USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 724 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 61 TYR OH : rot 80:sc= -0.825 USER MOD Set 1.2: A 77 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 25 ASN : amide:sc= -0.0658 X(o=-0.066,f=-0.38) USER MOD Set 2.2: A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0599 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -77:sc= -0.219 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -50:sc= 0.141 USER MOD Single : A 38 THR OG1 : rot 114:sc= -0.255 USER MOD Single : A 40 SER OG : rot 53:sc= 0.866 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= -0.0596 (180deg=-0.0596) USER MOD Single : A 44 GLN : amide:sc= -0.313 K(o=-0.31,f=-2.3!) USER MOD Single : A 45 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.0188) USER MOD Single : A 47 HIS : no HD1:sc= -0.287 X(o=-0.29,f=0.056) USER MOD Single : A 48 SER OG : rot -34:sc= 0.0111 USER MOD Single : A 50 THR OG1 : rot -26:sc= -2.45! USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.123 K(o=-0.12,f=-2.2!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl -140:sc= -0.0854 (180deg=-1.5!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.00189 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot 44:sc= 0.25 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 MET CE :methyl -166:sc= -1.35 (180deg=-1.63) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.863 -28.303 -9.741 1.00 0.00 N ATOM 2 CA GLY A 1 11.645 -27.044 -10.432 1.00 0.00 C ATOM 3 C GLY A 1 10.609 -26.188 -9.699 1.00 0.00 C ATOM 4 O GLY A 1 10.440 -26.314 -8.487 1.00 0.00 O ATOM 0 H1 GLY A 1 12.878 -28.423 -9.550 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.339 -28.301 -8.843 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.528 -29.088 -10.335 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.586 -26.498 -10.507 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.307 -27.238 -11.450 1.00 0.00 H new ATOM 8 N SER A 2 9.942 -25.338 -10.465 1.00 0.00 N ATOM 9 CA SER A 2 8.928 -24.462 -9.904 1.00 0.00 C ATOM 10 C SER A 2 8.173 -23.748 -11.028 1.00 0.00 C ATOM 11 O SER A 2 8.587 -23.793 -12.185 1.00 0.00 O ATOM 12 CB SER A 2 9.549 -23.440 -8.950 1.00 0.00 C ATOM 13 OG SER A 2 8.591 -22.912 -8.036 1.00 0.00 O ATOM 0 H SER A 2 10.084 -25.237 -11.470 1.00 0.00 H new ATOM 0 HA SER A 2 8.227 -25.072 -9.334 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.360 -23.910 -8.394 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.987 -22.625 -9.527 1.00 0.00 H new ATOM 0 HG SER A 2 9.027 -22.265 -7.443 1.00 0.00 H new ATOM 19 N SER A 3 7.078 -23.107 -10.647 1.00 0.00 N ATOM 20 CA SER A 3 6.262 -22.385 -11.608 1.00 0.00 C ATOM 21 C SER A 3 5.982 -20.969 -11.098 1.00 0.00 C ATOM 22 O SER A 3 6.253 -20.658 -9.940 1.00 0.00 O ATOM 23 CB SER A 3 4.948 -23.121 -11.878 1.00 0.00 C ATOM 24 OG SER A 3 5.025 -23.942 -13.041 1.00 0.00 O ATOM 0 H SER A 3 6.737 -23.073 -9.686 1.00 0.00 H new ATOM 0 HA SER A 3 6.813 -22.324 -12.547 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.694 -23.737 -11.016 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.144 -22.395 -11.999 1.00 0.00 H new ATOM 0 HG SER A 3 4.167 -24.396 -13.178 1.00 0.00 H new ATOM 30 N GLY A 4 5.443 -20.150 -11.989 1.00 0.00 N ATOM 31 CA GLY A 4 5.124 -18.775 -11.644 1.00 0.00 C ATOM 32 C GLY A 4 4.042 -18.214 -12.569 1.00 0.00 C ATOM 33 O GLY A 4 3.542 -18.920 -13.444 1.00 0.00 O ATOM 0 H GLY A 4 5.219 -20.412 -12.949 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.784 -18.725 -10.609 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.022 -18.161 -11.715 1.00 0.00 H new ATOM 37 N SER A 5 3.713 -16.951 -12.345 1.00 0.00 N ATOM 38 CA SER A 5 2.699 -16.288 -13.148 1.00 0.00 C ATOM 39 C SER A 5 3.107 -14.836 -13.410 1.00 0.00 C ATOM 40 O SER A 5 4.062 -14.339 -12.816 1.00 0.00 O ATOM 41 CB SER A 5 1.333 -16.339 -12.462 1.00 0.00 C ATOM 42 OG SER A 5 1.233 -15.396 -11.399 1.00 0.00 O ATOM 0 H SER A 5 4.130 -16.369 -11.619 1.00 0.00 H new ATOM 0 HA SER A 5 2.618 -16.814 -14.099 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.551 -16.142 -13.196 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.160 -17.343 -12.074 1.00 0.00 H new ATOM 0 HG SER A 5 0.346 -15.459 -10.988 1.00 0.00 H new ATOM 48 N SER A 6 2.363 -14.198 -14.301 1.00 0.00 N ATOM 49 CA SER A 6 2.635 -12.814 -14.650 1.00 0.00 C ATOM 50 C SER A 6 1.333 -12.010 -14.655 1.00 0.00 C ATOM 51 O SER A 6 0.279 -12.532 -15.016 1.00 0.00 O ATOM 52 CB SER A 6 3.326 -12.714 -16.011 1.00 0.00 C ATOM 53 OG SER A 6 4.449 -11.837 -15.977 1.00 0.00 O ATOM 0 H SER A 6 1.572 -14.614 -14.792 1.00 0.00 H new ATOM 0 HA SER A 6 3.308 -12.399 -13.900 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.650 -13.706 -16.327 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.612 -12.360 -16.755 1.00 0.00 H new ATOM 0 HG SER A 6 4.864 -11.802 -16.864 1.00 0.00 H new ATOM 59 N GLY A 7 1.449 -10.754 -14.251 1.00 0.00 N ATOM 60 CA GLY A 7 0.294 -9.873 -14.205 1.00 0.00 C ATOM 61 C GLY A 7 0.464 -8.695 -15.167 1.00 0.00 C ATOM 62 O GLY A 7 1.042 -8.845 -16.242 1.00 0.00 O ATOM 0 H GLY A 7 2.325 -10.325 -13.952 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.605 -10.432 -14.464 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.156 -9.501 -13.190 1.00 0.00 H new ATOM 66 N ASP A 8 -0.050 -7.549 -14.745 1.00 0.00 N ATOM 67 CA ASP A 8 0.038 -6.346 -15.555 1.00 0.00 C ATOM 68 C ASP A 8 -0.470 -5.152 -14.745 1.00 0.00 C ATOM 69 O ASP A 8 -1.306 -5.311 -13.857 1.00 0.00 O ATOM 70 CB ASP A 8 -0.824 -6.465 -16.813 1.00 0.00 C ATOM 71 CG ASP A 8 -0.271 -5.750 -18.047 1.00 0.00 C ATOM 72 OD1 ASP A 8 0.917 -5.987 -18.356 1.00 0.00 O ATOM 73 OD2 ASP A 8 -1.048 -4.981 -18.654 1.00 0.00 O ATOM 0 H ASP A 8 -0.529 -7.428 -13.853 1.00 0.00 H new ATOM 0 HA ASP A 8 1.080 -6.210 -15.843 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.950 -7.521 -17.050 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.815 -6.067 -16.595 1.00 0.00 H new ATOM 78 N ALA A 9 0.057 -3.983 -15.079 1.00 0.00 N ATOM 79 CA ALA A 9 -0.333 -2.763 -14.393 1.00 0.00 C ATOM 80 C ALA A 9 0.327 -1.565 -15.079 1.00 0.00 C ATOM 81 O ALA A 9 1.125 -1.734 -16.000 1.00 0.00 O ATOM 82 CB ALA A 9 0.042 -2.867 -12.914 1.00 0.00 C ATOM 0 H ALA A 9 0.751 -3.855 -15.816 1.00 0.00 H new ATOM 0 HA ALA A 9 -1.412 -2.621 -14.446 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.251 -1.952 -12.399 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.475 -3.716 -12.466 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.119 -3.007 -12.821 1.00 0.00 H new ATOM 88 N GLY A 10 -0.031 -0.381 -14.604 1.00 0.00 N ATOM 89 CA GLY A 10 0.516 0.845 -15.160 1.00 0.00 C ATOM 90 C GLY A 10 1.234 1.662 -14.084 1.00 0.00 C ATOM 91 O GLY A 10 1.324 1.237 -12.934 1.00 0.00 O ATOM 0 H GLY A 10 -0.693 -0.245 -13.840 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.212 0.605 -15.964 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.286 1.439 -15.598 1.00 0.00 H new ATOM 95 N GLY A 11 1.725 2.822 -14.497 1.00 0.00 N ATOM 96 CA GLY A 11 2.432 3.702 -13.583 1.00 0.00 C ATOM 97 C GLY A 11 2.110 5.169 -13.875 1.00 0.00 C ATOM 98 O GLY A 11 0.991 5.496 -14.268 1.00 0.00 O ATOM 0 H GLY A 11 1.647 3.172 -15.452 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.156 3.463 -12.556 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.506 3.537 -13.671 1.00 0.00 H new ATOM 102 N GLY A 12 3.111 6.013 -13.673 1.00 0.00 N ATOM 103 CA GLY A 12 2.948 7.438 -13.910 1.00 0.00 C ATOM 104 C GLY A 12 4.297 8.106 -14.185 1.00 0.00 C ATOM 105 O GLY A 12 5.328 7.436 -14.229 1.00 0.00 O ATOM 0 H GLY A 12 4.038 5.738 -13.348 1.00 0.00 H new ATOM 0 HA2 GLY A 12 2.281 7.595 -14.757 1.00 0.00 H new ATOM 0 HA3 GLY A 12 2.478 7.903 -13.043 1.00 0.00 H new ATOM 109 N VAL A 13 4.246 9.417 -14.364 1.00 0.00 N ATOM 110 CA VAL A 13 5.451 10.183 -14.633 1.00 0.00 C ATOM 111 C VAL A 13 5.614 11.263 -13.562 1.00 0.00 C ATOM 112 O VAL A 13 4.657 11.960 -13.227 1.00 0.00 O ATOM 113 CB VAL A 13 5.403 10.752 -16.053 1.00 0.00 C ATOM 114 CG1 VAL A 13 6.638 11.607 -16.343 1.00 0.00 C ATOM 115 CG2 VAL A 13 5.255 9.633 -17.087 1.00 0.00 C ATOM 0 H VAL A 13 3.389 9.969 -14.328 1.00 0.00 H new ATOM 0 HA VAL A 13 6.330 9.541 -14.583 1.00 0.00 H new ATOM 0 HB VAL A 13 4.526 11.395 -16.127 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.579 11.999 -17.358 1.00 0.00 H new ATOM 0 HG12 VAL A 13 6.681 12.435 -15.636 1.00 0.00 H new ATOM 0 HG13 VAL A 13 7.535 10.996 -16.242 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.223 10.064 -18.088 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.104 8.953 -17.011 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.332 9.084 -16.899 1.00 0.00 H new ATOM 125 N GLY A 14 6.833 11.369 -13.055 1.00 0.00 N ATOM 126 CA GLY A 14 7.134 12.353 -12.029 1.00 0.00 C ATOM 127 C GLY A 14 7.917 11.721 -10.876 1.00 0.00 C ATOM 128 O GLY A 14 7.327 11.194 -9.935 1.00 0.00 O ATOM 0 H GLY A 14 7.624 10.790 -13.335 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.712 13.169 -12.462 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.207 12.784 -11.651 1.00 0.00 H new ATOM 132 N LYS A 15 9.235 11.795 -10.988 1.00 0.00 N ATOM 133 CA LYS A 15 10.106 11.237 -9.967 1.00 0.00 C ATOM 134 C LYS A 15 9.917 9.720 -9.916 1.00 0.00 C ATOM 135 O LYS A 15 8.797 9.226 -10.037 1.00 0.00 O ATOM 136 CB LYS A 15 9.870 11.932 -8.624 1.00 0.00 C ATOM 137 CG LYS A 15 11.157 12.581 -8.110 1.00 0.00 C ATOM 138 CD LYS A 15 11.160 12.656 -6.582 1.00 0.00 C ATOM 139 CE LYS A 15 12.153 11.656 -5.986 1.00 0.00 C ATOM 140 NZ LYS A 15 13.400 12.342 -5.582 1.00 0.00 N ATOM 0 H LYS A 15 9.721 12.233 -11.770 1.00 0.00 H new ATOM 0 HA LYS A 15 11.151 11.420 -10.215 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.095 12.690 -8.734 1.00 0.00 H new ATOM 0 HB3 LYS A 15 9.507 11.208 -7.894 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.019 12.008 -8.451 1.00 0.00 H new ATOM 0 HG3 LYS A 15 11.255 13.583 -8.527 1.00 0.00 H new ATOM 0 HD2 LYS A 15 11.420 13.666 -6.264 1.00 0.00 H new ATOM 0 HD3 LYS A 15 10.159 12.450 -6.202 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.707 11.162 -5.123 1.00 0.00 H new ATOM 0 HE3 LYS A 15 12.379 10.879 -6.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 14.063 11.649 -5.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 13.833 12.793 -6.