USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 422 hydrogens (29 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 39 LYS NZ :NH3+ 136:sc= 0.361 (180deg=0) USER MOD Set 1.2: A 40 HIS : no HD1:sc= -0.0875 X(o=0.27,f=-0.21) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 147:sc= 1.18 (180deg=0.65) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -111:sc= -0.481 (180deg=-3.04!) USER MOD Single : A 34 SER OG : rot 180:sc= 0.639 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 117:sc= 0.152 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0215 USER MOD Single : A 51 ASN : amide:sc=-0.00632 X(o=-0.0063,f=-0.047) USER MOD Single : A 52 ASN : amide:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 C1 MYR A 1 63.925 -9.939 8.222 1.00-10.00 C HETATM 2 O1 MYR A 1 64.874 -10.258 7.530 1.00-10.00 O HETATM 3 C2 MYR A 1 62.639 -9.398 7.592 1.00-10.00 C HETATM 4 C3 MYR A 1 61.843 -10.556 6.981 1.00-10.00 C HETATM 5 C4 MYR A 1 60.807 -10.006 5.995 1.00-10.00 C HETATM 6 C5 MYR A 1 60.508 -11.058 4.921 1.00-10.00 C HETATM 7 C6 MYR A 1 59.031 -11.459 4.987 1.00-10.00 C HETATM 8 C7 MYR A 1 58.221 -10.588 4.021 1.00-10.00 C HETATM 9 C8 MYR A 1 56.959 -10.077 4.722 1.00-10.00 C HETATM 10 C9 MYR A 1 57.348 -9.063 5.803 1.00-10.00 C HETATM 11 C10 MYR A 1 56.340 -7.909 5.814 1.00-10.00 C HETATM 12 C11 MYR A 1 56.009 -7.529 7.260 1.00-10.00 C HETATM 13 C12 MYR A 1 57.093 -6.595 7.811 1.00-10.00 C HETATM 14 C13 MYR A 1 57.802 -7.270 8.988 1.00-10.00 C HETATM 15 C14 MYR A 1 58.680 -6.246 9.713 1.00-10.00 C HETATM 0 H143 MYR A 1 59.423 -5.849 9.021 1.00-10.00 H new HETATM 0 H142 MYR A 1 58.058 -5.431 10.084 1.00-10.00 H new HETATM 0 H141 MYR A 1 59.184 -6.727 10.551 1.00-10.00 H new HETATM 0 H132 MYR A 1 57.068 -7.688 9.677 1.00-10.00 H new HETATM 0 H131 MYR A 1 58.412 -8.100 8.631 1.00-10.00 H new HETATM 0 H122 MYR A 1 57.813 -6.355 7.029 1.00-10.00 H new HETATM 0 H121 MYR A 1 56.647 -5.654 8.133 1.00-10.00 H new HETATM 0 H112 MYR A 1 55.037 -7.039 7.304 1.00-10.00 H new HETATM 0 H111 MYR A 1 55.941 -8.426 7.875 1.00-10.00 H new HETATM 0 H102 MYR A 1 56.751 -7.049 5.286 1.00-10.00 H new HETATM 0 H101 MYR A 1 55.432 -8.201 5.287 1.00-10.00 H new HETATM 0 H92 MYR A 1 57.371 -9.548 6.779 1.00-10.00 H new HETATM 0 H91 MYR A 1 58.351 -8.681 5.613 1.00-10.00 H new HETATM 0 H82 MYR A 1 56.290 -9.613 3.997 1.00-10.00 H new HETATM 0 H81 MYR A 1 56.416 -10.910 5.169 1.00-10.00 H new HETATM 0 H72 MYR A 1 58.825 -9.747 3.680 1.00-10.00 H new HETATM 0 H71 MYR A 1 57.949 -11.164 3.137 1.00-10.00 H new HETATM 0 H62 MYR A 1 58.917 -12.511 4.727 1.00-10.00 H new HETATM 0 H61 MYR A 1 58.656 -11.339 6.003 1.00-10.00 H new HETATM 0 H52 MYR A 1 60.743 -10.660 3.934 1.00-10.00 H new HETATM 0 H51 MYR A 1 61.139 -11.934 5.070 1.00-10.00 H new HETATM 0 H42 MYR A 1 59.891 -9.742 6.524 1.00-10.00 H new HETATM 0 H41 MYR A 1 61.181 -9.094 5.530 1.00-10.00 H new HETATM 0 H32 MYR A 1 62.517 -11.244 6.470 1.00-10.00 H new HETATM 0 H31 MYR A 1 61.345 -11.123 7.768 1.00-10.00 H new HETATM 0 H22 MYR A 1 62.039 -8.888 8.346 1.00-10.00 H new HETATM 0 H21 MYR A 1 62.879 -8.663 6.824 1.00-10.00 H new ATOM 43 N GLY A 2 63.960 -10.046 9.531 1.00-10.00 N ATOM 44 CA GLY A 2 65.185 -10.570 10.218 1.00-10.00 C ATOM 45 C GLY A 2 64.844 -11.820 11.046 1.00-10.00 C ATOM 46 O GLY A 2 65.545 -12.151 11.985 1.00-10.00 O ATOM 0 HA2 GLY A 2 65.948 -10.813 9.479 1.00-10.00 H new ATOM 0 HA3 GLY A 2 65.603 -9.800 10.866 1.00-10.00 H new ATOM 50 N GLY A 3 63.780 -12.518 10.703 1.00-10.00 N ATOM 51 CA GLY A 3 63.394 -13.751 11.464 1.00-10.00 C ATOM 52 C GLY A 3 63.129 -13.408 12.936 1.00-10.00 C ATOM 53 O GLY A 3 62.589 -12.363 13.250 1.00-10.00 O ATOM 0 H GLY A 3 63.163 -12.283 9.926 1.00-10.00 H new ATOM 0 HA2 GLY A 3 62.503 -14.196 11.021 1.00-10.00 H new ATOM 0 HA3 GLY A 3 64.189 -14.493 11.394 1.00-10.00 H new ATOM 57 N LYS A 4 63.514 -14.289 13.836 1.00-10.00 N ATOM 58 CA LYS A 4 63.301 -14.046 15.303 1.00-10.00 C ATOM 59 C LYS A 4 61.841 -13.624 15.575 1.00-10.00 C ATOM 60 O LYS A 4 61.571 -12.807 16.441 1.00-10.00 O ATOM 61 CB LYS A 4 64.264 -12.942 15.765 1.00-10.00 C ATOM 62 CG LYS A 4 65.524 -13.575 16.365 1.00-10.00 C ATOM 63 CD LYS A 4 66.591 -13.736 15.276 1.00-10.00 C ATOM 64 CE LYS A 4 66.814 -15.225 14.986 1.00-10.00 C ATOM 65 NZ LYS A 4 67.803 -15.783 15.956 1.00-10.00 N ATOM 0 H LYS A 4 63.971 -15.174 13.614 1.00-10.00 H new ATOM 0 HA LYS A 4 63.497 -14.965 15.856 1.00-10.00 H new ATOM 0 HB2 LYS A 4 64.532 -12.303 14.923 1.00-10.00 H new ATOM 0 HB3 LYS A 4 63.777 -12.307 16.505 1.00-10.00 H new ATOM 0 HG2 LYS A 4 65.907 -12.951 17.173 1.00-10.00 H new ATOM 0 HG3 LYS A 4 65.284 -14.546 16.798 1.00-10.00 H new ATOM 0 HD2 LYS A 4 66.277 -13.222 14.367 1.00-10.00 H new ATOM 0 HD3 LYS A 4 67.525 -13.275 15.597 1.00-10.00 H new ATOM 0 HE2 LYS A 4 65.871 -15.766 15.062 1.00-10.00 H new ATOM 0 HE3 LYS A 4 67.176 -15.357 13.966 1.00-10.00 H new ATOM 0 HZ1 LYS A 4 67.952 -16.793 15.757 1.00-10.00 H new ATOM 0 HZ2 LYS A 4 68.705 -15.275 15.863 1.00-10.00 H new ATOM 0 HZ3 LYS A 4 67.441 -15.671 16.924 1.00-10.00 H new ATOM 79 N TRP A 5 60.901 -14.183 14.846 1.00-10.00 N ATOM 80 CA TRP A 5 59.461 -13.825 15.051 1.00-10.00 C ATOM 81 C TRP A 5 58.785 -14.850 15.976 1.00-10.00 C ATOM 82 O TRP A 5 59.349 -15.881 16.294 1.00-10.00 O ATOM 83 CB TRP A 5 58.741 -13.814 13.694 1.00-10.00 C ATOM 84 CG TRP A 5 59.133 -12.600 12.902 1.00-10.00 C ATOM 85 CD1 TRP A 5 59.699 -11.478 13.411 1.00-10.00 C ATOM 86 CD2 TRP A 5 58.991 -12.368 11.468 1.00-10.00 C ATOM 87 NE1 TRP A 5 59.916 -10.580 12.381 1.00-10.00 N ATOM 88 CE2 TRP A 5 59.496 -11.081 11.166 1.00-10.00 C ATOM 89 CE3 TRP A 5 58.478 -13.143 10.411 1.00-10.00 C ATOM 90 CZ2 TRP A 5 59.492 -10.581 9.864 1.00-10.00 C ATOM 91 CZ3 TRP A 5 58.473 -12.642 9.099 1.00-10.00 C ATOM 92 CH2 TRP A 5 58.979 -11.364 8.826 1.00-10.00 C ATOM 0 H TRP A 5 61.072 -14.874 14.116 1.00-10.00 H new ATOM 0 HA TRP A 5 59.403 -12.838 15.511 1.00-10.00 H new ATOM 0 HB2 TRP A 5 58.991 -14.716 13.136 1.00-10.00 H new ATOM 0 HB3 TRP A 5 57.662 -13.823 13.848 1.00-10.00 H new ATOM 0 HD1 TRP A 5 59.941 -11.312 14.450 1.00-10.00 H new ATOM 0 HE1 TRP A 5 60.336 -9.659 12.505 1.00-10.00 H new ATOM 0 HE3 TRP A 5 58.086 -14.129 10.610 1.00-10.00 H new ATOM 0 HZ2 TRP A 5 59.883 -9.595 9.659 1.00-10.00 H new ATOM 0 HZ3 TRP A 5 58.077 -13.245 8.296 1.00-10.00 H new ATOM 0 HH2 TRP A 5 58.973 -10.985 7.815 1.00-10.00 H new ATOM 103 N SER A 6 57.569 -14.562 16.395 1.00-10.00 N ATOM 104 CA SER A 6 56.804 -15.490 17.295 1.00-10.00 C ATOM 105 C SER A 6 57.658 -15.911 18.507 1.00-10.00 C ATOM 106 O SER A 6 58.309 -16.942 18.502 1.00-10.00 O ATOM 107 CB SER A 6 56.382 -16.731 16.499 1.00-10.00 C ATOM 108 OG SER A 6 55.116 -17.179 16.966 1.00-10.00 O ATOM 0 H SER A 6 57.068 -13.709 16.146 1.00-10.00 H new ATOM 0 HA SER A 6 55.921 -14.970 17.667 1.00-10.00 H new ATOM 0 HB2 SER A 6 56.328 -16.495 15.436 1.00-10.00 H new ATOM 0 HB3 SER A 6 57.125 -17.520 16.613 1.00-10.00 H new ATOM 0 HG SER A 6 54.842 -17.971 16.459 1.00-10.00 H new ATOM 114 N LYS A 7 57.642 -15.115 19.552 