USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 851 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 48 GLN :FLIP amide:sc= -2.97! C(o=-8.6!,f=-2!) USER MOD Set 1.2: A 68 SER OG : rot 174:sc= 0.953 USER MOD Set 2.1: A 34 TYR OH : rot 180:sc= -0.258 USER MOD Set 2.2: A 88 ASN : amide:sc= -0.199 X(o=-0.46,f=-0.29) USER MOD Single : A 1 ARG N :NH3+ -132:sc= 0.088 (180deg=-0.192) USER MOD Single : A 3 SER OG : rot 180:sc= 0.0534 USER MOD Single : A 4 HIS : no HE2:sc= -4.66! C(o=-4.7!,f=-7.9!) USER MOD Single : A 5 HIS : no HE2:sc= -0.648 K(o=-0.65,f=-2.1) USER MOD Single : A 6 HIS : no HD1:sc= -0.0886 K(o=-0.089,f=-0.61) USER MOD Single : A 7 HIS : no HD1:sc= -0.0524 X(o=-0.052,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 128:sc= -2.08! USER MOD Single : A 14 GLN : amide:sc= -0.601 X(o=-0.6,f=-1) USER MOD Single : A 16 THR OG1 : rot 170:sc= -2.12! USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.41 USER MOD Single : A 20 GLN : amide:sc= -0.627 K(o=-0.63,f=-1.3) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 135:sc= -0.464! USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 164:sc= -0.47 (180deg=-1.54!) USER MOD Single : A 33 LYS NZ :NH3+ -145:sc= -0.145 (180deg=-1.03) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 15:sc= 0.724 USER MOD Single : A 49 HIS : no HE2:sc= -5.64! C(o=-5.6!,f=-7.3!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 162:sc= 0.036 (180deg=0.00331) USER MOD Single : A 62 ASN : amide:sc= -0.18 K(o=-0.18,f=-1.6!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN :FLIP amide:sc= -3.53 F(o=-4.9!,f=-3.5) USER MOD Single : A 81 MET CE :methyl -121:sc= -1.36 (180deg=-4.61!) USER MOD Single : A 82 SER OG : rot 97:sc= -4.8! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 MET CE :methyl 135:sc= -0.164 (180deg=-1.94) USER MOD Single : A 96 THR OG1 : rot 180:sc= -4.4! USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 165:sc= -0.241 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 1.085 7.318 -10.077 1.00 0.00 N ATOM 2 CA ARG A 1 1.125 7.308 -8.588 1.00 0.00 C ATOM 3 C ARG A 1 1.306 8.736 -8.071 1.00 0.00 C ATOM 4 O ARG A 1 1.413 9.674 -8.836 1.00 0.00 O ATOM 5 CB ARG A 1 2.297 6.443 -8.115 1.00 0.00 C ATOM 6 CG ARG A 1 2.026 4.980 -8.468 1.00 0.00 C ATOM 7 CD ARG A 1 3.119 4.099 -7.860 1.00 0.00 C ATOM 8 NE ARG A 1 4.451 4.553 -8.349 1.00 0.00 N ATOM 9 CZ ARG A 1 5.457 3.721 -8.367 1.00 0.00 C ATOM 10 NH1 ARG A 1 5.305 2.524 -8.863 1.00 0.00 N ATOM 11 NH2 ARG A 1 6.615 4.088 -7.889 1.00 0.00 N ATOM 0 H1 ARG A 1 0.276 6.753 -10.406 1.00 0.00 H new ATOM 0 H2 ARG A 1 0.985 8.296 -10.415 1.00 0.00 H new ATOM 0 H3 ARG A 1 1.966 6.911 -10.451 1.00 0.00 H new ATOM 0 HA ARG A 1 0.191 6.899 -8.203 1.00 0.00 H new ATOM 0 HB2 ARG A 1 3.222 6.776 -8.585 1.00 0.00 H new ATOM 0 HB3 ARG A 1 2.430 6.550 -7.038 1.00 0.00 H new ATOM 0 HG2 ARG A 1 1.049 4.678 -8.091 1.00 0.00 H new ATOM 0 HG3 ARG A 1 2.002 4.854 -9.550 1.00 0.00 H new ATOM 0 HD2 ARG A 1 3.081 4.153 -6.772 1.00 0.00 H new ATOM 0 HD3 ARG A 1 2.955 3.057 -8.133 1.00 0.00 H new ATOM 0 HE ARG A 1 4.577 5.513 -8.669 1.00 0.00 H new ATOM 0 HH11 ARG A 1 4.400 2.238 -9.237 1.00 0.00 H new ATOM 0 HH12 ARG A 1 6.091 1.874 -8.877 1.00 0.00 H new ATOM 0 HH21 ARG A 1 6.733 5.024 -7.502 1.00 0.00 H new ATOM 0 HH22 ARG A 1 7.401 3.439 -7.903 1.00 0.00 H new ATOM 27 N GLY A 2 1.340 8.910 -6.778 1.00 0.00 N ATOM 28 CA GLY A 2 1.513 10.278 -6.214 1.00 0.00 C ATOM 29 C GLY A 2 0.141 10.876 -5.898 1.00 0.00 C ATOM 30 O GLY A 2 0.024 12.035 -5.552 1.00 0.00 O ATOM 0 H GLY A 2 1.255 8.164 -6.088 1.00 0.00 H new ATOM 0 HA2 GLY A 2 2.120 10.236 -5.310 1.00 0.00 H new ATOM 0 HA3 GLY A 2 2.043 10.912 -6.925 1.00 0.00 H new ATOM 34 N SER A 3 -0.899 10.095 -6.012 1.00 0.00 N ATOM 35 CA SER A 3 -2.261 10.622 -5.718 1.00 0.00 C ATOM 36 C SER A 3 -2.331 11.067 -4.256 1.00 0.00 C ATOM 37 O SER A 3 -3.120 11.919 -3.895 1.00 0.00 O ATOM 38 CB SER A 3 -3.296 9.522 -5.967 1.00 0.00 C ATOM 39 OG SER A 3 -3.151 8.506 -4.986 1.00 0.00 O ATOM 0 H SER A 3 -0.864 9.116 -6.296 1.00 0.00 H new ATOM 0 HA SER A 3 -2.470 11.473 -6.366 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.302 9.939 -5.928 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.163 9.102 -6.964 1.00 0.00 H new ATOM 0 HG SER A 3 -3.814 7.802 -5.144 1.00 0.00 H new ATOM 45 N HIS A 4 -1.513 10.500 -3.413 1.00 0.00 N ATOM 46 CA HIS A 4 -1.534 10.892 -1.976 1.00 0.00 C ATOM 47 C HIS A 4 -2.882 10.507 -1.362 1.00 0.00 C ATOM 48 O HIS A 4 -3.299 11.059 -0.363 1.00 0.00 O ATOM 49 CB HIS A 4 -1.333 12.405 -1.858 1.00 0.00 C ATOM 50 CG HIS A 4 -0.156 12.822 -2.695 1.00 0.00 C ATOM 51 ND1 HIS A 4 0.945 12.001 -2.883 1.00 0.00 N ATOM 52 CD2 HIS A 4 0.107 13.970 -3.401 1.00 0.00 C ATOM 53 CE1 HIS A 4 1.812 12.661 -3.672 1.00 0.00 C ATOM 54 NE2 HIS A 4 1.350 13.867 -4.017 1.00 0.00 N ATOM 0 H HIS A 4 -0.831 9.782 -3.657 1.00 0.00 H new ATOM 0 HA HIS A 4 -0.733 10.376 -1.446 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -2.231 12.928 -2.187 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -1.168 12.680 -0.816 1.00 0.00 H new ATOM 0 HD1 HIS A 4 1.074 11.067 -2.494 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -0.551 14.824 -3.468 1.00 0.00 H new ATOM 0 HE1 HIS A 4 2.766 12.265 -3.988 1.00 0.00 H new ATOM 62 N HIS A 5 -3.565 9.564 -1.951 1.00 0.00 N ATOM 63 CA HIS A 5 -4.885 9.147 -1.399 1.00 0.00 C ATOM 64 C HIS A 5 -4.849 7.653 -1.067 1.00 0.00 C ATOM 65 O HIS A 5 -4.533 6.829 -1.903 1.00 0.00 O ATOM 66 CB HIS A 5 -5.978 9.413 -2.436 1.00 0.00 C ATOM 67 CG HIS A 5 -5.987 10.875 -2.790 1.00 0.00 C ATOM 68 ND1 HIS A 5 -5.981 11.870 -1.825 1.00 0.00 N ATOM 69 CD2 HIS A 5 -6.000 11.525 -3.999 1.00 0.00 C ATOM 70 CE1 HIS A 5 -5.990 13.054 -2.463 1.00 0.00 C ATOM 71 NE2 HIS A 5 -6.002 12.902 -3.791 1.00 0.00 N ATOM 0 H HIS A 5 -3.267 9.065 -2.789 1.00 0.00 H new ATOM 0 HA HIS A 5 -5.097 9.716 -0.494 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -5.801 8.813 -3.329 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -6.950 9.118 -2.040 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -5.971 11.730 -0.815 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -6.008 11.042 -4.965 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -5.988 14.011 -1.963 1.00 0.00 H new ATOM 79 N HIS A 6 -5.171 7.298 0.146 1.00 0.00 N ATOM 80 CA HIS A 6 -5.155 5.858 0.531 1.00 0.00 C ATOM 81 C HIS A 6 -6.566 5.281 0.406 1.00 0.00 C ATOM 82 O HIS A 6 -6.767 4.085 0.488 1.00 0.00 O ATOM 83 CB HIS A 6 -4.674 5.722 1.977 1.00 0.00 C ATOM 84 CG HIS A 6 -3.331 6.382 2.124 1.00 0.00 C ATOM 85 ND1 HIS A 6 -3.195 7.748 2.313 1.00 0.00 N ATOM 86 CD2 HIS A 6 -2.054 5.877 2.110 1.00 0.00 C ATOM 87 CE1 HIS A 6 -1.879 8.016 2.406 1.00 0.00 C ATOM 88 NE2 HIS A 6 -1.139 6.910 2.288 1.00 0.00 N ATOM 0 H HIS A 6 -5.445 7.943 0.888 1.00 0.00 H new ATOM 0 HA HIS A 6 -4.480 5.313 -0.129 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -5.393 6.182 2.655 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -4.605 4.669 2.251 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -1.799 4.836 1.980 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -1.471 9.005 2.558 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -0.122 6.838 2.321 1.00 0.00 H new ATOM 96 N HIS A 7 -7.546 6.120 0.210 1.00 0.00 N ATOM 97 CA HIS A 7 -8.943 5.618 0.081 1.00 0.00 C ATOM 98 C HIS A 7 -9.541 6.107 -1.240 1.00 0.00 C ATOM 99 O HIS A 7 -9.387 7.252 -1.616 1.00 0.00 O ATOM 100 CB HIS A 7 -9.783 6.143 1.246 1.00 0.00 C ATOM 101 CG HIS A 7 -9.272 5.562 2.536 1.00 0.00 C ATOM 102 ND1 HIS A 7 -9.917 4.522 3.186 1.00 0.00 N ATOM 103 CD2 HIS A 7 -8.178 5.866 3.308 1.00 0.00 C ATOM 104 CE1 HIS A 7 -9.213 4.239 4.298 1.00 0.00 C ATOM 105 NE2 HIS A 7 -8.143 5.029 4.420 1.00 0.00 N ATOM 0 H HIS A 7 -7.440 7.132 0.134 1.00 0.00 H new ATOM 0 HA HIS A 7 -8.940 4.528 0.097 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -9.735 7.231 1.281 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -10.830 5.874 1.103 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -7.455 6.637 3.086 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -9.481 3.468 5.005 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -7.449 5.021 5.168 1.00 0.00 H new ATOM 113 N HIS A 8 -10.224 5.249 -1.946 1.00 0.00 N ATOM 114 CA HIS A 8 -10.830 5.667 -3.242 1.00 0.00 C ATOM 115 C HIS A 8 -11.840 6.788 -2.991 1.00 0.00 C ATOM 116 O HIS A 8 -11.956 7.718 -3.765 1.00 0.00 O ATOM 117 CB HIS A 8 -11.542 4.473 -3.881 1.00 0.00 C ATOM 118 CG HIS A 8 -12.030 4.856 -5.251 1.00 0.00 C ATOM 119 ND1 HIS A 8 -11.162 5.090 -6.307 1.00 0.00 N ATOM 120 CD2 HIS A 8 -13.293 5.050 -5.755 1.00 0.00 C ATOM 121 CE1 HIS A 8 -11.906 5.408 -7.381 1.00 0.00 C ATOM 122 NE2 HIS A 8 -13.212 5.399 -7.100 1.00 0.00 N ATOM 0 H HIS A 8 -10.389 4.278 -1.682 1.00 0.00 H new ATOM 0 HA HIS A 8 -10.048 6.024 -3.912 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -10.862 3.624 -3.950 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -12.380 4.160 -3.259 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -14.210 4.947 -5.193 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -11.497 5.642 -8.353 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -13.984 5.604 -7.735 1.00 0.00 H new ATOM 130 N HIS A 9 -12.574 6.709 -1.915 1.00 0.00 N ATOM 131 CA HIS A 9 -13.575 7.772 -1.617 1.00 0.00 C ATOM 132 C HIS A 9 -12.912 9.144 -1.744 1.00 0.00 C ATOM 133 O HIS A 9 -13.552 10.126 -2.068 1.00 0.00 O ATOM 134 CB HIS A 9 -14.103 7.590 -0.193 1.00 0.00 C ATOM 135 CG HIS A 9 -14.976 6.366 -0.135 1.00 0.00 C ATOM 136 ND1 HIS A 9 -14.605 5.227 0.561 1.00 0.00 N ATOM 137 CD2 HIS A 9 -16.203 6.089 -0.683 1.00 0.00 C ATOM 138 CE1 HIS A 9 -15.592 4.323 0.415 1.00 0.00 C ATOM 139 NE2 HIS A 9 -16.591 4.798 -0.334 1.00 0.00 N ATOM 0 H HIS A 9 -12.524 5.955 -1.230 1.00 0.00 H new ATOM 0 HA HIS A 9 -14.403 7.701 -2.323 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -13.272 7.490 0.505 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -14.671 8.469 0.111 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -16.780 6.769 -1.292 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -15.578 3.335 0.850 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -17.453 4.318 -0.594 1.00 0.00 H new ATOM 147 N GLY A 10 -11.634 9.222 -1.494 1.00 0.00 N ATOM 148 CA GLY A 10 -10.931 10.531 -1.603 1.00 0.00 C ATOM 149 C GLY A 10 -10.937 10.990 -3.062 1.00 0.00 C ATOM 150 O GLY A 10 -11.525 10.360 -3.919 1.00 0.00 O ATOM 0 H GLY A 10 -11.046 8.435 -1.219 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.422 11.274 -0.974 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.906 10.437 -1.244 1.00 0.00 H new ATOM 154 N SER A 11 -10.288 12.084 -3.354 1.00 0.00 N ATOM 155 CA SER A 11 -10.258 12.579 -4.758 1.00 0.00 C ATOM 156 C SER A 11 -9.058 13.509 -4.947 1.00 0.00 C ATOM 157 O SER A 11 -8.537 14.064 -4.002 1.00 0.00 O ATOM 158 CB SER A 11 -11.549 13.346 -5.055 1.00 0.00 C ATOM 159 OG SER A 11 -11.803 13.322 -6.452 1.00 0.00 O ATOM 0 H SER A 11 -9.778 12.656 -2.681 1.00 0.00 H new ATOM 0 HA SER A 11 -10.172 11.733 -5.440 1.00 0.00 H new ATOM 0 HB2 SER A 11 -12.383 12.898 -4.515 1.00 0.00 H new ATOM 0 HB3 SER A 11 -11.461 14.376 -4.708 1.00 0.00 H new ATOM 0 HG SER A 11 -12.717 13.007 -6.613 1.00 0.00 H new ATOM 165 N ALA A 12 -8.615 13.681 -6.163 1.00 0.00 N ATOM 166 CA ALA A 12 -7.448 14.573 -6.411 1.00 0.00 C ATOM 167 C ALA A 12 -7.906 15.807 -7.191 1.00 0.00 C ATOM 168 O ALA A 12 -8.911 15.784 -7.875 1.00 0.00 O ATOM 169 CB ALA A 12 -6.393 13.819 -7.222 1.00 0.00 C ATOM 0 H ALA A 12 -9.011 13.242 -6.994 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.019 14.884 -5.458 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.539 14.471 -7.404 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.066 12.940 -6.666 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.821 13.507 -8.175 1.00 0.00 H new ATOM 175 N VAL A 13 -7.177 16.884 -7.096 1.00 0.00 N ATOM 176 CA VAL A 13 -7.568 18.119 -7.831 1.00 0.00 C ATOM 177 C VAL A 13 -6.400 18.585 -8.703 1.00 0.00 C ATOM 178 O VAL A 13 -5.296 18.771 -8.229 1.00 0.00 O ATOM 179 CB VAL A 13 -7.927 19.218 -6.828 1.00 0.00 C ATOM 180 CG1 VAL A 13 -8.676 20.341 -7.546 1.00 0.00 C ATOM 181 CG2 VAL A 13 -8.818 18.632 -5.729 1.00 0.00 C ATOM 0 H VAL A 13 -6.326 16.962 -6.540 1.00 0.00 H new ATOM 0 HA VAL A 13 -8.431 17.908 -8.463 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.015 19.617 -6.384 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.931 21.123 -6.831 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -8.043 20.758 -8.329 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.589 19.944 -7.990 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.075 19.413 -5.014 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.730 18.233 -6.174 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.285 17.832 -5.216 1.00 0.00 H new ATOM 191 N GLN A 14 -6.632 18.776 -9.973 1.00 0.00 N ATOM 192 CA GLN A 14 -5.530 19.231 -10.868 1.00 0.00 C ATOM 193 C GLN A 14 -5.698 20.724 -11.156 1.00 0.00 C ATOM 194 O GLN A 14 -6.709 21.158 -11.672 1.00 0.00 O ATOM 195 CB GLN A 14 -5.572 18.444 -12.180 1.00 0.00 C ATOM 196 CG GLN A 14 -5.274 16.970 -11.900 1.00 0.00 C ATOM 197 CD GLN A 14 -4.002 16.857 -11.057 1.00 0.00 