USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 532 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 23 GLN : amide:sc= -0.323 K(o=-0.32,f=-3.3!) USER MOD Set 1.2: A 25 ASN : amide:sc= 0 X(o=-0.32,f=-0.32) USER MOD Set 2.1: A 12 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 17 ASN : amide:sc= -0.703 X(o=-0.7,f=-0.7) USER MOD Set 3.1: A 3 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 4 ASN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 8 LYS NZ :NH3+ 166:sc= 1.26 (180deg=1.09) USER MOD Single : A 10 LYS NZ :NH3+ -116:sc= 1.13 (180deg=-0.19) USER MOD Single : A 13 ASN :FLIP amide:sc= 0.724 F(o=0,f=0.72) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00418 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -164:sc= -0.106 (180deg=-0.473) USER MOD Single : A 33 HIS :FLIP no HD1:sc= -0.629 F(o=-2.1,f=-0.63) USER MOD Single : A 34 LYS NZ :NH3+ 159:sc= 1.27 (180deg=0.17) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot -17:sc= 0.838 USER MOD Single : A 49 GLN :FLIP amide:sc= -0.0839 F(o=-2.6!,f=-0.084) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 1.04 K(o=1,f=-0.7) USER MOD Single : A 70 LYS NZ :NH3+ 171:sc= 1.07 (180deg=1.03) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 2.886 11.952 3.497 1.00 12.05 N ATOM 21 CA ALA A 2 1.475 11.768 3.781 1.00 54.41 C ATOM 22 C ALA A 2 1.332 10.664 4.816 1.00 23.22 C ATOM 23 O ALA A 2 2.010 9.650 4.718 1.00 30.11 O ATOM 24 CB ALA A 2 0.706 11.444 2.511 1.00 61.25 C ATOM 0 HA ALA A 2 1.052 12.691 4.179 1.00 54.41 H new ATOM 0 HB1 ALA A 2 -0.349 11.310 2.749 1.00 61.25 H new ATOM 0 HB2 ALA A 2 0.817 12.262 1.800 1.00 61.25 H new ATOM 0 HB3 ALA A 2 1.098 10.526 2.072 1.00 61.25 H new ATOM 30 N THR A 3 0.487 10.849 5.797 1.00 31.02 N ATOM 31 CA THR A 3 0.326 9.851 6.846 1.00 21.12 C ATOM 32 C THR A 3 -1.140 9.487 7.079 1.00 50.50 C ATOM 33 O THR A 3 -2.039 10.293 6.790 1.00 1.24 O ATOM 34 CB THR A 3 0.953 10.336 8.178 1.00 41.50 C ATOM 35 OG1 THR A 3 0.492 11.668 8.477 1.00 10.31 O ATOM 36 CG2 THR A 3 2.476 10.314 8.125 1.00 2.12 C ATOM 0 H THR A 3 -0.102 11.675 5.900 1.00 31.02 H new ATOM 0 HA THR A 3 0.848 8.958 6.503 1.00 21.12 H new ATOM 0 HB THR A 3 0.638 9.651 8.965 1.00 41.50 H new ATOM 0 HG1 THR A 3 0.889 11.970 9.320 1.00 10.31 H new ATOM 0 HG21 THR A 3 2.878 10.661 9.077 1.00 2.12 H new ATOM 0 HG22 THR A 3 2.819 9.297 7.935 1.00 2.12 H new ATOM 0 HG23 THR A 3 2.822 10.969 7.325 1.00 2.12 H new ATOM 44 N ASN A 4 -1.366 8.262 7.579 1.00 55.22 N ATOM 45 CA ASN A 4 -2.708 7.760 7.972 1.00 71.43 C ATOM 46 C ASN A 4 -3.674 7.810 6.786 1.00 73.44 C ATOM 47 O ASN A 4 -4.848 8.138 6.929 1.00 55.02 O ATOM 48 CB ASN A 4 -3.264 8.592 9.158 1.00 73.33 C ATOM 49 CG ASN A 4 -2.346 8.599 10.379 1.00 20.31 C ATOM 50 OD1 ASN A 4 -1.483 9.474 10.519 1.00 65.04 O ATOM 51 ND2 ASN A 4 -2.516 7.647 11.262 1.00 44.22 N ATOM 0 H ASN A 4 -0.622 7.580 7.726 1.00 55.22 H new ATOM 0 HA ASN A 4 -2.609 6.721 8.287 1.00 71.43 H new ATOM 0 HB2 ASN A 4 -3.425 9.618 8.828 1.00 73.33 H new ATOM 0 HB3 ASN A 4 -4.237 8.194 9.447 1.00 73.33 H new ATOM 0 HD21 ASN A 4 -1.928 7.613 12.094 1.00 44.22 H new ATOM 0 HD22 ASN A 4 -3.237 6.940 11.117 1.00 44.22 H new ATOM 58 N ILE A 5 -3.178 7.424 5.643 1.00 61.55 N ATOM 59 CA ILE A 5 -3.906 7.492 4.389 1.00 23.41 C ATOM 60 C ILE A 5 -4.949 6.401 4.275 1.00 3.11 C ATOM 61 O ILE A 5 -4.795 5.309 4.825 1.00 62.22 O ATOM 62 CB ILE A 5 -2.932 7.356 3.205 1.00 21.44 C ATOM 63 CG1 ILE A 5 -1.855 8.403 3.310 1.00 52.33 C ATOM 64 CG2 ILE A 5 -3.650 7.444 1.849 1.00 63.11 C ATOM 65 CD1 ILE A 5 -0.910 8.376 2.166 1.00 45.42 C ATOM 0 H ILE A 5 -2.236 7.044 5.547 1.00 61.55 H new ATOM 0 HA ILE A 5 -4.409 8.459 4.367 1.00 23.41 H new ATOM 0 HB ILE A 5 -2.479 6.366 3.256 1.00 21.44 H new ATOM 0 HG12 ILE A 5 -2.318 9.388 3.369 1.00 52.33 H new ATOM 0 HG13 ILE A 5 -1.300 8.255 4.237 1.00 52.33 H new ATOM 0 HG21 ILE A 5 -2.922 7.343 1.044 1.00 63.11 H new ATOM 0 HG22 ILE A 5 -4.386 6.644 1.775 1.00 63.11 H new ATOM 0 HG23 ILE A 5 -4.152 8.408 1.765 1.00 63.11 H new ATOM 0 HD11 ILE A 5 -0.157 9.153 2.298 1.00 45.42 H new ATOM 0 HD12 ILE A 5 -0.423 7.402 2.120 1.00 45.42 H new ATOM 0 HD13 ILE A 5 -1.456 8.553 1.239 1.00 45.42 H new ATOM 77 N VAL A 6 -5.993 6.712 3.551 1.00 1.03 N ATOM 78 CA VAL A 6 -7.036 5.794 3.249 1.00 70.44 C ATOM 79 C VAL A 6 -6.797 5.178 1.893 1.00 42.33 C ATOM 80 O VAL A 6 -6.367 5.858 0.957 1.00 1.21 O ATOM 81 CB VAL A 6 -8.412 6.504 3.184 1.00 20.22 C ATOM 82 CG1 VAL A 6 -9.500 5.556 2.685 1.00 5.33 C ATOM 83 CG2 VAL A 6 -8.786 7.093 4.523 1.00 2.43 C ATOM 0 H VAL A 6 -6.135 7.639 3.149 1.00 1.03 H new ATOM 0 HA VAL A 6 -7.040 5.041 4.037 1.00 70.44 H new ATOM 0 HB VAL A 6 -8.326 7.322 2.469 1.00 20.22 H new ATOM 0 HG11 VAL A 6 -10.454 6.083 2.650 1.00 5.33 H new ATOM 0 HG12 VAL A 6 -9.244 5.202 1.686 1.00 5.33 H new ATOM 0 HG13 VAL A 6 -9.580 4.705 3.362 1.00 5.33 H new ATOM 0 HG21 VAL A 6 -9.756 7.584 4.446 1.00 2.43 H new ATOM 0 HG22 VAL A 6 -8.840 6.299 5.268 1.00 2.43 H new ATOM 0 HG23 VAL A 6 -8.033 7.822 4.823 1.00 2.43 H new ATOM 93 N GLY A 7 -7.033 3.920 1.801 1.00 22.04 N ATOM 94 CA GLY A 7 -7.089 3.289 0.549 1.00 73.03 C ATOM 95 C GLY A 7 -7.446 1.866 0.650 1.00 15.32 C ATOM 96 O GLY A 7 -7.545 1.318 1.726 1.00 70.03 O ATOM 0 H GLY A 7 -7.192 3.304 2.598 1.00 22.04 H new ATOM 0 HA2 GLY A 7 -7.819 3.800 -0.079 1.00 73.03 H new ATOM 0 HA3 GLY A 7 -6.122 3.383 0.055 1.00 73.03 H new ATOM 100 N LYS A 8 -7.684 1.296 -0.456 1.00 60.53 N ATOM 101 CA LYS A 8 -7.994 -0.080 -0.580 1.00 42.14 C ATOM 102 C LYS A 8 -6.945 -0.738 -1.447 1.00 71.14 C ATOM 103 O LYS A 8 -6.430 -0.112 -2.381 1.00 63.04 O ATOM 104 CB LYS A 8 -9.382 -0.216 -1.203 1.00 22.21 C ATOM 105 CG LYS A 8 -9.818 -1.639 -1.508 1.00 1.44 C ATOM 106 CD LYS A 8 -11.234 -1.673 -2.057 1.00 55.34 C ATOM 107 CE LYS A 8 -12.241 -1.241 -1.004 1.00 22.34 C ATOM 108 NZ LYS A 8 -13.609 -1.150 -1.544 1.00 61.04 N ATOM 0 H LYS A 8 -7.670 1.790 -1.348 1.00 60.53 H new ATOM 0 HA LYS A 8 -7.999 -0.568 0.395 1.00 42.14 H new ATOM 0 HB2 LYS A 8 -10.111 0.234 -0.529 1.00 22.21 H new ATOM 0 HB3 LYS A 8 -9.406 0.360 -2.128 1.00 22.21 H new ATOM 0 HG2 LYS A 8 -9.134 -2.085 -2.230 1.00 1.44 H new ATOM 0 HG3 LYS A 8 -9.762 -2.242 -0.602 1.00 1.44 H new ATOM 0 HD2 LYS A 8 -11.307 -1.017 -2.924 1.00 55.34 H new ATOM 0 HD3 LYS A 8 -11.471 -2.681 -2.399 1.00 55.34 H new ATOM 0 HE2 LYS A 8 -12.226 -1.951 -0.177 1.00 22.34 H new ATOM 0 HE3 LYS A 8 -11.947 -0.273 -0.599 1.00 22.34 H new ATOM 0 HZ1 LYS A 8 -14.289 -1.088 -0.759 1.00 61.04 H new ATOM 0 HZ2 LYS A 8 -13.691 -0.302 -2.141 1.00 61.04 H new ATOM 0 HZ3 LYS A 8 -13.814 -1.996 -2.113 1.00 61.04 H new ATOM 122 N VAL A 9 -6.596 -1.969 -1.117 1.00 44.33 N ATOM 123 CA VAL A 9 -5.648 -2.736 -1.892 1.00 52.34 C ATOM 124 C VAL A 9 -6.178 -2.862 -3.312 1.00 43.51 C ATOM 125 O VAL A 9 -7.177 -3.557 -3.566 1.00 42.15 O ATOM 126 CB VAL A 9 -5.385 -4.145 -1.265 1.00 33.02 C ATOM 127 CG1 VAL A 9 -4.368 -4.936 -2.081 1.00 21.24 C ATOM 128 CG2 VAL A 9 -4.896 -4.004 0.168 1.00 70.32 C ATOM 0 H VAL A 9 -6.964 -2.462 -0.303 1.00 44.33 H new ATOM 0 HA VAL A 9 -4.689 -2.217 -1.896 1.00 52.34 H new ATOM 0 HB VAL A 9 -6.328 -4.691 -1.272 1.00 33.02 H new ATOM 0 HG11 VAL A 9 -4.208 -5.910 -1.618 1.00 21.24 H new ATOM 0 HG12 VAL A 9 -4.743 -5.074 -3.095 1.00 21.24 H new ATOM 0 HG13 VAL A 9 -3.425 -4.391 -2.114 1.00 21.24 H new ATOM 0 HG21 VAL A 9 -4.717 -4.993 0.590 1.00 70.32 H new ATOM 0 HG22 VAL A 9 -3.969 -3.431 0.181 1.00 70.32 H new ATOM 0 HG23 VAL A 9 -5.651 -3.487 0.761 1.00 70.32 