USER MOD reduce.3.24.130724 H: found=0, std=0, add=733, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 731 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 34 THR OG1 : rot 150:sc= 1.33 USER MOD Set 1.2: A 57 GLN :FLIP amide:sc= -0.0782 F(o=0.4,f=1.2) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 47:sc= 0.356 USER MOD Single : A 3 SER OG : rot 13:sc= 1.23 USER MOD Single : A 5 SER OG : rot 11:sc= 0.58 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0368 USER MOD Single : A 13 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.315) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.225 X(o=-0.23,f=0) USER MOD Single : A 40 MET CE :methyl 172:sc= -0.331 (180deg=-0.379) USER MOD Single : A 41 MET CE :methyl 152:sc= -0.327 (180deg=-1.16) USER MOD Single : A 42 HIS : no HD1:sc= 0.0132 K(o=0.013,f=-1) USER MOD Single : A 48 LYS NZ :NH3+ 150:sc= 0.531 (180deg=0.0436) USER MOD Single : A 49 SER OG : rot -63:sc= 0.468 USER MOD Single : A 51 LYS NZ :NH3+ 135:sc= 0.0204 (180deg=0) USER MOD Single : A 53 ASN :FLIP amide:sc= -2.85! C(o=-4.6!,f=-2.8!) USER MOD Single : A 59 MET CE :methyl 166:sc= -2.99! (180deg=-3.28!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -4.42! C(o=-4.4!,f=-13!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.836 USER MOD Single : A 74 CYS SG : rot 72:sc= -0.5 USER MOD Single : A 75 GLN : amide:sc= -0.0062 K(o=-0.0062,f=-1.5!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0.753 K(o=0.75,f=-4.1!) USER MOD Single : A 84 GLN : amide:sc= -3.52! C(o=-3.5!,f=-6.2!) USER MOD Single : A 85 SER OG : rot 180:sc= 0.055 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN :FLIP amide:sc= -0.0431 F(o=-3.8!,f=-0.043) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.666 15.746 -17.416 1.00 0.00 N ATOM 2 CA GLY A 1 -4.764 16.161 -16.028 1.00 0.00 C ATOM 3 C GLY A 1 -5.795 15.362 -15.256 1.00 0.00 C ATOM 4 O GLY A 1 -5.578 14.191 -14.946 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.948 16.322 -17.901 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.393 14.743 -17.460 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.586 15.875 -17.883 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.791 16.051 -15.549 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.022 17.219 -15.986 1.00 0.00 H new ATOM 8 N SER A 2 -6.920 15.997 -14.943 1.00 0.00 N ATOM 9 CA SER A 2 -7.987 15.340 -14.197 1.00 0.00 C ATOM 10 C SER A 2 -8.166 13.897 -14.661 1.00 0.00 C ATOM 11 O SER A 2 -8.652 13.644 -15.763 1.00 0.00 O ATOM 12 CB SER A 2 -9.300 16.107 -14.361 1.00 0.00 C ATOM 13 OG SER A 2 -9.597 16.323 -15.730 1.00 0.00 O ATOM 0 H SER A 2 -7.116 16.966 -15.194 1.00 0.00 H new ATOM 0 HA SER A 2 -7.708 15.332 -13.143 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.111 15.549 -13.893 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.232 17.065 -13.845 1.00 0.00 H new ATOM 0 HG SER A 2 -9.482 15.486 -16.226 1.00 0.00 H new ATOM 19 N SER A 3 -7.768 12.955 -13.812 1.00 0.00 N ATOM 20 CA SER A 3 -7.880 11.538 -14.136 1.00 0.00 C ATOM 21 C SER A 3 -7.648 10.678 -12.897 1.00 0.00 C ATOM 22 O SER A 3 -6.748 10.945 -12.102 1.00 0.00 O ATOM 23 CB SER A 3 -6.876 11.161 -15.227 1.00 0.00 C ATOM 24 OG SER A 3 -7.321 11.594 -16.501 1.00 0.00 O ATOM 0 H SER A 3 -7.365 13.148 -12.895 1.00 0.00 H new ATOM 0 HA SER A 3 -8.890 11.353 -14.502 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.907 11.609 -15.005 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.733 10.080 -15.236 1.00 0.00 H new ATOM 0 HG SER A 3 -8.070 12.216 -16.392 1.00 0.00 H new ATOM 30 N GLY A 4 -8.468 9.643 -12.741 1.00 0.00 N ATOM 31 CA GLY A 4 -8.337 8.759 -11.597 1.00 0.00 C ATOM 32 C GLY A 4 -9.584 7.931 -11.359 1.00 0.00 C ATOM 33 O GLY A 4 -10.631 8.463 -10.991 1.00 0.00 O ATOM 0 H GLY A 4 -9.220 9.401 -13.386 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.487 8.094 -11.751 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.122 9.351 -10.707 1.00 0.00 H new ATOM 37 N SER A 5 -9.473 6.623 -11.571 1.00 0.00 N ATOM 38 CA SER A 5 -10.602 5.720 -11.383 1.00 0.00 C ATOM 39 C SER A 5 -10.121 4.309 -11.058 1.00 0.00 C ATOM 40 O SER A 5 -8.939 3.997 -11.199 1.00 0.00 O ATOM 41 CB SER A 5 -11.479 5.696 -12.637 1.00 0.00 C ATOM 42 OG SER A 5 -12.198 6.908 -12.779 1.00 0.00 O ATOM 0 H SER A 5 -8.613 6.166 -11.873 1.00 0.00 H new ATOM 0 HA SER A 5 -11.192 6.087 -10.543 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.857 5.533 -13.517 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.176 4.860 -12.581 1.00 0.00 H new ATOM 0 HG SER A 5 -11.853 7.569 -12.143 1.00 0.00 H new ATOM 48 N SER A 6 -11.047 3.460 -10.622 1.00 0.00 N ATOM 49 CA SER A 6 -10.717 2.083 -10.273 1.00 0.00 C ATOM 50 C SER A 6 -9.775 1.472 -11.306 1.00 0.00 C ATOM 51 O SER A 6 -10.207 1.021 -12.366 1.00 0.00 O ATOM 52 CB SER A 6 -11.992 1.243 -10.168 1.00 0.00 C ATOM 53 OG SER A 6 -13.024 1.963 -9.517 1.00 0.00 O ATOM 0 H SER A 6 -12.031 3.702 -10.502 1.00 0.00 H new ATOM 0 HA SER A 6 -10.213 2.089 -9.306 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.322 0.950 -11.165 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.782 0.325 -9.619 1.00 0.00 H new ATOM 0 HG SER A 6 -13.828 1.406 -9.464 1.00 0.00 H new ATOM 59 N GLY A 7 -8.485 1.460 -10.987 1.00 0.00 N ATOM 60 CA GLY A 7 -7.501 0.902 -11.896 1.00 0.00 C ATOM 61 C GLY A 7 -6.083 1.055 -11.381 1.00 0.00 C ATOM 62 O GLY A 7 -5.858 1.117 -10.172 1.00 0.00 O ATOM 0 H GLY A 7 -8.103 1.827 -10.115 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.715 -0.155 -12.054 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.587 1.393 -12.865 1.00 0.00 H new ATOM 66 N ASP A 8 -5.125 1.114 -12.299 1.00 0.00 N ATOM 67 CA ASP A 8 -3.721 1.260 -11.932 1.00 0.00 C ATOM 68 C ASP A 8 -3.470 2.611 -11.271 1.00 0.00 C ATOM 69 O ASP A 8 -3.642 3.660 -11.893 1.00 0.00 O ATOM 70 CB ASP A 8 -2.831 1.108 -13.165 1.00 0.00 C ATOM 71 CG ASP A 8 -3.351 0.060 -14.130 1.00 0.00 C ATOM 72 OD1 ASP A 8 -3.934 -0.940 -13.661 1.00 0.00 O ATOM 73 OD2 ASP A 8 -3.173 0.238 -15.353 1.00 0.00 O ATOM 0 H ASP A 8 -5.295 1.063 -13.303 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.474 0.475 -11.217 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.760 2.067 -13.678 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.823 0.839 -12.850 1.00 0.00 H new ATOM 78 N VAL A 9 -3.063 2.580 -10.006 1.00 0.00 N ATOM 79 CA VAL A 9 -2.789 3.802 -9.260 1.00 0.00 C ATOM 80 C VAL A 9 -1.292 3.983 -9.035 1.00 0.00 C ATOM 81 O VAL A 9 -0.548 3.009 -8.914 1.00 0.00 O ATOM 82 CB VAL A 9 -3.505 3.801 -7.897 1.00 0.00 C ATOM 83 CG1 VAL A 9 -2.903 4.851 -6.976 1.00 0.00 C ATOM 84 CG2 VAL A 9 -4.998 4.033 -8.080 1.00 0.00 C ATOM 0 H VAL A 9 -2.916 1.721 -9.476 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.167 4.630 -9.859 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.366 2.824 -7.434 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.422 4.835 -6.018 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.846 4.635 -6.820 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.009 5.836 -7.430 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.489 4.029 -7.107 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.160 4.996 -8.564 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.416 3.240 -8.700 1.00 0.00 H new ATOM 94 N PHE A 10 -0.855 5.237 -8.978 1.00 0.00 N ATOM 95 CA PHE A 10 0.554 5.547 -8.768 1.00 0.00 C ATOM 96 C PHE A 10 0.725 6.570 -7.648 1.00 0.00 C ATOM 97 O PHE A 10 0.379 7.741 -7.805 1.00 0.00 O ATOM 98 CB PHE A 10 1.179 6.080 -10.059 1.00 0.00 C ATOM 99 CG PHE A 10 1.425 5.015 -11.089 1.00 0.00 C ATOM 100 CD1 PHE A 10 2.587 4.261 -11.062 1.00 0.00 C ATOM 101 CD2 PHE A 10 0.494 4.767 -12.085 1.00 0.00 C ATOM 102 CE1 PHE A 10 2.816 3.281 -12.009 1.00 0.00 C ATOM 103 CE2 PHE A 10 0.717 3.788 -13.035 1.00 0.00 C ATOM 104 CZ PHE A 10 1.879 3.043 -12.996 1.00 0.00 C ATOM 0 H PHE A 10 -1.457 6.055 -9.074 1.00 0.00 H new ATOM 0 HA PHE A 10 1.063 4.628 -8.478 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.524 6.841 -10.484 1.00 0.00 H new ATOM 0 HB3 PHE A 10 2.123 6.569 -9.821 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.322 4.441 -10.292 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.417 5.346 -12.119 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.727 2.702 -11.978 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.016 3.606 -13.807 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.055 2.276 -13.736 1.00 0.00 H new ATOM 114 N ILE A 11 1.259 6.117 -6.519 1.00 0.00 N ATOM 115 CA ILE A 11 1.476 6.992 -5.373 1.00 0.00 C ATOM 116 C ILE A 11 2.889 7.564 -5.378 1.00 0.00 C ATOM 117 O ILE A 11 3.861 6.844 -5.151 1.00 0.00 O ATOM 118 CB ILE A 11 1.239 6.249 -4.045 1.00 0.00 C ATOM 119 CG1 ILE A 11 -0.207 5.758 -3.960 1.00 0.00 C ATOM 120 CG2 ILE A 11 1.567 7.153 -2.866 1.00 0.00 C ATOM 121 CD1 ILE A 11 -1.222 6.877 -3.886 1.00 0.00 C ATOM 0 H ILE A 11 1.549 5.150 -6.373 1.00 0.00 H new ATOM 0 HA ILE A 11 0.757 7.807 -5.457 1.00 0.00 H new ATOM 0 HB ILE A 11 1.899 5.383 -4.009 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.424 5.139 -4.831 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.315 5.122 -3.082 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.394 6.613 -1.935 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.612 7.457 -2.921 1.00 0.00 H new ATOM 0 HG23 ILE A 11 0.930 8.037 -2.897 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.225 6.455 -3.828 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.031 7.483 -3.000 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.142 7.500 -4.776 1.00 0.00 H new ATOM 133 N GLU A 12 2.995 8.864 -5.636 1.00 0.00 N ATOM 134 CA GLU A 12 4.291 9.532 -5.669 1.00 0.00 C ATOM 135 C GLU A 12 4.646 10.098 -4.297 1.00 0.00 C ATOM 136 O GLU A 12 3.998 11.024 -3.807 1.00 0.00 O ATOM 137 CB GLU A 12 4.284 10.654 -6.709 1.00 0.00 C ATOM 138 CG GLU A 12 4.427 10.160 -8.138 1.00 0.00 C ATOM 139 CD GLU A 12 5.073 11.186 -9.049 1.00 0.00 C ATOM 140 OE1 GLU A 12 4.656 12.362 -9.006 1.00 0.00 O ATOM 141 OE2 GLU A 12 5.995 10.813 -9.804 1.00 0.00 O ATOM 0 H GLU A 12 2.200 9.475 -5.825 1.00 0.00 H new ATOM 0 HA GLU A 12 5.045 8.795 -5.945 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.354 11.216 -6.619 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.097 11.346 -6.490 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.023 9.247 -8.145 1.00 0.00 H new ATOM 0 HG3 GLU A 12 3.443 9.901 -8.529 1.00 0.00 H new ATOM 148 N LYS A 13 5.679 9.534 -3.680 1.00 0.00 N ATOM 149 CA LYS A 13 6.123 9.981 -2.365 1.00 0.00 C ATOM 150 C LYS A 13 7.645 10.068 -2.305 1.00 0.00 C ATOM 151 O LYS A 13 8.327 9.866 -3.309 1.00 0.00 O ATOM 152 CB LYS A 13 5.613 9.029 -1.281 1.00 0.00 C ATOM 153 CG LYS A 13 6.339 7.695 -1.252 1.00 0.00 C ATOM 154 CD LYS A 13 6.329 7.085 0.139 1.00 0.00 C ATOM 155 CE LYS A 13 6.494 5.574 0.086 1.00 0.00 C ATOM 156 NZ LYS A 13 5.182 4.876 -0.011 1.00 0.00 N ATOM 0 H LYS A 13 6.225 8.766 -4.070 1.00 0.00 H new ATOM 0 HA LYS A 13 5.713 10.975 -2.189 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.716 9.510 -0.309 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.549 8.851 -1.437 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.868 7.008 -1.955 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.369 7.833 -1.582 1.00 0.00 H new ATOM 0 HD2 LYS A 13 7.133 7.519 0.734 1.00 0.00 H new ATOM 0 HD3 LYS A 13 5.393 7.333 0.639 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.112 5.306 -0.771 1.00 0.00 H new ATOM 0 HE3 LYS A 13 7.021 5.235 0.