1.00-10.00 N ATOM 115 CA LYS A 7 58.431 -15.449 20.783 1.00-10.00 C ATOM 116 C LYS A 7 57.793 -14.765 22.004 1.00-10.00 C ATOM 117 O LYS A 7 57.324 -13.643 21.924 1.00-10.00 O ATOM 118 CB LYS A 7 59.883 -14.975 20.618 1.00-10.00 C ATOM 119 CG LYS A 7 59.915 -13.498 20.206 1.00-10.00 C ATOM 120 CD LYS A 7 61.126 -12.811 20.847 1.00-10.00 C ATOM 121 CE LYS A 7 62.411 -13.272 20.153 1.00-10.00 C ATOM 122 NZ LYS A 7 62.634 -12.462 18.920 1.00-10.00 N ATOM 0 H LYS A 7 57.114 -14.244 19.605 1.00-10.00 H new ATOM 0 HA LYS A 7 58.426 -16.529 20.932 1.00-10.00 H new ATOM 0 HB2 LYS A 7 60.426 -15.111 21.553 1.00-10.00 H new ATOM 0 HB3 LYS A 7 60.388 -15.581 19.865 1.00-10.00 H new ATOM 0 HG2 LYS A 7 59.969 -13.414 19.121 1.00-10.00 H new ATOM 0 HG3 LYS A 7 58.996 -13.003 20.519 1.00-10.00 H new ATOM 0 HD2 LYS A 7 61.026 -11.729 20.766 1.00-10.00 H new ATOM 0 HD3 LYS A 7 61.170 -13.049 21.910 1.00-10.00 H new ATOM 0 HE2 LYS A 7 63.259 -13.165 20.829 1.00-10.00 H new ATOM 0 HE3 LYS A 7 62.339 -14.329 19.897 1.00-10.00 H new ATOM 0 HZ1 LYS A 7 63.655 -12.341 18.764 1.00-10.00 H new ATOM 0 HZ2 LYS A 7 62.214 -12.950 18.103 1.00-10.00 H new ATOM 0 HZ3 LYS A 7 62.188 -11.529 19.032 1.00-10.00 H new ATOM 136 N SER A 8 57.767 -15.439 23.132 1.00-10.00 N ATOM 137 CA SER A 8 57.154 -14.838 24.362 1.00-10.00 C ATOM 138 C SER A 8 57.775 -15.456 25.625 1.00-10.00 C ATOM 139 O SER A 8 58.439 -16.476 25.569 1.00-10.00 O ATOM 140 CB SER A 8 55.646 -15.102 24.357 1.00-10.00 C ATOM 141 OG SER A 8 54.974 -13.991 24.938 1.00-10.00 O ATOM 0 H SER A 8 58.144 -16.379 23.254 1.00-10.00 H new ATOM 0 HA SER A 8 57.344 -13.765 24.364 1.00-10.00 H new ATOM 0 HB2 SER A 8 55.296 -15.261 23.337 1.00-10.00 H new ATOM 0 HB3 SER A 8 55.422 -16.011 24.916 1.00-10.00 H new ATOM 0 HG SER A 8 54.008 -14.155 24.935 1.00-10.00 H new ATOM 147 N SER A 9 57.553 -14.841 26.765 1.00-10.00 N ATOM 148 CA SER A 9 58.115 -15.375 28.049 1.00-10.00 C ATOM 149 C SER A 9 56.974 -15.648 29.047 1.00-10.00 C ATOM 150 O SER A 9 55.811 -15.443 28.744 1.00-10.00 O ATOM 151 CB SER A 9 59.091 -14.353 28.643 1.00-10.00 C ATOM 152 OG SER A 9 58.403 -13.137 28.917 1.00-10.00 O ATOM 0 H SER A 9 57.003 -13.987 26.861 1.00-10.00 H new ATOM 0 HA SER A 9 58.643 -16.308 27.851 1.00-10.00 H new ATOM 0 HB2 SER A 9 59.533 -14.747 29.558 1.00-10.00 H new ATOM 0 HB3 SER A 9 59.910 -14.170 27.947 1.00-10.00 H new ATOM 0 HG SER A 9 59.029 -12.486 29.298 1.00-10.00 H new ATOM 158 N VAL A 10 57.299 -16.115 30.233 1.00-10.00 N ATOM 159 CA VAL A 10 56.237 -16.409 31.249 1.00-10.00 C ATOM 160 C VAL A 10 56.826 -16.344 32.674 1.00-10.00 C ATOM 161 O VAL A 10 58.023 -16.228 32.851 1.00-10.00 O ATOM 162 CB VAL A 10 55.659 -17.809 30.974 1.00-10.00 C ATOM 163 CG1 VAL A 10 56.556 -18.887 31.592 1.00-10.00 C ATOM 164 CG2 VAL A 10 54.252 -17.915 31.569 1.00-10.00 C ATOM 0 H VAL A 10 58.253 -16.304 30.539 1.00-10.00 H new ATOM 0 HA VAL A 10 55.444 -15.665 31.175 1.00-10.00 H new ATOM 0 HB VAL A 10 55.612 -17.961 29.896 1.00-10.00 H new ATOM 0 HG11 VAL A 10 56.134 -19.871 31.389 1.00-10.00 H new ATOM 0 HG12 VAL A 10 57.554 -18.823 31.158 1.00-10.00 H new ATOM 0 HG13 VAL A 10 56.619 -18.734 32.669 1.00-10.00 H new ATOM 0 HG21 VAL A 10 53.847 -18.908 31.372 1.00-10.00 H new ATOM 0 HG22 VAL A 10 54.299 -17.750 32.645 1.00-10.00 H new ATOM 0 HG23 VAL A 10 53.607 -17.163 31.114 1.00-10.00 H new ATOM 174 N VAL A 11 55.971 -16.433 33.676 1.00-10.00 N ATOM 175 CA VAL A 11 56.403 -16.392 35.120 1.00-10.00 C ATOM 176 C VAL A 11 57.167 -15.096 35.463 1.00-10.00 C ATOM 177 O