H new ATOM 138 N LYS A 10 -5.534 -2.142 -4.209 1.00 43.00 N ATOM 139 CA LYS A 10 -5.926 -2.048 -5.593 1.00 71.43 C ATOM 140 C LYS A 10 -5.675 -3.385 -6.257 1.00 10.11 C ATOM 141 O LYS A 10 -6.508 -3.880 -7.026 1.00 74.23 O ATOM 142 CB LYS A 10 -5.093 -0.939 -6.213 1.00 2.53 C ATOM 143 CG LYS A 10 -5.359 -0.594 -7.645 1.00 12.13 C ATOM 144 CD LYS A 10 -4.410 0.510 -8.051 1.00 2.52 C ATOM 145 CE LYS A 10 -4.556 0.898 -9.490 1.00 20.32 C ATOM 146 NZ LYS A 10 -5.869 1.502 -9.801 1.00 41.24 N ATOM 0 H LYS A 10 -4.703 -1.594 -3.985 1.00 43.00 H new ATOM 0 HA LYS A 10 -6.984 -1.814 -5.715 1.00 71.43 H new ATOM 0 HB2 LYS A 10 -5.236 -0.037 -5.617 1.00 2.53 H new ATOM 0 HB3 LYS A 10 -4.043 -1.217 -6.123 1.00 2.53 H new ATOM 0 HG2 LYS A 10 -5.217 -1.469 -8.279 1.00 12.13 H new ATOM 0 HG3 LYS A 10 -6.393 -0.272 -7.772 1.00 12.13 H new ATOM 0 HD2 LYS A 10 -4.586 1.384 -7.424 1.00 2.52 H new ATOM 0 HD3 LYS A 10 -3.385 0.188 -7.868 1.00 2.52 H new ATOM 0 HE2 LYS A 10 -3.768 1.604 -9.751 1.00 20.32 H new ATOM 0 HE3 LYS A 10 -4.413 0.016 -10.114 1.00 20.32 H new ATOM 0 HZ1 LYS A 10 -6.383 0.891 -10.467 1.00 41.24 H new ATOM 0 HZ2 LYS A 10 -6.421 1.602 -8.925 1.00 41.24 H new ATOM 0 HZ3 LYS A 10 -5.727 2.439 -10.230 1.00 41.24 H new ATOM 160 N TRP A 11 -4.529 -3.951 -5.940 1.00 0.20 N ATOM 161 CA TRP A 11 -4.145 -5.281 -6.333 1.00 72.32 C ATOM 162 C TRP A 11 -2.879 -5.634 -5.623 1.00 23.54 C ATOM 163 O TRP A 11 -2.122 -4.744 -5.227 1.00 61.11 O ATOM 164 CB TRP A 11 -3.987 -5.473 -7.860 1.00 34.11 C ATOM 165 CG TRP A 11 -2.926 -4.646 -8.531 1.00 12.11 C ATOM 166 CD1 TRP A 11 -3.045 -3.387 -9.037 1.00 12.12 C ATOM 167 CD2 TRP A 11 -1.590 -5.058 -8.789 1.00 23.33 C ATOM 168 NE1 TRP A 11 -1.850 -2.990 -9.587 1.00 13.42 N ATOM 169 CE2 TRP A 11 -0.941 -4.007 -9.446 1.00 43.20 C ATOM 170 CE3 TRP A 11 -0.888 -6.222 -8.518 1.00 61.05 C ATOM 171 CZ2 TRP A 11 0.392 -4.093 -9.838 1.00 0.40 C ATOM 172 CZ3 TRP A 11 0.431 -6.311 -8.903 1.00 14.33 C ATOM 173 CH2 TRP A 11 1.057 -5.254 -9.558 1.00 43.00 C ATOM 0 H TRP A 11 -3.818 -3.477 -5.382 1.00 0.20 H new ATOM 0 HA TRP A 11 -4.957 -5.951 -6.049 1.00 72.32 H new ATOM 0 HB2 TRP A 11 -3.773 -6.524 -8.052 1.00 34.11 H new ATOM 0 HB3 TRP A 11 -4.944 -5.251 -8.333 1.00 34.11 H new ATOM 0 HD1 TRP A 11 -3.944 -2.790 -9.010 1.00 12.12 H new ATOM 0 HE1 TRP A 11 -1.669 -2.088 -10.027 1.00 13.42 H new ATOM 0 HE3 TRP A 11 -1.368 -7.047 -8.012 1.00 61.05 H new ATOM 0 HZ2 TRP A 11 0.882 -3.274 -10.344 1.00 0.40 H new ATOM 0 HZ3 TRP A 11 0.987 -7.213 -8.694 1.00 14.33 H new ATOM 0 HH2 TRP A 11 2.092 -5.354 -9.852 1.00 43.00 H new ATOM 184 N TYR A 12 -2.652 -6.892 -5.454 1.00 41.31 N ATOM 185 CA TYR A 12 -1.478 -7.380 -4.762 1.00 4.11 C ATOM 186 C TYR A 12 -1.233 -8.815 -5.137 1.00 13.13 C ATOM 187 O TYR A 12 -2.102 -9.668 -4.954 1.00 71.45 O ATOM 188 CB TYR A 12 -1.659 -7.250 -3.226 1.00 64.01 C ATOM 189 CG TYR A 12 -0.477 -7.732 -2.381 1.00 65.12 C ATOM 190 CD1 TYR A 12 0.597 -6.894 -2.104 1.00 64.34 C ATOM 191 CD2 TYR A 12 -0.449 -9.022 -1.852 1.00 64.42 C ATOM 192 CE1 TYR A 12 1.665 -7.326 -1.329 1.00 4.31 C ATOM 193 CE2 TYR A 12 0.611 -9.459 -1.077 1.00 51.41 C ATOM 194 CZ TYR A 12 1.664 -8.609 -0.817 1.00 72.54 C ATOM 195 OH TYR A 12 2.725 -9.048 -0.040 1.00 50.22 O ATOM 0 H TYR A 12 -3.273 -7.628 -5.790 1.00 41.31 H new ATOM 0 HA TYR A 12 -0.618 -6.779 -5.057 1.00 4.11 H new ATOM 0 HB2 TYR A 12 -1.851 -6.204 -2.987 1.00 64.01 H new ATOM 0 HB3 TYR A 12 -2.546 -7.812 -2.933 1.00 64.01 H new ATOM 0 HD1 TYR A 12 0.601 -5.889 -2.499 1.00 64.34 H new ATOM 0 HD2 TYR A 12 -1.271 -9.694 -2.051 1.00 64.42 H new ATOM 0 HE1 TYR A 12 2.493 -6.662 -1.127 1.00 4.31 H new ATOM 0 HE2 TYR A 12 0.613 -10.462 -0.677 1.00 51.41 H new ATOM 0 HH TYR A 12 2.565 -9.973 0.240 1.00 50.22 H new ATOM 205 N ASN A 13 -0.073 -9.084 -5.674 1.00 63.12 N ATOM 206 CA ASN A 13 0.298 -10.441 -6.008 1.00 13.31 C ATOM 207 C ASN A 13 1.395 -10.905 -5.104 1.00 74.01 C ATOM 208 O ASN A 13 2.551 -10.458 -5.221 1.00 75.41 O ATOM 209 CB ASN A 13 0.676 -10.618 -7.489 1.00 15.12 C ATOM 210 CG ASN A 13 -0.511 -10.462 -8.428 1.00 54.43 C ATOM 211 OD1 ASN A 13 -1.186 -11.549 -8.713 1.00 12.35 O flip ATOM 212 ND2 ASN A 13 -0.808 -9.370 -8.903 1.00 74.35 N flip ATOM 0 H ASN A 13 0.635 -8.383 -5.891 1.00 63.12 H new ATOM 0 HA ASN A 13 -0.582 -11.066 -5.853 1.00 13.31 H new ATOM 0 HB2 ASN A 13 1.440 -9.887 -7.753 1.00 15.12 H new ATOM 0 HB3 ASN A 13 1.117 -11.605 -7.630 1.00 15.12 H new ATOM 0 HD21 ASN A 13 -0.262 -8.543 -8.661 1.00 74.35 H new ATOM 0 HD22 ASN A 13 -1.601 -9.289 -9.540 1.00 74.35 H new ATOM 219 N SER A 14 1.040 -11.804 -4.204 1.00 45.10 N ATOM 220 CA SER A 14 1.933 -12.329 -3.187 1.00 30.51 C ATOM 221 C SER A 14 3.179 -12.993 -3.780 1.00 11.32 C ATOM 222 O SER A 14 4.206 -13.075 -3.125 1.00 4.33 O ATOM 223 CB SER A 14 1.161 -13.304 -2.299 1.00 42.33 C ATOM 224 OG SER A 14 0.524 -14.298 -3.093 1.00 34.12 O ATOM 0 H SER A 14 0.101 -12.199 -4.159 1.00 45.10 H new ATOM 0 HA SER A 14 2.295 -11.492 -2.590 1.00 30.51 H new ATOM 0 HB2 SER A 14 1.841 -13.776 -1.590 1.00 42.33 H new ATOM 0 HB3 SER A 14 0.416 -12.763 -1.715 1.00 42.33 H new ATOM 0 HG SER A 14 0.035 -14.917 -2.512 1.00 34.12 H new ATOM 230 N THR A 15 3.071 -13.437 -5.029 1.00 10.34 N ATOM 231 CA THR A 15 4.166 -14.078 -5.735 1.00 43.55 C ATOM 232 C THR A 15 5.398 -13.154 -5.796 1.00 11.13 C ATOM 233 O THR A 15 6.534 -13.607 -5.693 1.00 44.23 O ATOM 234 CB THR A 15 3.718 -14.434 -7.162 1.00 51.53 C ATOM 235 OG1 THR A 15 2.467 -15.136 -7.082 1.00 0.10 O ATOM 236 CG2 THR A 15 4.749 -15.327 -7.845 1.00 72.35 C ATOM 0 H THR A 15 2.215 -13.360 -5.579 1.00 10.34 H new ATOM 0 HA THR A 15 4.442 -14.984 -5.196 1.00 43.55 H new ATOM 0 HB THR A 15 3.613 -13.519 -7.744 1.00 51.53 H new ATOM 0 HG1 THR A 15 2.165 -15.370 -7.984 1.00 0.10 H new ATOM 0 HG21 THR A 15 4.412 -15.567 -8.853 1.00 72.35 H new ATOM 0 HG22 THR A 15 5.705 -14.806 -7.896 1.00 72.35 H new ATOM 0 HG23 THR A 15 4.868 -16.248 -7.274 1.00 72.35 H new ATOM 244 N LYS A 16 5.162 -11.854 -5.939 1.00 75.23 N ATOM 245 CA LYS A 16 6.269 -10.906 -5.996 1.00 71.45 C ATOM 246 C LYS A 16 6.235 -9.981 -4.791 1.00 51.42 C ATOM 247 O LYS A 16 7.181 -9.230 -4.557 1.00 62.42 O ATOM 248 CB LYS A 16 6.153 -10.038 -7.243 1.00 71.25 C ATOM 249 CG LYS A 16 6.110 -10.779 -8.557 1.00 13.30 C ATOM 250 CD LYS A 16 5.979 -9.787 -9.693 1.00 51.23 C ATOM 251 CE LYS A 16 5.881 -10.471 -11.034 1.00 53.14 C ATOM 252 NZ LYS A 16 5.762 -9.483 -12.123 1.00 42.41 N ATOM 0 H LYS A 16 4.234 -11.439 -6.016 1.00 75.23 H new ATOM 0 HA LYS A 16 7.197 -11.478 -6.011 1.00 71.45 H new ATOM 0 HB2 LYS A 16 5.250 -9.433 -7.159 1.00 71.25 H new ATOM 0 HB3 LYS A 16 6.998 -9.349 -7.263 1.00 71.25 H new ATOM 0 HG2 LYS A 16 7.016 -11.373 -8.681 1.00 13.30 H new ATOM 0 HG3 LYS A 16 5.270 -11.473 -8.568 1.00 13.30 H new ATOM 0 HD2 LYS A 16 5.094 -9.170 -9.535 1.00 51.23 H new ATOM 0 HD3 LYS A 16 6.839 -9.117 -9.690 1.00 51.23 H new ATOM 0 HE2 LYS A 16 6.763 -11.091 -11.195 1.00 53.14 H new ATOM 0 HE3 LYS A 16 5.017 -11.136 -11.045 1.00 53.14 H new ATOM 0 HZ1 LYS A 16 5.696 -9.978 -13.035 1.00 42.41 H new ATOM 0 HZ2 LYS A 16 4.907 -8.908 -11.978 1.00 42.41 H new ATOM 0 HZ3 LYS A 16 6.599 -8.865 -12.124 1.00 42.41 H new ATOM 266 N ASN A 17 5.143 -10.060 -4.027 1.00 70.33 N ATOM 267 CA ASN A 17 4.892 -9.188 -2.858 1.00 42.34 C ATOM 268 C ASN A 17 4.760 -7.723 -3.261 1.00 73.10 C ATOM 269 O ASN A 17 4.959 -6.822 -2.447 1.00 61.31 O ATOM 270 CB ASN A 17 5.940 -9.359 -1.742 1.00 23.21 C ATOM 271 CG ASN A 17 5.916 -10.737 -1.117 1.00 34.11 C