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 13.182 13.067 -4.869 1.00 0.00 H new ATOM 154 N GLU A 16 11.030 9.023 -9.737 1.00 0.00 N ATOM 155 CA GLU A 16 11.001 7.572 -9.669 1.00 0.00 C ATOM 156 C GLU A 16 10.250 7.114 -8.417 1.00 0.00 C ATOM 157 O GLU A 16 10.815 7.090 -7.324 1.00 0.00 O ATOM 158 CB GLU A 16 12.417 6.993 -9.701 1.00 0.00 C ATOM 159 CG GLU A 16 12.603 6.067 -10.905 1.00 0.00 C ATOM 160 CD GLU A 16 14.019 6.186 -11.474 1.00 0.00 C ATOM 161 OE1 GLU A 16 14.952 5.745 -10.769 1.00 0.00 O ATOM 162 OE2 GLU A 16 14.135 6.715 -12.600 1.00 0.00 O ATOM 0 H GLU A 16 11.957 9.436 -9.637 1.00 0.00 H new ATOM 0 HA GLU A 16 10.471 7.198 -10.545 1.00 0.00 H new ATOM 0 HB2 GLU A 16 13.144 7.804 -9.745 1.00 0.00 H new ATOM 0 HB3 GLU A 16 12.609 6.442 -8.780 1.00 0.00 H new ATOM 0 HG2 GLU A 16 12.412 5.036 -10.608 1.00 0.00 H new ATOM 0 HG3 GLU A 16 11.875 6.317 -11.677 1.00 0.00 H new ATOM 169 N LEU A 17 8.988 6.763 -8.618 1.00 0.00 N ATOM 170 CA LEU A 17 8.154 6.308 -7.518 1.00 0.00 C ATOM 171 C LEU A 17 8.980 5.410 -6.595 1.00 0.00 C ATOM 172 O LEU A 17 9.945 4.785 -7.032 1.00 0.00 O ATOM 173 CB LEU A 17 6.884 5.640 -8.050 1.00 0.00 C ATOM 174 CG LEU A 17 6.049 6.470 -9.027 1.00 0.00 C ATOM 175 CD1 LEU A 17 6.095 7.956 -8.663 1.00 0.00 C ATOM 176 CD2 LEU A 17 6.485 6.220 -10.472 1.00 0.00 C ATOM 0 H LEU A 17 8.523 6.784 -9.526 1.00 0.00 H new ATOM 0 HA LEU A 17 7.816 7.155 -6.921 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.166 4.710 -8.543 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.255 5.373 -7.201 1.00 0.00 H new ATOM 0 HG LEU A 17 5.010 6.150 -8.945 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.493 8.523 -9.373 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.698 8.097 -7.658 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.126 8.308 -8.699 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.875 6.822 -11.145 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.533 6.495 -10.588 1.00 0.00 H new ATOM 0 HD23 LEU A 17 6.357 5.165 -10.713 1.00 0.00 H new ATOM 188 N VAL A 18 8.572 5.375 -5.335 1.00 0.00 N ATOM 189 CA VAL A 18 9.262 4.565 -4.346 1.00 0.00 C ATOM 190 C VAL A 18 8.669 3.154 -4.346 1.00 0.00 C ATOM 191 O VAL A 18 7.474 2.979 -4.575 1.00 0.00 O ATOM 192 CB VAL A 18 9.195 5.241 -2.976 1.00 0.00 C ATOM 193 CG1 VAL A 18 7.747 5.541 -2.582 1.00 0.00 C ATOM 194 CG2 VAL A 18 9.888 4.391 -1.910 1.00 0.00 C ATOM 0 H VAL A 18 7.771 5.895 -4.976 1.00 0.00 H new ATOM 0 HA VAL A 18 10.319 4.474 -4.597 1.00 0.00 H new ATOM 0 HB VAL A 18 9.727 6.190 -3.045 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.728 6.021 -1.604 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.299 6.205 -3.321 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.181 4.610 -2.540 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.826 4.895 -0.946 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.398 3.420 -1.844 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.935 4.252 -2.180 1.00 0.00 H new ATOM 204 N ASP A 19 9.534 2.184 -4.087 1.00 0.00 N ATOM 205 CA ASP A 19 9.111 0.794 -4.054 1.00 0.00 C ATOM 206 C ASP A 19 8.551 0.469 -2.668 1.00 0.00 C ATOM 207 O ASP A 19 9.148 0.826 -1.654 1.00 0.00 O ATOM 208 CB ASP A 19 10.288 -0.146 -4.321 1.00 0.00 C ATOM 209 CG ASP A 19 10.327 -0.750 -5.726 1.00 0.00 C ATOM 210 OD1 ASP A 19 9.243 -0.820 -6.344 1.00 0.00 O ATOM 211 OD2 ASP A 19 11.440 -1.129 -6.150 1.00 0.00 O ATOM 0 H ASP A 19 10.525 2.333 -3.898 1.00 0.00 H new ATOM 0 HA ASP A 19 8.355 0.653 -4.826 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.216 0.400 -4.151 1.00 0.00 H new ATOM 0 HB3 ASP A 19 10.258 -0.957 -3.594 1.00 0.00 H new ATOM 216 N LEU A 20 7.411 -0.206 -2.669 1.00 0.00 N ATOM 217 CA LEU A 20 6.763 -0.584 -1.424 1.00 0.00 C ATOM 218 C LEU A 20 6.066 -1.933 -1.606 1.00 0.00 C ATOM 219 O LEU A 20 5.530 -2.220 -2.675 1.00 0.00 O ATOM 220 CB LEU A 20 5.830 0.531 -0.946 1.00 0.00 C ATOM 221 CG LEU A 20 6.475 1.903 -0.741 1.00 0.00 C ATOM 222 CD1 LEU A 20 5.412 2.978 -0.506 1.00 0.00 C ATOM 223 CD2 LEU A 20 7.507 1.861 0.387 1.00 0.00 C ATOM 0 H LEU A 20 6.919 -0.501 -3.512 1.00 0.00 H new ATOM 0 HA LEU A 20 7.502 -0.711 -0.633 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.021 0.636 -1.669 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.377 0.220 -0.005 1.00 0.00 H new ATOM 0 HG LEU A 20 7.007 2.170 -1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.897 3.944 -0.363 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.749 3.029 -1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.832 2.728 0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.950 2.849 0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 20 7.020 1.562 1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 20 8.288 1.142 0.139 1.00 0.00 H new ATOM 235 N LYS A 21 6.097 -2.727 -0.545 1.00 0.00 N ATOM 236 CA LYS A 21 5.475 -4.039 -0.574 1.00 0.00 C ATOM 237 C LYS A 21 4.123 -3.974 0.139 1.00 0.00 C ATOM 238 O LYS A 21 4.066 -3.774 1.352 1.00 0.00 O ATOM 239 CB LYS A 21 6.423 -5.094 0.000 1.00 0.00 C ATOM 240 CG LYS A 21 7.104 -5.886 -1.118 1.00 0.00 C ATOM 241 CD LYS A 21 8.586 -6.107 -0.809 1.00 0.00 C ATOM 242 CE LYS A 21 9.471 -5.495 -1.897 1.00 0.00 C ATOM 243 NZ LYS A 21 10.901 -5.699 -1.578 1.00 0.00 N ATOM 0 H LYS A 21 6.543 -2.486 0.340 1.00 0.00 H new ATOM 0 HA LYS A 21 5.279 -4.345 -1.602 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.178 -4.611 0.620 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.868 -5.774 0.646 1.00 0.00 H new ATOM 0 HG2 LYS A 21 6.607 -6.848 -1.241 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.002 -5.351 -2.062 1.00 0.00 H new ATOM 0 HD2 LYS A 21 8.830 -5.662 0.156 1.00 0.00 H new ATOM 0 HD3 LYS A 21 8.789 -7.175 -0.728 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.239 -5.949 -2.861 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.261 -4.429 -1.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.487 -5.278 -2.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.122 -5.245 -0.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.101 -6.718 -1.514 1.00 0.00 H new ATOM 257 N ILE A 22 3.068 -4.147 -0.643 1.00 0.00 N ATOM 258 CA ILE A 22 1.720 -4.110 -0.102 1.00 0.00 C ATOM 259 C ILE A 22 1.453 -5.400 0.677 1.00 0.00 C ATOM 260 O ILE A 22 0.849 -6.333 0.152 1.00 0.00 O ATOM 261 CB ILE A 22 0.703 -3.842 -1.213 1.00 0.00 C ATOM 262 CG1 ILE A 22 1.185 -2.722 -2.138 1.00 0.00 C ATOM 263 CG2 ILE A 22 -0.680 -3.548 -0.630 1.00 0.00 C ATOM 264 CD1 ILE A 22 1.479 -1.446 -1.347 1.00 0.00 C ATOM 0 H ILE A 22 3.119 -4.313 -1.648 1.00 0.00 H new ATOM 0 HA ILE A 22 1.614 -3.284 0.601 1.00 0.00 H new ATOM 0 HB ILE A 22 0.612 -4.744 -1.819 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.084 -3.042 -2.665 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.427 -2.519 -2.894 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.384 -3.361 -1.441 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.018 -4.404 -0.046 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.625 -2.669 0.013 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.820 -0.666 -2.028 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.572 -1.115 -0.841 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.255 -1.647 -0.608 1.00 0.00 H new ATOM 276 N ILE A 23 1.917 -5.410 1.919 1.00 0.00 N ATOM 277 CA ILE A 23 1.736 -6.570 2.775 1.00 0.00 C ATOM 278 C ILE A 23 0.277 -6.640 3.229 1.00 0.00 C ATOM 279 O ILE A 23 -0.283 -5.645 3.688 1.00 0.00 O ATOM 280 CB ILE A 23 2.739 -6.544 3.931 1.00 0.00 C ATOM 281 CG1 ILE A 23 4.167 -6.362 3.413 1.00 0.00 C ATOM 282 CG2 ILE A 23 2.601 -7.793 4.804 1.00 0.00 C ATOM 283 CD1 ILE A 23 4.655 -7.622 2.696 1.00 0.00 C ATOM 0 H ILE A 23 2.417 -4.634 2.352 1.00 0.00 H new ATOM 0 HA ILE A 23 1.943 -7.487 2.223 1.00 0.00 H new ATOM 0 HB ILE A 23 2.513 -5.684 4.561 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.205 -5.513 2.730 1.00 0.00 H new ATOM 0 HG13 ILE A 23 4.833 -6.132 4.245 1.00 0.00 H new ATOM 0 HG21 ILE A 23 3.325 -7.750 5.618 1.00 0.00 H new ATOM 0 HG22 ILE A 23 1.593 -7.839 5.217 1.00 0.00 H new ATOM 0 HG23 ILE A 23 2.787 -8.681 4.200 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.673 -7.466 2.338 1.00 0.00 H new ATOM 0 HD12 ILE A 23 4.639 -8.464 3.388 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.001 -7.836 1.850 1.00 0.00 H new ATOM 295 N TRP A 24 -0.298 -7.825 3.085 1.00 0.00 N ATOM 296 CA TRP A 24 -1.682 -8.038 3.474 1.00 0.00 C ATOM 297 C TRP A 24 -1.929 -9.547 3.536 1.00 0.00 C ATOM 298 O TRP A 24 -1.854 -10.234 2.519 1.00 0.00 O ATOM 299 CB TRP A 24 -2.637 -7.314 2.523 1.00 0.00 C ATOM 300 CG TRP A 24 -4.103 -7.363 2.957 1.00 0.00 C ATOM 301 CD1 TRP A 24 -4.593 -7.569 4.187 1.00 0.00 C ATOM 302 CD2 TRP A 24 -5.258 -7.191 2.108 1.00 0.00 C ATOM 303 NE1 TRP A 24 -5.973 -7.544 4.193 1.00 0.00 N ATOM 304 CE2 TRP A 24 -6.390 -7.307 2.888 1.00 0.00 C ATOM 305 CE3 TRP A 24 -5.342 -6.947 0.726 1.00 0.00 C ATOM 306 CZ2 TRP A 24 -7.688 -7.192 2.377 1.00 0.00 C ATOM 307 CZ3 TRP A 24 -6.647 -6.835 0.231 1.00 0.00 C ATOM 308 CH2 TRP A 24 -7.797 -6.948 1.003 1.00 0.00 C ATOM 0 H TRP A 24 0.169 -8.648 2.704 1.00 0.00 H new ATOM 0 HA TRP A 24 -1.875 -7.613 4.459 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -2.328 -6.272 2.438 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -2.548 -7.755 1.530 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -3.984 -7.734 5.064 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -6.576 -7.675 5.005 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -4.470 -6.853 0.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -8.559 -7.286 3.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -6.768 -6.648 -0.826 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -8.770 -6.848 0.545 1.00 0.00 H new ATOM 319 N ASN A 25 -2.218 -10.018 4.740 1.00 0.00 N ATOM 320 CA ASN A 25 -2.476 -11.432 4.948 1.00 0.00 C ATOM 321 C ASN A 25 -1.178 -12.217 4.754 1.00 0.00 C ATOM 322 O ASN A 25 -0.561 -12.653 5.725 1.00 0.00 O ATOM 323 CB ASN A 25 -3.502 -11.959 3.942 1.00 0.00 C ATOM 324 CG ASN A 25 -4.797 -12.372 4.644 1.00 0.00 C ATOM 325 OD1 ASN A 25 -4.793 -12.993 5.695 1.00 0.00 O ATOM 326 ND2 ASN A 25 -5.902 -11.995 4.007 1.00 0.00 N ATOM 0 H ASN A 25 -2.279 -9.445 5.582 1.00 0.00 H new ATOM 0 HA ASN A 25 -2.864 -11.558 5.959 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.716 -11.190 3.199 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.086 -12.813 3.407 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -6.817 -12.224 4.395 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.834 -11.477 3.131 1.00 0.00 H new ATOM 333 N LYS A 26 -0.801 -12.374 3.494 1.00 0.00 N ATOM 334 CA LYS A 26 0.413 -13.099 3.160 1.00 0.00 C ATOM 335 C LYS A 26 0.708 -12.933 1.668 1.00 0.00 C ATOM 336 O LYS A 26 1.106 -13.886 1.000 1.00 0.00 O ATOM 337 CB LYS A 26 0.306 -14.558 3.607 1.00 0.00 C ATOM 338 CG LYS A 26 -0.927 -15.229 2.998 1.00 0.00 C ATOM 339 CD LYS A 26 -1.699 -16.020 4.055 1.00 0.00 C ATOM 340 CE LYS A 26 -1.072 -17.399 4.274 1.00 0.00 C ATOM 341 NZ LYS A 26 -2.113 -18.394 4.615 1.00 0.00 N ATOM 0 H LYS A 26 -1.315 -12.011 2.691 1.00 0.00 H new ATOM 0 HA LYS A 26 1.264 -12.685 3.701 1.00 0.00 H new ATOM 0 HB2 LYS A 26 1.204 -15.100 3.309 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.251 -14.606 4.695 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.577 -14.473 2.558 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.622 -15.895 2.191 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.707 -15.467 4.994 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.737 -16.134 3.743 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.543 -17.712 3.374 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.335 -17.347 5.