C ATOM 198 OE1 GLN A 14 -3.024 17.528 -11.318 1.00 0.00 O ATOM 199 NE2 GLN A 14 -3.976 16.030 -10.048 1.00 0.00 N ATOM 0 H GLN A 14 -7.534 18.637 -10.429 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.570 19.060 -10.381 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.552 18.546 -12.646 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -4.842 18.847 -12.882 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -6.112 16.512 -11.375 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.151 16.429 -12.838 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -4.798 15.467 -9.829 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -3.134 15.947 -9.478 1.00 0.00 H new ATOM 208 N VAL A 15 -4.716 21.514 -10.821 1.00 0.00 N ATOM 209 CA VAL A 15 -4.820 22.978 -11.066 1.00 0.00 C ATOM 210 C VAL A 15 -3.565 23.470 -11.791 1.00 0.00 C ATOM 211 O VAL A 15 -2.465 23.039 -11.510 1.00 0.00 O ATOM 212 CB VAL A 15 -4.942 23.699 -9.724 1.00 0.00 C ATOM 213 CG1 VAL A 15 -3.614 23.600 -8.976 1.00 0.00 C ATOM 214 CG2 VAL A 15 -5.291 25.169 -9.959 1.00 0.00 C ATOM 0 H VAL A 15 -3.845 21.208 -10.388 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.696 23.184 -11.681 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.730 23.235 -9.131 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.697 24.113 -8.018 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.369 22.551 -8.806 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.827 24.065 -9.570 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.377 25.680 -9.000 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.506 25.639 -10.552 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.239 25.237 -10.493 1.00 0.00 H new ATOM 224 N THR A 16 -3.718 24.373 -12.722 1.00 0.00 N ATOM 225 CA THR A 16 -2.532 24.893 -13.460 1.00 0.00 C ATOM 226 C THR A 16 -2.704 26.392 -13.715 1.00 0.00 C ATOM 227 O THR A 16 -3.798 26.873 -13.929 1.00 0.00 O ATOM 228 CB THR A 16 -2.398 24.159 -14.797 1.00 0.00 C ATOM 229 OG1 THR A 16 -3.415 24.604 -15.684 1.00 0.00 O ATOM 230 CG2 THR A 16 -2.538 22.652 -14.570 1.00 0.00 C ATOM 0 H THR A 16 -4.613 24.773 -13.003 1.00 0.00 H new ATOM 0 HA THR A 16 -1.634 24.727 -12.864 1.00 0.00 H new ATOM 0 HB THR A 16 -1.420 24.369 -15.231 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.237 24.261 -16.584 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.443 22.130 -15.522 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.757 22.312 -13.890 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.515 22.439 -14.136 1.00 0.00 H new ATOM 238 N PHE A 17 -1.630 27.133 -13.696 1.00 0.00 N ATOM 239 CA PHE A 17 -1.729 28.601 -13.940 1.00 0.00 C ATOM 240 C PHE A 17 -0.956 28.958 -15.208 1.00 0.00 C ATOM 241 O PHE A 17 0.012 28.314 -15.554 1.00 0.00 O ATOM 242 CB PHE A 17 -1.112 29.364 -12.765 1.00 0.00 C ATOM 243 CG PHE A 17 -1.794 28.977 -11.476 1.00 0.00 C ATOM 244 CD1 PHE A 17 -1.715 27.659 -11.007 1.00 0.00 C ATOM 245 CD2 PHE A 17 -2.497 29.940 -10.744 1.00 0.00 C ATOM 246 CE1 PHE A 17 -2.342 27.306 -9.807 1.00 0.00 C ATOM 247 CE2 PHE A 17 -3.121 29.588 -9.543 1.00 0.00 C ATOM 248 CZ PHE A 17 -3.044 28.270 -9.073 1.00 0.00 C ATOM 0 H PHE A 17 -0.687 26.785 -13.522 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.779 28.872 -14.049 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.046 29.146 -12.700 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.209 30.437 -12.928 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.171 26.916 -11.571 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.558 30.956 -11.107 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.285 26.290 -9.447 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.662 30.332 -8.978 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.526 27.998 -8.145 1.00 0.00 H new ATOM 258 N THR A 18 -1.361 29.985 -15.900 1.00 0.00 N ATOM 259 CA THR A 18 -0.621 30.377 -17.132 1.00 0.00 C ATOM 260 C THR A 18 -0.625 31.901 -17.263 1.00 0.00 C ATOM 261 O THR A 18 -1.659 32.535 -17.221 1.00 0.00 O ATOM 262 CB THR A 18 -1.284 29.748 -18.359 1.00 0.00 C ATOM 263 OG1 THR A 18 -1.382 28.342 -18.174 1.00 0.00 O ATOM 264 CG2 THR A 18 -0.444 30.045 -19.603 1.00 0.00 C ATOM 0 H THR A 18 -2.166 30.567 -15.669 1.00 0.00 H new ATOM 0 HA THR A 18 0.407 30.022 -17.065 1.00 0.00 H new ATOM 0 HB THR A 18 -2.282 30.167 -18.489 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.808 27.938 -18.959 1.00 0.00 H new ATOM 0 HG21 THR A 18 -0.917 29.597 -20.477 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.371 31.123 -19.743 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.555 29.627 -19.476 1.00 0.00 H new ATOM 272 N VAL A 19 0.528 32.493 -17.424 1.00 0.00 N ATOM 273 CA VAL A 19 0.591 33.976 -17.559 1.00 0.00 C ATOM 274 C VAL A 19 0.129 34.373 -18.961 1.00 0.00 C ATOM 275 O VAL A 19 0.510 33.766 -19.941 1.00 0.00 O ATOM 276 CB VAL A 19 2.032 34.445 -17.344 1.00 0.00 C ATOM 277 CG1 VAL A 19 2.056 35.968 -17.196 1.00 0.00 C ATOM 278 CG2 VAL A 19 2.594 33.800 -16.075 1.00 0.00 C ATOM 0 H VAL A 19 1.428 32.014 -17.468 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.056 34.441 -16.815 1.00 0.00 H new ATOM 0 HB VAL A 19 2.641 34.154 -18.200 1.00 0.00 H new ATOM 0 HG11 VAL A 19 3.082 36.303 -17.043 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.655 36.428 -18.100 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.448 36.260 -16.340 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.620 34.134 -15.921 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.986 34.091 -15.219 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.577 32.715 -16.180 1.00 0.00 H new ATOM 288 N GLN A 20 -0.691 35.382 -19.071 1.00 0.00 N ATOM 289 CA GLN A 20 -1.171 35.799 -20.418 1.00 0.00 C ATOM 290 C GLN A 20 -0.645 37.197 -20.748 1.00 0.00 C ATOM 291 O GLN A 20 -0.345 37.984 -19.872 1.00 0.00 O ATOM 292 CB GLN A 20 -2.700 35.815 -20.431 1.00 0.00 C ATOM 293 CG GLN A 20 -3.230 34.421 -20.093 1.00 0.00 C ATOM 294 CD GLN A 20 -2.722 33.417 -21.130 1.00 0.00 C ATOM 295 OE1 GLN A 20 -2.579 33.745 -22.292 1.00 0.00 O ATOM 296 NE2 GLN A 20 -2.439 32.199 -20.757 1.00 0.00 N ATOM 0 H GLN A 20 -1.048 35.933 -18.290 1.00 0.00 H new ATOM 0 HA GLN A 20 -0.805 35.093 -21.163 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -3.072 36.542 -19.709 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.062 36.125 -21.411 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.902 34.127 -19.096 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.320 34.428 -20.081 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.559 31.923 -19.782 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.098 31.523 -21.440 1.00 0.00 H new ATOM 305 N LYS A 21 -0.536 37.508 -22.010 1.00 0.00 N ATOM 306 CA LYS A 21 -0.036 38.852 -22.416 1.00 0.00 C ATOM 307 C LYS A 21 -0.754 39.939 -21.611 1.00 0.00 C ATOM 308 O LYS A 21 -1.925 40.192 -21.812 1.00 0.00 O ATOM 309 CB LYS A 21 -0.326 39.060 -23.903 1.00 0.00 C ATOM 310 CG LYS A 21 0.541 38.109 -24.731 1.00 0.00 C ATOM 311 CD LYS A 21 0.304 38.370 -26.220 1.00 0.00 C ATOM 312 CE LYS A 21 -1.176 38.158 -26.545 1.00 0.00 C ATOM 313 NZ LYS A 21 -1.303 37.206 -27.685 1.00 0.00 N ATOM 0 H LYS A 21 -0.773 36.885 -22.782 1.00 0.00 H new ATOM 0 HA LYS A 21 1.036 38.912 -22.228 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.381 38.878 -24.107 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.121 40.093 -24.183 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.594 38.255 -24.488 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.298 37.074 -24.489 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.601 39.388 -26.474 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.919 37.699 -26.820 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -1.699 37.768 -25.672 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.644 39.109 -26.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -2.309 37.062 -27.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.818 37.595 -28.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.871 36.296 -27.427 1.00 0.00 H new ATOM 327 N GLY A 22 -0.069 40.596 -20.714 1.00 0.00 N ATOM 328 CA GLY A 22 -0.740 41.670 -19.926 1.00 0.00 C ATOM 329 C GLY A 22 -0.185 41.721 -18.500 1.00 0.00 C ATOM 330 O GLY A 22 -0.533 42.593 -17.728 1.00 0.00 O ATOM 0 H GLY A 22 0.915 40.439 -20.494 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.591 42.633 -20.414 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.815 41.490 -19.897 1.00 0.00 H new ATOM 334 N SER A 23 0.665 40.802 -18.131 1.00 0.00 N ATOM 335 CA SER A 23 1.217 40.825 -16.746 1.00 0.00 C ATOM 336 C SER A 23 2.013 42.117 -16.538 1.00 0.00 C ATOM 337 O SER A 23 2.681 42.596 -17.433 1.00 0.00 O ATOM 338 CB SER A 23 2.131 39.617 -16.536 1.00 0.00 C ATOM 339 OG SER A 23 2.983 39.465 -17.662 1.00 0.00 O ATOM 0 H SER A 23 0.999 40.042 -18.723 1.00 0.00 H new ATOM 0 HA SER A 23 0.398 40.783 -16.028 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.726 39.750 -15.632 1.00 0.00 H new ATOM 0 HB3 SER A 23 1.534 38.716 -16.394 1.00 0.00 H new ATOM 0 HG SER A 23 3.900 39.297 -17.358 1.00 0.00 H new ATOM 345 N ASP A 24 1.943 42.688 -15.365 1.00 0.00 N ATOM 346 CA ASP A 24 2.692 43.951 -15.106 1.00 0.00 C ATOM 347 C ASP A 24 3.369 43.876 -13.734 1.00 0.00 C ATOM 348 O ASP A 24 3.168 42.942 -12.984 1.00 0.00 O ATOM 349 CB ASP A 24 1.723 45.138 -15.132 1.00 0.00 C ATOM 350 CG ASP A 24 0.437 44.738 -15.860 1.00 0.00 C ATOM 351 OD1 ASP A 24 -0.212 43.809 -15.408 1.00 0.00 O ATOM 352 OD2 ASP A 24 0.123 45.367 -16.857 1.00 0.00 O ATOM 0 H ASP A 24 1.401 42.335 -14.577 1.00 0.00 H new ATOM 0 HA ASP A 24 3.450 44.084 -15.878 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.493 45.455 -14.115 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.187 45.988 -15.633 1.00 0.00 H new ATOM 357 N PRO A 25 4.190 44.888 -13.406 1.00 0.00 N ATOM 358 CA PRO A 25 4.905 44.945 -12.125 1.00 0.00 C ATOM 359 C PRO A 25 3.958 45.221 -10.952 1.00 0.00 C ATOM 360 O PRO A 25 4.203 44.811 -9.835 1.00 0.00 O ATOM 361 CB PRO A 25 5.867 46.119 -12.304 1.00 0.00 C ATOM 362 CG PRO A 25 5.224 46.980 -13.338 1.00 0.00 C ATOM 363 CD PRO A 25 4.483 46.051 -14.260 1.00 0.00 C ATOM 0 HA PRO A 25 5.398 44.001 -11.892 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.008 46.661 -11.369 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.851 45.779 -12.627 1.00 0.00 H new ATOM 0 HG2 PRO A 25 4.543 47.697 -12.879 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.971 47.555 -13.884 1.00 0.00 H new ATOM 0 HD2 PRO A 25 3.571 46.508 -14.644 1.00 0.00 H new ATOM 0 HD3 PRO A 25 5.088 45.774 -15.123 1.00 0.00 H new ATOM 371 N LYS A 26 2.876 45.908 -11.198 1.00 0.00 N ATOM 372 CA LYS A 26 1.914 46.202 -10.099 1.00 0.00 C ATOM 373 C LYS A 26 0.580 45.518 -10.406 1.00 0.00 C ATOM 374 O LYS A 26 -0.406 45.713 -9.722 1.00 0.00 O ATOM 375 CB LYS A 26 1.704 47.713 -9.991 1.00 0.00 C ATOM 376 CG LYS A 26 3.060 48.406 -9.843 1.00 0.00 C ATOM 377 CD LYS A 26 2.844 49.884 -9.512 1.00 0.00 C ATOM 378 CE LYS A 26 4.188 50.530 -9.169 1.00 0.00 C ATOM 379 NZ LYS A 26 4.035 51.381 -7.954 1.00 0.00 N ATOM 0 H LYS A 26 2.617 46.278 -12.112 1.00 0.00 H new ATOM 0 HA LYS A 26 2.309 45.828 -9.155 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.189 48.084 -10.877 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.070 47.943 -9.134 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.641 47.927 -9.055 1.00 0.00 H new ATOM 0 HG3 LYS A 26 3.633 48.309 -10.765 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.388 50.395 -10.360 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.156 49.983 -8.673 1.00 0.00 H new ATOM 0 HE2 LYS A 26 4.940 49.760 -8.994 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.538 51.133 -10.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.948 51.820 -7.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.330 52.124 -8.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.720 50.793 -7.156 1.00 0.00 H new ATOM 393 N LYS A 27 0.548 44.715 -11.433 1.00 0.00 N ATOM 394 CA LYS A 27 -0.708 44.007 -11.800 1.00 0.00 C ATOM 395 C LYS A 27 -0.354 42.602 -12.289 1.00 0.00 C ATOM 396 O LYS A 27 0.549 42.424 -13.081 1.00 0.00 O ATOM 397 CB LYS A 27 -1.416 44.774 -12.919 1.00 0.00 C ATOM 398 CG LYS A 27 -1.920 46.114 -12.378 1.00 0.00 C ATOM 399 CD LYS A 27 -2.635 46.879 -13.492 1.00 0.00 C ATOM 400 CE LYS A 27 -2.918 48.310 -13.028 1.00 0.00 C ATOM 401 NZ LYS A 27 -1.768 48.805 -12.220 1.00 0.00 N ATOM 0 H LYS A 27 1.345 44.518 -12.038 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.368 43.944 -10.935 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.731 44.940 -13.751 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.250 44.188 -13.305 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.600 45.948 -11.542 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.085 46.702 -11.997 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.020 46.892 -14.392 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.568 46.378 -13.751 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.077 48.959 -13.889 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.832 48.338 -12.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.825 49.840 -12.