VAL A 11 57.762 -14.450 34.618 1.00-10.00 O ATOM 178 CB VAL A 11 57.260 -17.637 35.445 1.00-10.00 C ATOM 179 CG1 VAL A 11 58.761 -17.318 35.370 1.00-10.00 C ATOM 180 CG2 VAL A 11 56.923 -18.124 36.858 1.00-10.00 C ATOM 0 H VAL A 11 54.964 -16.535 33.548 1.00-10.00 H new ATOM 0 HA VAL A 11 55.505 -16.401 35.738 1.00-10.00 H new ATOM 0 HB VAL A 11 57.035 -18.409 34.709 1.00-10.00 H new ATOM 0 HG11 VAL A 11 59.336 -18.214 35.604 1.00-10.00 H new ATOM 0 HG12 VAL A 11 59.011 -16.979 34.365 1.00-10.00 H new ATOM 0 HG13 VAL A 11 59.003 -16.534 36.088 1.00-10.00 H new ATOM 0 HG21 VAL A 11 57.524 -19.002 37.093 1.00-10.00 H new ATOM 0 HG22 VAL A 11 57.139 -17.333 37.577 1.00-10.00 H new ATOM 0 HG23 VAL A 11 55.866 -18.384 36.911 1.00-10.00 H new ATOM 190 N GLY A 12 57.136 -14.717 36.721 1.00-10.00 N ATOM 191 CA GLY A 12 57.838 -13.474 37.173 1.00-10.00 C ATOM 192 C GLY A 12 58.160 -13.570 38.672 1.00-10.00 C ATOM 193 O GLY A 12 57.830 -14.543 39.328 1.00-10.00 O ATOM 0 H GLY A 12 56.648 -15.223 37.460 1.00-10.00 H new ATOM 0 HA2 GLY A 12 58.757 -13.337 36.603 1.00-10.00 H new ATOM 0 HA3 GLY A 12 57.212 -12.603 36.982 1.00-10.00 H new ATOM 197 N TRP A 13 58.802 -12.562 39.217 1.00-10.00 N ATOM 198 CA TRP A 13 59.152 -12.580 40.676 1.00-10.00 C ATOM 199 C TRP A 13 59.413 -11.141 41.168 1.00-10.00 C ATOM 200 O TRP A 13 60.550 -10.715 41.273 1.00-10.00 O ATOM 201 CB TRP A 13 60.401 -13.455 40.912 1.00-10.00 C ATOM 202 CG TRP A 13 61.299 -13.435 39.709 1.00-10.00 C ATOM 203 CD1 TRP A 13 62.134 -12.423 39.376 1.00-10.00 C ATOM 204 CD2 TRP A 13 61.464 -14.455 38.682 1.00-10.00 C ATOM 205 NE1 TRP A 13 62.798 -12.757 38.209 1.00-10.00 N ATOM 206 CE2 TRP A 13 62.420 -14.000 37.744 1.00-10.00 C ATOM 207 CE3 TRP A 13 60.882 -15.719 38.476 1.00-10.00 C ATOM 208 CZ2 TRP A 13 62.786 -14.771 36.640 1.00-10.00 C ATOM 209 CZ3 TRP A 13 61.249 -16.498 37.367 1.00-10.00 C ATOM 210 CH2 TRP A 13 62.199 -16.024 36.450 1.00-10.00 C ATOM 0 H TRP A 13 59.099 -11.726 38.714 1.00-10.00 H new ATOM 0 HA TRP A 13 58.318 -13.003 41.236 1.00-10.00 H new ATOM 0 HB2 TRP A 13 60.945 -13.093 41.784 1.00-10.00 H new ATOM 0 HB3 TRP A 13 60.098 -14.479 41.128 1.00-10.00 H new ATOM 0 HD1 TRP A 13 62.261 -11.505 39.931 1.00-10.00 H new ATOM 0 HE1 TRP A 13 63.483 -12.158 37.749 1.00-10.00 H new ATOM 0 HE3 TRP A 13 60.148 -16.092 39.175 1.00-10.00 H new ATOM 0 HZ2 TRP A 13 63.518 -14.401 35.937 1.00-10.00 H new ATOM 0 HZ3 TRP A 13 60.797 -17.468 37.219 1.00-10.00 H new ATOM 0 HH2 TRP A 13 62.476 -16.627 35.598 1.00-10.00 H new ATOM 221 N PRO A 14 58.339 -10.431 41.454 1.00-10.00 N ATOM 222 CA PRO A 14 58.401 -9.032 41.937 1.00-10.00 C ATOM 223 C PRO A 14 58.707 -8.974 43.449 1.00-10.00 C ATOM 224 O PRO A 14 58.085 -8.229 44.185 1.00-10.00 O ATOM 225 CB PRO A 14 56.992 -8.498 41.642 1.00-10.00 C ATOM 226 CG PRO A 14 56.062 -9.733 41.563 1.00-10.00 C ATOM 227 CD PRO A 14 56.964 -10.956 41.315 1.00-10.00 C ATOM 0 HA PRO A 14 59.190 -8.452 41.459 1.00-10.00 H new ATOM 0 HB2 PRO A 14 56.664 -7.815 42.425 1.00-10.00 H new ATOM 0 HB3 PRO A 14 56.977 -7.940 40.706 1.00-10.00 H new ATOM 0 HG2 PRO A 14 55.497 -9.851 42.488 1.00-10.00 H new ATOM 0 HG3 PRO A 14 55.336 -9.619 40.758 1.00-10.00 H new ATOM 0 HD2 PRO A 14 56.766 -11.749 42.036 1.00-10.00 H new ATOM 0 HD3 PRO A 14 56.798 -11.378 40.324 1.00-10.00 H new ATOM 235 N ALA A 15 59.663 -9.747 43.914 1.00-10.00 N ATOM 236 CA ALA A 15 60.011 -9.735 45.372 1.00-10.00 C ATOM 237 C ALA A 15 60.785 -8.454 45.712 1.00-10.00 C ATOM 238 O ALA A 15 60.459 -7.756 46.657 1.00-10.00 O