ATOM 272 OD1 ASN A 17 5.149 -10.995 -0.184 1.00 71.51 O ATOM 273 ND2 ASN A 17 6.774 -11.608 -1.575 1.00 51.23 N ATOM 0 H ASN A 17 4.397 -10.734 -4.197 1.00 70.33 H new ATOM 0 HA ASN A 17 3.937 -9.514 -2.446 1.00 42.34 H new ATOM 0 HB2 ASN A 17 6.932 -9.168 -2.150 1.00 23.21 H new ATOM 0 HB3 ASN A 17 5.765 -8.612 -0.968 1.00 23.21 H new ATOM 0 HD21 ASN A 17 6.827 -12.538 -1.160 1.00 51.23 H new ATOM 0 HD22 ASN A 17 7.391 -11.358 -2.347 1.00 51.23 H new ATOM 280 N PHE A 18 4.374 -7.496 -4.504 1.00 11.01 N ATOM 281 CA PHE A 18 4.162 -6.152 -5.000 1.00 34.52 C ATOM 282 C PHE A 18 2.710 -5.963 -5.374 1.00 73.22 C ATOM 283 O PHE A 18 1.977 -6.947 -5.629 1.00 73.41 O ATOM 284 CB PHE A 18 5.041 -5.826 -6.222 1.00 31.31 C ATOM 285 CG PHE A 18 6.524 -5.888 -5.987 1.00 10.03 C ATOM 286 CD1 PHE A 18 7.123 -5.117 -5.007 1.00 11.21 C ATOM 287 CD2 PHE A 18 7.322 -6.705 -6.769 1.00 65.31 C ATOM 288 CE1 PHE A 18 8.488 -5.164 -4.808 1.00 11.44 C ATOM 289 CE2 PHE A 18 8.686 -6.759 -6.576 1.00 11.43 C ATOM 290 CZ PHE A 18 9.270 -5.987 -5.595 1.00 32.54 C ATOM 0 H PHE A 18 4.201 -8.231 -5.190 1.00 11.01 H new ATOM 0 HA PHE A 18 4.442 -5.471 -4.196 1.00 34.52 H new ATOM 0 HB2 PHE A 18 4.789 -6.519 -7.025 1.00 31.31 H new ATOM 0 HB3 PHE A 18 4.788 -4.826 -6.573 1.00 31.31 H new ATOM 0 HD1 PHE A 18 6.516 -4.471 -4.391 1.00 11.21 H new ATOM 0 HD2 PHE A 18 6.870 -7.309 -7.542 1.00 65.31 H new ATOM 0 HE1 PHE A 18 8.944 -4.559 -4.039 1.00 11.44 H new ATOM 0 HE2 PHE A 18 9.295 -7.404 -7.192 1.00 11.43 H new ATOM 0 HZ PHE A 18 10.338 -6.025 -5.442 1.00 32.54 H new ATOM 300 N GLY A 19 2.298 -4.728 -5.409 1.00 72.33 N ATOM 301 CA GLY A 19 0.969 -4.393 -5.779 1.00 74.03 C ATOM 302 C GLY A 19 0.756 -2.914 -5.674 1.00 5.34 C ATOM 303 O GLY A 19 1.719 -2.159 -5.506 1.00 13.13 O ATOM 0 H GLY A 19 2.885 -3.926 -5.179 1.00 72.33 H new ATOM 0 HA2 GLY A 19 0.774 -4.724 -6.799 1.00 74.03 H new ATOM 0 HA3 GLY A 19 0.262 -4.916 -5.134 1.00 74.03 H new ATOM 307 N PHE A 20 -0.470 -2.500 -5.743 1.00 32.34 N ATOM 308 CA PHE A 20 -0.834 -1.105 -5.643 1.00 65.12 C ATOM 309 C PHE A 20 -2.006 -0.920 -4.724 1.00 73.25 C ATOM 310 O PHE A 20 -2.681 -1.884 -4.346 1.00 31.02 O ATOM 311 CB PHE A 20 -1.145 -0.479 -7.004 1.00 71.32 C ATOM 312 CG PHE A 20 0.057 -0.099 -7.843 1.00 4.02 C ATOM 313 CD1 PHE A 20 0.773 -1.046 -8.543 1.00 30.43 C ATOM 314 CD2 PHE A 20 0.452 1.223 -7.933 1.00 10.21 C ATOM 315 CE1 PHE A 20 1.860 -0.688 -9.317 1.00 22.14 C ATOM 316 CE2 PHE A 20 1.538 1.591 -8.703 1.00 71.30 C ATOM 317 CZ PHE A 20 2.244 0.632 -9.396 1.00 22.42 C ATOM 0 H PHE A 20 -1.266 -3.125 -5.872 1.00 32.34 H new ATOM 0 HA PHE A 20 0.035 -0.591 -5.232 1.00 65.12 H new ATOM 0 HB2 PHE A 20 -1.756 -1.179 -7.574 1.00 71.32 H new ATOM 0 HB3 PHE A 20 -1.749 0.414 -6.843 1.00 71.32 H new ATOM 0 HD1 PHE A 20 0.480 -2.084 -8.486 1.00 30.43 H new ATOM 0 HD2 PHE A 20 -0.097 1.980 -7.393 1.00 10.21 H new ATOM 0 HE1 PHE A 20 2.409 -1.443 -9.860 1.00 22.14 H new ATOM 0 HE2 PHE A 20 1.833 2.628 -8.762 1.00 71.30 H new ATOM 0 HZ PHE A 20 3.095 0.914 -9.998 1.00 22.42 H new ATOM 327 N ILE A 21 -2.263 0.316 -4.389 1.00 61.21 N ATOM 328 CA ILE A 21 -3.329 0.688 -3.486 1.00 64.33 C ATOM 329 C ILE A 21 -3.986 1.963 -4.005 1.00 24.14 C ATOM 330 O ILE A 21 -3.294 2.853 -4.500 1.00 53.21 O ATOM 331 CB ILE A 21 -2.770 0.961 -2.045 1.00 64.33 C ATOM 332 CG1 ILE A 21 -2.020 -0.269 -1.504 1.00 62.24 C ATOM 333 CG2 ILE A 21 -3.893 1.356 -1.099 1.00 11.54 C ATOM 334 CD1 ILE A 21 -1.386 -0.064 -0.143 1.00 24.01 C ATOM 0 H ILE A 21 -1.729 1.111 -4.741 1.00 61.21 H new ATOM 0 HA ILE A 21 -4.049 -0.129 -3.435 1.00 64.33 H new ATOM 0 HB ILE A 21 -2.065 1.790 -2.110 1.00 64.33 H new ATOM 0 HG12 ILE A 21 -2.715 -1.107 -1.446 1.00 62.24 H new ATOM 0 HG13 ILE A 21 -1.243 -0.548 -2.216 1.00 62.24 H new ATOM 0 HG21 ILE A 21 -3.484 1.541 -0.106 1.00 11.54 H new ATOM 0 HG22 ILE A 21 -4.377 2.261 -1.466 1.00 11.54 H new ATOM 0 HG23 ILE A 21 -4.625 0.550 -1.046 1.00 11.54 H new ATOM 0 HD11 ILE A 21 -0.878 -0.979 0.163 1.00 24.01 H new ATOM 0 HD12 ILE A 21 -0.664 0.751 -0.197 1.00 24.01 H new ATOM 0 HD13 ILE A 21 -2.159 0.183 0.585 1.00 24.01 H new ATOM 346 N GLU A 22 -5.302 2.030 -3.940 1.00 10.31 N ATOM 347 CA GLU A 22 -6.019 3.228 -4.308 1.00 63.13 C ATOM 348 C GLU A 22 -7.178 3.353 -3.354 1.00 61.12 C ATOM 349 O GLU A 22 -7.756 2.346 -2.963 1.00 4.11 O ATOM 350 CB GLU A 22 -6.565 3.162 -5.762 1.00 64.32 C ATOM 351 CG GLU A 22 -7.759 2.229 -5.947 1.00 55.52 C ATOM 352 CD GLU A 22 -8.244 2.155 -7.365 1.00 43.13 C ATOM 353 OE1 GLU A 22 -9.034 3.026 -7.779 1.00 70.33 O ATOM 354 OE2 GLU A 22 -7.855 1.233 -8.092 1.00 0.33 O ATOM 0 H GLU A 22 -5.897 1.260 -3.633 1.00 10.31 H new ATOM 0 HA GLU A 22 -5.344 4.082 -4.257 1.00 63.13 H new ATOM 0 HB2 GLU A 22 -6.852 4.166 -6.075 1.00 64.32 H new ATOM 0 HB3 GLU A 22 -5.762 2.839 -6.424 1.00 64.32 H new ATOM 0 HG2 GLU A 22 -7.484 1.229 -5.612 1.00 55.52 H new ATOM 0 HG3 GLU A 22 -8.576 2.566 -5.309 1.00 55.52 H new ATOM 361 N GLN A 23 -7.507 4.524 -2.932 1.00 61.53 N ATOM 362 CA GLN A 23 -8.696 4.634 -2.134 1.00 11.24 C ATOM 363 C GLN A 23 -9.872 4.725 -3.036 1.00 71.43 C ATOM 364 O GLN A 23 -9.761 5.232 -4.166 1.00 51.12 O ATOM 365 CB GLN A 23 -8.669 5.790 -1.143 1.00 44.33 C ATOM 366 CG GLN A 23 -8.566 7.141 -1.749 1.00 34.42 C ATOM 367 CD GLN A 23 -8.487 8.210 -0.711 1.00 40.24 C ATOM 368 OE1 GLN A 23 -9.497 8.757 -0.294 1.00 34.13 O ATOM 369 NE2 GLN A 23 -7.305 8.471 -0.246 1.00 33.51 N ATOM 0 H GLN A 23 -7.000 5.391 -3.111 1.00 61.53 H new ATOM 0 HA GLN A 23 -8.761 3.738 -1.517 1.00 11.24 H new ATOM 0 HB2 GLN A 23 -9.574 5.749 -0.537 1.00 44.33 H new ATOM 0 HB3 GLN A 23 -7.826 5.648 -0.467 1.00 44.33 H new ATOM 0 HG2 GLN A 23 -7.683 7.187 -2.386 1.00 34.42 H new ATOM 0 HG3 GLN A 23 -9.430 7.319 -2.389 1.00 34.42 H new ATOM 0 HE21 GLN A 23 -6.490 7.989 -0.625 1.00 33.51 H new ATOM 0 HE22 GLN A 23 -7.190 9.158 0.499 1.00 33.51 H new ATOM 378 N ASP A 24 -10.984 4.259 -2.557 1.00 40.42 N ATOM 379 CA ASP A 24 -12.233 4.230 -3.311 1.00 71.43 C ATOM 380 C ASP A 24 -12.665 5.619 -3.746 1.00 22.13 C ATOM 381 O ASP A 24 -13.445 5.774 -4.686 1.00 2.03 O ATOM 382 CB ASP A 24 -13.346 3.610 -2.476 1.00 71.41 C ATOM 383 CG ASP A 24 -13.103 2.176 -2.102 1.00 72.43 C ATOM 384 OD1 ASP A 24 -13.482 1.274 -2.881 1.00 61.40 O ATOM 385 OD2 ASP A 24 -12.551 1.927 -1.019 1.00 62.01 O ATOM 0 H ASP A 24 -11.067 3.877 -1.615 1.00 40.42 H new ATOM 0 HA ASP A 24 -12.051 3.627 -4.201 1.00 71.43 H new ATOM 0 HB2 ASP A 24 -13.472 4.196 -1.566 1.00 71.41 H new ATOM 0 HB3 ASP A 24 -14.282 3.677 -3.030 1.00 71.41 H new ATOM 390 N ASN A 25 -12.136 6.628 -3.080 1.00 21.21 N ATOM 391 CA ASN A 25 -12.501 8.004 -3.369 1.00 20.13 C ATOM 392 C ASN A 25 -11.662 8.588 -4.493 1.00 13.44 C ATOM 393 O ASN A 25 -11.835 9.754 -4.855 1.00 13.55 O ATOM 394 CB ASN A 25 -12.392 8.890 -2.120 1.00 70.43 C ATOM 395 CG ASN A 25 -13.299 8.452 -0.992 1.00 4.12 C ATOM 396 OD1 ASN A 25 -14.462 8.853 -0.918 1.00 51.22 O ATOM 397 ND2 ASN A 25 -12.786 7.650 -0.099 1.00 11.10 N ATOM 0 H ASN A 25 -11.450 6.521 -2.333 1.00 21.21 H new ATOM 0 HA ASN A 25 -13.541 7.987 -3.693 1.00 20.13 H new ATOM 0 HB2 ASN A 25 -11.360 8.885 -1.769 1.00 70.43 H new ATOM 0 HB3 ASN A 25 -12.632 9.918 -2.391 1.00 70.43 H new ATOM 0 HD21 ASN A 25 -13.352 7.337 0.690 1.00 11.10 H new ATOM 0 HD22 ASN A 25 -11.820 7.337 -0.190 1.00 11.10 H new ATOM 404 N GLY A 26 -10.763 7.792 -5.054 1.00 44.23 N ATOM 405 CA GLY A 26 -9.957 8.285 -6.145 1.00 65.01 C ATOM 406 C GLY A 26 -8.537 8.541 -5.741 1.00 34.04 C ATOM 407 O GLY A 26 -7.971 9.585 -6.064 1.00 33.45 O ATOM 0 H GLY A 26 -10.581 6.828 -4.776 1.00 44.23 H new ATOM 0 HA2 GLY A 26 -9.974 7.562 -6.961 1.00 65.01 H new ATOM 0 HA3 GLY A 26 -10.394 9.207 -6.527 1.00 65.01 H new ATOM 411 N GLY A 27 -7.955 7.600 -5.029 1.00 14.33 N ATOM 412 CA GLY A 27 -6.573 7.747 -4.637 1.00 24.41 C ATOM 413 C GLY A 27 -5.671 7.360 -5.782 1.00 63.24 C ATOM 414 O GLY A 27 -6.078 6.584 -6.661 1.00 1.00 O ATOM 0 H GLY A 27 -8.408 6.741 -4.715 1.00 14.33 H new ATOM 0 HA2 GLY A 27 -6.378 8.778 -4.341 1.00 24.41 H new ATOM 0 HA3 GLY A 27 -6.363 7.121 -3.770 1.00 24.41 H new ATOM 418 N LYS A 28 -4.484 7.887 -5.802 1.00 23.22 N ATOM 419 CA LYS A 28 -3.572 7.645 -6.895 1.00 41.52 C ATOM 420 C LYS A 28 -2.804 6.354 -6.741 1.00 31.22 C ATOM 421 O LYS A 28 -2.837 5.716 -5.676 1.00 44.23 O ATOM 422 CB LYS A 28 -2.644 8.829 -7.112 1.00 35.04 C ATOM 423 CG LYS A 28 -3.398 10.081 -7.493 1.00 5.11 C ATOM 424 CD LYS A 28 -2.474 11.220 -7.819 1.00 2.22 C ATOM 425 CE LYS A 28 -3.261 12.452 -8.240 1.00 0.23 C ATOM 426 NZ LYS A 28 -4.133 12.181 -9.414 1.00 51.41 N ATOM 0 H LYS A 28 -4.116 8.494 -5.070 1.00 23.22 H new ATOM 0 HA LYS A 28 -4.182 7.530 -7.791 1.00 41.52 H new ATOM 0 HB2 LYS A 28 -2.073 9.013 -6.202 1.00 35.04 H new ATOM 0 HB3 LYS A 28 -1.925 8.587 -7.895 1.00 35.04 H new ATOM 0 HG2 LYS A 28 -4.034 9.873 -8.353 1.00 5.11 H new ATOM 0 HG3 LYS A 28 -4.055 10.371 -6.674 1.00 5.11 H new ATOM 0 HD2 LYS A 28 -1.859 11.455 -6.950 1.00 2.22 H new ATOM 0 HD3 LYS A 28 -1.795 10.926 -8.619 1.00 2.22 H new ATOM 0 HE2 LYS A 28 -3.873 12.794 -7.405 1.00 0.23 H new ATOM 0 HE3 LYS A 28 -2.569 13.259 -8.481 1.00 0.23 H new ATOM 0 HZ1 LYS A 28 -4.438 13.082 -9.835 1.00 51.41 H new ATOM 0 HZ2 LYS A 28 -3.604 11.631 -10.120 1.00 51.41 H new ATOM 0 HZ3 LYS A 28 -4.968 11.641 -9.109 1.00 51.41 H new ATOM 440 N ASP A 29 -2.116 5.976 -7.807 1.00 72.24 N ATOM 441 CA ASP A 29 -1.357 4.735 -7.863 1.00 42.31 C ATOM 442 C ASP A 29 -0.133 4.770 -7.004 1.00 42.12 C ATOM 443 O ASP A 29 0.940 5.213 -7.429 1.00 0.23 O ATOM 444 CB ASP A 29 -0.962 4.345 -9.297 1.00 61.13 C ATOM 445 CG ASP A 29 -2.112 3.909 -10.164 1.00 31.20 C ATOM 446 OD1 ASP A 29 -2.890 4.775 -10.624 1.00 65.23 O ATOM 447 OD2 ASP A 29 -2.223 2.691 -10.444 1.00 14.24 O ATOM 0 H ASP A 29 -2.068 6.526 -8.665 1.00 72.24 H new ATOM 0 HA ASP A 29 -2.034 3.975 -7.472 1.00 42.31 H new ATOM 0 HB2 ASP A 29 -0.470 5.195 -9.769 1.00 61.13 H new ATOM 0 HB3 ASP A 29 -0.231 3.538 -9.252 1.00 61.13 H new ATOM 452 N VAL A 30 -0.296 4.359 -5.800 1.00 73.34 N ATOM 453 CA VAL A 30 0.797 4.217 -4.911 1.00 35.21 C ATOM 454 C VAL A 30 1.102 2.738 -4.763 1.00 62.25 C ATOM 455 O VAL A 30 0.213 1.937 -4.436 1.00 63.25 O ATOM 456 CB VAL A 30 0.545 4.928 -3.534 1.00 64.13 C ATOM 457 CG1 VAL A 30 -0.723 4.481 -2.865 1.00 52.10 C ATOM 458 CG2 VAL A 30 1.689 4.705 -2.605 1.00 61.34 C ATOM 0 H VAL A 30 -1.201 4.109 -5.400 1.00 73.34 H new ATOM 0 HA VAL A 30 1.671 4.721 -5.325 1.00 35.21 H new ATOM 0 HB VAL A 30 0.446 5.990 -3.760 1.00 64.13 H new ATOM 0 HG11 VAL A 30 -0.840 5.008 -1.918 1.00 52.10 H new ATOM 0 HG12 VAL A 30 -1.573 4.702 -3.511 1.00 52.10 H new ATOM 0 HG13 VAL A 30 -0.678 3.408 -2.679 1.00 52.10 H new ATOM 0 HG21 VAL A 30 1.492 5.207 -1.658 1.00 61.34 H new ATOM 0 HG22 VAL A 30 1.813 3.636 -2.430 1.00 61.34 H new ATOM 0 HG23 VAL A 30 2.600 5.109 -3.046 1.00 61.34 H new ATOM 468 N PHE A 31 2.323 2.362 -5.055 1.00 62.40 N ATOM 469 CA PHE A 31 2.692 0.973 -5.013 1.00 74.01 C ATOM 470 C PHE A 31 3.046 0.540 -3.624 1.00 10.31 C ATOM 471 O PHE A 31 3.640 1.297 -2.854 1.00 71.34 O ATOM 472 CB PHE A 31 3.798 0.612 -6.038 1.00 74.31 C ATOM 473 CG PHE A 31 5.087 1.384 -5.936 1.00 62.34 C ATOM 474 CD1 PHE A 31 5.233 2.589 -6.596 1.00 54.22 C ATOM 475 CD2 PHE A 31 6.154 0.898 -5.199 1.00 2.42 C ATOM 476 CE1 PHE A 31 6.410 3.299 -6.518 1.00 21.20 C ATOM 477 CE2 PHE A 31 7.337 1.606 -5.121 1.00 53.12 C ATOM 478 CZ PHE A 31 7.463 2.810 -5.782 1.00 51.51 C ATOM 0 H PHE A 31 3.074 2.998 -5.323 1.00 62.40 H new ATOM 0 HA PHE A 31 1.810 0.408 -5.315 1.00 74.01 H new ATOM 0 HB2 PHE A 31 4.027 -0.449 -5.934 1.00 74.31 H new ATOM 0 HB3 PHE A 31 3.394 0.754 -7.040 1.00 74.31 H new ATOM 0 HD1 PHE A 31 4.413 2.979 -7.181 1.00 54.22 H new ATOM 0 HD2 PHE A 31 6.060 -0.044 -4.680 1.00 2.42 H new ATOM 0 HE1 PHE A 31 6.506 4.242 -7.036 1.00 21.20 H new ATOM 0 HE2 PHE A 31 8.163 1.217 -4.543 1.00 53.12 H new ATOM 0 HZ PHE A 31 8.386 3.367 -5.722 1.00 51.51 H new ATOM 488 N VAL A 32 2.661 -0.647 -3.293 1.00 22.14 N ATOM 489 CA VAL A 32 2.939 -1.176 -2.004 1.00 10.41 C ATOM 490 C VAL A 32 4.173 -2.068 -2.072 1.00 73.51 C ATOM 491 O VAL A 32 4.307 -2.917 -2.963 1.00 63.32 O ATOM 492 CB VAL A 32 1.709 -1.924 -1.383 1.00 55.21 C ATOM 493 CG1 VAL A 32 1.259 -3.100 -2.238 1.00 4.41 C ATOM 494 CG2 VAL A 32 2.001 -2.379 0.037 1.00 71.02 C ATOM 0 H VAL A 32 2.145 -1.276 -3.909 1.00 22.14 H new ATOM 0 HA VAL A 32 3.145 -0.342 -1.333 1.00 10.41 H new ATOM 0 HB VAL A 32 0.888 -1.207 -1.355 1.00 55.21 H new ATOM 0 HG11 VAL A 32 0.405 -3.586 -1.767 1.00 4.41 H new ATOM 0 HG12 VAL A 32 0.973 -2.742 -3.227 1.00 4.41 H new ATOM 0 HG13 VAL A 32 2.077 -3.815 -2.333 1.00 4.41 H new ATOM 0 HG21 VAL A 32 1.129 -2.894 0.440 1.00 71.02 H new ATOM 0 HG22 VAL A 32 2.854 -3.057 0.034 1.00 71.02 H new ATOM 0 HG23 VAL A 32 2.229 -1.512 0.657 1.00 71.02 H new ATOM 504 N HIS A 33 5.085 -1.833 -1.173 1.00 54.11 N ATOM 505 CA HIS A 33 6.304 -2.586 -1.106 1.00 64.20 C ATOM 506 C HIS A 33 6.259 -3.472 0.132 1.00 25.12 C ATOM 507 O HIS A 33 5.663 -3.090 1.127 1.00 63.41 O ATOM 508 CB HIS A 33 7.504 -1.622 -1.057 1.00 52.44 C ATOM 509 CG HIS A 33 8.803 -2.334 -1.076 1.00 33.35 C ATOM 510 ND1 HIS A 33 9.727 -2.516 -0.126 1.00 75.35 N flip ATOM 511 CD2 HIS A 33 9.206 -3.071 -2.139 1.00 63.23 C flip ATOM 512 CE1 HIS A 33 10.644 -3.365 -0.630 1.00 43.34 C flip ATOM 513 NE2 HIS A 33 10.304 -3.688 -1.838 1.00 12.32 N flip ATOM 0 H HIS A 33 5.003 -1.108 -0.460 1.00 54.11 H new ATOM 0 HA HIS A 33 6.415 -3.216 -1.989 1.00 64.20 H new ATOM 0 HB2 HIS A 33 7.454 -0.941 -1.906 1.00 52.44 H new ATOM 0 HB3 HIS A 33 7.440 -1.013 -0.156 1.00 52.44 H new ATOM 0 HD2 HIS A 33 8.693 -3.134 -3.087 1.00 63.23 H new ATOM 0 HE1 HIS A 33 11.522 -3.720 -0.110 1.00 43.34 H new ATOM 0 HE2 HIS A 33 10.816 -4.323 -2.450 1.00 12.32 H new ATOM 522 N LYS A 34 6.894 -4.646 0.074 1.00 15.31 N ATOM 523 CA LYS A 34 6.858 -5.581 1.200 1.00 34.21 C ATOM 524 C LYS A 34 7.385 -4.996 2.516 1.00 64.41 C ATOM 525 O LYS A 34 6.917 -5.371 3.573 1.00 51.33 O ATOM 526 CB LYS A 34 7.461 -6.960 0.866 1.00 52.01 C ATOM 527 CG LYS A 34 7.495 -7.896 2.064 1.00 40.25 C ATOM 528 CD LYS A 34 7.622 -9.327 1.660 1.00 43.23 C ATOM 529 CE LYS A 34 7.790 -10.245 2.870 1.00 0.14 C ATOM 530 NZ LYS A 34 6.769 -10.006 3.907 1.00 24.12 N ATOM 0 H LYS A 34 7.433 -4.968 -0.730 1.00 15.31 H new ATOM 0 HA LYS A 34 5.797 -5.757 1.378 1.00 34.21 H new ATOM 0 HB2 LYS A 34 6.880 -7.421 0.067 1.00 52.01 H new ATOM 0 HB3 LYS A 34 8.474 -6.826 0.487 1.00 52.01 H new ATOM 0 HG2 LYS A 34 8.332 -7.627 2.709 1.00 40.25 H new ATOM 0 HG3 LYS A 34 6.586 -7.765 2.650 1.00 40.25 H new ATOM 0 HD2 LYS A 34 6.738 -9.626 1.097 1.00 43.23 H new ATOM 0 HD3 LYS A 34 8.478 -9.442 0.995 1.00 43.23 H new ATOM 0 HE2 LYS A 34 7.736 -11.284 2.544 1.00 0.14 H new ATOM 0 HE3 LYS A 34 8.781 -10.097 3.299 1.00 0.14 H new ATOM 0 HZ1 LYS A 34 6.691 -10.845 4.517 1.00 24.12 H new ATOM 0 HZ2 LYS A 34 7.044 -9.184 4.482 1.00 24.12 H new ATOM 0 HZ3 LYS A 34 5.851 -9.821 3.454 1.00 24.12 H new ATOM 544 N SER A 35 8.326 -4.059 2.450 1.00 50.24 N ATOM 545 CA SER A 35 8.806 -3.365 3.671 1.00 31.13 C ATOM 546 C SER A 35 7.630 -2.734 4.460 1.00 74.13 C ATOM 547 O SER A 35 7.691 -2.602 5.687 1.00 43.14 O ATOM 548 CB SER A 35 9.847 -2.291 3.326 1.00 42.54 C ATOM 549 OG SER A 35 10.340 -1.646 4.487 1.00 65.25 O ATOM 0 H SER A 35 8.774 -3.756 1.585 1.00 50.24 H new ATOM 0 HA SER A 35 9.280 -4.116 4.303 1.00 31.13 H new ATOM 0 HB2 SER A 35 10.675 -2.748 2.784 1.00 42.54 H new ATOM 0 HB3 SER A 35 9.400 -1.552 2.661 1.00 42.54 H new ATOM 0 HG SER A 35 11.001 -0.970 4.230 1.00 65.25 H new ATOM 555 N ALA A 36 6.559 -2.383 3.753 1.00 5.12 N ATOM 556 CA ALA A 36 5.383 -1.823 4.376 1.00 21.22 C ATOM 557 C ALA A 36 4.624 -2.897 5.094 1.00 45.44 C ATOM 558 O ALA A 36 4.082 -2.675 6.176 1.00 54.21 O ATOM 559 CB ALA A 36 4.505 -1.221 3.355 1.00 34.24 C ATOM 0 H ALA A 36 6.490 -2.481 2.740 1.00 5.12 H new ATOM 0 HA ALA A 36 5.699 -1.057 5.085 1.00 21.22 H new ATOM 0 HB1 ALA A 36 3.621 -0.802 3.836 1.00 34.24 H new ATOM 0 HB2 ALA A 36 5.043 -0.430 2.833 1.00 34.24 H new ATOM 0 HB3 ALA A 36 4.201 -1.986 2.640 1.00 34.24 H new ATOM 565 N VAL A 37 4.568 -4.066 4.465 1.00 15.01 N ATOM 566 CA VAL A 37 3.982 -5.230 5.075 1.00 12.34 C ATOM 567 C VAL A 37 4.766 -5.561 6.291 1.00 34.43 C ATOM 568 O VAL A 37 4.214 -5.671 7.343 1.00 71.23 O ATOM 569 CB VAL A 37 3.967 -6.482 4.138 1.00 40.30 C ATOM 570 CG1 VAL A 37 3.504 -7.720 4.918 1.00 32.41 C ATOM 571 CG2 VAL A 37 3.037 -6.240 2.954 1.00 63.30 C ATOM 0 H VAL A 37 4.928 -4.222 3.524 1.00 15.01 H new ATOM 0 HA VAL A 37 2.944 -4.989 5.304 1.00 12.34 H new ATOM 0 HB VAL A 37 4.978 -6.653 3.767 1.00 40.30 H new ATOM 0 HG11 VAL A 37 3.497 -8.586 4.256 1.00 32.41 H new ATOM 0 HG12 VAL A 37 4.186 -7.903 5.748 1.00 32.41 H new ATOM 0 HG13 VAL A 37 2.499 -7.551 5.305 1.00 32.41 H new ATOM 0 HG21 VAL A 37 3.034 -7.118 2.308 1.00 63.30 H new ATOM 0 HG22 VAL A 37 2.026 -6.054 3.317 1.00 63.30 H new ATOM 0 HG23 VAL A 37 3.385 -5.375 2.389 1.00 63.30 H new ATOM 581 N ASP A 38 6.069 -5.642 6.128 1.00 74.45 N ATOM 582 CA ASP A 38 6.981 -6.030 7.188 1.00 24.21 C ATOM 583 C ASP A 38 6.994 -5.033 8.309 1.00 3.45 C ATOM 584 O ASP A 38 7.352 -5.382 9.422 1.00 60.34 O ATOM 585 CB ASP A 38 8.414 -6.265 6.687 1.00 15.24 C ATOM 586 CG ASP A 38 8.525 -7.352 5.645 1.00 62.54 C ATOM 587 OD1 ASP A 38 7.859 -8.407 5.782 1.00 12.31 O ATOM 588 OD2 ASP A 38 9.306 -7.176 4.686 1.00 3.32 O ATOM 0 H ASP A 38 6.534 -5.438 5.243 1.00 74.45 H new ATOM 0 HA ASP A 38 6.600 -6.979 7.565 1.00 24.21 H new ATOM 0 HB2 ASP A 38 8.800 -5.335 6.271 1.00 15.24 H new ATOM 0 HB3 ASP A 38 9.048 -6.522 7.536 1.00 15.24 H new ATOM 593 N ALA A 39 6.596 -3.784 8.023 1.00 65.31 N ATOM 594 CA ALA A 39 6.540 -2.752 9.055 1.00 14.52 C ATOM 595 C ALA A 39 5.613 -3.172 10.188 1.00 75.52 C ATOM 596 O ALA A 39 5.875 -2.902 11.362 1.00 14.24 O ATOM 597 CB ALA A 39 6.077 -1.440 8.466 1.00 63.35 C ATOM 0 H ALA A 39 6.312 -3.472 7.094 1.00 65.31 H new ATOM 0 HA ALA A 39 7.544 -2.621 9.459 1.00 14.52 H new ATOM 0 HB1 ALA A 39 6.041 -0.682 9.249 1.00 63.35 H new ATOM 0 HB2 ALA A 39 6.772 -1.125 7.688 1.00 63.35 H new ATOM 0 HB3 ALA A 39 5.083 -1.565 8.036 1.00 63.35 H new ATOM 603 N ALA A 40 4.553 -3.860 9.827 1.00 44.33 N ATOM 604 CA ALA A 40 3.578 -4.335 10.800 1.00 1.03 C ATOM 605 C ALA A 40 3.541 -5.858 10.804 1.00 23.32 C ATOM 606 O ALA A 40 3.011 -6.484 11.716 1.00 60.34 O ATOM 607 CB ALA A 40 2.209 -3.789 10.436 1.00 71.34 C ATOM 0 H ALA A 40 4.338 -4.108 8.861 1.00 44.33 H new ATOM 0 HA ALA A 40 3.860 -3.990 11.795 1.00 1.03 H new ATOM 0 HB1 ALA A 40 1.473 -4.140 11.160 1.00 71.34 H new ATOM 0 HB2 ALA A 40 2.237 -2.699 10.447 1.00 71.34 H new ATOM 0 HB3 ALA A 40 1.932 -4.135 9.440 1.00 71.34 H new ATOM 613 N GLY A 41 4.137 -6.425 9.784 1.00 22.14 N ATOM 614 CA GLY A 41 4.095 -7.839 9.520 1.00 50.22 C ATOM 615 C GLY A 41 2.703 -8.249 9.202 1.00 51.43 C ATOM 616 O GLY A 41 2.131 -9.140 9.848 1.00 13.52 O ATOM 0 H GLY A 41 4.679 -5.900 9.097 1.00 22.14 H new ATOM 0 HA2 GLY A 41 4.755 -8.083 8.688 1.00 50.22 H new ATOM 0 HA3 GLY A 41 4.458 -8.391 10.387 1.00 50.22 H new ATOM 620 N LEU A 42 2.155 -7.577 8.212 1.00 15.14 N ATOM 621 CA LEU A 42 0.807 -7.779 7.773 1.00 1.31 C ATOM 622 C LEU A 42 0.733 -9.210 7.232 1.00 20.32 C ATOM 623 O LEU A 42 1.517 -9.596 6.368 1.00 1.34 O ATOM 624 CB LEU A 42 0.504 -6.749 6.670 1.00 33.31 C ATOM 625 CG LEU A 42 -0.886 -6.120 6.653 1.00 52.01 C ATOM 626 CD1 LEU A 42 -1.962 -7.163 6.550 1.00 72.52 C ATOM 627 CD2 LEU A 42 -1.093 -5.237 7.876 1.00 71.34 C ATOM 0 H LEU A 42 2.653 -6.861 7.684 1.00 15.14 H new ATOM 0 HA LEU A 42 0.078 -7.649 8.573 1.00 1.31 H new ATOM 0 HB2 LEU A 42 1.236 -5.945 6.751 1.00 33.31 H new ATOM 0 HB3 LEU A 42 0.666 -7.231 5.706 1.00 33.31 H new ATOM 0 HG LEU A 42 -0.956 -5.493 5.764 1.00 52.01 H new ATOM 0 HD11 LEU A 42 -2.938 -6.679 6.541 1.00 72.52 H new ATOM 0 HD12 LEU A 42 -1.830 -7.732 5.630 1.00 72.52 H new ATOM 0 HD13 LEU A 42 -1.899 -7.836 7.405 1.00 72.52 H new ATOM 0 HD21 LEU A 42 -2.090 -4.799 7.844 1.00 71.34 H new ATOM 0 HD22 LEU A 42 -0.990 -5.837 8.780 1.00 71.34 H new ATOM 0 HD23 LEU A 42 -0.347 -4.442 7.881 1.00 71.34 H new ATOM 639 N HIS A 43 -0.189 -9.980 7.735 1.00 53.14 N ATOM 640 CA HIS A 43 -0.203 -11.404 7.441 1.00 60.23 C ATOM 641 C HIS A 43 -0.662 -11.740 6.036 1.00 14.13 C ATOM 642 O HIS A 43 -0.163 -12.702 5.437 1.00 41.01 O ATOM 643 CB HIS A 43 -0.976 -12.208 8.495 1.00 20.12 C ATOM 644 CG HIS A 43 -0.338 -12.196 9.860 1.00 75.01 C ATOM 645 ND1 HIS A 43 0.298 -13.287 10.404 1.00 3.43 N ATOM 646 CD2 HIS A 43 -0.268 -11.225 10.799 1.00 32.22 C ATOM 647 CE1 HIS A 43 0.728 -12.987 11.614 1.00 32.53 C ATOM 648 NE2 HIS A 43 0.397 -11.744 11.877 1.00 43.44 N ATOM 0 H HIS A 43 -0.940 -9.660 8.347 1.00 53.14 H new ATOM 0 HA HIS A 43 0.842 -11.710 7.491 1.00 60.23 H new ATOM 0 HB2 HIS A 43 -1.987 -11.808 8.574 1.00 20.12 H new ATOM 0 HB3 HIS A 43 -1.067 -13.240 8.156 1.00 20.12 H new ATOM 0 HD2 HIS A 43 -0.664 -10.224 10.714 1.00 32.22 H new ATOM 0 HE1 HIS A 43 1.262 -13.652 12.277 1.00 32.53 H new ATOM 0 HE2 HIS A 43 0.602 -11.246 12.743 1.00 43.44 H new ATOM 657 N SER A 44 -1.589 -10.977 5.500 1.00 20.23 N ATOM 658 CA SER A 44 -2.118 -11.235 4.164 1.00 64.24 C ATOM 659 C SER A 44 -2.808 -10.007 3.600 1.00 25.55 C ATOM 660 O SER A 44 -3.451 -9.247 4.334 1.00 35.11 O ATOM 661 CB SER A 44 -3.131 -12.391 4.183 1.00 70.13 C ATOM 662 OG SER A 44 -2.558 -13.591 4.691 1.00 1.22 O ATOM 0 H SER A 44 -1.999 -10.167 5.966 1.00 20.23 H new ATOM 0 HA SER A 44 -1.268 -11.500 3.535 1.00 64.24 H new ATOM 0 HB2 SER A 44 -3.989 -12.112 4.794 1.00 70.13 H new ATOM 0 HB3 SER A 44 -3.502 -12.565 3.173 1.00 70.13 H new ATOM 0 HG SER A 44 -1.581 -13.523 4.665 1.00 1.22 H new ATOM 668 N LEU A 45 -2.662 -9.819 2.317 1.00 13.13 N ATOM 669 CA LEU A 45 -3.339 -8.766 1.590 1.00 43.22 C ATOM 670 C LEU A 45 -3.799 -9.301 0.273 1.00 65.24 C ATOM 671 O LEU A 45 -3.128 -10.139 -0.341 1.00 61.14 O ATOM 672 CB LEU A 45 -2.427 -7.576 1.286 1.00 1.52 C ATOM 673 CG LEU A 45 -1.805 -6.833 2.461 1.00 22.41 C ATOM 674 CD1 LEU A 45 -0.806 -5.816 1.946 1.00 45.25 C ATOM 675 CD2 LEU A 45 -2.889 -6.124 3.258 1.00 22.30 C ATOM 0 H LEU A 45 -2.061 -10.400 1.733 1.00 13.13 H new ATOM 0 HA LEU A 45 -4.163 -8.431 2.220 1.00 43.22 H new ATOM 0 HB2 LEU A 45 -1.617 -7.930 0.649 1.00 1.52 H new ATOM 0 HB3 LEU A 45 -3.001 -6.856 0.702 1.00 1.52 H new ATOM 0 HG LEU A 45 -1.296 -7.548 3.108 1.00 22.41 H new ATOM 0 HD11 LEU A 45 -0.361 -5.285 2.787 1.00 45.25 H new ATOM 0 HD12 LEU A 45 -0.023 -6.327 1.385 