A 16 -2.962 -14.865 2.557 1.00 0.00 H new ATOM 0 HA SER A 16 -0.827 -15.061 3.215 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.257 -13.105 1.191 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.048 -14.484 1.929 1.00 0.00 H new ATOM 0 HG SER A 16 -0.693 -14.377 -0.275 1.00 0.00 H new ATOM 253 N LEU A 17 -1.521 -11.850 3.112 1.00 0.00 N ATOM 254 CA LEU A 17 -1.477 -10.620 3.897 1.00 0.00 C ATOM 255 C LEU A 17 -2.288 -10.771 5.179 1.00 0.00 C ATOM 256 O LEU A 17 -1.817 -10.436 6.266 1.00 0.00 O ATOM 257 CB LEU A 17 -2.013 -9.440 3.068 1.00 0.00 C ATOM 258 CG LEU A 17 -0.990 -8.369 2.640 1.00 0.00 C ATOM 259 CD1 LEU A 17 -1.301 -7.039 3.309 1.00 0.00 C ATOM 260 CD2 LEU A 17 0.443 -8.790 2.945 1.00 0.00 C ATOM 0 H LEU A 17 -2.086 -11.792 2.265 1.00 0.00 H new ATOM 0 HA LEU A 17 -0.439 -10.421 4.166 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.481 -9.841 2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.798 -8.949 3.644 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.075 -8.255 1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.569 -6.294 2.996 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.299 -6.711 3.020 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.258 -7.157 4.392 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.129 -8.005 2.626 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.553 -8.955 4.017 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.673 -9.712 2.410 1.00 0.00 H new ATOM 272 N SER A 18 -3.508 -11.279 5.045 1.00 0.00 N ATOM 273 CA SER A 18 -4.387 -11.475 6.193 1.00 0.00 C ATOM 274 C SER A 18 -3.671 -12.234 7.308 1.00 0.00 C ATOM 275 O SER A 18 -3.439 -11.693 8.388 1.00 0.00 O ATOM 276 CB SER A 18 -5.648 -12.233 5.772 1.00 0.00 C ATOM 277 OG SER A 18 -5.348 -13.229 4.811 1.00 0.00 O ATOM 0 H SER A 18 -3.912 -11.563 4.152 1.00 0.00 H new ATOM 0 HA SER A 18 -4.670 -10.493 6.573 1.00 0.00 H new ATOM 0 HB2 SER A 18 -6.108 -12.694 6.646 1.00 0.00 H new ATOM 0 HB3 SER A 18 -6.376 -11.534 5.360 1.00 0.00 H new ATOM 0 HG SER A 18 -6.170 -13.700 4.560 1.00 0.00 H new ATOM 283 N ALA A 19 -3.324 -13.489 7.037 1.00 0.00 N ATOM 284 CA ALA A 19 -2.634 -14.325 8.016 1.00 0.00 C ATOM 285 C ALA A 19 -1.433 -13.602 8.620 1.00 0.00 C ATOM 286 O ALA A 19 -1.192 -13.679 9.825 1.00 0.00 O ATOM 287 CB ALA A 19 -2.196 -15.633 7.373 1.00 0.00 C ATOM 0 H ALA A 19 -3.509 -13.950 6.146 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.332 -14.541 8.824 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.683 -16.248 8.112 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -3.071 -16.167 7.001 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.520 -15.423 6.544 1.00 0.00 H new ATOM 293 N ILE A 20 -0.683 -12.903 7.776 1.00 0.00 N ATOM 294 CA ILE A 20 0.493 -12.168 8.226 1.00 0.00 C ATOM 295 C ILE A 20 0.104 -11.057 9.197 1.00 0.00 C ATOM 296 O ILE A 20 0.406 -11.129 10.387 1.00 0.00 O ATOM 297 CB ILE A 20 1.269 -11.569 7.030 1.00 0.00 C ATOM 298 CG1 ILE A 20 1.969 -12.679 6.249 1.00 0.00 C ATOM 299 CG2 ILE A 20 2.280 -10.530 7.494 1.00 0.00 C ATOM 300 CD1 ILE A 20 2.468 -12.238 4.892 1.00 0.00 C ATOM 0 H ILE A 20 -0.869 -12.830 6.776 1.00 0.00 H new ATOM 0 HA ILE A 20 1.141 -12.876 8.742 1.00 0.00 H new ATOM 0 HB ILE A 20 0.553 -11.071 6.376 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.811 -13.049 6.834 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.279 -13.513 6.120 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.810 -10.127 6.631 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.761 -9.723 8.011 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.994 -10.995 8.173 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.954 -13.076 4.393 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.627 -11.895 4.289 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.183 -11.424 5.014 1.00 0.00 H new ATOM 312 N LEU A 21 -0.568 -10.032 8.684 1.00 0.00 N ATOM 313 CA LEU A 21 -0.999 -8.911 9.511 1.00 0.00 C ATOM 314 C LEU A 21 -1.692 -9.405 10.777 1.00 0.00 C ATOM 315 O LEU A 21 -1.621 -8.767 11.827 1.00 0.00 O ATOM 316 CB LEU A 21 -1.930 -8.012 8.710 1.00 0.00 C ATOM 317 CG LEU A 21 -1.341 -7.525 7.387 1.00 0.00 C ATOM 318 CD1 LEU A 21 -2.321 -7.743 6.244 1.00 0.00 C ATOM 319 CD2 LEU A 21 -0.941 -6.062 7.494 1.00 0.00 C ATOM 0 H LEU A 21 -0.826 -9.954 7.700 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.121 -8.339 9.811 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.854 -8.553 8.507 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.194 -7.147 9.318 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.446 -8.109 7.171 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.879 -7.388 5.313 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.547 -8.806 6.157 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.240 -7.191 6.442 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.523 -5.729 6.544 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.818 -5.462 7.735 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.195 -5.945 8.280 1.00 0.00 H new ATOM 331 N GLU A 22 -2.357 -10.553 10.669 1.00 0.00 N ATOM 332 CA GLU A 22 -3.056 -11.143 11.801 1.00 0.00 C ATOM 333 C GLU A 22 -2.066 -11.670 12.835 1.00 0.00 C ATOM 334 O GLU A 22 -2.358 -11.696 14.031 1.00 0.00 O ATOM 335 CB GLU A 22 -3.965 -12.271 11.328 1.00 0.00 C ATOM 336 CG GLU A 22 -5.158 -12.509 12.236 1.00 0.00 C ATOM 337 CD GLU A 22 -5.258 -13.946 12.709 1.00 0.00 C ATOM 338 OE1 GLU A 22 -4.487 -14.329 13.613 1.00 0.00 O ATOM 339 OE2 GLU A 22 -6.108 -14.689 12.174 1.00 0.00 O ATOM 0 H GLU A 22 -2.425 -11.092 9.806 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.663 -10.368 12.269 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.323 -12.042 10.324 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.383 -13.190 11.257 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.087 -11.850 13.102 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.072 -12.241 11.706 1.00 0.00 H new ATOM 346 N GLU A 23 -0.891 -12.084 12.368 1.00 0.00 N ATOM 347 CA GLU A 23 0.141 -12.603 13.252 1.00 0.00 C ATOM 348 C GLU A 23 0.908 -11.456 13.900 1.00 0.00 C ATOM 349 O GLU A 23 1.336 -11.550 15.051 1.00 0.00 O ATOM 350 CB GLU A 23 1.095 -13.507 12.464 1.00 0.00 C ATOM 351 CG GLU A 23 2.410 -13.785 13.174 1.00 0.00 C ATOM 352 CD GLU A 23 2.813 -15.245 13.112 1.00 0.00 C ATOM 353 OE1 GLU A 23 2.660 -15.858 12.034 1.00 0.00 O ATOM 354 OE2 GLU A 23 3.280 -15.776 14.141 1.00 0.00 O ATOM 0 H GLU A 23 -0.633 -12.069 11.381 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.330 -13.190 14.040 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.596 -14.455 12.260 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.305 -13.044 11.500 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.195 -13.177 12.726 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.326 -13.480 14.217 1.00 0.00 H new ATOM 361 N GLU A 24 1.077 -10.375 13.149 1.00 0.00 N ATOM 362 CA GLU A 24 1.792 -9.206 13.640 1.00 0.00 C ATOM 363 C GLU A 24 0.918 -8.381 14.580 1.00 0.00 C ATOM 364 O GLU A 24 1.399 -7.841 15.576 1.00 0.00 O ATOM 365 CB GLU A 24 2.257 -8.339 12.469 1.00 0.00 C ATOM 366 CG GLU A 24 3.296 -9.014 11.589 1.00 0.00 C ATOM 367 CD GLU A 24 4.488 -9.521 12.378 1.00 0.00 C ATOM 368 OE1 GLU A 24 5.133 -8.705 13.069 1.00 0.00 O ATOM 369 OE2 GLU A 24 4.776 -10.734 12.303 1.00 0.00 O ATOM 0 H GLU A 24 0.727 -10.285 12.195 1.00 0.00 H new ATOM 0 HA GLU A 24 2.662 -9.554 14.197 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.394 -8.073 11.859 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.671 -7.409 12.858 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.833 -9.848 11.061 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.639 -8.309 10.832 1.00 0.00 H new ATOM 376 N GLY A 25 -0.366 -8.284 14.254 1.00 0.00 N ATOM 377 CA GLY A 25 -1.284 -7.519 15.074 1.00 0.00 C ATOM 378 C GLY A 25 -1.467 -6.107 14.557 1.00 0.00 C ATOM 379 O GLY A 25 -1.462 -5.148 15.328 1.00 0.00 O ATOM 0 H GLY A 25 -0.787 -8.723 13.435 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.250 -8.023 15.102 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.912 -7.485 16.098 1.00 0.00 H new ATOM 383 N TYR A 26 -1.622 -5.985 13.243 1.00 0.00 N ATOM 384 CA TYR A 26 -1.799 -4.687 12.607 1.00 0.00 C ATOM 385 C TYR A 26 -3.258 -4.441 12.247 1.00 0.00 C ATOM 386 O TYR A 26 -4.136 -5.251 12.550 1.00 0.00 O ATOM 387 CB TYR A 26 -0.959 -4.607 11.331 1.00 0.00 C ATOM 388 CG TYR A 26 0.503 -4.311 11.566 1.00 0.00 C ATOM 389 CD1 TYR A 26 1.297 -5.162 12.324 1.00 0.00 C ATOM 390 CD2 TYR A 26 1.092 -3.181 11.016 1.00 0.00 C ATOM 391 CE1 TYR A 26 2.635 -4.891 12.529 1.00 0.00 C ATOM 392 CE2 TYR A 26 2.429 -2.905 11.215 1.00 0.00 C ATOM 393 CZ TYR A 26 3.198 -3.762 11.972 1.00 0.00 C ATOM 394 OH TYR A 26 4.531 -3.490 12.174 1.00 0.00 O ATOM 0 H TYR A 26 -1.628 -6.774 12.596 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.476 -3.927 13.318 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.044 -5.552 10.794 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.375 -3.834 10.684 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.861 -6.049 12.760 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.493 -2.506 10.422 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.239 -5.561 13.123 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.871 -2.021 10.779 1.00 0.00 H new ATOM 0 HH TYR A 26 4.886 -3.001 11.402 1.00 0.00 H new ATOM 404 N HIS A 27 -3.496 -3.328 11.569 1.00 0.00 N ATOM 405 CA HIS A 27 -4.829 -2.960 11.117 1.00 0.00 C ATOM 406 C HIS A 27 -4.830 -2.881 9.595 1.00 0.00 C ATOM 407 O HIS A 27 -4.712 -1.801 9.016 1.00 0.00 O ATOM 408 CB HIS A 27 -5.252 -1.620 11.725 1.00 0.00 C ATOM 409 CG HIS A 27 -6.530 -1.692 12.502 1.00 0.00 C ATOM 410 ND1 HIS A 27 -7.764 -1.419 11.950 1.00 0.00 N ATOM 411 CD2 HIS A 27 -6.761 -2.008 13.798 1.00 0.00 C ATOM 412 CE1 HIS A 27 -8.698 -1.563 12.873 1.00 0.00 C ATOM 413 NE2 HIS A 27 -8.116 -1.920 14.002 1.00 0.00 N ATOM 0 H HIS A 27 -2.772 -2.656 11.317 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.545 -3.715 11.443 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.458 -1.261 12.380 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.363 -0.887 10.926 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.018 -2.279 14.534 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -9.758 -1.414 12.728 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -8.595 -2.101 14.884 1.00 0.00 H new ATOM 422 N PRO A 28 -4.924 -4.042 8.929 1.00 0.00 N ATOM 423 CA PRO A 28 -4.896 -4.121 7.473 1.00 0.00 C ATOM 424 C PRO A 28 -6.249 -3.890 6.815 1.00 0.00 C ATOM 425 O PRO A 28 -7.254 -4.494 7.190 1.00 0.00 O ATOM 426 CB PRO A 28 -4.423 -5.550 7.226 1.00 0.00 C ATOM 427 CG PRO A 28 -4.948 -6.330 8.384 1.00 0.00 C ATOM 428 CD PRO A 28 -5.030 -5.375 9.550 1.00 0.00 C ATOM 0 HA PRO A 28 -4.261 -3.345 7.044 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.807 -5.936 6.282 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.336 -5.603 7.173 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.929 -6.748 8.156 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.291 -7.168 8.616 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.968 -5.488 10.093 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.225 -5.547 10.264 1.00 