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.329 3.908 -0.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 4.738 4.839 0.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 4.562 5.392 -0.667 1.00 0.00 H new ATOM 170 N GLN A 14 8.170 10.367 -1.121 1.00 0.00 N ATOM 171 CA GLN A 14 9.611 10.479 -0.931 1.00 0.00 C ATOM 172 C GLN A 14 10.150 9.290 -0.143 1.00 0.00 C ATOM 173 O GLN A 14 9.497 8.793 0.775 1.00 0.00 O ATOM 174 CB GLN A 14 9.951 11.783 -0.208 1.00 0.00 C ATOM 175 CG GLN A 14 9.831 13.017 -1.088 1.00 0.00 C ATOM 176 CD GLN A 14 10.390 14.262 -0.428 1.00 0.00 C ATOM 177 OE1 GLN A 14 10.236 14.462 0.778 1.00 0.00 O ATOM 178 NE2 GLN A 14 11.045 15.106 -1.215 1.00 0.00 N ATOM 0 H GLN A 14 7.619 10.536 -0.279 1.00 0.00 H new ATOM 0 HA GLN A 14 10.083 10.483 -1.914 1.00 0.00 H new ATOM 0 HB2 GLN A 14 9.290 11.895 0.652 1.00 0.00 H new ATOM 0 HB3 GLN A 14 10.968 11.720 0.178 1.00 0.00 H new ATOM 0 HG2 GLN A 14 10.356 12.841 -2.027 1.00 0.00 H new ATOM 0 HG3 GLN A 14 8.782 13.181 -1.335 1.00 0.00 H new ATOM 0 HE21 GLN A 14 11.149 14.901 -2.209 1.00 0.00 H new ATOM 0 HE22 GLN A 14 11.445 15.960 -0.826 1.00 0.00 H new ATOM 187 N LYS A 15 11.346 8.839 -0.506 1.00 0.00 N ATOM 188 CA LYS A 15 11.975 7.709 0.167 1.00 0.00 C ATOM 189 C LYS A 15 12.136 7.985 1.658 1.00 0.00 C ATOM 190 O LYS A 15 12.163 9.138 2.086 1.00 0.00 O ATOM 191 CB LYS A 15 13.339 7.411 -0.458 1.00 0.00 C ATOM 192 CG LYS A 15 13.257 6.923 -1.894 1.00 0.00 C ATOM 193 CD LYS A 15 14.542 7.205 -2.654 1.00 0.00 C ATOM 194 CE LYS A 15 14.535 6.547 -4.025 1.00 0.00 C ATOM 195 NZ LYS A 15 15.879 6.586 -4.666 1.00 0.00 N ATOM 0 H LYS A 15 11.900 9.239 -1.263 1.00 0.00 H new ATOM 0 HA LYS A 15 11.329 6.840 0.044 1.00 0.00 H new ATOM 0 HB2 LYS A 15 13.950 8.313 -0.424 1.00 0.00 H new ATOM 0 HB3 LYS A 15 13.848 6.659 0.144 1.00 0.00 H new ATOM 0 HG2 LYS A 15 13.055 5.852 -1.904 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.422 7.410 -2.397 1.00 0.00 H new ATOM 0 HD2 LYS A 15 14.670 8.282 -2.767 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.393 6.841 -2.079 1.00 0.00 H new ATOM 0 HE2 LYS A 15 14.208 5.512 -3.929 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.812 7.051 -4.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 15.832 6.128 -5.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 16.180 7.575 -4.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 16.564 6.083 -4.067 1.00 0.00 H new ATOM 209 N GLY A 16 12.245 6.919 2.445 1.00 0.00 N ATOM 210 CA GLY A 16 12.404 7.069 3.880 1.00 0.00 C ATOM 211 C GLY A 16 11.082 7.279 4.591 1.00 0.00 C ATOM 212 O GLY A 16 10.939 6.931 5.762 1.00 0.00 O ATOM 0 H GLY A 16 12.226 5.954 2.115 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.893 6.182 4.283 1.00 0.00 H new ATOM 0 HA3 GLY A 16 13.061 7.915 4.083 1.00 0.00 H new ATOM 216 N GLU A 17 10.115 7.853 3.882 1.00 0.00 N ATOM 217 CA GLU A 17 8.799 8.112 4.454 1.00 0.00 C ATOM 218 C GLU A 17 7.844 6.957 4.167 1.00 0.00 C ATOM 219 O GLU A 17 8.068 6.166 3.250 1.00 0.00 O ATOM 220 CB GLU A 17 8.223 9.415 3.897 1.00 0.00 C ATOM 221 CG GLU A 17 9.274 10.479 3.627 1.00 0.00 C ATOM 222 CD GLU A 17 9.752 11.162 4.894 1.00 0.00 C ATOM 223 OE1 GLU A 17 8.965 11.233 5.862 1.00 0.00 O ATOM 224 OE2 GLU A 17 10.911 11.625 4.918 1.00 0.00 O ATOM 0 H GLU A 17 10.218 8.147 2.911 1.00 0.00 H new ATOM 0 HA GLU A 17 8.913 8.207 5.534 1.00 0.00 H new ATOM 0 HB2 GLU A 17 7.690 9.200 2.971 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.491 9.810 4.602 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.125 10.023 3.121 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.863 11.227 2.949 1.00 0.00 H new ATOM 231 N ILE A 18 6.780 6.867 4.957 1.00 0.00 N ATOM 232 CA ILE A 18 5.791 5.810 4.788 1.00 0.00 C ATOM 233 C ILE A 18 4.684 6.240 3.831 1.00 0.00 C ATOM 234 O ILE A 18 4.606 7.405 3.439 1.00 0.00 O ATOM 235 CB ILE A 18 5.162 5.406 6.135 1.00 0.00 C ATOM 236 CG1 ILE A 18 4.511 6.620 6.802 1.00 0.00 C ATOM 237 CG2 ILE A 18 6.213 4.793 7.048 1.00 0.00 C ATOM 238 CD1 ILE A 18 3.427 6.255 7.792 1.00 0.00 C ATOM 0 H ILE A 18 6.581 7.513 5.721 1.00 0.00 H new ATOM 0 HA ILE A 18 6.316 4.951 4.370 1.00 0.00 H new ATOM 0 HB ILE A 18 4.390 4.659 5.950 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.280 7.199 7.314 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.087 7.264 6.032 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.753 4.513 7.996 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.635 3.907 6.574 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.005 5.519 7.230 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.010 7.164 8.226 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.639 5.702 7.281 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.850 5.636 8.583 1.00 0.00 H new ATOM 250 N LEU A 19 3.829 5.294 3.461 1.00 0.00 N ATOM 251 CA LEU A 19 2.723 5.576 2.551 1.00 0.00 C ATOM 252 C LEU A 19 1.654 6.419 3.238 1.00 0.00 C ATOM 253 O LEU A 19 0.640 6.766 2.634 1.00 0.00 O ATOM 254 CB LEU A 19 2.110 4.270 2.043 1.00 0.00 C ATOM 255 CG LEU A 19 1.036 4.408 0.963 1.00 0.00 C ATOM 256 CD1 LEU A 19 1.497 5.359 -0.130 1.00 0.00 C ATOM 257 CD2 LEU A 19 0.690 3.047 0.378 1.00 0.00 C ATOM 0 H LEU A 19 3.879 4.325 3.776 1.00 0.00 H new ATOM 0 HA LEU A 19 3.116 6.140 1.705 1.00 0.00 H new ATOM 0 HB2 LEU A 19 2.912 3.644 1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.677 3.741 2.892 1.00 0.00 H new ATOM 0 HG LEU A 19 0.138 4.823 1.421 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.720 5.445 -0.889 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.693 6.341 0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.409 4.974 -0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.076 3.165 -0.389 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.582 2.604 -0.065 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.315 2.396 1.168 1.00 0.00 H new ATOM 269 N GLY A 20 1.890 6.748 4.504 1.00 0.00 N ATOM 270 CA GLY A 20 0.939 7.550 5.252 1.00 0.00 C ATOM 271 C GLY A 20 -0.496 7.128 5.006 1.00 0.00 C ATOM 272 O GLY A 20 -1.355 7.961 4.716 1.00 0.00 O ATOM 0 H GLY A 20 2.723 6.474 5.025 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.160 7.471 6.316 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.058 8.598 4.978 1.00 0.00 H new ATOM 276 N VAL A 21 -0.756 5.829 5.120 1.00 0.00 N ATOM 277 CA VAL A 21 -2.097 5.297 4.907 1.00 0.00 C ATOM 278 C VAL A 21 -2.316 4.021 5.712 1.00 0.00 C ATOM 279 O VAL A 21 -1.410 3.199 5.852 1.00 0.00 O ATOM 280 CB VAL A 21 -2.354 5.002 3.417 1.00 0.00 C ATOM 281 CG1 VAL A 21 -1.757 3.658 3.029 1.00 0.00 C ATOM 282 CG2 VAL A 21 -3.845 5.039 3.117 1.00 0.00 C ATOM 0 H VAL A 21 -0.056 5.126 5.358 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.798 6.061 5.244 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.867 5.774 2.821 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -1.948 3.466 1.973 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.682 3.673 3.206 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.213 2.871 3.629 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.009 4.829 2.060 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -4.356 4.288 3.720 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.240 6.027 3.356 1.00 0.00 H new ATOM 292 N VAL A 22 -3.525 3.861 6.240 1.00 0.00 N ATOM 293 CA VAL A 22 -3.865 2.684 7.030 1.00 0.00 C ATOM 294 C VAL A 22 -4.829 1.775 6.276 1.00 0.00 C ATOM 295 O VAL A 22 -5.772 2.246 5.640 1.00 0.00 O ATOM 296 CB VAL A 22 -4.495 3.076 8.379 1.00 0.00 C ATOM 297 CG1 VAL A 22 -4.794 1.837 9.210 1.00 0.00 C ATOM 298 CG2 VAL A 22 -3.583 4.029 9.137 1.00 0.00 C ATOM 0 H VAL A 22 -4.286 4.532 6.135 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.934 2.148 7.215 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.437 3.589 8.184 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.239 2.134 10.160 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.489 1.195 8.669 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.868 1.293 9.398 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -4.045 4.295 10.088 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.624 3.545 9.322 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.426 4.931 8.545 1.00 0.00 H new ATOM 308 N ILE A 23 -4.586 0.471 6.352 1.00 0.00 N ATOM 309 CA ILE A 23 -5.434 -0.504 5.677 1.00 0.00 C ATOM 310 C ILE A 23 -6.061 -1.471 6.676 1.00 0.00 C ATOM 311 O ILE A 23 -5.550 -1.659 7.780 1.00 0.00 O ATOM 312 CB ILE A 23 -4.643 -1.309 4.629 1.00 0.00 C ATOM 313 CG1 ILE A 23 -3.400 -1.934 5.266 1.00 0.00 C ATOM 314 CG2 ILE A 23 -4.253 -0.417 3.460 1.00 0.00 C ATOM 315 CD1 ILE A 23 -2.980 -3.236 4.621 1.00 0.00 C ATOM 0 H ILE A 23 -3.809 0.065 6.874 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.221 0.057 5.174 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.278 -2.111 4.253 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.575 -1.225 5.205 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.593 -2.108 6.325 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.695 -1.000 2.728 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.152 -0.014 2.994 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.632 0.404 3.820 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.093 -3.621 5.123 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.789 -3.962 4.706 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -2.755 -3.065 3.568 1.00 0.00 H new ATOM 327 N VAL A 24 -7.173 -2.083 6.280 1.00 0.00 N ATOM 328 CA VAL A 24 -7.870 -3.033 7.139 1.00 0.00 C ATOM 329 C VAL A 24 -8.460 -4.179 6.326 1.00 0.00 C ATOM 330 O VAL A 24 -8.608 -4.077 5.108 1.00 0.00 O ATOM 331 CB VAL A 24 -8.998 -2.348 7.934 1.00 0.00 C ATOM 332 CG1 VAL A 24 -8.419 -1.401 8.974 1.00 0.00 C ATOM 333 CG2 VAL A 24 -9.939 -1.611 6.994 1.00 0.00 C ATOM 0 H VAL A 24 -7.610 -1.938 5.370 1.00 0.00 H new ATOM 0 HA VAL A 24 -7.132 -3.429 7.837 1.00 0.00 H new ATOM 0 HB VAL A 24 -9.570 -3.115 8.456 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -9.230 -0.926 9.526 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -7.789 -1.961 9.665 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -7.822 -0.636 8.477 