USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 598 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 12 GLN : amide:sc= -0.0438 X(o=-0.24,f=-0.24) USER MOD Set 1.2: A 44 SER OG : rot 180:sc= -0.194 USER MOD Set 2.1: A 41 THR OG1 : rot 132:sc= -0.155 USER MOD Set 2.2: A 50 LYS NZ :NH3+ 170:sc= 1.27 (180deg=0) USER MOD Single : A 1 MET CE :methyl -133:sc= 0 (180deg=-1.05) USER MOD Single : A 2 LYS NZ :NH3+ -112:sc= 0.257 (180deg=-0.51) USER MOD Single : A 3 MET CE :methyl -145:sc= -0.193 (180deg=-0.883) USER MOD Single : A 6 LYS NZ :NH3+ -111:sc= -1.78 (180deg=-4.44!) USER MOD Single : A -1 HIS : no HD1:sc= -1.48 K(o=-1.5,f=-3.5) USER MOD Single : A -2 SER OG : rot 63:sc= 0.112 USER MOD Single : A -3 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -9.86! C(o=-9.9!,f=-19!) USER MOD Single : A 26 SER OG : rot -6:sc= 0.415 USER MOD Single : A 31 MET CE :methyl -164:sc= -1.91 (180deg=-2.45) USER MOD Single : A 36 ASN : amide:sc= -16.4! C(o=-16!,f=-17!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 180:sc= -1.15 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -1.77 K(o=-1.8,f=-2.5!) USER MOD Single : A 59 THR OG1 : rot -22:sc= 0.788 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 71:sc= 1.22 USER MOD Single : A 77 ASN : amide:sc= -2.13! K(o=-2.1!,f=-1.3) USER MOD Single : A 78 LYS NZ :NH3+ -120:sc= -1.64 (180deg=-5.06!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 -22.292 -6.161 4.833 1.00 0.00 N ATOM 2 CA GLY A -3 -22.113 -4.684 4.875 1.00 0.00 C ATOM 3 C GLY A -3 -22.105 -4.062 3.492 1.00 0.00 C ATOM 4 O GLY A -3 -21.444 -4.564 2.582 1.00 0.00 O ATOM 0 H1 GLY A -3 -22.291 -6.539 5.802 1.00 0.00 H new ATOM 0 H2 GLY A -3 -23.197 -6.388 4.374 1.00 0.00 H new ATOM 0 H3 GLY A -3 -21.513 -6.590 4.293 1.00 0.00 H new ATOM 0 HA2 GLY A -3 -22.915 -4.240 5.465 1.00 0.00 H new ATOM 0 HA3 GLY A -3 -21.177 -4.449 5.381 1.00 0.00 H new ATOM 10 N SER A -2 -22.840 -2.966 3.334 1.00 0.00 N ATOM 11 CA SER A -2 -22.919 -2.270 2.052 1.00 0.00 C ATOM 12 C SER A -2 -21.682 -1.403 1.811 1.00 0.00 C ATOM 13 O SER A -2 -21.797 -0.215 1.511 1.00 0.00 O ATOM 14 CB SER A -2 -24.181 -1.406 1.998 1.00 0.00 C ATOM 15 OG SER A -2 -24.182 -0.438 3.033 1.00 0.00 O ATOM 0 H SER A -2 -23.391 -2.539 4.079 1.00 0.00 H new ATOM 0 HA SER A -2 -22.963 -3.023 1.265 1.00 0.00 H new ATOM 0 HB2 SER A -2 -24.243 -0.908 1.030 1.00 0.00 H new ATOM 0 HB3 SER A -2 -25.063 -2.040 2.088 1.00 0.00 H new ATOM 0 HG SER A -2 -23.422 0.169 2.913 1.00 0.00 H new ATOM 21 N HIS A -1 -20.501 -2.001 1.945 1.00 0.00 N ATOM 22 CA HIS A -1 -19.252 -1.274 1.742 1.00 0.00 C ATOM 23 C HIS A -1 -19.212 -0.636 0.355 1.00 0.00 C ATOM 24 O HIS A -1 -18.901 0.546 0.214 1.00 0.00 O ATOM 25 CB HIS A -1 -18.051 -2.207 1.928 1.00 0.00 C ATOM 26 CG HIS A -1 -17.970 -3.313 0.918 1.00 0.00 C ATOM 27 ND1 HIS A -1 -18.943 -4.281 0.771 1.00 0.00 N ATOM 28 CD2 HIS A -1 -17.016 -3.602 0.000 1.00 0.00 C ATOM 29 CE1 HIS A -1 -18.591 -5.114 -0.191 1.00 0.00 C ATOM 30 NE2 HIS A -1 -17.427 -4.724 -0.675 1.00 0.00 N ATOM 0 H HIS A -1 -20.383 -2.984 2.192 1.00 0.00 H new ATOM 0 HA HIS A -1 -19.199 -0.481 2.487 1.00 0.00 H new ATOM 0 HB2 HIS A -1 -17.136 -1.617 1.879 1.00 0.00 H new ATOM 0 HB3 HIS A -1 -18.095 -2.644 2.926 1.00 0.00 H new ATOM 0 HD2 HIS A -1 -16.102 -3.052 -0.169 1.00 0.00 H new ATOM 0 HE1 HIS A -1 -19.159 -5.969 -0.525 1.00 0.00 H new ATOM 0 HE2 HIS A -1 -16.915 -5.182 -1.429 1.00 0.00 H new ATOM 39 N MET A 1 -19.538 -1.425 -0.666 1.00 0.00 N ATOM 40 CA MET A 1 -19.549 -0.936 -2.042 1.00 0.00 C ATOM 41 C MET A 1 -18.229 -0.261 -2.406 1.00 0.00 C ATOM 42 O MET A 1 -18.213 0.838 -2.960 1.00 0.00 O ATOM 43 CB MET A 1 -20.708 0.042 -2.244 1.00 0.00 C ATOM 44 CG MET A 1 -22.076 -0.575 -1.997 1.00 0.00 C ATOM 45 SD MET A 1 -23.423 0.594 -2.255 1.00 0.00 S ATOM 46 CE MET A 1 -24.841 -0.440 -1.899 1.00 0.00 C ATOM 0 H MET A 1 -19.798 -2.406 -0.566 1.00 0.00 H new ATOM 0 HA MET A 1 -19.681 -1.795 -2.700 1.00 0.00 H new ATOM 0 HB2 MET A 1 -20.576 0.892 -1.575 1.00 0.00 H new ATOM 0 HB3 MET A 1 -20.672 0.430 -3.262 1.00 0.00 H new ATOM 0 HG2 MET A 1 -22.210 -1.429 -2.660 1.00 0.00 H new ATOM 0 HG3 MET A 1 -22.120 -0.954 -0.976 1.00 0.00 H new ATOM 0 HE1 MET A 1 -25.591 -0.310 -2.679 1.00 0.00 H new ATOM 0 HE2 MET A 1 -24.530 -1.484 -1.865 1.00 0.00 H new ATOM 0 HE3 MET A 1 -25.266 -0.156 -0.936 1.00 0.00 H new ATOM 56 N LYS A 2 -17.121 -0.926 -2.094 1.00 0.00 N ATOM 57 CA LYS A 2 -15.795 -0.391 -2.391 1.00 0.00 C ATOM 58 C LYS A 2 -15.350 -0.756 -3.807 1.00 0.00 C ATOM 59 O LYS A 2 -14.171 -1.019 -4.046 1.00 0.00 O ATOM 60 CB LYS A 2 -14.775 -0.918 -1.382 1.00 0.00 C ATOM 61 CG LYS A 2 -15.054 -0.488 0.050 1.00 0.00 C ATOM 62 CD LYS A 2 -15.033 1.025 0.198 1.00 0.00 C ATOM 63 CE LYS A 2 -13.666 1.604 -0.138 1.00 0.00 C ATOM 64 NZ LYS A 2 -13.629 3.081 0.049 1.00 0.00 N ATOM 0 H LYS A 2 -17.114 -1.837 -1.635 1.00 0.00 H new ATOM 0 HA LYS A 2 -15.853 0.695 -2.319 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.760 -2.007 -1.429 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.782 -0.573 -1.669 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -16.026 -0.871 0.362 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -14.310 -0.929 0.714 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -15.786 1.465 -0.456 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -15.301 1.295 1.219 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.909 1.139 0.494 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.413 1.362 -1.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -13.530 3.546 -0.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.511 3.396 0.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -12.820 3.334 0.652 1.00 0.00 H new ATOM 78 N MET A 3 -16.294 -0.772 -4.741 1.00 0.00 N ATOM 79 CA MET A 3 -15.987 -1.106 -6.127 1.00 0.00 C ATOM 80 C MET A 3 -15.326 0.067 -6.837 1.00 0.00 C ATOM 81 O MET A 3 -15.847 1.182 -6.838 1.00 0.00 O ATOM 82 CB MET A 3 -17.257 -1.521 -6.872 1.00 0.00 C ATOM 83 CG MET A 3 -18.315 -0.431 -6.924 1.00 0.00 C ATOM 84 SD MET A 3 -19.794 -0.942 -7.821 1.00 0.00 S ATOM 85 CE MET A 3 -19.102 -1.308 -9.432 1.00 0.00 C ATOM 0 H MET A 3 -17.276 -0.558 -4.565 1.00 0.00 H new ATOM 0 HA MET A 3 -15.290 -1.944 -6.123 1.00 0.00 H new ATOM 0 HB2 MET A 3 -16.994 -1.809 -7.890 1.00 0.00 H new ATOM 0 HB3 MET A 3 -17.679 -2.403 -6.390 1.00 0.00 H new ATOM 0 HG2 MET A 3 -18.590 -0.148 -5.908 1.00 0.00 H new ATOM 0 HG3 MET A 3 -17.895 0.456 -7.399 1.00 0.00 H new ATOM 0 HE1 MET A 3 -19.818 -1.034 -10.206 1.00 0.00 H new ATOM 0 HE2 MET A 3 -18.183 -0.739 -9.571 1.00 0.00 H new ATOM 0 HE3 MET A 3 -18.883 -2.374 -9.500 1.00 0.00 H new ATOM 95 N GLY A 4 -14.176 -0.197 -7.444 1.00 0.00 N ATOM 96 CA GLY A 4 -13.456 0.839 -8.155 1.00 0.00 C ATOM 97 C GLY A 4 -11.986 0.514 -8.306 1.00 0.00 C ATOM 98 O GLY A 4 -11.618 -0.632 -8.571 1.00 0.00 O ATOM 0 H GLY A 4 -13.729 -1.114 -7.456 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.899 0.975 -9.141 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.564 1.784 -7.623 1.00 0.00 H new ATOM 102 N VAL A 5 -11.143 1.521 -8.128 1.00 0.00 N ATOM 103 CA VAL A 5 -9.701 1.339 -8.237 1.00 0.00 C ATOM 104 C VAL A 5 -9.138 0.674 -6.993 1.00 0.00 C ATOM 105 O VAL A 5 -7.963 0.370 -6.946 1.00 0.00 O ATOM 106 CB VAL A 5 -8.946 2.663 -8.479 1.00 0.00 C ATOM 107 CG1 VAL A 5 -8.711 3.402 -7.173 1.00 0.00 C ATOM 108 CG2 VAL A 5 -7.624 2.447 -9.195 1.00 0.00 C ATOM 0 H VAL A 5 -11.432 2.474 -7.907 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.549 0.697 -9.105 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.580 3.271 -9.124 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -8.177 4.331 -7.372 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -9.669 3.627 -6.705 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -8.118 2.779 -6.504 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -7.129 3.407 -9.343 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -6.986 1.799 -8.594 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -7.806 1.980 -10.163 1.00 0.00 H new ATOM 118 N LYS A 6 -9.956 0.468 -5.965 1.00 0.00 N ATOM 119 CA LYS A 6 -9.448 -0.140 -4.740 1.00 0.00 C ATOM 120 C LYS A 6 -8.578 -1.331 -5.110 1.00 0.00 C ATOM 121 O LYS A 6 -7.455 -1.469 -4.628 1.00 0.00 O ATOM 122 CB LYS A 6 -10.613 -0.569 -3.838 1.00 0.00 C ATOM 123 CG LYS A 6 -10.192 -1.137 -2.487 1.00 0.00 C ATOM 124 CD LYS A 6 -9.637 -2.549 -2.601 1.00 0.00 C ATOM 125 CE LYS A 6 -9.418 -3.168 -1.231 1.00 0.00 C ATOM 126 NZ LYS A 6 -8.874 -4.551 -1.326 1.00 0.00 N ATOM 0 H LYS A 6 -10.948 0.706 -5.953 1.00 0.00 H new ATOM 0 HA LYS A 6 -8.849 0.583 -4.186 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.261 0.291 -3.670 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.206 -1.317 -4.364 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.438 -0.488 -2.042 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -11.049 -1.139 -1.813 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -10.326 -3.168 -3.176 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -8.694 -2.529 -3.148 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -8.730 -2.546 -0.658 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.362 -3.186 -0.