USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 604 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 45 TYR OH : rot 180:sc= 0.794 USER MOD Set 1.2: A 48 THR OG1 : rot 85:sc= 0.903 USER MOD Set 2.1: A 9 TYR OH : rot 16:sc= 1.07 USER MOD Set 2.2: A 35 TYR OH : rot 0:sc= -0.0501 USER MOD Single : A 1 MET CE :methyl -163:sc= -0.0633 (180deg=-0.402) USER MOD Single : A 1 MET N :NH3+ 180:sc= -0.0117 (180deg=-0.0117) USER MOD Single : A 6 THR OG1 : rot 180:sc= -1.09 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0341) USER MOD Single : A 18 GLN : amide:sc=-0.00403 X(o=-0.004,f=-0.13) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.242 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00257 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 37:sc= 0.491 USER MOD Single : A 36 THR OG1 : rot -140:sc= -0.2 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0192 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -171:sc=-0.00866 (180deg=-0.155) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.475 USER MOD Single : A 61 THR OG1 : rot -44:sc= 0.188 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.212 X(o=-0.21,f=-0.11) USER MOD Single : A 75 HIS : no HE2:sc= 0.0165 K(o=0.016,f=-1.5) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HE2:sc= 0.168 K(o=0.26,f=-1.2) USER MOD Single : A 82 HIS : no HE2:sc= 0.0175 K(o=0.018,f=-1.2) USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= -0.0304 X(o=-0.03,f=-0.03) USER MOD Single : A 85 HIS : no HD1:sc= -0.0124 X(o=-0.012,f=-0.011) USER MOD Single : A 86 HIS : no HD1:sc= -0.258 X(o=-0.26,f=0.055) USER MOD Single : A 87 HIS : no HD1:sc= -0.0365 X(o=-0.037,f=-0.32) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.985 23.216 0.199 1.00 63.11 N ATOM 2 CA MET A 1 -6.082 22.282 0.926 1.00 53.44 C ATOM 3 C MET A 1 -6.199 20.828 0.381 1.00 51.01 C ATOM 4 O MET A 1 -6.660 19.922 1.079 1.00 61.22 O ATOM 5 CB MET A 1 -6.350 22.359 2.465 1.00 45.12 C ATOM 6 CG MET A 1 -7.825 22.177 2.890 1.00 2.33 C ATOM 7 SD MET A 1 -8.059 22.222 4.681 1.00 43.53 S ATOM 8 CE MET A 1 -7.165 20.753 5.209 1.00 74.51 C ATOM 0 H1 MET A 1 -6.880 24.174 0.589 1.00 63.11 H new ATOM 0 H2 MET A 1 -6.736 23.224 -0.811 1.00 63.11 H new ATOM 0 H3 MET A 1 -7.971 22.903 0.310 1.00 63.11 H new ATOM 0 HA MET A 1 -5.052 22.592 0.750 1.00 53.44 H new ATOM 0 HB2 MET A 1 -5.750 21.595 2.960 1.00 45.12 H new ATOM 0 HB3 MET A 1 -6.001 23.325 2.830 1.00 45.12 H new ATOM 0 HG2 MET A 1 -8.428 22.961 2.431 1.00 2.33 H new ATOM 0 HG3 MET A 1 -8.193 21.226 2.506 1.00 2.33 H new ATOM 0 HE1 MET A 1 -7.468 20.487 6.222 1.00 74.51 H new ATOM 0 HE2 MET A 1 -7.391 19.927 4.534 1.00 74.51 H new ATOM 0 HE3 MET A 1 -6.094 20.953 5.192 1.00 74.51 H new ATOM 20 N ASP A 2 -5.791 20.615 -0.893 1.00 71.15 N ATOM 21 CA ASP A 2 -5.786 19.265 -1.514 1.00 64.43 C ATOM 22 C ASP A 2 -4.684 18.389 -0.857 1.00 73.23 C ATOM 23 O ASP A 2 -3.488 18.681 -0.992 1.00 35.32 O ATOM 24 CB ASP A 2 -5.569 19.382 -3.051 1.00 11.43 C ATOM 25 CG ASP A 2 -5.997 18.119 -3.821 1.00 72.32 C ATOM 26 OD1 ASP A 2 -5.168 17.202 -3.996 1.00 13.30 O ATOM 27 OD2 ASP A 2 -7.175 18.041 -4.255 1.00 2.25 O ATOM 0 H ASP A 2 -5.462 21.357 -1.510 1.00 71.15 H new ATOM 0 HA ASP A 2 -6.751 18.786 -1.347 1.00 64.43 H new ATOM 0 HB2 ASP A 2 -6.131 20.237 -3.427 1.00 11.43 H new ATOM 0 HB3 ASP A 2 -4.516 19.581 -3.249 1.00 11.43 H new ATOM 32 N GLU A 3 -5.097 17.334 -0.132 1.00 40.20 N ATOM 33 CA GLU A 3 -4.170 16.495 0.668 1.00 22.32 C ATOM 34 C GLU A 3 -3.758 15.221 -0.085 1.00 63.42 C ATOM 35 O GLU A 3 -4.498 14.707 -0.921 1.00 53.12 O ATOM 36 CB GLU A 3 -4.799 16.121 2.036 1.00 63.12 C ATOM 37 CG GLU A 3 -5.152 17.333 2.929 1.00 33.34 C ATOM 38 CD GLU A 3 -5.604 16.954 4.353 1.00 35.53 C ATOM 39 OE1 GLU A 3 -6.160 15.853 4.552 1.00 34.41 O ATOM 40 OE2 GLU A 3 -5.421 17.768 5.279 1.00 62.21 O ATOM 0 H GLU A 3 -6.071 17.036 -0.080 1.00 40.20 H new ATOM 0 HA GLU A 3 -3.273 17.090 0.842 1.00 22.32 H new ATOM 0 HB2 GLU A 3 -5.704 15.539 1.859 1.00 63.12 H new ATOM 0 HB3 GLU A 3 -4.106 15.476 2.577 1.00 63.12 H new ATOM 0 HG2 GLU A 3 -4.282 17.986 2.997 1.00 33.34 H new ATOM 0 HG3 GLU A 3 -5.944 17.907 2.448 1.00 33.34 H new ATOM 47 N ASP A 4 -2.567 14.710 0.251 1.00 73.22 N ATOM 48 CA ASP A 4 -1.984 13.507 -0.378 1.00 55.35 C ATOM 49 C ASP A 4 -1.835 12.341 0.627 1.00 3.14 C ATOM 50 O ASP A 4 -1.933 12.524 1.847 1.00 61.40 O ATOM 51 CB ASP A 4 -0.629 13.856 -1.063 1.00 1.24 C ATOM 52 CG ASP A 4 0.249 14.810 -0.237 1.00 52.33 C ATOM 53 OD1 ASP A 4 0.844 14.374 0.766 1.00 41.11 O ATOM 54 OD2 ASP A 4 0.336 16.010 -0.587 1.00 33.42 O ATOM 0 H ASP A 4 -1.972 15.119 0.972 1.00 73.22 H new ATOM 0 HA ASP A 4 -2.675 13.163 -1.147 1.00 55.35 H new ATOM 0 HB2 ASP A 4 -0.076 12.935 -1.247 1.00 1.24 H new ATOM 0 HB3 ASP A 4 -0.828 14.308 -2.035 1.00 1.24 H new ATOM 59 N ALA A 5 -1.613 11.140 0.067 1.00 21.34 N ATOM 60 CA ALA A 5 -1.454 9.882 0.818 1.00 41.24 C ATOM 61 C ALA A 5 -0.410 8.983 0.118 1.00 75.55 C ATOM 62 O ALA A 5 -0.482 8.776 -1.097 1.00 31.00 O ATOM 63 CB ALA A 5 -2.806 9.157 0.935 1.00 2.53 C ATOM 0 H ALA A 5 -1.537 11.013 -0.942 1.00 21.34 H new ATOM 0 HA ALA A 5 -1.101 10.108 1.824 1.00 41.24 H new ATOM 0 HB1 ALA A 5 -2.674 8.229 1.492 1.00 2.53 H new ATOM 0 HB2 ALA A 5 -3.518 9.796 1.458 1.00 2.53 H new ATOM 0 HB3 ALA A 5 -3.185 8.931 -0.062 1.00 2.53 H new ATOM 69 N THR A 6 0.552 8.446 0.886 1.00 40.23 N ATOM 70 CA THR A 6 1.655 7.611 0.342 1.00 1.31 C ATOM 71 C THR A 6 1.398 6.106 0.586 1.00 0.04 C ATOM 72 O THR A 6 0.776 5.719 1.573 1.00 74.42 O ATOM 73 CB THR A 6 3.048 8.018 0.950 1.00 21.13 C ATOM 74 OG1 THR A 6 2.941 8.221 2.366 1.00 72.43 O ATOM 75 CG2 THR A 6 3.624 9.288 0.302 1.00 33.11 C ATOM 0 H THR A 6 0.594 8.573 1.897 1.00 40.23 H new ATOM 0 HA THR A 6 1.682 7.792 -0.733 1.00 1.31 H new ATOM 0 HB THR A 6 3.729 7.193 0.741 1.00 21.13 H new ATOM 0 HG1 THR A 6 3.817 8.472 2.728 1.00 72.43 H new ATOM 0 HG21 THR A 6 4.585 9.525 0.758 1.00 33.11 H new ATOM 0 HG22 THR A 6 3.760 9.122 -0.767 1.00 33.11 H new ATOM 0 HG23 THR A 6 2.935 10.119 0.455 1.00 33.11 H new ATOM 83 N ILE A 7 1.852 5.261 -0.354 1.00 50.02 N ATOM 84 CA ILE A 7 1.771 3.789 -0.237 1.00 12.10 C ATOM 85 C ILE A 7 3.210 3.214 -0.193 1.00 41.12 C ATOM 86 O ILE A 7 3.981 3.371 -1.148 1.00 0.54 O ATOM 87 CB ILE A 7 0.944 3.129 -1.423 1.00 5.45 C ATOM 88 CG1 ILE A 7 -0.577 3.550 -1.401 1.00 24.30 C ATOM 89 CG2 ILE A 7 1.064 1.585 -1.395 1.00 53.30 C ATOM 90 CD1 ILE A 7 -0.898 4.938 -1.947 1.00 13.53 C ATOM 0 H ILE A 7 2.288 5.577 -1.221 1.00 50.02 H new ATOM 0 HA ILE A 7 1.237 3.548 0.682 1.00 12.10 H new ATOM 0 HB ILE A 7 1.379 3.504 -2.349 1.00 5.45 H new ATOM 0 HG12 ILE A 7 -1.144 2.816 -1.974 1.00 24.30 H new ATOM 0 HG13 ILE A 7 -0.933 3.495 -0.372 1.00 24.30 H new ATOM 0 HG21 ILE A 7 0.488 1.160 -2.217 1.00 53.30 H new ATOM 0 HG22 ILE A 7 2.111 1.299 -1.499 1.00 53.30 H new ATOM 0 HG23 ILE A 7 0.677 1.207 -0.448 1.00 53.30 H new ATOM 0 HD11 ILE A 7 -1.971 5.116 -1.881 1.00 13.53 H new ATOM 0 HD12 ILE A 7 -0.369 5.690 -1.362 1.00 13.53 H new ATOM 0 HD13 ILE A 7 -0.583 5.001 -2.989 1.00 13.53 H new ATOM 102 N THR A 8 3.557 2.551 0.923 1.00 62.05 N ATOM 103 CA THR A 8 4.912 2.009 1.180 1.00 71.21 C ATOM 104 C THR A 8 4.903 0.464 1.130 1.00 44.14 C ATOM 105 O THR A 8 4.345 -0.187 2.020 1.00 15.21 O ATOM 106 CB THR A 8 5.446 2.481 2.584 1.00 41.42 C ATOM 107 OG1 THR A 8 5.463 3.919 2.649 1.00 23.33 O ATOM 108 CG2 THR A 8 6.858 1.942 2.905 1.00 31.35 C ATOM 0 H THR A 8 2.901 2.372 1.683 1.00 62.05 H new ATOM 0 HA THR A 8 5.572 2.389 0.400 1.00 71.21 H new ATOM 0 HB THR A 8 4.762 2.073 3.328 1.00 41.42 H new ATOM 0 HG1 THR A 8 5.795 4.203 3.526 1.00 23.33 H new ATOM 0 HG21 THR A 8 7.171 2.302 3.885 1.00 31.35 H new ATOM 0 HG22 THR A 8 6.840 0.852 2.907 1.00 31.35 H new ATOM 0 HG23 THR A 8 7.561 2.291 2.149 1.00 31.35 H new ATOM 116 N TYR A 9 5.498 -0.113 0.072 1.00 55.43 N ATOM 117 CA TYR A 9 5.728 -1.573 -0.022 1.00 20.24 C ATOM 118 C TYR A 9 6.942 -1.979 0.845 1.00 24.04 C ATOM 119 O TYR A 9 7.994 -1.338 0.787 1.00 42.30 O ATOM 120 CB TYR A 9 5.939 -1.998 -1.503 1.00 33.23 C ATOM 121 CG TYR A 9 4.656 -1.934 -2.346 1.00 41.40 C ATOM 122 CD1 TYR A 9 4.148 -0.715 -2.815 1.00 55.14 C ATOM 123 CD2 TYR A 9 3.927 -3.093 -2.635 1.00 43.33 C ATOM 124 CE1 TYR A 9 2.981 -0.663 -3.545 1.00 21.32 C ATOM 125 CE2 TYR A 9 2.755 -3.037 -3.359 1.00 41.30 C ATOM 126 CZ TYR A 9 2.285 -1.822 -3.803 1.00 62.32 C ATOM 127 OH TYR A 9 1.111 -1.766 -4.502 1.00 14.11 O ATOM 0 H TYR A 9 5.832 0.410 -0.738 1.00 55.43 H new ATOM 0 HA TYR A 9 4.847 -2.091 0.356 1.00 20.24 H new ATOM 0 HB2 TYR A 9 6.694 -1.353 -1.954 1.00 33.23 H new ATOM 0 HB3 TYR A 9 6.331 -3.015 -1.529 1.00 33.23 H new ATOM 0 HD1 TYR A 9 4.681 0.200 -2.600 1.00 55.14 H new ATOM 0 HD2 TYR A 9 4.289 -4.048 -2.285 1.00 43.33 H new ATOM 0 HE1 TYR A 9 2.614 0.283 -3.913 1.00 21.32 H new ATOM 0 HE2 TYR A 9 2.208 -3.943 -3.577 