ATOM 239 CB ALA A 15 60.871 -10.958 45.702 1.00-10.00 C ATOM 0 H ALA A 15 60.218 -10.386 43.345 1.00-10.00 H new ATOM 0 HA ALA A 15 59.094 -9.766 45.961 1.00-10.00 H new ATOM 0 HB1 ALA A 15 61.124 -10.949 46.762 1.00-10.00 H new ATOM 0 HB2 ALA A 15 60.316 -11.867 45.469 1.00-10.00 H new ATOM 0 HB3 ALA A 15 61.786 -10.930 45.110 1.00-10.00 H new ATOM 245 N VAL A 16 61.805 -8.141 44.942 1.00-10.00 N ATOM 246 CA VAL A 16 62.614 -6.903 45.199 1.00-10.00 C ATOM 247 C VAL A 16 61.699 -5.668 45.161 1.00-10.00 C ATOM 248 O VAL A 16 61.931 -4.699 45.860 1.00-10.00 O ATOM 249 CB VAL A 16 63.705 -6.767 44.127 1.00-10.00 C ATOM 250 CG1 VAL A 16 64.586 -5.554 44.439 1.00-10.00 C ATOM 251 CG2 VAL A 16 64.575 -8.028 44.114 1.00-10.00 C ATOM 0 H VAL A 16 62.113 -8.694 44.142 1.00-10.00 H new ATOM 0 HA VAL A 16 63.080 -6.977 46.182 1.00-10.00 H new ATOM 0 HB VAL A 16 63.233 -6.637 43.153 1.00-10.00 H new ATOM 0 HG11 VAL A 16 65.359 -5.460 43.677 1.00-10.00 H new ATOM 0 HG12 VAL A 16 63.974 -4.652 44.448 1.00-10.00 H new ATOM 0 HG13 VAL A 16 65.053 -5.685 45.415 1.00-10.00 H new ATOM 0 HG21 VAL A 16 65.348 -7.929 43.352 1.00-10.00 H new ATOM 0 HG22 VAL A 16 65.042 -8.158 45.090 1.00-10.00 H new ATOM 0 HG23 VAL A 16 63.955 -8.896 43.890 1.00-10.00 H new ATOM 261 N ARG A 17 60.664 -5.709 44.349 1.00-10.00 N ATOM 262 CA ARG A 17 59.706 -4.559 44.237 1.00-10.00 C ATOM 263 C ARG A 17 59.294 -4.056 45.634 1.00-10.00 C ATOM 264 O ARG A 17 59.102 -2.869 45.838 1.00-10.00 O ATOM 265 CB ARG A 17 58.466 -5.035 43.467 1.00-10.00 C ATOM 266 CG ARG A 17 57.383 -3.950 43.473 1.00-10.00 C ATOM 267 CD ARG A 17 56.017 -4.599 43.710 1.00-10.00 C ATOM 268 NE ARG A 17 55.974 -5.185 45.083 1.00-10.00 N ATOM 269 CZ ARG A 17 55.150 -4.708 45.970 1.00-10.00 C ATOM 270 NH1 ARG A 17 55.444 -3.608 46.604 1.00-10.00 N ATOM 271 NH2 ARG A 17 54.037 -5.337 46.228 1.00-10.00 N ATOM 0 H ARG A 17 60.440 -6.504 43.750 1.00-10.00 H new ATOM 0 HA ARG A 17 60.186 -3.735 43.710 1.00-10.00 H new ATOM 0 HB2 ARG A 17 58.739 -5.279 42.440 1.00-10.00 H new ATOM 0 HB3 ARG A 17 58.078 -5.948 43.919 1.00-10.00 H new ATOM 0 HG2 ARG A 17 57.590 -3.217 44.253 1.00-10.00 H new ATOM 0 HG3 ARG A 17 57.384 -3.414 42.524 1.00-10.00 H new ATOM 0 HD2 ARG A 17 55.226 -3.858 43.595 1.00-10.00 H new ATOM 0 HD3 ARG A 17 55.838 -5.375 42.966 1.00-10.00 H new ATOM 0 HE ARG A 17 56.591 -5.960 45.326 1.00-10.00 H new ATOM 0 HH11 ARG A 17 56.319 -3.123 46.405 1.00-10.00 H new ATOM 0 HH12 ARG A 17 54.799 -3.232 47.300 1.00-10.00 H new ATOM 0 HH21 ARG A 17 53.814 -6.201 45.735 1.00-10.00 H new ATOM 0 HH22 ARG A 17 53.390 -4.965 46.923 1.00-10.00 H new ATOM 285 N GLU A 18 59.152 -4.945 46.589 1.00-10.00 N ATOM 286 CA GLU A 18 58.744 -4.525 47.967 1.00-10.00 C ATOM 287 C GLU A 18 59.853 -3.693 48.634 1.00-10.00 C ATOM 288 O GLU A 18 59.628 -2.563 49.026 1.00-10.00 O ATOM 289 CB GLU A 18 58.462 -5.771 48.815 1.00-10.00 C ATOM 290 CG GLU A 18 57.015 -6.227 48.598 1.00-10.00 C ATOM 291 CD GLU A 18 56.997 -7.535 47.797 1.00-10.00 C ATOM 292 OE1 GLU A 18 57.228 -8.578 48.389 1.00-10.00 O ATOM 293 OE2 GLU A 18 56.751 -7.470 46.604 1.00-10.00 O ATOM 0 H GLU A 18 59.302 -5.947 46.472 1.00-10.00 H new ATOM 0 HA GLU A 18 57.846 -3.912 47.894 1.00-10.00 H new ATOM 0 HB2 GLU A 18 59.150 -6.571 48.543 1.00-10.00 H new ATOM 0 HB3 GLU A 18 58.630 -5.551 49.869 1.00-10.00 H new ATOM 0 HG2 GLU A 18 56.522 -6.372 49.559 1.00-10.00 H new ATOM 0 HG3 GLU A 18 56.457 -5.456 48.066 1.00-10.00 H new ATOM 300 N ARG A 19 61.037 -4.246 48.780 1.00-10.00 N ATOM 301 CA ARG A 19 