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.596 -5.230 -1.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.612 -4.754 -2.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.033 -4.636 -0.720 1.00 0.00 H new ATOM 140 N GLU A 7 -9.080 -2.156 -6.015 1.00 0.00 N ATOM 141 CA GLU A 7 -8.327 -3.300 -6.500 1.00 0.00 C ATOM 142 C GLU A 7 -7.266 -2.863 -7.519 1.00 0.00 C ATOM 143 O GLU A 7 -6.203 -3.471 -7.611 1.00 0.00 O ATOM 144 CB GLU A 7 -9.265 -4.334 -7.125 1.00 0.00 C ATOM 145 CG GLU A 7 -8.549 -5.564 -7.658 1.00 0.00 C ATOM 146 CD GLU A 7 -9.500 -6.570 -8.276 1.00 0.00 C ATOM 147 OE1 GLU A 7 -10.196 -6.209 -9.249 1.00 0.00 O ATOM 148 OE2 GLU A 7 -9.548 -7.719 -7.787 1.00 0.00 O ATOM 0 H GLU A 7 -10.007 -2.054 -6.429 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.820 -3.756 -5.649 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.997 -4.645 -6.380 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.818 -3.865 -7.939 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.815 -5.258 -8.403 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.999 -6.040 -6.846 1.00 0.00 H new ATOM 155 N ASP A 8 -7.578 -1.823 -8.301 1.00 0.00 N ATOM 156 CA ASP A 8 -6.656 -1.329 -9.331 1.00 0.00 C ATOM 157 C ASP A 8 -5.355 -0.770 -8.739 1.00 0.00 C ATOM 158 O ASP A 8 -4.259 -1.192 -9.120 1.00 0.00 O ATOM 159 CB ASP A 8 -7.350 -0.291 -10.200 1.00 0.00 C ATOM 160 CG ASP A 8 -8.223 -0.921 -11.266 1.00 0.00 C ATOM 161 OD1 ASP A 8 -7.687 -1.677 -12.102 1.00 0.00 O ATOM 162 OD2 ASP A 8 -9.444 -0.659 -11.263 1.00 0.00 O ATOM 0 H ASP A 8 -8.457 -1.309 -8.241 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.372 -2.180 -9.950 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.960 0.357 -9.570 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.600 0.341 -10.675 1.00 0.00 H new ATOM 167 N ILE A 9 -5.475 0.144 -7.784 1.00 0.00 N ATOM 168 CA ILE A 9 -4.316 0.718 -7.120 1.00 0.00 C ATOM 169 C ILE A 9 -3.627 -0.365 -6.308 1.00 0.00 C ATOM 170 O ILE A 9 -2.413 -0.534 -6.386 1.00 0.00 O ATOM 171 CB ILE A 9 -4.709 1.906 -6.208 1.00 0.00 C ATOM 172 CG1 ILE A 9 -5.025 3.140 -7.052 1.00 0.00 C ATOM 173 CG2 ILE A 9 -3.604 2.218 -5.204 1.00 0.00 C ATOM 174 CD1 ILE A 9 -5.448 4.342 -6.235 1.00 0.00 C ATOM 0 H ILE A 9 -6.370 0.504 -7.452 1.00 0.00 H new ATOM 0 HA ILE A 9 -3.636 1.106 -7.879 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.601 1.623 -5.649 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.146 3.402 -7.640 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.818 2.894 -7.758 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -3.908 3.056 -4.577 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -3.423 1.344 -4.578 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -2.690 2.477 -5.738 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.656 5.180 -6.901 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.346 4.098 -5.667 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.647 4.615 -5.548 1.00 0.00 H new ATOM 186 N ARG A 10 -4.423 -1.124 -5.556 1.00 0.00 N ATOM 187 CA ARG A 10 -3.893 -2.224 -4.763 1.00 0.00 C ATOM 188 C ARG A 10 -3.115 -3.156 -5.676 1.00 0.00 C ATOM 189 O ARG A 10 -2.147 -3.791 -5.261 1.00 0.00 O ATOM 190 CB ARG A 10 -5.026 -3.000 -4.085 1.00 0.00 C ATOM 191 CG ARG A 10 -4.565 -3.875 -2.932 1.00 0.00 C ATOM 192 CD ARG A 10 -5.666 -4.815 -2.468 1.00 0.00 C ATOM 193 NE ARG A 10 -6.107 -5.708 -3.538 1.00 0.00 N ATOM 194 CZ ARG A 10 -7.019 -6.664 -3.378 1.00 0.00 C ATOM 195 NH1 ARG A 10 -7.578 -6.867 -2.192 1.00 0.00 N ATOM 196 NH2 ARG A 10 -7.371 -7.422 -4.407 1.00 0.00 N ATOM 0 H ARG A 10 -5.432 -0.996 -5.482 1.00 0.00 H new ATOM 0 HA ARG A 10 -3.241 -1.822 -3.988 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -5.769 -2.292 -3.717 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.521 -3.625 -4.828 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -3.696 -4.456 -3.240 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.249 -3.245 -2.100 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.307 -5.407 -1.626 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.514 -4.232 -2.109 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.691 -5.592 -4.462 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.309 -6.289 -1.396 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -8.276 -7.601 -2.076 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -6.943 -7.272 -5.321 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -8.070 -8.155 -4.285 1.00 0.00 H new ATOM 210 N GLY A 11 -3.538 -3.206 -6.937 1.00 0.00 N ATOM 211 CA GLY A 11 -2.855 -4.036 -7.905 1.00 0.00 C ATOM 212 C GLY A 11 -1.459 -3.518 -8.128 1.00 0.00 C ATOM 213 O GLY A 11 -0.493 -4.279 -8.178 1.00 0.00 O ATOM 0 H GLY A 11 -4.338 -2.688 -7.301 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.818 -5.067 -7.552 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.405 -4.041 -8.846 1.00 0.00 H new ATOM 217 N GLN A 12 -1.364 -2.199 -8.226 1.00 0.00 N ATOM 218 CA GLN A 12 -0.091 -1.530 -8.406 1.00 0.00 C ATOM 219 C GLN A 12 0.747 -1.654 -7.138 1.00 0.00 C ATOM 220 O GLN A 12 1.974 -1.686 -7.194 1.00 0.00 O ATOM 221 CB GLN A 12 -0.313 -0.054 -8.736 1.00 0.00 C ATOM 222 CG GLN A 12 -1.142 0.178 -9.987 1.00 0.00 C ATOM 223 CD GLN A 12 -1.318 1.650 -10.304 1.00 0.00 C ATOM 224 OE1 GLN A 12 -0.344 2.370 -10.525 1.00 0.00 O ATOM 225 NE2 GLN A 12 -2.565 2.105 -10.329 1.00 0.00 N ATOM 0 H GLN A 12 -2.165 -1.569 -8.183 1.00 0.00 H new ATOM 0 HA GLN A 12 0.439 -2.002 -9.233 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.806 0.427 -7.891 1.00 0.00 H new ATOM 0 HB3 GLN A 12 0.656 0.431 -8.859 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.664 -0.317 -10.832 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.122 -0.282 -9.860 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -3.343 1.473 -10.140 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.745 3.087 -10.538 1.00 0.00 H new ATOM 234 N ILE A 13 0.065 -1.718 -5.992 1.00 0.00 N ATOM 235 CA ILE A 13 0.731 -1.831 -4.698 1.00 0.00 C ATOM 236 C ILE A 13 1.341 -3.214 -4.516 1.00 0.00 C ATOM 237 O ILE A 13 2.482 -3.342 -4.081 1.00 0.00 O ATOM 238 CB ILE A 13 -0.243 -1.543 -3.535 1.00 0.00 C ATOM 239 CG1 ILE A 13 -0.799 -0.121 -3.646 1.00 0.00 C ATOM 240 CG2 ILE A 13 0.449 -1.735 -2.192 1.00 0.00 C ATOM 241 CD1 ILE A 13 -1.771 0.236 -2.544 1.00 0.00 C ATOM 0 H ILE A 13 -0.953 -1.693 -5.937 1.00 0.00 H new ATOM 0 HA ILE A 13 1.526 -1.085 -4.682 1.00 0.00 H new ATOM 0 HB ILE A 13 -1.071 -2.249 -3.599 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.030 0.587 -3.631 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.297 -0.009 -4.609 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.255 -1.527 -1.387 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.802 -2.763 -2.108 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.296 -1.053 -2.118 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.124 1.257 -2.687 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -2.619 -0.448 -2.571 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.272 0.156 -1.578 1.00 0.00 H new ATOM 253 N ILE A 14 0.579 -4.248 -4.856 1.00 0.00 N ATOM 254 CA ILE A 14 1.061 -5.617 -4.736 1.00 0.00 C ATOM 255 C ILE A 14 2.328 -5.806 -5.566 1.00 0.00 C ATOM 256 O ILE A 14 3.352 -6.259 -5.053 1.00 0.00 O ATOM 257 CB ILE A 14 -0.023 -6.629 -5.164 1.00 0.00 C ATOM 258 CG1 ILE A 14 -1.071 -6.779 -4.058 1.00 0.00 C ATOM 259 CG2 ILE A 14 0.586 -7.984 -5.506 1.00 0.00 C ATOM 260 CD1 ILE A 14 -0.496 -7.255 -2.742 1.00 0.00 C ATOM 0 H ILE A 14 -0.372 -4.164 -5.216 1.00 0.00 H new ATOM 0 HA ILE A 14 1.297 -5.803 -3.688 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.507 -6.245 -6.062 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -1.565 -5.820 -3.904 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -1.836 -7.482 -4.387 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.204 -8.673 -5.803 1.00 0.00 H new ATOM 0 HG22 ILE A 14 1.294 -7.868 -6.327 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.104 -8.381 -4.633 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.295 -7.339 -2.005 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.027 -8.229 -2.881 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.249 -6.541 -2.391 1.00 0.00 H new ATOM 272 N GLY A 15 2.263 -5.427 -6.837 1.00 0.00 N ATOM 273 CA GLY A 15 3.428 -5.536 -7.694 1.00 0.00 C ATOM 274 C GLY A 15 4.525 -4.607 -7.222 1.00 0.00 C ATOM 275 O GLY A 15 5.709 -4.942 -7.267 1.00 0.00 O ATOM 0 H GLY A 15 1.430 -5.048 -7.287 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.790 -6.564 -7.695 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.155 -5.293 -8.721 1.00 0.00 H new ATOM 279 N ALA A 16 4.110 -3.435 -6.754 1.00 0.00 N ATOM 280 