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -10.730 -1.133 7.572 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -9.383 -0.852 6.443 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -10.380 -2.319 6.292 1.00 0.00 H new ATOM 343 N GLU A 25 -8.796 -5.270 7.007 1.00 0.00 N ATOM 344 CA GLU A 25 -9.370 -6.436 6.346 1.00 0.00 C ATOM 345 C GLU A 25 -10.572 -6.041 5.493 1.00 0.00 C ATOM 346 O GLU A 25 -11.442 -5.293 5.936 1.00 0.00 O ATOM 347 CB GLU A 25 -9.788 -7.483 7.382 1.00 0.00 C ATOM 348 CG GLU A 25 -8.618 -8.238 7.989 1.00 0.00 C ATOM 349 CD GLU A 25 -9.062 -9.349 8.921 1.00 0.00 C ATOM 350 OE1 GLU A 25 -10.057 -9.152 9.649 1.00 0.00 O ATOM 351 OE2 GLU A 25 -8.413 -10.417 8.922 1.00 0.00 O ATOM 0 H GLU A 25 -8.681 -5.371 8.015 1.00 0.00 H new ATOM 0 HA GLU A 25 -8.608 -6.864 5.694 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.345 -6.991 8.179 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -10.466 -8.196 6.913 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.009 -8.661 7.190 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -7.985 -7.540 8.537 1.00 0.00 H new ATOM 358 N SER A 26 -10.611 -6.550 4.265 1.00 0.00 N ATOM 359 CA SER A 26 -11.702 -6.247 3.347 1.00 0.00 C ATOM 360 C SER A 26 -12.942 -7.070 3.687 1.00 0.00 C ATOM 361 O SER A 26 -13.578 -7.648 2.806 1.00 0.00 O ATOM 362 CB SER A 26 -11.274 -6.521 1.904 1.00 0.00 C ATOM 363 OG SER A 26 -11.942 -5.657 1.001 1.00 0.00 O ATOM 0 H SER A 26 -9.900 -7.174 3.884 1.00 0.00 H new ATOM 0 HA SER A 26 -11.948 -5.190 3.451 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.196 -6.388 1.810 1.00 0.00 H new ATOM 0 HB3 SER A 26 -11.491 -7.558 1.648 1.00 0.00 H new ATOM 0 HG SER A 26 -11.650 -5.851 0.086 1.00 0.00 H new ATOM 369 N GLY A 27 -13.279 -7.118 4.972 1.00 0.00 N ATOM 370 CA GLY A 27 -14.440 -7.872 5.407 1.00 0.00 C ATOM 371 C GLY A 27 -14.603 -9.174 4.648 1.00 0.00 C ATOM 372 O GLY A 27 -15.282 -9.222 3.623 1.00 0.00 O ATOM 0 H GLY A 27 -12.769 -6.648 5.720 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -14.353 -8.085 6.473 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -15.335 -7.264 5.275 1.00 0.00 H new ATOM 376 N TRP A 28 -13.977 -10.232 5.151 1.00 0.00 N ATOM 377 CA TRP A 28 -14.055 -11.541 4.513 1.00 0.00 C ATOM 378 C TRP A 28 -15.467 -11.817 4.007 1.00 0.00 C ATOM 379 O TRP A 28 -16.330 -12.264 4.761 1.00 0.00 O ATOM 380 CB TRP A 28 -13.628 -12.636 5.492 1.00 0.00 C ATOM 381 CG TRP A 28 -12.150 -12.668 5.738 1.00 0.00 C ATOM 382 CD1 TRP A 28 -11.412 -11.744 6.422 1.00 0.00 C ATOM 383 CD2 TRP A 28 -11.230 -13.675 5.301 1.00 0.00 C ATOM 384 NE1 TRP A 28 -10.089 -12.116 6.436 1.00 0.00 N ATOM 385 CE2 TRP A 28 -9.952 -13.297 5.756 1.00 0.00 C ATOM 386 CE3 TRP A 28 -11.363 -14.859 4.571 1.00 0.00 C ATOM 387 CZ2 TRP A 28 -8.816 -14.061 5.503 1.00 0.00 C ATOM 388 CZ3 TRP A 28 -10.234 -15.617 4.320 1.00 0.00 C ATOM 389 CH2 TRP A 28 -8.975 -15.216 4.786 1.00 0.00 C ATOM 0 H TRP A 28 -13.410 -10.209 5.999 1.00 0.00 H new ATOM 0 HA TRP A 28 -13.376 -11.542 3.660 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -14.144 -12.487 6.440 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -13.946 -13.604 5.105 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -11.810 -10.852 6.884 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -9.332 -11.597 6.881 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -12.330 -15.176 4.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -7.844 -13.753 5.860 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -10.324 -16.533 3.755 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -8.112 -15.831 4.575 1.00 0.00 H new ATOM 400 N GLY A 29 -15.695 -11.548 2.725 1.00 0.00 N ATOM 401 CA GLY A 29 -17.005 -11.774 2.142 1.00 0.00 C ATOM 402 C GLY A 29 -17.114 -11.227 0.732 1.00 0.00 C ATOM 403 O GLY A 29 -17.828 -11.782 -0.103 1.00 0.00 O ATOM 0 H GLY A 29 -14.997 -11.178 2.080 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -17.215 -12.844 2.131 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -17.764 -11.307 2.769 1.00 0.00 H new ATOM 407 N SER A 30 -16.404 -10.135 0.466 1.00 0.00 N ATOM 408 CA SER A 30 -16.429 -9.509 -0.851 1.00 0.00 C ATOM 409 C SER A 30 -15.752 -10.400 -1.888 1.00 0.00 C ATOM 410 O SER A 30 -15.022 -11.330 -1.542 1.00 0.00 O ATOM 411 CB SER A 30 -15.737 -8.145 -0.804 1.00 0.00 C ATOM 412 OG SER A 30 -14.353 -8.265 -1.082 1.00 0.00 O ATOM 0 H SER A 30 -15.805 -9.666 1.145 1.00 0.00 H new ATOM 0 HA SER A 30 -17.471 -9.370 -1.141 1.00 0.00 H new ATOM 0 HB2 SER A 30 -16.200 -7.474 -1.528 1.00 0.00 H new ATOM 0 HB3 SER A 30 -15.876 -7.697 0.180 1.00 0.00 H new ATOM 0 HG SER A 30 -13.934 -7.380 -1.047 1.00 0.00 H new ATOM 418 N ILE A 31 -15.999 -10.108 -3.160 1.00 0.00 N ATOM 419 CA ILE A 31 -15.413 -10.882 -4.248 1.00 0.00 C ATOM 420 C ILE A 31 -13.976 -11.280 -3.928 1.00 0.00 C ATOM 421 O ILE A 31 -13.679 -12.455 -3.712 1.00 0.00 O ATOM 422 CB ILE A 31 -15.433 -10.095 -5.572 1.00 0.00 C ATOM 423 CG1 ILE A 31 -16.699 -9.242 -5.665 1.00 0.00 C ATOM 424 CG2 ILE A 31 -15.341 -11.047 -6.755 1.00 0.00 C ATOM 425 CD1 ILE A 31 -16.532 -7.848 -5.102 1.00 0.00 C ATOM 0 H ILE A 31 -16.600 -9.342 -3.463 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.020 -11.781 -4.359 1.00 0.00 H new ATOM 0 HB ILE A 31 -14.569 -9.432 -5.596 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -17.002 -9.169 -6.709 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -17.506 -9.745 -5.133 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -15.356 -10.476 -7.683 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -14.413 -11.615 -6.694 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -16.188 -11.733 -6.737 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -17.469 -7.301 -5.202 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -16.259 -7.911 -4.049 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -15.747 -7.326 -5.649 1.00 0.00 H new ATOM 437 N LEU A 32 -13.087 -10.292 -3.897 1.00 0.00 N ATOM 438 CA LEU A 32 -11.680 -10.539 -3.600 1.00 0.00 C ATOM 439 C LEU A 32 -11.259 -9.820 -2.322 1.00 0.00 C ATOM 440 O LEU A 32 -10.838 -8.664 -2.341 1.00 0.00 O ATOM 441 CB LEU A 32 -10.805 -10.080 -4.768 1.00 0.00 C ATOM 442 CG LEU A 32 -10.743 -11.023 -5.971 1.00 0.00 C ATOM 443 CD1 LEU A 32 -10.447 -12.445 -5.519 1.00 0.00 C ATOM 444 CD2 LEU A 32 -12.045 -10.971 -6.757 1.00 0.00 C ATOM 0 H LEU A 32 -13.316 -9.314 -4.074 1.00 0.00 H new ATOM 0 HA LEU A 32 -11.547 -11.611 -3.453 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -11.169 -9.111 -5.110 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.791 -9.928 -4.398 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.934 -10.695 -6.624 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.407 -13.102 -6.388 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.489 -12.470 -5.000 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.233 -12.784 -4.844 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.983 -11.648 -7.609 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.871 -11.273 -6.113 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.215 -9.955 -7.113 1.00 0.00 H new ATOM 456 N PRO A 33 -11.373 -10.522 -1.185 1.00 0.00 N ATOM 457 CA PRO A 33 -11.006 -9.972 0.124 1.00 0.00 C ATOM 458 C PRO A 33 -9.500 -9.786 0.274 1.00 0.00 C ATOM 459 O PRO A 33 -8.785 -10.710 0.663 1.00 0.00 O ATOM 460 CB PRO A 33 -11.515 -11.028 1.108 1.00 0.00 C ATOM 461 CG PRO A 33 -11.535 -12.296 0.326 1.00 0.00 C ATOM 462 CD PRO A 33 -11.867 -11.905 -1.088 1.00 0.00 C ATOM 0 HA PRO A 33 -11.431 -8.981 0.283 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -10.861 -11.108 1.976 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -12.508 -10.777 1.480 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -10.570 -12.800 0.375 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -12.277 -12.988 0.724 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -11.378 -12.558 -1.811 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -12.938 -11.963 -1.280 1.00 0.00 H new ATOM 470 N THR A 34 -9.023 -8.585 -0.038 1.00 0.00 N ATOM 471 CA THR A 34 -7.602 -8.278 0.062 1.00 0.00 C ATOM 472 C THR A 34 -7.332 -7.276 1.178 1.00 0.00 C ATOM 473 O THR A 34 -6.844 -7.639 2.248 1.00 0.00 O ATOM 474 CB THR A 34 -7.055 -7.713 -1.263 1.00 0.00 C ATOM 475 OG1 THR A 34 -7.774 -6.529 -1.624 1.00 0.00 O ATOM 476 CG2 THR A 34 -7.169 -8.742 -2.378 1.00 0.00 C ATOM 0 H THR A 34 -9.600 -7.809 -0.362 1.00 0.00 H new ATOM 0 HA THR A 34 -7.092 -9.215 0.288 1.00 0.00 H new ATOM 0 HB THR A 34 -6.002 -7.469 -1.122 1.00 0.00 H new ATOM 0 HG1 THR A 34 -7.185 -5.929 -2.127 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.777 -8.321 -3.304 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.597 -9.631 -2.113 1.00 0.00 H new ATOM 0 HG23 THR A 34 -8.216 -9.013 -2.518 1.00 0.00 H new ATOM 484 N VAL A 35 -7.653 -6.012 0.922 1.00 0.00 N ATOM 485 CA VAL A 35 -7.447 -4.956 1.907 1.00 0.00 C ATOM 486 C VAL A 35 -7.995 -3.624 1.407 1.00 0.00 C ATOM 487 O VAL A 35 -7.925 -3.320 0.216 1.00 0.00 O ATOM 488 CB VAL A 35 -5.955 -4.790 2.248 1.00 0.00 C ATOM 489 CG1 VAL A 35 -5.569 -5.689 3.413 1.00 0.00 C ATOM 490 CG2 VAL A 35 -5.094 -5.085 1.029 1.00 0.00 C ATOM 0 H VAL A 35 -8.057 -5.694 0.041 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.986 -5.252 2.807 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.782 -3.756 2.546 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.511 -5.557 3.639 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.163 -5.425 4.288 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.757 -6.729 3.147 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.042 -4.963 1.288 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.270 -6.109 0.699 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.352 -4.395 0.226 1.00 0.00 H new ATOM 500 N ILE A 36 -8.539 -2.832 2.325 1.00 0.00 N ATOM 501 CA ILE A 36 -9.097 -1.531 1.978 1.00 0.00 C ATOM 502 C ILE A 36 -8.577 -0.443 2.911 1.00 0.00 C ATOM 503 O ILE A 36 -8.222 -0.713 4.059 1.00 0.00 O ATOM 504 CB ILE A 36 -10.636 -1.546 2.032 1.00 0.00 C ATOM 505 CG1 ILE A 36 -11.116 -2.196 3.331 1.00 0.00 C ATOM 506 CG2 ILE A 36 -11.201 -2.281 0.826 1.00 0.00 C ATOM 507 CD1 ILE A 36 -12.609 -2.083 3.548 1.00 0.00 C ATOM 0 H ILE A 36 -8.605 -3.069 3.315 1.00 0.00 H new ATOM 0 HA ILE A 36 -8.780 -1.314 0.958 1.00 0.00 H new ATOM 0 HB ILE A 36 -10.996 -0.517 2.008 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -10.837 -3.250 3.325 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -10.599 -1.734 4.172 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -12.290 -2.283 0.878 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.883 -1.779 -0.088 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.836 -3.308 0.822 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.878 -2.566 4.488 