0.00 H new ATOM 436 N ASP A 29 -6.248 -3.029 5.807 1.00 0.00 N ATOM 437 CA ASP A 29 -7.447 -2.716 5.045 1.00 0.00 C ATOM 438 C ASP A 29 -7.128 -2.866 3.565 1.00 0.00 C ATOM 439 O ASP A 29 -6.102 -2.378 3.102 1.00 0.00 O ATOM 440 CB ASP A 29 -7.925 -1.295 5.347 1.00 0.00 C ATOM 441 CG ASP A 29 -9.172 -0.926 4.567 1.00 0.00 C ATOM 442 OD1 ASP A 29 -9.040 -0.517 3.395 1.00 0.00 O ATOM 443 OD2 ASP A 29 -10.281 -1.046 5.130 1.00 0.00 O ATOM 0 H ASP A 29 -5.416 -2.528 5.495 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.249 -3.400 5.324 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -8.126 -1.202 6.414 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.129 -0.589 5.110 1.00 0.00 H new ATOM 448 N THR A 30 -7.984 -3.556 2.825 1.00 0.00 N ATOM 449 CA THR A 30 -7.737 -3.766 1.405 1.00 0.00 C ATOM 450 C THR A 30 -8.846 -3.186 0.540 1.00 0.00 C ATOM 451 O THR A 30 -10.030 -3.307 0.856 1.00 0.00 O ATOM 452 CB THR A 30 -7.579 -5.257 1.118 1.00 0.00 C ATOM 453 OG1 THR A 30 -8.833 -5.915 1.163 1.00 0.00 O ATOM 454 CG2 THR A 30 -6.658 -5.953 2.095 1.00 0.00 C ATOM 0 H THR A 30 -8.845 -3.975 3.178 1.00 0.00 H new ATOM 0 HA THR A 30 -6.815 -3.243 1.152 1.00 0.00 H new ATOM 0 HB THR A 30 -7.142 -5.317 0.121 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.709 -6.869 0.975 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.587 -7.010 1.838 1.00 0.00 H new ATOM 0 HG22 THR A 30 -5.668 -5.500 2.047 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.055 -5.851 3.105 1.00 0.00 H new ATOM 462 N ALA A 31 -8.446 -2.568 -0.565 1.00 0.00 N ATOM 463 CA ALA A 31 -9.388 -1.975 -1.501 1.00 0.00 C ATOM 464 C ALA A 31 -9.404 -2.768 -2.803 1.00 0.00 C ATOM 465 O ALA A 31 -8.900 -3.891 -2.858 1.00 0.00 O ATOM 466 CB ALA A 31 -9.027 -0.520 -1.764 1.00 0.00 C ATOM 0 H ALA A 31 -7.468 -2.465 -0.834 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.386 -2.007 -1.064 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.741 -0.089 -2.466 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.058 0.037 -0.828 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.024 -0.465 -2.187 1.00 0.00 H new ATOM 472 N LYS A 32 -9.980 -2.188 -3.848 1.00 0.00 N ATOM 473 CA LYS A 32 -10.050 -2.860 -5.141 1.00 0.00 C ATOM 474 C LYS A 32 -9.288 -2.083 -6.209 1.00 0.00 C ATOM 475 O LYS A 32 -8.825 -2.655 -7.196 1.00 0.00 O ATOM 476 CB LYS A 32 -11.506 -3.048 -5.573 1.00 0.00 C ATOM 477 CG LYS A 32 -12.457 -3.304 -4.415 1.00 0.00 C ATOM 478 CD LYS A 32 -13.906 -3.313 -4.874 1.00 0.00 C ATOM 479 CE LYS A 32 -14.824 -3.886 -3.807 1.00 0.00 C ATOM 480 NZ LYS A 32 -16.259 -3.623 -4.108 1.00 0.00 N ATOM 0 H LYS A 32 -10.403 -1.260 -3.828 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.584 -3.839 -5.030 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.834 -2.159 -6.112 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.564 -3.883 -6.271 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.216 -4.260 -3.950 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.320 -2.536 -3.654 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.218 -2.297 -5.117 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -13.996 -3.901 -5.787 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.661 -4.961 -3.727 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.571 -3.452 -2.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -16.852 -4.030 -3.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -16.421 -2.597 -4.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -16.508 -4.058 -5.019 1.00 0.00 H new ATOM 494 N THR A 33 -9.159 -0.777 -6.009 1.00 0.00 N ATOM 495 CA THR A 33 -8.452 0.077 -6.952 1.00 0.00 C ATOM 496 C THR A 33 -8.117 1.415 -6.308 1.00 0.00 C ATOM 497 O THR A 33 -8.534 1.694 -5.183 1.00 0.00 O ATOM 498 CB THR A 33 -9.293 0.300 -8.211 1.00 0.00 C ATOM 499 OG1 THR A 33 -10.152 -0.801 -8.445 1.00 0.00 O ATOM 500 CG2 THR A 33 -8.460 0.506 -9.457 1.00 0.00 C ATOM 0 H THR A 33 -9.537 -0.286 -5.199 1.00 0.00 H new ATOM 0 HA THR A 33 -7.525 -0.421 -7.234 1.00 0.00 H new ATOM 0 HB THR A 33 -9.863 1.209 -8.019 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.640 -1.634 -8.382 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.117 0.658 -10.313 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.823 1.381 -9.328 1.00 0.00 H new ATOM 0 HG23 THR A 33 -7.839 -0.373 -9.629 1.00 0.00 H new ATOM 508 N LEU A 34 -7.366 2.243 -7.023 1.00 0.00 N ATOM 509 CA LEU A 34 -6.984 3.553 -6.512 1.00 0.00 C ATOM 510 C LEU A 34 -8.220 4.384 -6.189 1.00 0.00 C ATOM 511 O LEU A 34 -8.195 5.230 -5.296 1.00 0.00 O ATOM 512 CB LEU A 34 -6.099 4.281 -7.523 1.00 0.00 C ATOM 513 CG LEU A 34 -4.877 3.488 -7.992 1.00 0.00 C ATOM 514 CD1 LEU A 34 -4.333 4.065 -9.291 1.00 0.00 C ATOM 515 CD2 LEU A 34 -3.802 3.479 -6.914 1.00 0.00 C ATOM 0 H LEU A 34 -7.010 2.032 -7.955 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.416 3.412 -5.592 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.702 4.540 -8.393 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.759 5.217 -7.080 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.183 2.459 -8.178 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.464 3.489 -9.610 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.103 4.017 -10.061 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.042 5.104 -9.134 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.940 2.911 -7.264 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.497 4.502 -6.695 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.198 3.017 -6.009 1.00 0.00 H new ATOM 527 N ARG A 35 -9.307 4.125 -6.908 1.00 0.00 N ATOM 528 CA ARG A 35 -10.556 4.837 -6.680 1.00 0.00 C ATOM 529 C ARG A 35 -11.144 4.436 -5.332 1.00 0.00 C ATOM 530 O ARG A 35 -11.530 5.288 -4.529 1.00 0.00 O ATOM 531 CB ARG A 35 -11.556 4.538 -7.800 1.00 0.00 C ATOM 532 CG ARG A 35 -11.471 5.507 -8.968 1.00 0.00 C ATOM 533 CD ARG A 35 -12.025 6.875 -8.603 1.00 0.00 C ATOM 534 NE ARG A 35 -13.098 7.289 -9.503 1.00 0.00 N ATOM 535 CZ ARG A 35 -13.975 8.249 -9.218 1.00 0.00 C ATOM 536 NH1 ARG A 35 -13.909 8.897 -8.062 1.00 0.00 N ATOM 537 NH2 ARG A 35 -14.921 8.563 -10.093 1.00 0.00 N ATOM 0 H ARG A 35 -9.347 3.428 -7.652 1.00 0.00 H new ATOM 0 HA ARG A 35 -10.352 5.908 -6.676 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.386 3.525 -8.166 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.566 4.564 -7.390 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.432 5.607 -9.283 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -12.024 5.104 -9.816 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -12.399 6.853 -7.579 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.222 7.611 -8.634 1.00 0.00 H new ATOM 0 HE ARG A 35 -13.180 6.815 -10.402 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -13.183 8.661 -7.386 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -14.584 9.632 -7.850 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -14.976 8.069 -10.984 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -15.593 9.298 -9.875 1.00 0.00 H new ATOM 551 N GLU A 36 -11.193 3.130 -5.088 1.00 0.00 N ATOM 552 CA GLU A 36 -11.716 2.608 -3.833 1.00 0.00 C ATOM 553 C GLU A 36 -10.835 3.044 -2.669 1.00 0.00 C ATOM 554 O GLU A 36 -11.324 3.312 -1.572 1.00 0.00 O ATOM 555 CB GLU A 36 -11.805 1.079 -3.885 1.00 0.00 C ATOM 556 CG GLU A 36 -13.130 0.531 -3.379 1.00 0.00 C ATOM 557 CD GLU A 36 -14.093 0.200 -4.502 1.00 0.00 C ATOM 558 OE1 GLU A 36 -13.815 0.587 -5.658 1.00 0.00 O ATOM 559 OE2 GLU A 36 -15.127 -0.444 -4.227 1.00 0.00 O ATOM 0 H GLU A 36 -10.877 2.415 -5.743 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.718 3.010 -3.683 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -11.653 0.749 -4.913 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.995 0.655 -3.291 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.946 -0.366 -2.788 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.591 1.262 -2.714 1.00 0.00 H new ATOM 566 N ALA A 37 -9.530 3.125 -2.920 1.00 0.00 N ATOM 567 CA ALA A 37 -8.584 3.541 -1.894 1.00 0.00 C ATOM 568 C ALA A 37 -8.847 4.981 -1.480 1.00 0.00 C ATOM 569 O ALA A 37 -9.022 5.273 -0.297 1.00 0.00 O ATOM 570 CB ALA A 37 -7.156 3.380 -2.391 1.00 0.00 C ATOM 0 H ALA A 37 -9.107 2.908 -3.823 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.718 2.903 -1.021 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.462 3.695 -1.612 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.973 2.334 -2.639 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -7.008 3.995 -3.279 1.00 0.00 H new ATOM 576 N GLU A 38 -8.885 5.881 -2.460 1.00 0.00 N ATOM 577 CA GLU A 38 -9.139 7.292 -2.188 1.00 0.00 C ATOM 578 C GLU A 38 -10.384 7.452 -1.325 1.00 0.00 C ATOM 579 O GLU A 38 -10.420 8.284 -0.419 1.00 0.00 O ATOM 580 CB GLU A 38 -9.302 8.070 -3.493 1.00 0.00 C ATOM 581 CG GLU A 38 -8.047 8.096 -4.349 1.00 0.00 C ATOM 582 CD GLU A 38 -8.340 8.410 -5.804 1.00 0.00 C ATOM 583 OE1 GLU A 38 -8.970 9.454 -6.071 1.00 0.00 O ATOM 584 OE2 GLU A 38 -7.939 7.610 -6.676 1.00 0.00 O ATOM 0 H GLU A 38 -8.744 5.659 -3.445 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.283 7.695 -1.647 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.115 7.629 -4.069 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.594 9.094 -3.261 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.356 8.840 -3.952 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.547 7.130 -4.283 1.00 0.00 H new ATOM 591 N LYS A 39 -11.396 6.635 -1.601 1.00 0.00 N ATOM 592 CA LYS A 39 -12.632 6.676 -0.832 1.00 0.00 C ATOM 593 C LYS A 39 -12.336 6.381 0.633 1.00 0.00 C ATOM 594 O LYS A 39 -12.851 7.047 1.531 1.00 0.00 O ATOM 595 CB LYS A 39 -13.638 5.663 -1.384 1.00 0.00 C ATOM 596 CG LYS A 39 -14.934 5.598 -0.592 1.00 0.00 C ATOM 597 CD LYS A 39 -14.893 4.494 0.453 1.00 0.00 C ATOM 598 CE LYS A 39 -16.220 4.368 1.183 1.00 0.00 C ATOM 599 NZ LYS A 39 -16.324 5.327 2.317 1.00 0.00 N ATOM 0 H LYS A 39 -11.384 5.940 -2.348 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.067 7.672 -0.914 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.867 5.918 -2.419 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.178 4.675 -1.393 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.112 6.556 -0.104 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.769 5.427 -1.272 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.649 3.546 -0.027 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.100 4.701 1.171 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.037 4.543 0.483 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.333 3.350 1.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.243 5.209 2.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.560 5.144 2.