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.799 48.376 -11.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.877 48.545 -12.689 1.00 0.00 H new ATOM 415 N LEU A 28 -1.049 41.598 -11.827 1.00 0.00 N ATOM 416 CA LEU A 28 -0.724 40.217 -12.279 1.00 0.00 C ATOM 417 C LEU A 28 -1.962 39.579 -12.911 1.00 0.00 C ATOM 418 O LEU A 28 -3.006 39.460 -12.301 1.00 0.00 O ATOM 419 CB LEU A 28 -0.250 39.378 -11.084 1.00 0.00 C ATOM 420 CG LEU A 28 0.574 38.171 -11.553 1.00 0.00 C ATOM 421 CD1 LEU A 28 0.133 37.731 -12.950 1.00 0.00 C ATOM 422 CD2 LEU A 28 2.056 38.546 -11.581 1.00 0.00 C ATOM 0 H LEU A 28 -1.820 41.673 -11.163 1.00 0.00 H new ATOM 0 HA LEU A 28 0.074 40.257 -13.021 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.351 39.996 -10.416 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.112 39.035 -10.511 1.00 0.00 H new ATOM 0 HG LEU A 28 0.414 37.346 -10.859 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.728 36.874 -13.266 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.921 37.453 -12.928 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.277 38.552 -13.652 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.642 37.689 -11.914 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.208 39.378 -12.268 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.376 38.838 -10.581 1.00 0.00 H new ATOM 434 N VAL A 29 -1.825 39.154 -14.137 1.00 0.00 N ATOM 435 CA VAL A 29 -2.951 38.497 -14.852 1.00 0.00 C ATOM 436 C VAL A 29 -2.503 37.090 -15.237 1.00 0.00 C ATOM 437 O VAL A 29 -1.478 36.910 -15.864 1.00 0.00 O ATOM 438 CB VAL A 29 -3.287 39.291 -16.117 1.00 0.00 C ATOM 439 CG1 VAL A 29 -4.629 38.815 -16.676 1.00 0.00 C ATOM 440 CG2 VAL A 29 -3.377 40.780 -15.776 1.00 0.00 C ATOM 0 H VAL A 29 -0.966 39.237 -14.680 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.835 38.456 -14.216 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.506 39.135 -16.862 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.869 39.380 -17.577 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.566 37.754 -16.919 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.409 38.971 -15.931 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.616 41.346 -16.676 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.157 40.936 -15.031 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.421 41.120 -15.377 1.00 0.00 H new ATOM 450 N LEU A 30 -3.243 36.086 -14.863 1.00 0.00 N ATOM 451 CA LEU A 30 -2.822 34.700 -15.213 1.00 0.00 C ATOM 452 C LEU A 30 -4.044 33.835 -15.502 1.00 0.00 C ATOM 453 O LEU A 30 -5.071 33.959 -14.865 1.00 0.00 O ATOM 454 CB LEU A 30 -2.060 34.079 -14.036 1.00 0.00 C ATOM 455 CG LEU A 30 -0.841 34.931 -13.681 1.00 0.00 C ATOM 456 CD1 LEU A 30 -0.842 35.214 -12.176 1.00 0.00 C ATOM 457 CD2 LEU A 30 0.436 34.172 -14.052 1.00 0.00 C ATOM 0 H LEU A 30 -4.113 36.161 -14.335 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.184 34.746 -16.096 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.718 33.997 -13.171 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.743 33.068 -14.293 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.880 35.871 -14.231 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.026 35.821 -11.919 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.752 35.750 -11.907 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.800 34.272 -11.629 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.306 34.778 -13.799 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.475 33.233 -13.499 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.437 33.963 -15.122 1.00 0.00 H new ATOM 469 N ASP A 31 -3.927 32.925 -16.429 1.00 0.00 N ATOM 470 CA ASP A 31 -5.065 32.018 -16.716 1.00 0.00 C ATOM 471 C ASP A 31 -5.008 30.900 -15.682 1.00 0.00 C ATOM 472 O ASP A 31 -3.954 30.365 -15.399 1.00 0.00 O ATOM 473 CB ASP A 31 -4.933 31.438 -18.126 1.00 0.00 C ATOM 474 CG ASP A 31 -6.146 30.557 -18.431 1.00 0.00 C ATOM 475 OD1 ASP A 31 -6.099 29.384 -18.105 1.00 0.00 O ATOM 476 OD2 ASP A 31 -7.103 31.073 -18.986 1.00 0.00 O ATOM 0 H ASP A 31 -3.094 32.773 -16.997 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.014 32.552 -16.663 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.862 32.244 -18.857 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.016 30.854 -18.206 1.00 0.00 H new ATOM 481 N ILE A 32 -6.112 30.551 -15.089 1.00 0.00 N ATOM 482 CA ILE A 32 -6.062 29.484 -14.056 1.00 0.00 C ATOM 483 C ILE A 32 -6.944 28.307 -14.453 1.00 0.00 C ATOM 484 O ILE A 32 -8.100 28.460 -14.793 1.00 0.00 O ATOM 485 CB ILE A 32 -6.532 30.052 -12.718 1.00 0.00 C ATOM 486 CG1 ILE A 32 -5.474 31.014 -12.175 1.00 0.00 C ATOM 487 CG2 ILE A 32 -6.748 28.911 -11.723 1.00 0.00 C ATOM 488 CD1 ILE A 32 -6.019 31.728 -10.936 1.00 0.00 C ATOM 0 H ILE A 32 -7.033 30.950 -15.270 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.035 29.130 -13.967 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.471 30.587 -12.860 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.566 30.467 -11.922 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.205 31.743 -12.939 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.083 29.319 -10.769 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.503 28.228 -12.111 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.812 28.372 -11.578 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.265 32.413 -10.550 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.915 32.288 -11.203 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.266 30.992 -10.171 1.00 0.00 H new ATOM 500 N LYS A 33 -6.402 27.125 -14.383 1.00 0.00 N ATOM 501 CA LYS A 33 -7.195 25.914 -14.722 1.00 0.00 C ATOM 502 C LYS A 33 -7.418 25.118 -13.437 1.00 0.00 C ATOM 503 O LYS A 33 -6.484 24.701 -12.782 1.00 0.00 O ATOM 504 CB LYS A 33 -6.437 25.060 -15.739 1.00 0.00 C ATOM 505 CG LYS A 33 -6.315 25.823 -17.060 1.00 0.00 C ATOM 506 CD LYS A 33 -5.905 24.855 -18.172 1.00 0.00 C ATOM 507 CE LYS A 33 -5.901 25.592 -19.512 1.00 0.00 C ATOM 508 NZ LYS A 33 -7.244 26.192 -19.755 1.00 0.00 N ATOM 0 H LYS A 33 -5.438 26.945 -14.104 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.151 26.201 -15.159 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.446 24.814 -15.356 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.960 24.117 -15.899 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.265 26.297 -17.308 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.577 26.619 -16.966 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.916 24.446 -17.967 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.596 24.013 -18.210 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.139 26.371 -19.508 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.648 24.902 -20.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.461 26.156 -20.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.964 25.657 -19.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.245 27.182 -19.435 1.00 0.00 H new ATOM 522 N TYR A 34 -8.649 24.916 -13.068 1.00 0.00 N ATOM 523 CA TYR A 34 -8.938 24.159 -11.822 1.00 0.00 C ATOM 524 C TYR A 34 -9.775 22.926 -12.157 1.00 0.00 C ATOM 525 O TYR A 34 -10.915 23.031 -12.565 1.00 0.00 O ATOM 526 CB TYR A 34 -9.705 25.063 -10.861 1.00 0.00 C ATOM 527 CG TYR A 34 -9.997 24.314 -9.582 1.00 0.00 C ATOM 528 CD1 TYR A 34 -8.991 24.146 -8.623 1.00 0.00 C ATOM 529 CD2 TYR A 34 -11.275 23.787 -9.355 1.00 0.00 C ATOM 530 CE1 TYR A 34 -9.263 23.453 -7.438 1.00 0.00 C ATOM 531 CE2 TYR A 34 -11.546 23.093 -8.170 1.00 0.00 C ATOM 532 CZ TYR A 34 -10.540 22.926 -7.211 1.00 0.00 C ATOM 533 OH TYR A 34 -10.806 22.242 -6.042 1.00 0.00 O ATOM 0 H TYR A 34 -9.470 25.243 -13.577 1.00 0.00 H new ATOM 0 HA TYR A 34 -8.006 23.839 -11.356 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.122 25.958 -10.645 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.636 25.393 -11.322 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.005 24.551 -8.798 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -12.051 23.916 -10.095 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.487 23.325 -6.698 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.531 22.686 -7.996 1.00 0.00 H new ATOM 0 HH TYR A 34 -11.739 21.943 -6.043 1.00 0.00 H new ATOM 543 N THR A 35 -9.220 21.757 -11.993 1.00 0.00 N ATOM 544 CA THR A 35 -9.991 20.522 -12.309 1.00 0.00 C ATOM 545 C THR A 35 -10.217 19.715 -11.031 1.00 0.00 C ATOM 546 O THR A 35 -9.290 19.222 -10.420 1.00 0.00 O ATOM 547 CB THR A 35 -9.215 19.675 -13.321 1.00 0.00 C ATOM 548 OG1 THR A 35 -8.887 20.473 -14.450 1.00 0.00 O ATOM 549 CG2 THR A 35 -10.074 18.489 -13.762 1.00 0.00 C ATOM 0 H THR A 35 -8.270 21.604 -11.655 1.00 0.00 H new ATOM 0 HA THR A 35 -10.955 20.800 -12.735 1.00 0.00 H new ATOM 0 HB THR A 35 -8.300 19.304 -12.860 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.389 19.933 -15.098 1.00 0.00 H new ATOM 0 HG21 THR A 35 -9.520 17.887 -14.482 1.00 0.00 H new ATOM 0 HG22 THR A 35 -10.324 17.878 -12.894 1.00 0.00 H new ATOM 0 HG23 THR A 35 -10.991 18.856 -14.224 1.00 0.00 H new ATOM 557 N ARG A 36 -11.450 19.577 -10.626 1.00 0.00 N ATOM 558 CA ARG A 36 -11.750 18.802 -9.390 1.00 0.00 C ATOM 559 C ARG A 36 -13.109 18.115 -9.548 1.00 0.00 C ATOM 560 O ARG A 36 -14.127 18.760 -9.693 1.00 0.00 O ATOM 561 CB ARG A 36 -11.793 19.750 -8.191 1.00 0.00 C ATOM 562 CG ARG A 36 -11.616 18.948 -6.901 1.00 0.00 C ATOM 563 CD ARG A 36 -12.978 18.750 -6.234 1.00 0.00 C ATOM 564 NE ARG A 36 -13.034 17.399 -5.607 1.00 0.00 N ATOM 565 CZ ARG A 36 -12.675 17.242 -4.362 1.00 0.00 C ATOM 566 NH1 ARG A 36 -11.462 17.549 -3.990 1.00 0.00 N ATOM 567 NH2 ARG A 36 -13.529 16.781 -3.490 1.00 0.00 N ATOM 0 H ARG A 36 -12.264 19.969 -11.099 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.975 18.052 -9.229 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.006 20.499 -8.277 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.742 20.286 -8.171 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.162 17.981 -7.120 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.940 19.471 -6.224 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.140 19.520 -5.479 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.774 18.854 -6.971 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.353 16.597 -6.151 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.796 17.911 -4.672 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.181 17.427 -3.017 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.477 16.543 -3.781 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -13.248 16.658 -2.517 1.00 0.00 H new ATOM 581 N PRO A 37 -13.117 16.774 -9.522 1.00 0.00 N ATOM 582 CA PRO A 37 -14.348 15.985 -9.666 1.00 0.00 C ATOM 583 C PRO A 37 -15.265 16.128 -8.448 1.00 0.00 C ATOM 584 O PRO A 37 -14.873 15.864 -7.329 1.00 0.00 O ATOM 585 CB PRO A 37 -13.841 14.548 -9.775 1.00 0.00 C ATOM 586 CG PRO A 37 -12.517 14.564 -9.087 1.00 0.00 C ATOM 587 CD PRO A 37 -11.928 15.921 -9.349 1.00 0.00 C ATOM 0 HA PRO A 37 -14.942 16.308 -10.521 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -14.527 13.848 -9.298 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -13.743 14.240 -10.816 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.631 14.389 -8.017 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.868 13.777 -9.471 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.307 16.258 -8.519 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -11.298 15.922 -10.239 1.00 0.00 H new ATOM 595 N GLY A 38 -16.484 16.542 -8.659 1.00 0.00 N ATOM 596 CA GLY A 38 -17.427 16.700 -7.516 1.00 0.00 C ATOM 597 C GLY A 38 -17.450 18.162 -7.067 1.00 0.00 C ATOM 598 O GLY A 38 -18.349 18.594 -6.374 1.00 0.00 O ATOM 0 H GLY A 38 -16.868 16.778 -9.574 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -18.428 16.384 -7.811 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -17.121 16.060 -6.688 1.00 0.00 H new ATOM 602 N ASP A 39 -16.465 18.929 -7.452 1.00 0.00 N ATOM 603 CA ASP A 39 -16.434 20.360 -7.040 1.00 0.00 C ATOM 604 C ASP A 39 -15.889 21.219 -8.184 1.00 0.00 C ATOM 605 O ASP A 39 -15.616 20.733 -9.263 1.00 0.00 O ATOM 606 CB ASP A 39 -15.533 20.514 -5.814 1.00 0.00 C ATOM 607 CG ASP A 39 -16.377 20.936 -4.611 1.00 0.00 C ATOM 608 OD1 ASP A 39 -16.747 22.096 -4.548 1.00 0.00 O ATOM 609 OD2 ASP A 39 -16.641 20.090 -3.771 1.00 0.00 O ATOM 0 H ASP A 39 -15.683 18.626 -8.033 1.00 0.00 H new ATOM 0 HA ASP A 39 -17.445 20.687 -6.797 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -15.024 19.573 -5.603 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -14.760 21.258 -6.008 1.00 0.00 H new ATOM 614 N SER A 40 -15.731 22.495 -7.953 1.00 0.00 N ATOM 615 CA SER A 40 -15.206 23.391 -9.022 1.00 0.00 C ATOM 616 C SER A 40 -14.561 24.622 -8.380 1.00 0.00 C ATOM 617 O SER A 40 -14.793 24.923 -7.227 1.00 0.00 O ATOM 618 CB SER A 40 -16.358 23.833 -9.926 1.00 0.00 C ATOM 619 OG SER A 40 -16.655 22.800 -10.854 1.00 0.00 O ATOM 0 H SER A 40 -15.944 22.956 -7.068 1.00 0.00 H new ATOM 0 HA SER A 40 -14.463 22.857 -9.614 1.00 0.00 H new ATOM 0 HB2 SER A 40 -17.239 24.061 -9.325 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.088 24.746 -10.456 1.00 0.00 H new ATOM 0 HG SER A 40 -16.237 21.965 -10.558 1.00 0.00 H new ATOM 625 N LEU A 41 -13.754 25.338 -9.116 