1.00 45.25 H new ATOM 0 HD13 LEU A 45 -1.314 -5.104 1.295 1.00 45.25 H new ATOM 0 HD21 LEU A 45 -2.437 -5.595 4.097 1.00 22.30 H new ATOM 0 HD22 LEU A 45 -3.406 -5.411 2.615 1.00 22.30 H new ATOM 0 HD23 LEU A 45 -3.603 -6.857 3.634 1.00 22.30 H new ATOM 687 N GLU A 46 -4.918 -8.838 -0.145 1.00 74.11 N ATOM 688 CA GLU A 46 -5.447 -9.107 -1.435 1.00 71.34 C ATOM 689 C GLU A 46 -6.437 -8.013 -1.758 1.00 72.03 C ATOM 690 O GLU A 46 -6.749 -7.181 -0.880 1.00 25.25 O ATOM 691 CB GLU A 46 -6.072 -10.533 -1.582 1.00 23.13 C ATOM 692 CG GLU A 46 -7.320 -10.849 -0.749 1.00 24.31 C ATOM 693 CD GLU A 46 -7.100 -10.853 0.742 1.00 13.13 C ATOM 694 OE1 GLU A 46 -6.732 -11.913 1.301 1.00 13.25 O ATOM 695 OE2 GLU A 46 -7.326 -9.809 1.380 1.00 0.14 O ATOM 0 H GLU A 46 -5.516 -8.237 0.422 1.00 74.11 H new ATOM 0 HA GLU A 46 -4.629 -9.109 -2.155 1.00 71.34 H new ATOM 0 HB2 GLU A 46 -6.322 -10.684 -2.632 1.00 23.13 H new ATOM 0 HB3 GLU A 46 -5.304 -11.264 -1.328 1.00 23.13 H new ATOM 0 HG2 GLU A 46 -8.093 -10.118 -0.986 1.00 24.31 H new ATOM 0 HG3 GLU A 46 -7.702 -11.825 -1.048 1.00 24.31 H new ATOM 702 N GLU A 47 -6.904 -7.987 -2.981 1.00 75.11 N ATOM 703 CA GLU A 47 -7.807 -7.006 -3.461 1.00 3.12 C ATOM 704 C GLU A 47 -9.055 -6.966 -2.581 1.00 12.12 C ATOM 705 O GLU A 47 -9.617 -8.009 -2.220 1.00 11.03 O ATOM 706 CB GLU A 47 -8.116 -7.408 -4.882 1.00 74.01 C ATOM 707 CG GLU A 47 -8.826 -6.419 -5.753 1.00 12.53 C ATOM 708 CD GLU A 47 -10.301 -6.239 -5.473 1.00 73.12 C ATOM 709 OE1 GLU A 47 -11.114 -7.035 -5.999 1.00 20.20 O ATOM 710 OE2 GLU A 47 -10.669 -5.287 -4.768 1.00 73.04 O ATOM 0 H GLU A 47 -6.648 -8.680 -3.685 1.00 75.11 H new ATOM 0 HA GLU A 47 -7.392 -5.999 -3.432 1.00 3.12 H new ATOM 0 HB2 GLU A 47 -7.175 -7.666 -5.368 1.00 74.01 H new ATOM 0 HB3 GLU A 47 -8.718 -8.316 -4.849 1.00 74.01 H new ATOM 0 HG2 GLU A 47 -8.334 -5.452 -5.648 1.00 12.53 H new ATOM 0 HG3 GLU A 47 -8.707 -6.726 -6.792 1.00 12.53 H new ATOM 717 N GLY A 48 -9.451 -5.779 -2.219 1.00 20.13 N ATOM 718 CA GLY A 48 -10.622 -5.599 -1.397 1.00 1.10 C ATOM 719 C GLY A 48 -10.320 -5.011 -0.038 1.00 1.42 C ATOM 720 O GLY A 48 -11.129 -4.262 0.507 1.00 41.43 O ATOM 0 H GLY A 48 -8.979 -4.913 -2.480 1.00 20.13 H new ATOM 0 HA2 GLY A 48 -11.325 -4.949 -1.917 1.00 1.10 H new ATOM 0 HA3 GLY A 48 -11.116 -6.562 -1.266 1.00 1.10 H new ATOM 724 N GLN A 49 -9.163 -5.338 0.500 1.00 41.03 N ATOM 725 CA GLN A 49 -8.767 -4.870 1.818 1.00 53.12 C ATOM 726 C GLN A 49 -8.604 -3.376 1.907 1.00 34.21 C ATOM 727 O GLN A 49 -7.891 -2.771 1.113 1.00 24.25 O ATOM 728 CB GLN A 49 -7.472 -5.538 2.267 1.00 51.33 C ATOM 729 CG GLN A 49 -7.614 -6.942 2.814 1.00 53.40 C ATOM 730 CD GLN A 49 -8.149 -7.028 4.258 1.00 62.24 C ATOM 731 OE1 GLN A 49 -8.973 -6.099 4.679 1.00 33.12 O flip ATOM 732 NE2 GLN A 49 -7.801 -7.958 4.992 1.00 42.24 N flip ATOM 0 H GLN A 49 -8.472 -5.932 0.041 1.00 41.03 H new ATOM 0 HA GLN A 49 -9.587 -5.148 2.480 1.00 53.12 H new ATOM 0 HB2 GLN A 49 -6.786 -5.565 1.420 1.00 51.33 H new ATOM 0 HB3 GLN A 49 -7.009 -4.915 3.032 1.00 51.33 H new ATOM 0 HG2 GLN A 49 -8.282 -7.504 2.161 1.00 53.40 H new ATOM 0 HG3 GLN A 49 -6.641 -7.432 2.773 1.00 53.40 H new ATOM 0 HE21 GLN A 49 -7.159 -8.670 4.644 1.00 42.24 H new ATOM 0 HE22 GLN A 49 -8.156 -8.014 5.947 1.00 42.24 H new ATOM 741 N ASP A 50 -9.280 -2.791 2.869 1.00 52.41 N ATOM 742 CA ASP A 50 -9.047 -1.401 3.213 1.00 54.30 C ATOM 743 C ASP A 50 -7.739 -1.359 3.937 1.00 3.15 C ATOM 744 O ASP A 50 -7.490 -2.182 4.835 1.00 2.52 O ATOM 745 CB ASP A 50 -10.128 -0.814 4.145 1.00 71.14 C ATOM 746 CG ASP A 50 -11.495 -0.668 3.546 1.00 11.43 C ATOM 747 OD1 ASP A 50 -12.295 -1.617 3.632 1.00 72.41 O ATOM 748 OD2 ASP A 50 -11.822 0.431 3.030 1.00 64.31 O ATOM 0 H ASP A 50 -9.996 -3.253 3.429 1.00 52.41 H new ATOM 0 HA ASP A 50 -9.062 -0.810 2.298 1.00 54.30 H new ATOM 0 HB2 ASP A 50 -10.204 -1.449 5.027 1.00 71.14 H new ATOM 0 HB3 ASP A 50 -9.794 0.166 4.486 1.00 71.14 H new ATOM 753 N VAL A 51 -6.913 -0.460 3.581 1.00 54.54 N ATOM 754 CA VAL A 51 -5.647 -0.376 4.182 1.00 13.14 C ATOM 755 C VAL A 51 -5.297 1.060 4.460 1.00 1.24 C ATOM 756 O VAL A 51 -5.614 1.971 3.695 1.00 24.42 O ATOM 757 CB VAL A 51 -4.554 -1.097 3.353 1.00 21.00 C ATOM 758 CG1 VAL A 51 -4.337 -0.444 1.999 1.00 12.33 C ATOM 759 CG2 VAL A 51 -3.259 -1.219 4.136 1.00 12.34 C ATOM 0 H VAL A 51 -7.095 0.241 2.863 1.00 54.54 H new ATOM 0 HA VAL A 51 -5.691 -0.903 5.135 1.00 13.14 H new ATOM 0 HB VAL A 51 -4.914 -2.107 3.156 1.00 21.00 H new ATOM 0 HG11 VAL A 51 -3.562 -0.984 1.455 1.00 12.33 H new ATOM 0 HG12 VAL A 51 -5.266 -0.470 1.429 1.00 12.33 H new ATOM 0 HG13 VAL A 51 -4.027 0.591 2.140 1.00 12.33 H new ATOM 0 HG21 VAL A 51 -2.512 -1.729 3.527 1.00 12.34 H new ATOM 0 HG22 VAL A 51 -2.897 -0.225 4.397 1.00 12.34 H new ATOM 0 HG23 VAL A 51 -3.437 -1.791 5.047 1.00 12.34 H new ATOM 769 N ILE A 52 -4.693 1.238 5.554 1.00 22.32 N ATOM 770 CA ILE A 52 -4.323 2.522 6.049 1.00 2.51 C ATOM 771 C ILE A 52 -2.820 2.549 6.068 1.00 24.00 C ATOM 772 O ILE A 52 -2.204 1.671 6.668 1.00 33.32 O ATOM 773 CB ILE A 52 -4.877 2.669 7.481 1.00 33.25 C ATOM 774 CG1 ILE A 52 -6.386 2.364 7.459 1.00 23.04 C ATOM 775 CG2 ILE A 52 -4.613 4.077 8.022 1.00 40.21 C ATOM 776 CD1 ILE A 52 -7.013 2.205 8.812 1.00 71.11 C ATOM 0 H ILE A 52 -4.423 0.471 6.170 1.00 22.32 H new ATOM 0 HA ILE A 52 -4.716 3.334 5.437 1.00 2.51 H new ATOM 0 HB ILE A 52 -4.373 1.965 8.143 1.00 33.25 H new ATOM 0 HG12 ILE A 52 -6.897 3.167 6.929 1.00 23.04 H new ATOM 0 HG13 ILE A 52 -6.550 1.450 6.888 1.00 23.04 H new ATOM 0 HG21 ILE A 52 -5.012 4.159 9.033 1.00 40.21 H new ATOM 0 HG22 ILE A 52 -3.539 4.265 8.039 1.00 40.21 H new ATOM 0 HG23 ILE A 52 -5.100 4.811 7.379 1.00 40.21 H new ATOM 0 HD11 ILE A 52 -8.076 1.993 8.698 1.00 71.11 H new ATOM 0 HD12 ILE A 52 -6.533 1.382 9.341 1.00 71.11 H new ATOM 0 HD13 ILE A 52 -6.886 3.125 9.382 1.00 71.11 H new ATOM 788 N PHE A 53 -2.226 3.505 5.418 1.00 24.23 N ATOM 789 CA PHE A 53 -0.780 3.522 5.286 1.00 65.12 C ATOM 790 C PHE A 53 -0.240 4.916 5.349 1.00 52.41 C ATOM 791 O PHE A 53 -0.991 5.873 5.480 1.00 0.24 O ATOM 792 CB PHE A 53 -0.355 2.877 3.947 1.00 12.35 C ATOM 793 CG PHE A 53 -0.964 3.512 2.716 1.00 3.42 C ATOM 794 CD1 PHE A 53 -2.221 3.136 2.274 1.00 73.12 C ATOM 795 CD2 PHE A 53 -0.269 4.474 1.996 1.00 74.32 C ATOM 796 CE1 PHE A 53 -2.766 3.700 1.147 1.00 32.34 C ATOM 797 CE2 PHE A 53 -0.815 5.039 0.870 1.00 41.22 C ATOM 798 CZ PHE A 53 -2.063 4.650 0.445 1.00 3.24 C ATOM 0 H PHE A 53 -2.707 4.284 4.969 1.00 24.23 H new ATOM 0 HA PHE A 53 -0.371 2.951 6.119 1.00 65.12 H new ATOM 0 HB2 PHE A 53 0.731 2.926 3.865 1.00 12.35 H new ATOM 0 HB3 PHE A 53 -0.626 1.821 3.966 1.00 12.35 H new ATOM 0 HD1 PHE A 53 -2.779 2.391 2.822 1.00 73.12 H new ATOM 0 HD2 PHE A 53 0.713 4.782 2.325 1.00 74.32 H new ATOM 0 HE1 PHE A 53 -3.747 3.397 0.812 1.00 32.34 H new ATOM 0 HE2 PHE A 53 -0.265 5.788 0.319 1.00 41.22 H new ATOM 0 HZ PHE A 53 -2.492 5.092 -0.442 1.00 3.24 H new ATOM 808 N ASP A 54 1.051 5.022 5.251 1.00 11.32 N ATOM 809 CA ASP A 54 1.701 6.285 5.158 1.00 64.13 C ATOM 810 C ASP A 54 2.379 6.292 3.828 1.00 64.14 C ATOM 811 O ASP A 54 2.623 5.226 3.250 1.00 20.43 O ATOM 812 CB ASP A 54 2.728 6.524 6.281 1.00 44.13 C ATOM 813 CG ASP A 54 2.152 6.494 7.688 1.00 61.15 C ATOM 814 OD1 ASP A 54 0.975 6.861 7.887 1.00 44.31 O ATOM 815 OD2 ASP A 54 2.884 6.078 8.629 1.00 35.30 O ATOM 0 H ASP A 54 1.685 4.223 5.234 1.00 11.32 H new ATOM 0 HA ASP A 54 0.970 7.086 5.264 1.00 64.13 H new ATOM 0 HB2 ASP A 54 3.509 5.767 6.207 1.00 44.13 