1.00 41.30 H new ATOM 0 HH TYR A 9 1.040 -0.899 -4.954 1.00 14.11 H new ATOM 137 N VAL A 10 6.774 -3.027 1.669 1.00 5.11 N ATOM 138 CA VAL A 10 7.821 -3.527 2.595 1.00 71.33 C ATOM 139 C VAL A 10 7.986 -5.060 2.467 1.00 11.11 C ATOM 140 O VAL A 10 7.075 -5.749 2.015 1.00 5.13 O ATOM 141 CB VAL A 10 7.494 -3.160 4.093 1.00 64.14 C ATOM 142 CG1 VAL A 10 7.452 -1.627 4.317 1.00 14.24 C ATOM 143 CG2 VAL A 10 6.185 -3.835 4.566 1.00 12.25 C ATOM 0 H VAL A 10 5.905 -3.559 1.717 1.00 5.11 H new ATOM 0 HA VAL A 10 8.754 -3.039 2.313 1.00 71.33 H new ATOM 0 HB VAL A 10 8.308 -3.551 4.704 1.00 64.14 H new ATOM 0 HG11 VAL A 10 7.224 -1.418 5.362 1.00 14.24 H new ATOM 0 HG12 VAL A 10 8.421 -1.196 4.064 1.00 14.24 H new ATOM 0 HG13 VAL A 10 6.682 -1.188 3.683 1.00 14.24 H new ATOM 0 HG21 VAL A 10 5.989 -3.561 5.603 1.00 12.25 H new ATOM 0 HG22 VAL A 10 5.357 -3.502 3.940 1.00 12.25 H new ATOM 0 HG23 VAL A 10 6.286 -4.918 4.489 1.00 12.25 H new ATOM 153 N ASP A 11 9.158 -5.574 2.876 1.00 70.22 N ATOM 154 CA ASP A 11 9.469 -7.018 2.875 1.00 12.13 C ATOM 155 C ASP A 11 9.711 -7.493 4.327 1.00 23.40 C ATOM 156 O ASP A 11 10.792 -7.292 4.895 1.00 22.24 O ATOM 157 CB ASP A 11 10.702 -7.296 1.972 1.00 44.12 C ATOM 158 CG ASP A 11 11.102 -8.780 1.920 1.00 44.31 C ATOM 159 OD1 ASP A 11 10.382 -9.581 1.280 1.00 44.52 O ATOM 160 OD2 ASP A 11 12.137 -9.146 2.520 1.00 14.30 O ATOM 0 H ASP A 11 9.925 -4.996 3.220 1.00 70.22 H new ATOM 0 HA ASP A 11 8.627 -7.578 2.467 1.00 12.13 H new ATOM 0 HB2 ASP A 11 10.487 -6.950 0.961 1.00 44.12 H new ATOM 0 HB3 ASP A 11 11.548 -6.712 2.336 1.00 44.12 H new ATOM 165 N ASP A 12 8.663 -8.085 4.913 1.00 12.13 N ATOM 166 CA ASP A 12 8.643 -8.620 6.291 1.00 10.54 C ATOM 167 C ASP A 12 9.679 -9.755 6.522 1.00 43.31 C ATOM 168 O ASP A 12 10.055 -10.031 7.670 1.00 1.35 O ATOM 169 CB ASP A 12 7.210 -9.122 6.610 1.00 14.13 C ATOM 170 CG ASP A 12 6.158 -7.998 6.594 1.00 55.43 C ATOM 171 OD1 ASP A 12 5.929 -7.399 5.521 1.00 71.33 O ATOM 172 OD2 ASP A 12 5.553 -7.706 7.651 1.00 1.13 O ATOM 0 H ASP A 12 7.774 -8.212 4.430 1.00 12.13 H new ATOM 0 HA ASP A 12 8.927 -7.812 6.965 1.00 10.54 H new ATOM 0 HB2 ASP A 12 6.929 -9.885 5.884 1.00 14.13 H new ATOM 0 HB3 ASP A 12 7.208 -9.599 7.590 1.00 14.13 H new ATOM 177 N ASP A 13 10.128 -10.401 5.426 1.00 41.32 N ATOM 178 CA ASP A 13 11.208 -11.417 5.452 1.00 43.12 C ATOM 179 C ASP A 13 12.541 -10.799 5.966 1.00 34.10 C ATOM 180 O ASP A 13 13.356 -11.488 6.594 1.00 31.04 O ATOM 181 CB ASP A 13 11.365 -12.015 4.027 1.00 22.13 C ATOM 182 CG ASP A 13 12.454 -13.098 3.912 1.00 53.02 C ATOM 183 OD1 ASP A 13 12.161 -14.282 4.172 1.00 31.54 O ATOM 184 OD2 ASP A 13 13.606 -12.779 3.541 1.00 2.30 O ATOM 0 H ASP A 13 9.752 -10.234 4.493 1.00 41.32 H new ATOM 0 HA ASP A 13 10.945 -12.216 6.145 1.00 43.12 H new ATOM 0 HB2 ASP A 13 10.411 -12.441 3.717 1.00 22.13 H new ATOM 0 HB3 ASP A 13 11.595 -11.209 3.330 1.00 22.13 H new ATOM 189 N LYS A 14 12.724 -9.478 5.726 1.00 31.22 N ATOM 190 CA LYS A 14 13.910 -8.707 6.176 1.00 64.23 C ATOM 191 C LYS A 14 13.489 -7.551 7.130 1.00 60.31 C ATOM 192 O LYS A 14 14.165 -6.513 7.220 1.00 73.13 O ATOM 193 CB LYS A 14 14.703 -8.175 4.943 1.00 23.44 C ATOM 194 CG LYS A 14 15.285 -9.279 4.031 1.00 33.34 C ATOM 195 CD LYS A 14 16.168 -10.287 4.810 1.00 50.34 C ATOM 196 CE LYS A 14 16.812 -11.343 3.903 1.00 15.41 C ATOM 197 NZ LYS A 14 17.817 -10.751 2.981 1.00 43.14 N ATOM 0 H LYS A 14 12.048 -8.913 5.211 1.00 31.22 H new ATOM 0 HA LYS A 14 14.568 -9.369 6.740 1.00 64.23 H new ATOM 0 HB2 LYS A 14 14.045 -7.541 4.350 1.00 23.44 H new ATOM 0 HB3 LYS A 14 15.519 -7.545 5.296 1.00 23.44 H new ATOM 0 HG2 LYS A 14 14.468 -9.814 3.547 1.00 33.34 H new ATOM 0 HG3 LYS A 14 15.877 -8.818 3.240 1.00 33.34 H new ATOM 0 HD2 LYS A 14 16.951 -9.743 5.339 1.00 50.34 H new ATOM 0 HD3 LYS A 14 15.561 -10.786 5.565 1.00 50.34 H new ATOM 0 HE2 LYS A 14 17.290 -12.106 4.518 1.00 15.41 H new ATOM 0 HE3 LYS A 14 16.037 -11.842 3.321 1.00 15.41 H new ATOM 0 HZ1 LYS A 14 18.299 -11.510 2.459 1.00 43.14 H new ATOM 0 HZ2 LYS A 14 17.340 -10.117 2.308 1.00 43.14 H new ATOM 0 HZ3 LYS A 14 18.516 -10.211 3.530 1.00 43.14 H new ATOM 211 N GLY A 15 12.391 -7.779 7.883 1.00 31.21 N ATOM 212 CA GLY A 15 11.895 -6.821 8.886 1.00 62.50 C ATOM 213 C GLY A 15 11.349 -5.511 8.300 1.00 11.34 C ATOM 214 O GLY A 15 11.584 -4.428 8.849 1.00 23.55 O ATOM 0 H GLY A 15 11.829 -8.627 7.811 1.00 31.21 H new ATOM 0 HA2 GLY A 15 11.108 -7.299 9.469 1.00 62.50 H new ATOM 0 HA3 GLY A 15 12.705 -6.586 9.577 1.00 62.50 H new ATOM 218 N GLY A 16 10.611 -5.616 7.181 1.00 65.21 N ATOM 219 CA GLY A 16 10.000 -4.451 6.525 1.00 1.24 C ATOM 220 C GLY A 16 10.959 -3.657 5.620 1.00 74.44 C ATOM 221 O GLY A 16 10.994 -2.420 5.676 1.00 51.22 O ATOM 0 H GLY A 16 10.424 -6.502 6.711 1.00 65.21 H new ATOM 0 HA2 GLY A 16 9.152 -4.788 5.929 1.00 1.24 H new ATOM 0 HA3 GLY A 16 9.606 -3.783 7.291 1.00 1.24 H new ATOM 225 N ALA A 17 11.731 -4.374 4.776 1.00 15.05 N ATOM 226 CA ALA A 17 12.646 -3.755 3.782 1.00 14.04 C ATOM 227 C ALA A 17 11.863 -3.213 2.562 1.00 53.14 C ATOM 228 O ALA A 17 11.137 -3.969 1.921 1.00 54.01 O ATOM 229 CB ALA A 17 13.687 -4.796 3.329 1.00 10.40 C ATOM 0 H ALA A 17 11.741 -5.394 4.761 1.00 15.05 H new ATOM 0 HA ALA A 17 13.152 -2.912 4.252 1.00 14.04 H new ATOM 0 HB1 ALA A 17 14.360 -4.344 2.600 1.00 10.40 H new ATOM 0 HB2 ALA A 17 14.261 -5.135 4.191 1.00 10.40 H new ATOM 0 HB3 ALA A 17 13.178 -5.646 2.875 1.00 10.40 H new ATOM 235 N GLN A 18 12.038 -1.914 2.225 1.00 14.40 N ATOM 236 CA GLN A 18 11.235 -1.247 1.164 1.00 25.02 C ATOM 237 C GLN A 18 11.410 -1.930 -0.221 1.00 20.24 C ATOM 238 O GLN A 18 12.527 -2.079 -0.726 1.00 75.11 O ATOM 239 CB GLN A 18 11.588 0.261 1.050 1.00 4.23 C ATOM 240 CG GLN A 18 10.770 1.017 -0.028 1.00 14.12 C ATOM 241 CD GLN A 18 11.198 2.472 -0.243 1.00 34.41 C ATOM 242 OE1 GLN A 18 11.653 3.151 0.672 1.00 52.13 O ATOM 243 NE2 GLN A 18 11.061 2.960 -1.463 1.00 53.13 N ATOM 0 H GLN A 18 12.725 -1.305 2.669 1.00 14.40 H new ATOM 0 HA GLN A 18 10.191 -1.346 1.463 1.00 25.02 H new ATOM 0 HB2 GLN A 18 11.424 0.737 2.017 1.00 4.23 H new ATOM 0 HB3 GLN A 18 12.649 0.360 0.822 1.00 4.23 H new ATOM 0 HG2 GLN A 18 10.857 0.482 -0.974 1.00 14.12 H new ATOM 0 HG3 GLN A 18 9.717 0.999 0.253 1.00 14.12 H new ATOM 0 HE21 GLN A 18 10.680 2.375 -2.207 1.00 53.13 H new ATOM 0 HE22 GLN A 18 11.336 3.922 -1.661 1.00 53.13 H new ATOM 252 N VAL A 19 10.277 -2.330 -0.820 1.00 50.11 N ATOM 253 CA VAL A 19 10.241 -3.020 -2.121 1.00 51.31 C ATOM 254 C VAL A 19 9.869 -2.018 -3.244 1.00 13.51 C ATOM 255 O VAL A 19 8.745 -1.498 -3.277 1.00 12.33 O ATOM 256 CB VAL A 19 9.214 -4.219 -2.103 1.00 22.35 C ATOM 257 CG1 VAL A 19 9.272 -5.033 -3.414 1.00 32.23 C ATOM 258 CG2 VAL A 19 9.435 -5.136 -0.876 1.00 43.42 C ATOM 0 H VAL A 19 9.353 -2.183 -0.413 1.00 50.11 H new ATOM 0 HA VAL A 19 11.233 -3.427 -2.316 1.00 51.31 H new ATOM 0 HB VAL A 19 8.217 -3.787 -2.022 1.00 22.35 H new ATOM 0 HG11 VAL A 19 8.552 -5.850 -3.367 1.00 32.23 H new ATOM 0 HG12 VAL A 19 9.030 -4.384 -4.256 1.00 32.23 H new ATOM 0 HG13 VAL A 19 10.275 -5.440 -3.546 1.00 32.23 H new ATOM 0 HG21 VAL A 19 8.711 -5.951 -0.895 1.00 43.42 H new ATOM 0 HG22 VAL A 19 10.444 -5.547 -0.906 1.00 43.42 H new ATOM 0 HG23 VAL A 19 9.306 -4.557 0.039 1.00 43.42 H new ATOM 268 N GLY A 20 10.828 -1.747 -4.146 1.00 40.02 N ATOM 269 CA GLY A 20 10.612 -0.836 -5.280 1.00 12.15 C ATOM 270 C GLY A 20 10.590 0.655 -4.894 1.00 13.11 C ATOM 271 O GLY A 20 11.619 1.215 -4.498 1.00 12.11 O ATOM 0 H GLY A 20 11.765 -2.149 -4.110 1.00 40.02 H new ATOM 0 HA2 GLY A 20 11.399 -0.998 -6.017 1.00 12.15 H new ATOM 0 HA3 GLY A 20 9.667 -1.090 -5.761 1.00 12.15 H new ATOM 275 N ASP A 21 9.398 1.285 -4.979 1.00 71.21 N ATOM 276 CA ASP A 21 9.237 2.757 -4.825 1.00 35.53 C ATOM 277 C ASP A 21 7.914 3.115 -4.086 1.00 30.11 C ATOM 278 O ASP A 21 6.970 2.316 -4.053 1.00 63.43 O ATOM 279 CB ASP A 21 9.288 3.407 -6.240 1.00 33.30 C ATOM 280 CG ASP A 21 9.216 4.947 -6.243 1.00 15.25 C ATOM 281 OD1 ASP A 21 10.054 5.594 -5.576 1.00 74.10 O ATOM 282 OD2 ASP A 21 8.321 5.516 -6.907 1.00 31.34 O ATOM 0 H ASP A 21 8.521 0.795 -5.155 1.00 71.21 H new ATOM 0 HA ASP A 21 10.048 3.148 -4.210 1.00 35.53 H new ATOM 0 HB2 ASP A 21 10.210 3.099 -6.734 1.00 33.30 H new ATOM 0 HB3 ASP A 21 8.462 3.017 -6.834 1.00 33.30 H new ATOM 287 N ILE A 22 7.874 4.329 -3.489 1.00 51.43 N ATOM 288 CA ILE A 22 6.695 4.846 -2.750 1.00 21.30 C ATOM 289 C ILE A 22 5.691 5.519 -3.724 1.00 22.30 C ATOM 290 O ILE A 22 6.090 6.293 -4.599 1.00 63.50 O ATOM 291 CB ILE A 22 7.126 5.884 -1.638 1.00 14.45 C ATOM 292 CG1 ILE A 22 8.270 5.307 -0.737 1.00 55.41 C ATOM 293 CG2 ILE A 22 5.916 6.325 -0.774 1.00 13.05 C ATOM 294 CD1 ILE A 22 7.922 4.032 0.014 1.00 71.14 C ATOM 0 H ILE A 22 8.659 4.980 -3.505 1.00 51.43 H new ATOM 0 HA ILE A 22 6.214 3.996 -2.266 1.00 21.30 H new ATOM 0 HB ILE A 22 7.510 