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -1.670 -19.324 4.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.600 -18.102 5.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.802 -18.456 3.838 1.00 0.00 H new ATOM 355 N THR A 27 0.501 -11.715 1.189 1.00 0.00 N ATOM 356 CA THR A 27 0.739 -11.411 -0.212 1.00 0.00 C ATOM 357 C THR A 27 1.745 -10.266 -0.346 1.00 0.00 C ATOM 358 O THR A 27 1.960 -9.511 0.600 1.00 0.00 O ATOM 359 CB THR A 27 -0.611 -11.115 -0.868 1.00 0.00 C ATOM 360 OG1 THR A 27 -1.337 -10.410 0.135 1.00 0.00 O ATOM 361 CG2 THR A 27 -1.437 -12.380 -1.106 1.00 0.00 C ATOM 0 H THR A 27 0.171 -10.927 1.746 1.00 0.00 H new ATOM 0 HA THR A 27 1.189 -12.258 -0.730 1.00 0.00 H new ATOM 0 HB THR A 27 -0.449 -10.604 -1.817 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.669 -11.044 0.805 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.385 -12.113 -1.573 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.887 -13.056 -1.761 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.629 -12.874 -0.153 1.00 0.00 H new ATOM 369 N LYS A 28 2.333 -10.173 -1.530 1.00 0.00 N ATOM 370 CA LYS A 28 3.311 -9.133 -1.800 1.00 0.00 C ATOM 371 C LYS A 28 3.061 -8.554 -3.194 1.00 0.00 C ATOM 372 O LYS A 28 3.434 -9.160 -4.197 1.00 0.00 O ATOM 373 CB LYS A 28 4.730 -9.667 -1.601 1.00 0.00 C ATOM 374 CG LYS A 28 4.967 -10.923 -2.442 1.00 0.00 C ATOM 375 CD LYS A 28 4.864 -12.185 -1.584 1.00 0.00 C ATOM 376 CE LYS A 28 5.286 -13.424 -2.377 1.00 0.00 C ATOM 377 NZ LYS A 28 4.443 -14.584 -2.013 1.00 0.00 N ATOM 0 H LYS A 28 2.151 -10.801 -2.313 1.00 0.00 H new ATOM 0 HA LYS A 28 3.202 -8.313 -1.090 1.00 0.00 H new ATOM 0 HB2 LYS A 28 5.453 -8.899 -1.876 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.892 -9.895 -0.547 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.236 -10.967 -3.250 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.952 -10.874 -2.906 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.495 -12.081 -0.701 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.840 -12.306 -1.231 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.200 -13.226 -3.445 1.00 0.00 H new ATOM 0 HE3 LYS A 28 6.333 -13.651 -2.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 4.743 -15.416 -2.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.545 -14.782 -0.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.448 -14.370 -2.225 1.00 0.00 H new ATOM 391 N HIS A 29 2.432 -7.388 -3.212 1.00 0.00 N ATOM 392 CA HIS A 29 2.128 -6.721 -4.466 1.00 0.00 C ATOM 393 C HIS A 29 3.112 -5.570 -4.687 1.00 0.00 C ATOM 394 O HIS A 29 3.086 -4.579 -3.960 1.00 0.00 O ATOM 395 CB HIS A 29 0.667 -6.267 -4.500 1.00 0.00 C ATOM 396 CG HIS A 29 -0.329 -7.393 -4.363 1.00 0.00 C ATOM 397 ND1 HIS A 29 -0.255 -8.555 -5.111 1.00 0.00 N ATOM 398 CD2 HIS A 29 -1.423 -7.523 -3.558 1.00 0.00 C ATOM 399 CE1 HIS A 29 -1.263 -9.341 -4.764 1.00 0.00 C ATOM 400 NE2 HIS A 29 -1.986 -8.699 -3.802 1.00 0.00 N ATOM 0 H HIS A 29 2.125 -6.888 -2.378 1.00 0.00 H new ATOM 0 HA HIS A 29 2.250 -7.421 -5.293 1.00 0.00 H new ATOM 0 HB2 HIS A 29 0.501 -5.549 -3.696 1.00 0.00 H new ATOM 0 HB3 HIS A 29 0.482 -5.744 -5.438 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -1.771 -6.792 -2.843 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.475 -10.319 -5.171 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -2.822 -9.063 -3.345 1.00 0.00 H new ATOM 408 N ASP A 30 3.956 -5.741 -5.694 1.00 0.00 N ATOM 409 CA ASP A 30 4.947 -4.729 -6.019 1.00 0.00 C ATOM 410 C ASP A 30 4.254 -3.541 -6.689 1.00 0.00 C ATOM 411 O ASP A 30 3.727 -3.667 -7.794 1.00 0.00 O ATOM 412 CB ASP A 30 5.994 -5.276 -6.992 1.00 0.00 C ATOM 413 CG ASP A 30 5.425 -6.000 -8.214 1.00 0.00 C ATOM 414 OD1 ASP A 30 4.897 -7.116 -8.018 1.00 0.00 O ATOM 415 OD2 ASP A 30 5.531 -5.421 -9.317 1.00 0.00 O ATOM 0 H ASP A 30 3.974 -6.565 -6.295 1.00 0.00 H new ATOM 0 HA ASP A 30 5.438 -4.427 -5.094 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.616 -4.449 -7.335 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.646 -5.963 -6.452 1.00 0.00 H new ATOM 420 N VAL A 31 4.278 -2.413 -5.993 1.00 0.00 N ATOM 421 CA VAL A 31 3.659 -1.204 -6.507 1.00 0.00 C ATOM 422 C VAL A 31 4.617 -0.026 -6.318 1.00 0.00 C ATOM 423 O VAL A 31 5.303 0.064 -5.300 1.00 0.00 O ATOM 424 CB VAL A 31 2.302 -0.984 -5.836 1.00 0.00 C ATOM 425 CG1 VAL A 31 1.271 -1.996 -6.341 1.00 0.00 C ATOM 426 CG2 VAL A 31 2.428 -1.043 -4.313 1.00 0.00 C ATOM 0 H VAL A 31 4.717 -2.312 -5.078 1.00 0.00 H new ATOM 0 HA VAL A 31 3.466 -1.299 -7.576 1.00 0.00 H new ATOM 0 HB VAL A 31 1.952 0.013 -6.105 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.315 -1.818 -5.849 1.00 0.00 H new ATOM 0 HG12 VAL A 31 1.150 -1.885 -7.419 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.612 -3.006 -6.116 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.449 -0.884 -3.860 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.810 -2.020 -4.017 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.115 -0.267 -3.974 1.00 0.00 H new ATOM 436 N LYS A 32 4.633 0.849 -7.313 1.00 0.00 N ATOM 437 CA LYS A 32 5.496 2.017 -7.268 1.00 0.00 C ATOM 438 C LYS A 32 4.639 3.271 -7.077 1.00 0.00 C ATOM 439 O LYS A 32 3.788 3.578 -7.910 1.00 0.00 O ATOM 440 CB LYS A 32 6.393 2.068 -8.506 1.00 0.00 C ATOM 441 CG LYS A 32 5.619 2.577 -9.724 1.00 0.00 C ATOM 442 CD LYS A 32 6.323 2.183 -11.024 1.00 0.00 C ATOM 443 CE LYS A 32 5.358 2.241 -12.210 1.00 0.00 C ATOM 444 NZ LYS A 32 6.020 1.756 -13.441 1.00 0.00 N ATOM 0 H LYS A 32 4.062 0.772 -8.155 1.00 0.00 H new ATOM 0 HA LYS A 32 6.172 1.959 -6.415 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.246 2.719 -8.315 1.00 0.00 H new ATOM 0 HB3 LYS A 32 6.790 1.074 -8.713 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.609 2.168 -9.715 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.524 3.662 -9.672 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.165 2.852 -11.203 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.730 1.176 -10.931 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.478 1.634 -12.000 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.012 3.264 -12.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.351 1.802 -14.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.846 2.352 -13.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.328 0.772 -13.305 1.00 0.00 H new ATOM 458 N VAL A 33 4.895 3.962 -5.976 1.00 0.00 N ATOM 459 CA VAL A 33 4.158 5.175 -5.665 1.00 0.00 C ATOM 460 C VAL A 33 5.143 6.279 -5.276 1.00 0.00 C ATOM 461 O VAL A 33 6.228 5.997 -4.768 1.00 0.00 O ATOM 462 CB VAL A 33 3.118 4.892 -4.580 1.00 0.00 C ATOM 463 CG1 VAL A 33 2.325 3.622 -4.898 1.00 0.00 C ATOM 464 CG2 VAL A 33 3.775 4.796 -3.202 1.00 0.00 C ATOM 0 H VAL A 33 5.603 3.705 -5.288 1.00 0.00 H new ATOM 0 HA VAL A 33 3.608 5.523 -6.540 1.00 0.00 H new ATOM 0 HB VAL A 33 2.419 5.728 -4.561 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.592 3.444 -4.111 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.811 3.743 -5.851 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.006 2.773 -4.959 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.013 4.594 -2.449 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.507 3.988 -3.203 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.274 5.737 -2.970 1.00 0.00 H new ATOM 474 N PRO A 34 4.720 7.545 -5.535 1.00 0.00 N ATOM 475 CA PRO A 34 5.552 8.693 -5.217 1.00 0.00 C ATOM 476 C PRO A 34 5.558 8.966 -3.712 1.00 0.00 C ATOM 477 O PRO A 34 4.575 8.691 -3.024 1.00 0.00 O ATOM 478 CB PRO A 34 4.968 9.839 -6.027 1.00 0.00 C ATOM 479 CG PRO A 34 3.560 9.407 -6.403 1.00 0.00 C ATOM 480 CD PRO A 34 3.442 7.916 -6.135 1.00 0.00 C ATOM 0 HA PRO A 34 6.600 8.536 -5.472 1.00 0.00 H new ATOM 0 HB2 PRO A 34 4.952 10.760 -5.445 1.00 0.00 H new ATOM 0 HB3 PRO A 34 5.567 10.034 -6.916 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.823 9.959 -5.820 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.362 9.623 -7.453 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.611 7.699 -5.463 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.261 7.361 -7.056 1.00 0.00 H new ATOM 488 N LEU A 35 6.675 9.503 -3.244 1.00 0.00 N ATOM 489 CA LEU A 35 6.821 9.816 -1.833 1.00 0.00 C ATOM 490 C LEU A 35 5.982 11.051 -1.499 1.00 0.00 C ATOM 491 O LEU A 35 5.734 11.340 -0.330 1.00 0.00 O ATOM 492 CB LEU A 35 8.300 9.960 -1.466 1.00 0.00 C ATOM 493 CG LEU A 35 8.744 9.255 -0.183 1.00 0.00 C ATOM 494 CD1 LEU A 35 8.261 7.804 -0.158 1.00 0.00 C ATOM 495 CD2 LEU A 35 10.260 9.358 0.002 1.00 0.00 C ATOM 0 H LEU A 35 7.488 9.729 -3.817 1.00 0.00 H new ATOM 0 HA LEU A 35 6.442 8.998 -1.221 1.00 0.00 H new ATOM 0 HB2 LEU A 35 8.898 9.577 -2.293 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.529 11.022 -1.372 1.00 0.00 H new ATOM 0 HG LEU A 35 8.280 9.762 0.663 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.591 7.327 0.765 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.172 7.782 -0.209 1.00 0.00 H new ATOM 0 HD13 LEU A 35 8.675 7.268 -1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.550 8.849 0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 35 10.762 8.891 -0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 35 10.549 10.407 0.062 1.00 0.00 H new ATOM 507 N ASP A 36 5.568 11.747 -2.548 1.00 0.00 N ATOM 508 CA ASP A 36 4.762 12.944 -2.381 1.00 0.00 C ATOM 509 C ASP A 36 3.383 12.555 -1.846 1.00 0.00 C ATOM 510 O ASP A 36 2.646 13.402 -1.344 1.00 0.00 O ATOM 511 CB ASP A 36 4.565 13.666 -3.716 1.00 0.00 C ATOM 512 CG ASP A 36 3.331 14.567 -3.787 1.00 0.00 C ATOM 513 OD1 ASP A 36 2.266 14.042 -4.177 1.00 0.00 O ATOM 514 OD2 