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -16.242 6.300 1.958 1.00 0.00 H new ATOM 613 N LYS A 40 -11.490 5.381 0.860 1.00 0.00 N ATOM 614 CA LYS A 40 -11.104 4.994 2.211 1.00 0.00 C ATOM 615 C LYS A 40 -10.141 6.016 2.809 1.00 0.00 C ATOM 616 O LYS A 40 -10.308 6.450 3.949 1.00 0.00 O ATOM 617 CB LYS A 40 -10.457 3.612 2.195 1.00 0.00 C ATOM 618 CG LYS A 40 -11.454 2.472 2.327 1.00 0.00 C ATOM 619 CD LYS A 40 -11.581 2.007 3.768 1.00 0.00 C ATOM 620 CE LYS A 40 -13.018 1.648 4.112 1.00 0.00 C ATOM 621 NZ LYS A 40 -13.167 1.261 5.542 1.00 0.00 N ATOM 0 H LYS A 40 -11.058 4.823 0.123 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.000 4.960 2.830 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.901 3.491 1.266 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -9.735 3.548 3.009 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.428 2.795 1.961 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.139 1.637 1.701 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.940 1.141 3.930 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.231 2.793 4.437 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.666 2.498 3.897 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -13.349 0.826 3.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -14.161 1.024 5.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.568 0.434 5.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.876 2.054 6.148 1.00 0.00 H new ATOM 635 N ILE A 41 -9.133 6.394 2.029 1.00 0.00 N ATOM 636 CA ILE A 41 -8.141 7.366 2.475 1.00 0.00 C ATOM 637 C ILE A 41 -8.762 8.747 2.662 1.00 0.00 C ATOM 638 O ILE A 41 -8.197 9.602 3.346 1.00 0.00 O ATOM 639 CB ILE A 41 -6.970 7.470 1.479 1.00 0.00 C ATOM 640 CG1 ILE A 41 -6.378 6.085 1.205 1.00 0.00 C ATOM 641 CG2 ILE A 41 -5.900 8.413 2.009 1.00 0.00 C ATOM 642 CD1 ILE A 41 -5.370 6.070 0.078 1.00 0.00 C ATOM 0 H ILE A 41 -8.982 6.041 1.084 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.763 7.012 3.434 1.00 0.00 H new ATOM 0 HB ILE A 41 -7.349 7.875 0.541 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.901 5.717 2.113 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.187 5.394 0.967 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.081 8.474 1.292 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.329 9.404 2.155 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.523 8.037 2.960 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.993 5.057 -0.059 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.848 6.407 -0.842 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.542 6.735 0.322 1.00 0.00 H new ATOM 654 N LYS A 42 -9.926 8.963 2.056 1.00 0.00 N ATOM 655 CA LYS A 42 -10.616 10.242 2.164 1.00 0.00 C ATOM 656 C LYS A 42 -10.973 10.553 3.616 1.00 0.00 C ATOM 657 O LYS A 42 -11.220 11.706 3.970 1.00 0.00 O ATOM 658 CB LYS A 42 -11.875 10.239 1.303 1.00 0.00 C ATOM 659 CG LYS A 42 -11.867 11.296 0.211 1.00 0.00 C ATOM 660 CD LYS A 42 -12.527 12.583 0.676 1.00 0.00 C ATOM 661 CE LYS A 42 -11.856 13.805 0.070 1.00 0.00 C ATOM 662 NZ LYS A 42 -12.413 14.140 -1.269 1.00 0.00 N ATOM 0 H LYS A 42 -10.410 8.269 1.486 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.942 11.020 1.805 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.990 9.256 0.845 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -12.743 10.396 1.943 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.840 11.501 -0.091 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.387 10.916 -0.668 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.582 12.572 0.401 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.482 12.644 1.763 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.982 14.657 0.738 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.785 13.624 -0.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.928 14.979 -1.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.270 13.338 -1.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.430 14.338 -1.182 1.00 0.00 H new ATOM 676 N GLU A 43 -10.998 9.519 4.453 1.00 0.00 N ATOM 677 CA GLU A 43 -11.326 9.686 5.862 1.00 0.00 C ATOM 678 C GLU A 43 -10.287 9.003 6.748 1.00 0.00 C ATOM 679 O GLU A 43 -9.756 9.609 7.678 1.00 0.00 O ATOM 680 CB GLU A 43 -12.716 9.118 6.156 1.00 0.00 C ATOM 681 CG GLU A 43 -13.781 9.579 5.174 1.00 0.00 C ATOM 682 CD GLU A 43 -15.077 8.806 5.316 1.00 0.00 C ATOM 683 OE1 GLU A 43 -15.018 7.598 5.629 1.00 0.00 O ATOM 684 OE2 GLU A 43 -16.153 9.408 5.114 1.00 0.00 O ATOM 0 H GLU A 43 -10.795 8.558 4.178 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.323 10.753 6.085 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.665 8.029 6.140 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -13.013 9.409 7.164 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.976 10.640 5.327 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.405 9.468 4.157 1.00 0.00 H new ATOM 691 N LEU A 44 -10.003 7.738 6.451 1.00 0.00 N ATOM 692 CA LEU A 44 -9.029 6.973 7.221 1.00 0.00 C ATOM 693 C LEU A 44 -7.610 7.462 6.943 1.00 0.00 C ATOM 694 O LEU A 44 -7.125 7.378 5.814 1.00 0.00 O ATOM 695 CB LEU A 44 -9.147 5.482 6.889 1.00 0.00 C ATOM 696 CG LEU A 44 -9.685 4.607 8.023 1.00 0.00 C ATOM 697 CD1 LEU A 44 -8.732 4.623 9.208 1.00 0.00 C ATOM 698 CD2 LEU A 44 -11.071 5.075 8.444 1.00 0.00 C ATOM 0 H LEU A 44 -10.433 7.222 5.683 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.240 7.120 8.280 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.799 5.369 6.023 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.164 5.111 6.599 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.763 3.582 7.661 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.131 3.995 10.005 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.759 4.241 8.898 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.621 5.644 9.572 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.439 4.442 9.251 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.017 6.108 8.788 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.750 5.011 7.594 1.00 0.00 H new ATOM 710 N PHE A 45 -6.950 7.969 7.978 1.00 0.00 N ATOM 711 CA PHE A 45 -5.585 8.467 7.843 1.00 0.00 C ATOM 712 C PHE A 45 -4.580 7.324 7.946 1.00 0.00 C ATOM 713 O PHE A 45 -3.797 7.254 8.894 1.00 0.00 O ATOM 714 CB PHE A 45 -5.294 9.520 8.914 1.00 0.00 C ATOM 715 CG PHE A 45 -4.026 10.289 8.668 1.00 0.00 C ATOM 716 CD1 PHE A 45 -3.966 11.251 7.674 1.00 0.00 C ATOM 717 CD2 PHE A 45 -2.894 10.048 9.432 1.00 0.00 C ATOM 718 CE1 PHE A 45 -2.802 11.961 7.445 1.00 0.00 C ATOM 719 CE2 PHE A 45 -1.727 10.754 9.208 1.00 0.00 C ATOM 720 CZ PHE A 45 -1.682 11.711 8.213 1.00 0.00 C ATOM 0 H PHE A 45 -7.337 8.046 8.919 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.486 8.927 6.860 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.130 10.218 8.963 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.230 9.031 9.886 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.839 11.449 7.070 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.925 9.300 10.211 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.769 12.710 6.667 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.852 10.558 9.810 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.771 12.264 8.036 1.00 0.00 H new ATOM 730 N PHE A 46 -4.610 6.430 6.964 1.00 0.00 N ATOM 731 CA PHE A 46 -3.703 5.288 6.942 1.00 0.00 C ATOM 732 C PHE A 46 -2.243 5.748 6.948 1.00 0.00 C ATOM 733 O PHE A 46 -1.878 6.668 6.217 1.00 0.00 O ATOM 734 CB PHE A 46 -3.963 4.430 5.702 1.00 0.00 C ATOM 735 CG PHE A 46 -5.162 3.533 5.818 1.00 0.00 C ATOM 736 CD1 PHE A 46 -5.094 2.352 6.540 1.00 0.00 C ATOM 737 CD2 PHE A 46 -6.355 3.868 5.199 1.00 0.00 C ATOM 738 CE1 PHE A 46 -6.195 1.522 6.643 1.00 0.00 C ATOM 739 CE2 PHE A 46 -7.459 3.041 5.299 1.00 0.00 C ATOM 740 CZ PHE A 46 -7.378 1.867 6.020 1.00 0.00 C ATOM 0 H PHE A 46 -5.252 6.474 6.173 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.887 4.696 7.839 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.095 5.085 4.841 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.083 3.818 5.505 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.171 2.077 7.028 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.424 4.785 4.632 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.130 0.605 7.210 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.384 3.314 4.813 1.00 0.00 H new ATOM 0 HZ PHE A 46 -8.239 1.219 6.097 1.00 0.00 H new ATOM 750 N PRO A 47 -1.383 5.108 7.765 1.00 0.00 N ATOM 751 CA PRO A 47 0.032 5.456 7.842 1.00 0.00 C ATOM 752 C PRO A 47 0.838 4.829 6.707 1.00 0.00 C ATOM 753 O PRO A 47 1.786 5.427 6.200 1.00 0.00 O ATOM 754 CB PRO A 47 0.484 4.890 9.195 1.00 0.00 C ATOM 755 CG PRO A 47 -0.638 4.039 9.711 1.00 0.00 C ATOM 756 CD PRO A 47 -1.718 3.998 8.660 1.00 0.00 C ATOM 0 HA PRO A 47 0.188 6.531 7.752 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.394 4.301 9.082 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.710 5.695 9.894 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.282 3.032 9.930 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -1.029 4.449 10.642 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -1.723 3.046 8.130 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.708 4.124 9.099 1.00 0.00 H new ATOM 764 N VAL A 48 0.451 3.621 6.312 1.00 0.00 N ATOM 765 CA VAL A 48 1.125 2.909 5.236 1.00 0.00 C ATOM 766 C VAL A 48 0.132 2.465 4.169 1.00 0.00 C ATOM 767 O VAL A 48 -0.950 1.972 4.483 1.00 0.00 O ATOM 768 CB VAL A 48 1.874 1.681 5.772 1.00 0.00 C ATOM 769 CG1 VAL A 48 2.758 1.074 4.694 1.00 0.00 C ATOM 770 CG2 VAL A 48 2.689 2.068 6.991 1.00 0.00 C ATOM 0 H VAL A 48 -0.331 3.113 6.725 1.00 0.00 H new ATOM 0 HA VAL A 48 1.843 3.599 4.792 1.00 0.00 H new ATOM 0 HB VAL A 48 1.146 0.924 6.065 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.279 0.205 5.097 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.142 0.768 3.848 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.488 1.813 4.363 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.219 1.193 7.367 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.410 2.838 6.717 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.025 2.451 7.766 1.00 0.00 H new ATOM 780 N ILE A 49 0.507 2.651 2.909 1.00 0.00 N ATOM 781 CA ILE A 49 -0.357 2.276 1.794 1.00 0.00 C ATOM 782 C ILE A 49 0.430 1.555 0.703 1.00 0.00 C ATOM 783 O ILE A 49 1.177 2.185 -0.047 1.00 0.00 O ATOM 784 CB ILE A 49 -1.037 3.510 1.155 1.00 0.00 C ATOM 785 CG1 ILE A 49 -1.250 4.625 2.187 1.00 0.00 C ATOM 786 CG2 ILE A 49 -2.360 3.111 0.519 1.00 0.00 C ATOM 787 CD1 ILE A 49 -2.321 4.321 3.210 1.00 0.00 C ATOM 0 H ILE A 49 1.401 3.058 2.633 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.117 1.614 2.208 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.376 3.897 0.379 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.309 4.810 2.705 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.512 5.545 1.664 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.828 3.988 0.073 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.181 2.363 -0.253 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.019 2.696 1.281 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.410 5.158 3.903 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.274 4.166 2.704 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.052 3.420 3.762 1.00 0.00 H new ATOM 799 N VAL A 50 0.263 0.235 0.604 1.00 0.00 N ATOM 800 CA VAL A 50 0.962 -0.542 -0.412 1.00 0.00 C ATOM 801 C VAL A 50 0.019 -0.905 -1.554 1.00 0.00 C ATOM 802 O VAL A 50 -1.094 -1.380 -1.325 1.00 0.00 O ATOM 803 CB VAL A 50 1.552 -1.837 0.178 1.00 0.00 C ATOM 804 CG1 VAL A 50 2.435 -2.537 -0.844 1.00 0.00 C ATOM 805 CG2 VAL A 50 2.328 -1.538 1.453 1.00 0.00 C ATOM 0 H VAL A 50 -0.346 -0.312 1.212 1.00 0.00 H new ATOM 0 HA VAL A 50 1.775 0.079 -0.789 1.00 0.00 H new ATOM 0 HB VAL A 50 0.730 -2.507 