6.767 -2.149 1.00 14.45 H new ATOM 0 HG12 ILE A 22 9.141 5.115 -1.363 1.00 55.41 H new ATOM 0 HG13 ILE A 22 8.559 6.069 -0.013 1.00 55.41 H new ATOM 0 HG21 ILE A 22 6.248 7.038 -0.020 1.00 13.05 H new ATOM 0 HG22 ILE A 22 5.166 6.793 -1.411 1.00 13.05 H new ATOM 0 HG23 ILE A 22 5.483 5.454 -0.283 1.00 13.05 H new ATOM 0 HD11 ILE A 22 8.779 3.714 0.608 1.00 71.14 H new ATOM 0 HD12 ILE A 22 7.073 4.218 0.672 1.00 71.14 H new ATOM 0 HD13 ILE A 22 7.664 3.249 -0.699 1.00 71.14 H new ATOM 306 N VAL A 23 4.387 5.220 -3.560 1.00 22.14 N ATOM 307 CA VAL A 23 3.318 5.739 -4.448 1.00 41.24 C ATOM 308 C VAL A 23 2.522 6.874 -3.753 1.00 22.11 C ATOM 309 O VAL A 23 1.720 6.610 -2.862 1.00 25.41 O ATOM 310 CB VAL A 23 2.329 4.586 -4.879 1.00 30.20 C ATOM 311 CG1 VAL A 23 1.293 5.084 -5.919 1.00 25.23 C ATOM 312 CG2 VAL A 23 3.099 3.348 -5.401 1.00 23.44 C ATOM 0 H VAL A 23 4.043 4.616 -2.814 1.00 22.14 H new ATOM 0 HA VAL A 23 3.801 6.140 -5.339 1.00 41.24 H new ATOM 0 HB VAL A 23 1.778 4.281 -3.989 1.00 30.20 H new ATOM 0 HG11 VAL A 23 0.629 4.264 -6.193 1.00 25.23 H new ATOM 0 HG12 VAL A 23 0.708 5.897 -5.489 1.00 25.23 H new ATOM 0 HG13 VAL A 23 1.813 5.442 -6.808 1.00 25.23 H new ATOM 0 HG21 VAL A 23 2.389 2.573 -5.689 1.00 23.44 H new ATOM 0 HG22 VAL A 23 3.699 3.631 -6.266 1.00 23.44 H new ATOM 0 HG23 VAL A 23 3.752 2.968 -4.615 1.00 23.44 H new ATOM 322 N THR A 24 2.756 8.137 -4.152 1.00 40.13 N ATOM 323 CA THR A 24 1.979 9.291 -3.635 1.00 65.53 C ATOM 324 C THR A 24 0.766 9.578 -4.554 1.00 40.14 C ATOM 325 O THR A 24 0.923 9.736 -5.772 1.00 21.13 O ATOM 326 CB THR A 24 2.850 10.590 -3.532 1.00 15.23 C ATOM 327 OG1 THR A 24 4.074 10.306 -2.836 1.00 32.15 O ATOM 328 CG2 THR A 24 2.112 11.730 -2.788 1.00 2.04 C ATOM 0 H THR A 24 3.475 8.390 -4.830 1.00 40.13 H new ATOM 0 HA THR A 24 1.641 9.021 -2.635 1.00 65.53 H new ATOM 0 HB THR A 24 3.054 10.919 -4.551 1.00 15.23 H new ATOM 0 HG1 THR A 24 4.614 11.122 -2.777 1.00 32.15 H new ATOM 0 HG21 THR A 24 2.754 12.609 -2.741 1.00 2.04 H new ATOM 0 HG22 THR A 24 1.195 11.979 -3.322 1.00 2.04 H new ATOM 0 HG23 THR A 24 1.867 11.406 -1.777 1.00 2.04 H new ATOM 336 N VAL A 25 -0.435 9.644 -3.961 1.00 24.01 N ATOM 337 CA VAL A 25 -1.691 10.008 -4.665 1.00 65.32 C ATOM 338 C VAL A 25 -2.353 11.232 -3.972 1.00 61.33 C ATOM 339 O VAL A 25 -2.271 11.369 -2.753 1.00 62.34 O ATOM 340 CB VAL A 25 -2.696 8.783 -4.717 1.00 15.13 C ATOM 341 CG1 VAL A 25 -2.144 7.642 -5.609 1.00 44.53 C ATOM 342 CG2 VAL A 25 -3.027 8.253 -3.298 1.00 72.50 C ATOM 0 H VAL A 25 -0.572 9.446 -2.970 1.00 24.01 H new ATOM 0 HA VAL A 25 -1.443 10.275 -5.692 1.00 65.32 H new ATOM 0 HB VAL A 25 -3.622 9.147 -5.161 1.00 15.13 H new ATOM 0 HG11 VAL A 25 -2.855 6.816 -5.625 1.00 44.53 H new ATOM 0 HG12 VAL A 25 -1.995 8.013 -6.623 1.00 44.53 H new ATOM 0 HG13 VAL A 25 -1.193 7.294 -5.207 1.00 44.53 H new ATOM 0 HG21 VAL A 25 -3.718 7.414 -3.375 1.00 72.50 H new ATOM 0 HG22 VAL A 25 -2.110 7.924 -2.809 1.00 72.50 H new ATOM 0 HG23 VAL A 25 -3.486 9.048 -2.710 1.00 72.50 H new ATOM 352 N THR A 26 -2.998 12.126 -4.751 1.00 30.34 N ATOM 353 CA THR A 26 -3.615 13.383 -4.216 1.00 52.43 C ATOM 354 C THR A 26 -5.162 13.360 -4.299 1.00 70.34 C ATOM 355 O THR A 26 -5.744 12.717 -5.184 1.00 31.34 O ATOM 356 CB THR A 26 -3.081 14.655 -4.960 1.00 71.12 C ATOM 357 OG1 THR A 26 -3.160 14.462 -6.382 1.00 62.21 O ATOM 358 CG2 THR A 26 -1.636 15.007 -4.567 1.00 55.32 C ATOM 0 H THR A 26 -3.111 12.010 -5.758 1.00 30.34 H new ATOM 0 HA THR A 26 -3.323 13.433 -3.167 1.00 52.43 H new ATOM 0 HB THR A 26 -3.714 15.490 -4.658 1.00 71.12 H new ATOM 0 HG1 THR A 26 -2.826 15.262 -6.840 1.00 62.21 H new ATOM 0 HG21 THR A 26 -1.317 15.896 -5.112 1.00 55.32 H new ATOM 0 HG22 THR A 26 -1.587 15.201 -3.496 1.00 55.32 H new ATOM 0 HG23 THR A 26 -0.978 14.174 -4.815 1.00 55.32 H new ATOM 366 N GLY A 27 -5.811 14.086 -3.365 1.00 21.21 N ATOM 367 CA GLY A 27 -7.273 14.103 -3.244 1.00 15.01 C ATOM 368 C GLY A 27 -7.785 14.962 -2.074 1.00 3.34 C ATOM 369 O GLY A 27 -7.314 16.081 -1.859 1.00 50.03 O ATOM 0 H GLY A 27 -5.334 14.672 -2.680 1.00 21.21 H new ATOM 0 HA2 GLY A 27 -7.702 14.478 -4.174 1.00 15.01 H new ATOM 0 HA3 GLY A 27 -7.631 13.081 -3.117 1.00 15.01 H new ATOM 373 N LYS A 28 -8.739 14.423 -1.293 1.00 25.44 N ATOM 374 CA LYS A 28 -9.532 15.224 -0.324 1.00 43.34 C ATOM 375 C LYS A 28 -9.610 14.518 1.063 1.00 24.34 C ATOM 376 O LYS A 28 -9.772 13.301 1.118 1.00 5.42 O ATOM 377 CB LYS A 28 -10.959 15.433 -0.925 1.00 54.21 C ATOM 378 CG LYS A 28 -11.672 16.746 -0.530 1.00 54.12 C ATOM 379 CD LYS A 28 -10.989 18.004 -1.126 1.00 31.10 C ATOM 380 CE LYS A 28 -10.975 18.004 -2.668 1.00 43.20 C ATOM 381 NZ LYS A 28 -10.401 19.256 -3.234 1.00 20.45 N ATOM 0 H LYS A 28 -8.985 13.433 -1.310 1.00 25.44 H new ATOM 0 HA LYS A 28 -9.049 16.187 -0.160 1.00 43.34 H new ATOM 0 HB2 LYS A 28 -10.883 15.396 -2.012 1.00 54.21 H new ATOM 0 HB3 LYS A 28 -11.587 14.596 -0.620 1.00 54.21 H new ATOM 0 HG2 LYS A 28 -12.708 16.707 -0.867 1.00 54.12 H new ATOM 0 HG3 LYS A 28 -11.693 16.830 0.557 1.00 54.12 H new ATOM 0 HD2 LYS A 28 -11.508 18.895 -0.772 1.00 31.10 H new ATOM 0 HD3 LYS A 28 -9.965 18.064 -0.758 1.00 31.10 H new ATOM 0 HE2 LYS A 28 -10.397 17.151 -3.023 1.00 43.20 H new ATOM 0 HE3 LYS A 28 -11.992 17.875 -3.037 1.00 43.20 H new ATOM 0 HZ1 LYS A 28 -10.415 19.206 -4.273 1.00 20.45 H new ATOM 0 HZ2 LYS A 28 -10.966 20.070 -2.920 1.00 20.45 H new ATOM 0 HZ3 LYS A 28 -9.421 19.368 -2.906 1.00 20.45 H new ATOM 395 N THR A 29 -9.483 15.314 2.156 1.00 33.43 N ATOM 396 CA THR A 29 -9.542 14.844 3.582 1.00 24.31 C ATOM 397 C THR A 29 -10.678 13.824 3.855 1.00 32.15 C ATOM 398 O THR A 29 -10.443 12.750 4.423 1.00 23.33 O ATOM 399 CB THR A 29 -9.734 16.057 4.575 1.00 74.34 C ATOM 400 OG1 THR A 29 -8.827 17.123 4.249 1.00 11.21 O ATOM 401 CG2 THR A 29 -9.512 15.645 6.045 1.00 74.54 C ATOM 0 H THR A 29 -9.334 16.320 2.079 1.00 33.43 H new ATOM 0 HA THR A 29 -8.586 14.348 3.751 1.00 24.31 H new ATOM 0 HB THR A 29 -10.764 16.394 4.463 1.00 74.34 H new ATOM 0 HG1 THR A 29 -8.960 17.867 4.872 1.00 11.21 H new ATOM 0 HG21 THR A 29 -9.655 16.511 6.691 1.00 74.54 H new ATOM 0 HG22 THR A 29 -10.226 14.868 6.317 1.00 74.54 H new ATOM 0 HG23 THR A 29 -8.498 15.264 6.167 1.00 74.54 H new ATOM 409 N ASP A 30 -11.905 14.182 3.446 1.00 74.12 N ATOM 410 CA ASP A 30 -13.107 13.350 3.663 1.00 71.24 C ATOM 411 C ASP A 30 -13.179 12.149 2.690 1.00 20.53 C ATOM 412 O ASP A 30 -13.684 11.083 3.060 1.00 64.32 O ATOM 413 CB ASP A 30 -14.382 14.226 3.536 1.00 15.33 C ATOM 414 CG ASP A 30 -14.511 15.253 4.672 1.00 32.34 C ATOM 415 OD1 ASP A 30 -13.885 16.328 4.597 1.00 65.14 O ATOM 416 OD2 ASP A 30 -15.225 14.975 5.661 1.00 71.24 O ATOM 0 H ASP A 30 -12.096 15.056 2.955 1.00 74.12 H new ATOM 0 HA ASP A 30 -13.043 12.938 4.670 1.00 71.24 H new ATOM 0 HB2 ASP A 30 -14.365 14.748 2.580 1.00 15.33 H new ATOM 0 HB3 ASP A 30 -15.261 13.582 3.532 1.00 15.33 H new ATOM 421 N ASP A 31 -12.665 12.324 1.461 1.00 71.24 N ATOM 422 CA ASP A 31 -12.756 11.295 0.398 1.00 63.52 C ATOM 423 C ASP A 31 -11.639 10.230 0.499 1.00 30.14 C ATOM 424 O ASP A 31 -10.508 10.521 0.896 1.00 22.43 O ATOM 425 CB ASP A 31 -12.719 11.959 -1.000 1.00 72.01 C ATOM 426 CG ASP A 31 -13.989 12.763 -1.304 1.00 25.42 C ATOM 427 OD1 ASP A 31 -15.072 12.147 -1.395 1.00 2.24 O ATOM 428 OD2 ASP A 31 -13.917 13.996 -1.486 1.00 11.23 O ATOM 0 H ASP A 31 -12.178 13.173 1.173 1.00 71.24 H new ATOM 0 HA ASP A 31 -13.708 10.783 0.540 1.00 63.52 H new ATOM 0 HB2 ASP A 31 -11.853 12.618 -1.063 1.00 72.01 H new ATOM 0 HB3 ASP A 31 -12.590 11.189 -1.761 1.00 72.01 H new ATOM 433 N SER A 32 -11.988 8.986 0.121 1.00 14.44 N ATOM 434 CA SER A 32 -11.023 7.880 -0.033 1.00 62.22 C ATOM 435 C SER A 32 -10.812 7.577 -1.531 1.00 62.12 C ATOM 436 O SER A 32 -11.771 7.554 -2.306 1.00 65.15 O ATOM 437 CB SER A 32 -11.541 6.615 0.705 1.00 54.42 C ATOM 438 OG SER A 32 -12.828 6.213 0.234 1.00 61.14 O ATOM 0 H SER A 32 -12.950 8.718 -0.087 1.00 14.44 H new ATOM 0 HA SER A 32 -10.069 8.173 0.406 1.00 62.22 H new ATOM 0 HB2 SER A 32 -10.832 5.798 0.567 1.00 54.42 H new ATOM 0 HB3 SER A 32 -11.592 6.815 1.775 1.00 54.42 H new ATOM 0 HG SER A 32 -13.119 5.414 0.720 1.00 61.14 H new ATOM 444 N THR A 33 -9.551 7.342 -1.920 1.00 73.11 N ATOM 445 CA THR A 33 -9.168 6.939 -3.313 1.00 50.10 C ATOM 446 C THR A 33 -8.986 5.411 -3.419 1.00 71.21 C ATOM 447 O THR A 33 -8.785 4.756 -2.406 1.00 41.34 O ATOM 448 CB THR A 33 -7.834 7.623 -3.765 1.00 30.22 C ATOM 449 OG1 THR A 33 -7.610 7.400 -5.171 1.00 4.23 O ATOM 450 CG2 THR A 33 -6.603 7.128 -2.966 1.00 50.41 C ATOM 0 H THR A 33 -8.754 7.422 -1.289 1.00 73.11 H new ATOM 0 HA THR A 33 -9.981 7.263 -3.963 1.00 50.10 H new ATOM 0 HB THR A 33 -7.949 8.688 -3.565 1.00 30.22 H new ATOM 0 HG1 THR A 33 -6.774 7.834 -5.442 1.00 4.23 H new ATOM 0 HG21 THR A 33 -5.708 7.637 -3.324 1.00 50.41 H new ATOM 0 HG22 THR A 33 -6.745 