ASP A 36 3.480 15.762 -3.450 1.00 0.00 O ATOM 0 H ASP A 36 5.776 11.505 -3.517 1.00 0.00 H new ATOM 0 HA ASP A 36 5.280 13.605 -1.686 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.449 14.270 -3.919 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.498 12.921 -4.509 1.00 0.00 H new ATOM 519 N SER A 37 3.076 11.272 -1.971 1.00 0.00 N ATOM 520 CA SER A 37 1.798 10.760 -1.506 1.00 0.00 C ATOM 521 C SER A 37 1.643 11.023 -0.007 1.00 0.00 C ATOM 522 O SER A 37 2.544 10.724 0.776 1.00 0.00 O ATOM 523 CB SER A 37 1.664 9.264 -1.799 1.00 0.00 C ATOM 524 OG SER A 37 0.942 9.018 -3.003 1.00 0.00 O ATOM 0 H SER A 37 3.690 10.572 -2.387 1.00 0.00 H new ATOM 0 HA SER A 37 1.005 11.280 -2.044 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.656 8.819 -1.874 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.158 8.775 -0.966 1.00 0.00 H new ATOM 0 HG SER A 37 0.107 9.532 -2.995 1.00 0.00 H new ATOM 530 N THR A 38 0.494 11.579 0.348 1.00 0.00 N ATOM 531 CA THR A 38 0.209 11.885 1.740 1.00 0.00 C ATOM 532 C THR A 38 -0.077 10.601 2.521 1.00 0.00 C ATOM 533 O THR A 38 -0.640 9.652 1.977 1.00 0.00 O ATOM 534 CB THR A 38 -0.945 12.889 1.776 1.00 0.00 C ATOM 535 OG1 THR A 38 -2.053 12.163 1.251 1.00 0.00 O ATOM 536 CG2 THR A 38 -0.751 14.040 0.787 1.00 0.00 C ATOM 0 H THR A 38 -0.251 11.826 -0.304 1.00 0.00 H new ATOM 0 HA THR A 38 1.070 12.340 2.230 1.00 0.00 H new ATOM 0 HB THR A 38 -1.045 13.290 2.784 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.725 12.039 1.953 1.00 0.00 H new ATOM 0 HG21 THR A 38 -1.598 14.723 0.853 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.167 14.576 1.028 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.684 13.642 -0.226 1.00 0.00 H new ATOM 544 N GLY A 39 0.324 10.613 3.784 1.00 0.00 N ATOM 545 CA GLY A 39 0.117 9.462 4.645 1.00 0.00 C ATOM 546 C GLY A 39 -1.290 8.888 4.466 1.00 0.00 C ATOM 547 O GLY A 39 -1.516 7.703 4.705 1.00 0.00 O ATOM 0 H GLY A 39 0.791 11.402 4.231 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.858 8.695 4.417 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.266 9.750 5.686 1.00 0.00 H new ATOM 551 N SER A 40 -2.199 9.756 4.047 1.00 0.00 N ATOM 552 CA SER A 40 -3.578 9.350 3.833 1.00 0.00 C ATOM 553 C SER A 40 -3.718 8.670 2.470 1.00 0.00 C ATOM 554 O SER A 40 -4.402 7.656 2.345 1.00 0.00 O ATOM 555 CB SER A 40 -4.525 10.548 3.929 1.00 0.00 C ATOM 556 OG SER A 40 -5.873 10.145 4.158 1.00 0.00 O ATOM 0 H SER A 40 -2.008 10.738 3.850 1.00 0.00 H new ATOM 0 HA SER A 40 -3.852 8.641 4.615 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.200 11.203 4.737 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.471 11.128 3.007 1.00 0.00 H new ATOM 0 HG SER A 40 -5.910 9.556 4.941 1.00 0.00 H new ATOM 562 N GLU A 41 -3.058 9.256 1.481 1.00 0.00 N ATOM 563 CA GLU A 41 -3.100 8.720 0.132 1.00 0.00 C ATOM 564 C GLU A 41 -2.839 7.212 0.151 1.00 0.00 C ATOM 565 O GLU A 41 -3.425 6.467 -0.631 1.00 0.00 O ATOM 566 CB GLU A 41 -2.100 9.438 -0.776 1.00 0.00 C ATOM 567 CG GLU A 41 -2.760 10.616 -1.495 1.00 0.00 C ATOM 568 CD GLU A 41 -1.898 11.097 -2.664 1.00 0.00 C ATOM 569 OE1 GLU A 41 -1.772 10.319 -3.634 1.00 0.00 O ATOM 570 OE2 GLU A 41 -1.384 12.232 -2.562 1.00 0.00 O ATOM 0 H GLU A 41 -2.491 10.097 1.588 1.00 0.00 H new ATOM 0 HA GLU A 41 -4.097 8.892 -0.274 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.257 9.795 -0.184 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.701 8.737 -1.509 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.743 10.319 -1.861 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.916 11.435 -0.792 1.00 0.00 H new ATOM 577 N LEU A 42 -1.957 6.809 1.054 1.00 0.00 N ATOM 578 CA LEU A 42 -1.610 5.404 1.186 1.00 0.00 C ATOM 579 C LEU A 42 -2.886 4.561 1.134 1.00 0.00 C ATOM 580 O LEU A 42 -2.983 3.623 0.345 1.00 0.00 O ATOM 581 CB LEU A 42 -0.773 5.175 2.446 1.00 0.00 C ATOM 582 CG LEU A 42 0.745 5.185 2.253 1.00 0.00 C ATOM 583 CD1 LEU A 42 1.460 5.562 3.552 1.00 0.00 C ATOM 584 CD2 LEU A 42 1.236 3.847 1.696 1.00 0.00 C ATOM 0 H LEU A 42 -1.472 7.431 1.701 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.983 5.087 0.353 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.032 5.943 3.175 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -1.058 4.216 2.879 1.00 0.00 H new ATOM 0 HG LEU A 42 0.991 5.950 1.516 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.538 5.562 3.388 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.141 6.555 3.868 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.211 4.838 4.328 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.318 3.881 1.568 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.977 3.047 2.390 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.763 3.658 0.732 1.00 0.00 H new ATOM 596 N LYS A 43 -3.834 4.927 1.985 1.00 0.00 N ATOM 597 CA LYS A 43 -5.100 4.216 2.046 1.00 0.00 C ATOM 598 C LYS A 43 -5.640 4.024 0.628 1.00 0.00 C ATOM 599 O LYS A 43 -5.832 2.894 0.181 1.00 0.00 O ATOM 600 CB LYS A 43 -6.073 4.934 2.983 1.00 0.00 C ATOM 601 CG LYS A 43 -5.773 4.600 4.446 1.00 0.00 C ATOM 602 CD LYS A 43 -4.499 5.304 4.919 1.00 0.00 C ATOM 603 CE LYS A 43 -4.459 5.397 6.446 1.00 0.00 C ATOM 604 NZ LYS A 43 -4.679 6.793 6.886 1.00 0.00 N ATOM 0 H LYS A 43 -3.751 5.706 2.638 1.00 0.00 H new ATOM 0 HA LYS A 43 -4.959 3.222 2.471 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.003 6.011 2.830 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.096 4.644 2.742 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -6.613 4.902 5.071 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -5.661 3.522 4.561 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.625 4.761 4.561 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.451 6.304 4.489 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.223 4.749 6.876 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.496 5.041 6.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.649 6.838 7.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -3.935 7.403 6.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.608 7.120 6.552 1.00 0.00 H new ATOM 618 N GLN A 44 -5.872 5.145 -0.040 1.00 0.00 N ATOM 619 CA GLN A 44 -6.387 5.113 -1.398 1.00 0.00 C ATOM 620 C GLN A 44 -5.373 4.453 -2.335 1.00 0.00 C ATOM 621 O GLN A 44 -5.731 3.997 -3.420 1.00 0.00 O ATOM 622 CB GLN A 44 -6.744 6.520 -1.881 1.00 0.00 C ATOM 623 CG GLN A 44 -7.867 7.122 -1.034 1.00 0.00 C ATOM 624 CD GLN A 44 -9.190 7.132 -1.804 1.00 0.00 C ATOM 625 OE1 GLN A 44 -9.228 7.118 -3.023 1.00 0.00 O ATOM 626 NE2 GLN A 44 -10.268 7.157 -1.026 1.00 0.00 N ATOM 0 H GLN A 44 -5.713 6.080 0.334 1.00 0.00 H new ATOM 0 HA GLN A 44 -7.300 4.518 -1.406 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.863 7.160 -1.831 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.052 6.482 -2.926 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -7.982 6.548 -0.115 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -7.603 8.139 -0.744 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -10.165 7.168 -0.011 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -11.198 7.166 -1.444 1.00 0.00 H new ATOM 635 N LYS A 45 -4.129 4.423 -1.882 1.00 0.00 N ATOM 636 CA LYS A 45 -3.061 3.826 -2.666 1.00 0.00 C ATOM 637 C LYS A 45 -3.103 2.305 -2.503 1.00 0.00 C ATOM 638 O LYS A 45 -2.737 1.569 -3.417 1.00 0.00 O ATOM 639 CB LYS A 45 -1.713 4.447 -2.296 1.00 0.00 C ATOM 640 CG LYS A 45 -1.029 5.046 -3.526 1.00 0.00 C ATOM 641 CD LYS A 45 -1.961 6.017 -4.253 1.00 0.00 C ATOM 642 CE LYS A 45 -2.329 5.489 -5.641 1.00 0.00 C ATOM 643 NZ LYS A 45 -3.781 5.640 -5.886 1.00 0.00 N ATOM 0 H LYS A 45 -3.836 4.803 -0.982 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.203 4.037 -3.726 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -1.860 5.222 -1.544 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -1.069 3.689 -1.851 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.120 5.566 -3.224 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.729 4.248 -4.205 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.867 6.166 -3.665 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.478 6.989 -4.346 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.768 6.030 -6.403 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.048 4.439 -5.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.972 5.554 -6.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.299 4.898 -5.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.094 6.574 -5.553 1.00 0.00 H new ATOM 657 N ILE A 46 -3.554 1.880 -1.332 1.00 0.00 N ATOM 658 CA ILE A 46 -3.649 0.460 -1.037 1.00 0.00 C ATOM 659 C ILE A 46 -5.018 -0.058 -1.481 1.00 0.00 C ATOM 660 O ILE A 46 -5.115 -1.122 -2.091 1.00 0.00 O ATOM 661 CB ILE A 46 -3.341 0.198 0.439 1.00 0.00 C ATOM 662 CG1 ILE A 46 -2.085 0.952 0.880 1.00 0.00 C ATOM 663 CG2 ILE A 46 -3.235 -1.303 0.718 1.00 0.00 C ATOM 664 CD1 ILE A 46 -2.300 1.630 2.234 1.00 0.00 C ATOM 0 H ILE A 46 -3.858 2.494 -0.576 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.899 -0.097 -1.599 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.171 0.580 1.034 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.245 0.260 0.945 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -1.824 1.700 0.132 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.016 -1.462 1.774 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.178 -1.787 0.466 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -2.435 -1.730 0.113 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.392 2.159 2.524 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.125 2.339 2.159 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.537 0.876 2.985 1.00 0.00 H new ATOM 676 N HIS A 47 -6.042 0.718 -1.157 1.00 0.00 N ATOM 677 CA HIS A 47 -7.401 0.350 -1.515 1.00 0.00 C ATOM 678 C HIS A 47 -7.499 0.157 -3.030 1.00 0.00 C ATOM 679 O HIS A 47 -8.307 -0.638 -3.507 1.00 0.00 O ATOM 680 CB HIS A 47 -8.401 1.380 -0.983 1.00 0.00 C ATOM 681 CG HIS A 47 -9.602 1.587 -1.874 1.00 0.00 C ATOM 682 ND1 HIS A 47 -9.802 2.744 -2.607 1.00 0.00 N ATOM 683 CD2 HIS A 47 -10.663 0.773 -2.143 1.00 0.00 C ATOM 684 CE1 HIS A 47 -10.936 2.621 -3.281 1.00 0.00 C ATOM 685 NE2 HIS A 47 -11.468 1.399 -2.992 1.00 0.00 N ATOM 0 H HIS A 47 -5.958 1.599 -0.651 1.00 0.00 H new ATOM 0 HA HIS A 47 -7.660 -0.599 -1.045 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -8.743 1.064 0.003 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -7.890 2.334 -0.852 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -10.821 -0.214 -1.734 