CA ALA A 16 5.026 -2.426 -6.244 1.00 0.00 C ATOM 281 C ALA A 16 5.799 -2.951 -5.036 1.00 0.00 C ATOM 282 O ALA A 16 6.922 -2.530 -4.770 1.00 0.00 O ATOM 283 CB ALA A 16 4.248 -1.171 -5.864 1.00 0.00 C ATOM 0 H ALA A 16 3.129 -3.159 -6.718 1.00 0.00 H new ATOM 0 HA ALA A 16 5.745 -2.183 -7.027 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.937 -0.417 -5.482 1.00 0.00 H new ATOM 0 HB2 ALA A 16 3.734 -0.781 -6.743 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.516 -1.416 -5.095 1.00 0.00 H new ATOM 289 N LEU A 17 5.176 -3.871 -4.310 1.00 0.00 N ATOM 290 CA LEU A 17 5.769 -4.465 -3.126 1.00 0.00 C ATOM 291 C LEU A 17 6.688 -5.616 -3.500 1.00 0.00 C ATOM 292 O LEU A 17 7.662 -5.902 -2.804 1.00 0.00 O ATOM 293 CB LEU A 17 4.660 -4.956 -2.195 1.00 0.00 C ATOM 294 CG LEU A 17 3.887 -3.851 -1.468 1.00 0.00 C ATOM 295 CD1 LEU A 17 2.565 -4.379 -0.928 1.00 0.00 C ATOM 296 CD2 LEU A 17 4.728 -3.270 -0.337 1.00 0.00 C ATOM 0 H LEU A 17 4.244 -4.224 -4.529 1.00 0.00 H new ATOM 0 HA LEU A 17 6.366 -3.710 -2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 17 3.955 -5.550 -2.777 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.099 -5.621 -1.451 1.00 0.00 H new ATOM 0 HG LEU A 17 3.670 -3.059 -2.185 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.034 -3.576 -0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.956 -4.748 -1.753 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.757 -5.192 -0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.165 -2.486 0.170 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.974 -4.058 0.375 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.647 -2.850 -0.746 1.00 0.00 H new ATOM 308 N ALA A 18 6.369 -6.272 -4.607 1.00 0.00 N ATOM 309 CA ALA A 18 7.166 -7.397 -5.080 1.00 0.00 C ATOM 310 C ALA A 18 8.610 -6.973 -5.325 1.00 0.00 C ATOM 311 O ALA A 18 8.871 -6.016 -6.053 1.00 0.00 O ATOM 312 CB ALA A 18 6.561 -7.976 -6.349 1.00 0.00 C ATOM 0 H ALA A 18 5.566 -6.046 -5.194 1.00 0.00 H new ATOM 0 HA ALA A 18 7.163 -8.167 -4.308 1.00 0.00 H new ATOM 0 HB1 ALA A 18 7.167 -8.815 -6.691 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.547 -8.320 -6.145 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.535 -7.209 -7.123 1.00 0.00 H new ATOM 318 N GLY A 19 9.547 -7.689 -4.709 1.00 0.00 N ATOM 319 CA GLY A 19 10.952 -7.365 -4.876 1.00 0.00 C ATOM 320 C GLY A 19 11.660 -7.129 -3.555 1.00 0.00 C ATOM 321 O GLY A 19 12.836 -7.460 -3.405 1.00 0.00 O ATOM 0 H GLY A 19 9.359 -8.485 -4.099 1.00 0.00 H new ATOM 0 HA2 GLY A 19 11.447 -8.177 -5.409 1.00 0.00 H new ATOM 0 HA3 GLY A 19 11.044 -6.474 -5.497 1.00 0.00 H new ATOM 325 N ALA A 20 10.944 -6.545 -2.596 1.00 0.00 N ATOM 326 CA ALA A 20 11.512 -6.254 -1.280 1.00 0.00 C ATOM 327 C ALA A 20 12.144 -7.489 -0.658 1.00 0.00 C ATOM 328 O ALA A 20 12.190 -8.553 -1.273 1.00 0.00 O ATOM 329 CB ALA A 20 10.430 -5.714 -0.356 1.00 0.00 C ATOM 0 H ALA A 20 9.970 -6.264 -2.705 1.00 0.00 H new ATOM 0 HA ALA A 20 12.292 -5.505 -1.413 1.00 0.00 H new ATOM 0 HB1 ALA A 20 10.861 -5.500 0.622 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.015 -4.799 -0.778 1.00 0.00 H new ATOM 0 HB3 ALA A 20 9.639 -6.456 -0.249 1.00 0.00 H new ATOM 335 N ASP A 21 12.595 -7.341 0.584 1.00 0.00 N ATOM 336 CA ASP A 21 13.185 -8.450 1.323 1.00 0.00 C ATOM 337 C ASP A 21 12.123 -9.539 1.478 1.00 0.00 C ATOM 338 O ASP A 21 11.588 -10.011 0.476 1.00 0.00 O ATOM 339 CB ASP A 21 13.704 -7.950 2.674 1.00 0.00 C ATOM 340 CG ASP A 21 15.141 -7.475 2.600 1.00 0.00 C ATOM 341 OD1 ASP A 21 15.434 -6.599 1.759 1.00 0.00 O ATOM 342 OD2 ASP A 21 15.974 -7.975 3.381 1.00 0.00 O ATOM 0 H ASP A 21 12.563 -6.462 1.100 1.00 0.00 H new ATOM 0 HA ASP A 21 14.037 -8.870 0.789 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.072 -7.134 3.024 1.00 0.00 H new ATOM 0 HB3 ASP A 21 13.626 -8.751 3.409 1.00 0.00 H new ATOM 347 N PHE A 22 11.755 -9.908 2.705 1.00 0.00 N ATOM 348 CA PHE A 22 10.695 -10.889 2.870 1.00 0.00 C ATOM 349 C PHE A 22 9.459 -10.306 2.206 1.00 0.00 C ATOM 350 O PHE A 22 9.515 -9.188 1.696 1.00 0.00 O ATOM 351 CB PHE A 22 10.449 -11.208 4.362 1.00 0.00 C ATOM 352 CG PHE A 22 9.679 -10.156 5.133 1.00 0.00 C ATOM 353 CD1 PHE A 22 8.420 -9.728 4.722 1.00 0.00 C ATOM 354 CD2 PHE A 22 10.219 -9.603 6.281 1.00 0.00 C ATOM 355 CE1 PHE A 22 7.727 -8.771 5.429 1.00 0.00 C ATOM 356 CE2 PHE A 22 9.527 -8.647 6.996 1.00 0.00 C ATOM 357 CZ PHE A 22 8.284 -8.228 6.566 1.00 0.00 C ATOM 0 H PHE A 22 12.162 -9.554 3.570 1.00 0.00 H new ATOM 0 HA PHE A 22 10.966 -11.838 2.408 1.00 0.00 H new ATOM 0 HB2 PHE A 22 9.908 -12.152 4.430 1.00 0.00 H new ATOM 0 HB3 PHE A 22 11.413 -11.357 4.848 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.979 -10.154 3.833 1.00 0.00 H new ATOM 0 HD2 PHE A 22 11.193 -9.923 6.621 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.752 -8.448 5.094 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.958 -8.226 7.892 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.747 -7.473 7.122 1.00 0.00 H new ATOM 367 N PRO A 23 8.326 -11.006 2.191 1.00 0.00 N ATOM 368 CA PRO A 23 7.129 -10.458 1.575 1.00 0.00 C ATOM 369 C PRO A 23 6.615 -9.215 2.313 1.00 0.00 C ATOM 370 O PRO A 23 5.530 -9.254 2.890 1.00 0.00 O ATOM 371 CB PRO A 23 6.122 -11.606 1.654 1.00 0.00 C ATOM 372 CG PRO A 23 6.594 -12.444 2.787 1.00 0.00 C ATOM 373 CD PRO A 23 8.094 -12.345 2.767 1.00 0.00 C ATOM 0 HA PRO A 23 7.310 -10.119 0.555 1.00 0.00 H new ATOM 0 HB2 PRO A 23 5.112 -11.236 1.829 1.00 0.00 H new ATOM 0 HB3 PRO A 23 6.096 -12.175 0.725 1.00 0.00 H new ATOM 0 HG2 PRO A 23 6.190 -12.086 3.734 1.00 0.00 H new ATOM 0 HG3 PRO A 23 6.268 -13.478 2.672 1.00 0.00 H new ATOM 0 HD2 PRO A 23 8.519 -12.434 3.767 1.00 0.00 H new ATOM 0 HD3 PRO A 23 8.543 -13.130 2.159 1.00 0.00 H new ATOM 381 N ILE A 24 7.398 -8.108 2.260 1.00 0.00 N ATOM 382 CA ILE A 24 7.026 -6.813 2.878 1.00 0.00 C ATOM 383 C ILE A 24 7.808 -6.438 4.150 1.00 0.00 C ATOM 384 O ILE A 24 7.218 -6.260 5.216 1.00 0.00 O ATOM 385 CB ILE A 24 5.518 -6.744 3.168 1.00 0.00 C ATOM 386 CG1 ILE A 24 4.751 -6.950 1.868 1.00 0.00 C ATOM 387 CG2 ILE A 24 5.149 -5.414 3.803 1.00 0.00 C ATOM 388 CD1 ILE A 24 5.181 -5.994 0.790 1.00 0.00 C ATOM 0 H ILE A 24 8.302 -8.089 1.789 1.00 0.00 H new ATOM 0 HA ILE A 24 7.306 -6.076 2.125 1.00 0.00 H new ATOM 0 HB ILE A 24 5.252 -7.531 3.874 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.897 -7.973 1.522 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.684 -6.826 2.055 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.077 -5.389 3.999 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.692 -5.295 4.741 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.413 -4.602 3.126 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.604 -6.183 -0.115 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.010 -4.970 1.122 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.241 -6.135 0.580 1.00 0.00 H new ATOM 400 N ASN A 25 9.121 -6.277 4.024 1.00 0.00 N ATOM 401 CA ASN A 25 9.973 -5.882 5.158 1.00 0.00 C ATOM 402 C ASN A 25 9.626 -4.496 5.682 1.00 0.00 C ATOM 403 O ASN A 25 10.436 -3.574 5.583 1.00 0.00 O ATOM 404 CB ASN A 25 11.431 -5.884 4.739 1.00 0.00 C ATOM 405 CG ASN A 25 12.097 -7.215 4.994 1.00 0.00 C ATOM 406 OD1 ASN A 25 11.671 -8.244 4.481 1.00 0.00 O ATOM 407 ND2 ASN A 25 13.153 -7.193 5.799 1.00 0.00 N ATOM 0 H ASN A 25 9.627 -6.413 3.149 1.00 0.00 H new ATOM 0 HA ASN A 25 9.798 -6.608 5.952 1.00 0.00 H new ATOM 0 HB2 ASN A 25 11.503 -5.641 3.679 1.00 0.00 H new ATOM 0 HB3 ASN A 25 11.964 -5.103 5.282 1.00 0.00 H new ATOM 0 HD21 ASN A 25 13.648 -8.058 6.015 1.00 0.00 H new ATOM 0 HD22 ASN A 25 13.469 -6.311 6.202 1.00 0.00 H new ATOM 414 N SER A 26 8.432 -4.338 6.231 1.00 0.00 N ATOM 415 CA SER A 26 8.016 -3.043 6.742 1.00 0.00 C ATOM 416 C SER A 26 8.119 -2.012 5.630 1.00 0.00 C ATOM 417 O SER A 26 8.826 -2.216 4.644 1.00 0.00 O ATOM 418 CB SER A 26 8.877 -2.614 7.935 1.00 0.00 C ATOM 419 OG SER A 26 10.190 -2.273 7.530 1.00 0.00 O ATOM 0 H SER A 26 7.741 -5.081 6.333 1.00 0.00 H new ATOM 0 HA SER A 26 6.984 -3.118 7.085 1.00 0.00 H new ATOM 0 HB2 SER A 26 8.415 -1.760 8.431 1.00 0.00 H new ATOM 0 HB3 SER A 26 8.918 -3.423 8.665 1.00 0.00 H new ATOM 0 HG SER A 26 10.301 -2.475 6.577 1.00 0.00 H new ATOM 425 N PRO A 27 7.404 -0.901 5.742 1.00 0.00 N ATOM 426 CA PRO A 27 7.431 0.120 4.712 1.00 0.00 C ATOM 427 C PRO A 27 8.840 0.540 4.328 1.00 0.00 C ATOM 428 O PRO A 27 9.102 0.838 3.173 1.00 0.00 O ATOM 429 CB PRO A 27 6.645 1.279 5.324 1.00 0.00 C ATOM 430 CG PRO A 27 5.751 0.637 6.330 1.00 0.00 C ATOM 431 CD PRO A 27 6.500 -0.559 6.851 1.00 0.00 C ATOM 0 HA PRO A 27 7.001 -0.241 3.777 1.00 0.00 H new ATOM 0 HB2 PRO A 27 7.310 2.006 5.791 1.00 0.00 H new ATOM 0 HB3 PRO A 27 6.071 1.812 4.566 1.00 0.00 H new ATOM 0 HG2 PRO A 27 5.512 1.329 7.137 1.00 0.00 H new ATOM 0 HG3 PRO A 27 4.806 0.338 5.877 1.00 0.00 H new ATOM 0 HD2 PRO A 27 7.051 -0.323 7.761 1.00 0.00 H new ATOM 0 HD3 PRO A 27 5.827 -1.382 7.090 1.00 0.00 H new