0.430 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.842 -3.449 -0.409 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.844 -2.788 -1.725 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.252 -1.876 -1.132 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.737 -2.465 1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.142 -0.848 1.230 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.661 -1.087 2.188 1.00 0.00 H new ATOM 815 N LEU A 51 0.467 -0.677 -2.782 1.00 0.00 N ATOM 816 CA LEU A 51 -0.341 -0.979 -3.959 1.00 0.00 C ATOM 817 C LEU A 51 0.076 -2.305 -4.587 1.00 0.00 C ATOM 818 O LEU A 51 1.250 -2.676 -4.560 1.00 0.00 O ATOM 819 CB LEU A 51 -0.220 0.148 -4.987 1.00 0.00 C ATOM 820 CG LEU A 51 -0.951 -0.095 -6.309 1.00 0.00 C ATOM 821 CD1 LEU A 51 -2.422 0.270 -6.181 1.00 0.00 C ATOM 822 CD2 LEU A 51 -0.299 0.699 -7.432 1.00 0.00 C ATOM 0 H LEU A 51 1.385 -0.284 -2.990 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.380 -1.064 -3.641 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.603 1.067 -4.542 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.836 0.313 -5.199 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.881 -1.155 -6.551 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.925 0.091 -7.131 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.882 -0.342 -5.405 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.514 1.323 -5.915 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.832 0.514 -8.365 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.338 1.762 -7.196 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.741 0.390 -7.540 1.00 0.00 H new ATOM 834 N ASP A 52 -0.896 -3.009 -5.155 1.00 0.00 N ATOM 835 CA ASP A 52 -0.644 -4.294 -5.798 1.00 0.00 C ATOM 836 C ASP A 52 -1.234 -4.310 -7.204 1.00 0.00 C ATOM 837 O ASP A 52 -2.452 -4.377 -7.377 1.00 0.00 O ATOM 838 CB ASP A 52 -1.240 -5.431 -4.967 1.00 0.00 C ATOM 839 CG ASP A 52 -0.368 -6.671 -4.976 1.00 0.00 C ATOM 840 OD1 ASP A 52 0.858 -6.537 -4.772 1.00 0.00 O ATOM 841 OD2 ASP A 52 -0.910 -7.777 -5.183 1.00 0.00 O ATOM 0 H ASP A 52 -1.871 -2.710 -5.183 1.00 0.00 H new ATOM 0 HA ASP A 52 0.434 -4.438 -5.869 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.377 -5.094 -3.940 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.228 -5.682 -5.354 1.00 0.00 H new ATOM 846 N VAL A 53 -0.365 -4.238 -8.206 1.00 0.00 N ATOM 847 CA VAL A 53 -0.801 -4.233 -9.598 1.00 0.00 C ATOM 848 C VAL A 53 -1.100 -5.644 -10.096 1.00 0.00 C ATOM 849 O VAL A 53 -0.372 -6.188 -10.928 1.00 0.00 O ATOM 850 CB VAL A 53 0.260 -3.589 -10.513 1.00 0.00 C ATOM 851 CG1 VAL A 53 -0.276 -3.431 -11.927 1.00 0.00 C ATOM 852 CG2 VAL A 53 0.708 -2.246 -9.952 1.00 0.00 C ATOM 0 H VAL A 53 0.646 -4.182 -8.081 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.716 -3.642 -9.638 1.00 0.00 H new ATOM 0 HB VAL A 53 1.127 -4.249 -10.550 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.488 -2.975 -12.557 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.540 -4.410 -12.328 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.161 -2.795 -11.912 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.457 -1.808 -10.612 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.150 -1.577 -9.881 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.138 -2.391 -8.961 1.00 0.00 H new ATOM 862 N TRP A 54 -2.181 -6.231 -9.592 1.00 0.00 N ATOM 863 CA TRP A 54 -2.578 -7.574 -10.000 1.00 0.00 C ATOM 864 C TRP A 54 -3.129 -7.548 -11.424 1.00 0.00 C ATOM 865 O TRP A 54 -2.434 -7.905 -12.374 1.00 0.00 O ATOM 866 CB TRP A 54 -3.621 -8.138 -9.027 1.00 0.00 C ATOM 867 CG TRP A 54 -4.283 -9.397 -9.505 1.00 0.00 C ATOM 868 CD1 TRP A 54 -5.601 -9.727 -9.370 1.00 0.00 C ATOM 869 CD2 TRP A 54 -3.663 -10.492 -10.190 1.00 0.00 C ATOM 870 NE1 TRP A 54 -5.840 -10.958 -9.929 1.00 0.00 N ATOM 871 CE2 TRP A 54 -4.667 -11.448 -10.440 1.00 0.00 C ATOM 872 CE3 TRP A 54 -2.359 -10.758 -10.620 1.00 0.00 C ATOM 873 CZ2 TRP A 54 -4.406 -12.647 -11.098 1.00 0.00 C ATOM 874 CZ3 TRP A 54 -2.102 -11.950 -11.272 1.00 0.00 C ATOM 875 CH2 TRP A 54 -3.121 -12.881 -11.507 1.00 0.00 C ATOM 0 H TRP A 54 -2.796 -5.799 -8.902 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.703 -8.223 -9.979 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.140 -8.334 -8.068 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.386 -7.381 -8.852 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -6.347 -9.109 -8.893 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -6.743 -11.431 -9.959 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.567 -10.045 -10.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -5.190 -13.367 -11.279 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.098 -12.167 -11.606 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.888 -13.802 -12.021 1.00 0.00 H new ATOM 886 N MET A 55 -4.376 -7.108 -11.565 1.00 0.00 N ATOM 887 CA MET A 55 -5.008 -7.018 -12.875 1.00 0.00 C ATOM 888 C MET A 55 -6.021 -5.870 -12.924 1.00 0.00 C ATOM 889 O MET A 55 -7.156 -6.056 -13.363 1.00 0.00 O ATOM 890 CB MET A 55 -5.692 -8.341 -13.230 1.00 0.00 C ATOM 891 CG MET A 55 -6.865 -8.684 -12.326 1.00 0.00 C ATOM 892 SD MET A 55 -7.373 -10.408 -12.475 1.00 0.00 S ATOM 893 CE MET A 55 -9.072 -10.310 -11.915 1.00 0.00 C ATOM 0 H MET A 55 -4.967 -6.809 -10.789 1.00 0.00 H new ATOM 0 HA MET A 55 -4.229 -6.814 -13.609 1.00 0.00 H new ATOM 0 HB2 MET A 55 -6.041 -8.294 -14.261 1.00 0.00 H new ATOM 0 HB3 MET A 55 -4.958 -9.145 -13.178 1.00 0.00 H new ATOM 0 HG2 MET A 55 -6.594 -8.477 -11.291 1.00 0.00 H new ATOM 0 HG3 MET A 55 -7.708 -8.038 -12.570 1.00 0.00 H new ATOM 0 HE1 MET A 55 -9.524 -11.301 -11.950 1.00 0.00 H new ATOM 0 HE2 MET A 55 -9.097 -9.935 -10.892 1.00 0.00 H new ATOM 0 HE3 MET A 55 -9.630 -9.634 -12.563 1.00 0.00 H new ATOM 903 N PRO A 56 -5.628 -4.660 -12.473 1.00 0.00 N ATOM 904 CA PRO A 56 -6.496 -3.494 -12.465 1.00 0.00 C ATOM 905 C PRO A 56 -6.344 -2.654 -13.731 1.00 0.00 C ATOM 906 O PRO A 56 -5.874 -3.144 -14.759 1.00 0.00 O ATOM 907 CB PRO A 56 -6.006 -2.712 -11.237 1.00 0.00 C ATOM 908 CG PRO A 56 -4.656 -3.276 -10.889 1.00 0.00 C ATOM 909 CD PRO A 56 -4.316 -4.313 -11.929 1.00 0.00 C ATOM 0 HA PRO A 56 -7.552 -3.761 -12.428 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.938 -1.647 -11.456 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.700 -2.822 -10.404 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.904 -2.488 -10.874 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.671 -3.721 -9.894 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.651 -3.915 -12.696 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -3.817 -5.178 -11.492 1.00 0.00 H new ATOM 917 N ASP A 57 -6.741 -1.388 -13.650 1.00 0.00 N ATOM 918 CA ASP A 57 -6.643 -0.483 -14.789 1.00 0.00 C ATOM 919 C ASP A 57 -6.714 0.974 -14.336 1.00 0.00 C ATOM 920 O ASP A 57 -7.515 1.756 -14.850 1.00 0.00 O ATOM 921 CB ASP A 57 -7.757 -0.775 -15.794 1.00 0.00 C ATOM 922 CG ASP A 57 -7.631 0.058 -17.056 1.00 0.00 C ATOM 923 OD1 ASP A 57 -6.782 -0.278 -17.907 1.00 0.00 O ATOM 924 OD2 ASP A 57 -8.382 1.047 -17.191 1.00 0.00 O ATOM 0 H ASP A 57 -7.133 -0.966 -12.808 1.00 0.00 H new ATOM 0 HA ASP A 57 -5.679 -0.646 -15.270 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.737 -1.833 -16.057 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.723 -0.580 -15.328 1.00 0.00 H new ATOM 929 N GLY A 58 -5.872 1.332 -13.371 1.00 0.00 N ATOM 930 CA GLY A 58 -5.857 2.693 -12.868 1.00 0.00 C ATOM 931 C GLY A 58 -4.459 3.276 -12.810 1.00 0.00 C ATOM 932 O GLY A 58 -3.484 2.549 -12.619 1.00 0.00 O ATOM 0 H GLY A 58 -5.201 0.704 -12.929 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.482 3.319 -13.505 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.297 2.713 -11.871 1.00 0.00 H new ATOM 936 N ASP A 59 -4.361 4.590 -12.976 1.00 0.00 N ATOM 937 CA ASP A 59 -3.071 5.272 -12.942 1.00 0.00 C ATOM 938 C ASP A 59 -2.578 5.434 -11.508 1.00 0.00 C ATOM 939 O ASP A 59 -3.124 6.225 -10.740 1.00 0.00 O ATOM 940 CB ASP A 59 -3.178 6.642 -13.615 1.00 0.00 C ATOM 941 CG ASP A 59 -1.889 7.054 -14.296 1.00 0.00 C ATOM 942 OD1 ASP A 59 -0.810 6.828 -13.711 1.00 0.00 O ATOM 943 OD2 ASP A 59 -1.959 7.603 -15.416 1.00 0.00 O ATOM 0 H ASP A 59 -5.159 5.205 -13.136 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.351 4.662 -13.487 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.983 6.621 -14.350 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.447 7.390 -12.869 1.00 0.00 H new ATOM 948 N GLY A 60 -1.545 4.677 -11.153 1.00 0.00 N ATOM 949 CA GLY A 60 -0.998 4.749 -9.811 1.00 0.00 C ATOM 950 C GLY A 60 0.106 5.781 -9.678 1.00 0.00 C ATOM 951 O GLY A 60 0.432 6.208 -8.570 1.00 0.00 O ATOM 0 H GLY A 60 -1.077 4.015 -11.771 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.798 4.988 -9.110 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.609 3.770 -9.529 1.00 0.00 H new ATOM 955 N VAL A 61 0.685 6.185 -10.805 1.00 0.00 N ATOM 956 CA VAL A 61 1.755 7.169 -10.804 1.00 0.00 C ATOM 957 C VAL A 61 1.300 8.477 -10.165 1.00 0.00 C ATOM 958 O VAL A 61 1.879 8.933 -9.180 1.00 0.00 O ATOM 959 CB VAL A 61 2.247 7.449 -12.234 1.00 0.00 C ATOM 960 CG1 VAL A 61 3.488 8.318 -12.207 1.00 0.00 C ATOM 961 CG2 VAL A 61 2.521 6.146 -12.970 1.00 0.00 C ATOM 0 H VAL A 61 0.428 5.843 -11.731 1.00 0.00 H new ATOM 0 HA VAL A 61 2.574 6.753 -10.217 1.00 0.00 H new ATOM 0 HB VAL A 61 1.463 7.985 -12.769 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.823 8.506 -13.227 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.258 9.266 -11.720 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.277 7.808 -11.655 1.00 0.00 H new ATOM 0 HG21 VAL A 61 2.868 6.365 -13.980 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.286 5.581 -12.437 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.605 5.557 -13.021 1.00 0.00 H new ATOM 971 N ASN A 62 0.259 9.074 -10.734 1.00 0.00 N ATOM 972 CA ASN A 62 -0.278 10.317 -10.235 1.00 0.00 C ATOM 973 C ASN A 62 -0.960 10.126 -8.882 1.00 0.00 C ATOM 974 O ASN A 62 -1.122 11.078 -8.120 1.00 0.00 O ATOM 975 CB ASN A 62 -1.270 10.859 -11.255 1.00 0.00 C ATOM 976 CG ASN A 62 -2.319 9.839 -11.650 1.00 0.00 C ATOM 977 OD1 ASN A 62 -2.280 9.284 -12.748 1.00 0.00 O ATOM 978 ND2 ASN A 62 -3.268 9.587 -10.756 1.00 0.00 N ATOM 0 H ASN A 62 -0.229 8.705 -11.550 1.00 0.00 H new ATOM 0 HA ASN A 62 0.538 11.025 -10.089 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.763 11.740 -10.844 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.730 11.182 -12.145 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.002 8.911 -10.968 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.263 10.069 -9.857 1.00 0.00 H new ATOM 985 N PHE A 63 -1.361 8.891 -8.590 1.00 0.00 N ATOM 986 CA PHE A 63 -2.027 8.582 -7.329 1.00 0.00 C ATOM 987 C PHE A 63 -1.132 8.908 -6.137 1.00 0.00 C ATOM 988 O PHE A 63 -1.601 9.426 -5.123 1.00 0.00 O ATOM 989 CB PHE A 63 -2.432 7.107 -7.285 1.00 0.00 C ATOM 990 CG PHE A 63 -3.088 6.709 -5.993 1.00 0.00 C ATOM 991 CD1 PHE A 63 -4.191 7.402 -5.523 1.00 0.00 C ATOM 992 CD2 PHE A 63 -2.597 5.650 -5.246 1.00 0.00 C ATOM 993 CE1 PHE A 63 -4.794 7.046 -4.332 1.00 0.00 C ATOM 994 CE2 PHE A 63 -3.196 5.290 -4.053 1.00 0.00 C ATOM 995 CZ PHE A 63 -4.296 5.990 -3.596 1.00 0.00 C ATOM 0 H PHE A 63 -1.236 8.090 -9.209 