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -11.364 3.359 -3.943 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -12.341 1.027 -3.367 1.00 0.00 H new ATOM 693 N SER A 48 -6.665 0.899 -3.744 1.00 0.00 N ATOM 694 CA SER A 48 -6.646 0.819 -5.194 1.00 0.00 C ATOM 695 C SER A 48 -6.124 -0.549 -5.637 1.00 0.00 C ATOM 696 O SER A 48 -6.297 -0.940 -6.791 1.00 0.00 O ATOM 697 CB SER A 48 -5.789 1.934 -5.797 1.00 0.00 C ATOM 698 OG SER A 48 -6.020 2.089 -7.194 1.00 0.00 O ATOM 0 H SER A 48 -5.997 1.559 -3.345 1.00 0.00 H new ATOM 0 HA SER A 48 -7.666 0.946 -5.556 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.005 2.873 -5.288 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.735 1.714 -5.626 1.00 0.00 H new ATOM 0 HG SER A 48 -6.207 1.214 -7.594 1.00 0.00 H new ATOM 704 N ILE A 49 -5.496 -1.240 -4.697 1.00 0.00 N ATOM 705 CA ILE A 49 -4.948 -2.556 -4.976 1.00 0.00 C ATOM 706 C ILE A 49 -5.706 -3.603 -4.158 1.00 0.00 C ATOM 707 O ILE A 49 -6.315 -4.513 -4.719 1.00 0.00 O ATOM 708 CB ILE A 49 -3.436 -2.568 -4.739 1.00 0.00 C ATOM 709 CG1 ILE A 49 -2.833 -1.182 -4.979 1.00 0.00 C ATOM 710 CG2 ILE A 49 -2.756 -3.643 -5.589 1.00 0.00 C ATOM 711 CD1 ILE A 49 -1.340 -1.168 -4.643 1.00 0.00 C ATOM 0 H ILE A 49 -5.355 -0.913 -3.741 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.085 -2.811 -6.027 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.256 -2.822 -3.694 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.978 -0.894 -6.020 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.354 -0.444 -4.369 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.682 -3.630 -5.401 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.158 -4.622 -5.328 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.942 -3.444 -6.644 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.936 -0.172 -4.822 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.200 -1.433 -3.595 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.819 -1.889 -5.272 1.00 0.00 H new ATOM 723 N THR A 50 -5.644 -3.441 -2.845 1.00 0.00 N ATOM 724 CA THR A 50 -6.317 -4.361 -1.944 1.00 0.00 C ATOM 725 C THR A 50 -7.793 -4.497 -2.325 1.00 0.00 C ATOM 726 O THR A 50 -8.378 -5.569 -2.184 1.00 0.00 O ATOM 727 CB THR A 50 -6.103 -3.863 -0.513 1.00 0.00 C ATOM 728 OG1 THR A 50 -6.397 -2.471 -0.582 1.00 0.00 O ATOM 729 CG2 THR A 50 -4.634 -3.914 -0.089 1.00 0.00 C ATOM 0 H THR A 50 -5.138 -2.686 -2.383 1.00 0.00 H new ATOM 0 HA THR A 50 -5.900 -5.365 -2.020 1.00 0.00 H new ATOM 0 HB THR A 50 -6.700 -4.464 0.173 1.00 0.00 H new ATOM 0 HG1 THR A 50 -6.244 -2.149 -1.495 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.538 -3.550 0.934 1.00 0.00 H new ATOM 0 HG22 THR A 50 -4.275 -4.942 -0.144 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.041 -3.287 -0.755 1.00 0.00 H new ATOM 737 N GLY A 51 -8.352 -3.394 -2.801 1.00 0.00 N ATOM 738 CA GLY A 51 -9.748 -3.376 -3.204 1.00 0.00 C ATOM 739 C GLY A 51 -10.670 -3.343 -1.984 1.00 0.00 C ATOM 740 O GLY A 51 -11.892 -3.314 -2.126 1.00 0.00 O ATOM 0 H GLY A 51 -7.863 -2.506 -2.917 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.938 -2.505 -3.832 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.968 -4.257 -3.807 1.00 0.00 H new ATOM 744 N LEU A 52 -10.050 -3.347 -0.813 1.00 0.00 N ATOM 745 CA LEU A 52 -10.801 -3.317 0.431 1.00 0.00 C ATOM 746 C LEU A 52 -11.005 -1.864 0.864 1.00 0.00 C ATOM 747 O LEU A 52 -10.374 -0.957 0.323 1.00 0.00 O ATOM 748 CB LEU A 52 -10.116 -4.184 1.490 1.00 0.00 C ATOM 749 CG LEU A 52 -9.274 -3.437 2.526 1.00 0.00 C ATOM 750 CD1 LEU A 52 -9.321 -4.142 3.883 1.00 0.00 C ATOM 751 CD2 LEU A 52 -7.839 -3.244 2.030 1.00 0.00 C ATOM 0 H LEU A 52 -9.037 -3.371 -0.699 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.791 -3.749 0.289 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.882 -4.753 2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -9.476 -4.905 0.982 1.00 0.00 H new ATOM 0 HG LEU A 52 -9.704 -2.445 2.664 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.714 -3.590 4.601 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.352 -4.184 4.236 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -8.931 -5.155 3.781 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.262 -2.710 2.785 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.384 -4.217 1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -7.848 -2.667 1.105 1.00 0.00 H new ATOM 763 N PRO A 53 -11.912 -1.683 1.861 1.00 0.00 N ATOM 764 CA PRO A 53 -12.207 -0.356 2.372 1.00 0.00 C ATOM 765 C PRO A 53 -11.073 0.153 3.265 1.00 0.00 C ATOM 766 O PRO A 53 -10.415 -0.632 3.946 1.00 0.00 O ATOM 767 CB PRO A 53 -13.526 -0.504 3.114 1.00 0.00 C ATOM 768 CG PRO A 53 -13.685 -1.991 3.387 1.00 0.00 C ATOM 769 CD PRO A 53 -12.678 -2.734 2.525 1.00 0.00 C ATOM 0 HA PRO A 53 -12.291 0.390 1.581 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -13.517 0.065 4.044 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -14.355 -0.126 2.516 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -13.516 -2.205 4.442 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -14.699 -2.315 3.154 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -12.033 -3.372 3.130 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -13.176 -3.379 1.801 1.00 0.00 H new ATOM 777 N PRO A 54 -10.874 1.498 3.231 1.00 0.00 N ATOM 778 CA PRO A 54 -9.831 2.120 4.029 1.00 0.00 C ATOM 779 C PRO A 54 -10.232 2.181 5.504 1.00 0.00 C ATOM 780 O PRO A 54 -9.377 2.115 6.387 1.00 0.00 O ATOM 781 CB PRO A 54 -9.629 3.494 3.410 1.00 0.00 C ATOM 782 CG PRO A 54 -10.879 3.768 2.590 1.00 0.00 C ATOM 783 CD PRO A 54 -11.633 2.458 2.436 1.00 0.00 C ATOM 0 HA PRO A 54 -8.900 1.553 4.020 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -9.493 4.253 4.180 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -8.738 3.513 2.782 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.504 4.512 3.084 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -10.614 4.173 1.613 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.658 2.547 2.795 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -11.687 2.152 1.391 1.00 0.00 H new ATOM 791 N ALA A 55 -11.532 2.307 5.726 1.00 0.00 N ATOM 792 CA ALA A 55 -12.056 2.378 7.079 1.00 0.00 C ATOM 793 C ALA A 55 -11.648 1.119 7.847 1.00 0.00 C ATOM 794 O ALA A 55 -11.466 1.160 9.063 1.00 0.00 O ATOM 795 CB ALA A 55 -13.574 2.563 7.030 1.00 0.00 C ATOM 0 H ALA A 55 -12.238 2.362 4.992 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.639 3.236 7.606 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -13.967 2.616 8.045 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -13.811 3.486 6.500 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.027 1.719 6.509 1.00 0.00 H new ATOM 801 N MET A 56 -11.516 0.029 7.105 1.00 0.00 N ATOM 802 CA MET A 56 -11.132 -1.240 7.701 1.00 0.00 C ATOM 803 C MET A 56 -9.713 -1.633 7.286 1.00 0.00 C ATOM 804 O MET A 56 -9.424 -2.813 7.090 1.00 0.00 O ATOM 805 CB MET A 56 -12.113 -2.328 7.260 1.00 0.00 C ATOM 806 CG MET A 56 -13.127 -2.633 8.366 1.00 0.00 C ATOM 807 SD MET A 56 -12.428 -3.789 9.532 1.00 0.00 S ATOM 808 CE MET A 56 -13.011 -3.077 11.062 1.00 0.00 C ATOM 0 H MET A 56 -11.668 -0.002 6.097 1.00 0.00 H new ATOM 0 HA MET A 56 -11.157 -1.134 8.786 1.00 0.00 H new ATOM 0 HB2 MET A 56 -12.637 -2.007 6.360 1.00 0.00 H new ATOM 0 HB3 MET A 56 -11.565 -3.235 7.004 1.00 0.00 H new ATOM 0 HG2 MET A 56 -13.408 -1.712 8.878 1.00 0.00 H new ATOM 0 HG3 MET A 56 -14.037 -3.047 7.932 1.00 0.00 H new ATOM 0 HE1 MET A 56 -12.662 -3.680 11.900 1.00 0.00 H new ATOM 0 HE2 MET A 56 -12.627 -2.062 11.161 1.00 0.00 H new ATOM 0 HE3 MET A 56 -14.101 -3.054 11.061 1.00 0.00 H new ATOM 818 N GLN A 57 -8.865 -0.623 7.164 1.00 0.00 N ATOM 819 CA GLN A 57 -7.483 -0.848 6.777 1.00 0.00 C ATOM 820 C GLN A 57 -6.551 -0.607 7.966 1.00 0.00 C ATOM 821 O GLN A 57 -6.944 0.020 8.949 1.00 0.00 O ATOM 822 CB GLN A 57 -7.096 0.035 5.589 1.00 0.00 C ATOM 823 CG GLN A 57 -7.194 -0.741 4.274 1.00 0.00 C ATOM 824 CD GLN A 57 -6.249 -0.157 3.221 1.00 0.00 C ATOM 825 OE1 GLN A 57 -5.059 0.002 3.438 1.00 0.00 O ATOM 826 NE2 GLN A 57 -6.843 0.152 2.072 1.00 0.00 N ATOM 0 H GLN A 57 -9.108 0.354 7.326 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.379 -1.887 6.465 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.750 0.906 5.551 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -6.079 0.405 5.722 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.949 -1.789 4.447 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -8.219 -0.710 3.905 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.844 -0.007 1.956 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -6.298 0.548 1.306 1.00 0.00 H new ATOM 835 N LYS A 58 -5.335 -1.117 7.838 1.00 0.00 N ATOM 836 CA LYS A 58 -4.345 -0.965 8.890 1.00 0.00 C ATOM 837 C LYS A 58 -3.047 -0.423 8.288 1.00 0.00 C ATOM 838 O LYS A 58 -2.310 -1.155 7.631 1.00 0.00 O ATOM 839 CB LYS A 58 -4.167 -2.279 9.653 1.00 0.00 C ATOM 840 CG LYS A 58 -4.348 -2.069 11.158 1.00 0.00 C ATOM 841 CD LYS A 58 -3.046 -1.591 11.804 1.00 0.00 C ATOM 842 CE LYS A 58 -3.143 -0.119 12.210 1.00 0.00 C ATOM 843 NZ LYS A 58 -3.002 0.025 13.676 1.00 0.00 N ATOM 0 H LYS A 58 -5.013 -1.636 7.021 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.683 -0.238 9.629 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.890 -3.012 9.295 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.175 -2.687 9.456 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.136 -1.337 11.335 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.668 -3.001 11.623 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.826 -2.200 12.681 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.219 -1.726 11.107 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.366 0.455 11.706 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.101 0.290 11.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.070 1.030 13.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.759 -0.507 14.