1.00 0.00 N ATOM 626 CA LEU A 41 -13.099 26.548 -8.543 1.00 0.00 C ATOM 627 C LEU A 41 -14.152 27.634 -8.309 1.00 0.00 C ATOM 628 O LEU A 41 -14.892 27.996 -9.201 1.00 0.00 O ATOM 629 CB LEU A 41 -12.042 27.066 -9.520 1.00 0.00 C ATOM 630 CG LEU A 41 -11.389 28.325 -8.946 1.00 0.00 C ATOM 631 CD1 LEU A 41 -10.805 28.013 -7.567 1.00 0.00 C ATOM 632 CD2 LEU A 41 -10.271 28.791 -9.880 1.00 0.00 C ATOM 0 H LEU A 41 -13.520 25.137 -10.088 1.00 0.00 H new ATOM 0 HA LEU A 41 -12.624 26.291 -7.596 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.287 26.300 -9.695 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.500 27.288 -10.484 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.137 29.112 -8.854 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -10.340 28.910 -7.158 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -11.602 27.681 -6.901 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.057 27.225 -7.658 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.806 29.688 -9.471 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.523 28.004 -9.973 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.687 29.014 -10.863 1.00 0.00 H new ATOM 644 N ALA A 42 -14.229 28.155 -7.114 1.00 0.00 N ATOM 645 CA ALA A 42 -15.238 29.212 -6.826 1.00 0.00 C ATOM 646 C ALA A 42 -14.532 30.522 -6.475 1.00 0.00 C ATOM 647 O ALA A 42 -14.906 31.582 -6.939 1.00 0.00 O ATOM 648 CB ALA A 42 -16.104 28.780 -5.642 1.00 0.00 C ATOM 0 H ALA A 42 -13.637 27.894 -6.326 1.00 0.00 H new ATOM 0 HA ALA A 42 -15.861 29.359 -7.708 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -16.843 29.553 -5.430 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -16.614 27.848 -5.885 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -15.474 28.631 -4.765 1.00 0.00 H new ATOM 654 N GLU A 43 -13.519 30.464 -5.655 1.00 0.00 N ATOM 655 CA GLU A 43 -12.802 31.716 -5.275 1.00 0.00 C ATOM 656 C GLU A 43 -11.290 31.485 -5.287 1.00 0.00 C ATOM 657 O GLU A 43 -10.810 30.410 -4.987 1.00 0.00 O ATOM 658 CB GLU A 43 -13.236 32.147 -3.873 1.00 0.00 C ATOM 659 CG GLU A 43 -14.700 32.590 -3.905 1.00 0.00 C ATOM 660 CD GLU A 43 -14.991 33.473 -2.688 1.00 0.00 C ATOM 661 OE1 GLU A 43 -15.171 32.925 -1.613 1.00 0.00 O ATOM 662 OE2 GLU A 43 -15.030 34.681 -2.854 1.00 0.00 O ATOM 0 H GLU A 43 -13.157 29.609 -5.233 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.049 32.496 -5.995 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.110 31.322 -3.172 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.606 32.963 -3.521 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.905 33.139 -4.824 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -15.355 31.719 -3.901 1.00 0.00 H new ATOM 669 N VAL A 44 -10.538 32.494 -5.636 1.00 0.00 N ATOM 670 CA VAL A 44 -9.056 32.354 -5.676 1.00 0.00 C ATOM 671 C VAL A 44 -8.413 33.631 -5.126 1.00 0.00 C ATOM 672 O VAL A 44 -8.831 34.726 -5.445 1.00 0.00 O ATOM 673 CB VAL A 44 -8.610 32.155 -7.126 1.00 0.00 C ATOM 674 CG1 VAL A 44 -7.085 32.046 -7.182 1.00 0.00 C ATOM 675 CG2 VAL A 44 -9.234 30.873 -7.680 1.00 0.00 C ATOM 0 H VAL A 44 -10.890 33.415 -5.897 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.751 31.498 -5.073 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.935 33.006 -7.725 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.768 31.904 -8.215 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.640 32.960 -6.788 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -6.759 31.196 -6.583 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.917 30.731 -8.713 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -8.910 30.022 -7.080 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.321 30.951 -7.642 1.00 0.00 H new ATOM 685 N GLU A 45 -7.393 33.513 -4.316 1.00 0.00 N ATOM 686 CA GLU A 45 -6.742 34.745 -3.780 1.00 0.00 C ATOM 687 C GLU A 45 -5.236 34.674 -4.042 1.00 0.00 C ATOM 688 O GLU A 45 -4.657 33.610 -4.122 1.00 0.00 O ATOM 689 CB GLU A 45 -7.011 34.874 -2.279 1.00 0.00 C ATOM 690 CG GLU A 45 -8.516 34.992 -2.037 1.00 0.00 C ATOM 691 CD GLU A 45 -8.776 35.244 -0.551 1.00 0.00 C ATOM 692 OE1 GLU A 45 -7.840 35.125 0.223 1.00 0.00 O ATOM 693 OE2 GLU A 45 -9.907 35.553 -0.210 1.00 0.00 O ATOM 0 H GLU A 45 -6.987 32.630 -4.006 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.156 35.620 -4.281 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.615 34.006 -1.752 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.499 35.750 -1.881 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.928 35.807 -2.632 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.019 34.079 -2.355 1.00 0.00 H new ATOM 700 N LEU A 46 -4.602 35.805 -4.200 1.00 0.00 N ATOM 701 CA LEU A 46 -3.140 35.812 -4.486 1.00 0.00 C ATOM 702 C LEU A 46 -2.386 36.578 -3.394 1.00 0.00 C ATOM 703 O LEU A 46 -2.749 37.678 -3.028 1.00 0.00 O ATOM 704 CB LEU A 46 -2.911 36.498 -5.835 1.00 0.00 C ATOM 705 CG LEU A 46 -1.429 36.838 -6.003 1.00 0.00 C ATOM 706 CD1 LEU A 46 -0.584 35.593 -5.739 1.00 0.00 C ATOM 707 CD2 LEU A 46 -1.182 37.320 -7.431 1.00 0.00 C ATOM 0 H LEU A 46 -5.036 36.726 -4.143 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.771 34.787 -4.511 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.237 35.845 -6.645 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.510 37.406 -5.897 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.154 37.620 -5.296 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.471 35.837 -5.859 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.762 35.242 -4.723 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.858 34.810 -6.447 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.127 37.564 -7.555 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -1.458 36.534 -8.133 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.784 38.207 -7.625 1.00 0.00 H new ATOM 719 N ARG A 47 -1.325 36.009 -2.885 1.00 0.00 N ATOM 720 CA ARG A 47 -0.530 36.703 -1.831 1.00 0.00 C ATOM 721 C ARG A 47 0.846 37.056 -2.397 1.00 0.00 C ATOM 722 O ARG A 47 1.564 36.204 -2.880 1.00 0.00 O ATOM 723 CB ARG A 47 -0.351 35.784 -0.622 1.00 0.00 C ATOM 724 CG ARG A 47 0.167 36.600 0.566 1.00 0.00 C ATOM 725 CD ARG A 47 0.951 35.697 1.527 1.00 0.00 C ATOM 726 NE ARG A 47 0.848 34.271 1.100 1.00 0.00 N ATOM 727 CZ ARG A 47 1.832 33.449 1.339 1.00 0.00 C ATOM 728 NH1 ARG A 47 3.066 33.840 1.173 1.00 0.00 N ATOM 729 NH2 ARG A 47 1.582 32.233 1.743 1.00 0.00 N ATOM 0 H ARG A 47 -0.974 35.090 -3.155 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.054 37.607 -1.521 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.300 35.312 -0.367 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.349 34.984 -0.860 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.807 37.408 0.210 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.669 37.063 1.091 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.997 36.002 1.551 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.563 35.809 2.540 1.00 0.00 H new ATOM 0 HE ARG A 47 0.010 33.940 0.622 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.262 34.789 0.856 1.00 0.00 H new ATOM 0 HH12 ARG A 47 3.835 33.196 1.360 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.618 31.926 1.871 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.351 31.590 1.930 1.00 0.00 H new ATOM 743 N GLN A 48 1.221 38.303 -2.339 1.00 0.00 N ATOM 744 CA GLN A 48 2.553 38.701 -2.872 1.00 0.00 C ATOM 745 C GLN A 48 3.646 38.044 -2.028 1.00 0.00 C ATOM 746 O GLN A 48 3.418 37.646 -0.903 1.00 0.00 O ATOM 747 CB GLN A 48 2.696 40.223 -2.804 1.00 0.00 C ATOM 748 CG GLN A 48 1.614 40.873 -3.668 1.00 0.00 C ATOM 749 CD GLN A 48 1.970 42.341 -3.914 1.00 0.00 C ATOM 750 OE1 GLN A 48 1.303 43.019 -4.807 1.00 0.00 O flip ATOM 751 NE2 GLN A 48 2.862 42.875 -3.287 1.00 0.00 N flip ATOM 0 H GLN A 48 0.664 39.062 -1.947 1.00 0.00 H new ATOM 0 HA GLN A 48 2.647 38.378 -3.909 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.606 40.562 -1.772 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.684 40.523 -3.153 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.526 40.345 -4.618 1.00 0.00 H new ATOM 0 HG3 GLN A 48 0.646 40.801 -3.172 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.383 42.344 -2.589 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.090 43.854 -3.458 1.00 0.00 H new ATOM 760 N HIS A 49 4.830 37.924 -2.560 1.00 0.00 N ATOM 761 CA HIS A 49 5.931 37.290 -1.782 1.00 0.00 C ATOM 762 C HIS A 49 6.447 38.276 -0.733 1.00 0.00 C ATOM 763 O HIS A 49 7.108 39.244 -1.049 1.00 0.00 O ATOM 764 CB HIS A 49 7.072 36.912 -2.727 1.00 0.00 C ATOM 765 CG HIS A 49 8.127 36.159 -1.964 1.00 0.00 C ATOM 766 ND1 HIS A 49 9.477 36.444 -2.095 1.00 0.00 N ATOM 767 CD2 HIS A 49 8.046 35.131 -1.058 1.00 0.00 C ATOM 768 CE1 HIS A 49 10.148 35.603 -1.287 1.00 0.00 C ATOM 769 NE2 HIS A 49 9.323 34.781 -0.632 1.00 0.00 N ATOM 0 H HIS A 49 5.083 38.237 -3.497 1.00 0.00 H new ATOM 0 HA HIS A 49 5.556 36.394 -1.287 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.693 36.299 -3.545 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.501 37.809 -3.173 1.00 0.00 H new ATOM 0 HD1 HIS A 49 9.887 37.160 -2.694 1.00 0.00 H new ATOM 0 HD2 HIS A 49 7.130 34.665 -0.726 1.00 0.00 H new ATOM 0 HE1 HIS A 49 11.223 35.594 -1.181 1.00 0.00 H new ATOM 777 N GLY A 50 6.156 38.033 0.517 1.00 0.00 N ATOM 778 CA GLY A 50 6.638 38.955 1.583 1.00 0.00 C ATOM 779 C GLY A 50 5.449 39.669 2.228 1.00 0.00 C ATOM 780 O GLY A 50 5.615 40.564 3.034 1.00 0.00 O ATOM 0 H GLY A 50 5.607 37.238 0.844 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.191 38.396 2.338 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.327 39.686 1.160 1.00 0.00 H new ATOM 784 N SER A 51 4.248 39.287 1.883 1.00 0.00 N ATOM 785 CA SER A 51 3.059 39.952 2.485 1.00 0.00 C ATOM 786 C SER A 51 2.273 38.938 3.316 1.00 0.00 C ATOM 787 O SER A 51 2.324 37.749 3.074 1.00 0.00 O ATOM 788 CB SER A 51 2.164 40.504 1.372 1.00 0.00 C ATOM 789 OG SER A 51 1.121 41.278 1.945 1.00 0.00 O ATOM 0 H SER A 51 4.041 38.546 1.213 1.00 0.00 H new ATOM 0 HA SER A 51 3.387 40.770 3.126 1.00 0.00 H new ATOM 0 HB2 SER A 51 2.752 41.116 0.688 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.745 39.685 0.788 1.00 0.00 H new ATOM 0 HG SER A 51 0.548 41.633 1.233 1.00 0.00 H new ATOM 795 N GLU A 52 1.545 39.399 4.295 1.00 0.00 N ATOM 796 CA GLU A 52 0.754 38.463 5.143 1.00 0.00 C ATOM 797 C GLU A 52 -0.724 38.563 4.762 1.00 0.00 C ATOM 798 O GLU A 52 -1.498 37.658 4.999 1.00 0.00 O ATOM 799 CB GLU A 52 0.929 38.838 6.616 1.00 0.00 C ATOM 800 CG GLU A 52 2.324 38.423 7.086 1.00 0.00 C ATOM 801 CD GLU A 52 2.385 38.477 8.615 1.00 0.00 C ATOM 802 OE1 GLU A 52 1.397 38.873 9.212 1.00 0.00 O ATOM 803 OE2 GLU A 52 3.416 38.122 9.160 1.00 0.00 O ATOM 0 H GLU A 52 1.463 40.385 4.545 1.00 0.00 H new ATOM 0 HA GLU A 52 1.103 37.442 4.986 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.794 39.912 6.747 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.168 38.345 7.221 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.552 37.416 6.738 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.076 39.086 6.658 1.00 0.00 H new ATOM 810 N GLU A 53 -1.120 39.659 4.174 1.00 0.00 N ATOM 811 CA GLU A 53 -2.546 39.817 3.778 1.00 0.00 C ATOM 812 C GLU A 53 -2.756 39.235 2.380 1.00 0.00 C ATOM 813 O GLU A 53 -2.039 39.551 1.451 1.00 0.00 O ATOM 814 CB GLU A 53 -2.914 41.303 3.773 1.00 0.00 C ATOM 815 CG GLU A 53 -4.412 41.456 3.501 1.00 0.00 C ATOM 816 CD GLU A 53 -4.759 42.940 3.374 1.00 0.00 C ATOM 817 OE1 GLU A 53 -4.659 43.638 4.369 1.00 0.00 O ATOM 818 OE2 GLU A 53 -5.119 43.353 2.284 1.00 0.00 O ATOM 0 H GLU A 53 -0.517 40.451 3.951 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.180 39.288 4.490 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.659 41.755 4.732 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.339 41.828 3.010 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.682 40.929 2.586 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.987 41.005 4.310 1.00 0.00 H new ATOM 825 N TRP A 54 -3.733 38.386 2.223 1.00 0.00 N ATOM 826 CA TRP A 54 -3.991 37.782 0.886 1.00 0.00 C ATOM 827 C TRP A 54 -4.911 38.697 0.078 1.00 0.00 C ATOM 828 O TRP A 54 -5.829 39.297 0.602 1.00 0.00 O ATOM 829 CB TRP A 54 -4.656 36.415 1.067 1.00 0.00 C ATOM 830 CG TRP A 54 -3.601 35.368 1.220 1.00 0.00 C ATOM 831 CD1 TRP A 54 -2.777 35.243 2.286 1.00 0.00 C ATOM 832 CD2 TRP A 54 -3.243 34.300 0.299 1.00 0.00 C ATOM 833 NE1 TRP A 54 -1.935 34.167 2.076 1.00 0.00 N ATOM 834 CE2 TRP A 54 -2.184 33.552 0.865 1.00 0.00 C ATOM 835 CE3 TRP A 54 -3.728 33.911 -0.962 1.00 0.00 C ATOM 836 CZ2 TRP A 54 -1.627 32.457 0.203 1.00 0.00 C ATOM 837 CZ3 TRP A 54 -3.170 32.811 -1.630 1.00 0.00 C ATOM 838 CH2 TRP A 54 -2.122 32.084 -1.049 1.00 0.00 C ATOM 0 H TRP A 54 -4.365 38.084 2.964 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.048 37.661 0.354 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.303 36.426 1.944 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.287 36.188 0.208 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.777 35.880 3.158 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.218 33.864 2.735 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.536 34.463 -1.