7.345 -1.907 1.00 50.41 H new ATOM 0 HG23 THR A 33 -6.488 6.053 -3.104 1.00 50.41 H new ATOM 458 N THR A 34 -9.019 4.851 -4.647 1.00 20.41 N ATOM 459 CA THR A 34 -8.733 3.409 -4.881 1.00 13.03 C ATOM 460 C THR A 34 -7.400 3.250 -5.656 1.00 11.24 C ATOM 461 O THR A 34 -7.283 3.654 -6.820 1.00 3.03 O ATOM 462 CB THR A 34 -9.887 2.676 -5.662 1.00 13.21 C ATOM 463 OG1 THR A 34 -10.017 3.199 -6.998 1.00 12.41 O ATOM 464 CG2 THR A 34 -11.240 2.792 -4.936 1.00 35.45 C ATOM 0 H THR A 34 -9.240 5.372 -5.496 1.00 20.41 H new ATOM 0 HA THR A 34 -8.657 2.940 -3.900 1.00 13.03 H new ATOM 0 HB THR A 34 -9.612 1.622 -5.709 1.00 13.21 H new ATOM 0 HG1 THR A 34 -9.129 3.412 -7.354 1.00 12.41 H new ATOM 0 HG21 THR A 34 -12.007 2.272 -5.510 1.00 35.45 H new ATOM 0 HG22 THR A 34 -11.161 2.343 -3.946 1.00 35.45 H new ATOM 0 HG23 THR A 34 -11.511 3.843 -4.837 1.00 35.45 H new ATOM 472 N TYR A 35 -6.380 2.699 -4.980 1.00 0.34 N ATOM 473 CA TYR A 35 -5.092 2.313 -5.606 1.00 21.42 C ATOM 474 C TYR A 35 -4.990 0.772 -5.642 1.00 3.02 C ATOM 475 O TYR A 35 -5.128 0.117 -4.606 1.00 74.44 O ATOM 476 CB TYR A 35 -3.894 2.937 -4.825 1.00 50.03 C ATOM 477 CG TYR A 35 -2.511 2.352 -5.196 1.00 71.02 C ATOM 478 CD1 TYR A 35 -1.911 2.628 -6.428 1.00 61.21 C ATOM 479 CD2 TYR A 35 -1.833 1.487 -4.326 1.00 53.12 C ATOM 480 CE1 TYR A 35 -0.691 2.074 -6.770 1.00 41.43 C ATOM 481 CE2 TYR A 35 -0.619 0.928 -4.671 1.00 51.11 C ATOM 482 CZ TYR A 35 -0.050 1.224 -5.891 1.00 55.41 C ATOM 483 OH TYR A 35 1.159 0.656 -6.241 1.00 64.31 O ATOM 0 H TYR A 35 -6.419 2.505 -3.979 1.00 0.34 H new ATOM 0 HA TYR A 35 -5.053 2.696 -6.626 1.00 21.42 H new ATOM 0 HB2 TYR A 35 -3.880 4.012 -5.005 1.00 50.03 H new ATOM 0 HB3 TYR A 35 -4.060 2.795 -3.757 1.00 50.03 H new ATOM 0 HD1 TYR A 35 -2.409 3.286 -7.125 1.00 61.21 H new ATOM 0 HD2 TYR A 35 -2.269 1.253 -3.366 1.00 53.12 H new ATOM 0 HE1 TYR A 35 -0.240 2.306 -7.724 1.00 41.43 H new ATOM 0 HE2 TYR A 35 -0.116 0.260 -3.987 1.00 51.11 H new ATOM 0 HH TYR A 35 1.415 0.958 -7.137 1.00 64.31 H new ATOM 493 N THR A 36 -4.737 0.201 -6.834 1.00 35.53 N ATOM 494 CA THR A 36 -4.554 -1.258 -6.989 1.00 61.34 C ATOM 495 C THR A 36 -3.125 -1.680 -6.583 1.00 53.22 C ATOM 496 O THR A 36 -2.144 -1.031 -6.955 1.00 74.53 O ATOM 497 CB THR A 36 -4.880 -1.763 -8.443 1.00 43.10 C ATOM 498 OG1 THR A 36 -4.669 -3.189 -8.536 1.00 34.04 O ATOM 499 CG2 THR A 36 -4.059 -1.044 -9.531 1.00 21.02 C ATOM 0 H THR A 36 -4.654 0.726 -7.705 1.00 35.53 H new ATOM 0 HA THR A 36 -5.271 -1.731 -6.318 1.00 61.34 H new ATOM 0 HB THR A 36 -5.928 -1.527 -8.625 1.00 43.10 H new ATOM 0 HG1 THR A 36 -4.253 -3.403 -9.397 1.00 34.04 H new ATOM 0 HG21 THR A 36 -4.330 -1.437 -10.511 1.00 21.02 H new ATOM 0 HG22 THR A 36 -4.269 0.025 -9.498 1.00 21.02 H new ATOM 0 HG23 THR A 36 -2.996 -1.211 -9.355 1.00 21.02 H new ATOM 507 N VAL A 37 -3.031 -2.776 -5.817 1.00 72.41 N ATOM 508 CA VAL A 37 -1.755 -3.308 -5.309 1.00 51.31 C ATOM 509 C VAL A 37 -0.984 -4.021 -6.447 1.00 74.03 C ATOM 510 O VAL A 37 -1.526 -4.907 -7.119 1.00 11.35 O ATOM 511 CB VAL A 37 -1.995 -4.312 -4.112 1.00 22.25 C ATOM 512 CG1 VAL A 37 -0.664 -4.836 -3.523 1.00 2.34 C ATOM 513 CG2 VAL A 37 -2.871 -3.671 -3.007 1.00 63.11 C ATOM 0 H VAL A 37 -3.843 -3.323 -5.530 1.00 72.41 H new ATOM 0 HA VAL A 37 -1.162 -2.471 -4.941 1.00 51.31 H new ATOM 0 HB VAL A 37 -2.534 -5.168 -4.518 1.00 22.25 H new ATOM 0 HG11 VAL A 37 -0.874 -5.523 -2.703 1.00 2.34 H new ATOM 0 HG12 VAL A 37 -0.103 -5.358 -4.299 1.00 2.34 H new ATOM 0 HG13 VAL A 37 -0.075 -3.997 -3.152 1.00 2.34 H new ATOM 0 HG21 VAL A 37 -3.018 -4.387 -2.198 1.00 63.11 H new ATOM 0 HG22 VAL A 37 -2.374 -2.782 -2.619 1.00 63.11 H new ATOM 0 HG23 VAL A 37 -3.838 -3.393 -3.425 1.00 63.11 H new ATOM 523 N THR A 38 0.278 -3.613 -6.649 1.00 44.21 N ATOM 524 CA THR A 38 1.161 -4.160 -7.696 1.00 4.34 C ATOM 525 C THR A 38 2.204 -5.091 -7.036 1.00 15.30 C ATOM 526 O THR A 38 3.121 -4.616 -6.352 1.00 33.04 O ATOM 527 CB THR A 38 1.881 -3.007 -8.491 1.00 13.33 C ATOM 528 OG1 THR A 38 0.902 -2.116 -9.060 1.00 11.04 O ATOM 529 CG2 THR A 38 2.789 -3.547 -9.622 1.00 65.22 C ATOM 0 H THR A 38 0.721 -2.887 -6.086 1.00 44.21 H new ATOM 0 HA THR A 38 0.560 -4.725 -8.409 1.00 4.34 H new ATOM 0 HB THR A 38 2.512 -2.476 -7.778 1.00 13.33 H new ATOM 0 HG1 THR A 38 1.357 -1.401 -9.551 1.00 11.04 H new ATOM 0 HG21 THR A 38 3.262 -2.712 -10.139 1.00 65.22 H new ATOM 0 HG22 THR A 38 3.557 -4.192 -9.195 1.00 65.22 H new ATOM 0 HG23 THR A 38 2.188 -4.118 -10.329 1.00 65.22 H new ATOM 537 N ILE A 39 2.021 -6.414 -7.202 1.00 21.13 N ATOM 538 CA ILE A 39 2.928 -7.439 -6.638 1.00 12.13 C ATOM 539 C ILE A 39 4.113 -7.716 -7.611 1.00 64.23 C ATOM 540 O ILE A 39 3.889 -8.209 -8.726 1.00 42.21 O ATOM 541 CB ILE A 39 2.154 -8.787 -6.332 1.00 43.54 C ATOM 542 CG1 ILE A 39 0.931 -8.529 -5.388 1.00 13.43 C ATOM 543 CG2 ILE A 39 3.095 -9.869 -5.732 1.00 25.43 C ATOM 544 CD1 ILE A 39 1.282 -7.932 -4.031 1.00 42.03 C ATOM 0 H ILE A 39 1.241 -6.806 -7.730 1.00 21.13 H new ATOM 0 HA ILE A 39 3.322 -7.050 -5.699 1.00 12.13 H new ATOM 0 HB ILE A 39 1.780 -9.169 -7.282 1.00 43.54 H new ATOM 0 HG12 ILE A 39 0.235 -7.860 -5.894 1.00 13.43 H new ATOM 0 HG13 ILE A 39 0.408 -9.472 -5.229 1.00 13.43 H new ATOM 0 HG21 ILE A 39 2.526 -10.778 -5.536 1.00 25.43 H new ATOM 0 HG22 ILE A 39 3.896 -10.087 -6.439 1.00 25.43 H new ATOM 0 HG23 ILE A 39 3.524 -9.502 -4.800 1.00 25.43 H new ATOM 0 HD11 ILE A 39 0.371 -7.790 -3.449 1.00 42.03 H new ATOM 0 HD12 ILE A 39 1.951 -8.608 -3.498 1.00 42.03 H new ATOM 0 HD13 ILE A 39 1.775 -6.971 -4.173 1.00 42.03 H new ATOM 556 N PRO A 40 5.383 -7.369 -7.225 1.00 1.21 N ATOM 557 CA PRO A 40 6.582 -7.712 -8.034 1.00 13.22 C ATOM 558 C PRO A 40 6.980 -9.209 -7.907 1.00 12.14 C ATOM 559 O PRO A 40 6.660 -9.872 -6.907 1.00 14.10 O ATOM 560 CB PRO A 40 7.670 -6.774 -7.456 1.00 50.40 C ATOM 561 CG PRO A 40 7.267 -6.585 -6.023 1.00 32.23 C ATOM 562 CD PRO A 40 5.750 -6.600 -6.002 1.00 42.32 C ATOM 0 HA PRO A 40 6.419 -7.576 -9.103 1.00 13.22 H new ATOM 0 HB2 PRO A 40 8.662 -7.218 -7.536 1.00 50.40 H new ATOM 0 HB3 PRO A 40 7.702 -5.824 -7.990 1.00 50.40 H new ATOM 0 HG2 PRO A 40 7.672 -7.380 -5.397 1.00 32.23 H new ATOM 0 HG3 PRO A 40 7.652 -5.643 -5.632 1.00 32.23 H new ATOM 0 HD2 PRO A 40 5.367 -7.077 -5.100 1.00 42.32 H new ATOM 0 HD3 PRO A 40 5.340 -5.590 -6.027 1.00 42.32 H new ATOM 570 N ASP A 41 7.692 -9.718 -8.932 1.00 4.54 N ATOM 571 CA ASP A 41 8.121 -11.135 -9.004 1.00 60.14 C ATOM 572 C ASP A 41 9.129 -11.481 -7.863 1.00 54.52 C ATOM 573 O ASP A 41 10.031 -10.689 -7.557 1.00 35.03 O ATOM 574 CB ASP A 41 8.735 -11.421 -10.404 1.00 63.20 C ATOM 575 CG ASP A 41 9.039 -12.909 -10.637 1.00 52.30 C ATOM 576 OD1 ASP A 41 8.085 -13.686 -10.853 1.00 25.43 O ATOM 577 OD2 ASP A 41 10.219 -13.311 -10.595 1.00 50.32 O ATOM 0 H ASP A 41 7.987 -9.161 -9.734 1.00 4.54 H new ATOM 0 HA ASP A 41 7.249 -11.774 -8.864 1.00 60.14 H new ATOM 0 HB2 ASP A 41 8.047 -11.072 -11.174 1.00 63.20 H new ATOM 0 HB3 ASP A 41 9.655 -10.847 -10.515 1.00 63.20 H new ATOM 582 N GLY A 42 8.933 -12.653 -7.222 1.00 34.24 N ATOM 583 CA GLY A 42 9.788 -13.102 -6.103 1.00 0.25 C ATOM 584 C GLY A 42 9.222 -12.746 -4.719 1.00 31.13 C ATOM 585 O GLY A 42 9.527 -13.415 -3.721 1.00 61.42 O ATOM 0 H GLY A 42 8.188 -13.307 -7.462 1.00 34.24 H new ATOM 0 HA2 GLY A 42 9.919 -14.182 -6.167 1.00 0.25 H new ATOM 0 HA3 GLY A 42 10.776 -12.655 -6.209 1.00 0.25 H new ATOM 589 N TYR A 43 8.393 -11.682 -4.662 1.00 3.30 N ATOM 590 CA TYR A 43 7.741 -11.215 -3.417 1.00 44.12 C ATOM 591 C TYR A 43 6.283 -11.715 -3.364 1.00 53.11 C ATOM 592 O TYR A 43 5.602 -11.790 -4.391 1.00 14.14 O ATOM 593 CB TYR A 43 7.781 -9.667 -3.338 1.00 1.20 C ATOM 594 CG TYR A 43 9.202 -9.080 -3.389 1.00 3.23 C ATOM 595 CD1 TYR A 43 9.842 -8.842 -4.614 1.00 43.35 C ATOM 596 CD2 TYR A 43 9.905 -8.774 -2.221 1.00 22.32 C ATOM 597 CE1 TYR A 43 11.119 -8.330 -4.667 1.00 31.11 C ATOM 598 CE2 TYR A 43 11.188 -8.261 -2.273 1.00 70.25 C ATOM 599 CZ TYR A 43 11.789 -8.038 -3.495 1.00 41.40 C ATOM 600 OH TYR A 43 13.068 -7.528 -3.547 1.00 3.55 O ATOM 0 H TYR A 43 8.156 -11.120 -5.480 1.00 3.30 H new ATOM 0 HA TYR A 43 8.283 -11.621 -2.563 1.00 44.12 H new ATOM 0 HB2 TYR A 43 7.198 -9.255 -4.162 1.00 1.20 H new ATOM 0 HB3 TYR A 43 7.298 -9.347 -2.415 1.00 1.20 H new ATOM 0 HD1 TYR A 43 9.323 -9.065 -5.534 1.00 43.35 H new ATOM 0 HD2 TYR A 43 9.438 -8.941 -1.261 1.00 22.32 H new ATOM 0 HE1 TYR A 43 11.595 -8.157 -5.621 1.00 31.11 H new ATOM 0 HE2 TYR A 43 11.718 -8.035 -1.360 1.00 70.25 H new ATOM 0 HH TYR A 43 13.397 -7.376 -2.636 1.00 3.55 H new ATOM 610 N GLU A 44 5.814 -12.038 -2.153 1.00 65.20 N ATOM 611 CA GLU A 44 4.491 -12.665 -1.923 1.00 14.53 C ATOM 612 C GLU A 44 3.678 -11.808 -0.912 1.00 75.03 C ATOM 613 O GLU A 44 4.195 -11.419 0.138 1.00 34.02 O ATOM 614 CB GLU A 44 4.694 -14.136 -1.407 1.00 30.42 C ATOM 615 CG GLU A 44 3.594 -15.153 -1.813 1.00 61.32 