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.078 -0.347 13.974 1.00 0.00 H new ATOM 857 N VAL A 59 -2.808 0.857 8.535 1.00 0.00 N ATOM 858 CA VAL A 59 -1.612 1.506 8.025 1.00 0.00 C ATOM 859 C VAL A 59 -0.657 1.791 9.186 1.00 0.00 C ATOM 860 O VAL A 59 -0.903 2.689 9.991 1.00 0.00 O ATOM 861 CB VAL A 59 -1.992 2.764 7.242 1.00 0.00 C ATOM 862 CG1 VAL A 59 -0.907 3.128 6.227 1.00 0.00 C ATOM 863 CG2 VAL A 59 -3.349 2.594 6.556 1.00 0.00 C ATOM 0 H VAL A 59 -3.422 1.461 9.081 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.090 0.850 7.328 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.076 3.587 7.952 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.203 4.026 5.684 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.032 3.312 6.749 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.776 2.306 5.524 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -3.595 3.503 6.006 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -3.304 1.753 5.865 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.116 2.406 7.308 1.00 0.00 H new ATOM 873 N MET A 60 0.412 1.009 9.237 1.00 0.00 N ATOM 874 CA MET A 60 1.404 1.166 10.287 1.00 0.00 C ATOM 875 C MET A 60 2.816 0.930 9.746 1.00 0.00 C ATOM 876 O MET A 60 3.119 -0.151 9.242 1.00 0.00 O ATOM 877 CB MET A 60 1.116 0.173 11.414 1.00 0.00 C ATOM 878 CG MET A 60 0.534 0.886 12.637 1.00 0.00 C ATOM 879 SD MET A 60 0.835 -0.081 14.107 1.00 0.00 S ATOM 880 CE MET A 60 2.184 0.847 14.818 1.00 0.00 C ATOM 0 H MET A 60 0.612 0.265 8.568 1.00 0.00 H new ATOM 0 HA MET A 60 1.346 2.186 10.667 1.00 0.00 H new ATOM 0 HB2 MET A 60 0.417 -0.587 11.064 1.00 0.00 H new ATOM 0 HB3 MET A 60 2.035 -0.343 11.692 1.00 0.00 H new ATOM 0 HG2 MET A 60 0.985 1.873 12.742 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.537 1.038 12.504 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.921 0.159 15.232 1.00 0.00 H new ATOM 0 HE2 MET A 60 2.652 1.458 14.046 1.00 0.00 H new ATOM 0 HE3 MET A 60 1.804 1.492 15.610 1.00 0.00 H new ATOM 890 N TYR A 61 3.642 1.958 9.869 1.00 0.00 N ATOM 891 CA TYR A 61 5.014 1.876 9.399 1.00 0.00 C ATOM 892 C TYR A 61 5.996 2.284 10.500 1.00 0.00 C ATOM 893 O TYR A 61 6.170 3.470 10.773 1.00 0.00 O ATOM 894 CB TYR A 61 5.124 2.870 8.241 1.00 0.00 C ATOM 895 CG TYR A 61 6.426 2.757 7.446 1.00 0.00 C ATOM 896 CD1 TYR A 61 7.636 2.995 8.066 1.00 0.00 C ATOM 897 CD2 TYR A 61 6.391 2.419 6.108 1.00 0.00 C ATOM 898 CE1 TYR A 61 8.861 2.889 7.317 1.00 0.00 C ATOM 899 CE2 TYR A 61 7.616 2.313 5.359 1.00 0.00 C ATOM 900 CZ TYR A 61 8.791 2.553 6.001 1.00 0.00 C ATOM 901 OH TYR A 61 9.949 2.454 5.294 1.00 0.00 O ATOM 0 H TYR A 61 3.387 2.853 10.288 1.00 0.00 H new ATOM 0 HA TYR A 61 5.256 0.856 9.099 1.00 0.00 H new ATOM 0 HB2 TYR A 61 4.283 2.719 7.564 1.00 0.00 H new ATOM 0 HB3 TYR A 61 5.038 3.883 8.635 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.664 3.261 9.112 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.444 2.234 5.623 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.815 3.072 7.790 1.00 0.00 H new ATOM 0 HE2 TYR A 61 7.602 2.049 4.312 1.00 0.00 H new ATOM 0 HH TYR A 61 10.371 1.589 5.478 1.00 0.00 H new ATOM 911 N LYS A 62 6.612 1.277 11.102 1.00 0.00 N ATOM 912 CA LYS A 62 7.572 1.516 12.166 1.00 0.00 C ATOM 913 C LYS A 62 7.064 2.648 13.060 1.00 0.00 C ATOM 914 O LYS A 62 7.856 3.388 13.642 1.00 0.00 O ATOM 915 CB LYS A 62 8.965 1.768 11.585 1.00 0.00 C ATOM 916 CG LYS A 62 9.983 2.031 12.697 1.00 0.00 C ATOM 917 CD LYS A 62 11.311 1.331 12.400 1.00 0.00 C ATOM 918 CE LYS A 62 11.121 -0.183 12.294 1.00 0.00 C ATOM 919 NZ LYS A 62 12.164 -0.891 13.071 1.00 0.00 N ATOM 0 H LYS A 62 6.465 0.294 10.873 1.00 0.00 H new ATOM 0 HA LYS A 62 7.671 0.632 12.796 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.279 0.906 10.996 1.00 0.00 H new ATOM 0 HB3 LYS A 62 8.932 2.622 10.908 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.148 3.104 12.798 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.587 1.678 13.649 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.728 1.715 11.469 1.00 0.00 H new ATOM 0 HD3 LYS A 62 12.029 1.557 13.188 1.00 0.00 H new ATOM 0 HE2 LYS A 62 10.133 -0.459 12.664 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.167 -0.489 11.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.021 -1.918 12.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.103 -0.641 12.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.102 -0.612 14.071 1.00 0.00 H new ATOM 933 N GLY A 63 5.745 2.749 13.142 1.00 0.00 N ATOM 934 CA GLY A 63 5.122 3.780 13.955 1.00 0.00 C ATOM 935 C GLY A 63 3.879 4.345 13.266 1.00 0.00 C ATOM 936 O GLY A 63 3.675 4.131 12.072 1.00 0.00 O ATOM 0 H GLY A 63 5.091 2.134 12.659 1.00 0.00 H new ATOM 0 HA2 GLY A 63 4.848 3.367 14.926 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.836 4.583 14.141 1.00 0.00 H new ATOM 940 N LEU A 64 3.079 5.055 14.048 1.00 0.00 N ATOM 941 CA LEU A 64 1.861 5.653 13.528 1.00 0.00 C ATOM 942 C LEU A 64 2.199 6.506 12.303 1.00 0.00 C ATOM 943 O LEU A 64 3.182 7.245 12.309 1.00 0.00 O ATOM 944 CB LEU A 64 1.129 6.422 14.630 1.00 0.00 C ATOM 945 CG LEU A 64 0.440 5.570 15.698 1.00 0.00 C ATOM 946 CD1 LEU A 64 -1.030 5.332 15.346 1.00 0.00 C ATOM 947 CD2 LEU A 64 1.195 4.258 15.923 1.00 0.00 C ATOM 0 H LEU A 64 3.251 5.230 15.038 1.00 0.00 H new ATOM 0 HA LEU A 64 1.168 4.879 13.197 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.845 7.079 15.124 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.379 7.061 14.163 1.00 0.00 H new ATOM 0 HG LEU A 64 0.461 6.120 16.639 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.496 4.724 16.121 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.547 6.289 15.276 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.096 4.813 14.390 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.685 3.671 16.687 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.227 3.692 14.992 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.212 4.475 16.251 1.00 0.00 H new ATOM 959 N VAL A 65 1.365 6.375 11.282 1.00 0.00 N ATOM 960 CA VAL A 65 1.563 7.125 10.054 1.00 0.00 C ATOM 961 C VAL A 65 0.639 8.344 10.050 1.00 0.00 C ATOM 962 O VAL A 65 -0.583 8.202 10.022 1.00 0.00 O ATOM 963 CB VAL A 65 1.352 6.212 8.844 1.00 0.00 C ATOM 964 CG1 VAL A 65 1.106 7.031 7.575 1.00 0.00 C ATOM 965 CG2 VAL A 65 2.537 5.261 8.662 1.00 0.00 C ATOM 0 H VAL A 65 0.551 5.761 11.280 1.00 0.00 H new ATOM 0 HA VAL A 65 2.587 7.493 9.993 1.00 0.00 H new ATOM 0 HB VAL A 65 0.464 5.609 9.030 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.959 6.358 6.730 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.217 7.648 7.707 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.967 7.672 7.383 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.362 4.623 7.796 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.448 5.840 8.508 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.647 4.642 9.552 1.00 0.00 H new ATOM 975 N PRO A 66 1.274 9.547 10.081 1.00 0.00 N ATOM 976 CA PRO A 66 0.522 10.790 10.082 1.00 0.00 C ATOM 977 C PRO A 66 -0.048 11.088 8.694 1.00 0.00 C ATOM 978 O PRO A 66 0.668 11.011 7.696 1.00 0.00 O ATOM 979 CB PRO A 66 1.507 11.845 10.559 1.00 0.00 C ATOM 980 CG PRO A 66 2.889 11.243 10.362 1.00 0.00 C ATOM 981 CD PRO A 66 2.719 9.753 10.116 1.00 0.00 C ATOM 0 HA PRO A 66 -0.350 10.753 10.735 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.398 12.768 9.989 1.00 0.00 H new ATOM 0 HB3 PRO A 66 1.335 12.095 11.606 1.00 0.00 H new ATOM 0 HG2 PRO A 66 3.393 11.714 9.518 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.509 11.416 11.241 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.185 9.450 9.178 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.184 9.165 10.907 1.00 0.00 H new ATOM 989 N GLU A 67 -1.330 11.421 8.675 1.00 0.00 N ATOM 990 CA GLU A 67 -2.003 11.731 7.425 1.00 0.00 C ATOM 991 C GLU A 67 -1.679 13.160 6.987 1.00 0.00 C ATOM 992 O GLU A 67 -1.707 13.470 5.797 1.00 0.00 O ATOM 993 CB GLU A 67 -3.514 11.525 7.551 1.00 0.00 C ATOM 994 CG GLU A 67 -3.845 10.063 7.856 1.00 0.00 C ATOM 995 CD GLU A 67 -5.343 9.795 7.696 1.00 0.00 C ATOM 996 OE1 GLU A 67 -5.814 9.875 6.541 1.00 0.00 O ATOM 997 OE2 GLU A 67 -5.984 9.517 8.733 1.00 0.00 O ATOM 0 H GLU A 67 -1.920 11.483 9.505 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.638 11.047 6.659 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.907 12.163 8.343 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.004 11.827 6.625 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.282 9.412 7.187 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -3.535 9.821 8.873 1.00 0.00 H new ATOM 1004 N ASP A 68 -1.379 13.994 7.973 1.00 0.00 N ATOM 1005 CA ASP A 68 -1.050 15.383 7.704 1.00 0.00 C ATOM 1006 C ASP A 68 0.302 15.454 6.991 1.00 0.00 C ATOM 1007 O ASP A 68 0.538 16.355 6.188 1.00 0.00 O ATOM 1008 CB ASP A 68 -0.942 16.185 9.002 1.00 0.00 C ATOM 1009 CG ASP A 68 -1.899 17.374 9.110 1.00 0.00 C ATOM 1010 OD1 ASP A 68 -2.924 17.343 8.395 1.00 0.00 O ATOM 1011 OD2 ASP A 68 -1.584 18.286 9.904 1.00 0.00 O ATOM 0 H ASP A 68 -1.357 13.734 8.959 1.00 0.00 H new ATOM 0 HA ASP A 68 -1.843 15.803 7.085 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.124 15.514 9.842 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.080 16.551 9.101 1.00 0.00 H new ATOM 1016 N LYS A 69 1.154 14.491 7.310 1.00 0.00 N ATOM 1017 CA LYS A 69 2.476 14.432 6.709 1.00 0.00 C ATOM 1018 C LYS A 69 2.489 13.360 5.618 1.00 0.00 C ATOM 1019 O LYS A 69 1.657 12.454 5.623 1.00 0.00 O ATOM 1020 CB LYS A 69 3.545 14.227 7.785 1.00 0.00 C ATOM 1021 CG LYS A 69 3.647 15.453 8.696 1.00 0.00 C ATOM 1022 CD LYS A 69 4.751 16.399 8.219 1.00 0.00 C ATOM 1023 CE LYS A 69 4.658 17.751 8.930 1.00 0.00 C ATOM 1024 NZ LYS A 69 4.076 18.771 8.029 1.00 0.00 N ATOM 0 H LYS A 69 0.955 13.745 7.977 1.00 0.00 H new ATOM 0 HA LYS A 69 2.718 15.380 6.228 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.303 13.346 8.380 1.00 0.00 H new ATOM 0 HB3 LYS A 69 4.509 14.038 7.314 1.00 0.00 H new ATOM 0 HG2 LYS A 69 2.693 15.980 8.711 1.00 0.00 H new ATOM 0 HG3 LYS A 69 3.852 15.135 9.718 1.00 0.00 H new ATOM 0 HD2 LYS A 69 5.726 15.951 8.408 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.671 16.544 7.142 1.00 0.00 H new ATOM 0 HE2 LYS A 69 4.045 17.656 9.826 1.00 0.00 H new ATOM 0 HE3 LYS A 69 5.649 18.067 9.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 4.020 19.682 8.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.677 18.873 7.