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.922 9.201 -7.267 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.114 6.900 -8.110 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.547 6.490 -7.440 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.584 8.230 -6.094 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.737 5.100 -5.599 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.655 7.594 -3.977 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.805 4.463 -3.479 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.765 5.711 -2.664 1.00 0.00 H new ATOM 1005 N ILE A 64 0.156 8.600 -6.261 1.00 0.00 N ATOM 1006 CA ILE A 64 1.114 8.857 -5.189 1.00 0.00 C ATOM 1007 C ILE A 64 0.959 10.271 -4.631 1.00 0.00 C ATOM 1008 O ILE A 64 1.254 10.522 -3.463 1.00 0.00 O ATOM 1009 CB ILE A 64 2.566 8.650 -5.672 1.00 0.00 C ATOM 1010 CG1 ILE A 64 2.766 7.205 -6.136 1.00 0.00 C ATOM 1011 CG2 ILE A 64 3.556 8.998 -4.567 1.00 0.00 C ATOM 1012 CD1 ILE A 64 3.319 7.091 -7.538 1.00 0.00 C ATOM 0 H ILE A 64 0.561 8.172 -7.094 1.00 0.00 H new ATOM 0 HA ILE A 64 0.901 8.141 -4.396 1.00 0.00 H new ATOM 0 HB ILE A 64 2.749 9.317 -6.515 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.442 6.701 -5.446 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.811 6.681 -6.087 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.573 8.845 -4.928 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.427 10.041 -4.278 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.378 8.357 -3.704 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.434 6.039 -7.799 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.633 7.566 -8.239 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.289 7.586 -7.588 1.00 0.00 H new ATOM 1024 N ASP A 65 0.492 11.191 -5.471 1.00 0.00 N ATOM 1025 CA ASP A 65 0.297 12.572 -5.049 1.00 0.00 C ATOM 1026 C ASP A 65 -0.937 12.695 -4.164 1.00 0.00 C ATOM 1027 O ASP A 65 -0.955 13.477 -3.217 1.00 0.00 O ATOM 1028 CB ASP A 65 0.166 13.490 -6.265 1.00 0.00 C ATOM 1029 CG ASP A 65 0.563 14.920 -5.954 1.00 0.00 C ATOM 1030 OD1 ASP A 65 0.539 15.297 -4.764 1.00 0.00 O ATOM 1031 OD2 ASP A 65 0.898 15.662 -6.902 1.00 0.00 O ATOM 0 H ASP A 65 0.243 11.005 -6.443 1.00 0.00 H new ATOM 0 HA ASP A 65 1.170 12.878 -4.472 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.791 13.110 -7.073 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.864 13.471 -6.622 1.00 0.00 H new ATOM 1036 N PHE A 66 -1.962 11.908 -4.472 1.00 0.00 N ATOM 1037 CA PHE A 66 -3.192 11.922 -3.693 1.00 0.00 C ATOM 1038 C PHE A 66 -2.898 11.505 -2.256 1.00 0.00 C ATOM 1039 O PHE A 66 -3.363 12.136 -1.309 1.00 0.00 O ATOM 1040 CB PHE A 66 -4.228 10.984 -4.325 1.00 0.00 C ATOM 1041 CG PHE A 66 -5.390 10.660 -3.426 1.00 0.00 C ATOM 1042 CD1 PHE A 66 -5.318 9.601 -2.536 1.00 0.00 C ATOM 1043 CD2 PHE A 66 -6.552 11.413 -3.475 1.00 0.00 C ATOM 1044 CE1 PHE A 66 -6.384 9.299 -1.710 1.00 0.00 C ATOM 1045 CE2 PHE A 66 -7.621 11.116 -2.651 1.00 0.00 C ATOM 1046 CZ PHE A 66 -7.537 10.058 -1.768 1.00 0.00 C ATOM 0 H PHE A 66 -1.964 11.254 -5.255 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.601 12.932 -3.688 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.606 11.441 -5.240 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.735 10.056 -4.613 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.419 9.005 -2.487 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -6.623 12.241 -4.165 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.316 8.471 -1.020 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -8.521 11.711 -2.698 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.371 9.824 -1.124 1.00 0.00 H new ATOM 1056 N ILE A 67 -2.112 10.447 -2.103 1.00 0.00 N ATOM 1057 CA ILE A 67 -1.746 9.959 -0.781 1.00 0.00 C ATOM 1058 C ILE A 67 -1.048 11.057 0.017 1.00 0.00 C ATOM 1059 O ILE A 67 -1.310 11.235 1.204 1.00 0.00 O ATOM 1060 CB ILE A 67 -0.831 8.719 -0.865 1.00 0.00 C ATOM 1061 CG1 ILE A 67 -1.559 7.569 -1.565 1.00 0.00 C ATOM 1062 CG2 ILE A 67 -0.378 8.290 0.525 1.00 0.00 C ATOM 1063 CD1 ILE A 67 -1.357 7.547 -3.064 1.00 0.00 C ATOM 0 H ILE A 67 -1.717 9.912 -2.876 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.667 9.670 -0.274 1.00 0.00 H new ATOM 0 HB ILE A 67 0.052 8.982 -1.448 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -1.214 6.624 -1.146 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.625 7.642 -1.352 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.266 7.414 0.444 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.174 9.104 0.995 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.249 8.044 1.132 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.902 6.706 -3.492 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.728 8.477 -3.495 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.295 7.443 -3.287 1.00 0.00 H new ATOM 1075 N LYS A 68 -0.165 11.799 -0.644 1.00 0.00 N ATOM 1076 CA LYS A 68 0.553 12.882 0.015 1.00 0.00 C ATOM 1077 C LYS A 68 -0.311 14.140 0.079 1.00 0.00 C ATOM 1078 O LYS A 68 -0.110 15.001 0.935 1.00 0.00 O ATOM 1079 CB LYS A 68 1.862 13.180 -0.717 1.00 0.00 C ATOM 1080 CG LYS A 68 2.785 11.977 -0.831 1.00 0.00 C ATOM 1081 CD LYS A 68 3.854 11.989 0.249 1.00 0.00 C ATOM 1082 CE LYS A 68 5.132 11.312 -0.221 1.00 0.00 C ATOM 1083 NZ LYS A 68 6.199 12.300 -0.546 1.00 0.00 N ATOM 0 H LYS A 68 0.069 11.671 -1.629 1.00 0.00 H new ATOM 0 HA LYS A 68 0.785 12.567 1.033 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.633 13.548 -1.717 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.386 13.981 -0.195 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.200 11.060 -0.755 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.259 11.973 -1.813 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.071 13.018 0.536 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.479 11.483 1.138 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.489 10.634 0.554 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.919 10.706 -1.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.053 11.797 -0.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.868 12.931 -1.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.421 12.862 0.300 1.00 0.00 H new ATOM 1097 N GLU A 69 -1.282 14.231 -0.827 1.00 0.00 N ATOM 1098 CA GLU A 69 -2.185 15.374 -0.869 1.00 0.00 C ATOM 1099 C GLU A 69 -3.025 15.433 0.401 1.00 0.00 C ATOM 1100 O GLU A 69 -3.400 16.510 0.866 1.00 0.00 O ATOM 1101 CB GLU A 69 -3.094 15.288 -2.095 1.00 0.00 C ATOM 1102 CG GLU A 69 -3.889 16.557 -2.356 1.00 0.00 C ATOM 1103 CD GLU A 69 -4.691 16.490 -3.641 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -4.285 15.741 -4.555 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -5.724 17.186 -3.735 1.00 0.00 O ATOM 0 H GLU A 69 -1.462 13.526 -1.541 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.588 16.283 -0.937 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.487 15.064 -2.972 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.786 14.456 -1.965 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.565 16.736 -1.520 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.207 17.406 -2.402 1.00 0.00 H new ATOM 1112 N ASN A 70 -3.315 14.261 0.954 1.00 0.00 N ATOM 1113 CA ASN A 70 -4.109 14.157 2.172 1.00 0.00 C ATOM 1114 C ASN A 70 -3.450 13.209 3.174 1.00 0.00 C ATOM 1115 O ASN A 70 -4.087 12.758 4.126 1.00 0.00 O ATOM 1116 CB ASN A 70 -5.529 13.675 1.847 1.00 0.00 C ATOM 1117 CG ASN A 70 -5.593 12.843 0.577 1.00 0.00 C ATOM 1118 OD1 ASN A 70 -5.865 11.643 0.619 1.00 0.00 O ATOM 1119 ND2 ASN A 70 -5.340 13.482 -0.561 1.00 0.00 N ATOM 0 H ASN A 70 -3.010 13.364 0.575 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.167 15.148 2.622 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.907 13.085 2.682 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.186 14.539 1.744 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.367 12.977 -1.447 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.119 14.478 -0.549 1.00 0.00 H new ATOM 1126 N SER A 71 -2.170 12.911 2.953 1.00 0.00 N ATOM 1127 CA SER A 71 -1.425 12.020 3.834 1.00 0.00 C ATOM 1128 C SER A 71 0.066 12.056 3.504 1.00 0.00 C ATOM 1129 O SER A 71 0.608 11.114 2.923 1.00 0.00 O ATOM 1130 CB SER A 71 -1.958 10.591 3.711 1.00 0.00 C ATOM 1131 OG SER A 71 -2.099 9.985 4.985 1.00 0.00 O ATOM 0 H SER A 71 -1.629 13.276 2.169 1.00 0.00 H new ATOM 0 HA SER A 71 -1.558 12.361 4.861 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.922 10.602 3.202 1.00 0.00 H new ATOM 0 HB3 SER A 71 -1.280 9.999 3.097 1.00 0.00 H new ATOM 0 HG SER A 71 -2.387 10.657 5.637 1.00 0.00 H new ATOM 1137 N PRO A 72 0.753 13.153 3.867 1.00 0.00 N ATOM 1138 CA PRO A 72 2.179 13.321 3.610 1.00 0.00 C ATOM 1139 C PRO A 72 3.048 12.646 4.665 1.00 0.00 C ATOM 1140 O PRO A 72 4.270 12.580 4.529 1.00 0.00 O ATOM 1141 CB PRO A 72 2.379 14.845 3.646 1.00 0.00 C ATOM 1142 CG PRO A 72 1.058 15.441 4.039 1.00 0.00 C ATOM 1143 CD PRO A 72 0.199 14.319 4.553 1.00 0.00 C ATOM 0 HA PRO A 72 2.473 12.862 2.666 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.155 15.117 4.361 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.698 15.217 2.672 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.193 16.204 4.805 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.586 15.927 3.185 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.266 14.221 5.637 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -0.853 14.470 4.311 1.00 0.00 H new ATOM 1151 N ASP A 73 2.412 12.151 5.716 1.00 0.00 N ATOM 1152 CA ASP A 73 3.126 11.483 6.798 1.00 0.00 C ATOM 1153 C ASP A 73 3.057 9.963 6.664 1.00 0.00 C ATOM 1154 O ASP A 73 3.694 9.237 7.427 1.00 0.00 O ATOM 1155 CB ASP A 73 2.556 11.911 8.150 1.00 0.00 C ATOM 1156 CG ASP A 73 3.441 11.497 9.308 1.00 0.00 C ATOM 1157 OD1 ASP A 73 4.519 12.104 9.477 1.00 0.00 O ATOM 1158 OD2 ASP A 73 3.056 10.567 10.047 1.00 0.00 O ATOM 0 H ASP A 73 1.401 12.199 5.844 1.00 0.00 H new ATOM 0 HA ASP A 73 4.173 11.779 6.735 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.430 12.994 8.162 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.566 11.474 8.279 1.00 0.00 H new ATOM 1163 N SER A 74 2.278 9.485 5.698 1.00 0.00 N ATOM 1164 CA SER A 74 2.128 8.053 5.476 1.00 0.00 C ATOM 1165 C SER A 74 3.225 7.518 4.561 1.00 0.00 C ATOM 1166 O SER A 74 4.167 8.234 4.219 1.00 0.00 O ATOM 1167 CB SER A 74 0.754 7.757 4.876 1.00 0.00 C ATOM 1168 OG SER A 74 0.107 8.949 4.467 1.00 0.00 O ATOM 0 H SER A 74 1.741 10.070 5.057 1.00 0.00 H new ATOM 0 HA SER A 74 2.216 7.550 6.439 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.863 7.088 4.022 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.137 7.239 5.610 1.00 0.00 H new ATOM 0 HG SER A 74 -0.630 9.149 5.081 1.00 0.00 H new ATOM 1174 N VAL A 75 3.097 6.253 4.170 1.00 0.00 N ATOM 1175 CA VAL A 75 4.077 5.619 3.300 1.00 0.00 C ATOM 1176 C VAL A 75 3.406 4.989 2.084 1.00 0.00 C ATOM 1177 O VAL A 75 2.298 4.463 2.177 1.00 0.00 O ATOM 1178 CB VAL A 75 4.875 4.534 4.056 1.00 0.00 C ATOM 1179 CG1 VAL A 75 5.891 3.868 3.137 1.00 0.00 C ATOM 1180 CG2 VAL A 75 5.561 5.133 5.274 1.00 0.00 C ATOM 0 H VAL A 75 2.323 5.648 4.443 1.00 0.00 H new ATOM 0 HA VAL A 75 4.762 6.399 2.968 1.00 0.00 H new ATOM 0 HB VAL A 75 4.177 3.769 4.395 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.440 