C ATOM 616 CD GLU A 44 2.176 -14.783 -1.344 1.00 72.11 C ATOM 617 OE1 GLU A 44 1.869 -14.969 -0.148 1.00 53.05 O ATOM 618 OE2 GLU A 44 1.376 -14.281 -2.162 1.00 2.32 O ATOM 0 H GLU A 44 6.339 -11.874 -1.294 1.00 65.20 H new ATOM 0 HA GLU A 44 3.926 -12.709 -2.854 1.00 14.53 H new ATOM 0 HB2 GLU A 44 5.653 -14.501 -1.775 1.00 30.42 H new ATOM 0 HB3 GLU A 44 4.758 -14.114 -0.319 1.00 30.42 H new ATOM 0 HG2 GLU A 44 3.590 -15.250 -2.899 1.00 61.32 H new ATOM 0 HG3 GLU A 44 3.853 -16.131 -1.407 1.00 61.32 H new ATOM 625 N TYR A 45 2.404 -11.544 -1.245 1.00 21.15 N ATOM 626 CA TYR A 45 1.509 -10.646 -0.477 1.00 12.31 C ATOM 627 C TYR A 45 1.145 -11.218 0.922 1.00 53.32 C ATOM 628 O TYR A 45 0.507 -12.271 1.027 1.00 60.30 O ATOM 629 CB TYR A 45 0.234 -10.395 -1.329 1.00 31.34 C ATOM 630 CG TYR A 45 -0.800 -9.400 -0.753 1.00 51.44 C ATOM 631 CD1 TYR A 45 -0.503 -8.034 -0.620 1.00 13.05 C ATOM 632 CD2 TYR A 45 -2.082 -9.822 -0.366 1.00 32.33 C ATOM 633 CE1 TYR A 45 -1.440 -7.140 -0.126 1.00 70.13 C ATOM 634 CE2 TYR A 45 -3.017 -8.927 0.120 1.00 22.03 C ATOM 635 CZ TYR A 45 -2.692 -7.590 0.239 1.00 64.41 C ATOM 636 OH TYR A 45 -3.629 -6.702 0.716 1.00 12.02 O ATOM 0 H TYR A 45 1.955 -11.951 -2.066 1.00 21.15 H new ATOM 0 HA TYR A 45 2.030 -9.708 -0.285 1.00 12.31 H new ATOM 0 HB2 TYR A 45 0.545 -10.033 -2.309 1.00 31.34 H new ATOM 0 HB3 TYR A 45 -0.265 -11.352 -1.486 1.00 31.34 H new ATOM 0 HD1 TYR A 45 0.473 -7.673 -0.908 1.00 13.05 H new ATOM 0 HD2 TYR A 45 -2.343 -10.867 -0.450 1.00 32.33 H new ATOM 0 HE1 TYR A 45 -1.191 -6.094 -0.027 1.00 70.13 H new ATOM 0 HE2 TYR A 45 -3.999 -9.273 0.406 1.00 22.03 H new ATOM 0 HH TYR A 45 -4.457 -7.182 0.926 1.00 12.02 H new ATOM 646 N VAL A 46 1.561 -10.505 1.990 1.00 1.31 N ATOM 647 CA VAL A 46 1.175 -10.834 3.386 1.00 75.13 C ATOM 648 C VAL A 46 -0.229 -10.262 3.680 1.00 71.45 C ATOM 649 O VAL A 46 -1.154 -10.983 4.069 1.00 61.21 O ATOM 650 CB VAL A 46 2.190 -10.237 4.447 1.00 53.22 C ATOM 651 CG1 VAL A 46 1.826 -10.634 5.902 1.00 75.11 C ATOM 652 CG2 VAL A 46 3.643 -10.621 4.119 1.00 14.11 C ATOM 0 H VAL A 46 2.170 -9.690 1.914 1.00 1.31 H new ATOM 0 HA VAL A 46 1.185 -11.920 3.476 1.00 75.13 H new ATOM 0 HB VAL A 46 2.104 -9.152 4.379 1.00 53.22 H new ATOM 0 HG11 VAL A 46 2.552 -10.200 6.590 1.00 75.11 H new ATOM 0 HG12 VAL A 46 0.830 -10.261 6.143 1.00 75.11 H new ATOM 0 HG13 VAL A 46 1.840 -11.720 5.997 1.00 75.11 H new ATOM 0 HG21 VAL A 46 4.310 -10.194 4.868 1.00 14.11 H new ATOM 0 HG22 VAL A 46 3.742 -11.707 4.122 1.00 14.11 H new ATOM 0 HG23 VAL A 46 3.908 -10.235 3.135 1.00 14.11 H new ATOM 662 N GLY A 47 -0.357 -8.944 3.460 1.00 23.53 N ATOM 663 CA GLY A 47 -1.575 -8.197 3.789 1.00 51.30 C ATOM 664 C GLY A 47 -1.372 -6.681 3.704 1.00 72.43 C ATOM 665 O GLY A 47 -0.334 -6.214 3.225 1.00 25.21 O ATOM 0 H GLY A 47 0.380 -8.370 3.050 1.00 23.53 H new ATOM 0 HA2 GLY A 47 -2.374 -8.492 3.109 1.00 51.30 H new ATOM 0 HA3 GLY A 47 -1.899 -8.461 4.795 1.00 51.30 H new ATOM 669 N THR A 48 -2.366 -5.918 4.174 1.00 70.05 N ATOM 670 CA THR A 48 -2.342 -4.434 4.157 1.00 31.21 C ATOM 671 C THR A 48 -2.605 -3.867 5.568 1.00 64.32 C ATOM 672 O THR A 48 -3.532 -4.300 6.262 1.00 65.35 O ATOM 673 CB THR A 48 -3.401 -3.876 3.146 1.00 72.40 C ATOM 674 OG1 THR A 48 -2.981 -4.163 1.805 1.00 51.32 O ATOM 675 CG2 THR A 48 -3.653 -2.359 3.280 1.00 51.14 C ATOM 0 H THR A 48 -3.217 -6.306 4.581 1.00 70.05 H new ATOM 0 HA THR A 48 -1.350 -4.116 3.834 1.00 31.21 H new ATOM 0 HB THR A 48 -4.341 -4.374 3.383 1.00 72.40 H new ATOM 0 HG1 THR A 48 -3.267 -5.067 1.559 1.00 51.32 H new ATOM 0 HG21 THR A 48 -4.398 -2.048 2.547 1.00 51.14 H new ATOM 0 HG22 THR A 48 -4.017 -2.138 4.283 1.00 51.14 H new ATOM 0 HG23 THR A 48 -2.723 -1.819 3.104 1.00 51.14 H new ATOM 683 N ASP A 49 -1.785 -2.884 5.968 1.00 3.00 N ATOM 684 CA ASP A 49 -1.905 -2.187 7.260 1.00 21.21 C ATOM 685 C ASP A 49 -2.100 -0.670 7.006 1.00 14.32 C ATOM 686 O ASP A 49 -1.244 -0.030 6.391 1.00 51.11 O ATOM 687 CB ASP A 49 -0.635 -2.454 8.105 1.00 62.53 C ATOM 688 CG ASP A 49 -0.760 -1.947 9.547 1.00 34.33 C ATOM 689 OD1 ASP A 49 -1.381 -2.645 10.374 1.00 34.41 O ATOM 690 OD2 ASP A 49 -0.253 -0.844 9.861 1.00 31.25 O ATOM 0 H ASP A 49 -1.010 -2.546 5.398 1.00 3.00 H new ATOM 0 HA ASP A 49 -2.769 -2.558 7.812 1.00 21.21 H new ATOM 0 HB2 ASP A 49 -0.432 -3.525 8.118 1.00 62.53 H new ATOM 0 HB3 ASP A 49 0.220 -1.973 7.629 1.00 62.53 H new ATOM 695 N GLY A 50 -3.221 -0.104 7.494 1.00 11.31 N ATOM 696 CA GLY A 50 -3.607 1.290 7.185 1.00 11.41 C ATOM 697 C GLY A 50 -4.658 1.367 6.077 1.00 64.12 C ATOM 698 O GLY A 50 -4.672 0.520 5.172 1.00 23.21 O ATOM 0 H GLY A 50 -3.877 -0.590 8.105 1.00 11.31 H new ATOM 0 HA2 GLY A 50 -3.996 1.766 8.086 1.00 11.41 H new ATOM 0 HA3 GLY A 50 -2.723 1.852 6.884 1.00 11.41 H new ATOM 702 N GLY A 51 -5.531 2.395 6.129 1.00 65.23 N ATOM 703 CA GLY A 51 -6.659 2.518 5.190 1.00 12.24 C ATOM 704 C GLY A 51 -7.686 1.385 5.326 1.00 53.35 C ATOM 705 O GLY A 51 -7.812 0.770 6.394 1.00 40.53 O ATOM 0 H GLY A 51 -5.474 3.150 6.812 1.00 65.23 H new ATOM 0 HA2 GLY A 51 -7.158 3.473 5.354 1.00 12.24 H new ATOM 0 HA3 GLY A 51 -6.275 2.531 4.170 1.00 12.24 H new ATOM 709 N VAL A 52 -8.436 1.123 4.245 1.00 21.10 N ATOM 710 CA VAL A 52 -9.371 -0.025 4.166 1.00 71.31 C ATOM 711 C VAL A 52 -9.031 -0.857 2.909 1.00 30.23 C ATOM 712 O VAL A 52 -9.259 -0.406 1.788 1.00 71.23 O ATOM 713 CB VAL A 52 -10.886 0.440 4.114 1.00 25.12 C ATOM 714 CG1 VAL A 52 -11.858 -0.769 4.080 1.00 74.41 C ATOM 715 CG2 VAL A 52 -11.229 1.387 5.291 1.00 30.44 C ATOM 0 H VAL A 52 -8.417 1.695 3.400 1.00 21.10 H new ATOM 0 HA VAL A 52 -9.252 -0.626 5.067 1.00 71.31 H new ATOM 0 HB VAL A 52 -11.016 0.996 3.185 1.00 25.12 H new ATOM 0 HG11 VAL A 52 -12.886 -0.408 4.045 1.00 74.41 H new ATOM 0 HG12 VAL A 52 -11.655 -1.374 3.196 1.00 74.41 H new ATOM 0 HG13 VAL A 52 -11.717 -1.375 4.975 1.00 74.41 H new ATOM 0 HG21 VAL A 52 -12.275 1.686 5.224 1.00 30.44 H new ATOM 0 HG22 VAL A 52 -11.059 0.870 6.235 1.00 30.44 H new ATOM 0 HG23 VAL A 52 -10.595 2.272 5.243 1.00 30.44 H new ATOM 725 N VAL A 53 -8.463 -2.059 3.093 1.00 1.32 N ATOM 726 CA VAL A 53 -8.152 -2.963 1.961 1.00 31.31 C ATOM 727 C VAL A 53 -9.451 -3.626 1.424 1.00 3.44 C ATOM 728 O VAL A 53 -10.380 -3.908 2.189 1.00 54.13 O ATOM 729 CB VAL A 53 -7.081 -4.057 2.352 1.00 3.43 C ATOM 730 CG1 VAL A 53 -7.561 -4.960 3.509 1.00 32.20 C ATOM 731 CG2 VAL A 53 -6.639 -4.901 1.125 1.00 21.22 C ATOM 0 H VAL A 53 -8.209 -2.431 4.008 1.00 1.32 H new ATOM 0 HA VAL A 53 -7.714 -2.357 1.168 1.00 31.31 H new ATOM 0 HB VAL A 53 -6.206 -3.515 2.710 1.00 3.43 H new ATOM 0 HG11 VAL A 53 -6.790 -5.695 3.741 1.00 32.20 H new ATOM 0 HG12 VAL A 53 -7.756 -4.349 4.390 1.00 32.20 H new ATOM 0 HG13 VAL A 53 -8.476 -5.474 3.214 1.00 32.20 H new ATOM 0 HG21 VAL A 53 -5.902 -5.641 1.439 1.00 21.22 H new ATOM 0 HG22 VAL A 53 -7.506 -5.409 0.701 1.00 21.22 H new ATOM 0 HG23 VAL A 53 -6.198 -4.247 0.373 1.00 21.22 H new ATOM 741 N SER A 54 -9.508 -3.831 0.097 1.00 35.42 N ATOM 742 CA SER A 54 -10.629 -4.530 -0.586 1.00 62.25 C ATOM 743 C SER A 54 -10.834 -5.967 -0.052 1.00 3.31 C ATOM 744 O SER A 54 -9.893 -6.591 0.446 1.00 21.04 O ATOM 745 CB SER A 54 -10.359 -4.584 -2.111 1.00 41.32 C ATOM 746 OG SER A 54 -11.342 -5.341 -2.805 1.00 24.22 O ATOM 0 H SER A 54 -8.778 -3.518 -0.542 1.00 35.42 H new ATOM 0 HA SER A 54 -11.538 -3.965 -0.381 1.00 62.25 H new ATOM 0 HB2 SER A 54 -10.336 -3.570 -2.510 1.00 41.32 H new ATOM 0 HB3 SER A 54 -9.376 -5.019 -2.289 1.00 41.32 H new ATOM 0 HG SER A 54 -11.134 -5.348 -3.763 1.00 24.22 H new ATOM 752 N SER A 55 -12.069 -6.489 -0.196 1.00 60.24 N ATOM 753 CA SER A 55 -12.415 -7.880 0.196 1.00 35.22 C ATOM 754 C SER A 55 -11.647 -8.923 -0.658 1.00 11.13 C ATOM 755 O SER A 55 -11.435 -10.061 -0.226 1.00 14.14 O ATOM 756 CB SER A 55 -13.934 -8.109 0.055 1.00 71.51 C ATOM 757 OG SER A 55 -14.363 -7.948 -1.292 1.00 1.03 O ATOM 0 H SER A 55 -12.854 -5.966 -0.584 1.00 60.24 H new ATOM 0 HA SER A 55 -12.120 -8.013 1.237 1.00 35.22 H new ATOM 0 HB2 SER A 55 -14.185 -9.112 0.401 1.00 71.51 H new ATOM 0 HB3 SER A 55 -14.470 -7.408 0.695 1.00 71.51 H new ATOM 0 HG SER A 55 -15.329 -8.101 -1.348 1.00 1.03 H new ATOM 763 N ASP A 56 -11.238 -8.512 -1.875 1.00 51.42 N ATOM 764 CA ASP A 56 -10.407 -9.334 -2.786 1.00 70.10 C ATOM 765 C ASP A 56 -8.902 -9.265 -2.412 1.00 73.14 C ATOM 766 O ASP A 56 -8.111 -10.126 -2.818 1.00 1.11 O ATOM 767 CB ASP A 56 -10.588 -8.822 -4.238 1.00 61.22 C ATOM 768 CG ASP A 56 -12.063 -8.725 -4.647 1.00 11.12 C ATOM 769 OD1 ASP A 56 -12.696 -7.675 -4.384 1.00 3.31 O ATOM 770 OD2 ASP A 56 -12.601 -9.693 -5.218 1.00 23.44 O ATOM 0 H ASP A 56 -11.474 -7.597 -2.258 1.00 51.42 H new ATOM 0 HA ASP A 56 -10.733 -10.370 -2.696 1.00 70.10 H new ATOM 0 HB2 ASP A 56 -10.122 -7.841 -4.335 1.00 61.22 H new ATOM 0 HB3 ASP A 56 -10.068 -9.491 -4.923 1.00 61.22 H new ATOM 775 N GLY A 57 -8.519 -8.217 -1.644 1.00 71.43 N ATOM 776 CA GLY A 57 -7.103 -7.924 -1.341 1.00 71.02 C ATOM 777 C GLY A 57 -6.312 -7.364 -2.540 1.00 31.31 C ATOM 778 O GLY A 57 -5.101 -7.147 -2.438 1.00 1.42 O ATOM 0 H GLY A 57 -9.176 -7.560 -1.223 1.00 71.43 H new ATOM 0 HA2 GLY A 57 -7.058 -7.207 -0.521 1.00 71.02 H new ATOM 0 HA3 GLY A 57 -6.619 -8.837 -0.993 1.00 71.02 H new ATOM 782 N LYS A 58 -7.008 -7.151 -3.681 1.00 62.11 N ATOM 783 CA LYS A 58 -6.391 -6.675 -4.942 1.00 43.50 C ATOM 784 C LYS A 58 -6.142 -5.148 -4.922 1.00 51.44 C ATOM 785 O LYS A 58 -5.150 -4.673 -5.466 1.00 23.45 O ATOM 786 CB LYS A 58 -7.298 -7.064 -6.145 1.00 51.02 C ATOM 787 CG LYS A 58 -6.809 -6.572 -7.533 1.00 34.11 C ATOM 788 CD LYS A 58 -5.409 -7.117 -7.917 1.00 25.32 C ATOM 789 CE LYS A 58 -4.924 -6.590 -9.277 1.00 72.33 C ATOM 790 NZ LYS A 58 -5.886 -6.893 -10.368 1.00 74.04 N ATOM 0 H LYS A 58 -8.014 -7.304 -3.754 1.00 62.11 H new ATOM 0 HA LYS A 58 -5.419 -7.157 -5.047 1.00 43.50 H new ATOM 0 HB2 LYS A 58 -7.388 -8.150 -6.174 1.00 51.02 H new ATOM 0 HB3 LYS A 58 -8.297 -6.666 -5.969 1.00 51.02 H new ATOM 0 HG2 LYS A 58 -7.530 -6.874 -8.293 1.00 34.11 H new ATOM 0 HG3 LYS A 58 -6.781 -5.482 -7.536 1.00 34.11 H new ATOM 0 HD2 LYS A 58 -4.690 -6.839 -7.146 1.00 25.32 H new ATOM 0 HD3 LYS A 58 -5.442 -8.206 -7.944 1.00 25.32 H new ATOM 0 HE2 LYS A 58 -4.774 -5.512 -9.215 1.00 72.33 H new ATOM 0 HE3 LYS A 58 -3.957 -7.033 -9.513 1.00 72.33 H new ATOM 0 HZ1 LYS A 58 -5.456 -6.659 -11.285 1.00 74.04 H new ATOM 0 HZ2 LYS A 58 -6.127 -7.904 -10.347 1.00 74.04 H new ATOM 0 HZ3 LYS A 58 -6.749 -6.328 -10.236 1.00 74.04 H new ATOM 804 N THR A 59 -7.072 -4.391 -4.317 1.00 64.43 N ATOM 805 CA THR A 59 -6.977 -2.911 -4.201 1.00 22.33 C ATOM 806 C THR A 59 -7.002 -2.480 -2.720 1.00 40.41 C ATOM 807 O THR A 59 -7.369 -3.260 -1.841 1.00 22.53 O ATOM 808 CB THR A 59 -8.142 -2.181 -4.968 1.00 1.13 C ATOM 809 OG1 THR A 59 -9.409 -2.520 -4.387 1.00 44.44 O ATOM 810 CG2 THR A 59 -8.170 -2.535 -6.467 1.00 22.44 C ATOM 0 H THR A 59 -7.914 -4.780 -3.892 1.00 64.43 H new ATOM 0 HA THR A 59 -6.030 -2.620 -4.657 1.00 22.33 H new ATOM 0 HB THR A 59 -7.956 -1.111 -4.875 1.00 1.13 H new ATOM 0 HG1 THR A 59 -10.125 -2.059 -4.872 1.00 44.44 H new ATOM 0 HG21 THR A 59 -8.991 -2.006 -6.950 1.00 22.44 H new ATOM 0 HG22 THR A 59 -7.227 -2.240 -6.928 1.00 22.44 H new ATOM 0 HG23 THR A 59 -8.311 -3.609 -6.585 1.00 22.44 H new ATOM 818 N VAL A 60 -6.571 -1.238 -2.457 1.00 31.42 N ATOM 819 CA VAL A 60 -6.685 -0.581 -1.134 1.00 15.52 C ATOM 820 C VAL A 60 -7.334 0.806 -1.318 1.00 0.14 C ATOM 821 O VAL A 60 -6.945 1.562 -2.217 1.00 45.53 O ATOM 822 CB VAL A 60 -5.277 -0.406 -0.434 1.00 40.44 C ATOM 823 CG1 VAL A 60 -5.399 0.294 0.947 1.00 54.35 C ATOM 824 CG2 VAL A 60 -4.553 -1.760 -0.293 1.00 41.51 C ATOM 0 H VAL A 60 -6.127 -0.649 -3.161 1.00 31.42 H new ATOM 0 HA VAL A 60 -7.298 -1.217 -0.495 1.00 15.52 H new ATOM 0 HB VAL A 60 -4.679 0.238 -1.079 1.00 40.44 H new ATOM 0 HG11 VAL A 60 -4.409 0.394 1.393 1.00 54.35 H new ATOM 0 HG12 VAL A 60 -5.840 1.282 0.816 1.00 54.35 H new ATOM 0 HG13 VAL A 60 -6.034 -0.302 1.602 1.00 54.35 H new ATOM 0 HG21 VAL A 60 -3.588 -1.608 0.191 1.00 41.51 H new ATOM 0 HG22 VAL A 60 -5.159 -2.436 0.310 1.00 41.51 H new ATOM 0 HG23 VAL A 60 -4.399 -2.195 -1.281 1.00 41.51 H new ATOM 834 N THR A 61 -8.338 1.121 -0.487 1.00 64.41 N ATOM 835 CA THR A 61 -8.939 2.463 -0.440 1.00 51.21 C ATOM 836 C THR A 61 -8.244 3.320 0.652 1.00 43.13 C ATOM 837 O THR A 61 -8.427 3.085 1.851 1.00 11.24 O ATOM 838 CB THR A 61 -10.489 2.406 -0.196 1.00 13.42 C ATOM 839 OG1 THR A 61 -10.790 1.846 1.090 1.00 11.33 O ATOM 840 CG2 THR A 61 -11.205 1.573 -1.275 1.00 70.33 C ATOM 0 H THR A 61 -8.754 0.458 0.167 1.00 64.41 H new ATOM 0 HA THR A 61 -8.785 2.930 -1.413 1.00 51.21 H new ATOM 0 HB THR A 61 -10.848 3.434 -0.242 1.00 13.42 H new ATOM 0 HG1 THR A 61 -10.226 1.059 1.244 1.00 11.33 H new ATOM 0 HG21 THR A 61 -12.276 1.557 -1.072 1.00 70.33 H new ATOM 0 HG22 THR A 61 -11.028 2.017 -2.255 1.00 70.33 H new ATOM 0 HG23 THR A 61 -10.819 0.554 -1.264 1.00 70.33 H new ATOM 848 N ILE A 62 -7.410 4.288 0.222 1.00 25.30 N ATOM 849 CA ILE A 62 -6.625 5.146 1.143 1.00 45.42 C ATOM 850 C ILE A 62 -7.322 6.511 1.315 1.00 22.30 C ATOM 851 O ILE A 62 -7.633 7.174 0.323 1.00 52.21 O ATOM 852 CB ILE A 62 -5.142 5.415 0.637 1.00 61.00 C ATOM 853 CG1 ILE A 62 -4.435 4.118 0.099 1.00 15.10 C ATOM 854 CG2 ILE A 62 -4.300 6.068 1.758 1.00 3.03 C ATOM 855 CD1 ILE A 62 -4.709 3.818 -1.364 1.00 72.54 C ATOM 0 H ILE A 62 -7.260 4.499 -0.765 1.00 25.30 H new ATOM 0 HA ILE A 62 -6.570 4.603 2.087 1.00 45.42 H new ATOM 0 HB ILE A 62 -5.216 6.103 -0.206 1.00 61.00 H new ATOM 0 HG12 ILE A 62 -3.359 4.219 0.242 1.00 15.10 H new ATOM 0 HG13 ILE A 62 -4.758 3.267 0.699 1.00 15.10 H new ATOM 0 HG21 ILE A 62 -3.287 6.246 1.396 1.00 3.03 H new ATOM 0 HG22 ILE A 62 -4.753 7.016 2.048 1.00 3.03 H new ATOM 0 HG23 ILE A 62 -4.265 5.403 2.621 1.00 3.03 H new ATOM 0 HD11 ILE A 62 -4.184 2.908 -1.653 1.00 72.54 H new ATOM 0 HD12 ILE A 62 -5.780 3.682 -1.513 1.00 72.54 H new ATOM 0 HD13 ILE A 62 -4.360 4.649 -1.977 1.00 72.54 H new ATOM 867 N THR A 63 -7.531 6.943 2.567 1.00 14.33 N ATOM 868 CA THR A 63 -8.138 8.263 2.857 1.00 13.11 C ATOM 869 C THR A 63 -7.027 9.281 3.214 1.00 50.24 C ATOM 870 O THR A 63 -6.088 8.955 3.950 1.00 21.42 O ATOM 871 CB THR A 63 -9.197 8.181 4.011 1.00 75.02 C ATOM 872 OG1 THR A 63 -10.046 7.030 3.816 1.00 11.31 O ATOM 873 CG2 THR A 63 -10.079 9.447 4.047 1.00 43.24 C ATOM 0 H THR A 63 -7.291 6.403 3.398 1.00 14.33 H new ATOM 0 HA THR A 63 -8.663 8.595 1.962 1.00 13.11 H new ATOM 0 HB THR A 63 -8.658 8.097 4.955 1.00 75.02 H new ATOM 0 HG1 THR A 63 -10.704 6.983 4.540 1.00 11.31 H new ATOM 0 HG21 THR A 63 -10.804 9.362 4.857 1.00 43.24 H new ATOM 0 HG22 THR A 63 -9.452 10.323 4.212 1.00 43.24 H new ATOM 0 HG23 THR A 63 -10.605 9.551 3.098 1.00 43.24 H new ATOM 881 N PHE A 64 -7.159 10.515 2.704 1.00 14.14 N ATOM 882 CA PHE A 64 -6.082 11.537 2.742 1.00 3.14 C ATOM 883 C PHE A 64 -6.019 12.280 4.100 1.00 30.12 C ATOM 884 O PHE A 64 -7.055 12.632 4.679 1.00 64.10 O ATOM 885 CB PHE A 64 -6.295 12.532 1.574 1.00 63.13 C ATOM 886 CG PHE A 64 -6.387 11.839 0.215 1.00 23.41 C ATOM 887 CD1 PHE A 64 -5.243 11.534 -0.507 1.00 3.43 C ATOM 888 CD2 PHE A 64 -7.622 11.479 -0.330 1.00 71.41 C ATOM 889 CE1 PHE A 64 -5.322 10.900 -1.722 1.00 45.42 C ATOM 890 CE2 PHE A 64 -7.703 10.844 -1.546 1.00 14.12 C ATOM 891 CZ PHE A 64 -6.550 10.560 -2.244 1.00 50.40 C ATOM 0 H PHE A 64 -8.013 10.840 2.251 1.00 14.14 H new ATOM 0 HA PHE A 64 -5.123 11.031 2.629 1.00 3.14 H new ATOM 0 HB2 PHE A 64 -7.208 13.101 1.749 1.00 63.13 H new ATOM 0 HB3 PHE A 64 -5.472 13.247 1.557 1.00 63.13 H new ATOM 0 HD1 PHE A 64 -4.275 11.799 -0.107 1.00 3.43 H new ATOM 0 HD2 PHE A 64 -8.528 11.703 0.213 1.00 71.41 H new ATOM 0 HE1 PHE A 64 -4.420 10.668 -2.269 1.00 45.42 H new ATOM 0 HE2 PHE A 64 -8.665 10.569 -1.952 1.00 14.12 H new ATOM 0 HZ PHE A 64 -6.609 10.069 -3.204 1.00 50.40 H new ATOM 901 N ALA A 65 -4.788 12.489 4.608 1.00 10.44 N ATOM 902 CA ALA A 65 -4.535 13.206 5.882 1.00 51.34 C ATOM 903 C ALA A 65 -3.306 14.138 5.763 1.00 62.15 C ATOM 904 O ALA A 65 -2.361 13.837 5.029 1.00 41.20 O ATOM 905 CB ALA A 65 -4.333 12.196 7.030 1.00 21.14 C ATOM 0 H ALA A 65 -3.937 12.166 4.148 1.00 10.44 H new ATOM 0 HA ALA A 65 -5.406 13.824 6.103 1.00 51.34 H new ATOM 0 HB1 ALA A 65 -4.148 12.734 7.960 1.00 21.14 H new ATOM 0 HB2 ALA A 65 -5.228 11.583 7.137 1.00 21.14 H new ATOM 0 HB3 ALA A 65 -3.480 11.556 6.806 1.00 21.14 H new ATOM 911 N ALA A 66 -3.340 15.276 6.493 1.00 24.04 N ATOM 912 CA ALA A 66 -2.189 16.208 6.610 1.00 41.32 C ATOM 913 C ALA A 66 -1.071 15.624 7.506 1.00 44.13 C ATOM 914 O ALA A 66 0.095 16.022 7.402 1.00 63.44 O ATOM 915 CB ALA A 66 -2.656 17.565 7.168 1.00 4.03 C ATOM 0 H ALA A 66 -4.162 15.576 7.017 1.00 24.04 H new ATOM 0 HA ALA A 66 -1.777 16.351 5.611 1.00 41.32 H new ATOM 0 HB1 ALA A 66 -1.803 18.238 7.249 1.00 4.03 H new ATOM 0 HB2 ALA A 66 -3.398 17.998 6.497 1.00 4.03 H new ATOM 0 HB3 ALA A 66 -3.098 17.420 8.154 1.00 4.03 H new ATOM 921 N ASP A 67 -1.452 14.686 8.392 1.00 13.52 N ATOM 922 CA ASP A 67 -0.524 13.993 9.311 1.00 23.23 C ATOM 923 C ASP A 67 0.134 12.775 8.631 1.00 74.15 C ATOM 924 O ASP A 67 -0.282 12.357 7.549 1.00 71.11 O ATOM 925 CB ASP A 67 -1.302 13.524 10.567 1.00 75.54 C ATOM 926 CG ASP A 67 -2.006 14.683 11.278 1.00 72.40 C ATOM 927 OD1 ASP A 67 -1.328 15.447 11.992 1.00 71.52 O ATOM 928 OD2 ASP A 67 -3.235 14.844 11.114 1.00 3.13 O ATOM 0 H ASP A 67 -2.421 14.383 8.493 1.00 13.52 H new ATOM 0 HA ASP A 67 0.264 14.692 9.594 1.00 23.23 H new ATOM 0 HB2 ASP A 67 -2.040 12.776 10.277 1.00 75.54 H new ATOM 0 HB3 ASP A 67 -0.613 13.040 11.259 1.00 75.54 H new ATOM 933 N ASP A 68 1.115 12.167 9.328 1.00 45.33 N ATOM 934 CA ASP A 68 1.786 10.916 8.898 1.00 61.40 C ATOM 935 C ASP A 68 