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 3.122 18.475 7.740 1.00 0.00 H new ATOM 1038 N THR A 70 3.443 13.498 4.709 1.00 0.00 N ATOM 1039 CA THR A 70 3.575 12.552 3.614 1.00 0.00 C ATOM 1040 C THR A 70 4.623 11.489 3.950 1.00 0.00 C ATOM 1041 O THR A 70 5.386 11.644 4.903 1.00 0.00 O ATOM 1042 CB THR A 70 3.897 13.342 2.343 1.00 0.00 C ATOM 1043 OG1 THR A 70 5.164 13.936 2.615 1.00 0.00 O ATOM 1044 CG2 THR A 70 2.962 14.536 2.143 1.00 0.00 C ATOM 0 H THR A 70 4.132 14.250 4.708 1.00 0.00 H new ATOM 0 HA THR A 70 2.646 12.006 3.449 1.00 0.00 H new ATOM 0 HB THR A 70 3.832 12.681 1.479 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.450 14.466 1.842 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.234 15.062 1.228 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.933 14.184 2.067 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.052 15.215 2.991 1.00 0.00 H new ATOM 1052 N LEU A 71 4.626 10.433 3.150 1.00 0.00 N ATOM 1053 CA LEU A 71 5.568 9.345 3.351 1.00 0.00 C ATOM 1054 C LEU A 71 6.964 9.923 3.592 1.00 0.00 C ATOM 1055 O LEU A 71 7.571 9.676 4.633 1.00 0.00 O ATOM 1056 CB LEU A 71 5.503 8.358 2.184 1.00 0.00 C ATOM 1057 CG LEU A 71 4.110 7.843 1.817 1.00 0.00 C ATOM 1058 CD1 LEU A 71 3.861 7.960 0.312 1.00 0.00 C ATOM 1059 CD2 LEU A 71 3.903 6.414 2.324 1.00 0.00 C ATOM 0 H LEU A 71 3.991 10.308 2.361 1.00 0.00 H new ATOM 0 HA LEU A 71 5.303 8.770 4.239 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.935 8.837 1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.134 7.502 2.423 1.00 0.00 H new ATOM 0 HG LEU A 71 3.371 8.471 2.315 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.864 7.587 0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.938 9.005 0.011 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.604 7.372 -0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.905 6.072 2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 71 4.648 5.757 1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.008 6.394 3.409 1.00 0.00 H new ATOM 1071 N ARG A 72 7.434 10.680 2.611 1.00 0.00 N ATOM 1072 CA ARG A 72 8.747 11.294 2.704 1.00 0.00 C ATOM 1073 C ARG A 72 8.896 12.033 4.035 1.00 0.00 C ATOM 1074 O ARG A 72 10.011 12.271 4.496 1.00 0.00 O ATOM 1075 CB ARG A 72 8.977 12.278 1.554 1.00 0.00 C ATOM 1076 CG ARG A 72 10.431 12.753 1.522 1.00 0.00 C ATOM 1077 CD ARG A 72 10.511 14.257 1.255 1.00 0.00 C ATOM 1078 NE ARG A 72 10.117 14.545 -0.143 1.00 0.00 N ATOM 1079 CZ ARG A 72 10.383 15.695 -0.777 1.00 0.00 C ATOM 1080 NH1 ARG A 72 11.045 16.672 -0.142 1.00 0.00 N ATOM 1081 NH2 ARG A 72 9.987 15.868 -2.045 1.00 0.00 N ATOM 0 H ARG A 72 6.929 10.882 1.748 1.00 0.00 H new ATOM 0 HA ARG A 72 9.490 10.498 2.642 1.00 0.00 H new ATOM 0 HB2 ARG A 72 8.725 11.801 0.607 1.00 0.00 H new ATOM 0 HB3 ARG A 72 8.313 13.135 1.666 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.913 12.523 2.472 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.977 12.213 0.748 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.857 14.792 1.943 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.525 14.613 1.437 1.00 0.00 H new ATOM 0 HE ARG A 72 9.611 13.823 -0.656 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.346 16.540 0.824 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.248 17.548 -0.624 1.00 0.00 H new ATOM 0 HH21 ARG A 72 9.483 15.124 -2.528 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.190 16.743 -2.528 1.00 0.00 H new ATOM 1095 N GLU A 73 7.755 12.374 4.616 1.00 0.00 N ATOM 1096 CA GLU A 73 7.744 13.081 5.886 1.00 0.00 C ATOM 1097 C GLU A 73 7.604 12.090 7.044 1.00 0.00 C ATOM 1098 O GLU A 73 8.160 12.305 8.120 1.00 0.00 O ATOM 1099 CB GLU A 73 6.628 14.127 5.922 1.00 0.00 C ATOM 1100 CG GLU A 73 6.866 15.219 4.878 1.00 0.00 C ATOM 1101 CD GLU A 73 7.666 16.381 5.473 1.00 0.00 C ATOM 1102 OE1 GLU A 73 7.072 17.120 6.287 1.00 0.00 O ATOM 1103 OE2 GLU A 73 8.852 16.503 5.099 1.00 0.00 O ATOM 0 H GLU A 73 6.832 12.174 4.231 1.00 0.00 H new ATOM 0 HA GLU A 73 8.693 13.606 5.995 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.668 13.646 5.737 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.575 14.574 6.915 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.403 14.802 4.026 1.00 0.00 H new ATOM 0 HG3 GLU A 73 5.910 15.585 4.504 1.00 0.00 H new ATOM 1110 N ILE A 74 6.859 11.026 6.783 1.00 0.00 N ATOM 1111 CA ILE A 74 6.640 10.001 7.790 1.00 0.00 C ATOM 1112 C ILE A 74 7.886 9.120 7.894 1.00 0.00 C ATOM 1113 O ILE A 74 7.983 8.279 8.787 1.00 0.00 O ATOM 1114 CB ILE A 74 5.358 9.222 7.490 1.00 0.00 C ATOM 1115 CG1 ILE A 74 5.657 7.974 6.656 1.00 0.00 C ATOM 1116 CG2 ILE A 74 4.313 10.119 6.824 1.00 0.00 C ATOM 1117 CD1 ILE A 74 5.764 6.733 7.545 1.00 0.00 C ATOM 0 H ILE A 74 6.399 10.851 5.889 1.00 0.00 H new ATOM 0 HA ILE A 74 6.488 10.454 8.770 1.00 0.00 H new ATOM 0 HB ILE A 74 4.935 8.884 8.436 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.869 7.829 5.917 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.588 8.114 6.107 1.00 0.00 H new ATOM 0 HG21 ILE A 74 3.412 9.540 6.622 1.00 0.00 H new ATOM 0 HG22 ILE A 74 4.070 10.949 7.488 1.00 0.00 H new ATOM 0 HG23 ILE A 74 4.712 10.508 5.887 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.977 5.860 6.928 1.00 0.00 H new ATOM 0 HD12 ILE A 74 6.568 6.871 8.267 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.823 6.582 8.074 1.00 0.00 H new ATOM 1129 N LYS A 75 8.808 9.342 6.969 1.00 0.00 N ATOM 1130 CA LYS A 75 10.044 8.578 6.946 1.00 0.00 C ATOM 1131 C LYS A 75 9.787 7.220 6.290 1.00 0.00 C ATOM 1132 O LYS A 75 9.393 6.267 6.960 1.00 0.00 O ATOM 1133 CB LYS A 75 10.639 8.479 8.352 1.00 0.00 C ATOM 1134 CG LYS A 75 10.633 9.842 9.048 1.00 0.00 C ATOM 1135 CD LYS A 75 12.016 10.495 8.984 1.00 0.00 C ATOM 1136 CE LYS A 75 12.421 11.054 10.349 1.00 0.00 C ATOM 1137 NZ LYS A 75 13.757 10.551 10.740 1.00 0.00 N ATOM 0 H LYS A 75 8.724 10.040 6.230 1.00 0.00 H new ATOM 0 HA LYS A 75 10.795 9.087 6.342 1.00 0.00 H new ATOM 0 HB2 LYS A 75 10.068 7.763 8.943 1.00 0.00 H new ATOM 0 HB3 LYS A 75 11.660 8.101 8.293 1.00 0.00 H new ATOM 0 HG2 LYS A 75 9.897 10.493 8.575 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.331 9.722 10.088 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.753 9.763 8.653 1.00 0.00 H new ATOM 0 HD3 LYS A 75 12.010 11.297 8.246 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.432 12.143 10.314 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.684 10.767 11.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.016 10.940 11.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 13.735 9.513 10.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.460 10.846 10.033 1.00 0.00 H new ATOM 1151 N VAL A 76 10.020 7.175 4.986 1.00 0.00 N ATOM 1152 CA VAL A 76 9.818 5.950 4.232 1.00 0.00 C ATOM 1153 C VAL A 76 11.059 5.671 3.381 1.00 0.00 C ATOM 1154 O VAL A 76 11.881 6.559 3.165 1.00 0.00 O ATOM 1155 CB VAL A 76 8.536 6.050 3.404 1.00 0.00 C ATOM 1156 CG1 VAL A 76 8.555 5.057 2.240 1.00 0.00 C ATOM 1157 CG2 VAL A 76 7.299 5.842 4.281 1.00 0.00 C ATOM 0 H VAL A 76 10.347 7.967 4.433 1.00 0.00 H new ATOM 0 HA VAL A 76 9.688 5.103 4.906 1.00 0.00 H new ATOM 0 HB VAL A 76 8.486 7.055 2.986 1.00 0.00 H new ATOM 0 HG11 VAL A 76 7.632 5.149 1.668 1.00 0.00 H new ATOM 0 HG12 VAL A 76 9.406 5.271 1.593 1.00 0.00 H new ATOM 0 HG13 VAL A 76 8.641 4.042 2.629 1.00 0.00 H new ATOM 0 HG21 VAL A 76 6.401 5.918 3.668 1.00 0.00 H new ATOM 0 HG22 VAL A 76 7.341 4.855 4.741 1.00 0.00 H new ATOM 0 HG23 VAL A 76 7.272 6.605 5.059 1.00 0.00 H new ATOM 1167 N THR A 77 11.154 4.432 2.920 1.00 0.00 N ATOM 1168 CA THR A 77 12.280 4.024 2.097 1.00 0.00 C ATOM 1169 C THR A 77 11.793 3.242 0.876 1.00 0.00 C ATOM 1170 O THR A 77 10.625 2.863 0.803 1.00 0.00 O ATOM 1171 CB THR A 77 13.248 3.233 2.979 1.00 0.00 C ATOM 1172 OG1 THR A 77 12.451 2.179 3.511 1.00 0.00 O ATOM 1173 CG2 THR A 77 13.694 4.021 4.212 1.00 0.00 C ATOM 0 H THR A 77 10.470 3.698 3.101 1.00 0.00 H new ATOM 0 HA THR A 77 12.812 4.888 1.699 1.00 0.00 H new ATOM 0 HB THR A 77 14.123 2.949 2.394 1.00 0.00 H new ATOM 0 HG1 THR A 77 13.001 1.615 4.094 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.380 3.414 4.803 1.00 0.00 H new ATOM 0 HG22 THR A 77 14.198 4.935 3.897 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.823 4.276 4.815 1.00 0.00 H new ATOM 1181 N SER A 78 12.713 3.023 -0.052 1.00 0.00 N ATOM 1182 CA SER A 78 12.391 2.292 -1.266 1.00 0.00 C ATOM 1183 C SER A 78 12.535 0.788 -1.026 1.00 0.00 C ATOM 1184 O SER A 78 13.644 0.257 -1.041 1.00 0.00 O ATOM 1185 CB SER A 78 13.287 2.732 -2.427 1.00 0.00 C ATOM 1186 OG SER A 78 14.666 2.729 -2.068 1.00 0.00 O ATOM 0 H SER A 78 13.681 3.339 0.012 1.00 0.00 H new ATOM 0 HA SER A 78 11.358 2.513 -1.534 1.00 0.00 H new ATOM 0 HB2 SER A 78 13.132 2.067 -3.277 1.00 0.00 H new ATOM 0 HB3 SER A 78 12.998 3.733 -2.749 1.00 0.00 H new ATOM 0 HG SER A 78 14.872 1.912 -1.567 1.00 0.00 H new ATOM 1192 N GLY A 79 11.397 0.145 -0.809 1.00 0.00 N ATOM 1193 CA GLY A 79 11.382 -1.287 -0.565 1.00 0.00 C ATOM 1194 C GLY A 79 10.880 -1.598 0.846 1.00 0.00 C ATOM 1195 O GLY A 79 11.192 -2.650 1.402 1.00 0.00 O ATOM 0 H GLY A 79 10.479 0.589 -0.797 1.00 0.00 H new ATOM 0 HA2 GLY A 79 10.742 -1.778 -1.299 1.00 0.00 H new ATOM 0 HA3 GLY A 79 12.385 -1.692 -0.695 1.00 0.00 H new ATOM 1199 N ALA A 80 10.110 -0.664 1.385 1.00 0.00 N ATOM 1200 CA ALA A 80 9.562 -0.825 2.721 1.00 0.00 C ATOM 1201 C ALA A 80 8.382 -1.798 2.669 1.00 0.00 C ATOM 1202 O ALA A 80 8.002 -2.261 1.595 1.00 0.00 O ATOM 1203 CB ALA A 80 9.165 0.543 3.278 1.00 0.00 C ATOM 0 H ALA A 80 9.853 0.207 0.921 1.00 0.00 H new ATOM 0 HA ALA A 80 10.308 -1.247 3.394 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.754 0.422 4.280 1.00 0.00 H new ATOM 0 HB2 ALA A 80 10.043 1.187 3.321 1.00 0.00 H new ATOM 0 HB3 ALA A 80 8.415 0.996 2.630 1.00 0.00 H new ATOM 1209 N LYS A 81 7.836 -2.079 3.843 1.00 0.00 N ATOM 1210 CA LYS A 81 6.707 -2.988 3.946 1.00 0.00 C ATOM 1211 C LYS A 81 5.511 -2.244 4.543 1.00 0.00 C ATOM 1212 O LYS A 81 5.684 -1.295 5.307 1.00 0.00 O ATOM 1213 CB LYS A 81 7.101 -4.245 4.724 1.00 0.00 C ATOM 1214 CG LYS A 81 7.128 -5.471 3.808 1.00 0.00 C ATOM 1215 CD LYS A 81 8.520 -5.679 3.210 1.00 0.00 C ATOM 1216 CE LYS A 81 9.540 -6.017 4.300 1.00 0.00 C ATOM 1217 NZ LYS A 81 10.688 -6.752 3.725 1.00 0.00 N ATOM 0 H LYS A 81 8.155 -1.693 4.732 1.00 0.00 H new ATOM 0 HA LYS A 81 6.405 -3.335 2.958 1.00 0.00 H new ATOM 0 HB2 LYS A 81 8.082 -4.104 5.177 1.00 0.00 H new ATOM 0 HB3 LYS A 81 6.395 -4.410 5.538 1.00 0.00 H new ATOM 0 HG2 LYS A 81 6.835 -6.357 4.371 1.00 0.00 H new ATOM 0 HG3 LYS A 81 6.399 -5.347 3.007 1.00 0.00 H new ATOM 0 HD2 LYS A 81 8.488 -6.483 2.475 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.831 -4.778 2.682 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.889 -5.101 4.777 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.066 -6.619 5.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 11.371 -6.974 4.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.352 -7.635 3.