3.108 3.692 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.373 3.402 2.299 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.588 4.617 2.761 1.00 0.00 H new ATOM 0 HG21 VAL A 75 6.119 4.356 5.796 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.245 5.920 4.956 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.811 5.553 5.944 1.00 0.00 H new ATOM 1190 N VAL A 76 4.088 5.040 0.947 1.00 0.00 N ATOM 1191 CA VAL A 76 3.566 4.464 -0.287 1.00 0.00 C ATOM 1192 C VAL A 76 4.547 3.439 -0.841 1.00 0.00 C ATOM 1193 O VAL A 76 5.528 3.793 -1.493 1.00 0.00 O ATOM 1194 CB VAL A 76 3.297 5.538 -1.361 1.00 0.00 C ATOM 1195 CG1 VAL A 76 2.266 5.042 -2.363 1.00 0.00 C ATOM 1196 CG2 VAL A 76 2.840 6.843 -0.722 1.00 0.00 C ATOM 0 H VAL A 76 5.006 5.475 0.853 1.00 0.00 H new ATOM 0 HA VAL A 76 2.618 3.985 -0.042 1.00 0.00 H new ATOM 0 HB VAL A 76 4.230 5.730 -1.891 1.00 0.00 H new ATOM 0 HG11 VAL A 76 2.088 5.812 -3.114 1.00 0.00 H new ATOM 0 HG12 VAL A 76 2.636 4.140 -2.850 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.333 4.818 -1.845 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.657 7.584 -1.500 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.922 6.671 -0.161 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.614 7.209 -0.048 1.00 0.00 H new ATOM 1206 N ILE A 77 4.285 2.169 -0.560 1.00 0.00 N ATOM 1207 CA ILE A 77 5.157 1.093 -1.014 1.00 0.00 C ATOM 1208 C ILE A 77 5.004 0.835 -2.510 1.00 0.00 C ATOM 1209 O ILE A 77 5.930 1.070 -3.285 1.00 0.00 O ATOM 1210 CB ILE A 77 4.884 -0.213 -0.242 1.00 0.00 C ATOM 1211 CG1 ILE A 77 4.977 0.033 1.264 1.00 0.00 C ATOM 1212 CG2 ILE A 77 5.862 -1.298 -0.666 1.00 0.00 C ATOM 1213 CD1 ILE A 77 6.331 0.543 1.711 1.00 0.00 C ATOM 0 H ILE A 77 3.477 1.859 -0.021 1.00 0.00 H new ATOM 0 HA ILE A 77 6.179 1.418 -0.818 1.00 0.00 H new ATOM 0 HB ILE A 77 3.875 -0.551 -0.477 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.212 0.754 1.554 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.756 -0.896 1.790 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.654 -2.213 -0.111 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.753 -1.489 -1.734 1.00 0.00 H new ATOM 0 HG23 ILE A 77 6.881 -0.971 -0.458 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.324 0.695 2.790 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.098 -0.187 1.452 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.546 1.488 1.213 1.00 0.00 H new ATOM 1225 N VAL A 78 3.838 0.342 -2.909 1.00 0.00 N ATOM 1226 CA VAL A 78 3.584 0.042 -4.313 1.00 0.00 C ATOM 1227 C VAL A 78 4.530 -1.051 -4.794 1.00 0.00 C ATOM 1228 O VAL A 78 5.687 -0.790 -5.117 1.00 0.00 O ATOM 1229 CB VAL A 78 3.756 1.291 -5.200 1.00 0.00 C ATOM 1230 CG1 VAL A 78 3.218 1.030 -6.598 1.00 0.00 C ATOM 1231 CG2 VAL A 78 3.064 2.492 -4.571 1.00 0.00 C ATOM 0 H VAL A 78 3.057 0.142 -2.284 1.00 0.00 H new ATOM 0 HA VAL A 78 2.552 -0.298 -4.395 1.00 0.00 H new ATOM 0 HB VAL A 78 4.820 1.514 -5.280 1.00 0.00 H new ATOM 0 HG11 VAL A 78 3.348 1.922 -7.210 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.762 0.199 -7.048 1.00 0.00 H new ATOM 0 HG13 VAL A 78 2.158 0.781 -6.539 1.00 0.00 H new ATOM 0 HG21 VAL A 78 3.196 3.364 -5.211 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.000 2.282 -4.459 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.499 2.691 -3.592 1.00 0.00 H new ATOM 1241 N ILE A 79 4.031 -2.281 -4.822 1.00 0.00 N ATOM 1242 CA ILE A 79 4.833 -3.424 -5.243 1.00 0.00 C ATOM 1243 C ILE A 79 4.552 -3.770 -6.712 1.00 0.00 C ATOM 1244 O ILE A 79 4.321 -2.873 -7.524 1.00 0.00 O ATOM 1245 CB ILE A 79 4.573 -4.652 -4.332 1.00 0.00 C ATOM 1246 CG1 ILE A 79 4.194 -4.200 -2.919 1.00 0.00 C ATOM 1247 CG2 ILE A 79 5.804 -5.551 -4.284 1.00 0.00 C ATOM 1248 CD1 ILE A 79 3.736 -5.327 -2.020 1.00 0.00 C ATOM 0 H ILE A 79 3.073 -2.513 -4.558 1.00 0.00 H new ATOM 0 HA ILE A 79 5.884 -3.152 -5.149 1.00 0.00 H new ATOM 0 HB ILE A 79 3.742 -5.220 -4.751 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.053 -3.709 -2.462 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.400 -3.456 -2.986 1.00 0.00 H new ATOM 0 HG21 ILE A 79 5.604 -6.408 -3.640 1.00 0.00 H new ATOM 0 HG22 ILE A 79 6.039 -5.900 -5.290 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.650 -4.989 -3.888 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.485 -4.929 -1.037 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.857 -5.804 -2.454 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.535 -6.061 -1.921 1.00 0.00 H new ATOM 1260 N THR A 80 4.574 -5.058 -7.059 1.00 0.00 N ATOM 1261 CA THR A 80 4.323 -5.484 -8.434 1.00 0.00 C ATOM 1262 C THR A 80 5.293 -4.808 -9.399 1.00 0.00 C ATOM 1263 O THR A 80 4.994 -3.753 -9.958 1.00 0.00 O ATOM 1264 CB THR A 80 2.878 -5.176 -8.842 1.00 0.00 C ATOM 1265 OG1 THR A 80 2.229 -4.386 -7.861 1.00 0.00 O ATOM 1266 CG2 THR A 80 2.040 -6.418 -9.052 1.00 0.00 C ATOM 0 H THR A 80 4.762 -5.821 -6.408 1.00 0.00 H new ATOM 0 HA THR A 80 4.479 -6.562 -8.483 1.00 0.00 H new ATOM 0 HB THR A 80 2.958 -4.640 -9.788 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.102 -4.915 -7.046 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.029 -6.130 -9.339 1.00 0.00 H new ATOM 0 HG22 THR A 80 2.482 -7.026 -9.841 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.005 -6.994 -8.127 1.00 0.00 H new ATOM 1317 N VAL A 85 10.004 -3.187 -13.869 1.00 0.00 N ATOM 1318 CA VAL A 85 10.512 -2.456 -12.714 1.00 0.00 C ATOM 1319 C VAL A 85 10.434 -0.946 -12.935 1.00 0.00 C ATOM 1320 O VAL A 85 10.480 -0.169 -11.981 1.00 0.00 O ATOM 1321 CB VAL A 85 11.969 -2.847 -12.400 1.00 0.00 C ATOM 1322 CG1 VAL A 85 12.884 -2.499 -13.565 1.00 0.00 C ATOM 1323 CG2 VAL A 85 12.442 -2.173 -11.120 1.00 0.00 C ATOM 0 HA VAL A 85 9.881 -2.725 -11.867 1.00 0.00 H new ATOM 0 HB VAL A 85 12.008 -3.926 -12.250 1.00 0.00 H new ATOM 0 HG11 VAL A 85 13.908 -2.784 -13.321 1.00 0.00 H new ATOM 0 HG12 VAL A 85 12.560 -3.037 -14.456 1.00 0.00 H new ATOM 0 HG13 VAL A 85 12.841 -1.426 -13.754 1.00 0.00 H new ATOM 0 HG21 VAL A 85 13.473 -2.462 -10.916 1.00 0.00 H new ATOM 0 HG22 VAL A 85 12.385 -1.091 -11.236 1.00 0.00 H new ATOM 0 HG23 VAL A 85 11.807 -2.483 -10.290 1.00 0.00 H new ATOM 1333 N ASP A 86 10.318 -0.535 -14.196 1.00 0.00 N ATOM 1334 CA ASP A 86 10.236 0.883 -14.535 1.00 0.00 C ATOM 1335 C ASP A 86 9.127 1.573 -13.748 1.00 0.00 C ATOM 1336 O ASP A 86 9.252 2.740 -13.376 1.00 0.00 O ATOM 1337 CB ASP A 86 9.994 1.055 -16.036 1.00 0.00 C ATOM 1338 CG ASP A 86 11.022 0.323 -16.876 1.00 0.00 C ATOM 1339 OD1 ASP A 86 11.080 -0.921 -16.791 1.00 0.00 O ATOM 1340 OD2 ASP A 86 11.767 0.994 -17.620 1.00 0.00 O ATOM 0 H ASP A 86 10.279 -1.163 -14.999 1.00 0.00 H new ATOM 0 HA ASP A 86 11.185 1.348 -14.269 1.00 0.00 H new ATOM 0 HB2 ASP A 86 8.998 0.688 -16.285 1.00 0.00 H new ATOM 0 HB3 ASP A 86 10.014 2.116 -16.285 1.00 0.00 H new ATOM 1345 N THR A 87 8.041 0.848 -13.492 1.00 0.00 N ATOM 1346 CA THR A 87 6.919 1.403 -12.744 1.00 0.00 C ATOM 1347 C THR A 87 7.374 1.853 -11.361 1.00 0.00 C ATOM 1348 O THR A 87 6.877 2.842 -10.821 1.00 0.00 O ATOM 1349 CB THR A 87 5.786 0.375 -12.632 1.00 0.00 C ATOM 1350 OG1 THR A 87 4.550 1.021 -12.383 1.00 0.00 O ATOM 1351 CG2 THR A 87 5.996 -0.650 -11.533 1.00 0.00 C ATOM 0 H THR A 87 7.915 -0.119 -13.790 1.00 0.00 H new ATOM 0 HA THR A 87 6.540 2.272 -13.282 1.00 0.00 H new ATOM 0 HB THR A 87 5.781 -0.147 -13.589 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.838 0.351 -12.316 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.154 -1.342 -11.516 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.916 -1.202 -11.722 1.00 0.00 H new ATOM 0 HG23 THR A 87 6.068 -0.142 -10.571 1.00 0.00 H new ATOM 1359 N ALA A 88 8.333 1.125 -10.799 1.00 0.00 N ATOM 1360 CA ALA A 88 8.868 1.454 -9.487 1.00 0.00 C ATOM 1361 C ALA A 88 9.456 2.856 -9.495 1.00 0.00 C ATOM 1362 O ALA A 88 9.028 3.730 -8.741 1.00 0.00 O ATOM 1363 CB ALA A 88 9.926 0.442 -9.081 1.00 0.00 C ATOM 0 H ALA A 88 8.754 0.304 -11.233 1.00 0.00 H new ATOM 0 HA ALA A 88 8.056 1.420 -8.761 1.00 0.00 H new ATOM 0 HB1 ALA A 88 10.318 0.700 -8.097 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.483 -0.553 -9.045 1.00 0.00 H new ATOM 0 HB3 ALA A 88 10.737 0.452 -9.809 1.00 0.00 H new ATOM 1369 N VAL A 89 10.436 3.062 -10.365 1.00 0.00 N ATOM 1370 CA VAL A 89 11.086 4.357 -10.492 1.00 0.00 C ATOM 1371 C VAL A 89 10.077 5.444 -10.857 1.00 0.00 C ATOM 1372 O VAL A 89 10.270 6.616 -10.534 1.00 0.00 O ATOM 1373 CB VAL A 89 12.202 4.321 -11.556 1.00 0.00 C ATOM 1374 CG1 VAL A 89 13.266 3.304 -11.176 1.00 0.00 C ATOM 1375 CG2 VAL A 89 11.630 4.010 -12.931 1.00 0.00 C ATOM 0 H VAL A 89 10.798 2.346 -10.994 1.00 0.00 H new ATOM 0 HA VAL A 89 11.528 4.590 -9.523 1.00 0.00 H new ATOM 0 HB VAL A 89 12.665 5.307 -11.598 1.00 0.00 H new ATOM 0 HG11 VAL A 89 14.046 3.291 -11.937 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.702 3.575 -10.215 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.814 2.315 -11.103 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.436 3.990 -13.664 1.00 0.00 H new ATOM 0 HG22 VAL A 89 11.136 3.039 -12.908 1.00 0.00 H new ATOM 0 HG23 VAL A 89 10.908 4.778 -13.207 1.00 0.00 H new ATOM 1385 N LYS A 90 9.000 5.046 -11.532 1.00 0.00 N ATOM 1386 CA LYS A 90 7.962 5.987 -11.939 1.00 0.00 C ATOM 1387 C LYS A 90 7.010 6.298 -10.785 1.00 0.00 C ATOM 1388 O LYS A 90 6.221 7.239 -10.862 1.00 0.00 O ATOM 1389 CB LYS A 90 7.176 5.424 -13.123 1.00 0.00 C ATOM 1390 CG LYS A 90 6.087 6.355 -13.625 1.00 0.00 C ATOM 1391 CD LYS A 90 5.632 5.978 -15.026 1.00 0.00 C ATOM 1392 CE LYS A 90 6.402 6.745 -16.090 1.00 0.00 C ATOM 1393 NZ LYS A 90 5.530 7.705 -16.821 1.00 0.00 N ATOM 0 H LYS A 90 8.825 4.080 -11.808 1.00 0.00 H new ATOM 0 HA LYS A 90 8.450 6.915 -12.237 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.866 5.212 -13.939 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.726 4.475 -12.832 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.236 6.322 -12.944 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.456 7.381 -13.625 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.769 4.907 -15.178 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.566 6.181 -15.130 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.226 7.285 -15.624 1.00 0.00 H new ATOM 0 HE3 LYS A 90 6.842 6.042 -16.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.092 8.208 -17.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.758 7.187 -17.