H new ATOM 0 HB3 ASP A 54 3.204 7.491 6.119 1.00 44.13 H new ATOM 820 N LEU A 55 2.673 7.426 3.332 1.00 53.12 N ATOM 821 CA LEU A 55 3.239 7.528 2.033 1.00 54.01 C ATOM 822 C LEU A 55 4.427 8.441 1.993 1.00 3.44 C ATOM 823 O LEU A 55 4.370 9.602 2.405 1.00 0.14 O ATOM 824 CB LEU A 55 2.155 7.941 1.038 1.00 50.23 C ATOM 825 CG LEU A 55 2.546 8.291 -0.398 1.00 21.13 C ATOM 826 CD1 LEU A 55 3.415 7.233 -0.976 1.00 55.13 C ATOM 827 CD2 LEU A 55 1.283 8.425 -1.249 1.00 74.34 C ATOM 0 H LEU A 55 2.532 8.317 3.808 1.00 53.12 H new ATOM 0 HA LEU A 55 3.621 6.548 1.746 1.00 54.01 H new ATOM 0 HB2 LEU A 55 1.429 7.129 0.990 1.00 50.23 H new ATOM 0 HB3 LEU A 55 1.640 8.806 1.456 1.00 50.23 H new ATOM 0 HG LEU A 55 3.095 9.233 -0.391 1.00 21.13 H new ATOM 0 HD11 LEU A 55 3.683 7.500 -1.998 1.00 55.13 H new ATOM 0 HD12 LEU A 55 4.321 7.138 -0.377 1.00 55.13 H new ATOM 0 HD13 LEU A 55 2.880 6.283 -0.977 1.00 55.13 H new ATOM 0 HD21 LEU A 55 1.559 8.675 -2.273 1.00 74.34 H new ATOM 0 HD22 LEU A 55 0.736 7.482 -1.240 1.00 74.34 H new ATOM 0 HD23 LEU A 55 0.651 9.214 -0.841 1.00 74.34 H new ATOM 839 N GLU A 56 5.483 7.893 1.506 1.00 42.30 N ATOM 840 CA GLU A 56 6.718 8.575 1.273 1.00 32.42 C ATOM 841 C GLU A 56 7.058 8.468 -0.169 1.00 34.30 C ATOM 842 O GLU A 56 6.606 7.541 -0.864 1.00 73.55 O ATOM 843 CB GLU A 56 7.852 8.029 2.127 1.00 3.20 C ATOM 844 CG GLU A 56 7.749 8.396 3.581 1.00 60.53 C ATOM 845 CD GLU A 56 7.912 9.887 3.816 1.00 34.42 C ATOM 846 OE1 GLU A 56 6.921 10.642 3.716 1.00 75.33 O ATOM 847 OE2 GLU A 56 9.037 10.325 4.099 1.00 42.01 O ATOM 0 H GLU A 56 5.517 6.908 1.244 1.00 42.30 H new ATOM 0 HA GLU A 56 6.591 9.620 1.556 1.00 32.42 H new ATOM 0 HB2 GLU A 56 7.872 6.943 2.037 1.00 3.20 H new ATOM 0 HB3 GLU A 56 8.800 8.399 1.735 1.00 3.20 H new ATOM 0 HG2 GLU A 56 6.781 8.074 3.966 1.00 60.53 H new ATOM 0 HG3 GLU A 56 8.511 7.857 4.144 1.00 60.53 H new ATOM 854 N GLU A 57 7.843 9.360 -0.616 1.00 1.12 N ATOM 855 CA GLU A 57 8.145 9.423 -2.002 1.00 51.21 C ATOM 856 C GLU A 57 9.471 8.808 -2.339 1.00 21.20 C ATOM 857 O GLU A 57 10.382 8.707 -1.503 1.00 2.32 O ATOM 858 CB GLU A 57 8.068 10.840 -2.576 1.00 13.02 C ATOM 859 CG GLU A 57 6.698 11.513 -2.540 1.00 71.23 C ATOM 860 CD GLU A 57 6.238 11.913 -1.147 1.00 73.32 C ATOM 861 OE1 GLU A 57 6.923 12.736 -0.493 1.00 15.45 O ATOM 862 OE2 GLU A 57 5.200 11.412 -0.673 1.00 31.23 O ATOM 0 H GLU A 57 8.299 10.070 -0.043 1.00 1.12 H new ATOM 0 HA GLU A 57 7.363 8.830 -2.476 1.00 51.21 H new ATOM 0 HB2 GLU A 57 8.772 11.468 -2.030 1.00 13.02 H new ATOM 0 HB3 GLU A 57 8.406 10.808 -3.612 1.00 13.02 H new ATOM 0 HG2 GLU A 57 6.725 12.401 -3.171 1.00 71.23 H new ATOM 0 HG3 GLU A 57 5.962 10.837 -2.974 1.00 71.23 H new ATOM 869 N LYS A 58 9.553 8.395 -3.561 1.00 2.04 N ATOM 870 CA LYS A 58 10.732 7.822 -4.157 1.00 75.02 C ATOM 871 C LYS A 58 11.111 8.725 -5.293 1.00 41.21 C ATOM 872 O LYS A 58 10.670 8.517 -6.428 1.00 75.41 O ATOM 873 CB LYS A 58 10.442 6.396 -4.680 1.00 35.30 C ATOM 874 CG LYS A 58 11.606 5.694 -5.370 1.00 33.21 C ATOM 875 CD LYS A 58 12.794 5.526 -4.448 1.00 64.00 C ATOM 876 CE LYS A 58 13.917 4.785 -5.144 1.00 25.21 C ATOM 877 NZ LYS A 58 15.109 4.633 -4.285 1.00 33.05 N ATOM 0 H LYS A 58 8.766 8.447 -4.208 1.00 2.04 H new ATOM 0 HA LYS A 58 11.538 7.739 -3.428 1.00 75.02 H new ATOM 0 HB2 LYS A 58 10.117 5.781 -3.841 1.00 35.30 H new ATOM 0 HB3 LYS A 58 9.608 6.448 -5.379 1.00 35.30 H new ATOM 0 HG2 LYS A 58 11.281 4.716 -5.724 1.00 33.21 H new ATOM 0 HG3 LYS A 58 11.906 6.267 -6.247 1.00 33.21 H new ATOM 0 HD2 LYS A 58 13.146 6.504 -4.120 1.00 64.00 H new ATOM 0 HD3 LYS A 58 12.492 4.980 -3.554 1.00 64.00 H new ATOM 0 HE2 LYS A 58 13.564 3.800 -5.449 1.00 25.21 H new ATOM 0 HE3 LYS A 58 14.193 5.320 -6.053 1.00 25.21 H new ATOM 0 HZ1 LYS A 58 15.849 4.120 -4.806 1.00 33.05 H new ATOM 0 HZ2 LYS A 58 15.464 5.572 -4.014 1.00 33.05 H new ATOM 0 HZ3 LYS A 58 14.855 4.099 -3.429 1.00 33.05 H new ATOM 891 N GLN A 59 11.862 9.773 -4.966 1.00 5.41 N ATOM 892 CA GLN A 59 12.203 10.855 -5.902 1.00 33.45 C ATOM 893 C GLN A 59 10.927 11.622 -6.286 1.00 14.44 C ATOM 894 O GLN A 59 10.672 12.707 -5.772 1.00 53.23 O ATOM 895 CB GLN A 59 12.961 10.347 -7.142 1.00 55.31 C ATOM 896 CG GLN A 59 14.284 9.670 -6.813 1.00 75.13 C ATOM 897 CD GLN A 59 15.021 9.152 -8.034 1.00 12.10 C ATOM 898 OE1 GLN A 59 14.885 9.820 -9.152 1.00 13.20 O flip ATOM 899 NE2 GLN A 59 15.740 8.154 -7.951 1.00 42.43 N flip ATOM 0 H GLN A 59 12.258 9.902 -4.035 1.00 5.41 H new ATOM 0 HA GLN A 59 12.888 11.537 -5.398 1.00 33.45 H new ATOM 0 HB2 GLN A 59 12.327 9.644 -7.682 1.00 55.31 H new ATOM 0 HB3 GLN A 59 13.149 11.186 -7.812 1.00 55.31 H new ATOM 0 HG2 GLN A 59 14.924 10.378 -6.286 1.00 75.13 H new ATOM 0 HG3 GLN A 59 14.098 8.840 -6.132 1.00 75.13 H new ATOM 0 HE21 GLN A 59 15.823 7.657 -7.064 1.00 42.43 H new ATOM 0 HE22 GLN A 59 16.252 7.825 -8.769 1.00 42.43 H new ATOM 908 N GLY A 60 10.125 11.031 -7.147 1.00 33.13 N ATOM 909 CA GLY A 60 8.854 11.596 -7.508 1.00 70.24 C ATOM 910 C GLY A 60 7.747 10.545 -7.471 1.00 60.14 C ATOM 911 O GLY A 60 6.570 10.868 -7.664 1.00 60.24 O ATOM 0 H GLY A 60 10.340 10.149 -7.612 1.00 33.13 H new ATOM 0 HA2 GLY A 60 8.609 12.409 -6.825 1.00 70.24 H new ATOM 0 HA3 GLY A 60 8.916 12.026 -8.507 1.00 70.24 H new ATOM 915 N LYS A 61 8.125 9.291 -7.218 1.00 60.14 N ATOM 916 CA LYS A 61 7.185 8.174 -7.178 1.00 3.43 C ATOM 917 C LYS A 61 6.618 7.993 -5.784 1.00 41.45 C ATOM 918 O LYS A 61 7.154 8.536 -4.827 1.00 40.41 O ATOM 919 CB LYS A 61 7.855 6.906 -7.645 1.00 5.44 C ATOM 920 CG LYS A 61 8.392 7.026 -9.043 1.00 3.34 C ATOM 921 CD LYS A 61 9.029 5.755 -9.515 1.00 3.34 C ATOM 922 CE LYS A 61 8.033 4.608 -9.614 1.00 23.31 C ATOM 923 NZ LYS A 61 8.664 3.377 -10.144 1.00 3.01 N ATOM 0 H LYS A 61 9.092 9.023 -7.035 1.00 60.14 H new ATOM 0 HA LYS A 61 6.359 8.400 -7.852 1.00 3.43 H new ATOM 0 HB2 LYS A 61 8.670 6.657 -6.965 1.00 5.44 H new ATOM 0 HB3 LYS A 61 7.141 6.083 -7.602 1.00 5.44 H new ATOM 0 HG2 LYS A 61 7.582 7.298 -9.720 1.00 3.34 H new ATOM 0 HG3 LYS A 61 9.123 7.833 -9.081 1.00 3.34 H new ATOM 0 HD2 LYS A 61 9.486 5.921 -10.491 1.00 3.34 H new ATOM 0 HD3 LYS A 61 9.831 5.478 -8.831 1.00 3.34 H new ATOM 0 HE2 LYS A 61 7.612 4.406 -8.629 1.00 23.31 H new ATOM 0 HE3 LYS A 61 7.205 4.900 -10.261 1.00 23.31 H new ATOM 0 HZ1 LYS A 61 7.955 2.618 -10.197 1.00 3.01 H new ATOM 0 HZ2 LYS A 61 9.044 3.563 -11.094 1.00 3.01 H new ATOM 0 HZ3 LYS A 61 9.438 3.084 -9.513 1.00 3.01 H new ATOM 937 N ALA A 62 5.560 7.226 -5.665 1.00 72.50 N ATOM 938 CA ALA A 62 4.864 7.073 -4.402 1.00 34.21 C ATOM 939 C ALA A 62 4.789 5.602 -3.968 1.00 24.21 C ATOM 940 O ALA A 62 4.263 4.765 -4.700 1.00 20.24 O ATOM 941 CB ALA A 62 3.459 7.649 -4.555 1.00 31.44 C ATOM 0 H ALA A 62 5.156 6.692 -6.434 1.00 72.50 H new ATOM 0 HA ALA A 62 5.415 7.607 -3.628 1.00 34.21 H new ATOM 0 HB1 ALA A 62 2.918 7.544 -3.615 1.00 31.44 H new ATOM 0 HB2 ALA A 62 3.525 8.704 -4.819 1.00 31.44 H new ATOM 0 HB3 ALA A 62 2.929 7.111 -5.341 1.00 31.44 H new ATOM 947 N TYR A 63 5.299 5.298 -2.772 1.00 73.42 N ATOM 948 CA TYR A 63 5.223 3.942 -2.219 1.00 24.43 C ATOM 949 C TYR A 63 4.586 3.933 -0.836 1.00 64.50 C ATOM 950 O TYR A 63 4.921 4.747 0.032 1.00 15.22 O ATOM 951 CB TYR A 63 6.586 3.232 -2.197 1.00 13.13 C ATOM 952 CG TYR A 63 7.692 3.961 -1.462 1.00 4.13 C ATOM 953 CD1 TYR A 63 8.450 4.919 -2.096 1.00 60.31 C ATOM 954 CD2 TYR A 63 7.973 3.686 -0.131 1.00 45.14 C ATOM 955 CE1 TYR A 63 9.453 5.589 -1.432 1.00 73.33 C ATOM 956 CE2 TYR A 63 8.976 4.357 0.540 1.00 