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.819 31.902 0.656 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.551 32.522 -2.599 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.698 31.237 -1.568 1.00 0.00 H new ATOM 849 N GLU A 55 -4.667 38.810 -1.200 1.00 0.00 N ATOM 850 CA GLU A 55 -5.519 39.687 -2.052 1.00 0.00 C ATOM 851 C GLU A 55 -6.402 38.821 -2.953 1.00 0.00 C ATOM 852 O GLU A 55 -5.942 37.880 -3.567 1.00 0.00 O ATOM 853 CB GLU A 55 -4.624 40.576 -2.919 1.00 0.00 C ATOM 854 CG GLU A 55 -5.436 41.761 -3.443 1.00 0.00 C ATOM 855 CD GLU A 55 -4.485 42.853 -3.937 1.00 0.00 C ATOM 856 OE1 GLU A 55 -3.298 42.739 -3.678 1.00 0.00 O ATOM 857 OE2 GLU A 55 -4.959 43.786 -4.565 1.00 0.00 O ATOM 0 H GLU A 55 -3.912 38.331 -1.691 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.149 40.311 -1.418 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.774 40.933 -2.337 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.220 40.001 -3.752 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.089 41.438 -4.254 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.078 42.153 -2.654 1.00 0.00 H new ATOM 864 N PRO A 56 -7.698 39.154 -3.031 1.00 0.00 N ATOM 865 CA PRO A 56 -8.659 38.412 -3.856 1.00 0.00 C ATOM 866 C PRO A 56 -8.420 38.641 -5.352 1.00 0.00 C ATOM 867 O PRO A 56 -7.944 39.681 -5.761 1.00 0.00 O ATOM 868 CB PRO A 56 -10.009 39.002 -3.450 1.00 0.00 C ATOM 869 CG PRO A 56 -9.687 40.370 -2.951 1.00 0.00 C ATOM 870 CD PRO A 56 -8.327 40.279 -2.317 1.00 0.00 C ATOM 0 HA PRO A 56 -8.584 37.336 -3.702 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.695 39.040 -4.296 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.488 38.401 -2.677 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.688 41.092 -3.768 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.431 40.705 -2.229 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.762 41.202 -2.443 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.394 40.089 -1.246 1.00 0.00 H new ATOM 878 N LEU A 57 -8.753 37.682 -6.171 1.00 0.00 N ATOM 879 CA LEU A 57 -8.550 37.853 -7.638 1.00 0.00 C ATOM 880 C LEU A 57 -9.911 38.007 -8.317 1.00 0.00 C ATOM 881 O LEU A 57 -10.880 37.387 -7.926 1.00 0.00 O ATOM 882 CB LEU A 57 -7.838 36.622 -8.200 1.00 0.00 C ATOM 883 CG LEU A 57 -6.327 36.785 -8.030 1.00 0.00 C ATOM 884 CD1 LEU A 57 -5.930 36.393 -6.606 1.00 0.00 C ATOM 885 CD2 LEU A 57 -5.600 35.884 -9.030 1.00 0.00 C ATOM 0 H LEU A 57 -9.156 36.789 -5.889 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.943 38.739 -7.824 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.178 35.725 -7.683 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.085 36.496 -9.254 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.051 37.824 -8.211 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.853 36.509 -6.484 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -6.447 37.036 -5.894 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.206 35.354 -6.424 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.523 36.000 -8.909 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -5.875 34.845 -8.850 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.883 36.164 -10.045 1.00 0.00 H new ATOM 897 N THR A 58 -10.000 38.823 -9.331 1.00 0.00 N ATOM 898 CA THR A 58 -11.311 38.996 -10.016 1.00 0.00 C ATOM 899 C THR A 58 -11.397 38.018 -11.188 1.00 0.00 C ATOM 900 O THR A 58 -10.518 37.963 -12.027 1.00 0.00 O ATOM 901 CB THR A 58 -11.442 40.431 -10.533 1.00 0.00 C ATOM 902 OG1 THR A 58 -11.295 41.338 -9.450 1.00 0.00 O ATOM 903 CG2 THR A 58 -12.815 40.620 -11.178 1.00 0.00 C ATOM 0 H THR A 58 -9.230 39.372 -9.712 1.00 0.00 H new ATOM 0 HA THR A 58 -12.119 38.798 -9.311 1.00 0.00 H new ATOM 0 HB THR A 58 -10.667 40.622 -11.275 1.00 0.00 H new ATOM 0 HG1 THR A 58 -11.377 42.257 -9.780 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.907 41.642 -11.546 1.00 0.00 H new ATOM 0 HG22 THR A 58 -12.925 39.924 -12.010 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.593 40.429 -10.439 1.00 0.00 H new ATOM 911 N LYS A 59 -12.444 37.242 -11.255 1.00 0.00 N ATOM 912 CA LYS A 59 -12.573 36.271 -12.375 1.00 0.00 C ATOM 913 C LYS A 59 -12.844 37.035 -13.671 1.00 0.00 C ATOM 914 O LYS A 59 -13.904 37.597 -13.856 1.00 0.00 O ATOM 915 CB LYS A 59 -13.735 35.316 -12.092 1.00 0.00 C ATOM 916 CG LYS A 59 -13.600 34.074 -12.975 1.00 0.00 C ATOM 917 CD LYS A 59 -14.583 33.002 -12.503 1.00 0.00 C ATOM 918 CE LYS A 59 -14.302 31.691 -13.241 1.00 0.00 C ATOM 919 NZ LYS A 59 -15.592 31.034 -13.595 1.00 0.00 N ATOM 0 H LYS A 59 -13.213 37.239 -10.584 1.00 0.00 H new ATOM 0 HA LYS A 59 -11.651 35.698 -12.472 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -13.736 35.029 -11.040 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -14.685 35.813 -12.288 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -13.798 34.331 -14.015 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.580 33.692 -12.930 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -14.487 32.854 -11.427 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -15.607 33.325 -12.690 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.721 31.886 -14.143 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.704 31.029 -12.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -15.402 30.143 -14.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -16.130 30.835 -12.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -16.146 31.665 -14.208 1.00 0.00 H new ATOM 933 N LYS A 60 -11.900 37.070 -14.571 1.00 0.00 N ATOM 934 CA LYS A 60 -12.125 37.811 -15.843 1.00 0.00 C ATOM 935 C LYS A 60 -12.264 36.817 -16.998 1.00 0.00 C ATOM 936 O LYS A 60 -11.340 36.099 -17.327 1.00 0.00 O ATOM 937 CB LYS A 60 -10.941 38.743 -16.106 1.00 0.00 C ATOM 938 CG LYS A 60 -10.932 39.864 -15.065 1.00 0.00 C ATOM 939 CD LYS A 60 -10.410 41.151 -15.708 1.00 0.00 C ATOM 940 CE LYS A 60 -10.382 42.269 -14.664 1.00 0.00 C ATOM 941 NZ LYS A 60 -10.435 43.590 -15.351 1.00 0.00 N ATOM 0 H LYS A 60 -10.989 36.621 -14.481 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.039 38.400 -15.763 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.007 38.183 -16.061 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.012 39.164 -17.109 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -11.938 40.021 -14.675 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -10.302 39.585 -14.220 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.410 40.989 -16.110 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.048 41.436 -16.545 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.227 42.167 -13.983 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.477 42.196 -14.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.720 44.324 -14.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.496 43.820 -15.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.126 43.550 -16.127 1.00 0.00 H new ATOM 955 N GLY A 61 -13.413 36.767 -17.616 1.00 0.00 N ATOM 956 CA GLY A 61 -13.609 35.818 -18.748 1.00 0.00 C ATOM 957 C GLY A 61 -13.226 34.407 -18.299 1.00 0.00 C ATOM 958 O GLY A 61 -14.004 33.710 -17.678 1.00 0.00 O ATOM 0 H GLY A 61 -14.223 37.342 -17.386 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -14.648 35.837 -19.078 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -12.999 36.119 -19.599 1.00 0.00 H new ATOM 962 N ASN A 62 -12.031 33.980 -18.605 1.00 0.00 N ATOM 963 CA ASN A 62 -11.600 32.615 -18.193 1.00 0.00 C ATOM 964 C ASN A 62 -10.260 32.703 -17.460 1.00 0.00 C ATOM 965 O ASN A 62 -9.568 31.719 -17.289 1.00 0.00 O ATOM 966 CB ASN A 62 -11.446 31.732 -19.433 1.00 0.00 C ATOM 967 CG ASN A 62 -12.828 31.303 -19.929 1.00 0.00 C ATOM 968 OD1 ASN A 62 -13.822 31.535 -19.269 1.00 0.00 O ATOM 969 ND2 ASN A 62 -12.934 30.682 -21.071 1.00 0.00 N ATOM 0 H ASN A 62 -11.335 34.518 -19.122 1.00 0.00 H new ATOM 0 HA ASN A 62 -12.349 32.182 -17.530 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -10.919 32.276 -20.217 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -10.845 30.854 -19.195 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -13.851 30.391 -21.410 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -12.100 30.487 -21.625 1.00 0.00 H new ATOM 976 N VAL A 63 -9.889 33.875 -17.022 1.00 0.00 N ATOM 977 CA VAL A 63 -8.596 34.026 -16.298 1.00 0.00 C ATOM 978 C VAL A 63 -8.828 34.813 -15.006 1.00 0.00 C ATOM 979 O VAL A 63 -9.942 35.168 -14.676 1.00 0.00 O ATOM 980 CB VAL A 63 -7.601 34.781 -17.182 1.00 0.00 C ATOM 981 CG1 VAL A 63 -7.295 33.949 -18.430 1.00 0.00 C ATOM 982 CG2 VAL A 63 -8.205 36.124 -17.599 1.00 0.00 C ATOM 0 H VAL A 63 -10.426 34.735 -17.135 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.195 33.041 -16.059 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.680 34.955 -16.626 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.586 34.486 -19.060 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.864 32.993 -18.133 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.216 33.775 -18.986 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.496 36.662 -18.229 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.126 35.952 -18.155 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.423 36.716 -16.710 1.00 0.00 H new ATOM 992 N TRP A 64 -7.786 35.093 -14.272 1.00 0.00 N ATOM 993 CA TRP A 64 -7.953 35.861 -13.007 1.00 0.00 C ATOM 994 C TRP A 64 -6.986 37.047 -13.003 1.00 0.00 C ATOM 995 O TRP A 64 -5.808 36.902 -13.268 1.00 0.00 O ATOM 996 CB TRP A 64 -7.662 34.952 -11.811 1.00 0.00 C ATOM 997 CG TRP A 64 -8.744 33.927 -11.692 1.00 0.00 C ATOM 998 CD1 TRP A 64 -8.889 32.855 -12.505 1.00 0.00 C ATOM 999 CD2 TRP A 64 -9.832 33.856 -10.723 1.00 0.00 C ATOM 1000 NE1 TRP A 64 -9.996 32.132 -12.099 1.00 0.00 N ATOM 1001 CE2 TRP A 64 -10.610 32.708 -11.004 1.00 0.00 C ATOM 1002 CE3 TRP A 64 -10.215 34.667 -9.640 1.00 0.00 C ATOM 1003 CZ2 TRP A 64 -11.728 32.376 -10.239 1.00 0.00 C ATOM 1004 CZ3 TRP A 64 -11.340 34.336 -8.866 1.00 0.00 C ATOM 1005 CH2 TRP A 64 -12.095 33.193 -9.166 1.00 0.00 C ATOM 0 H TRP A 64 -6.828 34.823 -14.494 1.00 0.00 H new ATOM 0 HA TRP A 64 -8.977 36.228 -12.936 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.696 34.464 -11.938 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -7.603 35.543 -10.897 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -8.245 32.605 -13.335 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -10.319 31.278 -12.553 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -9.641 35.550 -9.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -12.306 31.494 -10.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -11.625 34.965 -8.036 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -12.959 32.944 -8.568 1.00 0.00 H new ATOM 1016 N GLU A 65 -7.477 38.221 -12.713 1.00 0.00 N ATOM 1017 CA GLU A 65 -6.591 39.419 -12.700 1.00 0.00 C ATOM 1018 C GLU A 65 -6.436 39.928 -11.267 1.00 0.00 C ATOM 1019 O GLU A 65 -7.392 40.022 -10.523 1.00 0.00 O ATOM 1020 CB GLU A 65 -7.208 40.517 -13.568 1.00 0.00 C ATOM 1021 CG GLU A 65 -6.286 41.738 -13.580 1.00 0.00 C ATOM 1022 CD GLU A 65 -6.719 42.692 -14.695 1.00 0.00 C ATOM 1023 OE1 GLU A 65 -7.726 42.415 -15.327 1.00 0.00 O ATOM 1024 OE2 GLU A 65 -6.036 43.682 -14.899 1.00 0.00 O ATOM 0 H GLU A 65 -8.454 38.402 -12.484 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.611 39.149 -13.095 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.357 40.151 -14.584 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -8.189 40.793 -13.181 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.325 42.246 -12.616 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.253 41.426 -13.734 1.00 0.00 H new ATOM 1031 N VAL A 66 -5.237 40.263 -10.879 1.00 0.00 N ATOM 1032 CA VAL A 66 -5.016 40.772 -9.497 1.00 0.00 C ATOM 1033 C VAL A 66 -4.195 42.061 -9.566 1.00 0.00 C ATOM 1034 O VAL A 66 -3.167 42.118 -10.210 1.00 0.00 O ATOM 1035 CB VAL A 66 -4.258 39.722 -8.681 1.00 0.00 C ATOM 1036 CG1 VAL A 66 -2.784 39.720 -9.090 1.00 0.00 C ATOM 1037 CG2 VAL A 66 -4.374 40.052 -7.191 1.00 0.00 C ATOM 0 H VAL A 66 -4.400 40.206 -11.460 1.00 0.00 H new ATOM 0 HA VAL A 66 -5.975 40.973 -9.019 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.687 38.738 -8.870 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.246 38.972 -8.508 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.701 39.483 -10.151 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.353 40.704 -8.903 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.834 39.304 -6.610 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.946 41.037 -7.002 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.424 40.050 -6.899 1.00 0.00 H new ATOM 1047 N LYS A 67 -4.639 43.101 -8.913 1.00 0.00 N ATOM 1048 CA LYS A 67 -3.877 44.379 -8.955 1.00 0.00 C ATOM 1049 C LYS A 67 -3.487 44.794 -7.534 1.00 0.00 C ATOM 1050 O LYS A 67 -4.290 44.770 -6.623 1.00 0.00 O ATOM 1051 CB LYS A 67 -4.738 45.472 -9.591 1.00 0.00 C ATOM 1052 CG LYS A 67 -5.056 45.090 -11.038 1.00 0.00 C ATOM 1053 CD LYS A 67 -5.774 46.251 -11.726 1.00 0.00 C ATOM 1054 CE LYS A 67 -7.219 46.323 -11.230 1.00 0.00 C ATOM 1055 NZ LYS A 67 -8.109 45.604 -12.185 1.00 0.00 N ATOM 0 H LYS A 67 -5.493 43.120 -8.355 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.975 44.239 -9.550 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.661 45.599 -9.025 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.213 46.427 -9.562 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.137 44.849 -11.572 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.681 44.197 -11.061 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.259 47.188 -11.514 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.756 46.114 -12.807 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.297 45.878 -10.238 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.532 47.363 -11.