ATOM 439 N GLU A 28 9.757 0.551 5.277 1.00 0.00 N ATOM 440 CA GLU A 28 11.126 0.932 4.963 1.00 0.00 C ATOM 441 C GLU A 28 11.644 0.124 3.771 1.00 0.00 C ATOM 442 O GLU A 28 12.052 0.678 2.744 1.00 0.00 O ATOM 443 CB GLU A 28 12.030 0.694 6.175 1.00 0.00 C ATOM 444 CG GLU A 28 11.560 1.407 7.433 1.00 0.00 C ATOM 445 CD GLU A 28 12.475 1.160 8.618 1.00 0.00 C ATOM 446 OE1 GLU A 28 13.670 1.509 8.527 1.00 0.00 O ATOM 447 OE2 GLU A 28 11.995 0.615 9.635 1.00 0.00 O ATOM 0 H GLU A 28 9.588 0.307 6.253 1.00 0.00 H new ATOM 0 HA GLU A 28 11.139 1.991 4.707 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.084 -0.377 6.373 1.00 0.00 H new ATOM 0 HB3 GLU A 28 13.040 1.026 5.935 1.00 0.00 H new ATOM 0 HG2 GLU A 28 11.503 2.478 7.240 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.552 1.073 7.681 1.00 0.00 H new ATOM 454 N GLU A 29 11.620 -1.191 3.916 1.00 0.00 N ATOM 455 CA GLU A 29 12.092 -2.084 2.877 1.00 0.00 C ATOM 456 C GLU A 29 11.120 -2.232 1.719 1.00 0.00 C ATOM 457 O GLU A 29 11.477 -1.981 0.575 1.00 0.00 O ATOM 458 CB GLU A 29 12.294 -3.438 3.469 1.00 0.00 C ATOM 459 CG GLU A 29 12.985 -4.390 2.515 1.00 0.00 C ATOM 460 CD GLU A 29 14.330 -3.867 2.045 1.00 0.00 C ATOM 461 OE1 GLU A 29 14.832 -2.893 2.645 1.00 0.00 O ATOM 462 OE2 GLU A 29 14.878 -4.423 1.070 1.00 0.00 O ATOM 0 H GLU A 29 11.275 -1.664 4.751 1.00 0.00 H new ATOM 0 HA GLU A 29 13.014 -1.652 2.487 1.00 0.00 H new ATOM 0 HB2 GLU A 29 12.886 -3.348 4.380 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.328 -3.854 3.756 1.00 0.00 H new ATOM 0 HG2 GLU A 29 13.125 -5.353 3.006 1.00 0.00 H new ATOM 0 HG3 GLU A 29 12.344 -4.562 1.651 1.00 0.00 H new ATOM 469 N LEU A 30 9.899 -2.673 2.014 1.00 0.00 N ATOM 470 CA LEU A 30 8.905 -2.878 0.968 1.00 0.00 C ATOM 471 C LEU A 30 8.813 -1.627 0.096 1.00 0.00 C ATOM 472 O LEU A 30 8.813 -1.711 -1.137 1.00 0.00 O ATOM 473 CB LEU A 30 7.547 -3.206 1.595 1.00 0.00 C ATOM 474 CG LEU A 30 6.872 -2.033 2.301 1.00 0.00 C ATOM 475 CD1 LEU A 30 6.125 -1.157 1.306 1.00 0.00 C ATOM 476 CD2 LEU A 30 5.938 -2.516 3.395 1.00 0.00 C ATOM 0 H LEU A 30 9.579 -2.892 2.957 1.00 0.00 H new ATOM 0 HA LEU A 30 9.204 -3.718 0.341 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.881 -3.575 0.815 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.679 -4.017 2.311 1.00 0.00 H new ATOM 0 HG LEU A 30 7.653 -1.432 2.766 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.653 -0.328 1.834 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.826 -0.765 0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.361 -1.749 0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.472 -1.659 3.880 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.166 -3.151 2.960 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.504 -3.086 4.132 1.00 0.00 H new ATOM 488 N MET A 31 8.794 -0.463 0.741 1.00 0.00 N ATOM 489 CA MET A 31 8.762 0.796 0.017 1.00 0.00 C ATOM 490 C MET A 31 10.051 0.921 -0.779 1.00 0.00 C ATOM 491 O MET A 31 10.069 1.501 -1.864 1.00 0.00 O ATOM 492 CB MET A 31 8.629 1.987 0.968 1.00 0.00 C ATOM 493 CG MET A 31 7.924 3.190 0.371 1.00 0.00 C ATOM 494 SD MET A 31 7.953 4.625 1.473 1.00 0.00 S ATOM 495 CE MET A 31 7.205 3.965 2.963 1.00 0.00 C ATOM 0 H MET A 31 8.800 -0.370 1.757 1.00 0.00 H new ATOM 0 HA MET A 31 7.895 0.803 -0.643 1.00 0.00 H new ATOM 0 HB2 MET A 31 8.086 1.667 1.857 1.00 0.00 H new ATOM 0 HB3 MET A 31 9.624 2.289 1.294 1.00 0.00 H new ATOM 0 HG2 MET A 31 8.398 3.452 -0.575 1.00 0.00 H new ATOM 0 HG3 MET A 31 6.890 2.928 0.148 1.00 0.00 H new ATOM 0 HE1 MET A 31 6.901 4.786 3.612 1.00 0.00 H new ATOM 0 HE2 MET A 31 6.331 3.369 2.698 1.00 0.00 H new ATOM 0 HE3 MET A 31 7.927 3.338 3.486 1.00 0.00 H new ATOM 505 N ALA A 32 11.139 0.360 -0.231 1.00 0.00 N ATOM 506 CA ALA A 32 12.425 0.413 -0.912 1.00 0.00 C ATOM 507 C ALA A 32 12.423 -0.472 -2.158 1.00 0.00 C ATOM 508 O ALA A 32 13.132 -0.201 -3.126 1.00 0.00 O ATOM 509 CB ALA A 32 13.543 0.009 0.034 1.00 0.00 C ATOM 0 H ALA A 32 11.148 -0.126 0.666 1.00 0.00 H new ATOM 0 HA ALA A 32 12.598 1.440 -1.233 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.497 0.054 -0.491 1.00 0.00 H new ATOM 0 HB2 ALA A 32 13.564 0.690 0.885 1.00 0.00 H new ATOM 0 HB3 ALA A 32 13.371 -1.008 0.388 1.00 0.00 H new ATOM 515 N ALA A 33 11.628 -1.538 -2.119 1.00 0.00 N ATOM 516 CA ALA A 33 11.538 -2.471 -3.235 1.00 0.00 C ATOM 517 C ALA A 33 10.863 -1.841 -4.442 1.00 0.00 C ATOM 518 O ALA A 33 11.246 -2.108 -5.582 1.00 0.00 O ATOM 519 CB ALA A 33 10.786 -3.713 -2.812 1.00 0.00 C ATOM 0 H ALA A 33 11.036 -1.776 -1.323 1.00 0.00 H new ATOM 0 HA ALA A 33 12.554 -2.741 -3.525 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.724 -4.404 -3.652 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.311 -4.192 -1.986 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.781 -3.439 -2.493 1.00 0.00 H new ATOM 525 N LEU A 34 9.844 -1.023 -4.184 1.00 0.00 N ATOM 526 CA LEU A 34 9.089 -0.360 -5.254 1.00 0.00 C ATOM 527 C LEU A 34 9.963 -0.056 -6.477 1.00 0.00 C ATOM 528 O LEU A 34 11.155 0.227 -6.351 1.00 0.00 O ATOM 529 CB LEU A 34 8.419 0.915 -4.732 1.00 0.00 C ATOM 530 CG LEU A 34 7.086 0.680 -4.010 1.00 0.00 C ATOM 531 CD1 LEU A 34 7.286 -0.202 -2.792 1.00 0.00 C ATOM 532 CD2 LEU A 34 6.440 1.996 -3.605 1.00 0.00 C ATOM 0 H LEU A 34 9.519 -0.801 -3.243 1.00 0.00 H new ATOM 0 HA LEU A 34 8.314 -1.053 -5.580 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.104 1.418 -4.050 1.00 0.00 H new ATOM 0 HB3 LEU A 34 8.250 1.591 -5.570 1.00 0.00 H new ATOM 0 HG LEU A 34 6.417 0.172 -4.705 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.329 -0.357 -2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.693 -1.164 -3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.980 0.280 -2.103 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.497 1.797 -3.096 1.00 0.00 H new ATOM 0 HD22 LEU A 34 7.107 2.538 -2.935 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.252 2.598 -4.494 1.00 0.00 H new ATOM 544 N PRO A 35 9.373 -0.149 -7.685 1.00 0.00 N ATOM 545 CA PRO A 35 10.079 0.072 -8.955 1.00 0.00 C ATOM 546 C PRO A 35 10.933 1.338 -8.978 1.00 0.00 C ATOM 547 O PRO A 35 12.048 1.325 -9.499 1.00 0.00 O ATOM 548 CB PRO A 35 8.947 0.174 -9.994 1.00 0.00 C ATOM 549 CG PRO A 35 7.671 0.182 -9.212 1.00 0.00 C ATOM 550 CD PRO A 35 7.971 -0.511 -7.918 1.00 0.00 C ATOM 0 HA PRO A 35 10.789 -0.733 -9.144 1.00 0.00 H new ATOM 0 HB2 PRO A 35 9.045 1.081 -10.590 1.00 0.00 H new ATOM 0 HB3 PRO A 35 8.975 -0.667 -10.686 1.00 0.00 H new ATOM 0 HG2 PRO A 35 7.328 1.202 -9.037 1.00 0.00 H new ATOM 0 HG3 PRO A 35 6.878 -0.333 -9.755 1.00 0.00 H new ATOM 0 HD2 PRO A 35 7.323 -0.166 -7.112 1.00 0.00 H new ATOM 0 HD3 PRO A 35 7.837 -1.590 -7.994 1.00 0.00 H new ATOM 558 N ASN A 36 10.414 2.429 -8.433 1.00 0.00 N ATOM 559 CA ASN A 36 11.156 3.687 -8.426 1.00 0.00 C ATOM 560 C ASN A 36 12.326 3.645 -7.439 1.00 0.00 C ATOM 561 O ASN A 36 13.255 4.448 -7.537 1.00 0.00 O ATOM 562 CB ASN A 36 10.235 4.874 -8.107 1.00 0.00 C ATOM 563 CG ASN A 36 9.785 4.939 -6.654 1.00 0.00 C ATOM 564 OD1 ASN A 36 9.345 5.990 -6.186 1.00 0.00 O ATOM 565 ND2 ASN A 36 9.850 3.819 -5.939 1.00 0.00 N ATOM 0 H ASN A 36 9.494 2.472 -7.994 1.00 0.00 H new ATOM 0 HA ASN A 36 11.562 3.824 -9.428 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.753 5.800 -8.357 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.354 4.819 -8.747 1.00 0.00 H new ATOM 0 HD21 ASN A 36 9.529 3.813 -4.971 1.00 0.00 H new ATOM 0 HD22 ASN A 36 10.220 2.967 -6.359 1.00 0.00 H new ATOM 572 N GLY A 37 12.284 2.707 -6.494 1.00 0.00 N ATOM 573 CA GLY A 37 13.351 2.588 -5.517 1.00 0.00 C ATOM 574 C GLY A 37 12.948 3.039 -4.119 1.00 0.00 C ATOM 575 O GLY A 37 12.900 2.224 -3.202 1.00 0.00 O ATOM 0 H GLY A 37 11.530 2.028 -6.389 1.00 0.00 H new ATOM 0 HA2 GLY A 37 13.680 1.550 -5.474 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.204 3.179 -5.849 1.00 0.00 H new ATOM 579 N PRO A 38 12.670 4.340 -3.915 1.00 0.00 N ATOM 580 CA PRO A 38 12.296 4.867 -2.597 1.00 0.00 C ATOM 581 C PRO A 38 10.829 4.638 -2.230 1.00 0.00 C ATOM 582 O PRO A 38 10.521 4.140 -1.147 1.00 0.00 O ATOM 583 CB PRO A 38 12.572 6.363 -2.742 1.00 0.00 C ATOM 584 CG PRO A 38 12.343 6.653 -4.187 1.00 0.00 C ATOM 585 CD PRO A 38 12.724 5.401 -4.940 1.00 0.00 C ATOM 0 HA PRO A 38 12.850 4.370 -1.801 1.00 0.00 H new ATOM 0 HB2 PRO A 38 11.907 6.951 -2.110 1.00 0.00 H new ATOM 0 HB3 PRO A 38 13.592 6.608 -2.446 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.301 6.914 -4.370 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.946 7.501 -4.513 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.033 5.201 -5.759 1.00 0.00 H new ATOM 0 HD3 PRO A 38 13.719 5.485 -5.376 1.00 0.00 H new ATOM 593 N ASP A 39 9.932 5.033 -3.125 1.00 0.00 N ATOM 594 CA ASP A 39 8.507 4.910 -2.903 1.00 0.00 C ATOM 595 C ASP A 39 7.715 5.432 -4.104 1.00 0.00 C ATOM 596 O ASP A 39 7.354 6.607 -4.150 1.00 0.00 O ATOM 597 CB ASP A 39 8.129 5.710 -1.668 1.00 0.00 C ATOM 598 CG ASP A 39 