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -12.893 -1.031 3.586 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -13.134 -2.571 2.727 1.00 0.00 H new ATOM 519 N ILE A 37 -8.536 0.787 2.412 1.00 0.00 N ATOM 520 CA ILE A 37 -8.062 1.917 3.202 1.00 0.00 C ATOM 521 C ILE A 37 -9.009 2.213 4.360 1.00 0.00 C ATOM 522 O ILE A 37 -10.186 2.504 4.154 1.00 0.00 O ATOM 523 CB ILE A 37 -7.912 3.184 2.339 1.00 0.00 C ATOM 524 CG1 ILE A 37 -7.213 2.849 1.020 1.00 0.00 C ATOM 525 CG2 ILE A 37 -7.140 4.253 3.098 1.00 0.00 C ATOM 526 CD1 ILE A 37 -8.168 2.471 -0.091 1.00 0.00 C ATOM 0 H ILE A 37 -8.825 1.027 1.464 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.085 1.639 3.597 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.905 3.572 2.113 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.622 3.708 0.703 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -6.517 2.027 1.186 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.042 5.142 2.475 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.675 4.508 4.013 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.149 3.876 3.350 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -7.603 2.247 -0.996 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -8.742 1.593 0.206 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -8.848 3.301 -0.284 1.00 0.00 H new ATOM 538 N ALA A 38 -8.485 2.137 5.579 1.00 0.00 N ATOM 539 CA ALA A 38 -9.282 2.401 6.771 1.00 0.00 C ATOM 540 C ALA A 38 -9.183 3.865 7.184 1.00 0.00 C ATOM 541 O ALA A 38 -10.116 4.420 7.763 1.00 0.00 O ATOM 542 CB ALA A 38 -8.840 1.497 7.912 1.00 0.00 C ATOM 0 H ALA A 38 -7.512 1.895 5.767 1.00 0.00 H new ATOM 0 HA ALA A 38 -10.325 2.187 6.536 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.443 1.705 8.796 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.969 0.454 7.621 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.790 1.683 8.138 1.00 0.00 H new ATOM 548 N ASN A 39 -8.046 4.484 6.884 1.00 0.00 N ATOM 549 CA ASN A 39 -7.825 5.885 7.227 1.00 0.00 C ATOM 550 C ASN A 39 -6.597 6.434 6.507 1.00 0.00 C ATOM 551 O ASN A 39 -5.666 5.692 6.193 1.00 0.00 O ATOM 552 CB ASN A 39 -7.656 6.041 8.739 1.00 0.00 C ATOM 553 CG ASN A 39 -8.108 7.401 9.234 1.00 0.00 C ATOM 554 OD1 ASN A 39 -9.215 7.549 9.752 1.00 0.00 O ATOM 555 ND2 ASN A 39 -7.251 8.403 9.078 1.00 0.00 N ATOM 0 H ASN A 39 -7.264 4.038 6.405 1.00 0.00 H new ATOM 0 HA ASN A 39 -8.697 6.454 6.905 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.227 5.264 9.248 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.609 5.891 9.002 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.500 9.341 9.393 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.344 8.235 8.643 1.00 0.00 H new ATOM 562 N MET A 40 -6.603 7.737 6.248 1.00 0.00 N ATOM 563 CA MET A 40 -5.488 8.386 5.567 1.00 0.00 C ATOM 564 C MET A 40 -4.833 9.429 6.467 1.00 0.00 C ATOM 565 O MET A 40 -5.518 10.198 7.141 1.00 0.00 O ATOM 566 CB MET A 40 -5.968 9.042 4.271 1.00 0.00 C ATOM 567 CG MET A 40 -6.111 8.068 3.113 1.00 0.00 C ATOM 568 SD MET A 40 -6.425 8.897 1.543 1.00 0.00 S ATOM 569 CE MET A 40 -8.088 8.334 1.190 1.00 0.00 C ATOM 0 H MET A 40 -7.367 8.365 6.499 1.00 0.00 H new ATOM 0 HA MET A 40 -4.747 7.623 5.328 1.00 0.00 H new ATOM 0 HB2 MET A 40 -6.929 9.523 4.451 1.00 0.00 H new ATOM 0 HB3 MET A 40 -5.267 9.828 3.990 1.00 0.00 H new ATOM 0 HG2 MET A 40 -5.202 7.473 3.030 1.00 0.00 H new ATOM 0 HG3 MET A 40 -6.927 7.376 3.324 1.00 0.00 H new ATOM 0 HE1 MET A 40 -8.478 8.870 0.325 1.00 0.00 H new ATOM 0 HE2 MET A 40 -8.073 7.265 0.978 1.00 0.00 H new ATOM 0 HE3 MET A 40 -8.727 8.524 2.052 1.00 0.00 H new ATOM 579 N MET A 41 -3.505 9.448 6.474 1.00 0.00 N ATOM 580 CA MET A 41 -2.758 10.397 7.291 1.00 0.00 C ATOM 581 C MET A 41 -3.052 11.832 6.862 1.00 0.00 C ATOM 582 O MET A 41 -3.287 12.102 5.684 1.00 0.00 O ATOM 583 CB MET A 41 -1.257 10.120 7.190 1.00 0.00 C ATOM 584 CG MET A 41 -0.433 10.847 8.241 1.00 0.00 C ATOM 585 SD MET A 41 -0.388 9.972 9.817 1.00 0.00 S ATOM 586 CE MET A 41 0.439 8.457 9.339 1.00 0.00 C ATOM 0 H MET A 41 -2.923 8.817 5.923 1.00 0.00 H new ATOM 0 HA MET A 41 -3.073 10.273 8.327 1.00 0.00 H new ATOM 0 HB2 MET A 41 -1.087 9.048 7.284 1.00 0.00 H new ATOM 0 HB3 MET A 41 -0.908 10.412 6.200 1.00 0.00 H new ATOM 0 HG2 MET A 41 0.585 10.977 7.873 1.00 0.00 H new ATOM 0 HG3 MET A 41 -0.846 11.844 8.395 1.00 0.00 H new ATOM 0 HE1 MET A 41 0.976 8.050 10.196 1.00 0.00 H new ATOM 0 HE2 MET A 41 -0.299 7.732 8.996 1.00 0.00 H new ATOM 0 HE3 MET A 41 1.144 8.666 8.534 1.00 0.00 H new ATOM 596 N HIS A 42 -3.037 12.747 7.826 1.00 0.00 N ATOM 597 CA HIS A 42 -3.301 14.155 7.548 1.00 0.00 C ATOM 598 C HIS A 42 -2.047 14.850 7.027 1.00 0.00 C ATOM 599 O HIS A 42 -1.432 15.650 7.730 1.00 0.00 O ATOM 600 CB HIS A 42 -3.803 14.860 8.808 1.00 0.00 C ATOM 601 CG HIS A 42 -4.875 14.103 9.531 1.00 0.00 C ATOM 602 ND1 HIS A 42 -4.613 13.020 10.343 1.00 0.00 N ATOM 603 CD2 HIS A 42 -6.216 14.280 9.562 1.00 0.00 C ATOM 604 CE1 HIS A 42 -5.748 12.562 10.841 1.00 0.00 C ATOM 605 NE2 HIS A 42 -6.736 13.309 10.383 1.00 0.00 N ATOM 0 H HIS A 42 -2.845 12.539 8.806 1.00 0.00 H new ATOM 0 HA HIS A 42 -4.072 14.210 6.779 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -2.963 15.020 9.484 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -4.185 15.844 8.536 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -6.774 15.043 9.039 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -5.850 11.720 11.509 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -7.724 13.185 10.603 1.00 0.00 H new ATOM 614 N GLY A 43 -1.674 14.539 5.789 1.00 0.00 N ATOM 615 CA GLY A 43 -0.495 15.142 5.196 1.00 0.00 C ATOM 616 C GLY A 43 0.445 14.113 4.599 1.00 0.00 C ATOM 617 O GLY A 43 1.597 14.418 4.293 1.00 0.00 O ATOM 0 H GLY A 43 -2.167 13.880 5.187 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.801 15.844 4.420 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.036 15.717 5.955 1.00 0.00 H new ATOM 621 N GLY A 44 -0.047 12.888 4.436 1.00 0.00 N ATOM 622 CA GLY A 44 0.771 11.829 3.875 1.00 0.00 C ATOM 623 C GLY A 44 0.742 11.815 2.359 1.00 0.00 C ATOM 624 O GLY A 44 0.093 12.645 1.722 1.00 0.00 O ATOM 0 H GLY A 44 -0.997 12.611 4.683 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.800 11.950 4.215 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.422 10.867 4.251 1.00 0.00 H new ATOM 628 N PRO A 45 1.461 10.855 1.758 1.00 0.00 N ATOM 629 CA PRO A 45 1.532 10.714 0.301 1.00 0.00 C ATOM 630 C PRO A 45 0.213 10.240 -0.300 1.00 0.00 C ATOM 631 O PRO A 45 -0.228 10.748 -1.331 1.00 0.00 O ATOM 632 CB PRO A 45 2.622 9.659 0.099 1.00 0.00 C ATOM 633 CG PRO A 45 2.620 8.867 1.361 1.00 0.00 C ATOM 634 CD PRO A 45 2.259 9.833 2.456 1.00 0.00 C ATOM 0 HA PRO A 45 1.743 11.664 -0.191 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.408 9.029 -0.764 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.593 10.122 -0.077 1.00 0.00 H new ATOM 0 HG2 PRO A 45 1.900 8.050 1.308 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.597 8.419 1.542 1.00 0.00 H new ATOM 0 HD2 PRO A 45 1.688 9.348 3.248 1.00 0.00 H new ATOM 0 HD3 PRO A 45 3.146 10.264 2.921 1.00 0.00 H new ATOM 642 N ALA A 46 -0.412 9.264 0.350 1.00 0.00 N ATOM 643 CA ALA A 46 -1.681 8.724 -0.119 1.00 0.00 C ATOM 644 C ALA A 46 -2.785 9.774 -0.050 1.00 0.00 C ATOM 645 O ALA A 46 -3.546 9.951 -1.000 1.00 0.00 O ATOM 646 CB ALA A 46 -2.066 7.497 0.694 1.00 0.00 C ATOM 0 H ALA A 46 -0.059 8.831 1.204 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.559 8.432 -1.162 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.016 7.104 0.332 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.295 6.734 0.589 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.163 7.772 1.744 1.00 0.00 H new ATOM 652 N GLU A 47 -2.865 10.467 1.082 1.00 0.00 N ATOM 653 CA GLU A 47 -3.878 11.499 1.274 1.00 0.00 C ATOM 654 C GLU A 47 -3.730 12.607 0.236 1.00 0.00 C ATOM 655 O GLU A 47 -4.717 13.187 -0.215 1.00 0.00 O ATOM 656 CB GLU A 47 -3.776 12.088 2.683 1.00 0.00 C ATOM 657 CG GLU A 47 -4.632 13.326 2.888 1.00 0.00 C ATOM 658 CD GLU A 47 -6.042 12.992 3.338 1.00 0.00 C ATOM 659 OE1 GLU A 47 -6.215 12.619 4.517 1.00 0.00 O ATOM 660 OE2 GLU A 47 -6.971 13.103 2.511 1.00 0.00 O ATOM 0 H GLU A 47 -2.242 10.333 1.878 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.858 11.038 1.150 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -4.071 11.329 3.407 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.735 12.338 2.889 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.161 13.970 3.630 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.676 13.891 1.957 1.00 0.00 H new ATOM 667 N LYS A 48 -2.488 12.896 -0.139 1.00 0.00 N ATOM 668 CA LYS A 48 -2.208 13.933 -1.125 1.00 0.00 C ATOM 669 C LYS A 48 -2.384 13.398 -2.543 1.00 0.00 C ATOM 670 O LYS A 48 -2.839 14.115 -3.435 1.00 0.00 O ATOM 671 CB LYS A 48 -0.786 14.468 -0.943 1.00 0.00 C ATOM 672 CG LYS A 48 -0.690 15.614 0.050 1.00 0.00 C ATOM 673 CD LYS A 48 0.755 16.000 0.317 1.00 0.00 C ATOM 674 CE LYS A 48 1.368 15.140 1.412 1.00 0.00 C ATOM 675 NZ LYS A 48 2.583 15.771 1.998 1.00 0.00 N ATOM 0 H LYS A 48 -1.659 12.426 0.225 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.918 14.746 -0.972 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.141 13.655 -0.610 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.406 14.802 -1.908 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.233 16.477 -0.335 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.170 15.327 0.986 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.336 15.894 -0.599 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.805 17.050 0.606 1.00 0.00 H new ATOM 0 HE2 LYS A 48 0.631 14.972 2.197 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.627 14.163 1.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.678 15.483 2.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.423 15.465 1.