0.952 9.648 9.270 1.00 72.24 C ATOM 936 O ASP A 68 1.497 8.552 9.441 1.00 51.24 O ATOM 937 CB ASP A 68 3.210 10.862 9.510 1.00 3.41 C ATOM 938 CG ASP A 68 4.134 11.959 8.951 1.00 4.52 C ATOM 939 OD1 ASP A 68 4.054 13.115 9.416 1.00 43.22 O ATOM 940 OD2 ASP A 68 4.939 11.673 8.038 1.00 3.21 O ATOM 0 H ASP A 68 1.469 12.531 10.213 1.00 45.33 H new ATOM 0 HA ASP A 68 1.866 10.919 7.811 1.00 61.40 H new ATOM 0 HB2 ASP A 68 3.141 10.967 10.593 1.00 3.41 H new ATOM 0 HB3 ASP A 68 3.650 9.885 9.312 1.00 3.41 H new ATOM 945 N SER A 69 -0.379 9.818 9.389 1.00 63.21 N ATOM 946 CA SER A 69 -1.353 8.705 9.484 1.00 45.52 C ATOM 947 C SER A 69 -1.913 8.327 8.086 1.00 42.13 C ATOM 948 O SER A 69 -2.608 7.317 7.944 1.00 53.01 O ATOM 949 CB SER A 69 -2.516 9.106 10.427 1.00 2.20 C ATOM 950 OG SER A 69 -2.046 9.435 11.730 1.00 1.10 O ATOM 0 H SER A 69 -0.816 10.739 9.423 1.00 63.21 H new ATOM 0 HA SER A 69 -0.837 7.834 9.889 1.00 45.52 H new ATOM 0 HB2 SER A 69 -3.049 9.959 10.006 1.00 2.20 H new ATOM 0 HB3 SER A 69 -3.230 8.285 10.494 1.00 2.20 H new ATOM 0 HG SER A 69 -2.805 9.685 12.298 1.00 1.10 H new ATOM 956 N ASP A 70 -1.595 9.159 7.068 1.00 30.34 N ATOM 957 CA ASP A 70 -2.057 8.997 5.666 1.00 23.21 C ATOM 958 C ASP A 70 -1.556 7.677 5.023 1.00 64.33 C ATOM 959 O ASP A 70 -2.273 7.019 4.261 1.00 22.04 O ATOM 960 CB ASP A 70 -1.543 10.207 4.827 1.00 11.32 C ATOM 961 CG ASP A 70 0.002 10.227 4.689 1.00 32.21 C ATOM 962 OD1 ASP A 70 0.696 10.385 5.715 1.00 63.30 O ATOM 963 OD2 ASP A 70 0.527 10.017 3.579 1.00 24.33 O ATOM 0 H ASP A 70 -1.000 9.977 7.198 1.00 30.34 H new ATOM 0 HA ASP A 70 -3.146 8.958 5.675 1.00 23.21 H new ATOM 0 HB2 ASP A 70 -1.992 10.172 3.834 1.00 11.32 H new ATOM 0 HB3 ASP A 70 -1.874 11.135 5.294 1.00 11.32 H new ATOM 968 N ASN A 71 -0.300 7.331 5.348 1.00 5.20 N ATOM 969 CA ASN A 71 0.468 6.298 4.643 1.00 35.43 C ATOM 970 C ASN A 71 0.039 4.853 4.999 1.00 31.01 C ATOM 971 O ASN A 71 -0.074 4.483 6.172 1.00 51.42 O ATOM 972 CB ASN A 71 1.984 6.520 4.865 1.00 73.52 C ATOM 973 CG ASN A 71 2.383 6.673 6.332 1.00 31.21 C ATOM 974 OD1 ASN A 71 2.708 5.706 7.015 1.00 54.43 O ATOM 975 ND2 ASN A 71 2.369 7.893 6.824 1.00 34.34 N ATOM 0 H ASN A 71 0.213 7.766 6.115 1.00 5.20 H new ATOM 0 HA ASN A 71 0.245 6.405 3.581 1.00 35.43 H new ATOM 0 HB2 ASN A 71 2.530 5.680 4.437 1.00 73.52 H new ATOM 0 HB3 ASN A 71 2.293 7.412 4.320 1.00 73.52 H new ATOM 0 HD21 ASN A 71 2.633 8.054 7.796 1.00 34.34 H new ATOM 0 HD22 ASN A 71 2.095 8.678 6.233 1.00 34.34 H new ATOM 982 N VAL A 72 -0.196 4.056 3.940 1.00 2.03 N ATOM 983 CA VAL A 72 -0.567 2.632 4.037 1.00 45.11 C ATOM 984 C VAL A 72 0.663 1.745 3.764 1.00 45.31 C ATOM 985 O VAL A 72 1.339 1.905 2.745 1.00 71.14 O ATOM 986 CB VAL A 72 -1.717 2.291 3.017 1.00 22.04 C ATOM 987 CG1 VAL A 72 -2.019 0.777 2.964 1.00 70.11 C ATOM 988 CG2 VAL A 72 -2.991 3.095 3.348 1.00 24.52 C ATOM 0 H VAL A 72 -0.132 4.389 2.978 1.00 2.03 H new ATOM 0 HA VAL A 72 -0.929 2.436 5.046 1.00 45.11 H new ATOM 0 HB VAL A 72 -1.369 2.581 2.026 1.00 22.04 H new ATOM 0 HG11 VAL A 72 -2.819 0.590 2.247 1.00 70.11 H new ATOM 0 HG12 VAL A 72 -1.123 0.238 2.657 1.00 70.11 H new ATOM 0 HG13 VAL A 72 -2.329 0.433 3.951 1.00 70.11 H new ATOM 0 HG21 VAL A 72 -3.775 2.846 2.632 1.00 24.52 H new ATOM 0 HG22 VAL A 72 -3.327 2.847 4.355 1.00 24.52 H new ATOM 0 HG23 VAL A 72 -2.773 4.162 3.291 1.00 24.52 H new ATOM 998 N VAL A 73 0.926 0.797 4.671 1.00 0.43 N ATOM 999 CA VAL A 73 2.051 -0.147 4.563 1.00 73.42 C ATOM 1000 C VAL A 73 1.563 -1.466 3.908 1.00 11.11 C ATOM 1001 O VAL A 73 0.819 -2.233 4.532 1.00 22.22 O ATOM 1002 CB VAL A 73 2.664 -0.465 5.988 1.00 0.15 C ATOM 1003 CG1 VAL A 73 3.983 -1.261 5.871 1.00 23.31 C ATOM 1004 CG2 VAL A 73 2.863 0.819 6.825 1.00 21.53 C ATOM 0 H VAL A 73 0.361 0.660 5.509 1.00 0.43 H new ATOM 0 HA VAL A 73 2.824 0.312 3.947 1.00 73.42 H new ATOM 0 HB VAL A 73 1.943 -1.091 6.514 1.00 0.15 H new ATOM 0 HG11 VAL A 73 4.376 -1.462 6.868 1.00 23.31 H new ATOM 0 HG12 VAL A 73 3.795 -2.204 5.358 1.00 23.31 H new ATOM 0 HG13 VAL A 73 4.710 -0.679 5.305 1.00 23.31 H new ATOM 0 HG21 VAL A 73 3.285 0.559 7.796 1.00 21.53 H new ATOM 0 HG22 VAL A 73 3.542 1.492 6.302 1.00 21.53 H new ATOM 0 HG23 VAL A 73 1.902 1.313 6.968 1.00 21.53 H new ATOM 1014 N ILE A 74 1.954 -1.712 2.643 1.00 4.12 N ATOM 1015 CA ILE A 74 1.659 -2.984 1.952 1.00 14.23 C ATOM 1016 C ILE A 74 2.770 -4.002 2.280 1.00 43.10 C ATOM 1017 O ILE A 74 3.931 -3.810 1.910 1.00 62.11 O ATOM 1018 CB ILE A 74 1.548 -2.821 0.389 1.00 71.23 C ATOM 1019 CG1 ILE A 74 0.541 -1.689 0.010 1.00 11.21 C ATOM 1020 CG2 ILE A 74 1.155 -4.169 -0.283 1.00 12.25 C ATOM 1021 CD1 ILE A 74 -0.890 -1.907 0.475 1.00 33.31 C ATOM 0 H ILE A 74 2.477 -1.044 2.076 1.00 4.12 H new ATOM 0 HA ILE A 74 0.689 -3.331 2.308 1.00 14.23 H new ATOM 0 HB ILE A 74 2.529 -2.531 0.012 1.00 71.23 H new ATOM 0 HG12 ILE A 74 0.902 -0.750 0.429 1.00 11.21 H new ATOM 0 HG13 ILE A 74 0.540 -1.575 -1.074 1.00 11.21 H new ATOM 0 HG21 ILE A 74 1.085 -4.031 -1.362 1.00 12.25 H new ATOM 0 HG22 ILE A 74 1.913 -4.920 -0.062 1.00 12.25 H new ATOM 0 HG23 ILE A 74 0.192 -4.501 0.104 1.00 12.25 H new ATOM 0 HD11 ILE A 74 -1.507 -1.065 0.161 1.00 33.31 H new ATOM 0 HD12 ILE A 74 -1.279 -2.826 0.036 1.00 33.31 H new ATOM 0 HD13 ILE A 74 -0.911 -1.987 1.562 1.00 33.31 H new ATOM 1033 N HIS A 75 2.392 -5.078 2.968 1.00 31.15 N ATOM 1034 CA HIS A 75 3.334 -6.086 3.479 1.00 0.30 C ATOM 1035 C HIS A 75 3.578 -7.216 2.451 1.00 3.03 C ATOM 1036 O HIS A 75 2.626 -7.763 1.879 1.00 10.41 O ATOM 1037 CB HIS A 75 2.793 -6.650 4.809 1.00 51.53 C ATOM 1038 CG HIS A 75 2.768 -5.630 5.920 1.00 1.50 C ATOM 1039 ND1 HIS A 75 3.827 -5.437 6.777 1.00 41.42 N ATOM 1040 CD2 HIS A 75 1.822 -4.735 6.300 1.00 15.34 C ATOM 1041 CE1 HIS A 75 3.538 -4.482 7.631 1.00 61.13 C ATOM 1042 NE2 HIS A 75 2.332 -4.037 7.365 1.00 33.41 N ATOM 0 H HIS A 75 1.418 -5.281 3.191 1.00 31.15 H new ATOM 0 HA HIS A 75 4.299 -5.610 3.652 1.00 0.30 H new ATOM 0 HB2 HIS A 75 1.784 -7.031 4.651 1.00 51.53 H new ATOM 0 HB3 HIS A 75 3.409 -7.496 5.115 1.00 51.53 H new ATOM 0 HD1 HIS A 75 4.704 -5.957 6.753 1.00 41.42 H new ATOM 0 HD2 HIS A 75 0.850 -4.598 5.849 1.00 15.34 H new ATOM 0 HE1 HIS A 75 4.184 -4.123 8.419 1.00 61.13 H new ATOM 1051 N LEU A 76 4.869 -7.545 2.235 1.00 34.23 N ATOM 1052 CA LEU A 76 5.331 -8.617 1.311 1.00 42.50 C ATOM 1053 C LEU A 76 6.352 -9.527 2.039 1.00 31.42 C ATOM 1054 O LEU A 76 6.831 -9.181 3.109 1.00 11.13 O ATOM 1055 CB LEU A 76 5.981 -8.005 0.030 1.00 31.45 C ATOM 1056 CG LEU A 76 5.064 -7.077 -0.830 1.00 42.11 C ATOM 1057 CD1 LEU A 76 5.832 -6.453 -2.018 1.00 2.54 C ATOM 1058 CD2 LEU A 76 3.806 -7.830 -1.315 1.00 21.24 C ATOM 0 H LEU A 76 5.639 -7.067 2.704 1.00 34.23 H new ATOM 0 HA LEU A 76 4.468 -9.209 1.006 1.00 42.50 H new ATOM 0 HB2 LEU A 76 6.860 -7.435 0.330 1.00 31.45 H new ATOM 0 HB3 LEU A 76 6.331 -8.822 -0.601 1.00 31.45 H new ATOM 0 HG LEU A 76 4.739 -6.258 -0.188 1.00 42.11 H new ATOM 0 HD11 LEU A 76 5.159 -5.815 -2.591 1.00 2.54 H new ATOM 0 HD12 LEU A 76 6.664 -5.858 -1.641 1.00 2.54 H new ATOM 0 HD13 LEU A 76 6.215 -7.246 -2.660 1.00 2.54 H new ATOM 0 HD21 LEU A 76 3.187 -7.159 -1.911 1.00 21.24 H new ATOM 0 HD22 LEU A 76 4.105 -8.684 -1.923 1.00 21.24 H new ATOM 0 HD23 LEU A 76 3.237 -8.180 -0.454 1.00 21.24 H new ATOM 1070 N LYS A 77 6.656 -10.697 1.462 1.00 64.22 N ATOM 1071 CA LYS A 77 7.665 -11.635 2.021 1.00 14.34 C ATOM 1072 C LYS A 77 8.188 -12.564 0.909 1.00 34.45 C ATOM 1073 O LYS A 77 7.468 -12.845 -0.048 1.00 45.44 O ATOM 1074 CB LYS A 77 7.053 -12.458 3.205 1.00 11.21 C ATOM 1075 CG LYS A 77 5.926 -13.452 2.806 1.00 34.21 C ATOM 1076 CD LYS A 77 5.072 -13.945 4.005 1.00 1.22 C ATOM 1077 CE LYS A 77 5.877 -14.624 5.125 1.00 51.10 C ATOM 1078 NZ LYS A 77 6.512 -15.892 4.687 1.00 63.32 N ATOM 0 H LYS A 77 6.219 -11.027 0.601 1.00 64.22 H new ATOM 0 HA LYS A 77 8.505 -11.062 2.415 1.00 14.34 H new ATOM 0 HB2 LYS A 77 7.853 -13.017 3.690 1.00 11.21 H new ATOM 0 HB3 LYS A 77 6.657 -11.762 3.944 1.00 11.21 H new ATOM 0 HG2 LYS A 77 5.271 -12.972 2.079 1.00 34.21 H new ATOM 0 HG3 LYS A 77 6.373 -14.314 2.312 1.00 34.21 H new ATOM 0 HD2 LYS A 77 4.534 -13.095 4.425 1.00 1.22 H new ATOM 0 HD3 LYS A 77 4.323 -14.646 3.637 1.00 1.22 H new ATOM 0 HE2 LYS A 77 6.648 -13.940 5.479 1.00 51.10 H new ATOM 0 HE3 LYS A 77 5.218 -14.825 5.970 1.00 51.10 H new ATOM 0 HZ1 LYS A 77 7.041 -16.307 5.480 1.00 63.32 H new ATOM 0 HZ2 LYS A 77 5.777 -16.558 4.375 1.00 63.32 H new ATOM 0 HZ3 LYS A 77 7.163 -15.700 3.899 1.00 63.32 H new ATOM 1092 N HIS A 78 9.442 -13.032 1.019 1.00 63.15 N ATOM 1093 CA HIS A 78 10.026 -13.947 0.008 1.00 22.21 C ATOM 1094 C HIS A 78 9.403 -15.364 0.136 1.00 32.01 C ATOM 1095 O HIS A 78 9.462 -15.988 1.206 1.00 64.24 O ATOM 1096 CB HIS A 78 11.569 -13.996 0.132 1.00 75.43 C ATOM 1097 CG HIS A 78 12.238 -12.648 -0.016 1.00 31.01 C ATOM 1098 ND1 HIS A 78 13.355 -12.284 0.700 1.00 53.31 N ATOM 1099 CD2 HIS A 78 11.949 -11.583 -0.806 1.00 21.15 C ATOM 1100 CE1 HIS A 78 13.712 -11.064 0.374 1.00 0.12 C ATOM 1101 NE2 HIS A 78 12.879 -10.608 -0.535 1.00 54.44 N ATOM 0 H HIS A 78 10.071 -12.798 1.788 1.00 63.15 H new ATOM 0 HA HIS A 78 9.789 -13.563 -0.984 1.00 22.21 H new ATOM 0 HB2 HIS A 78 11.833 -14.417 1.102 1.00 75.43 H new ATOM 0 HB3 HIS A 78 11.964 -14.672 -0.627 1.00 75.43 H new ATOM 0 HD1 HIS A 78 13.833 -12.873 1.381 1.00 53.31 H new ATOM 0 HD2 HIS A 78 11.138 -11.514 -1.516 1.00 21.15 H new ATOM 0 HE1 HIS A 78 14.552 -10.524 0.785 1.00 0.12 H new ATOM 1110 N GLY A 79 8.775 -15.837 -0.957 1.00 44.53 N ATOM 1111 CA GLY A 79 8.040 -17.113 -0.961 1.00 64.54 C ATOM 1112 C GLY A 79 7.651 -17.561 -2.367 1.00 63.30 C ATOM 1113 O GLY A 79 7.289 -16.713 -3.199 1.00 75.10 O ATOM 0 H GLY A 79 8.763 -15.350 -1.853 1.00 44.53 H new ATOM 0 HA2 GLY A 79 8.654 -17.883 -0.495 1.00 64.54 H new ATOM 0 HA3 GLY A 79 7.140 -17.012 -0.354 1.00 64.54 H new ATOM 1117 N LEU A 80 7.733 -18.894 -2.623 1.00 51.44 N ATOM 1118 CA LEU A 80 7.568 -19.493 -3.975 1.00 4.41 C ATOM 1119 C LEU A 80 8.670 -18.924 -4.920 1.00 5.00 C ATOM 1120 O LEU A 80 8.429 -18.567 -6.085 1.00 44.23 O ATOM 1121 CB LEU A 80 6.112 -19.270 -4.517 1.00 61.23 C ATOM 1122 CG LEU A 80 5.687 -20.115 -5.771 1.00 23.20 C ATOM 1123 CD1 LEU A 80 5.727 -21.631 -5.475 1.00 60.42 C ATOM 1124 CD2 LEU A 80 4.295 -19.689 -6.296 1.00 50.40 C ATOM 0 H LEU A 80 7.916 -19.585 -1.895 1.00 51.44 H new ATOM 0 HA LEU A 80 7.699 -20.574 -3.924 1.00 4.41 H new ATOM 0 HB2 LEU A 80 5.412 -19.485 -3.709 1.00 61.23 H new ATOM 0 HB3 LEU A 80 5.999 -18.214 -4.764 1.00 61.23 H new ATOM 0 HG LEU A 80 6.415 -19.912 -6.557 1.00 23.20 H new ATOM 0 HD11 LEU A 80 5.427 -22.184 -6.365 1.00 60.42 H new ATOM 0 HD12 LEU A 80 6.739 -21.920 -5.193 1.00 60.42 H new ATOM 0 HD13 LEU A 80 5.043 -21.860 -4.658 1.00 60.42 H new ATOM 0 HD21 LEU A 80 4.033 -20.294 -7.164 1.00 50.40 H new ATOM 0 HD22 LEU A 80 3.551 -19.835 -5.513 1.00 50.40 H new ATOM 0 HD23 LEU A 80 4.320 -18.637 -6.581 1.00 50.40 H new ATOM 1136 N GLU A 81 9.908 -18.868 -4.376 1.00 61.12 N ATOM 1137 CA GLU A 81 11.043 -18.169 -5.005 1.00 60.40 C ATOM 1138 C GLU A 81 11.671 -19.012 -6.141 1.00 14.34 C ATOM 1139 O GLU A 81 11.766 -20.243 -6.047 1.00 22.34 O ATOM 1140 CB GLU A 81 12.098 -17.800 -3.924 1.00 42.25 C ATOM 1141 CG GLU A 81 13.241 -16.882 -4.420 1.00 15.03 C ATOM 1142 CD GLU A 81 12.746 -15.515 -4.951 1.00 41.52 C ATOM 1143 OE1 GLU A 81 12.621 -14.566 -4.140 1.00 60.24 O ATOM 1144 OE2 GLU A 81 12.488 -15.382 -6.178 1.00 51.33 O ATOM 0 H GLU A 81 10.144 -19.308 -3.487 1.00 61.12 H new ATOM 0 HA GLU A 81 10.674 -17.250 -5.461 1.00 60.40 H new ATOM 0 HB2 GLU A 81 11.591 -17.309 -3.094 1.00 42.25 H new ATOM 0 HB3 GLU A 81 12.533 -18.719 -3.532 1.00 42.25 H new ATOM 0 HG2 GLU A 81 13.942 -16.713 -3.603 1.00 15.03 H new ATOM 0 HG3 GLU A 81 13.790 -17.393 -5.211 1.00 15.03 H new ATOM 1151 N HIS A 82 12.132 -18.315 -7.186 1.00 0.45 N ATOM 1152 CA HIS A 82 12.491 -18.914 -8.491 1.00 63.33 C ATOM 1153 C HIS A 82 13.985 -19.318 -8.554 1.00 1.53 C ATOM 1154 O HIS A 82 14.817 -18.740 -7.855 1.00 22.21 O ATOM 1155 CB HIS A 82 12.163 -17.881 -9.595 1.00 54.21 C ATOM 1156 CG HIS A 82 10.793 -17.261 -9.438 1.00 55.30 C ATOM 1157 ND1 HIS A 82 10.546 -16.209 -8.572 1.00 31.51 N ATOM 1158 CD2 HIS A 82 9.586 -17.590 -9.967 1.00 51.23 C ATOM 1159 CE1 HIS A 82 9.265 -15.926 -8.579 1.00 33.13 C ATOM 1160 NE2 HIS A 82 8.660 -16.742 -9.413 1.00 51.44 N ATOM 0 H HIS A 82 12.271 -17.305 -7.156 1.00 0.45 H new ATOM 0 HA HIS A 82 11.916 -19.829 -8.635 1.00 63.33 H new ATOM 0 HB2 HIS A 82 12.916 -17.093 -9.582 1.00 54.21 H new ATOM 0 HB3 HIS A 82 12.226 -18.366 -10.569 1.00 54.21 H new ATOM 0 HD1 HIS A 82 11.252 -15.728 -8.014 1.00 31.51 H new ATOM 0 HD2 HIS A 82 9.392 -18.371 -10.687 1.00 51.23 H new ATOM 0 HE1 HIS A 82 8.787 -15.152 -7.997 1.00 33.13 H new ATOM 1169 N HIS A 83 14.319 -20.311 -9.398 1.00 41.42 N ATOM 1170 CA HIS A 83 15.726 -20.721 -9.638 1.00 50.24 C ATOM 1171 C HIS A 83 16.428 -19.681 -10.554 1.00 24.32 C ATOM 1172 O HIS A 83 15.857 -19.276 -11.574 1.00 30.31 O ATOM 1173 CB HIS A 83 15.776 -22.140 -10.269 1.00 55.14 C ATOM 1174 CG HIS A 83 17.157 -22.760 -10.338 1.00 3.10 C ATOM 1175 ND1 HIS A 83 17.662 -23.588 -9.355 1.00 11.22 N ATOM 1176 CD2 HIS A 83 18.135 -22.677 -11.281 1.00 33.24 C ATOM 1177 CE1 HIS A 83 18.874 -23.981 -9.686 1.00 50.10 C ATOM 1178 NE2 HIS A 83 19.182 -23.444 -10.844 1.00 5.05 N ATOM 0 H HIS A 83 13.635 -20.850 -9.930 1.00 41.42 H new ATOM 0 HA HIS A 83 16.255 -20.758 -8.686 1.00 50.24 H new ATOM 0 HB2 HIS A 83 15.126 -22.800 -9.695 1.00 55.14 H new ATOM 0 HB3 HIS A 83 15.366 -22.088 -11.278 1.00 55.14 H new ATOM 0 HD2 HIS A 83 18.093 -22.113 -12.201 1.00 33.24 H new ATOM 0 HE1 HIS A 83 19.507 -24.634 -9.104 1.00 50.10 H new ATOM 0 HE2 HIS A 83 20.063 -23.577 -11.340 1.00 5.05 H new ATOM 1187 N HIS A 84 17.662 -19.269 -10.165 1.00 14.35 N ATOM 1188 CA HIS A 84 18.457 -18.207 -10.852 1.00 52.00 C ATOM 1189 C HIS A 84 17.713 -16.837 -10.787 1.00 51.41 C ATOM 1190 O HIS A 84 17.781 -16.017 -11.713 1.00 15.13 O ATOM 1191 CB HIS A 84 18.806 -18.654 -12.315 1.00 41.44 C ATOM 1192 CG HIS A 84 19.843 -17.815 -13.030 1.00 13.41 C ATOM 1193 ND1 HIS A 84 19.656 -17.285 -14.296 1.00 3.21 N ATOM 1194 CD2 HIS A 84 21.091 -17.438 -12.661 1.00 52.52 C ATOM 1195 CE1 HIS A 84 20.739 -16.631 -14.663 1.00 21.10 C ATOM 1196 NE2 HIS A 84 21.619 -16.707 -13.690 1.00 24.14 N ATOM 0 H HIS A 84 18.142 -19.666 -9.357 1.00 14.35 H new ATOM 0 HA HIS A 84 19.405 -18.065 -10.333 1.00 52.00 H new ATOM 0 HB2 HIS A 84 19.158 -19.685 -12.286 1.00 41.44 H new ATOM 0 HB3 HIS A 84 17.890 -18.646 -12.905 1.00 41.44 H new ATOM 0 HD2 HIS A 84 21.579 -17.672 -11.726 1.00 52.52 H new ATOM 0 HE1 HIS A 84 20.880 -16.119 -15.604 1.00 21.10 H new ATOM 0 HE2 HIS A 84 22.549 -16.287 -13.700 1.00 24.14 H new ATOM 1205 N HIS A 85 17.025 -16.603 -9.648 1.00 0.05 N ATOM 1206 CA HIS A 85 16.199 -15.390 -9.421 1.00 73.55 C ATOM 1207 C HIS A 85 17.058 -14.113 -9.225 1.00 1.51 C ATOM 1208 O HIS A 85 18.042 -14.152 -8.483 1.00 61.15 O ATOM 1209 CB HIS A 85 15.267 -15.582 -8.188 1.00 23.24 C ATOM 1210 CG HIS A 85 15.977 -15.688 -6.854 1.00 41.10 C ATOM 1211 ND1 HIS A 85 16.106 -14.627 -5.985 1.00 4.25 N ATOM 1212 CD2 HIS A 85 16.598 -16.729 -6.249 1.00 34.25 C ATOM 1213 CE1 HIS A 85 16.764 -15.012 -4.914 1.00 4.10 C ATOM 1214 NE2 HIS A 85 17.074 -16.279 -5.051 1.00 63.13 N ATOM 0 H HIS A 85 17.025 -17.248 -8.858 1.00 0.05 H new ATOM 0 HA HIS A 85 15.598 -15.253 -10.320 1.00 73.55 H new ATOM 0 HB2 HIS A 85 14.570 -14.745 -8.145 1.00 23.24 H new ATOM 0 HB3 HIS A 85 14.673 -16.484 -8.338 1.00 23.24 H new ATOM 0 HD2 HIS A 85 16.698 -17.730 -6.642 1.00 34.25 H new ATOM 0 HE1 HIS A 85 17.008 -14.390 -4.065 1.00 4.10 H new ATOM 0 HE2 HIS A 85 17.589 -16.839 -4.371 1.00 63.13 H new ATOM 1223 N HIS A 86 16.674 -13.031 -9.955 1.00 4.43 N ATOM 1224 CA HIS A 86 17.137 -11.614 -9.770 1.00 22.32 C ATOM 1225 C HIS A 86 18.577 -11.461 -9.194 1.00 23.53 C ATOM 1226 O HIS A 86 18.762 -11.428 -7.970 1.00 21.14 O ATOM 1227 CB HIS A 86 16.109 -10.842 -8.896 1.00 63.13 C ATOM 1228 CG HIS A 86 14.693 -10.919 -9.411 1.00 11.03 C ATOM 1229 ND1 HIS A 86 13.621 -11.264 -8.622 1.00 50.02 N ATOM 1230 CD2 HIS A 86 14.179 -10.705 -10.650 1.00 23.23 C ATOM 1231 CE1 HIS A 86 12.526 -11.264 -9.343 1.00 54.41 C ATOM 1232 NE2 HIS A 86 12.834 -10.929 -10.573 1.00 62.34 N ATOM 0 H HIS A 86 16.006 -13.118 -10.721 1.00 4.43 H new ATOM 0 HA HIS A 86 17.193 -11.183 -10.770 1.00 22.32 H new ATOM 0 HB2 HIS A 86 16.139 -11.238 -7.881 1.00 63.13 H new ATOM 0 HB3 HIS A 86 16.408 -9.796 -8.838 1.00 63.13 H new ATOM 0 HD2 HIS A 86 14.731 -10.412 -11.531 1.00 23.23 H new ATOM 0 HE1 HIS A 86 11.535 -11.500 -8.984 1.00 54.41 H new ATOM 0 HE2 HIS A 86 12.175 -10.849 -11.347 1.00 62.34 H new ATOM 1241 N HIS A 87 19.584 -11.405 -10.085 1.00 45.41 N ATOM 1242 CA HIS A 87 21.012 -11.291 -9.695 1.00 43.03 C ATOM 1243 C HIS A 87 21.322 -9.940 -9.006 1.00 33.12 C ATOM 1244 O HIS A 87 20.833 -8.882 -9.417 1.00 40.00 O ATOM 1245 CB HIS A 87 21.931 -11.517 -10.931 1.00 61.33 C ATOM 1246 CG HIS A 87 21.699 -10.571 -12.094 1.00 74.34 C ATOM 1247 ND1 HIS A 87 20.815 -10.839 -13.118 1.00 23.52 N ATOM 1248 CD2 HIS A 87 22.250 -9.363 -12.396 1.00 34.22 C ATOM 1249 CE1 HIS A 87 20.831 -9.850 -13.987 1.00 11.41 C ATOM 1250 NE2 HIS A 87 21.694 -8.947 -13.575 1.00 14.42 N ATOM 0 H HIS A 87 19.437 -11.437 -11.094 1.00 45.41 H new ATOM 0 HA HIS A 87 21.217 -12.071 -8.962 1.00 43.03 H new ATOM 0 HB2 HIS A 87 22.969 -11.426 -10.612 1.00 61.33 H new ATOM 0 HB3 HIS A 87 21.794 -12.539 -11.283 1.00 61.33 H new ATOM 0 HD2 HIS A 87 22.988 -8.832 -11.813 1.00 34.22 H new ATOM 0 HE1 HIS A 87 20.236 -9.790 -14.886 1.00 11.41 H new ATOM 0 HE2 HIS A 87 21.914 -8.076 -14.057 1.00 14.42 H new TER 1259 HIS A 87