8.536 7.168 -1.767 1.00 0.00 C ATOM 599 OD1 ASP A 39 9.151 7.544 -2.787 1.00 0.00 O ATOM 600 OD2 ASP A 39 8.236 7.936 -0.828 1.00 0.00 O ATOM 0 H ASP A 39 10.178 5.447 -4.024 1.00 0.00 H new ATOM 0 HA ASP A 39 8.266 3.856 -2.764 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.052 5.647 -1.516 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.601 5.264 -0.793 1.00 0.00 H new ATOM 605 N THR A 40 7.446 4.566 -5.078 1.00 0.00 N ATOM 606 CA THR A 40 6.700 4.979 -6.261 1.00 0.00 C ATOM 607 C THR A 40 5.235 5.226 -5.919 1.00 0.00 C ATOM 608 O THR A 40 4.625 4.456 -5.177 1.00 0.00 O ATOM 609 CB THR A 40 6.789 3.939 -7.400 1.00 0.00 C ATOM 610 OG1 THR A 40 6.186 4.467 -8.587 1.00 0.00 O ATOM 611 CG2 THR A 40 6.095 2.637 -7.021 1.00 0.00 C ATOM 0 H THR A 40 7.730 3.586 -5.072 1.00 0.00 H new ATOM 0 HA THR A 40 7.157 5.905 -6.609 1.00 0.00 H new ATOM 0 HB THR A 40 7.844 3.728 -7.578 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.246 3.805 -9.307 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.177 1.928 -7.845 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.568 2.218 -6.133 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.043 2.832 -6.814 1.00 0.00 H new ATOM 619 N THR A 41 4.673 6.304 -6.454 1.00 0.00 N ATOM 620 CA THR A 41 3.279 6.640 -6.188 1.00 0.00 C ATOM 621 C THR A 41 2.344 6.017 -7.221 1.00 0.00 C ATOM 622 O THR A 41 2.508 6.218 -8.425 1.00 0.00 O ATOM 623 CB THR A 41 3.061 8.164 -6.174 1.00 0.00 C ATOM 624 OG1 THR A 41 3.998 8.787 -5.285 1.00 0.00 O ATOM 625 CG2 THR A 41 1.645 8.500 -5.735 1.00 0.00 C ATOM 0 H THR A 41 5.157 6.957 -7.071 1.00 0.00 H new ATOM 0 HA THR A 41 3.046 6.233 -5.204 1.00 0.00 H new ATOM 0 HB THR A 41 3.214 8.540 -7.186 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.418 9.550 -5.735 1.00 0.00 H new ATOM 0 HG21 THR A 41 1.512 9.582 -5.732 1.00 0.00 H new ATOM 0 HG22 THR A 41 0.933 8.049 -6.426 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.473 8.111 -4.732 1.00 0.00 H new ATOM 633 N CYS A 42 1.353 5.274 -6.738 1.00 0.00 N ATOM 634 CA CYS A 42 0.374 4.635 -7.612 1.00 0.00 C ATOM 635 C CYS A 42 -0.914 5.451 -7.641 1.00 0.00 C ATOM 636 O CYS A 42 -2.006 4.923 -7.430 1.00 0.00 O ATOM 637 CB CYS A 42 0.086 3.206 -7.141 1.00 0.00 C ATOM 638 SG CYS A 42 1.551 2.151 -7.050 1.00 0.00 S ATOM 0 H CYS A 42 1.206 5.099 -5.744 1.00 0.00 H new ATOM 0 HA CYS A 42 0.785 4.589 -8.620 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.382 3.246 -6.157 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.636 2.750 -7.819 1.00 0.00 H new ATOM 0 HG CYS A 42 1.208 0.966 -6.641 1.00 0.00 H new ATOM 644 N LYS A 43 -0.771 6.750 -7.887 1.00 0.00 N ATOM 645 CA LYS A 43 -1.912 7.658 -7.927 1.00 0.00 C ATOM 646 C LYS A 43 -2.717 7.494 -9.213 1.00 0.00 C ATOM 647 O LYS A 43 -2.160 7.242 -10.282 1.00 0.00 O ATOM 648 CB LYS A 43 -1.436 9.106 -7.791 1.00 0.00 C ATOM 649 CG LYS A 43 -0.462 9.529 -8.879 1.00 0.00 C ATOM 650 CD LYS A 43 -0.035 10.978 -8.713 1.00 0.00 C ATOM 651 CE LYS A 43 0.931 11.403 -9.809 1.00 0.00 C ATOM 652 NZ LYS A 43 1.350 12.824 -9.660 1.00 0.00 N ATOM 0 H LYS A 43 0.128 7.199 -8.062 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.564 7.409 -7.090 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.302 9.768 -7.812 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.960 9.234 -6.819 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.417 8.885 -8.853 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.926 9.395 -9.856 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.914 11.622 -8.731 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.437 11.110 -7.739 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.811 10.761 -9.786 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.460 11.264 -10.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.008 13.074 -10.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.513 13.440 -9.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.822 12.952 -8.742 1.00 0.00 H new ATOM 666 N SER A 44 -4.035 7.638 -9.095 1.00 0.00 N ATOM 667 CA SER A 44 -4.932 7.507 -10.238 1.00 0.00 C ATOM 668 C SER A 44 -6.246 8.243 -9.983 1.00 0.00 C ATOM 669 O SER A 44 -6.809 8.165 -8.890 1.00 0.00 O ATOM 670 CB SER A 44 -5.214 6.032 -10.520 1.00 0.00 C ATOM 671 OG SER A 44 -4.015 5.325 -10.789 1.00 0.00 O ATOM 0 H SER A 44 -4.506 7.846 -8.215 1.00 0.00 H new ATOM 0 HA SER A 44 -4.445 7.953 -11.105 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.719 5.585 -9.664 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.890 5.944 -11.370 1.00 0.00 H new ATOM 0 HG SER A 44 -4.223 4.383 -10.965 1.00 0.00 H new ATOM 677 N GLY A 45 -6.732 8.953 -10.997 1.00 0.00 N ATOM 678 CA GLY A 45 -7.978 9.689 -10.857 1.00 0.00 C ATOM 679 C GLY A 45 -7.898 10.773 -9.801 1.00 0.00 C ATOM 680 O GLY A 45 -8.756 10.857 -8.921 1.00 0.00 O ATOM 0 H GLY A 45 -6.287 9.032 -11.911 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.240 10.138 -11.815 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.779 8.995 -10.601 1.00 0.00 H new ATOM 684 N ASP A 46 -6.863 11.603 -9.885 1.00 0.00 N ATOM 685 CA ASP A 46 -6.668 12.686 -8.928 1.00 0.00 C ATOM 686 C ASP A 46 -6.553 12.143 -7.505 1.00 0.00 C ATOM 687 O ASP A 46 -6.802 12.858 -6.534 1.00 0.00 O ATOM 688 CB ASP A 46 -7.823 13.684 -9.013 1.00 0.00 C ATOM 689 CG ASP A 46 -7.948 14.310 -10.387 1.00 0.00 C ATOM 690 OD1 ASP A 46 -8.149 13.560 -11.366 1.00 0.00 O ATOM 691 OD2 ASP A 46 -7.845 15.550 -10.486 1.00 0.00 O ATOM 0 H ASP A 46 -6.145 11.546 -10.608 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.738 13.195 -9.179 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.755 13.178 -8.761 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.676 14.469 -8.271 1.00 0.00 H new ATOM 696 N VAL A 47 -6.166 10.878 -7.393 1.00 0.00 N ATOM 697 CA VAL A 47 -6.004 10.234 -6.096 1.00 0.00 C ATOM 698 C VAL A 47 -4.625 9.594 -5.996 1.00 0.00 C ATOM 699 O VAL A 47 -4.170 8.947 -6.936 1.00 0.00 O ATOM 700 CB VAL A 47 -7.084 9.158 -5.868 1.00 0.00 C ATOM 701 CG1 VAL A 47 -6.977 8.582 -4.465 1.00 0.00 C ATOM 702 CG2 VAL A 47 -8.470 9.731 -6.113 1.00 0.00 C ATOM 0 H VAL A 47 -5.958 10.276 -8.189 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.110 11.001 -5.329 1.00 0.00 H new ATOM 0 HB VAL A 47 -6.920 8.350 -6.581 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.748 7.824 -4.323 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.994 8.130 -4.331 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.112 9.379 -3.733 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -9.219 8.956 -5.947 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.647 10.560 -5.428 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -8.540 10.089 -7.140 1.00 0.00 H new ATOM 712 N GLU A 48 -3.952 9.781 -4.865 1.00 0.00 N ATOM 713 CA GLU A 48 -2.620 9.213 -4.688 1.00 0.00 C ATOM 714 C GLU A 48 -2.573 8.260 -3.498 1.00 0.00 C ATOM 715 O GLU A 48 -3.022 8.592 -2.401 1.00 0.00 O ATOM 716 CB GLU A 48 -1.586 10.325 -4.503 1.00 0.00 C ATOM 717 CG GLU A 48 -1.764 11.493 -5.461 1.00 0.00 C ATOM 718 CD GLU A 48 -0.726 12.579 -5.253 1.00 0.00 C ATOM 719 OE1 GLU A 48 -0.665 13.137 -4.137 1.00 0.00 O ATOM 720 OE2 GLU A 48 0.027 12.872 -6.207 1.00 0.00 O ATOM 0 H GLU A 48 -4.300 10.313 -4.068 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.382 8.646 -5.588 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.643 10.695 -3.479 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.588 9.907 -4.636 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.704 11.130 -6.487 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.760 11.917 -5.331 1.00 0.00 H new ATOM 727 N LEU A 49 -2.014 7.074 -3.727 1.00 0.00 N ATOM 728 CA LEU A 49 -1.890 6.059 -2.686 1.00 0.00 C ATOM 729 C LEU A 49 -0.566 5.318 -2.821 1.00 0.00 C ATOM 730 O LEU A 49 -0.155 4.956 -3.923 1.00 0.00 O ATOM 731 CB LEU A 49 -3.044 5.051 -2.755 1.00 0.00 C ATOM 732 CG LEU A 49 -4.418 5.582 -2.341 1.00 0.00 C ATOM 733 CD1 LEU A 49 -4.360 6.189 -0.946 1.00 0.00 C ATOM 734 CD2 LEU A 49 -4.937 6.593 -3.354 1.00 0.00 C ATOM 0 H LEU A 49 -1.637 6.792 -4.632 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.926 6.568 -1.723 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.113 4.676 -3.776 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.797 4.201 -2.119 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.115 4.744 -2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -5.347 6.561 -0.670 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.046 5.429 -0.231 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.646 7.013 -0.937 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.915 6.956 -3.038 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.243 7.431 -3.420 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.025 6.117 -4.331 1.00 0.00 H new ATOM 746 N LYS A 50 0.095 5.093 -1.693 1.00 0.00 N ATOM 747 CA LYS A 50 1.372 4.392 -1.684 1.00 0.00 C ATOM 748 C LYS A 50 1.836 4.132 -0.257 1.00 0.00 C ATOM 749 O LYS A 50 1.166 4.508 0.701 1.00 0.00 O ATOM 750 CB LYS A 50 2.429 5.191 -2.450 1.00 0.00 C ATOM 751 CG LYS A 50 2.670 6.580 -1.883 1.00 0.00 C ATOM 752 CD LYS A 50 3.716 7.338 -2.685 1.00 0.00 C ATOM 753 CE LYS A 50 3.870 8.768 -2.190 1.00 0.00 C ATOM 754 NZ LYS A 50 4.935 9.501 -2.928 1.00 0.00 N ATOM 0 H LYS A 50 -0.232 5.386 -0.772 1.00 0.00 H new ATOM 0 HA LYS A 50 1.235 3.431 -2.181 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.368 4.637 -2.443 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.120 5.281 -3.491 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.735 7.140 -1.882 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.994 6.499 -0.846 1.00 0.00 H new ATOM 0 HD2 LYS A 50 4.674 6.822 -2.615 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.434 7.345 -3.738 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.922 9.295 -2.303 1.00 0.00 H new ATOM 0 HE3 LYS A 50 4.106 8.760 -1.