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.497 16.806 1.944 1.00 0.00 H new ATOM 689 N SER A 49 -2.021 12.135 -2.743 1.00 0.00 N ATOM 690 CA SER A 49 -2.136 11.506 -4.053 1.00 0.00 C ATOM 691 C SER A 49 -3.562 11.614 -4.584 1.00 0.00 C ATOM 692 O SER A 49 -3.779 11.932 -5.753 1.00 0.00 O ATOM 693 CB SER A 49 -1.720 10.036 -3.974 1.00 0.00 C ATOM 694 OG SER A 49 -2.809 9.217 -3.585 1.00 0.00 O ATOM 0 H SER A 49 -1.645 11.528 -2.015 1.00 0.00 H new ATOM 0 HA SER A 49 -1.470 12.029 -4.740 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.343 9.709 -4.943 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.904 9.924 -3.260 1.00 0.00 H new ATOM 0 HG SER A 49 -3.098 9.465 -2.682 1.00 0.00 H new ATOM 700 N GLY A 50 -4.533 11.347 -3.715 1.00 0.00 N ATOM 701 CA GLY A 50 -5.926 11.419 -4.114 1.00 0.00 C ATOM 702 C GLY A 50 -6.296 10.352 -5.125 1.00 0.00 C ATOM 703 O GLY A 50 -7.305 10.468 -5.821 1.00 0.00 O ATOM 0 H GLY A 50 -4.379 11.082 -2.742 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.559 11.315 -3.233 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.129 12.403 -4.538 1.00 0.00 H new ATOM 707 N LYS A 51 -5.478 9.308 -5.207 1.00 0.00 N ATOM 708 CA LYS A 51 -5.723 8.215 -6.140 1.00 0.00 C ATOM 709 C LYS A 51 -6.680 7.191 -5.539 1.00 0.00 C ATOM 710 O LYS A 51 -7.397 6.497 -6.261 1.00 0.00 O ATOM 711 CB LYS A 51 -4.405 7.535 -6.519 1.00 0.00 C ATOM 712 CG LYS A 51 -3.294 8.512 -6.864 1.00 0.00 C ATOM 713 CD LYS A 51 -3.291 8.852 -8.345 1.00 0.00 C ATOM 714 CE LYS A 51 -4.167 10.059 -8.641 1.00 0.00 C ATOM 715 NZ LYS A 51 -4.355 10.262 -10.104 1.00 0.00 N ATOM 0 H LYS A 51 -4.639 9.196 -4.638 1.00 0.00 H new ATOM 0 HA LYS A 51 -6.181 8.632 -7.037 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.080 6.905 -5.691 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.577 6.877 -7.371 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.416 9.424 -6.280 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.331 8.083 -6.586 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.271 9.053 -8.671 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.646 7.995 -8.917 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.139 9.928 -8.165 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -3.716 10.951 -8.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.357 10.460 -10.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -3.775 11.065 -10.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.065 9.403 -10.614 1.00 0.00 H new ATOM 729 N LEU A 52 -6.689 7.103 -4.213 1.00 0.00 N ATOM 730 CA LEU A 52 -7.561 6.165 -3.514 1.00 0.00 C ATOM 731 C LEU A 52 -8.592 6.906 -2.669 1.00 0.00 C ATOM 732 O LEU A 52 -8.626 8.136 -2.650 1.00 0.00 O ATOM 733 CB LEU A 52 -6.733 5.232 -2.628 1.00 0.00 C ATOM 734 CG LEU A 52 -5.446 5.822 -2.051 1.00 0.00 C ATOM 735 CD1 LEU A 52 -4.429 6.067 -3.155 1.00 0.00 C ATOM 736 CD2 LEU A 52 -5.741 7.112 -1.299 1.00 0.00 C ATOM 0 H LEU A 52 -6.102 7.670 -3.601 1.00 0.00 H new ATOM 0 HA LEU A 52 -8.089 5.572 -4.261 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -7.359 4.899 -1.800 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.475 4.347 -3.209 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.023 5.104 -1.349 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.520 6.487 -2.725 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -4.195 5.124 -3.650 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.843 6.765 -3.882 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.814 7.518 -0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.188 7.836 -1.980 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.433 6.907 -0.482 1.00 0.00 H new ATOM 748 N ASN A 53 -9.430 6.149 -1.969 1.00 0.00 N ATOM 749 CA ASN A 53 -10.461 6.733 -1.119 1.00 0.00 C ATOM 750 C ASN A 53 -10.852 5.774 0.001 1.00 0.00 C ATOM 751 O ASN A 53 -10.751 4.556 -0.148 1.00 0.00 O ATOM 752 CB ASN A 53 -11.694 7.093 -1.951 1.00 0.00 C ATOM 753 CG ASN A 53 -11.341 7.447 -3.383 1.00 0.00 C ATOM 754 OD1 ASN A 53 -10.853 6.465 -4.132 1.00 0.00 O flip ATOM 755 ND2 ASN A 53 -11.507 8.589 -3.811 1.00 0.00 N flip ATOM 0 H ASN A 53 -9.415 5.129 -1.974 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.055 7.640 -0.671 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -12.389 6.253 -1.948 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.209 7.935 -1.488 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -11.885 9.313 -3.200 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -11.267 8.812 -4.777 1.00 0.00 H new ATOM 762 N ILE A 54 -11.299 6.332 1.121 1.00 0.00 N ATOM 763 CA ILE A 54 -11.707 5.526 2.265 1.00 0.00 C ATOM 764 C ILE A 54 -12.759 4.498 1.866 1.00 0.00 C ATOM 765 O ILE A 54 -13.916 4.840 1.623 1.00 0.00 O ATOM 766 CB ILE A 54 -12.266 6.403 3.401 1.00 0.00 C ATOM 767 CG1 ILE A 54 -11.248 7.475 3.795 1.00 0.00 C ATOM 768 CG2 ILE A 54 -12.632 5.545 4.602 1.00 0.00 C ATOM 769 CD1 ILE A 54 -9.998 6.915 4.435 1.00 0.00 C ATOM 0 H ILE A 54 -11.388 7.338 1.261 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.816 5.010 2.621 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.169 6.899 3.046 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -10.969 8.043 2.908 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -11.718 8.174 4.486 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -13.025 6.180 5.396 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.389 4.816 4.311 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -11.745 5.023 4.961 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -9.322 7.732 4.688 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -10.265 6.371 5.341 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.504 6.238 3.738 1.00 0.00 H new ATOM 781 N GLY A 55 -12.351 3.234 1.803 1.00 0.00 N ATOM 782 CA GLY A 55 -13.271 2.174 1.434 1.00 0.00 C ATOM 783 C GLY A 55 -12.774 1.357 0.259 1.00 0.00 C ATOM 784 O GLY A 55 -13.117 0.182 0.122 1.00 0.00 O ATOM 0 H GLY A 55 -11.399 2.925 2.001 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.425 1.517 2.290 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -14.240 2.608 1.187 1.00 0.00 H new ATOM 788 N ASP A 56 -11.965 1.978 -0.592 1.00 0.00 N ATOM 789 CA ASP A 56 -11.419 1.300 -1.762 1.00 0.00 C ATOM 790 C ASP A 56 -10.483 0.169 -1.348 1.00 0.00 C ATOM 791 O ASP A 56 -9.841 0.235 -0.300 1.00 0.00 O ATOM 792 CB ASP A 56 -10.674 2.295 -2.653 1.00 0.00 C ATOM 793 CG ASP A 56 -11.572 2.913 -3.707 1.00 0.00 C ATOM 794 OD1 ASP A 56 -12.803 2.930 -3.502 1.00 0.00 O ATOM 795 OD2 ASP A 56 -11.043 3.380 -4.738 1.00 0.00 O ATOM 0 H ASP A 56 -11.673 2.950 -0.494 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.250 0.872 -2.324 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.248 3.085 -2.034 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -9.841 1.789 -3.141 1.00 0.00 H new ATOM 800 N GLN A 57 -10.412 -0.867 -2.178 1.00 0.00 N ATOM 801 CA GLN A 57 -9.556 -2.013 -1.896 1.00 0.00 C ATOM 802 C GLN A 57 -8.400 -2.085 -2.888 1.00 0.00 C ATOM 803 O GLN A 57 -8.465 -1.510 -3.975 1.00 0.00 O ATOM 804 CB GLN A 57 -10.368 -3.308 -1.947 1.00 0.00 C ATOM 805 CG GLN A 57 -10.384 -3.963 -3.318 1.00 0.00 C ATOM 806 CD GLN A 57 -11.552 -4.914 -3.497 1.00 0.00 C ATOM 807 OE1 GLN A 57 -11.358 -6.169 -3.111 1.00 0.00 O flip ATOM 808 NE2 GLN A 57 -12.616 -4.524 -3.977 1.00 0.00 N flip ATOM 0 H GLN A 57 -10.936 -0.936 -3.050 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.145 -1.890 -0.894 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -9.959 -4.012 -1.222 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -11.393 -3.096 -1.643 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.429 -3.190 -4.085 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -9.451 -4.507 -3.468 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -12.721 -3.550 -4.260 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -13.393 -5.175 -4.092 1.00 0.00 H new ATOM 817 N ILE A 58 -7.343 -2.794 -2.507 1.00 0.00 N ATOM 818 CA ILE A 58 -6.173 -2.942 -3.364 1.00 0.00 C ATOM 819 C ILE A 58 -6.099 -4.345 -3.956 1.00 0.00 C ATOM 820 O ILE A 58 -5.956 -5.329 -3.231 1.00 0.00 O ATOM 821 CB ILE A 58 -4.871 -2.652 -2.593 1.00 0.00 C ATOM 822 CG1 ILE A 58 -5.005 -1.357 -1.790 1.00 0.00 C ATOM 823 CG2 ILE A 58 -3.695 -2.567 -3.555 1.00 0.00 C ATOM 824 CD1 ILE A 58 -3.791 -1.042 -0.944 1.00 0.00 C ATOM 0 H ILE A 58 -7.273 -3.275 -1.610 1.00 0.00 H new ATOM 0 HA ILE A 58 -6.278 -2.216 -4.170 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.688 -3.470 -1.897 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.184 -0.530 -2.477 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.880 -1.429 -1.143 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.782 -2.362 -2.996 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.590 -3.513 -4.086 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.869 -1.765 -4.273 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.957 -0.111 -0.403 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.624 -1.851 -0.232 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.917 -0.938 -1.587 1.00 0.00 H new ATOM 836 N MET A 59 -6.194 -4.429 -5.279 1.00 0.00 N ATOM 837 CA MET A 59 -6.135 -5.712 -5.969 1.00 0.00 C ATOM 838 C MET A 59 -4.737 -6.315 -5.877 1.00 0.00 C ATOM 839 O MET A 59 -4.582 -7.519 -5.671 1.00 0.00 O ATOM 840 CB MET A 59 -6.535 -5.545 -7.436 1.00 0.00 C ATOM 841 CG MET A 59 -8.033 -5.651 -7.674 1.00 0.00 C ATOM 842 SD MET A 59 -8.557 -7.332 -8.060 1.00 0.00 S ATOM 843 CE MET A 59 -8.449 -8.100 -6.446 1.00 0.00 C ATOM 0 H MET A 59 -6.312 -3.624 -5.894 1.00 0.00 H new ATOM 0 HA MET A 59 -6.837 -6.390 -5.483 1.00 0.00 H new ATOM 0 HB2 MET A 59 -6.187 -4.575 -7.791 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.026 -6.303 -8.031 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.563 -5.304 -6.787 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.315 -4.990 -8.493 1.00 0.00 H new ATOM 0 HE1 MET A 59 -8.970 -9.057 -6.463 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.402 -8.261 -6.189 1.00 0.00 H new ATOM 0 HE3 MET A 59 -8.909 -7.450 -5.702 1.00 0.00 H new ATOM 853 N SER A 60 -3.722 -5.470 -6.030 1.00 0.00 N ATOM 854 CA SER A 60 -2.336 -5.921 -5.968 1.00 0.00 C ATOM 855 C SER A 60 -1.401 -4.759 -5.650 1.00 0.00 C ATOM 856 O SER A 60 -1.822 -3.603 -5.608 1.00 0.00 O ATOM 857 CB SER A 60 -1.929 -6.571 -7.292 1.00 0.00 C ATOM 858 OG SER A 60 -2.188 -5.706 -8.384 1.00 0.00 O ATOM 0 H SER A 60 -3.833 -4.470 -6.198 1.00 0.00 H new ATOM 0 HA SER A 60 -2.255 -6.659 -5.170 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.869 -6.823 -7.267 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.475 -7.505 -7.426 1.00 0.00 H new ATOM 0 HG SER A 60 -1.918 -6.143 -9.219 1.00 0.00 H new ATOM 864 N ILE A 61 -0.129 -5.075 -5.426 1.00 0.00 N ATOM 865 CA ILE A 61 0.867 -4.058 -5.113 1.00 0.00 C ATOM 866 C ILE A 61 2.114 -4.227 -5.974 1.00 0.00 C ATOM 867 O ILE A 61 2.929 -5.117 -5.735 1.00 0.00 O ATOM 868 CB ILE A 61 1.271 -4.105 -3.628 1.00 0.00 C ATOM 869 CG1 ILE A 61 0.087 -3.713 -2.741 1.00 0.00 C ATOM 870 CG2 ILE A 61 2.457 -3.187 -3.373 1.00 0.00 C ATOM 871 CD1 ILE A 61 0.219 -4.189 -1.312 1.00 0.00 C ATOM 0 H ILE A 61 0.235 -6.027 -5.456 1.00 0.00 H new ATOM 0 HA ILE A 61 0.410 -3.092 -5.326 1.00 0.00 H new ATOM 0 HB ILE A 61 1.565 -5.125 -3.379 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.017 -2.628 -2.746 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.828 -4.122 -3.169 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.731 -3.231 -2.319 1.00 0.00 H new ATOM 0 HG22 ILE A 61 3.303 -3.508 -3.981 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.188 -2.164 -3.636 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.655 -3.875 -0.742 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.292 -5.276 -1.296 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.116 -3.759 -0.867 1.00 0.00 H new ATOM 883 N ASN A 62 2.256 -3.364 -6.975 1.00 0.00 N ATOM 884 CA ASN A 62 3.406 -3.417 -7.871 1.00 0.00 C ATOM 885 C ASN A 62 3.492 -4.772 -8.567 1.00 0.00 C ATOM 886 O ASN A 62 4.567 -5.200 -8.985 1.00 0.00 O ATOM 887 CB ASN A 62 4.697 -3.147 -7.095 1.00 0.00 C ATOM 888 CG ASN A 62 5.014 -1.667 -6.997 1.00 0.00 C ATOM 889 OD1 ASN A 62 4.546 -0.866 -7.807 1.00 0.00 O ATOM 890 ND2 ASN A 62 5.813 -1.298 -6.003 1.00 0.00 N ATOM 0 H ASN A 62 1.590 -2.621 -7.186 1.00 0.00 H new ATOM 0 HA ASN A 62 3.278 -2.646 -8.631 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.609 -3.564 -6.092 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.525 -3.662 -7.582 1.00 0.00 H new ATOM 0 HD21 ASN A 62 6.062 -0.316 -5.887 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.177 -1.997 -5.355 1.00 0.00 H new ATOM 897 N GLY A 63 2.350 -5.442 -8.688 1.00 0.00 N ATOM 898 CA GLY A 63 2.317 -6.741 -9.334 1.00 0.00 C ATOM 899 C GLY A 63 2.265 -7.883 -8.339 1.00 0.00 C ATOM 900 O GLY A 63 2.462 -9.043 -8.701 1.00 0.00 O ATOM 0 H GLY A 63 1.447 -5.108 -8.350 1.00 0.00 H new ATOM 0 HA2 GLY A 63 1.448 -6.795 -9.990 1.00 0.00 H new ATOM 0 HA3 GLY A 63 3.199 -6.852 -9.964 1.00 0.00 H new ATOM 904 N THR A 64 1.999 -7.555 -7.078 1.00 0.00 N ATOM 905 CA THR A 64 1.924 -8.561 -6.026 1.00 0.00 C ATOM 906 C THR A 64 0.498 -8.712 -5.511 1.00 0.00 C ATOM 907 O THR A 64 0.066 -7.975 -4.625 1.00 0.00 O ATOM 908 CB THR A 64 2.849 -8.210 -4.846 1.00 0.00 C ATOM 909 OG1 THR A 64 4.212 -8.175 -5.285 1.00 0.00 O ATOM 910 CG2 THR A 64 2.700 -9.223 -3.721 1.00 0.00 C ATOM 0 H THR A 64 1.832 -6.600 -6.761 1.00 0.00 H new ATOM 0 HA THR A 64 2.250 -9.503 -6.466 1.00 0.00 H new ATOM 0 HB THR A 64 2.563 -7.228 -4.470 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.793 -7.949 -4.529 1.00 0.00 H new ATOM 0 HG21 THR A 64 3.363 -8.954 -2.899 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.668 -9.227 -3.369 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.961 -10.215 -4.088 1.00 0.00 H new ATOM 918 N SER A 65 -0.230 -9.673 -6.072 1.00 0.00 N ATOM 919 CA SER A 65 -1.610 -9.919 -5.671 1.00 0.00 C ATOM 920 C SER A 65 -1.706 -10.149 -4.165 1.00 0.00 C ATOM 921 O SER A 65 -0.905 -10.884 -3.585 1.00 0.00 O ATOM 922 CB SER A 65 -2.173 -11.129 -6.419 1.00 0.00 C ATOM 923 OG SER A 65 -3.586 -11.063 -6.506 1.00 0.00 O ATOM 0 H SER A 65 0.113 -10.293 -6.805 1.00 0.00 H new ATOM 0 HA SER A 65 -2.198 -9.037 -5.925 1.00 0.00 H new ATOM 0 HB2 SER A 65 -1.746 -11.172 -7.421 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.879 -12.046 -5.907 1.00 0.00 H new ATOM 0 HG SER A 65 -3.921 -11.847 -6.990 1.00 0.00 H new ATOM 929 N LEU A 66 -2.691 -9.516 -3.538 1.00 0.00 N ATOM 930 CA LEU A 66 -2.893 -9.650 -2.099 1.00 0.00 C ATOM 931 C LEU A 66 -4.097 -10.537 -1.799 1.00 0.00 C ATOM 932 O LEU A 66 -4.488 -10.701 -0.643 1.00 0.00 O ATOM 933 CB LEU A 66 -3.088 -8.273 -1.461 1.00 0.00 C ATOM 934 CG LEU A 66 -2.280 -7.129 -2.075 1.00 0.00 C ATOM 935 CD1 LEU A 66 -2.811 -5.786 -1.598 1.00 0.00 C ATOM 936 CD2 LEU A 66 -0.805 -7.274 -1.732 1.00 0.00 C ATOM 0 H LEU A 66 -3.362 -8.905 -4.003 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.005 -10.118 -1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.146 -8.015 -1.517 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.833 -8.345 -0.404 1.00 0.00 H new ATOM 0 HG LEU A 66 -2.386 -7.175 -3.159 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.224 -4.983 -2.045 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.855 -5.681 -1.895 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.735 -5.730 -0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.245 -6.451 -2.177 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.680 -7.254 -0.649 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.432 -8.220 -2.123 1.00 0.00 H new ATOM 948 N VAL A 67 -4.679 -11.110 -2.848 1.00 0.00 N ATOM 949 CA VAL A 67 -5.837 -11.984 -2.696 1.00 0.00 C ATOM 950 C VAL A 67 -5.522 -13.158 -1.776 1.00 0.00 C ATOM 951 O VAL A 67 -4.640 -13.967 -2.064 1.00 0.00 O ATOM 952 CB VAL A 67 -6.313 -12.525 -4.057 1.00 0.00 C ATOM 953 CG1 VAL A 67 -7.272 -13.690 -3.863 1.00 0.00 C ATOM 954 CG2 VAL A 67 -6.964 -11.418 -4.872 1.00 0.00 C ATOM 0 H VAL A 67 -4.368 -10.985 -3.811 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.632 -11.383 -2.254 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.445 -12.888 -4.608 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.598 -14.059 -4.836 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.767 -14.490 -3.322 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -8.139 -13.357 -3.293 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.294 -11.818 -5.831 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -7.822 -11.023 -4.329 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.243 -10.619 -5.042 1.00 0.00 H new ATOM 964 N GLY A 68 -6.250 -13.246 -0.667 1.00 0.00 N ATOM 965 CA GLY A 68 -6.034 -14.326 0.278 1.00 0.00 C ATOM 966 C GLY A 68 -5.092 -13.934 1.400 1.00 0.00 C ATOM 967 O GLY A 68 -5.269 -14.352 2.544 1.00 0.00 O ATOM 0 H GLY A 68 -6.985 -12.589 -0.406 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.991 -14.632 0.701 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.628 -15.190 -0.248 1.00 0.00 H new ATOM 971 N LEU A 69 -4.086 -13.131 1.071 1.00 0.00 N ATOM 972 CA LEU A 69 -3.110 -12.684 2.059 1.00 0.00 C ATOM 973 C LEU A 69 -3.802 -12.023 3.247 1.00 0.00 C ATOM 974 O LEU A 69 -4.779 -11.289 3.099 1.00 0.00 O ATOM 975 CB LEU A 69 -2.121 -11.707 1.422 1.00 0.00 C ATOM 976 CG LEU A 69 -1.113 -12.313 0.445 1.00 0.00 C ATOM 977 CD1 LEU A 69 -0.104 -11.266 -0.001 1.00 0.00 C ATOM 978 CD2 LEU A 69 -0.405 -13.502 1.078 1.00 0.00 C ATOM 0 H LEU A 69 -3.925 -12.776 0.128 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.567 -13.558 2.419 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.688 -10.938 0.897 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.569 -11.208 2.219 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.655 -12.663 -0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.605 -11.717 -0.696 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.625 -10.446 -0.495 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.432 -10.884 0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.309 -13.921 0.368 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.123 -13.176 1.974 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.139 -14.262 1.346 1.00 0.00 H new ATOM 990 N PRO A 70 -3.283 -12.286 4.456 1.00 0.00 N ATOM 991 CA PRO A 70 -3.833 -11.724 5.693 1.00 0.00 C ATOM 992 C PRO A 70 -3.589 -10.224 5.807 1.00 0.00 C ATOM 993 O PRO A 70 -2.699 -9.678 5.153 1.00 0.00 O ATOM 994 CB PRO A 70 -3.075 -12.474 6.791 1.00 0.00 C ATOM 995 CG PRO A 70 -1.795 -12.889 6.153 1.00 0.00 C ATOM 996 CD PRO A 70 -2.119 -13.152 4.708 1.00 0.00 C ATOM 0 HA PRO A 70 -4.915 -11.840 5.747 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.897 -11.835 7.656 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.640 -13.337 7.143 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -1.040 -12.108 6.248 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.392 -13.782 6.631 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -1.282 -12.900 4.056 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.354 -14.202 4.534 1.00 0.00 H new ATOM 1004 N LEU A 71 -4.383 -9.561 6.641 1.00 0.00 N ATOM 1005 CA LEU A 71 -4.253 -8.122 6.841 1.00 0.00 C ATOM 1006 C LEU A 71 -2.838 -7.760 7.279 1.00 0.00 C ATOM 1007 O LEU A 71 -2.259 -6.785 6.799 1.00 0.00 O ATOM 1008 CB LEU A 71 -5.262 -7.639 7.885 1.00 0.00 C ATOM 1009 CG LEU A 71 -5.087 -6.200 8.371 1.00 0.00 C ATOM 1010 CD1 LEU A 71 -5.369 -5.218 7.244 1.00 0.00 C ATOM 1011 CD2 LEU A 71 -5.996 -5.925 9.560 1.00 0.00 C ATOM 0 H LEU A 71 -5.124 -9.997 7.190 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.458 -7.628 5.891 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.264 -7.741 7.468 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.207 -8.302 8.748 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.053 -6.068 8.691 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.240 -4.199 7.608 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.677 -5.400 6.421 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.393 -5.351 6.893 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.858 -4.896 9.893 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -7.035 -6.075 9.266 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.747 -6.606 10.374 1.00 0.00 H new ATOM 1023 N SER A 72 -2.285 -8.552 8.192 1.00 0.00 N ATOM 1024 CA SER A 72 -0.937 -8.313 8.696 1.00 0.00 C ATOM 1025 C SER A 72 0.084 -8.371 7.565 1.00 0.00 C ATOM 1026 O SER A 72 0.970 -7.522 7.467 1.00 0.00 O ATOM 1027 CB SER A 72 -0.583 -9.342 9.772 1.00 0.00 C ATOM 1028 OG SER A 72 -1.299 -9.095 10.969 1.00 0.00 O ATOM 0 H SER A 72 -2.749 -9.365 8.598 1.00 0.00 H new ATOM 0 HA SER A 72 -0.911 -7.315 9.134 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.810 -10.345 9.409 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.488 -9.310 9.972 1.00 0.00 H new ATOM 0 HG SER A 72 -1.056 -9.767 11.640 1.00 0.00 H new ATOM 1034 N THR A 73 -0.046 -9.381 6.710 1.00 0.00 N ATOM 1035 CA THR A 73 0.865 -9.553 5.585 1.00 0.00 C ATOM 1036 C THR A 73 0.782 -8.371 4.625 1.00 0.00 C ATOM 1037 O THR A 73 1.744 -7.618 4.469 1.00 0.00 O ATOM 1038 CB THR A 73 0.564 -10.850 4.811 1.00 0.00 C ATOM 1039 OG1 THR A 73 1.063 -11.980 5.536 1.00 0.00 O ATOM 1040 CG2 THR A 73 1.193 -10.812 3.426 1.00 0.00 C ATOM 0 H THR A 73 -0.774 -10.093 6.775 1.00 0.00 H new ATOM 0 HA THR A 73 1.871 -9.612 6.000 1.00 0.00 H new ATOM 0 HB THR A 73 -0.517 -10.938 4.700 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.866 -12.801 5.038 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.967 -11.739 2.898 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.790 -9.968 2.866 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.273 -10.702 3.520 1.00 0.00 H new ATOM 1048 N CYS A 74 -0.371 -8.215 3.985 1.00 0.00 N ATOM 1049 CA CYS A 74 -0.579 -7.124 3.040 1.00 0.00 C ATOM 1050 C CYS A 74 0.055 -5.834 3.550 1.00 0.00 C ATOM 1051 O CYS A 74 0.657 -5.082 2.784 1.00 0.00 O ATOM 1052 CB CYS A 74 -2.074 -6.910 2.797 1.00 0.00 C ATOM 1053 SG CYS A 74 -2.950 -8.390 2.240 1.00 0.00 S ATOM 0 H CYS A 74 -1.176 -8.830 4.103 1.00 0.00 H new ATOM 0 HA CYS A 74 -0.100 -7.395 2.099 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -2.534 -6.554 3.719 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -2.201 -6.124 2.053 1.00 0.00 H new ATOM 0 HG CYS A 74 -3.055 -9.229 3.227 1.00 0.00 H new ATOM 1059 N GLN A 75 -0.085 -5.585 4.848 1.00 0.00 N ATOM 1060 CA GLN A 75 0.472 -4.384 5.460 1.00 0.00 C ATOM 1061 C