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -9.092 45.653 -11.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.042 46.048 -13.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.815 44.609 -12.251 1.00 0.00 H new ATOM 1069 N SER A 68 -2.253 45.171 -7.343 1.00 0.00 N ATOM 1070 CA SER A 68 -1.790 45.586 -5.991 1.00 0.00 C ATOM 1071 C SER A 68 -1.332 47.044 -6.039 1.00 0.00 C ATOM 1072 O SER A 68 -0.908 47.537 -7.066 1.00 0.00 O ATOM 1073 CB SER A 68 -0.615 44.704 -5.570 1.00 0.00 C ATOM 1074 OG SER A 68 -0.512 44.695 -4.153 1.00 0.00 O ATOM 0 H SER A 68 -1.541 45.209 -8.072 1.00 0.00 H new ATOM 0 HA SER A 68 -2.605 45.481 -5.275 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.757 43.689 -5.941 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.310 45.078 -6.010 1.00 0.00 H new ATOM 0 HG SER A 68 0.183 44.060 -3.880 1.00 0.00 H new ATOM 1080 N SER A 69 -1.404 47.738 -4.937 1.00 0.00 N ATOM 1081 CA SER A 69 -0.962 49.159 -4.928 1.00 0.00 C ATOM 1082 C SER A 69 0.566 49.209 -4.858 1.00 0.00 C ATOM 1083 O SER A 69 1.166 50.266 -4.882 1.00 0.00 O ATOM 1084 CB SER A 69 -1.556 49.873 -3.712 1.00 0.00 C ATOM 1085 OG SER A 69 -2.972 49.790 -3.759 1.00 0.00 O ATOM 0 H SER A 69 -1.749 47.383 -4.045 1.00 0.00 H new ATOM 0 HA SER A 69 -1.303 49.655 -5.837 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.185 49.419 -2.793 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.242 50.917 -3.701 1.00 0.00 H new ATOM 0 HG SER A 69 -3.352 50.246 -2.979 1.00 0.00 H new ATOM 1091 N LYS A 70 1.199 48.071 -4.772 1.00 0.00 N ATOM 1092 CA LYS A 70 2.688 48.042 -4.701 1.00 0.00 C ATOM 1093 C LYS A 70 3.223 47.071 -5.758 1.00 0.00 C ATOM 1094 O LYS A 70 2.465 46.426 -6.456 1.00 0.00 O ATOM 1095 CB LYS A 70 3.118 47.573 -3.309 1.00 0.00 C ATOM 1096 CG LYS A 70 3.709 48.752 -2.533 1.00 0.00 C ATOM 1097 CD LYS A 70 3.396 48.591 -1.044 1.00 0.00 C ATOM 1098 CE LYS A 70 2.810 49.897 -0.502 1.00 0.00 C ATOM 1099 NZ LYS A 70 2.381 49.698 0.912 1.00 0.00 N ATOM 0 H LYS A 70 0.748 47.157 -4.748 1.00 0.00 H new ATOM 0 HA LYS A 70 3.087 49.039 -4.887 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.263 47.162 -2.772 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.855 46.774 -3.394 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.787 48.798 -2.686 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.294 49.689 -2.903 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.690 47.774 -0.896 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.302 48.332 -0.497 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.552 50.693 -0.560 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.961 50.208 -1.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.983 50.585 1.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.660 48.950 0.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 3.201 49.420 1.488 1.00 0.00 H new ATOM 1113 N PRO A 71 4.555 46.966 -5.877 1.00 0.00 N ATOM 1114 CA PRO A 71 5.192 46.070 -6.851 1.00 0.00 C ATOM 1115 C PRO A 71 4.974 44.595 -6.497 1.00 0.00 C ATOM 1116 O PRO A 71 4.840 44.238 -5.343 1.00 0.00 O ATOM 1117 CB PRO A 71 6.676 46.423 -6.745 1.00 0.00 C ATOM 1118 CG PRO A 71 6.829 46.985 -5.372 1.00 0.00 C ATOM 1119 CD PRO A 71 5.546 47.706 -5.074 1.00 0.00 C ATOM 0 HA PRO A 71 4.782 46.196 -7.853 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.304 45.544 -6.886 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.967 47.148 -7.505 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.010 46.194 -4.645 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.679 47.665 -5.321 1.00 0.00 H new ATOM 0 HD2 PRO A 71 5.305 47.679 -4.011 1.00 0.00 H new ATOM 0 HD3 PRO A 71 5.597 48.756 -5.363 1.00 0.00 H new ATOM 1127 N LEU A 72 4.934 43.739 -7.481 1.00 0.00 N ATOM 1128 CA LEU A 72 4.719 42.290 -7.200 1.00 0.00 C ATOM 1129 C LEU A 72 6.058 41.622 -6.887 1.00 0.00 C ATOM 1130 O LEU A 72 7.057 41.870 -7.532 1.00 0.00 O ATOM 1131 CB LEU A 72 4.085 41.621 -8.420 1.00 0.00 C ATOM 1132 CG LEU A 72 2.836 42.399 -8.836 1.00 0.00 C ATOM 1133 CD1 LEU A 72 2.476 42.050 -10.282 1.00 0.00 C ATOM 1134 CD2 LEU A 72 1.672 42.027 -7.915 1.00 0.00 C ATOM 0 H LEU A 72 5.041 43.979 -8.467 1.00 0.00 H new ATOM 0 HA LEU A 72 4.055 42.184 -6.342 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.799 41.591 -9.243 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.823 40.589 -8.187 1.00 0.00 H new ATOM 0 HG LEU A 72 3.032 43.469 -8.759 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.586 42.604 -10.579 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.305 42.316 -10.938 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.281 40.981 -10.360 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.782 42.582 -8.212 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.475 40.958 -7.991 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.929 42.276 -6.885 1.00 0.00 H new ATOM 1146 N VAL A 73 6.081 40.776 -5.895 1.00 0.00 N ATOM 1147 CA VAL A 73 7.346 40.084 -5.524 1.00 0.00 C ATOM 1148 C VAL A 73 7.108 38.574 -5.483 1.00 0.00 C ATOM 1149 O VAL A 73 6.220 38.094 -4.807 1.00 0.00 O ATOM 1150 CB VAL A 73 7.798 40.562 -4.143 1.00 0.00 C ATOM 1151 CG1 VAL A 73 9.175 39.974 -3.825 1.00 0.00 C ATOM 1152 CG2 VAL A 73 7.881 42.090 -4.134 1.00 0.00 C ATOM 0 H VAL A 73 5.273 40.533 -5.322 1.00 0.00 H new ATOM 0 HA VAL A 73 8.115 40.312 -6.262 1.00 0.00 H new ATOM 0 HB VAL A 73 7.080 40.233 -3.392 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.498 40.314 -2.841 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.116 38.886 -3.831 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.893 40.303 -4.576 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.203 42.431 -3.150 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.599 42.420 -4.885 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.901 42.509 -4.360 1.00 0.00 H new ATOM 1162 N GLY A 74 7.894 37.820 -6.200 1.00 0.00 N ATOM 1163 CA GLY A 74 7.714 36.340 -6.200 1.00 0.00 C ATOM 1164 C GLY A 74 8.657 35.716 -5.167 1.00 0.00 C ATOM 1165 O GLY A 74 9.531 36.373 -4.638 1.00 0.00 O ATOM 0 H GLY A 74 8.654 38.164 -6.787 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.680 36.088 -5.965 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.923 35.937 -7.191 1.00 0.00 H new ATOM 1169 N PRO A 75 8.470 34.419 -4.876 1.00 0.00 N ATOM 1170 CA PRO A 75 7.421 33.604 -5.502 1.00 0.00 C ATOM 1171 C PRO A 75 6.019 34.043 -5.070 1.00 0.00 C ATOM 1172 O PRO A 75 5.806 34.497 -3.964 1.00 0.00 O ATOM 1173 CB PRO A 75 7.715 32.192 -4.998 1.00 0.00 C ATOM 1174 CG PRO A 75 8.454 32.398 -3.720 1.00 0.00 C ATOM 1175 CD PRO A 75 9.268 33.646 -3.909 1.00 0.00 C ATOM 0 HA PRO A 75 7.430 33.690 -6.589 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.796 31.628 -4.839 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.313 31.631 -5.716 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.764 32.505 -2.883 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.094 31.544 -3.498 1.00 0.00 H new ATOM 0 HD2 PRO A 75 9.401 34.187 -2.972 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.264 33.424 -4.293 1.00 0.00 H new ATOM 1183 N PHE A 76 5.067 33.920 -5.953 1.00 0.00 N ATOM 1184 CA PHE A 76 3.674 34.338 -5.628 1.00 0.00 C ATOM 1185 C PHE A 76 2.897 33.170 -5.017 1.00 0.00 C ATOM 1186 O PHE A 76 3.135 32.017 -5.329 1.00 0.00 O ATOM 1187 CB PHE A 76 2.980 34.786 -6.914 1.00 0.00 C ATOM 1188 CG PHE A 76 3.636 36.047 -7.422 1.00 0.00 C ATOM 1189 CD1 PHE A 76 3.366 37.273 -6.803 1.00 0.00 C ATOM 1190 CD2 PHE A 76 4.516 35.989 -8.509 1.00 0.00 C ATOM 1191 CE1 PHE A 76 3.977 38.442 -7.271 1.00 0.00 C ATOM 1192 CE2 PHE A 76 5.126 37.159 -8.978 1.00 0.00 C ATOM 1193 CZ PHE A 76 4.857 38.385 -8.359 1.00 0.00 C ATOM 0 H PHE A 76 5.195 33.545 -6.893 1.00 0.00 H new ATOM 0 HA PHE A 76 3.704 35.156 -4.908 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.043 34.001 -7.667 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.921 34.963 -6.726 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.687 37.317 -5.965 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.724 35.043 -8.986 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.770 39.388 -6.793 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.804 37.115 -9.817 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.328 39.287 -8.720 1.00 0.00 H new ATOM 1203 N ASN A 77 1.956 33.463 -4.160 1.00 0.00 N ATOM 1204 CA ASN A 77 1.145 32.379 -3.536 1.00 0.00 C ATOM 1205 C ASN A 77 -0.293 32.478 -4.053 1.00 0.00 C ATOM 1206 O ASN A 77 -0.817 33.557 -4.239 1.00 0.00 O ATOM 1207 CB ASN A 77 1.152 32.544 -2.015 1.00 0.00 C ATOM 1208 CG ASN A 77 2.542 32.984 -1.553 1.00 0.00 C ATOM 1209 OD1 ASN A 77 2.787 34.256 -1.391 1.00 0.00 O flip ATOM 1210 ND2 ASN A 77 3.412 32.165 -1.338 1.00 0.00 N flip ATOM 0 H ASN A 77 1.714 34.409 -3.865 1.00 0.00 H new ATOM 0 HA ASN A 77 1.567 31.407 -3.793 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.408 33.282 -1.716 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.879 31.604 -1.536 1.00 0.00 H new ATOM 0 HD21 ASN A 77 3.220 31.171 -1.465 1.00 0.00 H new ATOM 0 HD22 ASN A 77 4.335 32.471 -1.030 1.00 0.00 H new ATOM 1217 N PHE A 78 -0.941 31.369 -4.278 1.00 0.00 N ATOM 1218 CA PHE A 78 -2.346 31.421 -4.776 1.00 0.00 C ATOM 1219 C PHE A 78 -3.202 30.424 -3.988 1.00 0.00 C ATOM 1220 O PHE A 78 -2.810 29.293 -3.772 1.00 0.00 O ATOM 1221 CB PHE A 78 -2.380 31.057 -6.263 1.00 0.00 C ATOM 1222 CG PHE A 78 -1.691 32.133 -7.072 1.00 0.00 C ATOM 1223 CD1 PHE A 78 -2.416 33.246 -7.518 1.00 0.00 C ATOM 1224 CD2 PHE A 78 -0.331 32.016 -7.382 1.00 0.00 C ATOM 1225 CE1 PHE A 78 -1.780 34.241 -8.273 1.00 0.00 C ATOM 1226 CE2 PHE A 78 0.305 33.010 -8.139 1.00 0.00 C ATOM 1227 CZ PHE A 78 -0.419 34.123 -8.583 1.00 0.00 C ATOM 0 H PHE A 78 -0.562 30.432 -4.140 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.740 32.428 -4.642 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.887 30.098 -6.423 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.412 30.945 -6.595 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.465 33.337 -7.280 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.229 31.159 -7.038 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.339 35.099 -8.616 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.354 32.917 -8.380 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.071 34.890 -9.164 1.00 0.00 H new ATOM 1237 N ARG A 79 -4.371 30.824 -3.559 1.00 0.00 N ATOM 1238 CA ARG A 79 -5.242 29.887 -2.792 1.00 0.00 C ATOM 1239 C ARG A 79 -6.525 29.643 -3.586 1.00 0.00 C ATOM 1240 O ARG A 79 -7.025 30.519 -4.262 1.00 0.00 O ATOM 1241 CB ARG A 79 -5.582 30.491 -1.427 1.00 0.00 C ATOM 1242 CG ARG A 79 -6.737 29.710 -0.797 1.00 0.00 C ATOM 1243 CD ARG A 79 -7.139 30.369 0.524 1.00 0.00 C ATOM 1244 NE ARG A 79 -8.281 29.623 1.123 1.00 0.00 N ATOM 1245 CZ ARG A 79 -8.889 30.096 2.177 1.00 0.00 C ATOM 1246 NH1 ARG A 79 -8.445 29.808 3.371 1.00 0.00 N ATOM 1247 NH2 ARG A 79 -9.939 30.857 2.037 1.00 0.00 N ATOM 0 H ARG A 79 -4.758 31.756 -3.706 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.720 28.943 -2.637 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.709 30.459 -0.775 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.857 31.540 -1.540 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -7.588 29.687 -1.478 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -6.439 28.676 -0.624 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.294 30.375 1.212 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -7.419 31.409 0.354 1.00 0.00 H new ATOM 0 HE ARG A 79 -8.588 28.743 0.710 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -7.623 29.214 3.480 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -8.920 30.178 4.195 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -10.285 31.082 1.104 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -10.414 31.227 2.860 1.00 0.00 H new ATOM 1261 N PHE A 80 -7.048 28.447 -3.535 1.00 0.00 N ATOM 1262 CA PHE A 80 -8.278 28.143 -4.317 1.00 0.00 C ATOM 1263 C PHE A 80 -9.399 27.639 -3.411 1.00 0.00 C ATOM 1264 O PHE A 80 -9.181 26.860 -2.507 1.00 0.00 O ATOM 1265 CB PHE A 80 -7.964 27.044 -5.326 1.00 0.00 C ATOM 1266 CG PHE A 80 -7.299 27.635 -6.544 1.00 0.00 C ATOM 1267 CD1 PHE A 80 -6.143 28.412 -6.402 1.00 0.00 C ATOM 1268 CD2 PHE A 80 -7.834 27.403 -7.815 1.00 0.00 C ATOM 1269 CE1 PHE A 80 -5.523 28.957 -7.531 1.00 0.00 C ATOM 1270 CE2 PHE A 80 -7.215 27.947 -8.944 1.00 0.00 C ATOM 1271 CZ PHE A 80 -6.058 28.725 -8.802 1.00 0.00 C ATOM 0 H PHE A 80 -6.677 27.671 -2.987 1.00 0.00 H new ATOM 0 HA PHE A 80 -8.600 29.059 -4.811 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -7.312 