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 4.895 10.511 -2.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 5.866 9.117 -2.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.789 9.387 -3.951 1.00 0.00 H new ATOM 768 N ALA A 51 2.979 3.475 -0.126 1.00 0.00 N ATOM 769 CA ALA A 51 3.525 3.151 1.185 1.00 0.00 C ATOM 770 C ALA A 51 3.923 4.406 1.961 1.00 0.00 C ATOM 771 O ALA A 51 3.720 4.489 3.169 1.00 0.00 O ATOM 772 CB ALA A 51 4.712 2.210 1.036 1.00 0.00 C ATOM 0 H ALA A 51 3.547 3.156 -0.911 1.00 0.00 H new ATOM 0 HA ALA A 51 2.745 2.652 1.760 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.114 1.973 2.021 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.389 1.292 0.545 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.484 2.690 0.435 1.00 0.00 H new ATOM 778 N SER A 52 4.500 5.379 1.270 1.00 0.00 N ATOM 779 CA SER A 52 4.930 6.613 1.919 1.00 0.00 C ATOM 780 C SER A 52 3.740 7.428 2.430 1.00 0.00 C ATOM 781 O SER A 52 3.711 7.837 3.591 1.00 0.00 O ATOM 782 CB SER A 52 5.762 7.455 0.952 1.00 0.00 C ATOM 783 OG SER A 52 6.166 8.674 1.553 1.00 0.00 O ATOM 0 H SER A 52 4.681 5.340 0.267 1.00 0.00 H new ATOM 0 HA SER A 52 5.541 6.338 2.779 1.00 0.00 H new ATOM 0 HB2 SER A 52 6.641 6.892 0.639 1.00 0.00 H new ATOM 0 HB3 SER A 52 5.180 7.664 0.054 1.00 0.00 H new ATOM 0 HG SER A 52 6.698 9.193 0.914 1.00 0.00 H new ATOM 789 N ASP A 53 2.769 7.673 1.555 1.00 0.00 N ATOM 790 CA ASP A 53 1.587 8.455 1.913 1.00 0.00 C ATOM 791 C ASP A 53 0.643 7.688 2.839 1.00 0.00 C ATOM 792 O ASP A 53 0.229 8.206 3.874 1.00 0.00 O ATOM 793 CB ASP A 53 0.835 8.878 0.650 1.00 0.00 C ATOM 794 CG ASP A 53 1.664 9.782 -0.244 1.00 0.00 C ATOM 795 OD1 ASP A 53 2.822 10.075 0.119 1.00 0.00 O ATOM 796 OD2 ASP A 53 1.155 10.196 -1.308 1.00 0.00 O ATOM 0 H ASP A 53 2.776 7.341 0.591 1.00 0.00 H new ATOM 0 HA ASP A 53 1.935 9.336 2.452 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.541 7.990 0.091 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -0.082 9.394 0.933 1.00 0.00 H new ATOM 801 N ALA A 54 0.285 6.468 2.451 1.00 0.00 N ATOM 802 CA ALA A 54 -0.633 5.651 3.244 1.00 0.00 C ATOM 803 C ALA A 54 0.093 4.811 4.290 1.00 0.00 C ATOM 804 O ALA A 54 -0.333 4.745 5.443 1.00 0.00 O ATOM 805 CB ALA A 54 -1.460 4.757 2.334 1.00 0.00 C ATOM 0 H ALA A 54 0.615 6.022 1.595 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.292 6.334 3.780 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.139 4.154 2.936 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.036 5.374 1.644 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.798 4.102 1.768 1.00 0.00 H new ATOM 811 N GLY A 55 1.180 4.156 3.884 1.00 0.00 N ATOM 812 CA GLY A 55 1.934 3.313 4.806 1.00 0.00 C ATOM 813 C GLY A 55 2.168 3.965 6.158 1.00 0.00 C ATOM 814 O GLY A 55 2.306 3.275 7.168 1.00 0.00 O ATOM 0 H GLY A 55 1.553 4.192 2.935 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.399 2.374 4.950 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.896 3.066 4.358 1.00 0.00 H new ATOM 818 N GLN A 56 2.206 5.296 6.179 1.00 0.00 N ATOM 819 CA GLN A 56 2.416 6.048 7.417 1.00 0.00 C ATOM 820 C GLN A 56 1.592 5.472 8.562 1.00 0.00 C ATOM 821 O GLN A 56 2.018 5.470 9.717 1.00 0.00 O ATOM 822 CB GLN A 56 2.022 7.510 7.213 1.00 0.00 C ATOM 823 CG GLN A 56 0.620 7.684 6.657 1.00 0.00 C ATOM 824 CD GLN A 56 0.259 9.139 6.431 1.00 0.00 C ATOM 825 OE1 GLN A 56 0.914 9.842 5.662 1.00 0.00 O ATOM 826 NE2 GLN A 56 -0.790 9.600 7.105 1.00 0.00 N ATOM 0 H GLN A 56 2.094 5.879 5.350 1.00 0.00 H new ATOM 0 HA GLN A 56 3.473 5.975 7.673 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.095 8.035 8.166 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.735 7.980 6.535 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.537 7.142 5.715 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.098 7.238 7.345 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.305 8.982 7.732 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -1.080 10.572 6.995 1.00 0.00 H new ATOM 835 N VAL A 57 0.402 5.000 8.225 1.00 0.00 N ATOM 836 CA VAL A 57 -0.511 4.434 9.203 1.00 0.00 C ATOM 837 C VAL A 57 0.042 3.150 9.818 1.00 0.00 C ATOM 838 O VAL A 57 -0.201 2.863 10.990 1.00 0.00 O ATOM 839 CB VAL A 57 -1.881 4.165 8.555 1.00 0.00 C ATOM 840 CG1 VAL A 57 -2.461 5.468 8.023 1.00 0.00 C ATOM 841 CG2 VAL A 57 -1.753 3.137 7.442 1.00 0.00 C ATOM 0 H VAL A 57 0.044 4.999 7.270 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.628 5.161 10.007 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.557 3.761 9.308 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.431 5.274 7.565 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.582 6.174 8.844 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.786 5.890 7.278 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.732 2.960 6.996 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.069 3.509 6.680 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.367 2.204 7.851 1.00 0.00 H new ATOM 851 N LEU A 58 0.792 2.384 9.031 1.00 0.00 N ATOM 852 CA LEU A 58 1.377 1.140 9.521 1.00 0.00 C ATOM 853 C LEU A 58 2.420 1.436 10.598 1.00 0.00 C ATOM 854 O LEU A 58 3.415 2.112 10.337 1.00 0.00 O ATOM 855 CB LEU A 58 2.033 0.363 8.374 1.00 0.00 C ATOM 856 CG LEU A 58 1.220 0.301 7.077 1.00 0.00 C ATOM 857 CD1 LEU A 58 1.976 -0.482 6.011 1.00 0.00 C ATOM 858 CD2 LEU A 58 -0.148 -0.316 7.329 1.00 0.00 C ATOM 0 H LEU A 58 1.008 2.601 8.058 1.00 0.00 H new ATOM 0 HA LEU A 58 0.578 0.533 9.948 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.000 0.816 8.156 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.227 -0.655 8.711 1.00 0.00 H new ATOM 0 HG LEU A 58 1.072 1.318 6.715 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.384 -0.516 5.096 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.929 0.006 5.808 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.156 -1.497 6.365 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.709 -0.351 6.395 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.025 -1.327 7.716 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.691 0.288 8.056 1.00 0.00 H new ATOM 870 N THR A 59 2.192 0.926 11.806 1.00 0.00 N ATOM 871 CA THR A 59 3.123 1.143 12.908 1.00 0.00 C ATOM 872 C THR A 59 4.348 0.242 12.777 1.00 0.00 C ATOM 873 O THR A 59 4.293 -0.805 12.133 1.00 0.00 O ATOM 874 CB THR A 59 2.457 0.907 14.279 1.00 0.00 C ATOM 875 OG1 THR A 59 2.009 -0.449 14.388 1.00 0.00 O ATOM 876 CG2 THR A 59 1.281 1.850 14.476 1.00 0.00 C ATOM 0 H THR A 59 1.376 0.363 12.045 1.00 0.00 H new ATOM 0 HA THR A 59 3.436 2.186 12.852 1.00 0.00 H new ATOM 0 HB THR A 59 3.199 1.104 15.053 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.889 -0.827 13.492 1.00 0.00 H new ATOM 0 HG21 THR A 59 0.826 1.666 15.449 1.00 0.00 H new ATOM 0 HG22 THR A 59 1.630 2.882 14.427 1.00 0.00 H new ATOM 0 HG23 THR A 59 0.543 1.679 13.693 1.00 0.00 H new ATOM 884 N ALA A 60 5.455 0.661 13.385 1.00 0.00 N ATOM 885 CA ALA A 60 6.701 -0.104 13.332 1.00 0.00 C ATOM 886 C ALA A 60 6.463 -1.585 13.612 1.00 0.00 C ATOM 887 O ALA A 60 7.056 -2.451 12.971 1.00 0.00 O ATOM 888 CB ALA A 60 7.708 0.465 14.320 1.00 0.00 C ATOM 0 H ALA A 60 5.516 1.527 13.921 1.00 0.00 H new ATOM 0 HA ALA A 60 7.102 -0.018 12.322 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.631 -0.112 14.272 1.00 0.00 H new ATOM 0 HB2 ALA A 60 7.917 1.505 14.069 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.299 0.411 15.329 1.00 0.00 H new ATOM 894 N ASP A 61 5.590 -1.870 14.573 1.00 0.00 N ATOM 895 CA ASP A 61 5.271 -3.247 14.935 1.00 0.00 C ATOM 896 C ASP A 61 4.835 -4.052 13.712 1.00 0.00 C ATOM 897 O ASP A 61 4.972 -5.275 13.680 1.00 0.00 O ATOM 898 CB ASP A 61 4.169 -3.273 15.996 1.00 0.00 C ATOM 899 CG ASP A 61 4.565 -2.543 17.265 1.00 0.00 C ATOM 900 OD1 ASP A 61 5.696 -2.017 17.318 1.00 0.00 O ATOM 901 OD2 ASP A 61 3.744 -2.497 18.206 1.00 0.00 O ATOM 0 H ASP A 61 5.090 -1.165 15.116 1.00 0.00 H new ATOM 0 HA ASP A 61 6.173 -3.705 15.342 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.266 -2.820 15.588 