GLN A 75 1.992 -4.361 5.328 1.00 0.00 C ATOM 1062 O GLN A 75 2.585 -3.319 5.051 1.00 0.00 O ATOM 1063 CB GLN A 75 0.075 -4.306 6.935 1.00 0.00 C ATOM 1064 CG GLN A 75 -1.278 -3.653 7.167 1.00 0.00 C ATOM 1065 CD GLN A 75 -1.521 -3.317 8.625 1.00 0.00 C ATOM 1066 OE1 GLN A 75 -0.594 -3.309 9.435 1.00 0.00 O ATOM 1067 NE2 GLN A 75 -2.773 -3.037 8.967 1.00 0.00 N ATOM 0 H GLN A 75 -0.579 -6.198 5.496 1.00 0.00 H new ATOM 0 HA GLN A 75 0.067 -3.518 4.936 1.00 0.00 H new ATOM 0 HB2 GLN A 75 0.060 -5.313 7.352 1.00 0.00 H new ATOM 0 HB3 GLN A 75 0.837 -3.747 7.479 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -1.344 -2.742 6.572 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -2.065 -4.321 6.816 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -3.510 -3.056 8.263 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -2.997 -2.803 9.934 1.00 0.00 H new ATOM 1076 N SER A 76 2.616 -5.518 5.528 1.00 0.00 N ATOM 1077 CA SER A 76 4.066 -5.630 5.436 1.00 0.00 C ATOM 1078 C SER A 76 4.555 -5.232 4.046 1.00 0.00 C ATOM 1079 O SER A 76 5.536 -4.501 3.906 1.00 0.00 O ATOM 1080 CB SER A 76 4.510 -7.058 5.756 1.00 0.00 C ATOM 1081 OG SER A 76 5.850 -7.085 6.217 1.00 0.00 O ATOM 0 H SER A 76 2.139 -6.391 5.755 1.00 0.00 H new ATOM 0 HA SER A 76 4.505 -4.949 6.165 1.00 0.00 H new ATOM 0 HB2 SER A 76 3.853 -7.485 6.514 1.00 0.00 H new ATOM 0 HB3 SER A 76 4.416 -7.679 4.865 1.00 0.00 H new ATOM 0 HG SER A 76 6.109 -8.009 6.416 1.00 0.00 H new ATOM 1087 N ILE A 77 3.863 -5.720 3.021 1.00 0.00 N ATOM 1088 CA ILE A 77 4.225 -5.415 1.643 1.00 0.00 C ATOM 1089 C ILE A 77 4.098 -3.923 1.358 1.00 0.00 C ATOM 1090 O ILE A 77 4.750 -3.395 0.456 1.00 0.00 O ATOM 1091 CB ILE A 77 3.346 -6.193 0.645 1.00 0.00 C ATOM 1092 CG1 ILE A 77 3.420 -7.695 0.931 1.00 0.00 C ATOM 1093 CG2 ILE A 77 3.779 -5.899 -0.783 1.00 0.00 C ATOM 1094 CD1 ILE A 77 2.202 -8.459 0.460 1.00 0.00 C ATOM 0 H ILE A 77 3.050 -6.327 3.119 1.00 0.00 H new ATOM 0 HA ILE A 77 5.264 -5.720 1.515 1.00 0.00 H new ATOM 0 HB ILE A 77 2.312 -5.869 0.764 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.306 -8.106 0.447 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.542 -7.847 2.003 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.149 -6.456 -1.476 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.681 -4.832 -0.981 1.00 0.00 H new ATOM 0 HG23 ILE A 77 4.818 -6.199 -0.917 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.323 -9.517 0.695 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.315 -8.074 0.963 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.090 -8.337 -0.617 1.00 0.00 H new ATOM 1106 N ILE A 78 3.256 -3.247 2.133 1.00 0.00 N ATOM 1107 CA ILE A 78 3.046 -1.815 1.966 1.00 0.00 C ATOM 1108 C ILE A 78 4.017 -1.013 2.827 1.00 0.00 C ATOM 1109 O ILE A 78 4.271 0.163 2.565 1.00 0.00 O ATOM 1110 CB ILE A 78 1.604 -1.411 2.326 1.00 0.00 C ATOM 1111 CG1 ILE A 78 0.609 -2.112 1.399 1.00 0.00 C ATOM 1112 CG2 ILE A 78 1.440 0.099 2.243 1.00 0.00 C ATOM 1113 CD1 ILE A 78 -0.770 -2.270 2.001 1.00 0.00 C ATOM 0 H ILE A 78 2.708 -3.669 2.883 1.00 0.00 H new ATOM 0 HA ILE A 78 3.225 -1.590 0.915 1.00 0.00 H new ATOM 0 HB ILE A 78 1.400 -1.723 3.350 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.529 -1.546 0.471 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.998 -3.096 1.139 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.416 0.368 2.500 1.00 0.00 H new ATOM 0 HG22 ILE A 78 2.127 0.578 2.940 1.00 0.00 H new ATOM 0 HG23 ILE A 78 1.659 0.434 1.229 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.422 -2.775 1.288 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.703 -2.862 2.914 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -1.180 -1.287 2.235 1.00 0.00 H new ATOM 1125 N LYS A 79 4.557 -1.657 3.855 1.00 0.00 N ATOM 1126 CA LYS A 79 5.503 -1.006 4.755 1.00 0.00 C ATOM 1127 C LYS A 79 6.911 -1.025 4.169 1.00 0.00 C ATOM 1128 O LYS A 79 7.785 -0.277 4.606 1.00 0.00 O ATOM 1129 CB LYS A 79 5.498 -1.697 6.120 1.00 0.00 C ATOM 1130 CG LYS A 79 4.280 -1.364 6.965 1.00 0.00 C ATOM 1131 CD LYS A 79 4.019 -2.433 8.013 1.00 0.00 C ATOM 1132 CE LYS A 79 2.783 -2.115 8.839 1.00 0.00 C ATOM 1133 NZ LYS A 79 3.033 -1.014 9.810 1.00 0.00 N ATOM 0 H LYS A 79 4.356 -2.630 4.087 1.00 0.00 H new ATOM 0 HA LYS A 79 5.193 0.032 4.879 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.543 -2.776 5.972 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.398 -1.412 6.666 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.428 -0.402 7.455 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.406 -1.263 6.321 1.00 0.00 H new ATOM 0 HD2 LYS A 79 3.893 -3.399 7.525 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.885 -2.519 8.670 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.965 -1.835 8.175 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.466 -3.008 9.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.166 -0.827 10.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.797 -1.291 10.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.311 -0.154 9.296 1.00 0.00 H new ATOM 1147 N GLY A 80 7.124 -1.884 3.177 1.00 0.00 N ATOM 1148 CA GLY A 80 8.428 -1.982 2.547 1.00 0.00 C ATOM 1149 C GLY A 80 8.579 -1.031 1.377 1.00 0.00 C ATOM 1150 O GLY A 80 9.554 -1.108 0.627 1.00 0.00 O ATOM 0 H GLY A 80 6.417 -2.514 2.798 1.00 0.00 H new ATOM 0 HA2 GLY A 80 9.202 -1.771 3.285 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.586 -3.004 2.203 1.00 0.00 H new ATOM 1154 N LEU A 81 7.613 -0.134 1.217 1.00 0.00 N ATOM 1155 CA LEU A 81 7.642 0.836 0.127 1.00 0.00 C ATOM 1156 C LEU A 81 8.209 2.170 0.601 1.00 0.00 C ATOM 1157 O LEU A 81 8.236 3.147 -0.149 1.00 0.00 O ATOM 1158 CB LEU A 81 6.236 1.038 -0.440 1.00 0.00 C ATOM 1159 CG LEU A 81 5.336 -0.198 -0.458 1.00 0.00 C ATOM 1160 CD1 LEU A 81 3.959 0.153 -0.999 1.00 0.00 C ATOM 1161 CD2 LEU A 81 5.969 -1.307 -1.286 1.00 0.00 C ATOM 0 H LEU A 81 6.800 -0.058 1.828 1.00 0.00 H new ATOM 0 HA LEU A 81 8.290 0.445 -0.658 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.740 1.816 0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 81 6.327 1.411 -1.460 1.00 0.00 H new ATOM 0 HG LEU A 81 5.222 -0.556 0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.332 -0.739 -1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.502 0.914 -0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.054 0.536 -2.015 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.315 -2.179 -1.288 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.114 -0.960 -2.309 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.933 -1.578 -0.855 1.00 0.00 H new ATOM 1173 N LYS A 82 8.662 2.205 1.849 1.00 0.00 N ATOM 1174 CA LYS A 82 9.232 3.418 2.423 1.00 0.00 C ATOM 1175 C LYS A 82 10.569 3.753 1.771 1.00 0.00 C ATOM 1176 O LYS A 82 10.885 4.920 1.546 1.00 0.00 O ATOM 1177 CB LYS A 82 9.415 3.255 3.934 1.00 0.00 C ATOM 1178 CG LYS A 82 10.311 4.312 4.556 1.00 0.00 C ATOM 1179 CD LYS A 82 10.762 3.911 5.950 1.00 0.00 C ATOM 1180 CE LYS A 82 9.710 4.251 6.995 1.00 0.00 C ATOM 1181 NZ LYS A 82 10.018 3.631 8.314 1.00 0.00 N ATOM 0 H LYS A 82 8.646 1.406 2.483 1.00 0.00 H new ATOM 0 HA LYS A 82 8.540 4.239 2.234 1.00 0.00 H new ATOM 0 HB2 LYS A 82 8.438 3.290 4.416 1.00 0.00 H new ATOM 0 HB3 LYS A 82 9.835 2.270 4.136 1.00 0.00 H new ATOM 0 HG2 LYS A 82 11.183 4.470 3.922 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.776 5.261 4.604 1.00 0.00 H new ATOM 0 HD2 LYS A 82 10.967 2.841 5.973 1.00 0.00 H new ATOM 0 HD3 LYS A 82 11.695 4.420 6.192 1.00 0.00 H new ATOM 0 HE2 LYS A 82 9.647 5.333 7.108 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.734 3.909 6.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 9.278 3.886 8.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 10.053 2.597 8.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.938 3.977 8.654 1.00 0.00 H new ATOM 1195 N ASN A 83 11.350 2.721 1.469 1.00 0.00 N ATOM 1196 CA ASN A 83 12.653 2.906 0.842 1.00 0.00 C ATOM 1197 C ASN A 83 12.500 3.366 -0.605 1.00 0.00 C ATOM 1198 O ASN A 83 13.480 3.718 -1.261 1.00 0.00 O ATOM 1199 CB ASN A 83 13.456 1.604 0.892 1.00 0.00 C ATOM 1200 CG ASN A 83 13.148 0.782 2.129 1.00 0.00 C ATOM 1201 OD1 ASN A 83 12.017 0.339 2.327 1.00 0.00 O ATOM 1202 ND2 ASN A 83 14.156 0.575 2.968 1.00 0.00 N ATOM 0 H ASN A 83 11.103 1.748 1.649 1.00 0.00 H new ATOM 0 HA ASN A 83 13.188 3.677 1.396 1.00 0.00 H new ATOM 0 HB2 ASN A 83 13.239 1.012 0.003 1.00 0.00 H new ATOM 0 HB3 ASN A 83 14.521 1.836 0.869 1.00 0.00 H new ATOM 0 HD21 ASN A 83 14.009 0.029 3.817 1.00 0.00 H new ATOM 0 HD22 ASN A 83 15.077 0.962 2.763 1.00 0.00 H new ATOM 1209 N GLN A 84 11.264 3.361 -1.094 1.00 0.00 N ATOM 1210 CA GLN A 84 10.984 3.778 -2.462 1.00 0.00 C ATOM 1211 C GLN A 84 10.084 5.010 -2.482 1.00 0.00 C ATOM 1212 O GLN A 84 9.320 5.247 -1.548 1.00 0.00 O ATOM 1213 CB GLN A 84 10.324 2.638 -3.240 1.00 0.00 C ATOM 1214 CG GLN A 84 9.259 1.898 -2.449 1.00 0.00 C ATOM 1215 CD GLN A 84 8.744 0.668 -3.171 1.00 0.00 C ATOM 1216 OE1 GLN A 84 8.043 0.773 -4.178 1.00 0.00 O ATOM 1217 NE2 GLN A 84 9.090 -0.507 -2.659 1.00 0.00 N ATOM 0 H GLN A 84 10.442 3.073 -0.564 1.00 0.00 H new ATOM 0 HA GLN A 84 11.931 4.034 -2.938 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.876 3.041 -4.148 1.00 0.00 H new ATOM 0 HB3 GLN A 84 11.092 1.929 -3.551 1.00 0.00 H new ATOM 0 HG2 GLN A 84 9.669 1.603 -1.483 1.00 0.00 H new ATOM 0 HG3 GLN A 84 8.426 2.572 -2.249 1.00 0.00 H new ATOM 0 HE21 GLN A 84 9.673 -0.547 -1.823 1.00 0.00 H new ATOM 0 HE22 GLN A 84 8.773 -1.369 -3.102 1.00 0.00 H new ATOM 1226 N SER A 85 10.182 5.790 -3.554 1.00 0.00 N ATOM 1227 CA SER A 85 9.380 7.000 -3.694 1.00 0.00 C ATOM 1228 C SER A 85 8.115 6.724 -4.501 1.00 0.00 C ATOM 1229 O SER A 85 7.000 6.908 -4.012 1.00 0.00 O ATOM 1230 CB SER A 85 10.197 8.104 -4.367 1.00 0.00 C ATOM 1231 OG SER A 85 11.093 7.565 -5.323 1.00 0.00 O ATOM 0 H SER A 85 10.808 5.606 -4.338 1.00 0.00 H new ATOM 0 HA SER A 85 9.089 7.330 -2.697 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.526 8.813 -4.852 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.755 8.659 -3.613 1.00 0.00 H new ATOM 0 HG SER A 85 11.602 8.291 -5.740 1.00 0.00 H new ATOM 1237 N ARG A 86 8.298 6.281 -5.741 1.00 0.00 N ATOM 1238 CA ARG A 86 7.173 5.979 -6.618 1.00 0.00 C ATOM 1239 C ARG A 86 6.769 4.513 -6.500 1.00 0.00 C ATOM 1240 O ARG A 86 7.609 3.617 -6.592 1.00 0.00 O ATOM 1241 CB ARG A 86 7.528 6.307 -8.070 1.00 0.00 C ATOM 1242 CG ARG A 86 6.402 6.026 -9.051 1.00 0.00 C ATOM 1243 CD ARG A 86 6.817 6.340 -10.480 1.00 0.00 C ATOM 1244 NE ARG A 86 7.872 5.448 -10.952 1.00 0.00 N ATOM 1245 CZ ARG A 86 9.165 5.659 -10.735 1.00 0.00 C ATOM 1246 NH1 ARG A 86 9.561 6.727 -10.056 1.00 0.00 N ATOM 1247 NH2 ARG A 86 10.066 4.801 -11.197 1.00 0.00 N ATOM 0 H ARG A 86 9.214 6.123 -6.161 1.00 0.00 H new ATOM 0 HA ARG A 86 6.329 6.596 -6.309 1.00 0.00 H new ATOM 0 HB2 ARG A 86 7.804 7.359 -8.139 1.00 0.00 H new ATOM 0 HB3 ARG A 86 8.404 5.728 -8.361 1.00 0.00 H new ATOM 0 HG2 ARG A 86 6.107 4.979 -8.978 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.529 6.622 -8.785 1.00 0.00 H new ATOM 0 HD2 ARG A 86 5.951 6.256 -11.136 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.162 7.372 -10.539 1.00 0.00 H new ATOM 0 HE ARG A 86 7.601 4.617 -11.477 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.872 7.389 -9.699 1.00 0.00 H new ATOM 0 HH12 ARG A 86 10.555 6.887 -9.891 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.766 3.978 -11.720 1.00 0.00 H new ATOM 0 HH22 ARG A 86 11.059 4.964 -11.030 1.00 0.00 H new ATOM 1261 N VAL A 87 5.477 4.274 -6.297 1.00 0.00 N ATOM 1262 CA VAL A 87 4.962 2.917 -6.167 1.00 0.00 C ATOM 1263 C VAL A 87 3.681 2.736 -6.973 1.00 0.00 C ATOM 1264 O VAL A 87 2.862 3.650 -7.073 1.00 0.00 O ATOM 1265 CB VAL A 87 4.683 2.560 -4.695 1.00 0.00 C ATOM 1266 CG1 VAL A 87 4.363 1.080 -4.555 1.00 0.00 C ATOM 1267 CG2 VAL A 87 5.868 2.942 -3.821 1.00 0.00 C ATOM 0 H VAL A 87 4.768 5.003 -6.219 1.00 0.00 H new ATOM 0 HA VAL A 87 5.731 2.249 -6.556 1.00 0.00 H new ATOM 0 HB VAL A 87 3.815 3.128 -4.360 1.00 0.00 H new ATOM 0 HG11 VAL A 87 4.169 0.847 -3.508 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.481 0.841 -5.150 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.209 0.490 -4.907 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.654 2.683 -2.784 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.755 2.403 -4.154 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.046 4.015 -3.898 1.00 0.00 H new ATOM 1277 N LYS A 88 3.512 1.550 -7.548 1.00 0.00 N ATOM 1278 CA LYS A 88 2.329 1.246 -8.345 1.00 0.00 C ATOM 1279 C LYS A 88 1.430 0.246 -7.625 1.00 0.00 C ATOM 1280 O LYS A 88 1.889 -0.802 -7.171 1.00 0.00 O ATOM 1281 CB LYS A 88 2.738 0.690 -9.710 1.00 0.00 C ATOM 1282 CG LYS A 88 1.582 0.096 -10.496 1.00 0.00 C ATOM 1283 CD LYS A 88 2.053 -0.510 -11.808 1.00 0.00 C ATOM 1284 CE LYS A 88 1.003 -1.437 -12.401 1.00 0.00 C ATOM 1285 NZ LYS A 88 1.074 -1.475 -13.888 1.00 0.00 N ATOM 0 H LYS A 88 4.180 0.783 -7.477 1.00 0.00 H new ATOM 0 HA LYS A 88 1.771 2.171 -8.489 1.00 0.00 H new ATOM 0 HB2 LYS A 88 3.193 1.488 -10.297 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.501 -0.075 -9.567 1.00 0.00 H new ATOM 0 HG2 LYS A 88 1.089 -0.669 -9.897 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.841 0.870 -10.697 1.00 0.00 H new ATOM 0 HD2 LYS A 88 2.280 0.286 -12.517 1.00 0.00 H new ATOM 0 HD3 LYS A 88 2.978 -1.063 -11.644 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.141 -2.443 -12.005 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.011 -1.107 -12.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 0.343 -2.117 -14.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 0.917 -0.520 -14.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 2.012 -1.815 -14.182 1.00 0.00 H new ATOM 1299 N LEU A 89 0.147 0.576 -7.525 1.00 0.00 N ATOM 1300 CA LEU A 89 -0.818 -0.294 -6.862 1.00 0.00 C ATOM 1301 C LEU A 89 -2.166 -0.255 -7.574 1.00 0.00 C ATOM 1302 O LEU A 89 -2.605 0.798 -8.036 1.00 0.00 O ATOM 1303 CB LEU A 89 -0.988 0.122 -5.400 1.00 0.00 C ATOM 1304 CG LEU A 89 0.234 0.758 -4.736 1.00 0.00 C ATOM 1305 CD1 LEU A 89 -0.193 1.680 -3.605 1.00 0.00 C ATOM 1306 CD2 LEU A 89 1.181 -0.316 -4.222 1.00 0.00 C ATOM 0 H LEU A 89 -0.249 1.440 -7.895 1.00 0.00 H new ATOM 0 HA LEU A 89 -0.437 -1.315 -6.901 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.818 0.826 -5.338 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.273 -0.758 -4.824 1.00 0.00 H new ATOM 0 HG LEU A 89 0.761 1.352 -5.482 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.690 2.124 -3.144 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.831 2.470 -4.001 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.744 1.108 -2.858 1.00 0.00 H new ATOM 0 HD21 LEU A 89 2.045 0.155 -3.753 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.664 -0.937 -3.490 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.514 -0.936 -5.054 1.00 0.00 H new ATOM 1318 N ASN A 90 -2.820 -1.409 -7.657 1.00 0.00 N ATOM 1319 CA ASN A 90 -4.119 -1.506 -8.311 1.00 0.00 C ATOM 1320 C ASN A 90 -5.251 -1.362 -7.297 1.00 0.00 C ATOM 1321 O ASN A 90 -5.387 -2.177 -6.384 1.00 0.00 O ATOM 1322 CB ASN A 90 -4.245 -2.843 -9.046 1.00 0.00 C ATOM 1323 CG ASN A 90 -5.242 -2.783 -10.187 1.00 0.00 C ATOM 1324 OD1 ASN A 90 -6.159 -1.826 -10.122 1.00 0.00 O flip ATOM 1325 ND2 ASN A 90 -5.186 -3.588 -11.117 1.00 0.00 N flip ATOM 0 H ASN A 90 -2.471 -2.290 -7.279 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.196 -0.693 -9.033 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.269 -3.134 -9.435 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.551 -3.615 -8.340 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.463 -4.308 -11.126 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -5.862 -3.535 -11.879 1.00 0.00 H new ATOM 1332 N ILE A 91 -6.059 -0.321 -7.465 1.00 0.00 N ATOM 1333 CA ILE A 91 -7.179 -0.071 -6.567 1.00 0.00 C ATOM 1334 C ILE A 91 -8.508 -0.399 -7.240 1.00 0.00 C ATOM 1335 O ILE A 91 -8.667 -0.212 -8.446 1.00 0.00 O ATOM 1336 CB ILE A 91 -7.204 1.393 -6.092 1.00 0.00 C ATOM 1337 CG1 ILE A 91 -5.836 1.796 -5.536 1.00 0.00 C ATOM 1338 CG2 ILE A 91 -8.287 1.591 -5.042 1.00 0.00 C ATOM 1339 CD1 ILE A 91 -5.513 1.154 -4.205 1.00 0.00 C ATOM 0 H ILE A 91 -5.959 0.363 -8.215 1.00 0.00 H new ATOM 0 HA ILE A 91 -7.042 -0.722 -5.703 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.431 2.032 -6.945 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.065 1.525 -6.258 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.802 2.880 -5.425 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -8.292 2.631 -4.716 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.258 1.340 -5.469 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -8.088 0.944 -4.188 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -4.529 1.484 -3.871 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.263 1.445 -3.469 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -5.514 0.070 -4.314 1.00 0.00 H new ATOM 1351 N VAL A 92 -9.460 -0.886 -6.451 1.00 0.00 N ATOM 1352 CA VAL A 92 -10.777 -1.237 -6.970 1.00 0.00 C ATOM 1353 C VAL A 92 -11.869 -0.923 -5.954 1.00 0.00 C ATOM 1354 O VAL A 92 -11.965 -1.570 -4.911 1.00 0.00 O ATOM 1355 CB VAL A 92 -10.853 -2.729 -7.345 1.00 0.00 C ATOM 1356 CG1 VAL A 92 -12.266 -3.101 -7.768 1.00 0.00 C ATOM 1357 CG2 VAL A 92 -9.855 -3.052 -8.447 1.00 0.00 C ATOM 0 H VAL A 92 -9.344 -1.047 -5.450 1.00 0.00 H new ATOM 0 HA VAL A 92 -10.935 -0.637 -7.866 1.00 0.00 H new ATOM 0 HB VAL A 92 -10.594 -3.321 -6.467 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -12.301 -4.159 -8.029 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -12.955 -2.907 -6.946 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -12.556 -2.504 -8.632 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -9.922 -4.110 -8.700 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -10.081 -2.453 -9.329 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -8.846 -2.824 -8.102 1.00 0.00 H new ATOM 1367 N SER A 93 -12.691 0.074 -6.265 1.00 0.00 N ATOM 1368 CA SER A 93 -13.776 0.476 -5.377 1.00 0.00 C ATOM 1369 C SER A 93 -14.428 -0.742 -4.730 1.00 0.00 C ATOM 1370 O SER A 93 -14.927 -1.631 -5.418 1.00 0.00 O ATOM 1371 CB SER A 93 -14.823 1.280 -6.150 1.00 0.00 C ATOM 1372 OG SER A 93 -16.097 1.181 -5.536 1.00 0.00 O ATOM 0 H SER A 93 -12.626 0.618 -7.125 1.00 0.00 H new ATOM 0 HA SER A 93 -13.356 1.102 -4.590 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.520 2.326 -6.199 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.881 0.916 -7.176 1.00 0.00 H new ATOM 0 HG SER A 93 -16.748 1.704 -6.048 1.00 0.00 H new ATOM 1378 N GLY A 94 -14.419 -0.774 -3.401 1.00 0.00 N ATOM 1379 CA GLY A 94 -15.012 -1.886 -2.682 1.00 0.00 C ATOM 1380 C GLY A 94 -16.420 -2.194 -3.150 1.00 0.00 C ATOM 1381 O GLY A 94 -16.934 -1.583 -4.088 1.00 0.00 O ATOM 0 H GLY A 94 -14.012 -0.050 -2.810 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -14.388 -2.771 -2.809 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -15.028 -1.658 -1.616 1.00 0.00 H new ATOM 1385 N PRO A 95 -17.069 -3.165 -2.489 1.00 0.00 N ATOM 1386 CA PRO A 95 -18.435 -3.576 -2.827 1.00 0.00 C ATOM 1387 C PRO A 95 -19.466 -2.511 -2.471 1.00 0.00 C ATOM 1388 O PRO A 95 -20.022 -2.514 -1.372 1.00 0.00 O ATOM 1389 CB PRO A 95 -18.647 -4.832 -1.977 1.00 0.00 C ATOM 1390 CG PRO A 95 -17.715 -4.673 -0.826 1.00 0.00 C ATOM 1391 CD PRO A 95 -16.518 -3.936 -1.362 1.00 0.00 C ATOM 0 HA PRO A 95 -18.558 -3.743 -3.897 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -19.681 -4.913 -1.641 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -18.425 -5.736 -2.544 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -18.186 -4.116 -0.016 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -17.427 -5.643 -0.420 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -16.076 -3.285 -0.608 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -15.737 -4.622 -1.688 1.00 0.00 H new ATOM 1399 N SER A 96 -19.716 -1.600 -3.406 1.00 0.00 N ATOM 1400 CA SER A 96 -20.679 -0.526 -3.189 1.00 0.00 C ATOM 1401 C SER A 96 -22.092 -1.084 -3.048 1.00 0.00 C ATOM 1402 O SER A 96 -22.815 -0.741 -2.113 1.00 0.00 O ATOM 1403 CB SER A 96 -20.626 0.475 -4.344 1.00 0.00 C ATOM 1404 OG SER A 96 -19.469 1.289 -4.261 1.00 0.00 O ATOM 0 H SER A 96 -19.265 -1.584 -4.321 1.00 0.00 H new ATOM 0 HA SER A 96 -20.415 -0.015 -2.263 1.00 0.00 H new ATOM 0 HB2 SER A 96 -20.631 -0.060 -5.294 1.00 0.00 H new ATOM 0 HB3 SER A 96 -21.517 1.102 -4.327 1.00 0.00 H new ATOM 0 HG SER A 96 -19.458 1.919 -5.012 1.00 0.00 H new ATOM 1410 N SER A 97 -22.478 -1.945 -3.984 1.00 0.00 N ATOM 1411 CA SER A 97 -23.805 -2.548 -3.967 1.00 0.00 C ATOM 1412 C SER A 97 -23.896 -3.632 -2.898 1.00 0.00 C ATOM 1413 O SER A 97 -23.238 -4.667 -2.990 1.00 0.00 O ATOM 1414 CB SER A 97 -24.138 -3.139 -5.339 1.00 0.00 C ATOM 1415 OG SER A 97 -25.436 -3.707 -5.348 1.00 0.00 O ATOM 0 H SER A 97 -21.890 -2.241 -4.764 1.00 0.00 H new ATOM 0 HA SER A 97 -24.528 -1.768 -3.730 1.00 0.00 H new ATOM 0 HB2 SER A 97 -24.073 -2.361 -6.099 1.00 0.00 H new ATOM 0 HB3 SER A 97 -23.403 -3.900 -5.599 1.00 0.00 H new ATOM 0 HG SER A 97 -25.625 -4.076 -6.236 1.00 0.00 H new ATOM 1421 N GLY A 98 -24.719 -3.386 -1.882 1.00 0.00 N ATOM 1422 CA GLY A 98 -24.882 -4.349 -0.809 1.00 0.00 C ATOM 1423 C GLY A 98 -25.350 -3.707 0.481 1.00 0.00 C ATOM 1424 O GLY A 98 -26.135 -2.759 0.460 1.00 0.00 O ATOM 0 H GLY A 98 -25.275 -2.537 -1.784 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -25.601 -5.110 -1.114 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -23.934 -4.858 -0.635 1.00 0.00 H new TER 1428 GLY A 98