62.152 -3.488 49.444 1.00-10.00 C ATOM 302 C ARG A 19 62.645 -2.332 48.555 1.00-10.00 C ATOM 303 O ARG A 19 63.059 -1.300 49.053 1.00-10.00 O ATOM 304 CB ARG A 19 63.317 -4.439 49.768 1.00-10.00 C ATOM 305 CG ARG A 19 63.974 -4.954 48.480 1.00-10.00 C ATOM 306 CD ARG A 19 65.474 -4.640 48.506 1.00-10.00 C ATOM 307 NE ARG A 19 65.714 -3.283 47.927 1.00-10.00 N ATOM 308 CZ ARG A 19 66.395 -2.395 48.597 1.00-10.00 C ATOM 309 NH1 ARG A 19 67.683 -2.535 48.741 1.00-10.00 N ATOM 310 NH2 ARG A 19 65.789 -1.364 49.115 1.00-10.00 N ATOM 0 H ARG A 19 61.280 -5.187 48.469 1.00-10.00 H new ATOM 0 HA ARG A 19 61.767 -3.062 50.371 1.00-10.00 H new ATOM 0 HB2 ARG A 19 64.057 -3.920 50.377 1.00-10.00 H new ATOM 0 HB3 ARG A 19 62.953 -5.280 50.357 1.00-10.00 H new ATOM 0 HG2 ARG A 19 63.819 -6.029 48.385 1.00-10.00 H new ATOM 0 HG3 ARG A 19 63.510 -4.487 47.611 1.00-10.00 H new ATOM 0 HD2 ARG A 19 65.846 -4.680 49.530 1.00-10.00 H new ATOM 0 HD3 ARG A 19 66.023 -5.391 47.937 1.00-10.00 H new ATOM 0 HE ARG A 19 65.344 -3.051 47.005 1.00-10.00 H new ATOM 0 HH11 ARG A 19 68.158 -3.339 48.330 1.00-10.00 H new ATOM 0 HH12 ARG A 19 68.216 -1.841 49.265 1.00-10.00 H new ATOM 0 HH21 ARG A 19 64.782 -1.252 48.996 1.00-10.00 H new ATOM 0 HH22 ARG A 19 66.322 -0.670 49.639 1.00-10.00 H new ATOM 324 N MET A 20 62.612 -2.494 47.252 1.00-10.00 N ATOM 325 CA MET A 20 63.084 -1.405 46.336 1.00-10.00 C ATOM 326 C MET A 20 62.078 -0.237 46.321 1.00-10.00 C ATOM 327 O MET A 20 62.405 0.850 45.884 1.00-10.00 O ATOM 328 CB MET A 20 63.277 -1.965 44.917 1.00-10.00 C ATOM 329 CG MET A 20 61.924 -2.136 44.217 1.00-10.00 C ATOM 330 SD MET A 20 61.719 -0.839 42.971 1.00-10.00 S ATOM 331 CE MET A 20 59.988 -0.445 43.326 1.00-10.00 C ATOM 0 H MET A 20 62.278 -3.336 46.783 1.00-10.00 H new ATOM 0 HA MET A 20 64.039 -1.027 46.701 1.00-10.00 H new ATOM 0 HB2 MET A 20 63.910 -1.293 44.338 1.00-10.00 H new ATOM 0 HB3 MET A 20 63.792 -2.925 44.966 1.00-10.00 H new ATOM 0 HG2 MET A 20 61.867 -3.118 43.747 1.00-10.00 H new ATOM 0 HG3 MET A 20 61.116 -2.085 44.947 1.00-10.00 H new ATOM 0 HE1 MET A 20 59.363 -0.768 42.494 1.00-10.00 H new ATOM 0 HE2 MET A 20 59.677 -0.960 44.235 1.00-10.00 H new ATOM 0 HE3 MET A 20 59.881 0.631 43.464 1.00-10.00 H new ATOM 341 N ARG A 21 60.860 -0.460 46.781 1.00-10.00 N ATOM 342 CA ARG A 21 59.823 0.626 46.789 1.00-10.00 C ATOM 343 C ARG A 21 60.423 1.940 47.317 1.00-10.00 C ATOM 344 O ARG A 21 60.466 2.929 46.607 1.00-10.00 O ATOM 345 CB ARG A 21 58.649 0.196 47.680 1.00-10.00 C ATOM 346 CG ARG A 21 57.465 1.148 47.477 1.00-10.00 C ATOM 347 CD ARG A 21 57.415 2.161 48.625 1.00-10.00 C ATOM 348 NE ARG A 21 57.012 1.472 49.888 1.00-10.00 N ATOM 349 CZ ARG A 21 57.395 1.943 51.042 1.00-10.00 C ATOM 350 NH1 ARG A 21 56.725 2.911 51.604 1.00-10.00 N ATOM 351 NH2 ARG A 21 58.443 1.442 51.635 1.00-10.00 N ATOM 0 H ARG A 21 60.542 -1.355 47.153 1.00-10.00 H new ATOM 0 HA ARG A 21 59.472 0.791 45.770 1.00-10.00 H new ATOM 0 HB2 ARG A 21 58.352 -0.825 47.438 1.00-10.00 H new ATOM 0 HB3 ARG A 21 58.955 0.200 48.726 1.00-10.00 H new ATOM 0 HG2 ARG A 21 57.563 1.668 46.524 1.00-10.00 H new ATOM 0 HG3 ARG A 21 56.534 0.583 47.437 1.00-10.00 H new ATOM 0 HD2 ARG A 21 58.391 2.631 48.751 1.00-10.00 H new ATOM 0 HD3 ARG A 21 56.707 2.956 48.391 1.00-10.00 H new ATOM 0 HE ARG A 21 56.436 0.631 49.847 1.00-10.00 H new ATOM 0 HH11 ARG A 21 55.903 3.298 51.141 1.00-10.00 H new ATOM 0 HH12 ARG A 21 57.023 3.281 52.507 1.00-10.00 H new ATOM 0 HH21 ARG A 21 58.963 0.682 51.196 1.00-10.00 H new ATOM 0 HH22 ARG