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.926 -4.308 16.237 1.00 0.00 H new ATOM 906 N ASP A 62 4.297 -3.358 12.713 1.00 0.00 N ATOM 907 CA ASP A 62 3.826 -4.002 11.489 1.00 0.00 C ATOM 908 C ASP A 62 4.969 -4.535 10.629 1.00 0.00 C ATOM 909 O ASP A 62 4.725 -5.031 9.528 1.00 0.00 O ATOM 910 CB ASP A 62 3.005 -3.026 10.652 1.00 0.00 C ATOM 911 CG ASP A 62 1.831 -2.447 11.414 1.00 0.00 C ATOM 912 OD1 ASP A 62 2.061 -1.818 12.466 1.00 0.00 O ATOM 913 OD2 ASP A 62 0.682 -2.624 10.959 1.00 0.00 O ATOM 0 H ASP A 62 4.176 -2.345 12.727 1.00 0.00 H new ATOM 0 HA ASP A 62 3.212 -4.845 11.805 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.648 -2.214 10.312 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.639 -3.536 9.761 1.00 0.00 H new ATOM 918 N PHE A 63 6.212 -4.423 11.103 1.00 0.00 N ATOM 919 CA PHE A 63 7.358 -4.895 10.325 1.00 0.00 C ATOM 920 C PHE A 63 7.042 -6.213 9.623 1.00 0.00 C ATOM 921 O PHE A 63 6.977 -6.262 8.398 1.00 0.00 O ATOM 922 CB PHE A 63 8.594 -5.053 11.214 1.00 0.00 C ATOM 923 CG PHE A 63 9.682 -4.064 10.911 1.00 0.00 C ATOM 924 CD1 PHE A 63 9.446 -2.702 10.997 1.00 0.00 C ATOM 925 CD2 PHE A 63 10.941 -4.501 10.537 1.00 0.00 C ATOM 926 CE1 PHE A 63 10.448 -1.793 10.716 1.00 0.00 C ATOM 927 CE2 PHE A 63 11.947 -3.597 10.255 1.00 0.00 C ATOM 928 CZ PHE A 63 11.700 -2.241 10.346 1.00 0.00 C ATOM 0 H PHE A 63 6.448 -4.016 12.008 1.00 0.00 H new ATOM 0 HA PHE A 63 7.571 -4.144 9.564 1.00 0.00 H new ATOM 0 HB2 PHE A 63 8.297 -4.946 12.257 1.00 0.00 H new ATOM 0 HB3 PHE A 63 8.989 -6.062 11.097 1.00 0.00 H new ATOM 0 HD1 PHE A 63 8.468 -2.347 11.287 1.00 0.00 H new ATOM 0 HD2 PHE A 63 11.139 -5.560 10.465 1.00 0.00 H new ATOM 0 HE1 PHE A 63 10.252 -0.733 10.786 1.00 0.00 H new ATOM 0 HE2 PHE A 63 12.925 -3.950 9.964 1.00 0.00 H new ATOM 0 HZ PHE A 63 12.485 -1.532 10.128 1.00 0.00 H new ATOM 938 N PRO A 64 6.815 -7.296 10.386 1.00 0.00 N ATOM 939 CA PRO A 64 6.484 -8.603 9.812 1.00 0.00 C ATOM 940 C PRO A 64 5.055 -8.645 9.283 1.00 0.00 C ATOM 941 O PRO A 64 4.155 -9.184 9.928 1.00 0.00 O ATOM 942 CB PRO A 64 6.658 -9.556 10.991 1.00 0.00 C ATOM 943 CG PRO A 64 6.365 -8.723 12.191 1.00 0.00 C ATOM 944 CD PRO A 64 6.841 -7.333 11.862 1.00 0.00 C ATOM 0 HA PRO A 64 7.110 -8.854 8.956 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.976 -10.403 10.920 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.669 -9.962 11.027 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.299 -8.726 12.417 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.878 -9.113 13.070 1.00 0.00 H new ATOM 0 HD2 PRO A 64 6.189 -6.574 12.293 1.00 0.00 H new ATOM 0 HD3 PRO A 64 7.843 -7.150 12.250 1.00 0.00 H new ATOM 952 N PHE A 65 4.859 -8.066 8.106 1.00 0.00 N ATOM 953 CA PHE A 65 3.545 -8.021 7.474 1.00 0.00 C ATOM 954 C PHE A 65 3.185 -9.365 6.852 1.00 0.00 C ATOM 955 O PHE A 65 4.043 -10.051 6.296 1.00 0.00 O ATOM 956 CB PHE A 65 3.523 -6.957 6.380 1.00 0.00 C ATOM 957 CG PHE A 65 2.726 -5.730 6.720 1.00 0.00 C ATOM 958 CD1 PHE A 65 1.359 -5.729 6.538 1.00 0.00 C ATOM 959 CD2 PHE A 65 3.334 -4.584 7.208 1.00 0.00 C ATOM 960 CE1 PHE A 65 0.602 -4.620 6.832 1.00 0.00 C ATOM 961 CE2 PHE A 65 2.582 -3.464 7.505 1.00 0.00 C ATOM 962 CZ PHE A 65 1.213 -3.482 7.317 1.00 0.00 C ATOM 0 H PHE A 65 5.599 -7.618 7.565 1.00 0.00 H new ATOM 0 HA PHE A 65 2.817 -7.780 8.249 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.548 -6.659 6.160 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.117 -7.398 5.470 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.874 -6.616 6.157 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.404 -4.567 7.357 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.468 -4.639 6.684 1.00 0.00 H new ATOM 0 HE2 PHE A 65 3.064 -2.575 7.884 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.623 -2.608 7.549 1.00 0.00 H new ATOM 972 N LYS A 66 1.908 -9.721 6.927 1.00 0.00 N ATOM 973 CA LYS A 66 1.430 -10.967 6.345 1.00 0.00 C ATOM 974 C LYS A 66 1.477 -10.885 4.823 1.00 0.00 C ATOM 975 O LYS A 66 0.442 -10.847 4.146 1.00 0.00 O ATOM 976 CB LYS A 66 0.014 -11.282 6.815 1.00 0.00 C ATOM 977 CG LYS A 66 -0.104 -11.449 8.322 1.00 0.00 C ATOM 978 CD LYS A 66 0.768 -12.588 8.826 1.00 0.00 C ATOM 979 CE LYS A 66 0.648 -12.755 10.333 1.00 0.00 C ATOM 980 NZ LYS A 66 1.495 -13.871 10.838 1.00 0.00 N ATOM 0 H LYS A 66 1.186 -9.164 7.385 1.00 0.00 H new ATOM 0 HA LYS A 66 2.083 -11.774 6.678 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -0.653 -10.482 6.493 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.326 -12.196 6.329 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.186 -10.521 8.816 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.144 -11.640 8.588 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.479 -13.515 8.332 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.808 -12.396 8.561 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.939 -11.827 10.825 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -0.393 -12.942 10.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.385 -13.951 11.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.201 -14.761 10.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.492 -13.681 10.610 1.00 0.00 H new ATOM 994 N SER A 67 2.692 -10.847 4.299 1.00 0.00 N ATOM 995 CA SER A 67 2.914 -10.769 2.867 1.00 0.00 C ATOM 996 C SER A 67 2.284 -9.517 2.258 1.00 0.00 C ATOM 997 O SER A 67 1.402 -8.886 2.849 1.00 0.00 O ATOM 998 CB SER A 67 2.381 -12.025 2.179 1.00 0.00 C ATOM 999 OG SER A 67 2.965 -13.193 2.729 1.00 0.00 O ATOM 0 H SER A 67 3.548 -10.869 4.853 1.00 0.00 H new ATOM 0 HA SER A 67 3.990 -10.703 2.705 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.297 -12.071 2.287 1.00 0.00 H new ATOM 0 HB3 SER A 67 2.593 -11.977 1.111 1.00 0.00 H new ATOM 0 HG SER A 67 2.607 -13.983 2.274 1.00 0.00 H new ATOM 1005 N ALA A 68 2.760 -9.165 1.068 1.00 0.00 N ATOM 1006 CA ALA A 68 2.275 -7.994 0.347 1.00 0.00 C ATOM 1007 C ALA A 68 0.758 -7.993 0.235 1.00 0.00 C ATOM 1008 O ALA A 68 0.138 -6.936 0.106 1.00 0.00 O ATOM 1009 CB ALA A 68 2.916 -7.943 -1.032 1.00 0.00 C ATOM 0 H ALA A 68 3.490 -9.682 0.578 1.00 0.00 H new ATOM 0 HA ALA A 68 2.557 -7.104 0.909 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.553 -7.067 -1.570 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.999 -7.881 -0.928 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.656 -8.844 -1.588 1.00 0.00 H new ATOM 1015 N GLU A 69 0.161 -9.175 0.282 1.00 0.00 N ATOM 1016 CA GLU A 69 -1.284 -9.294 0.184 1.00 0.00 C ATOM 1017 C GLU A 69 -1.984 -8.532 1.307 1.00 0.00 C ATOM 1018 O GLU A 69 -2.921 -7.768 1.051 1.00 0.00 O ATOM 1019 CB GLU A 69 -1.702 -10.763 0.208 1.00 0.00 C ATOM 1020 CG GLU A 69 -1.299 -11.476 1.475 1.00 0.00 C ATOM 1021 CD GLU A 69 -1.589 -12.963 1.429 1.00 0.00 C ATOM 1022 OE1 GLU A 69 -2.770 -13.333 1.265 1.00 0.00 O ATOM 1023 OE2 GLU A 69 -0.634 -13.758 1.555 1.00 0.00 O ATOM 0 H GLU A 69 0.654 -10.062 0.387 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.588 -8.853 -0.765 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.784 -10.828 0.091 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.258 -11.274 -0.646 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.234 -11.323 1.650 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.827 -11.033 2.320 1.00 0.00 H new ATOM 1030 N GLU A 70 -1.550 -8.732 2.557 1.00 0.00 N ATOM 1031 CA GLU A 70 -2.191 -8.041 3.664 1.00 0.00 C ATOM 1032 C GLU A 70 -1.799 -6.572 3.695 1.00 0.00 C ATOM 1033 O GLU A 70 -2.592 -5.728 4.094 1.00 0.00 O ATOM 1034 CB GLU A 70 -1.912 -8.725 5.011 1.00 0.00 C ATOM 1035 CG GLU A 70 -0.657 -8.248 5.718 1.00 0.00 C ATOM 1036 CD GLU A 70 -0.884 -8.042 7.207 1.00 0.00 C ATOM 1037 OE1 GLU A 70 -1.218 -9.026 7.898 1.00 0.00 O ATOM 1038 OE2 GLU A 70 -0.715 -6.902 7.684 1.00 0.00 O ATOM 0 H GLU A 70 -0.780 -9.349 2.816 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.267 -8.097 3.498 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -2.766 -8.564 5.668 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.834 -9.800 4.848 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.141 -8.976 5.570 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.322 -7.313 5.270 1.00 0.00 H new ATOM 1045 N VAL A 71 -0.580 -6.266 3.268 1.00 0.00 N ATOM 1046 CA VAL A 71 -0.124 -4.881 3.249 1.00 0.00 C ATOM 1047 C VAL A 71 -0.999 -4.047 2.324 1.00 0.00 C ATOM 1048 O VAL A 71 -1.452 -2.966 2.691 1.00 0.00 O ATOM 1049 CB VAL A 71 1.340 -4.776 2.807 1.00 0.00 C ATOM 1050 CG1 VAL A 71 1.807 -3.327 2.819 1.00 0.00 C ATOM 1051 CG2 VAL A 71 2.207 -5.632 3.707 1.00 0.00 C ATOM 0 H VAL A 71 0.102 -6.947 2.935 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.202 -4.497 4.266 1.00 0.00 H new ATOM 0 HB VAL A 71 1.427 -5.142 1.784 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.849 -3.278 2.502 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.192 -2.741 2.136 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.715 -2.924 3.827 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.247 -5.555 3.390 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.115 -5.287 4.737 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.884 -6.671 3.643 1.00 0.00 H new ATOM 1061 N ALA A 72 -1.252 -4.569 1.128 1.00 0.00 N ATOM 1062 CA ALA A 72 -2.094 -3.875 0.164 1.00 0.00 C ATOM 1063 C ALA A 72 -3.476 -3.639 0.759 1.00 0.00 C ATOM 1064 O ALA A 72 -4.035 -2.547 0.653 1.00 0.00 O ATOM 1065 CB ALA A 72 -2.195 -4.676 -1.126 1.00 0.00 C ATOM 0 H ALA A 72 -0.888 -5.465 0.806 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.644 -2.910 -0.069 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -2.828 -4.144 -1.836 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.200 -4.806 -1.553 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.629 -5.653 -0.915 1.00 0.00 H new ATOM 1071 N ASP A 73 -4.013 -4.674 1.398 1.00 0.00 N ATOM 1072 CA ASP A 73 -5.324 -4.588 2.030 1.00 0.00 C ATOM 1073 C ASP A 73 -5.307 -3.548 3.148 1.00 0.00 C ATOM 1074 O ASP A 73 -6.241 -2.765 3.308 1.00 0.00 O ATOM 1075 CB ASP A 73 -5.714 -5.952 2.606 1.00 0.00 C ATOM 1076 CG ASP A 73 -7.158 -5.992 3.069 1.00 0.00 C ATOM 1077 OD1 ASP A 73 -8.056 -5.773 2.230 1.00 0.00 O ATOM 1078 OD2 ASP A 73 -7.390 -6.243 4.271 1.00 0.00 O ATOM 0 H ASP A 73 -3.559 -5.583 1.492 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.054 -4.289 1.278 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -5.556 -6.721 1.850 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.060 -6.190 3.445 1.00 0.00 H new ATOM 1083 N THR A 74 -4.233 -3.568 3.926 1.00 0.00 N ATOM 1084 CA THR A 74 -4.056 -2.660 5.051 1.00 0.00 C ATOM 1085 C THR A 74 -3.970 -1.200 4.605 1.00 0.00 C ATOM 1086 O THR A 74 -4.665 -0.338 5.141 1.00 0.00 O ATOM 1087 CB THR A 74 -2.781 -3.027 5.835 1.00 0.00 C ATOM 1088 OG1 THR A 74 -2.874 -4.374 6.312 1.00 0.00 O ATOM 1089 CG2 THR A 74 -2.562 -2.089 7.010 1.00 0.00 C ATOM 0 H THR A 74 -3.457 -4.217 3.794 1.00 0.00 H new ATOM 0 HA THR A 74 -4.933 -2.767 5.690 1.00 0.00 H new ATOM 0 HB THR A 74 -1.933 -2.930 5.157 1.00 0.00 H new ATOM 0 HG1 THR A 74 -2.799 -4.994 5.557 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.654 -2.376 7.541 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.461 -1.067 6.646 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.413 -2.150 7.688 1.00 0.00 H new ATOM 1097 N ILE A 75 -3.105 -0.928 3.634 1.00 0.00 N ATOM 1098 CA ILE A 75 -2.922 0.428 3.132 1.00 0.00 C ATOM 1099 C ILE A 75 -4.229 1.009 2.597 1.00 0.00 C ATOM 1100 O ILE A 75 -4.633 2.104 2.985 1.00 0.00 O ATOM 1101 CB ILE A 75 -1.847 0.467 2.023 1.00 0.00 C ATOM 1102 CG1 ILE A 75 -0.497 0.008 2.581 1.00 0.00 C ATOM 1103 CG2 ILE A 75 -1.725 1.863 1.422 1.00 0.00 C ATOM 1104 CD1 ILE A 75 0.606 -0.020 1.546 1.00 0.00 C ATOM 0 H ILE A 75 -2.520 -1.629 3.179 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.590 1.037 3.973 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.154 -0.214 1.229 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.204 0.672 3.394 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.609 -0.989 3.008 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.961 1.859 0.645 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.681 2.158 0.990 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.446 2.572 2.202 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.533 -0.354 2.011 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.335 -0.706 0.744 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.746 0.980 1.136 1.00 0.00 H new ATOM 1116 N VAL A 76 -4.880 0.278 1.701 1.00 0.00 N ATOM 1117 CA VAL A 76 -6.132 0.736 1.111 1.00 0.00 C ATOM 1118 C VAL A 76 -7.209 0.996 2.165 1.00 0.00 C ATOM 1119 O VAL A 76 -7.914 2.001 2.096 1.00 0.00 O ATOM 1120 CB VAL A 76 -6.664 -0.259 0.059 1.00 0.00 C ATOM 1121 CG1 VAL A 76 -5.831 -0.180 -1.211 1.00 0.00 C ATOM 1122 CG2 VAL A 76 -6.667 -1.679 0.607 1.00 0.00 C ATOM 0 H VAL A 76 -4.563 -0.632 1.367 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.904 1.681 0.618 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.692 0.013 -0.180 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.218 -0.888 -1.944 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.883 0.830 -1.618 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -4.794 -0.426 -0.982 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -7.046 -2.362 -0.153 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.651 -1.966 0.878 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -7.306 -1.727 1.489 1.00 0.00 H new ATOM 1132 N ASN A 77 -7.342 0.097 3.137 1.00 0.00 N ATOM 1133 CA ASN A 77 -8.350 0.267 4.184 1.00 0.00 C ATOM 1134 C ASN A 77 -8.103 1.533 5.003 1.00 0.00 C ATOM 1135 O ASN A 77 -8.995 2.371 5.147 1.00 0.00 O ATOM 1136 CB ASN A 77 -8.384 -0.949 5.113 1.00 0.00 C ATOM 1137 CG ASN A 77 -9.010 -2.166 4.457 1.00 0.00 C ATOM 1138 OD1 ASN A 77 -10.111 -2.092 3.910 1.00 0.00 O ATOM 1139 ND2 ASN A 77 -8.322 -3.299 4.526 1.00 0.00 N ATOM 0 H ASN A 77 -6.774 -0.746 3.223 1.00 0.00 H new ATOM 0 HA ASN A 77 -9.315 0.363 3.686 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -7.368 -1.191 5.426 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -8.944 -0.698 6.014 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -8.702 -4.152 4.116 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -7.413 -3.316 4.989 1.00 0.00 H new ATOM 1146 N LYS A 78 -6.897 1.666 5.544 1.00 0.00 N ATOM 1147 CA LYS A 78 -6.542 2.825 6.355 1.00 0.00 C ATOM 1148 C LYS A 78 -6.433 4.089 5.510 1.00 0.00 C ATOM 1149 O LYS A 78 -6.862 5.165 5.928 1.00 0.00 O ATOM 1150 CB LYS A 78 -5.224 2.564 7.075 1.00 0.00 C ATOM 1151 CG LYS A 78 -5.312 1.439 8.095 1.00 0.00 C ATOM 1152 CD LYS A 78 -3.971 1.170 8.757 1.00 0.00 C ATOM 1153 CE LYS A 78 -4.097 0.150 9.877 1.00 0.00 C ATOM 1154 NZ LYS A 78 -4.657 -1.145 9.396 1.00 0.00 N ATOM 0 H LYS A 78 -6.147 0.984 5.435 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.335 2.982 7.086 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.458 2.320 6.339 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.905 3.477 7.577 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.048 1.696 8.857 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.664 0.531 7.605 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.262 0.808 8.012 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -3.567 2.101 9.155 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.117 -0.022 10.322 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -4.737 0.552 10.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -5.542 -1.350 9.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.849 -1.083 8.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.972 -1.907 9.573 1.00 0.00 H new ATOM 1168 N ALA A 79 -5.844 3.958 4.329 1.00 0.00 N ATOM 1169 CA ALA A 79 -5.666 5.099 3.436 1.00 0.00 C ATOM 1170 C ALA A 79 -7.002 5.620 2.911 1.00 0.00 C ATOM 1171 O ALA A 79 -7.143 6.810 2.634 1.00 0.00 O ATOM 1172 CB ALA A 79 -4.759 4.724 2.274 1.00 0.00 C ATOM 0 H ALA A 79 -5.482 3.076 3.966 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.200 5.898 4.013 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.635 5.585 1.617 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.786 4.417 2.657 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -5.205 3.901 1.715 1.00 0.00 H new ATOM 1178 N GLY A 80 -7.980 4.730 2.780 1.00 0.00 N ATOM 1179 CA GLY A 80 -9.284 5.141 2.291 1.00 0.00 C ATOM 1180 C GLY A 80 -10.026 4.027 1.586 1.00 0.00 C ATOM 1181 O GLY A 80 -11.164 3.706 1.927 1.00 0.00 O ATOM 0 H GLY A 80 -7.895 3.738 3.002 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.884 5.498 3.128 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.162 5.980 1.606 1.00 0.00 H new ATOM 1185 N LEU A 81 -9.373 3.447 0.591 1.00 0.00 N ATOM 1186 CA LEU A 81 -9.956 2.370 -0.195 1.00 0.00 C ATOM 1187 C LEU A 81 -10.080 1.093 0.631 1.00 0.00 C ATOM 1188 O LEU A 81 -10.266 1.200 1.861 1.00 0.00 O ATOM 1189 CB LEU A 81 -9.091 2.127 -1.427 1.00 0.00 C ATOM 1190 CG LEU A 81 -8.746 3.392 -2.215 1.00 0.00 C ATOM 1191 CD1 LEU A 81 -7.618 3.119 -3.197 1.00 0.00 C ATOM 1192 CD2 LEU A 81 -9.975 3.911 -2.947 1.00 0.00 C ATOM 1193 OXT LEU A 81 -9.990 -0.004 0.041 1.00 0.00 O ATOM 0 H LEU A 81 -8.429 3.708 0.306 1.00 0.00 H new ATOM 0 HA LEU A 81 -10.960 2.660 -0.505 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.165 1.643 -1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.608 1.431 -2.088 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.412 4.156 -1.513 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.387 4.031 -3.748 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.733 2.790 -2.652 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -7.924 2.340 -3.896 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.714 4.811 -3.503 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.336 3.149 -3.638 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -10.757 4.145 -2.225 1.00 0.00 H new TER 1205 LEU A 81