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.130 8.391 -16.150 1.00 0.00 H new ATOM 1407 N ALA A 91 7.081 5.503 -9.722 1.00 0.00 N ATOM 1408 CA ALA A 91 6.214 5.701 -8.567 1.00 0.00 C ATOM 1409 C ALA A 91 6.992 6.207 -7.357 1.00 0.00 C ATOM 1410 O ALA A 91 6.476 6.994 -6.562 1.00 0.00 O ATOM 1411 CB ALA A 91 5.495 4.405 -8.226 1.00 0.00 C ATOM 0 H ALA A 91 7.728 4.719 -9.637 1.00 0.00 H new ATOM 0 HA ALA A 91 5.480 6.463 -8.829 1.00 0.00 H new ATOM 0 HB1 ALA A 91 4.850 4.563 -7.362 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.891 4.089 -9.077 1.00 0.00 H new ATOM 0 HB3 ALA A 91 6.228 3.632 -7.995 1.00 0.00 H new ATOM 1417 N ILE A 92 8.231 5.747 -7.212 1.00 0.00 N ATOM 1418 CA ILE A 92 9.067 6.153 -6.085 1.00 0.00 C ATOM 1419 C ILE A 92 9.637 7.555 -6.283 1.00 0.00 C ATOM 1420 O ILE A 92 9.932 8.255 -5.315 1.00 0.00 O ATOM 1421 CB ILE A 92 10.217 5.149 -5.837 1.00 0.00 C ATOM 1422 CG1 ILE A 92 11.335 5.331 -6.870 1.00 0.00 C ATOM 1423 CG2 ILE A 92 9.686 3.721 -5.873 1.00 0.00 C ATOM 1424 CD1 ILE A 92 12.464 4.332 -6.728 1.00 0.00 C ATOM 0 H ILE A 92 8.678 5.096 -7.857 1.00 0.00 H new ATOM 0 HA ILE A 92 8.421 6.163 -5.207 1.00 0.00 H new ATOM 0 HB ILE A 92 10.635 5.344 -4.849 1.00 0.00 H new ATOM 0 HG12 ILE A 92 10.910 5.246 -7.870 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.740 6.339 -6.780 1.00 0.00 H new ATOM 0 HG21 ILE A 92 10.505 3.024 -5.697 1.00 0.00 H new ATOM 0 HG22 ILE A 92 8.929 3.595 -5.099 1.00 0.00 H new ATOM 0 HG23 ILE A 92 9.243 3.522 -6.849 1.00 0.00 H new ATOM 0 HD11 ILE A 92 13.217 4.523 -7.492 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.916 4.431 -5.741 1.00 0.00 H new ATOM 0 HD13 ILE A 92 12.073 3.322 -6.848 1.00 0.00 H new ATOM 1436 N LYS A 93 9.783 7.965 -7.540 1.00 0.00 N ATOM 1437 CA LYS A 93 10.311 9.289 -7.849 1.00 0.00 C ATOM 1438 C LYS A 93 9.346 10.374 -7.381 1.00 0.00 C ATOM 1439 O LYS A 93 9.757 11.487 -7.056 1.00 0.00 O ATOM 1440 CB LYS A 93 10.565 9.428 -9.351 1.00 0.00 C ATOM 1441 CG LYS A 93 11.421 10.631 -9.714 1.00 0.00 C ATOM 1442 CD LYS A 93 12.756 10.604 -8.986 1.00 0.00 C ATOM 1443 CE LYS A 93 13.753 11.565 -9.613 1.00 0.00 C ATOM 1444 NZ LYS A 93 15.152 11.064 -9.505 1.00 0.00 N ATOM 0 H LYS A 93 9.544 7.402 -8.357 1.00 0.00 H new ATOM 0 HA LYS A 93 11.257 9.410 -7.320 1.00 0.00 H new ATOM 0 HB2 LYS A 93 11.052 8.523 -9.714 1.00 0.00 H new ATOM 0 HB3 LYS A 93 9.608 9.504 -9.867 1.00 0.00 H new ATOM 0 HG2 LYS A 93 11.592 10.646 -10.790 1.00 0.00 H new ATOM 0 HG3 LYS A 93 10.887 11.548 -9.464 1.00 0.00 H new ATOM 0 HD2 LYS A 93 12.606 10.866 -7.939 1.00 0.00 H new ATOM 0 HD3 LYS A 93 13.162 9.593 -9.006 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.501 11.715 -10.663 1.00 0.00 H new ATOM 0 HE3 LYS A 93 13.677 12.537 -9.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 15.801 11.748 -9.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 15.402 10.945 -8.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 15.232 10.149 -9.993 1.00 0.00 H new ATOM 1458 N LYS A 94 8.059 10.037 -7.346 1.00 0.00 N ATOM 1459 CA LYS A 94 7.033 10.978 -6.916 1.00 0.00 C ATOM 1460 C LYS A 94 7.081 11.177 -5.405 1.00 0.00 C ATOM 1461 O LYS A 94 7.254 12.297 -4.921 1.00 0.00 O ATOM 1462 CB LYS A 94 5.650 10.480 -7.332 1.00 0.00 C ATOM 1463 CG LYS A 94 4.552 11.520 -7.165 1.00 0.00 C ATOM 1464 CD LYS A 94 4.088 12.063 -8.508 1.00 0.00 C ATOM 1465 CE LYS A 94 5.227 12.726 -9.266 1.00 0.00 C ATOM 1466 NZ LYS A 94 5.493 14.106 -8.773 1.00 0.00 N ATOM 0 H LYS A 94 7.704 9.118 -7.611 1.00 0.00 H new ATOM 0 HA LYS A 94 7.226 11.936 -7.398 1.00 0.00 H new ATOM 0 HB2 LYS A 94 5.685 10.165 -8.375 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.397 9.599 -6.742 1.00 0.00 H new ATOM 0 HG2 LYS A 94 3.706 11.076 -6.639 1.00 0.00 H new ATOM 0 HG3 LYS A 94 4.917 12.340 -6.547 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.675 11.251 -9.107 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.285 12.784 -8.352 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.130 12.124 -9.164 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.985 12.760 -10.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 6.276 14.523 -9.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.640 14.688 -8.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.749 14.071 -7.766 1.00 0.00 H new ATOM 1480 N GLY A 95 6.930 10.085 -4.662 1.00 0.00 N ATOM 1481 CA GLY A 95 6.963 10.165 -3.213 1.00 0.00 C ATOM 1482 C GLY A 95 6.648 8.839 -2.547 1.00 0.00 C ATOM 1483 O GLY A 95 5.992 8.803 -1.505 1.00 0.00 O ATOM 0 H GLY A 95 6.786 9.147 -5.037 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.949 10.502 -2.894 1.00 0.00 H new ATOM 0 HA3 GLY A 95 6.246 10.915 -2.878 1.00 0.00 H new ATOM 1487 N ALA A 96 7.117 7.746 -3.142 1.00 0.00 N ATOM 1488 CA ALA A 96 6.880 6.418 -2.590 1.00 0.00 C ATOM 1489 C ALA A 96 7.992 6.024 -1.624 1.00 0.00 C ATOM 1490 O ALA A 96 8.756 6.873 -1.163 1.00 0.00 O ATOM 1491 CB ALA A 96 6.749 5.391 -3.704 1.00 0.00 C ATOM 0 H ALA A 96 7.662 7.754 -4.004 1.00 0.00 H new ATOM 0 HA ALA A 96 5.943 6.444 -2.034 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.572 4.406 -3.272 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.913 5.659 -4.350 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.668 5.371 -4.290 1.00 0.00 H new ATOM 1497 N TYR A 97 8.077 4.734 -1.314 1.00 0.00 N ATOM 1498 CA TYR A 97 9.094 4.237 -0.397 1.00 0.00 C ATOM 1499 C TYR A 97 10.171 3.445 -1.131 1.00 0.00 C ATOM 1500 O TYR A 97 10.859 2.619 -0.535 1.00 0.00 O ATOM 1501 CB TYR A 97 8.447 3.370 0.680 1.00 0.00 C ATOM 1502 CG TYR A 97 9.405 2.929 1.764 1.00 0.00 C ATOM 1503 CD1 TYR A 97 10.085 3.860 2.538 1.00 0.00 C ATOM 1504 CD2 TYR A 97 9.627 1.581 2.012 1.00 0.00 C ATOM 1505 CE1 TYR A 97 10.961 3.460 3.529 1.00 0.00 C ATOM 1506 CE2 TYR A 97 10.500 1.172 3.002 1.00 0.00 C ATOM 1507 CZ TYR A 97 11.164 2.115 3.757 1.00 0.00 C ATOM 1508 OH TYR A 97 12.035 1.713 4.744 1.00 0.00 O ATOM 0 H TYR A 97 7.454 4.016 -1.684 1.00 0.00 H new ATOM 0 HA TYR A 97 9.573 5.097 0.070 1.00 0.00 H new ATOM 0 HB2 TYR A 97 7.627 3.925 1.136 1.00 0.00 H new ATOM 0 HB3 TYR A 97 8.013 2.487 0.211 1.00 0.00 H new ATOM 0 HD1 TYR A 97 9.927 4.914 2.363 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.109 0.840 1.421 1.00 0.00 H new ATOM 0 HE1 TYR A 97 11.484 4.196 4.122 1.00 0.00 H new ATOM 0 HE2 TYR A 97 10.661 0.120 3.183 1.00 0.00 H new ATOM 0 HH TYR A 97 12.063 0.734 4.776 1.00 0.00 H new ATOM 1518 N GLU A 98 10.315 3.718 -2.425 1.00 0.00 N ATOM 1519 CA GLU A 98 11.314 3.050 -3.263 1.00 0.00 C ATOM 1520 C GLU A 98 10.840 1.668 -3.718 1.00 0.00 C ATOM 1521 O GLU A 98 11.645 0.828 -4.118 1.00 0.00 O ATOM 1522 CB GLU A 98 12.667 2.957 -2.529 1.00 0.00 C ATOM 1523 CG GLU A 98 12.959 1.602 -1.892 1.00 0.00 C ATOM 1524 CD GLU A 98 13.803 1.718 -0.637 1.00 0.00 C ATOM 1525 OE1 GLU A 98 14.728 2.558 -0.620 1.00 0.00 O ATOM 1526 OE2 GLU A 98 13.538 0.971 0.328 1.00 0.00 O ATOM 0 H GLU A 98 9.747 4.404 -2.923 1.00 0.00 H new ATOM 0 HA GLU A 98 11.450 3.656 -4.159 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.464 3.190 -3.235 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.696 3.721 -1.752 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.018 1.109 -1.648 1.00 0.00 H new ATOM 0 HG3 GLU A 98 13.474 0.968 -2.614 1.00 0.00 H new ATOM 1533 N PHE A 99 9.530 1.441 -3.669 1.00 0.00 N ATOM 1534 CA PHE A 99 8.964 0.164 -4.089 1.00 0.00 C ATOM 1535 C PHE A 99 9.489 -0.980 -3.223 1.00 0.00 C ATOM 1536 O PHE A 99 10.500 -0.837 -2.536 1.00 0.00 O ATOM 1537 CB PHE A 99 9.297 -0.098 -5.562 1.00 0.00 C ATOM 1538 CG PHE A 99 8.092 -0.115 -6.459 1.00 0.00 C ATOM 1539 CD1 PHE A 99 7.229 0.968 -6.502 1.00 0.00 C ATOM 1540 CD2 PHE A 99 7.824 -1.214 -7.261 1.00 0.00 C ATOM 1541 CE1 PHE A 99 6.120 0.955 -7.327 1.00 0.00 C ATOM 1542 CE2 PHE A 99 6.716 -1.232 -8.088 1.00 0.00 C ATOM 1543 CZ PHE A 99 5.863 -0.146 -8.121 1.00 0.00 C ATOM 0 H PHE A 99 8.844 2.122 -3.344 1.00 0.00 H new ATOM 0 HA PHE A 99 7.882 0.214 -3.968 1.00 0.00 H new ATOM 0 HB2 PHE A 99 9.988 0.669 -5.911 1.00 0.00 H new ATOM 0 HB3 PHE A 99 9.814 -1.054 -5.644 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.425 1.832 -5.884 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.488 -2.065 -7.239 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.455 1.805 -7.351 1.00 0.00 H new ATOM 0 HE2 PHE A 99 6.518 -2.094 -8.707 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.997 -0.158 -8.766 1.00 0.00 H new ATOM 1553 N LEU A 100 8.793 -2.112 -3.263 1.00 0.00 N ATOM 1554 CA LEU A 100 9.183 -3.281 -2.488 1.00 0.00 C ATOM 1555 C LEU A 100 9.901 -4.296 -3.372 1.00 0.00 C ATOM 1556 O LEU A 100 9.444 -4.611 -4.471 1.00 0.00 O ATOM 1557 CB LEU A 100 7.948 -3.919 -1.849 1.00 0.00 C ATOM 1558 CG LEU A 100 8.233 -4.844 -0.666 1.00 0.00 C ATOM 1559 CD1 LEU A 100 9.091 -6.016 -1.107 1.00 0.00 C ATOM 1560 CD2 LEU A 100 8.911 -4.079 0.459 1.00 0.00 C ATOM 0 H LEU A 100 7.953 -2.243 -3.827 1.00 0.00 H new ATOM 0 HA LEU A 100 9.868 -2.964 -1.701 1.00 0.00 H new ATOM 0 HB2 LEU A 100 7.279 -3.125 -1.516 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.415 -4.485 -2.613 1.00 0.00 H new ATOM 0 HG LEU A 100 7.285 -5.231 -0.293 1.00 0.00 H new ATOM 0 HD11 LEU A 100 9.286 -6.666 -0.254 1.00 0.00 H new ATOM 0 HD12 LEU A 100 8.568 -6.579 -1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 100 10.036 -5.646 -1.504 1.00 0.00 H new ATOM 0 HD21 LEU A 100 9.106 -4.754 1.292 1.00 0.00 H new ATOM 0 HD22 LEU A 100 9.853 -3.664 0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 100 8.261 -3.270 0.792 1.00 0.00 H new ATOM 1572 N GLU A 101 11.027 -4.808 -2.885 1.00 0.00 N ATOM 1573 CA GLU A 101 11.807 -5.789 -3.632 1.00 0.00 C ATOM 1574 C GLU A 101 11.026 -7.088 -3.808 1.00 0.00 C ATOM 1575 O GLU A 101 10.678 -7.467 -4.926 1.00 0.00 O ATOM 1576 CB GLU A 101 13.131 -6.070 -2.918 1.00 0.00 C ATOM 1577 CG GLU A 101 14.238 -5.092 -3.282 1.00 0.00 C ATOM 1578 CD GLU A 101 15.238 -5.681 -4.257 1.00 0.00 C ATOM 1579 OE1 GLU A 101 14.940 -5.707 -5.469 1.00 0.00 O ATOM 1580 OE2 GLU A 101 16.320 -6.113 -3.808 1.00 0.00 O ATOM 0 H GLU A 101 11.420 -4.560 -1.977 1.00 0.00 H new ATOM 0 HA GLU A 101 12.014 -5.375 -4.619 1.00 0.00 H new ATOM 0 HB2 GLU A 101 12.968 -6.037 -1.841 1.00 0.00 H new ATOM 0 HB3 GLU A 101 13.457 -7.082 -3.160 1.00 0.00 H new ATOM 0 HG2 GLU A 101 13.797 -4.195 -3.717 1.00 0.00 H new ATOM 0 HG3 GLU A 101 14.758 -4.784 -2.375 1.00 0.00 H new ATOM 1654 N VAL A 106 5.519 -12.460 0.104 1.00 0.00 N ATOM 1655 CA VAL A 106 5.001 -11.390 0.947 1.00 0.00 C ATOM 1656 C VAL A 106 5.728 -11.348 2.288 1.00 0.00 C ATOM 1657 O VAL A 106 5.930 -10.278 2.860 1.00 0.00 O ATOM 1658 CB VAL A 106 3.488 -11.552 1.191 1.00 0.00 C ATOM 1659 CG1 VAL A 106 3.199 -12.843 1.940 1.00 0.00 C ATOM 1660 CG2 VAL A 106 2.931 -10.350 1.944 1.00 0.00 C ATOM 0 HA VAL A 106 5.174 -10.453 0.418 1.00 0.00 H new ATOM 0 HB VAL A 106 2.990 -11.604 0.223 1.00 0.00 H new ATOM 0 HG11 VAL A 106 2.125 -12.937 2.102 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.554 -13.691 1.354 1.00 0.00 H new ATOM 0 HG13 VAL A 106 3.711 -12.828 2.902 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.862 -10.485 2.105 1.00 0.00 H new ATOM 0 HG22 VAL A 106 3.435 -10.258 2.906 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.098 -9.445 1.360 1.00 0.00 H new ATOM 1670 N GLU A 107 6.122 -12.519 2.787 1.00 0.00 N ATOM 1671 CA GLU A 107 6.829 -12.612 4.060 1.00 0.00 C ATOM 1672 C GLU A 107 7.937 -11.565 4.147 1.00 0.00 C ATOM 1673 O GLU A 107 8.166 -10.973 5.201 1.00 0.00 O ATOM 1674 CB GLU A 107 7.415 -14.010 4.237 1.00 0.00 C ATOM 1675 CG GLU A 107 7.696 -14.373 5.684 1.00 0.00 C ATOM 1676 CD GLU A 107 8.895 -15.289 5.834 1.00 0.00 C ATOM 1677 OE1 GLU A 107 8.904 -16.362 5.195 1.00 0.00 O ATOM 1678 OE2 GLU A 107 9.824 -14.934 6.589 1.00 0.00 O ATOM 0 H GLU A 107 5.963 -13.416 2.328 1.00 0.00 H new ATOM 0 HA GLU A 107 6.114 -12.421 4.860 1.00 0.00 H new ATOM 0 HB2 GLU A 107 6.724 -14.740 3.816 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.341 -14.081 3.667 1.00 0.00 H new ATOM 0 HG2 GLU A 107 7.866 -13.461 6.257 1.00 0.00 H new ATOM 0 HG3 GLU A 107 6.818 -14.858 6.110 1.00 0.00 H new