A 21 58.743 1.810 52.538 1.00-10.00 H new ATOM 365 N ARG A 22 60.890 1.961 48.546 1.00-10.00 N ATOM 366 CA ARG A 22 61.492 3.215 49.097 1.00-10.00 C ATOM 367 C ARG A 22 62.987 3.263 48.742 1.00-10.00 C ATOM 368 O ARG A 22 63.382 3.978 47.841 1.00-10.00 O ATOM 369 CB ARG A 22 61.305 3.259 50.621 1.00-10.00 C ATOM 370 CG ARG A 22 60.317 4.374 50.984 1.00-10.00 C ATOM 371 CD ARG A 22 61.075 5.695 51.152 1.00-10.00 C ATOM 372 NE ARG A 22 60.104 6.829 51.186 1.00-10.00 N ATOM 373 CZ ARG A 22 60.445 7.996 50.715 1.00-10.00 C ATOM 374 NH1 ARG A 22 60.265 8.265 49.452 1.00-10.00 N ATOM 375 NH2 ARG A 22 60.965 8.892 51.507 1.00-10.00 N ATOM 0 H ARG A 22 60.879 1.167 49.186 1.00-10.00 H new ATOM 0 HA ARG A 22 60.993 4.080 48.660 1.00-10.00 H new ATOM 0 HB2 ARG A 22 60.934 2.299 50.980 1.00-10.00 H new ATOM 0 HB3 ARG A 22 62.263 3.434 51.111 1.00-10.00 H new ATOM 0 HG2 ARG A 22 59.561 4.473 50.205 1.00-10.00 H new ATOM 0 HG3 ARG A 22 59.793 4.124 51.906 1.00-10.00 H new ATOM 0 HD2 ARG A 22 61.660 5.676 52.072 1.00-10.00 H new ATOM 0 HD3 ARG A 22 61.778 5.830 50.330 1.00-10.00 H new ATOM 0 HE ARG A 22 59.173 6.690 51.578 1.00-10.00 H new ATOM 0 HH11 ARG A 22 59.858 7.563 48.834 1.00-10.00 H new ATOM 0 HH12 ARG A 22 60.531 9.177 49.082 1.00-10.00 H new ATOM 0 HH21 ARG A 22 61.105 8.680 52.495 1.00-10.00 H new ATOM 0 HH22 ARG A 22 61.232 9.805 51.139 1.00-10.00 H new ATOM 389 N ALA A 23 63.804 2.491 49.437 1.00-10.00 N ATOM 390 CA ALA A 23 65.284 2.450 49.164 1.00-10.00 C ATOM 391 C ALA A 23 66.021 1.989 50.433 1.00-10.00 C ATOM 392 O ALA A 23 66.321 0.818 50.590 1.00-10.00 O ATOM 393 CB ALA A 23 65.804 3.835 48.746 1.00-10.00 C ATOM 0 H ALA A 23 63.500 1.879 50.194 1.00-10.00 H new ATOM 0 HA ALA A 23 65.468 1.752 48.348 1.00-10.00 H new ATOM 0 HB1 ALA A 23 66.876 3.779 48.554 1.00-10.00 H new ATOM 0 HB2 ALA A 23 65.290 4.159 47.841 1.00-10.00 H new ATOM 0 HB3 ALA A 23 65.616 4.551 49.546 1.00-10.00 H new ATOM 399 N GLU A 24 66.306 2.905 51.336 1.00-10.00 N ATOM 400 CA GLU A 24 67.020 2.555 52.606 1.00-10.00 C ATOM 401 C GLU A 24 67.275 3.845 53.407 1.00-10.00 C ATOM 402 O GLU A 24 68.046 4.688 52.981 1.00-10.00 O ATOM 403 CB GLU A 24 68.363 1.882 52.283 1.00-10.00 C ATOM 404 CG GLU A 24 68.569 0.673 53.204 1.00-10.00 C ATOM 405 CD GLU A 24 69.049 1.144 54.581 1.00-10.00 C ATOM 406 OE1 GLU A 24 70.205 1.520 54.689 1.00-10.00 O ATOM 407 OE2 GLU A 24 68.253 1.115 55.504 1.00-10.00 O ATOM 0 H GLU A 24 66.069 3.893 51.242 1.00-10.00 H new ATOM 0 HA GLU A 24 66.408 1.867 53.190 1.00-10.00 H new ATOM 0 HB2 GLU A 24 68.380 1.564 51.240 1.00-10.00 H new ATOM 0 HB3 GLU A 24 69.178 2.594 52.413 1.00-10.00 H new ATOM 0 HG2 GLU A 24 67.636 0.118 53.304 1.00-10.00 H new ATOM 0 HG3 GLU A 24 69.300 -0.008 52.767 1.00-10.00 H new ATOM 414 N PRO A 25 66.613 3.969 54.540 1.00-10.00 N ATOM 415 CA PRO A 25 66.749 5.155 55.411 1.00-10.00 C ATOM 416 C PRO A 25 68.078 5.117 56.185 1.00-10.00 C ATOM 417 O PRO A 25 68.199 4.465 57.208 1.00-10.00 O ATOM 418 CB PRO A 25 65.544 5.051 56.354 1.00-10.00 C ATOM 419 CG PRO A 25 65.121 3.564 56.355 1.00-10.00 C ATOM 420 CD PRO A 25 65.675 2.948 55.057 1.00-10.00 C ATOM 0 HA PRO A 25 66.764 6.093 54.857 1.00-10.00 H new ATOM 0 HB2 PRO A 25 65.807 5.381 57.359 1.00-10.00 H new ATOM 0 HB3 PRO A 25 64.727 5.687 56.013 1.00-10.00 H new ATOM 0 HG2 PRO A 25 65.519 3.049 57.229 1.00-10.00 H new ATOM 0 HG3 PRO A 25 64.036 3.470 56.396 1.00-10.00 H new ATOM 0 HD2 PRO A 25 66.182 2.003 55.250 1.00-10.00 H new ATOM 0 HD3 PRO A 25 64.878 2.742 54.343 1.00-10.00 H new ATOM 