3.32 C ATOM 957 CZ TYR A 63 9.711 5.307 -0.123 1.00 62.44 C ATOM 958 OH TYR A 63 10.711 5.990 0.528 1.00 51.15 O ATOM 0 H TYR A 63 5.769 5.972 -2.167 1.00 73.42 H new ATOM 0 HA TYR A 63 4.580 3.377 -2.894 1.00 24.43 H new ATOM 0 HB2 TYR A 63 6.457 2.250 -1.741 1.00 13.13 H new ATOM 0 HB3 TYR A 63 6.906 3.066 -3.226 1.00 13.13 H new ATOM 0 HD1 TYR A 63 8.255 5.149 -3.133 1.00 60.31 H new ATOM 0 HD2 TYR A 63 7.397 2.934 0.389 1.00 45.14 H new ATOM 0 HE1 TYR A 63 10.035 6.338 -1.948 1.00 73.33 H new ATOM 0 HE2 TYR A 63 9.180 4.136 1.577 1.00 3.32 H new ATOM 0 HH TYR A 63 10.771 5.677 1.455 1.00 51.15 H new ATOM 968 N ALA A 64 3.666 3.029 -0.659 1.00 14.11 N ATOM 969 CA ALA A 64 2.928 2.873 0.585 1.00 5.34 C ATOM 970 C ALA A 64 3.764 2.146 1.605 1.00 41.04 C ATOM 971 O ALA A 64 4.413 1.139 1.291 1.00 23.44 O ATOM 972 CB ALA A 64 1.633 2.120 0.323 1.00 23.34 C ATOM 0 H ALA A 64 3.394 2.362 -1.381 1.00 14.11 H new ATOM 0 HA ALA A 64 2.689 3.860 0.982 1.00 5.34 H new ATOM 0 HB1 ALA A 64 1.083 2.005 1.257 1.00 23.34 H new ATOM 0 HB2 ALA A 64 1.025 2.678 -0.389 1.00 23.34 H new ATOM 0 HB3 ALA A 64 1.861 1.136 -0.087 1.00 23.34 H new ATOM 978 N VAL A 65 3.751 2.664 2.809 1.00 61.11 N ATOM 979 CA VAL A 65 4.492 2.116 3.926 1.00 14.41 C ATOM 980 C VAL A 65 3.617 2.146 5.153 1.00 41.20 C ATOM 981 O VAL A 65 2.593 2.809 5.141 1.00 1.53 O ATOM 982 CB VAL A 65 5.828 2.882 4.218 1.00 11.21 C ATOM 983 CG1 VAL A 65 6.804 2.749 3.069 1.00 13.51 C ATOM 984 CG2 VAL A 65 5.576 4.353 4.531 1.00 2.35 C ATOM 0 H VAL A 65 3.214 3.497 3.048 1.00 61.11 H new ATOM 0 HA VAL A 65 4.768 1.095 3.662 1.00 14.41 H new ATOM 0 HB VAL A 65 6.272 2.420 5.100 1.00 11.21 H new ATOM 0 HG11 VAL A 65 7.719 3.292 3.304 1.00 13.51 H new ATOM 0 HG12 VAL A 65 7.037 1.696 2.910 1.00 13.51 H new ATOM 0 HG13 VAL A 65 6.359 3.163 2.164 1.00 13.51 H new ATOM 0 HG21 VAL A 65 6.525 4.851 4.728 1.00 2.35 H new ATOM 0 HG22 VAL A 65 5.087 4.827 3.680 1.00 2.35 H new ATOM 0 HG23 VAL A 65 4.935 4.434 5.409 1.00 2.35 H new ATOM 994 N ASN A 66 4.017 1.428 6.197 1.00 44.31 N ATOM 995 CA ASN A 66 3.273 1.391 7.467 1.00 45.24 C ATOM 996 C ASN A 66 1.826 0.942 7.253 1.00 12.20 C ATOM 997 O ASN A 66 0.888 1.728 7.420 1.00 34.24 O ATOM 998 CB ASN A 66 3.310 2.758 8.170 1.00 11.03 C ATOM 999 CG ASN A 66 2.681 2.742 9.559 1.00 44.22 C ATOM 1000 OD1 ASN A 66 2.680 1.722 10.256 1.00 45.21 O ATOM 1001 ND2 ASN A 66 2.161 3.863 9.973 1.00 51.04 N ATOM 0 H ASN A 66 4.861 0.855 6.195 1.00 44.31 H new ATOM 0 HA ASN A 66 3.763 0.660 8.109 1.00 45.24 H new ATOM 0 HB2 ASN A 66 4.346 3.088 8.252 1.00 11.03 H new ATOM 0 HB3 ASN A 66 2.790 3.490 7.552 1.00 11.03 H new ATOM 0 HD21 ASN A 66 1.736 3.917 10.899 1.00 51.04 H new ATOM 0 HD22 ASN A 66 2.179 4.686 9.371 1.00 51.04 H new ATOM 1008 N LEU A 67 1.642 -0.281 6.808 1.00 13.03 N ATOM 1009 CA LEU A 67 0.303 -0.738 6.520 1.00 72.42 C ATOM 1010 C LEU A 67 -0.442 -1.161 7.764 1.00 30.24 C ATOM 1011 O LEU A 67 0.123 -1.746 8.682 1.00 14.41 O ATOM 1012 CB LEU A 67 0.266 -1.879 5.513 1.00 45.21 C ATOM 1013 CG LEU A 67 0.920 -1.652 4.156 1.00 2.33 C ATOM 1014 CD1 LEU A 67 0.537 -2.750 3.251 1.00 2.01 C ATOM 1015 CD2 LEU A 67 0.539 -0.328 3.548 1.00 13.41 C ATOM 0 H LEU A 67 2.383 -0.962 6.641 1.00 13.03 H new ATOM 0 HA LEU A 67 -0.194 0.127 6.081 1.00 72.42 H new ATOM 0 HB2 LEU A 67 0.741 -2.746 5.972 1.00 45.21 H new ATOM 0 HB3 LEU A 67 -0.778 -2.140 5.342 1.00 45.21 H new ATOM 0 HG LEU A 67 2.000 -1.635 4.302 1.00 2.33 H new ATOM 0 HD11 LEU A 67 1.000 -2.597 2.276 1.00 2.01 H new ATOM 0 HD12 LEU A 67 0.874 -3.699 3.668 1.00 2.01 H new ATOM 0 HD13 LEU A 67 -0.547 -2.768 3.139 1.00 2.01 H new ATOM 0 HD21 LEU A 67 1.032 -0.216 2.582 1.00 13.41 H new ATOM 0 HD22 LEU A 67 -0.542 -0.288 3.411 1.00 13.41 H new ATOM 0 HD23 LEU A 67 0.851 0.480 4.210 1.00 13.41 H new ATOM 1027 N ARG A 68 -1.705 -0.861 7.775 1.00 61.14 N ATOM 1028 CA ARG A 68 -2.593 -1.249 8.827 1.00 4.33 C ATOM 1029 C ARG A 68 -3.879 -1.680 8.155 1.00 5.11 C ATOM 1030 O ARG A 68 -4.384 -0.973 7.276 1.00 34.34 O ATOM 1031 CB ARG A 68 -2.864 -0.061 9.770 1.00 22.11 C ATOM 1032 CG ARG A 68 -3.587 -0.413 11.041 1.00 43.34 C ATOM 1033 CD ARG A 68 -2.720 -1.318 11.900 1.00 51.12 C ATOM 1034 NE ARG A 68 -1.425 -0.696 12.251 1.00 1.35 N ATOM 1035 CZ ARG A 68 -0.381 -1.345 12.811 1.00 2.12 C ATOM 1036 NH1 ARG A 68 -0.469 -2.648 13.085 1.00 73.44 N ATOM 1037 NH2 ARG A 68 0.739 -0.692 13.097 1.00 52.30 N ATOM 0 H ARG A 68 -2.158 -0.326 7.034 1.00 61.14 H new ATOM 0 HA ARG A 68 -2.165 -2.051 9.428 1.00 4.33 H new ATOM 0 HB2 ARG A 68 -1.912 0.404 10.027 1.00 22.11 H new ATOM 0 HB3 ARG A 68 -3.448 0.685 9.232 1.00 22.11 H new ATOM 0 HG2 ARG A 68 -3.835 0.495 11.591 1.00 43.34 H new ATOM 0 HG3 ARG A 68 -4.528 -0.912 10.808 1.00 43.34 H new ATOM 0 HD2 ARG A 68 -3.258 -1.570 12.814 1.00 51.12 H new ATOM 0 HD3 ARG A 68 -2.538 -2.252 11.369 1.00 51.12 H new ATOM 0 HE ARG A 68 -1.312 0.299 12.055 1.00 1.35 H new ATOM 0 HH11 ARG A 68 -1.327 -3.157 12.872 1.00 73.44 H new ATOM 0 HH12 ARG A 68 0.321 -3.135 13.508 1.00 73.44 H new ATOM 0 HH21 ARG A 68 0.814 0.305 12.894 1.00 52.30 H new ATOM 0 HH22 ARG A 68 1.524 -1.187 13.520 1.00 52.30 H new ATOM 1051 N ILE A 69 -4.396 -2.815 8.528 1.00 31.54 N ATOM 1052 CA ILE A 69 -5.584 -3.322 7.890 1.00 25.21 C ATOM 1053 C ILE A 69 -6.897 -2.918 8.516 1.00 1.35 C ATOM 1054 O ILE A 69 -7.348 -3.515 9.476 1.00 40.40 O ATOM 1055 CB ILE A 69 -5.533 -4.831 7.498 1.00 23.40 C ATOM 1056 CG1 ILE A 69 -4.822 -5.731 8.556 1.00 40.30 C ATOM 1057 CG2 ILE A 69 -4.914 -4.997 6.136 1.00 21.52 C ATOM 1058 CD1 ILE A 69 -5.490 -5.822 9.903 1.00 35.15 C ATOM 0 H ILE A 69 -4.018 -3.408 9.267 1.00 31.54 H new ATOM 0 HA ILE A 69 -5.565 -2.780 6.945 1.00 25.21 H new ATOM 0 HB ILE A 69 -6.566 -5.178 7.468 1.00 23.40 H new ATOM 0 HG12 ILE A 69 -4.735 -6.738 8.147 1.00 40.30 H new ATOM 0 HG13 ILE A 69 -3.809 -5.356 8.700 1.00 40.30 H new ATOM 0 HG21 ILE A 69 -4.885 -6.055 5.876 1.00 21.52 H new ATOM 0 HG22 ILE A 69 -5.508 -4.458 5.398 1.00 21.52 H new ATOM 0 HG23 ILE A 69 -3.900 -4.598 6.146 1.00 21.52 H new ATOM 0 HD11 ILE A 69 -4.908 -6.473 10.555 1.00 35.15 H new ATOM 0 HD12 ILE A 69 -5.553 -4.828 10.346 1.00 35.15 H new ATOM 0 HD13 ILE A 69 -6.494 -6.231 9.785 1.00 35.15 H new ATOM 1070 N LYS A 70 -7.470 -1.875 7.940 1.00 50.13 N ATOM 1071 CA LYS A 70 -8.794 -1.352 8.252 1.00 3.55 C ATOM 1072 C LYS A 70 -9.067 -1.216 9.761 1.00 0.32 C ATOM 1073 O LYS A 70 -9.666 -2.143 10.367 1.00 37.68 O ATOM 1074 CB LYS A 70 -9.810 -2.244 7.585 1.00 52.24 C ATOM 1075 CG LYS A 70 -11.210 -1.734 7.580 1.00 1.41 C ATOM 1076 CD LYS A 70 -12.134 -2.784 6.991 1.00 51.12 C ATOM 1077 CE LYS A 70 -13.559 -2.302 6.877 1.00 44.31 C ATOM 1078 NZ LYS A 70 -13.698 -1.190 5.914 1.00 31.51 N ATOM 1079 OXT LYS A 70 -8.699 -0.187 10.339 1.00 37.68 O ATOM 0 H LYS A 70 -7.004 -1.342 7.206 1.00 50.13 H new ATOM 0 HA LYS A 70 -8.862 -0.333 7.870 1.00 3.55 H new ATOM 0 HB2 LYS A 70 -9.499 -2.410 6.554 1.00 52.24 H new ATOM 0 HB3 LYS A 70 -9.797 -3.214 8.082 1.00 52.24 H new ATOM 0 HG2 LYS A 70 -11.522 -1.489 8.595 1.00 1.41 H new ATOM 0 HG3 LYS A 70 -11.270 -0.815 6.998 1.00 1.41 H new ATOM 0 HD2 LYS A 70 -11.771 -3.070 6.004 1.00 51.12 H new ATOM 0 HD3 LYS A 70 -12.105 -3.679 7.613 1.00 51.12 H new ATOM 0 HE2 LYS A 70 -14.197 -3.130 6.568 1.00 44.31 H new ATOM 0 HE3 LYS A 70 -13.910 -1.978 7.857 1.00 44.31 H new ATOM 0 HZ1 LYS A 70 -14.707 -0.993 5.754 1.00 31.51 H new ATOM 0 HZ2 LYS A 70 -13.236 -0.340 6.296 1.00 31.51 H new ATOM 0 HZ3 LYS A 70 -13.249 -1.453 5.013 1.00 31.51 H new