26.298 -4.872 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -8.882 26.532 -5.615 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.730 28.591 -5.420 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -8.726 26.803 -7.924 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.632 29.557 -7.421 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -7.628 27.768 -9.926 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.580 29.145 -9.674 1.00 0.00 H new ATOM 1281 N MET A 81 -10.608 28.050 -3.675 1.00 0.00 N ATOM 1282 CA MET A 81 -11.754 27.563 -2.859 1.00 0.00 C ATOM 1283 C MET A 81 -12.770 26.921 -3.804 1.00 0.00 C ATOM 1284 O MET A 81 -13.212 27.524 -4.763 1.00 0.00 O ATOM 1285 CB MET A 81 -12.398 28.721 -2.094 1.00 0.00 C ATOM 1286 CG MET A 81 -13.774 28.291 -1.581 1.00 0.00 C ATOM 1287 SD MET A 81 -14.474 29.604 -0.552 1.00 0.00 S ATOM 1288 CE MET A 81 -14.495 28.683 1.005 1.00 0.00 C ATOM 0 H MET A 81 -10.852 28.702 -4.421 1.00 0.00 H new ATOM 0 HA MET A 81 -11.407 26.833 -2.127 1.00 0.00 H new ATOM 0 HB2 MET A 81 -11.763 29.017 -1.259 1.00 0.00 H new ATOM 0 HB3 MET A 81 -12.496 29.591 -2.744 1.00 0.00 H new ATOM 0 HG2 MET A 81 -14.437 28.080 -2.420 1.00 0.00 H new ATOM 0 HG3 MET A 81 -13.687 27.370 -1.004 1.00 0.00 H new ATOM 0 HE1 MET A 81 -15.516 28.629 1.382 1.00 0.00 H new ATOM 0 HE2 MET A 81 -14.116 27.675 0.837 1.00 0.00 H new ATOM 0 HE3 MET A 81 -13.865 29.190 1.736 1.00 0.00 H new ATOM 1298 N SER A 82 -13.113 25.686 -3.559 1.00 0.00 N ATOM 1299 CA SER A 82 -14.065 24.983 -4.459 1.00 0.00 C ATOM 1300 C SER A 82 -15.482 25.527 -4.269 1.00 0.00 C ATOM 1301 O SER A 82 -15.899 25.819 -3.164 1.00 0.00 O ATOM 1302 CB SER A 82 -14.057 23.492 -4.125 1.00 0.00 C ATOM 1303 OG SER A 82 -14.880 23.261 -2.992 1.00 0.00 O ATOM 0 H SER A 82 -12.773 25.134 -2.772 1.00 0.00 H new ATOM 0 HA SER A 82 -13.759 25.144 -5.493 1.00 0.00 H new ATOM 0 HB2 SER A 82 -14.419 22.915 -4.976 1.00 0.00 H new ATOM 0 HB3 SER A 82 -13.039 23.158 -3.924 1.00 0.00 H new ATOM 0 HG SER A 82 -15.770 22.975 -3.287 1.00 0.00 H new ATOM 1309 N LYS A 83 -16.233 25.640 -5.328 1.00 0.00 N ATOM 1310 CA LYS A 83 -17.631 26.141 -5.196 1.00 0.00 C ATOM 1311 C LYS A 83 -18.310 25.411 -4.032 1.00 0.00 C ATOM 1312 O LYS A 83 -18.989 26.008 -3.220 1.00 0.00 O ATOM 1313 CB LYS A 83 -18.400 25.868 -6.491 1.00 0.00 C ATOM 1314 CG LYS A 83 -17.846 26.753 -7.610 1.00 0.00 C ATOM 1315 CD LYS A 83 -18.725 26.615 -8.854 1.00 0.00 C ATOM 1316 CE LYS A 83 -18.339 27.688 -9.874 1.00 0.00 C ATOM 1317 NZ LYS A 83 -19.540 28.076 -10.667 1.00 0.00 N ATOM 0 H LYS A 83 -15.941 25.408 -6.277 1.00 0.00 H new ATOM 0 HA LYS A 83 -17.623 27.214 -5.006 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -18.309 24.817 -6.766 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -19.461 26.069 -6.346 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -17.818 27.793 -7.285 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.821 26.464 -7.842 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -18.603 25.623 -9.290 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -19.776 26.717 -8.583 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -17.930 28.560 -9.363 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -17.559 27.312 -10.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -19.277 28.805 -11.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -19.911 27.242 -11.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -20.271 28.452 -10.029 1.00 0.00 H new ATOM 1331 N GLY A 84 -18.130 24.119 -3.949 1.00 0.00 N ATOM 1332 CA GLY A 84 -18.761 23.334 -2.844 1.00 0.00 C ATOM 1333 C GLY A 84 -18.325 23.893 -1.483 1.00 0.00 C ATOM 1334 O GLY A 84 -18.813 23.479 -0.450 1.00 0.00 O ATOM 0 H GLY A 84 -17.571 23.570 -4.602 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -19.847 23.376 -2.932 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -18.475 22.285 -2.923 1.00 0.00 H new ATOM 1338 N GLY A 85 -17.425 24.836 -1.475 1.00 0.00 N ATOM 1339 CA GLY A 85 -16.976 25.425 -0.182 1.00 0.00 C ATOM 1340 C GLY A 85 -15.677 24.762 0.274 1.00 0.00 C ATOM 1341 O GLY A 85 -15.363 24.736 1.448 1.00 0.00 O ATOM 0 H GLY A 85 -16.981 25.224 -2.307 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.825 26.499 -0.295 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.748 25.290 0.576 1.00 0.00 H new ATOM 1345 N MET A 86 -14.911 24.235 -0.640 1.00 0.00 N ATOM 1346 CA MET A 86 -13.627 23.589 -0.243 1.00 0.00 C ATOM 1347 C MET A 86 -12.489 24.575 -0.501 1.00 0.00 C ATOM 1348 O MET A 86 -12.597 25.438 -1.344 1.00 0.00 O ATOM 1349 CB MET A 86 -13.414 22.320 -1.070 1.00 0.00 C ATOM 1350 CG MET A 86 -14.701 21.492 -1.069 1.00 0.00 C ATOM 1351 SD MET A 86 -14.479 20.026 -2.106 1.00 0.00 S ATOM 1352 CE MET A 86 -13.281 19.176 -1.051 1.00 0.00 C ATOM 0 H MET A 86 -15.116 24.223 -1.639 1.00 0.00 H new ATOM 0 HA MET A 86 -13.652 23.320 0.813 1.00 0.00 H new ATOM 0 HB2 MET A 86 -13.137 22.580 -2.091 1.00 0.00 H new ATOM 0 HB3 MET A 86 -12.592 21.736 -0.656 1.00 0.00 H new ATOM 0 HG2 MET A 86 -14.954 21.195 -0.051 1.00 0.00 H new ATOM 0 HG3 MET A 86 -15.532 22.091 -1.442 1.00 0.00 H new ATOM 0 HE1 MET A 86 -13.556 18.125 -0.962 1.00 0.00 H new ATOM 0 HE2 MET A 86 -12.287 19.255 -1.492 1.00 0.00 H new ATOM 0 HE3 MET A 86 -13.277 19.635 -0.062 1.00 0.00 H new ATOM 1362 N ARG A 87 -11.409 24.487 0.225 1.00 0.00 N ATOM 1363 CA ARG A 87 -10.305 25.461 -0.001 1.00 0.00 C ATOM 1364 C ARG A 87 -8.971 24.738 -0.202 1.00 0.00 C ATOM 1365 O ARG A 87 -8.675 23.755 0.448 1.00 0.00 O ATOM 1366 CB ARG A 87 -10.200 26.391 1.208 1.00 0.00 C ATOM 1367 CG ARG A 87 -11.551 27.066 1.449 1.00 0.00 C ATOM 1368 CD ARG A 87 -11.453 27.986 2.667 1.00 0.00 C ATOM 1369 NE ARG A 87 -10.826 27.246 3.798 1.00 0.00 N ATOM 1370 CZ ARG A 87 -9.881 27.808 4.500 1.00 0.00 C ATOM 1371 NH1 ARG A 87 -10.178 28.737 5.367 1.00 0.00 N ATOM 1372 NH2 ARG A 87 -8.640 27.441 4.335 1.00 0.00 N ATOM 0 H ARG A 87 -11.244 23.794 0.955 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.526 26.036 -0.901 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -9.901 25.826 2.091 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -9.431 27.144 1.036 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -11.845 27.639 0.570 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -12.322 26.313 1.610 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -10.861 28.868 2.423 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -12.445 28.336 2.953 1.00 0.00 H new ATOM 0 HE ARG A 87 -11.135 26.301 4.023 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -11.149 29.023 5.495 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.440 29.177 5.916 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.409 26.715 3.657 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.901 27.880 4.884 1.00 0.00 H new ATOM 1386 N ASN A 88 -8.156 25.245 -1.088 1.00 0.00 N ATOM 1387 CA ASN A 88 -6.822 24.631 -1.334 1.00 0.00 C ATOM 1388 C ASN A 88 -5.792 25.757 -1.416 1.00 0.00 C ATOM 1389 O ASN A 88 -6.058 26.810 -1.958 1.00 0.00 O ATOM 1390 CB ASN A 88 -6.845 23.846 -2.647 1.00 0.00 C ATOM 1391 CG ASN A 88 -7.761 22.629 -2.498 1.00 0.00 C ATOM 1392 OD1 ASN A 88 -8.662 22.431 -3.290 1.00 0.00 O ATOM 1393 ND2 ASN A 88 -7.566 21.799 -1.510 1.00 0.00 N ATOM 0 H ASN A 88 -8.361 26.067 -1.657 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.566 23.944 -0.527 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.198 24.483 -3.458 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -5.837 23.526 -2.909 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -8.170 20.984 -1.402 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -6.810 21.965 -0.846 1.00 0.00 H new ATOM 1400 N VAL A 89 -4.624 25.562 -0.870 1.00 0.00 N ATOM 1401 CA VAL A 89 -3.605 26.647 -0.913 1.00 0.00 C ATOM 1402 C VAL A 89 -2.326 26.150 -1.587 1.00 0.00 C ATOM 1403 O VAL A 89 -1.851 25.063 -1.325 1.00 0.00 O ATOM 1404 CB VAL A 89 -3.282 27.094 0.514 1.00 0.00 C ATOM 1405 CG1 VAL A 89 -2.441 28.372 0.472 1.00 0.00 C ATOM 1406 CG2 VAL A 89 -4.583 27.364 1.272 1.00 0.00 C ATOM 0 H VAL A 89 -4.333 24.705 -0.399 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.005 27.484 -1.485 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.723 26.308 1.022 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.211 28.690 1.489 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.513 28.179 -0.066 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.999 29.158 -0.037 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.352 27.682 2.289 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.144 28.149 0.764 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.181 26.453 1.304 1.00 0.00 H new ATOM 1416 N PHE A 90 -1.756 26.954 -2.444 1.00 0.00 N ATOM 1417 CA PHE A 90 -0.497 26.549 -3.126 1.00 0.00 C ATOM 1418 C PHE A 90 0.566 27.616 -2.864 1.00 0.00 C ATOM 1419 O PHE A 90 0.381 28.778 -3.170 1.00 0.00 O ATOM 1420 CB PHE A 90 -0.734 26.425 -4.632 1.00 0.00 C ATOM 1421 CG PHE A 90 -1.922 25.528 -4.888 1.00 0.00 C ATOM 1422 CD1 PHE A 90 -1.755 24.139 -4.929 1.00 0.00 C ATOM 1423 CD2 PHE A 90 -3.190 26.087 -5.088 1.00 0.00 C ATOM 1424 CE1 PHE A 90 -2.856 23.309 -5.171 1.00 0.00 C ATOM 1425 CE2 PHE A 90 -4.291 25.257 -5.328 1.00 0.00 C ATOM 1426 CZ PHE A 90 -4.125 23.869 -5.370 1.00 0.00 C ATOM 0 H PHE A 90 -2.110 27.875 -2.700 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.165 25.585 -2.741 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.910 27.410 -5.065 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.153 26.017 -5.117 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -0.777 23.708 -4.774 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -3.318 27.159 -5.057 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -2.727 22.237 -5.204 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.269 25.689 -5.481 1.00 0.00 H new ATOM 0 HZ PHE A 90 -4.975 23.229 -5.556 1.00 0.00 H new ATOM 1436 N ASP A 91 1.675 27.236 -2.293 1.00 0.00 N ATOM 1437 CA ASP A 91 2.739 28.235 -2.008 1.00 0.00 C ATOM 1438 C ASP A 91 3.817 28.164 -3.091 1.00 0.00 C ATOM 1439 O ASP A 91 4.105 27.115 -3.629 1.00 0.00 O ATOM 1440 CB ASP A 91 3.366 27.940 -0.644 1.00 0.00 C ATOM 1441 CG ASP A 91 3.750 26.460 -0.568 1.00 0.00 C ATOM 1442 OD1 ASP A 91 3.508 25.756 -1.534 1.00 0.00 O ATOM 1443 OD2 ASP A 91 4.280 26.058 0.454 1.00 0.00 O ATOM 0 H ASP A 91 1.889 26.279 -2.012 1.00 0.00 H new ATOM 0 HA ASP A 91 2.302 29.233 -1.999 1.00 0.00 H new ATOM 0 HB2 ASP A 91 4.247 28.564 -0.495 1.00 0.00 H new ATOM 0 HB3 ASP A 91 2.663 28.186 0.152 1.00 0.00 H new ATOM 1448 N GLU A 92 4.421 29.277 -3.401 1.00 0.00 N ATOM 1449 CA GLU A 92 5.490 29.287 -4.435 1.00 0.00 C ATOM 1450 C GLU A 92 4.978 28.663 -5.736 1.00 0.00 C ATOM 1451 O GLU A 92 5.610 27.790 -6.297 1.00 0.00 O ATOM 1452 CB GLU A 92 6.690 28.486 -3.929 1.00 0.00 C ATOM 1453 CG GLU A 92 7.244 29.142 -2.663 1.00 0.00 C ATOM 1454 CD GLU A 92 8.113 28.136 -1.906 1.00 0.00 C ATOM 1455 OE1 GLU A 92 8.191 27.000 -2.347 1.00 0.00 O ATOM 1456 OE2 GLU A 92 8.687 28.518 -0.900 1.00 0.00 O ATOM 0 H GLU A 92 4.218 30.184 -2.980 1.00 0.00 H new ATOM 0 HA GLU A 92 5.785 30.318 -4.629 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.392 27.459 -3.719 1.00 0.00 H new ATOM 0 HB3 GLU A 92 7.462 28.443 -4.697 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.831 30.022 -2.924 1.00 0.00 H new ATOM 0 HG3 GLU A 92 6.425 29.482 -2.028 1.00 0.00 H new ATOM 1463 N VAL A 93 3.853 29.101 -6.234 1.00 0.00 N ATOM 1464 CA VAL A 93 3.337 28.523 -7.507 1.00 0.00 C ATOM 1465 C VAL A 93 4.042 29.203 -8.683 1.00 0.00 C ATOM 1466 O VAL A 93 4.320 28.589 -9.693 1.00 0.00 O ATOM 1467 CB VAL A 93 1.828 28.762 -7.606 1.00 0.00 C ATOM 1468 CG1 VAL A 93 1.356 28.453 -9.029 1.00 0.00 C ATOM 1469 CG2 VAL A 93 1.101 27.849 -6.618 1.00 0.00 C ATOM 0 H VAL A 93 3.273 29.829 -5.817 1.00 0.00 H new ATOM 0 HA VAL A 93 3.531 27.451 -7.530 1.00 0.00 H new ATOM 0 HB VAL A 93 1.608 29.803 -7.368 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.282 28.623 -9.101 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.874 29.104 -9.734 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.576 27.412 -9.267 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.027 28.019 -6.688 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.320 26.808 -6.856 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.437 28.068 -5.605 1.00 0.00 H new ATOM 1479 N ILE A 94 4.340 30.466 -8.550 1.00 0.00 N ATOM 1480 CA ILE A 94 5.037 31.190 -9.649 1.00 0.00 C ATOM 1481 C ILE A 94 6.153 32.048 -9.050 1.00 0.00 C ATOM 1482 O ILE A 94 5.923 32.850 -8.167 1.00 0.00 O ATOM 1483 CB ILE A 94 4.041 32.086 -10.388 1.00 0.00 C ATOM 1484 CG1 ILE A 94 2.798 31.271 -10.755 1.00 0.00 C ATOM 1485 CG2 ILE A 94 4.693 32.626 -11.663 1.00 0.00 C ATOM 1486 CD1 ILE A 94 1.880 32.106 -11.650 1.00 0.00 C ATOM 0 H ILE A 94 4.130 31.029 -7.726 1.00 0.00 H new ATOM 0 HA ILE A 94 5.460 30.472 -10.352 1.00 0.00 H new ATOM 0 HB ILE A 94 3.753 32.919 -9.746 1.00 0.00 H new ATOM 0 HG12 ILE A 94 3.090 30.356 -11.270 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.267 30.972 -9.851 1.00 0.00 H new ATOM 0 HG21 ILE A 94 3.985 33.265 -12.191 1.00 0.00 H new ATOM 0 HG22 ILE A 94 5.579 33.205 -11.402 1.00 0.00 