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.149 -6.164 3.002 1.00 0.00 H new ATOM 1231 N ILE A 82 4.325 -2.703 4.173 1.00 0.00 N ATOM 1232 CA ILE A 82 3.100 -2.093 4.663 1.00 0.00 C ATOM 1233 C ILE A 82 2.097 -3.191 5.023 1.00 0.00 C ATOM 1234 O ILE A 82 1.471 -3.777 4.141 1.00 0.00 O ATOM 1235 CB ILE A 82 2.565 -1.079 3.651 1.00 0.00 C ATOM 1236 CG1 ILE A 82 3.695 -0.210 3.094 1.00 0.00 C ATOM 1237 CG2 ILE A 82 1.442 -0.236 4.260 1.00 0.00 C ATOM 1238 CD1 ILE A 82 4.106 0.867 4.101 1.00 0.00 C ATOM 0 H ILE A 82 4.186 -3.490 3.540 1.00 0.00 H new ATOM 0 HA ILE A 82 3.294 -1.527 5.574 1.00 0.00 H new ATOM 0 HB ILE A 82 2.138 -1.628 2.812 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.555 -0.835 2.854 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.373 0.260 2.165 1.00 0.00 H new ATOM 0 HG21 ILE A 82 1.080 0.477 3.519 1.00 0.00 H new ATOM 0 HG22 ILE A 82 0.624 -0.887 4.567 1.00 0.00 H new ATOM 0 HG23 ILE A 82 1.822 0.304 5.128 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.910 1.470 3.680 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.250 1.505 4.321 1.00 0.00 H new ATOM 0 HD13 ILE A 82 4.450 0.393 5.020 1.00 0.00 H new ATOM 1250 N MET A 83 1.976 -3.437 6.319 1.00 0.00 N ATOM 1251 CA MET A 83 1.060 -4.454 6.806 1.00 0.00 C ATOM 1252 C MET A 83 -0.387 -3.960 6.750 1.00 0.00 C ATOM 1253 O MET A 83 -0.714 -2.918 7.315 1.00 0.00 O ATOM 1254 CB MET A 83 1.420 -4.817 8.248 1.00 0.00 C ATOM 1255 CG MET A 83 2.482 -5.918 8.287 1.00 0.00 C ATOM 1256 SD MET A 83 4.002 -5.276 8.967 1.00 0.00 S ATOM 1257 CE MET A 83 4.894 -4.929 7.460 1.00 0.00 C ATOM 0 H MET A 83 2.498 -2.949 7.047 1.00 0.00 H new ATOM 0 HA MET A 83 1.149 -5.333 6.168 1.00 0.00 H new ATOM 0 HB2 MET A 83 1.788 -3.933 8.768 1.00 0.00 H new ATOM 0 HB3 MET A 83 0.527 -5.149 8.777 1.00 0.00 H new ATOM 0 HG2 MET A 83 2.129 -6.754 8.890 1.00 0.00 H new ATOM 0 HG3 MET A 83 2.657 -6.302 7.282 1.00 0.00 H new ATOM 0 HE1 MET A 83 5.945 -4.758 7.691 1.00 0.00 H new ATOM 0 HE2 MET A 83 4.805 -5.777 6.781 1.00 0.00 H new ATOM 0 HE3 MET A 83 4.477 -4.040 6.987 1.00 0.00 H new ATOM 1267 N VAL A 84 -1.216 -4.732 6.062 1.00 0.00 N ATOM 1268 CA VAL A 84 -2.620 -4.387 5.925 1.00 0.00 C ATOM 1269 C VAL A 84 -3.476 -5.494 6.543 1.00 0.00 C ATOM 1270 O VAL A 84 -3.015 -6.623 6.704 1.00 0.00 O ATOM 1271 CB VAL A 84 -2.953 -4.124 4.455 1.00 0.00 C ATOM 1272 CG1 VAL A 84 -4.369 -3.564 4.305 1.00 0.00 C ATOM 1273 CG2 VAL A 84 -1.923 -3.188 3.818 1.00 0.00 C ATOM 0 H VAL A 84 -0.941 -5.595 5.594 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.841 -3.466 6.465 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.912 -5.077 3.927 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.580 -3.386 3.251 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.088 -4.280 4.703 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.449 -2.626 4.854 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.183 -3.018 2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -1.917 -2.237 4.350 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.934 -3.642 3.876 1.00 0.00 H new ATOM 1283 N VAL A 85 -4.708 -5.132 6.871 1.00 0.00 N ATOM 1284 CA VAL A 85 -5.632 -6.081 7.468 1.00 0.00 C ATOM 1285 C VAL A 85 -7.036 -5.838 6.910 1.00 0.00 C ATOM 1286 O VAL A 85 -7.220 -5.006 6.023 1.00 0.00 O ATOM 1287 CB VAL A 85 -5.570 -5.985 8.993 1.00 0.00 C ATOM 1288 CG1 VAL A 85 -6.438 -4.833 9.506 1.00 0.00 C ATOM 1289 CG2 VAL A 85 -5.975 -7.309 9.644 1.00 0.00 C ATOM 0 H VAL A 85 -5.087 -4.195 6.735 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.351 -7.102 7.209 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.537 -5.777 9.273 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -6.376 -4.787 10.593 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -6.083 -3.893 9.082 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -7.474 -4.997 9.208 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.922 -7.212 10.728 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -6.994 -7.561 9.352 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -5.298 -8.098 9.316 1.00 0.00 H new ATOM 1299 N GLY A 86 -7.991 -6.579 7.454 1.00 0.00 N ATOM 1300 CA GLY A 86 -9.372 -6.454 7.022 1.00 0.00 C ATOM 1301 C GLY A 86 -9.975 -7.826 6.709 1.00 0.00 C ATOM 1302 O GLY A 86 -10.858 -8.297 7.423 1.00 0.00 O ATOM 0 H GLY A 86 -7.835 -7.268 8.190 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -9.957 -5.964 7.800 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -9.424 -5.819 6.137 1.00 0.00 H new ATOM 1306 N SER A 87 -9.474 -8.427 5.640 1.00 0.00 N ATOM 1307 CA SER A 87 -9.951 -9.734 5.223 1.00 0.00 C ATOM 1308 C SER A 87 -11.429 -9.652 4.837 1.00 0.00 C ATOM 1309 O SER A 87 -12.145 -8.762 5.292 1.00 0.00 O ATOM 1310 CB SER A 87 -9.748 -10.772 6.328 1.00 0.00 C ATOM 1311 OG SER A 87 -9.006 -11.900 5.871 1.00 0.00 O ATOM 0 H SER A 87 -8.742 -8.032 5.050 1.00 0.00 H new ATOM 0 HA SER A 87 -9.372 -10.049 4.355 1.00 0.00 H new ATOM 0 HB2 SER A 87 -9.227 -10.311 7.167 1.00 0.00 H new ATOM 0 HB3 SER A 87 -10.719 -11.102 6.698 1.00 0.00 H new ATOM 0 HG SER A 87 -8.896 -12.539 6.606 1.00 0.00 H new ATOM 1317 N THR A 88 -11.843 -10.594 4.002 1.00 0.00 N ATOM 1318 CA THR A 88 -13.223 -10.640 3.549 1.00 0.00 C ATOM 1319 C THR A 88 -13.582 -9.355 2.801 1.00 0.00 C ATOM 1320 O THR A 88 -13.663 -8.284 3.401 1.00 0.00 O ATOM 1321 CB THR A 88 -14.111 -10.902 4.767 1.00 0.00 C ATOM 1322 OG1 THR A 88 -13.762 -12.222 5.175 1.00 0.00 O ATOM 1323 CG2 THR A 88 -15.593 -11.005 4.400 1.00 0.00 C ATOM 0 H THR A 88 -11.247 -11.332 3.627 1.00 0.00 H new ATOM 0 HA THR A 88 -13.378 -11.449 2.835 1.00 0.00 H new ATOM 0 HB THR A 88 -13.972 -10.103 5.495 1.00 0.00 H new ATOM 0 HG1 THR A 88 -14.291 -12.472 5.961 1.00 0.00 H new ATOM 0 HG21 THR A 88 -16.179 -11.191 5.300 1.00 0.00 H new ATOM 0 HG22 THR A 88 -15.920 -10.072 3.941 1.00 0.00 H new ATOM 0 HG23 THR A 88 -15.738 -11.825 3.697 1.00 0.00 H new ATOM 1331 N ILE A 89 -13.786 -9.503 1.500 1.00 0.00 N ATOM 1332 CA ILE A 89 -14.134 -8.368 0.663 1.00 0.00 C ATOM 1333 C ILE A 89 -15.652 -8.175 0.678 1.00 0.00 C ATOM 1334 O ILE A 89 -16.171 -7.368 1.449 1.00 0.00 O ATOM 1335 CB ILE A 89 -13.550 -8.538 -0.741 1.00 0.00 C ATOM 1336 CG1 ILE A 89 -12.059 -8.199 -0.759 1.00 0.00 C ATOM 1337 CG2 ILE A 89 -14.337 -7.719 -1.766 1.00 0.00 C ATOM 1338 CD1 ILE A 89 -11.365 -8.840 -1.963 1.00 0.00 C ATOM 0 H ILE A 89 -13.717 -10.392 1.005 1.00 0.00 H new ATOM 0 HA ILE A 89 -13.692 -7.454 1.059 1.00 0.00 H new ATOM 0 HB ILE A 89 -13.645 -9.586 -1.026 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -11.929 -7.117 -0.793 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -11.592 -8.547 0.162 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -13.901 -7.858 -2.755 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -15.375 -8.051 -1.777 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -14.297 -6.664 -1.497 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -10.306 -8.583 -1.952 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -11.476 -9.923 -1.913 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -11.818 -8.471 -2.883 1.00 0.00 H new ATOM 1350 N SER A 90 -16.321 -8.928 -0.182 1.00 0.00 N ATOM 1351 CA SER A 90 -17.769 -8.850 -0.277 1.00 0.00 C ATOM 1352 C SER A 90 -18.188 -7.458 -0.754 1.00 0.00 C ATOM 1353 O SER A 90 -18.088 -6.486 -0.006 1.00 0.00 O ATOM 1354 CB SER A 90 -18.427 -9.171 1.066 1.00 0.00 C ATOM 1355 OG SER A 90 -19.848 -9.214 0.968 1.00 0.00 O ATOM 0 H SER A 90 -15.887 -9.595 -0.820 1.00 0.00 H new ATOM 0 HA SER A 90 -18.105 -9.592 -1.002 1.00 0.00 H new ATOM 0 HB2 SER A 90 -18.060 -10.131 1.429 1.00 0.00 H new ATOM 0 HB3 SER A 90 -18.137 -8.420 1.801 1.00 0.00 H new ATOM 0 HG SER A 90 -20.230 -9.423 1.846 1.00 0.00 H new ATOM 1361 N GLY A 91 -18.647 -7.406 -1.996 1.00 0.00 N ATOM 1362 CA GLY A 91 -19.081 -6.149 -2.581 1.00 0.00 C ATOM 1363 C GLY A 91 -19.608 -6.358 -4.002 1.00 0.00 C ATOM 1364 O GLY A 91 -19.241 -7.326 -4.667 1.00 0.00 O ATOM 0 H GLY A 91 -18.728 -8.214 -2.613 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -19.861 -5.706 -1.962 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -18.249 -5.445 -2.598 1.00 0.00 H new ATOM 1368 N PRO A 92 -20.482 -5.412 -4.437 1.00 0.00 N ATOM 1369 CA PRO A 92 -21.063 -5.483 -5.766 1.00 0.00 C ATOM 1370 C PRO A 92 -20.043 -5.080 -6.833 1.00 0.00 C ATOM 1371 O PRO A 92 -19.871 -5.781 -7.829 1.00 0.00 O ATOM 1372 CB PRO A 92 -22.269 -4.560 -5.719 1.00 0.00 C ATOM 1373 CG PRO A 92 -22.053 -3.653 -4.519 1.00 0.00 C ATOM 1374 CD PRO A 92 -20.939 -4.252 -3.676 1.00 0.00 C ATOM 0 HA PRO A 92 -21.363 -6.494 -6.040 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -22.352 -3.979 -6.638 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -23.193 -5.129 -5.617 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -21.787 -2.647 -4.844 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -22.970 -3.568 -3.935 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -20.131 -3.537 -3.521 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -21.301 -4.543 -2.690 1.00 0.00 H new ATOM 1382 N SER A 93 -19.392 -3.952 -6.588 1.00 0.00 N ATOM 1383 CA SER A 93 -18.394 -3.447 -7.514 1.00 0.00 C ATOM 1384 C SER A 93 -17.147 -4.333 -7.474 1.00 0.00 C ATOM 1385 O SER A 93 -16.746 -4.799 -6.408 1.00 0.00 O ATOM 1386 CB SER A 93 -18.026 -1.998 -7.192 1.00 0.00 C ATOM 1387 OG SER A 93 -19.087 -1.097 -7.497 1.00 0.00 O ATOM 0 H SER A 93 -19.537 -3.374 -5.761 1.00 0.00 H new ATOM 0 HA SER A 93 -18.817 -3.471 -8.518 1.00 0.00 H new ATOM 0 HB2 SER A 93 -17.772 -1.915 -6.135 1.00 0.00 H new ATOM 0 HB3 SER A 93 -17.137 -1.716 -7.756 1.00 0.00 H new ATOM 0 HG SER A 93 -18.813 -0.182 -7.276 1.00 0.00 H new ATOM 1393 N SER A 94 -16.568 -4.539 -8.648 1.00 0.00 N ATOM 1394 CA SER A 94 -15.375 -5.361 -8.759 1.00 0.00 C ATOM 1395 C SER A 94 -14.300 -4.617 -9.556 1.00 0.00 C ATOM 1396 O SER A 94 -14.334 -4.601 -10.785 1.00 0.00 O ATOM 1397 CB SER A 94 -15.691 -6.704 -9.420 1.00 0.00 C ATOM 1398 OG SER A 94 -14.970 -7.777 -8.820 1.00 0.00 O ATOM 0 H SER A 94 -16.903 -4.151 -9.530 1.00 0.00 H new ATOM 0 HA SER A 94 -15.002 -5.560 -7.754 1.00 0.00 H new ATOM 0 HB2 SER A 94 -16.761 -6.901 -9.348 1.00 0.00 H new ATOM 0 HB3 SER A 94 -15.447 -6.652 -10.481 1.00 0.00 H new ATOM 0 HG SER A 94 -15.200 -8.617 -9.269 1.00 0.00 H new ATOM 1404 N GLY A 95 -13.372 -4.020 -8.822 1.00 0.00 N ATOM 1405 CA GLY A 95 -12.290 -3.277 -9.445 1.00 0.00 C ATOM 1406 C GLY A 95 -12.815 -2.014 -10.130 1.00 0.00 C ATOM 1407 O GLY A 95 -12.655 -1.846 -11.338 1.00 0.00 O ATOM 0 H GLY A 95 -13.347 -4.036 -7.802 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.550 -3.006 -8.692 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.785 -3.908 -10.176 1.00 0.00 H new TER 1411 GLY A 95