ATOM 1685 N ARG A 108 8.611 -11.332 3.024 1.00 0.00 N ATOM 1686 CA ARG A 108 9.683 -10.345 2.969 1.00 0.00 C ATOM 1687 C ARG A 108 9.108 -8.941 3.119 1.00 0.00 C ATOM 1688 O ARG A 108 9.684 -8.090 3.796 1.00 0.00 O ATOM 1689 CB ARG A 108 10.452 -10.461 1.652 1.00 0.00 C ATOM 1690 CG ARG A 108 11.731 -9.639 1.622 1.00 0.00 C ATOM 1691 CD ARG A 108 11.476 -8.228 1.116 1.00 0.00 C ATOM 1692 NE ARG A 108 11.920 -7.215 2.071 1.00 0.00 N ATOM 1693 CZ ARG A 108 13.188 -6.835 2.214 1.00 0.00 C ATOM 1694 NH1 ARG A 108 14.141 -7.387 1.474 1.00 0.00 N ATOM 1695 NH2 ARG A 108 13.505 -5.903 3.102 1.00 0.00 N ATOM 0 H ARG A 108 8.434 -11.813 2.142 1.00 0.00 H new ATOM 0 HA ARG A 108 10.374 -10.536 3.790 1.00 0.00 H new ATOM 0 HB2 ARG A 108 10.698 -11.508 1.475 1.00 0.00 H new ATOM 0 HB3 ARG A 108 9.806 -10.143 0.834 1.00 0.00 H new ATOM 0 HG2 ARG A 108 12.160 -9.595 2.623 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.465 -10.129 0.982 1.00 0.00 H new ATOM 0 HD2 ARG A 108 11.994 -8.084 0.168 1.00 0.00 H new ATOM 0 HD3 ARG A 108 10.411 -8.100 0.920 1.00 0.00 H new ATOM 0 HE ARG A 108 11.217 -6.773 2.663 1.00 0.00 H new ATOM 0 HH11 ARG A 108 13.904 -8.107 0.791 1.00 0.00 H new ATOM 0 HH12 ARG A 108 15.111 -7.092 1.588 1.00 0.00 H new ATOM 0 HH21 ARG A 108 12.777 -5.477 3.676 1.00 0.00 H new ATOM 0 HH22 ARG A 108 14.477 -5.612 3.211 1.00 0.00 H new ATOM 1709 N PHE A 109 7.959 -8.715 2.491 1.00 0.00 N ATOM 1710 CA PHE A 109 7.286 -7.423 2.559 1.00 0.00 C ATOM 1711 C PHE A 109 6.976 -7.066 4.013 1.00 0.00 C ATOM 1712 O PHE A 109 6.875 -5.891 4.368 1.00 0.00 O ATOM 1713 CB PHE A 109 6.000 -7.457 1.721 1.00 0.00 C ATOM 1714 CG PHE A 109 5.000 -6.390 2.071 1.00 0.00 C ATOM 1715 CD1 PHE A 109 5.376 -5.058 2.129 1.00 0.00 C ATOM 1716 CD2 PHE A 109 3.681 -6.723 2.340 1.00 0.00 C ATOM 1717 CE1 PHE A 109 4.456 -4.077 2.450 1.00 0.00 C ATOM 1718 CE2 PHE A 109 2.757 -5.747 2.660 1.00 0.00 C ATOM 1719 CZ PHE A 109 3.145 -4.423 2.715 1.00 0.00 C ATOM 0 H PHE A 109 7.473 -9.412 1.927 1.00 0.00 H new ATOM 0 HA PHE A 109 7.944 -6.656 2.151 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.265 -7.358 0.668 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.529 -8.432 1.841 1.00 0.00 H new ATOM 0 HD1 PHE A 109 6.399 -4.783 1.921 1.00 0.00 H new ATOM 0 HD2 PHE A 109 3.373 -7.757 2.299 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.762 -3.042 2.493 1.00 0.00 H new ATOM 0 HE2 PHE A 109 1.733 -6.019 2.867 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.424 -3.659 2.965 1.00 0.00 H new ATOM 1729 N LEU A 110 6.832 -8.091 4.848 1.00 0.00 N ATOM 1730 CA LEU A 110 6.541 -7.897 6.263 1.00 0.00 C ATOM 1731 C LEU A 110 7.625 -7.064 6.937 1.00 0.00 C ATOM 1732 O LEU A 110 7.333 -6.096 7.639 1.00 0.00 O ATOM 1733 CB LEU A 110 6.422 -9.243 6.964 1.00 0.00 C ATOM 1734 CG LEU A 110 5.333 -9.315 8.032 1.00 0.00 C ATOM 1735 CD1 LEU A 110 5.118 -10.750 8.471 1.00 0.00 C ATOM 1736 CD2 LEU A 110 5.694 -8.437 9.220 1.00 0.00 C ATOM 0 H LEU A 110 6.913 -9.068 4.566 1.00 0.00 H new ATOM 0 HA LEU A 110 5.595 -7.362 6.340 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.228 -10.011 6.215 1.00 0.00 H new ATOM 0 HB3 LEU A 110 7.380 -9.482 7.425 1.00 0.00 H new ATOM 0 HG LEU A 110 4.402 -8.944 7.604 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.339 -10.785 9.232 1.00 0.00 H new ATOM 0 HD12 LEU A 110 4.815 -11.351 7.614 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.046 -11.147 8.883 1.00 0.00 H new ATOM 0 HD21 LEU A 110 4.907 -8.500 9.972 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.636 -8.777 9.651 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.798 -7.403 8.890 1.00 0.00 H new ATOM 1748 N LEU A 111 8.876 -7.454 6.720 1.00 0.00 N ATOM 1749 CA LEU A 111 10.013 -6.752 7.306 1.00 0.00 C ATOM 1750 C LEU A 111 9.975 -5.268 6.966 1.00 0.00 C ATOM 1751 O LEU A 111 10.016 -4.416 7.854 1.00 0.00 O ATOM 1752 CB LEU A 111 11.324 -7.366 6.818 1.00 0.00 C ATOM 1753 CG LEU A 111 11.545 -8.827 7.221 1.00 0.00 C ATOM 1754 CD1 LEU A 111 11.321 -9.751 6.034 1.00 0.00 C ATOM 1755 CD2 LEU A 111 12.943 -9.019 7.789 1.00 0.00 C ATOM 0 H LEU A 111 9.129 -8.255 6.141 1.00 0.00 H new ATOM 0 HA LEU A 111 9.951 -6.857 8.389 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.358 -7.296 5.731 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.152 -6.770 7.202 1.00 0.00 H new ATOM 0 HG LEU A 111 10.821 -9.081 7.995 1.00 0.00 H new ATOM 0 HD11 LEU A 111 11.483 -10.784 6.341 1.00 0.00 H new ATOM 0 HD12 LEU A 111 10.300 -9.636 5.671 1.00 0.00 H new ATOM 0 HD13 LEU A 111 12.020 -9.496 5.237 1.00 0.00 H new ATOM 0 HD21 LEU A 111 13.081 -10.063 8.070 1.00 0.00 H new ATOM 0 HD22 LEU A 111 13.682 -8.744 7.037 1.00 0.00 H new ATOM 0 HD23 LEU A 111 13.068 -8.387 8.668 1.00 0.00 H new ATOM 1767 N THR A 112 9.900 -4.962 5.674 1.00 0.00 N ATOM 1768 CA THR A 112 9.859 -3.575 5.216 1.00 0.00 C ATOM 1769 C THR A 112 8.809 -2.775 5.980 1.00 0.00 C ATOM 1770 O THR A 112 9.123 -1.754 6.589 1.00 0.00 O ATOM 1771 CB THR A 112 9.566 -3.522 3.716 1.00 0.00 C ATOM 1772 OG1 THR A 112 10.524 -4.271 2.990 1.00 0.00 O ATOM 1773 CG2 THR A 112 9.560 -2.116 3.156 1.00 0.00 C ATOM 0 H THR A 112 9.866 -5.654 4.926 1.00 0.00 H new ATOM 0 HA THR A 112 10.835 -3.128 5.407 1.00 0.00 H new ATOM 0 HB THR A 112 8.568 -3.944 3.602 1.00 0.00 H new ATOM 0 HG1 THR A 112 10.990 -3.683 2.360 1.00 0.00 H new ATOM 0 HG21 THR A 112 9.346 -2.151 2.088 1.00 0.00 H new ATOM 0 HG22 THR A 112 8.794 -1.527 3.661 1.00 0.00 H new ATOM 0 HG23 THR A 112 10.535 -1.657 3.316 1.00 0.00 H new ATOM 1781 N ILE A 113 7.561 -3.244 5.925 1.00 0.00 N ATOM 1782 CA ILE A 113 6.438 -2.581 6.596 1.00 0.00 C ATOM 1783 C ILE A 113 6.889 -1.845 7.852 1.00 0.00 C ATOM 1784 O ILE A 113 6.803 -0.619 7.923 1.00 0.00 O ATOM 1785 CB ILE A 113 5.330 -3.598 6.959 1.00 0.00 C ATOM 1786 CG1 ILE A 113 4.514 -3.955 5.716 1.00 0.00 C ATOM 1787 CG2 ILE A 113 4.420 -3.055 8.055 1.00 0.00 C ATOM 1788 CD1 ILE A 113 3.725 -2.790 5.158 1.00 0.00 C ATOM 0 H ILE A 113 7.300 -4.089 5.417 1.00 0.00 H new ATOM 0 HA ILE A 113 6.035 -1.850 5.895 1.00 0.00 H new ATOM 0 HB ILE A 113 5.809 -4.500 7.339 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.187 -4.331 4.945 1.00 0.00 H new ATOM 0 HG13 ILE A 113 3.827 -4.765 5.962 1.00 0.00 H new ATOM 0 HG21 ILE A 113 3.652 -3.792 8.288 1.00 0.00 H new ATOM 0 HG22 ILE A 113 5.009 -2.850 8.949 1.00 0.00 H new ATOM 0 HG23 ILE A 113 3.948 -2.134 7.713 1.00 0.00 H new ATOM 0 HD11 ILE A 113 3.170 -3.115 4.278 1.00 0.00 H new ATOM 0 HD12 ILE A 113 3.028 -2.428 5.913 1.00 0.00 H new ATOM 0 HD13 ILE A 113 4.408 -1.987 4.880 1.00 0.00 H new ATOM 1800 N LYS A 114 7.390 -2.590 8.828 1.00 0.00 N ATOM 1801 CA LYS A 114 7.876 -1.987 10.063 1.00 0.00 C ATOM 1802 C LYS A 114 8.804 -0.829 9.723 1.00 0.00 C ATOM 1803 O LYS A 114 8.559 0.317 10.099 1.00 0.00 O ATOM 1804 CB LYS A 114 8.614 -3.026 10.909 1.00 0.00 C ATOM 1805 CG LYS A 114 9.181 -2.470 12.207 1.00 0.00 C ATOM 1806 CD LYS A 114 10.615 -1.987 12.037 1.00 0.00 C ATOM 1807 CE LYS A 114 11.568 -3.138 11.757 1.00 0.00 C ATOM 1808 NZ LYS A 114 11.757 -4.006 12.952 1.00 0.00 N ATOM 0 H LYS A 114 7.471 -3.606 8.790 1.00 0.00 H new ATOM 0 HA LYS A 114 7.029 -1.616 10.641 1.00 0.00 H new ATOM 0 HB2 LYS A 114 7.931 -3.843 11.142 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.428 -3.449 10.320 1.00 0.00 H new ATOM 0 HG2 LYS A 114 8.558 -1.645 12.552 1.00 0.00 H new ATOM 0 HG3 LYS A 114 9.146 -3.240 12.978 1.00 0.00 H new ATOM 0 HD2 LYS A 114 10.662 -1.269 11.219 1.00 0.00 H new ATOM 0 HD3 LYS A 114 10.932 -1.464 12.939 1.00 0.00 H new ATOM 0 HE2 LYS A 114 11.182 -3.736 10.931 1.00 0.00 H new ATOM 0 HE3 LYS A 114 12.533 -2.742 11.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 12.524 -4.684 12.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 12.003 -3.417 13.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 10.876 -4.523 13.148 1.00 0.00 H new ATOM 1822 N HIS A 115 9.861 -1.150 8.986 1.00 0.00 N ATOM 1823 CA HIS A 115 10.831 -0.151 8.559 1.00 0.00 C ATOM 1824 C HIS A 115 10.133 1.003 7.842 1.00 0.00 C ATOM 1825 O HIS A 115 10.617 2.135 7.853 1.00 0.00 O ATOM 1826 CB HIS A 115 11.876 -0.781 7.638 1.00 0.00 C ATOM 1827 CG HIS A 115 12.719 -1.821 8.309 1.00 0.00 C ATOM 1828 ND1 HIS A 115 13.672 -1.521 9.259 1.00 0.00 N ATOM 1829 CD2 HIS A 115 12.748 -3.168 8.162 1.00 0.00 C ATOM 1830 CE1 HIS A 115 14.253 -2.636 9.666 1.00 0.00 C ATOM 1831 NE2 HIS A 115 13.710 -3.649 9.016 1.00 0.00 N ATOM 0 H HIS A 115 10.068 -2.098 8.671 1.00 0.00 H new ATOM 0 HA HIS A 115 11.331 0.239 9.445 1.00 0.00 H new ATOM 0 HB2 HIS A 115 11.371 -1.231 6.784 1.00 0.00 H new ATOM 0 HB3 HIS A 115 12.524 0.004 7.248 1.00 0.00 H new ATOM 0 HD2 HIS A 115 12.130 -3.754 7.497 1.00 0.00 H new ATOM 0 HE1 HIS A 115 15.038 -2.707 10.404 1.00 0.00 H new ATOM 0 HE2 HIS A 115 13.964 -4.630 9.130 1.00 0.00 H new ATOM 1840 N ALA A 116 8.988 0.710 7.224 1.00 0.00 N ATOM 1841 CA ALA A 116 8.226 1.728 6.511 1.00 0.00 C ATOM 1842 C ALA A 116 7.583 2.706 7.489 1.00 0.00 C ATOM 1843 O ALA A 116 7.590 3.917 7.268 1.00 0.00 O ATOM 1844 CB ALA A 116 7.166 1.077 5.634 1.00 0.00 C ATOM 0 H ALA A 116 8.572 -0.221 7.204 1.00 0.00 H new ATOM 0 HA ALA A 116 8.911 2.286 5.873 1.00 0.00 H new ATOM 0 HB1 ALA A 116 6.605 1.849 5.108 1.00 0.00 H new ATOM 0 HB2 ALA A 116 7.647 0.420 4.909 1.00 0.00 H new ATOM 0 HB3 ALA A 116 6.486 0.495 6.256 1.00 0.00 H new ATOM 1850 N PHE A 117 7.031 2.169 8.572 1.00 0.00 N ATOM 1851 CA PHE A 117 6.385 2.988 9.590 1.00 0.00 C ATOM 1852 C PHE A 117 7.368 3.992 10.190 1.00 0.00 C ATOM 1853 O PHE A 117 6.963 5.009 10.754 1.00 0.00 O ATOM 1854 CB PHE A 117 5.808 2.101 10.695 1.00 0.00 C ATOM 1855 CG PHE A 117 4.434 1.576 10.391 1.00 0.00 C ATOM 1856 CD1 PHE A 117 4.267 0.420 9.645 1.00 0.00 C ATOM 1857 CD2 PHE A 117 3.306 2.235 10.855 1.00 0.00 C ATOM 1858 CE1 PHE A 117 3.006 -0.066 9.368 1.00 0.00 C ATOM 1859 CE2 PHE A 117 2.042 1.752 10.582 1.00 0.00 C ATOM 1860 CZ PHE A 117 1.892 0.600 9.838 1.00 0.00 C ATOM 0 H PHE A 117 7.018 1.168 8.767 1.00 0.00 H new ATOM 0 HA PHE A 117 5.575 3.541 9.114 1.00 0.00 H new ATOM 0 HB2 PHE A 117 6.480 1.259 10.862 1.00 0.00 H new ATOM 0 HB3 PHE A 117 5.773 2.670 11.624 1.00 0.00 H new ATOM 0 HD1 PHE A 117 5.135 -0.107 9.276 1.00 0.00 H new ATOM 0 HD2 PHE A 117 3.418 3.138 11.437 1.00 0.00 H new ATOM 0 HE1 PHE A 117 2.890 -0.967 8.784 1.00 0.00 H new ATOM 0 HE2 PHE A 117 1.172 2.275 10.950 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.904 0.220 9.624 1.00 0.00 H new ATOM 1870 N GLU A 118 8.660 3.700 10.064 1.00 0.00 N ATOM 1871 CA GLU A 118 9.701 4.575 10.594 1.00 0.00 C ATOM 1872 C GLU A 118 9.578 5.990 10.031 1.00 0.00 C ATOM 1873 O GLU A 118 10.090 6.944 10.616 1.00 0.00 O ATOM 1874 CB GLU A 118 11.083 4.009 10.275 1.00 0.00 C ATOM 1875 CG GLU A 118 11.378 2.692 10.975 1.00 0.00 C ATOM 1876 CD GLU A 118 12.381 2.843 12.102 1.00 0.00 C ATOM 1877 OE1 GLU A 118 12.499 3.960 12.646 1.00 0.00 O ATOM 1878 OE2 GLU A 118 13.047 1.842 12.440 1.00 0.00 O ATOM 0 H GLU A 118 9.011 2.863 9.599 1.00 0.00 H new ATOM 0 HA GLU A 118 9.573 4.626 11.675 1.00 0.00 H new ATOM 0 HB2 GLU A 118 11.168 3.865 9.198 1.00 0.00 H new ATOM 0 HB3 GLU A 118 11.840 4.740 10.560 1.00 0.00 H new ATOM 0 HG2 GLU A 118 10.450 2.280 11.372 1.00 0.00 H new ATOM 0 HG3 GLU A 118 11.759 1.976 10.248 1.00 0.00 H new