H new ATOM 0 HG23 ILE A 94 4.980 31.794 -12.306 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.996 31.523 -11.909 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.577 33.008 -11.119 1.00 0.00 H new ATOM 0 HD13 ILE A 94 2.412 32.382 -12.560 1.00 0.00 H new ATOM 1498 N PRO A 95 7.390 31.865 -9.534 1.00 0.00 N ATOM 1499 CA PRO A 95 8.551 32.613 -9.038 1.00 0.00 C ATOM 1500 C PRO A 95 8.491 34.092 -9.432 1.00 0.00 C ATOM 1501 O PRO A 95 7.770 34.480 -10.330 1.00 0.00 O ATOM 1502 CB PRO A 95 9.736 31.932 -9.722 1.00 0.00 C ATOM 1503 CG PRO A 95 9.157 31.322 -10.954 1.00 0.00 C ATOM 1504 CD PRO A 95 7.753 30.916 -10.601 1.00 0.00 C ATOM 0 HA PRO A 95 8.608 32.602 -7.950 1.00 0.00 H new ATOM 0 HB2 PRO A 95 10.520 32.649 -9.965 1.00 0.00 H new ATOM 0 HB3 PRO A 95 10.185 31.176 -9.078 1.00 0.00 H new ATOM 0 HG2 PRO A 95 9.160 32.034 -11.779 1.00 0.00 H new ATOM 0 HG3 PRO A 95 9.743 30.460 -11.274 1.00 0.00 H new ATOM 0 HD2 PRO A 95 7.083 30.996 -11.457 1.00 0.00 H new ATOM 0 HD3 PRO A 95 7.707 29.883 -10.255 1.00 0.00 H new ATOM 1512 N THR A 96 9.244 34.919 -8.760 1.00 0.00 N ATOM 1513 CA THR A 96 9.235 36.374 -9.081 1.00 0.00 C ATOM 1514 C THR A 96 9.429 36.572 -10.585 1.00 0.00 C ATOM 1515 O THR A 96 8.738 37.351 -11.211 1.00 0.00 O ATOM 1516 CB THR A 96 10.370 37.069 -8.326 1.00 0.00 C ATOM 1517 OG1 THR A 96 10.283 36.746 -6.945 1.00 0.00 O ATOM 1518 CG2 THR A 96 10.255 38.583 -8.507 1.00 0.00 C ATOM 0 H THR A 96 9.867 34.648 -7.999 1.00 0.00 H new ATOM 0 HA THR A 96 8.279 36.803 -8.781 1.00 0.00 H new ATOM 0 HB THR A 96 11.329 36.732 -8.719 1.00 0.00 H new ATOM 0 HG1 THR A 96 11.010 37.189 -6.459 1.00 0.00 H new ATOM 0 HG21 THR A 96 11.064 39.076 -7.969 1.00 0.00 H new ATOM 0 HG22 THR A 96 10.322 38.829 -9.567 1.00 0.00 H new ATOM 0 HG23 THR A 96 9.297 38.925 -8.115 1.00 0.00 H new ATOM 1526 N ALA A 97 10.367 35.880 -11.174 1.00 0.00 N ATOM 1527 CA ALA A 97 10.595 36.044 -12.636 1.00 0.00 C ATOM 1528 C ALA A 97 9.729 35.044 -13.403 1.00 0.00 C ATOM 1529 O ALA A 97 10.052 33.878 -13.504 1.00 0.00 O ATOM 1530 CB ALA A 97 12.070 35.795 -12.955 1.00 0.00 C ATOM 0 H ALA A 97 10.981 35.212 -10.708 1.00 0.00 H new ATOM 0 HA ALA A 97 10.327 37.058 -12.933 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.236 35.915 -14.026 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.686 36.510 -12.410 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.341 34.782 -12.657 1.00 0.00 H new ATOM 1536 N PHE A 98 8.630 35.491 -13.944 1.00 0.00 N ATOM 1537 CA PHE A 98 7.745 34.565 -14.705 1.00 0.00 C ATOM 1538 C PHE A 98 7.843 34.881 -16.197 1.00 0.00 C ATOM 1539 O PHE A 98 8.153 35.989 -16.587 1.00 0.00 O ATOM 1540 CB PHE A 98 6.298 34.745 -14.241 1.00 0.00 C ATOM 1541 CG PHE A 98 5.824 36.132 -14.600 1.00 0.00 C ATOM 1542 CD1 PHE A 98 5.305 36.387 -15.875 1.00 0.00 C ATOM 1543 CD2 PHE A 98 5.905 37.166 -13.658 1.00 0.00 C ATOM 1544 CE1 PHE A 98 4.866 37.674 -16.207 1.00 0.00 C ATOM 1545 CE2 PHE A 98 5.467 38.452 -13.991 1.00 0.00 C ATOM 1546 CZ PHE A 98 4.946 38.707 -15.266 1.00 0.00 C ATOM 0 H PHE A 98 8.306 36.457 -13.892 1.00 0.00 H new ATOM 0 HA PHE A 98 8.058 33.536 -14.528 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.659 33.998 -14.711 1.00 0.00 H new ATOM 0 HB3 PHE A 98 6.228 34.593 -13.164 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.243 35.591 -16.602 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.306 36.970 -12.674 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.465 37.870 -17.190 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.531 39.249 -13.265 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.606 39.700 -15.523 1.00 0.00 H new ATOM 1556 N SER A 99 7.584 33.916 -17.035 1.00 0.00 N ATOM 1557 CA SER A 99 7.665 34.165 -18.501 1.00 0.00 C ATOM 1558 C SER A 99 6.259 34.131 -19.100 1.00 0.00 C ATOM 1559 O SER A 99 5.304 33.762 -18.446 1.00 0.00 O ATOM 1560 CB SER A 99 8.526 33.085 -19.155 1.00 0.00 C ATOM 1561 OG SER A 99 9.870 33.219 -18.716 1.00 0.00 O ATOM 0 H SER A 99 7.320 32.967 -16.769 1.00 0.00 H new ATOM 0 HA SER A 99 8.113 35.142 -18.681 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.145 32.097 -18.898 1.00 0.00 H new ATOM 0 HB3 SER A 99 8.476 33.173 -20.240 1.00 0.00 H new ATOM 0 HG SER A 99 10.421 32.525 -19.134 1.00 0.00 H new ATOM 1567 N ILE A 100 6.125 34.509 -20.339 1.00 0.00 N ATOM 1568 CA ILE A 100 4.780 34.492 -20.975 1.00 0.00 C ATOM 1569 C ILE A 100 4.690 33.306 -21.936 1.00 0.00 C ATOM 1570 O ILE A 100 5.606 33.033 -22.686 1.00 0.00 O ATOM 1571 CB ILE A 100 4.558 35.796 -21.745 1.00 0.00 C ATOM 1572 CG1 ILE A 100 4.664 36.981 -20.782 1.00 0.00 C ATOM 1573 CG2 ILE A 100 3.169 35.781 -22.384 1.00 0.00 C ATOM 1574 CD1 ILE A 100 3.438 37.005 -19.867 1.00 0.00 C ATOM 0 H ILE A 100 6.887 34.828 -20.938 1.00 0.00 H new ATOM 0 HA ILE A 100 4.014 34.396 -20.205 1.00 0.00 H new ATOM 0 HB ILE A 100 5.315 35.891 -22.524 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.574 36.900 -20.187 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.732 37.914 -21.342 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.011 36.710 -22.932 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.093 34.937 -23.070 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.412 35.686 -21.606 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.513 37.849 -19.181 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.536 37.107 -20.470 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.391 36.077 -19.297 1.00 0.00 H new ATOM 1586 N GLY A 101 3.593 32.600 -21.923 1.00 0.00 N ATOM 1587 CA GLY A 101 3.449 31.435 -22.838 1.00 0.00 C ATOM 1588 C GLY A 101 3.831 30.149 -22.101 1.00 0.00 C ATOM 1589 O GLY A 101 3.893 29.086 -22.686 1.00 0.00 O ATOM 0 H GLY A 101 2.791 32.780 -21.319 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.422 31.368 -23.198 1.00 0.00 H new ATOM 0 HA3 GLY A 101 4.086 31.567 -23.713 1.00 0.00 H new ATOM 1593 N LYS A 102 4.084 30.231 -20.822 1.00 0.00 N ATOM 1594 CA LYS A 102 4.455 29.001 -20.064 1.00 0.00 C ATOM 1595 C LYS A 102 3.419 28.754 -18.967 1.00 0.00 C ATOM 1596 O LYS A 102 2.904 29.678 -18.370 1.00 0.00 O ATOM 1597 CB LYS A 102 5.839 29.181 -19.438 1.00 0.00 C ATOM 1598 CG LYS A 102 6.387 27.817 -19.013 1.00 0.00 C ATOM 1599 CD LYS A 102 7.633 28.014 -18.148 1.00 0.00 C ATOM 1600 CE LYS A 102 8.362 26.678 -17.992 1.00 0.00 C ATOM 1601 NZ LYS A 102 9.790 26.929 -17.651 1.00 0.00 N ATOM 0 H LYS A 102 4.050 31.090 -20.273 1.00 0.00 H new ATOM 0 HA LYS A 102 4.479 28.147 -20.741 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.515 29.650 -20.153 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.776 29.845 -18.576 1.00 0.00 H new ATOM 0 HG2 LYS A 102 5.629 27.266 -18.457 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.632 27.222 -19.893 1.00 0.00 H new ATOM 0 HD2 LYS A 102 8.294 28.750 -18.606 1.00 0.00 H new ATOM 0 HD3 LYS A 102 7.352 28.403 -17.170 1.00 0.00 H new ATOM 0 HE2 LYS A 102 7.890 26.083 -17.211 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.293 26.104 -18.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 10.286 26.021 -17.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 10.237 27.481 -18.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 9.846 27.460 -16.759 1.00 0.00 H new ATOM 1615 N THR A 103 3.098 27.516 -18.699 1.00 0.00 N ATOM 1616 CA THR A 103 2.085 27.231 -17.644 1.00 0.00 C ATOM 1617 C THR A 103 2.755 27.305 -16.272 1.00 0.00 C ATOM 1618 O THR A 103 3.957 27.457 -16.173 1.00 0.00 O ATOM 1619 CB THR A 103 1.513 25.827 -17.858 1.00 0.00 C ATOM 1620 OG1 THR A 103 1.147 25.670 -19.221 1.00 0.00 O ATOM 1621 CG2 THR A 103 0.282 25.635 -16.970 1.00 0.00 C ATOM 0 H THR A 103 3.491 26.696 -19.162 1.00 0.00 H new ATOM 0 HA THR A 103 1.280 27.964 -17.698 1.00 0.00 H new ATOM 0 HB THR A 103 2.265 25.083 -17.596 1.00 0.00 H new ATOM 0 HG1 THR A 103 0.782 24.771 -19.360 1.00 0.00 H new ATOM 0 HG21 THR A 103 -0.125 24.635 -17.123 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.565 25.755 -15.924 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.473 26.377 -17.229 1.00 0.00 H new ATOM 1629 N TYR A 104 2.008 27.187 -15.210 1.00 0.00 N ATOM 1630 CA TYR A 104 2.629 27.237 -13.858 1.00 0.00 C ATOM 1631 C TYR A 104 1.668 26.602 -12.851 1.00 0.00 C ATOM 1632 O TYR A 104 0.695 27.202 -12.445 1.00 0.00 O ATOM 1633 CB TYR A 104 2.902 28.691 -13.471 1.00 0.00 C ATOM 1634 CG TYR A 104 4.180 29.146 -14.134 1.00 0.00 C ATOM 1635 CD1 TYR A 104 5.410 28.643 -13.695 1.00 0.00 C ATOM 1636 CD2 TYR A 104 4.134 30.064 -15.187 1.00 0.00 C ATOM 1637 CE1 TYR A 104 6.596 29.060 -14.310 1.00 0.00 C ATOM 1638 CE2 TYR A 104 5.320 30.482 -15.804 1.00 0.00 C ATOM 1639 CZ TYR A 104 6.551 29.980 -15.365 1.00 0.00 C ATOM 1640 OH TYR A 104 7.720 30.390 -15.972 1.00 0.00 O ATOM 0 H TYR A 104 0.996 27.058 -15.220 1.00 0.00 H new ATOM 0 HA TYR A 104 3.572 26.691 -13.861 1.00 0.00 H new ATOM 0 HB2 TYR A 104 2.071 29.325 -13.781 1.00 0.00 H new ATOM 0 HB3 TYR A 104 2.987 28.783 -12.388 1.00 0.00 H new ATOM 0 HD1 TYR A 104 5.444 27.933 -12.882 1.00 0.00 H new ATOM 0 HD2 TYR A 104 3.184 30.451 -15.525 1.00 0.00 H new ATOM 0 HE1 TYR A 104 7.545 28.673 -13.971 1.00 0.00 H new ATOM 0 HE2 TYR A 104 5.285 31.191 -16.618 1.00 0.00 H new ATOM 0 HH TYR A 104 7.510 30.830 -16.822 1.00 0.00 H new ATOM 1650 N LYS A 105 1.926 25.386 -12.455 1.00 0.00 N ATOM 1651 CA LYS A 105 1.016 24.709 -11.486 1.00 0.00 C ATOM 1652 C LYS A 105 1.751 24.470 -10.166 1.00 0.00 C ATOM 1653 O LYS A 105 2.959 24.583 -10.089 1.00 0.00 O ATOM 1654 CB LYS A 105 0.556 23.369 -12.069 1.00 0.00 C ATOM 1655 CG LYS A 105 1.740 22.653 -12.720 1.00 0.00 C ATOM 1656 CD LYS A 105 1.226 21.484 -13.562 1.00 0.00 C ATOM 1657 CE LYS A 105 0.763 22.003 -14.925 1.00 0.00 C ATOM 1658 NZ LYS A 105 1.817 21.732 -15.943 1.00 0.00 N ATOM 0 H LYS A 105 2.726 24.832 -12.760 1.00 0.00 H new ATOM 0 HA LYS A 105 0.148 25.343 -11.302 1.00 0.00 H new ATOM 0 HB2 LYS A 105 0.131 22.746 -11.282 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -0.231 23.533 -12.805 1.00 0.00 H new ATOM 0 HG2 LYS A 105 2.300 23.348 -13.346 1.00 0.00 H new ATOM 0 HG3 LYS A 105 2.426 22.290 -11.954 1.00 0.00 H new ATOM 0 HD2 LYS A 105 2.013 20.741 -13.692 1.00 0.00 H new ATOM 0 HD3 LYS A 105 0.401 20.988 -13.050 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -0.170 21.518 -15.213 1.00 0.00 H new ATOM 0 HE3 LYS A 105 0.562 23.073 -14.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 1.503 22.084 -16.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 2.697 22.214 -15.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 1.988 20.708 -16.002 1.00 0.00 H new ATOM 1672 N PRO A 106 1.000 24.131 -9.106 1.00 0.00 N ATOM 1673 CA PRO A 106 1.575 23.873 -7.779 1.00 0.00 C ATOM 1674 C PRO A 106 2.386 22.574 -7.753 1.00 0.00 C ATOM 1675 O PRO A 106 2.663 21.982 -8.778 1.00 0.00 O ATOM 1676 CB PRO A 106 0.348 23.740 -6.877 1.00 0.00 C ATOM 1677 CG PRO A 106 -0.750 23.319 -7.793 1.00 0.00 C ATOM 1678 CD PRO A 106 -0.467 23.972 -9.116 1.00 0.00 C ATOM 0 HA PRO A 106 2.264 24.660 -7.472 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.512 23.003 -6.091 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.114 24.684 -6.385 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -0.779 22.234 -7.893 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -1.720 23.629 -7.406 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -0.799 23.353 -9.950 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -0.976 24.932 -9.208 1.00 0.00 H new ATOM 1686 N GLU A 107 2.771 22.128 -6.589 1.00 0.00 N ATOM 1687 CA GLU A 107 3.564 20.869 -6.498 1.00 0.00 C ATOM 1688 C GLU A 107 2.846 19.879 -5.579 1.00 0.00 C ATOM 1689 O GLU A 107 2.093 20.261 -4.706 1.00 0.00 O ATOM 1690 CB GLU A 107 4.949 21.181 -5.928 1.00 0.00 C ATOM 1691 CG GLU A 107 5.832 21.770 -7.030 1.00 0.00 C ATOM 1692 CD GLU A 107 7.265 21.912 -6.513 1.00 0.00 C ATOM 1693 OE1 GLU A 107 7.508 21.520 -5.383 1.00 0.00 O ATOM 1694 OE2 GLU A 107 8.096 22.409 -7.255 1.00 0.00 O ATOM 0 H GLU A 107 2.571 22.581 -5.697 1.00 0.00 H new ATOM 0 HA GLU A 107 3.669 20.432 -7.491 1.00 0.00 H new ATOM 0 HB2 GLU A 107 4.863 21.885 -5.100 1.00 0.00 H new ATOM 0 HB3 GLU A 107 5.403 20.274 -5.529 1.00 0.00 H new ATOM 0 HG2 GLU A 107 5.813 21.126 -7.909 1.00 0.00 H new ATOM 0 HG3 GLU A 107 5.447 22.742 -7.339 1.00 0.00 H new ATOM 1701 N GLU A 108 3.072 18.608 -5.769 1.00 0.00 N ATOM 1702 CA GLU A 108 2.403 17.595 -4.906 1.00 0.00 C ATOM 1703 C GLU A 108 3.445 16.913 -4.016 1.00 0.00 C ATOM 1704 O GLU A 108 3.998 15.914 -4.445 1.00 0.00 O ATOM 1705 CB GLU A 108 1.720 16.547 -5.787 1.00 0.00 C ATOM 1706 CG GLU A 108 0.705 17.234 -6.704 1.00 0.00 C ATOM 1707 CD GLU A 108 -0.113 16.175 -7.443 1.00 0.00 C ATOM 1708 OE1 GLU A 108 0.208 15.006 -7.309 1.00 0.00 O ATOM 1709 OE2 GLU A 108 -1.047 16.550 -8.133 1.00 0.00 O ATOM 1710 OXT GLU A 108 3.671 17.402 -2.922 1.00 0.00 O ATOM 0 H GLU A 108 3.691 18.228 -6.485 1.00 0.00 H new ATOM 0 HA GLU A 108 1.658 18.086 -4.280 1.00 0.00 H new ATOM 0 HB2 GLU A 108 2.463 16.017 -6.382 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.220 15.804 -5.166 1.00 0.00 H new ATOM 0 HG2 GLU A 108 0.046 17.875 -6.119 1.00 0.00 H new ATOM 0 HG3 GLU A 108 1.221 17.875 -7.419 1.00 0.00 H new TER 1717 GLU A 108