428 N ALA A 26 69.072 5.819 55.692 1.00-10.00 N ATOM 429 CA ALA A 26 70.403 5.849 56.374 1.00-10.00 C ATOM 430 C ALA A 26 70.885 7.303 56.502 1.00-10.00 C ATOM 431 O ALA A 26 70.563 8.147 55.682 1.00-10.00 O ATOM 432 CB ALA A 26 71.410 5.043 55.549 1.00-10.00 C ATOM 0 H ALA A 26 69.016 6.376 54.840 1.00-10.00 H new ATOM 0 HA ALA A 26 70.314 5.413 57.369 1.00-10.00 H new ATOM 0 HB1 ALA A 26 72.382 5.062 56.042 1.00-10.00 H new ATOM 0 HB2 ALA A 26 71.067 4.012 55.462 1.00-10.00 H new ATOM 0 HB3 ALA A 26 71.499 5.481 54.555 1.00-10.00 H new ATOM 438 N ALA A 27 71.651 7.601 57.527 1.00-10.00 N ATOM 439 CA ALA A 27 72.153 8.998 57.719 1.00-10.00 C ATOM 440 C ALA A 27 73.670 9.045 57.491 1.00-10.00 C ATOM 441 O ALA A 27 74.440 8.521 58.276 1.00-10.00 O ATOM 442 CB ALA A 27 71.832 9.461 59.144 1.00-10.00 C ATOM 0 H ALA A 27 71.950 6.935 58.239 1.00-10.00 H new ATOM 0 HA ALA A 27 71.666 9.658 57.001 1.00-10.00 H new ATOM 0 HB1 ALA A 27 72.196 10.478 59.287 1.00-10.00 H new ATOM 0 HB2 ALA A 27 70.754 9.437 59.300 1.00-10.00 H new ATOM 0 HB3 ALA A 27 72.317 8.798 59.860 1.00-10.00 H new ATOM 448 N ASP A 28 74.094 9.681 56.418 1.00-10.00 N ATOM 449 CA ASP A 28 75.556 9.795 56.100 1.00-10.00 C ATOM 450 C ASP A 28 76.249 8.426 56.245 1.00-10.00 C ATOM 451 O ASP A 28 77.014 8.193 57.167 1.00-10.00 O ATOM 452 CB ASP A 28 76.200 10.822 57.045 1.00-10.00 C ATOM 453 CG ASP A 28 77.273 11.616 56.292 1.00-10.00 C ATOM 454 OD1 ASP A 28 76.918 12.588 55.645 1.00-10.00 O ATOM 455 OD2 ASP A 28 78.430 11.239 56.377 1.00-10.00 O ATOM 0 H ASP A 28 73.478 10.131 55.741 1.00-10.00 H new ATOM 0 HA ASP A 28 75.674 10.127 55.068 1.00-10.00 H new ATOM 0 HB2 ASP A 28 75.440 11.499 57.435 1.00-10.00 H new ATOM 0 HB3 ASP A 28 76.644 10.314 57.901 1.00-10.00 H new ATOM 460 N GLY A 29 75.983 7.520 55.332 1.00-10.00 N ATOM 461 CA GLY A 29 76.614 6.164 55.395 1.00-10.00 C ATOM 462 C GLY A 29 77.548 5.968 54.195 1.00-10.00 C ATOM 463 O GLY A 29 78.330 6.840 53.859 1.00-10.00 O ATOM 0 H GLY A 29 75.353 7.664 54.543 1.00-10.00 H new ATOM 0 HA2 GLY A 29 77.174 6.056 56.324 1.00-10.00 H new ATOM 0 HA3 GLY A 29 75.843 5.394 55.396 1.00-10.00 H new ATOM 467 N VAL A 30 77.473 4.826 53.550 1.00-10.00 N ATOM 468 CA VAL A 30 78.354 4.556 52.369 1.00-10.00 C ATOM 469 C VAL A 30 77.602 3.690 51.348 1.00-10.00 C ATOM 470 O VAL A 30 77.153 2.599 51.654 1.00-10.00 O ATOM 471 CB VAL A 30 79.632 3.828 52.818 1.00-10.00 C ATOM 472 CG1 VAL A 30 80.618 4.836 53.415 1.00-10.00 C ATOM 473 CG2 VAL A 30 79.290 2.767 53.872 1.00-10.00 C ATOM 0 H VAL A 30 76.836 4.067 53.793 1.00-10.00 H new ATOM 0 HA VAL A 30 78.627 5.505 51.909 1.00-10.00 H new ATOM 0 HB VAL A 30 80.084 3.343 51.953 1.00-10.00 H new ATOM 0 HG11 VAL A 30 81.522 4.316 53.732 1.00-10.00 H new ATOM 0 HG12 VAL A 30 80.873 5.584 52.664 1.00-10.00 H new ATOM 0 HG13 VAL A 30 80.161 5.326 54.275 1.00-10.00 H new ATOM 0 HG21 VAL A 30 80.201 2.257 54.184 1.00-10.00 H new ATOM 0 HG22 VAL A 30 78.829 3.247 54.735 1.00-10.00 H new ATOM 0 HG23 VAL A 30 78.596 2.042 53.447 1.00-10.00 H new ATOM 483 N GLY A 31 77.466 4.174 50.136 1.00-10.00 N ATOM 484 CA GLY A 31 76.750 3.394 49.078 1.00-10.00 C ATOM 485 C GLY A 31 77.720 2.408 48.418 1.00-10.00 C ATOM 486 O GLY A 31 77.433 1.230 48.300 1.00-10.00 O ATOM 0 H GLY A 31 77.822 5.081 49.833 1.00-10.00 H new ATOM 0 HA2 GLY A 31 75.910 2.855 49.516 1.00-10.00 H new ATOM 0 HA3 GLY A 31 76.339 4.071 48.329 1.00-10.00 H new ATOM 490 N ALA A 32 78.865 2.885 47.988 1.00-10.00 N ATOM 491 CA ALA A 32 79.869 1.992 47.332 1.00-10.00 C ATOM 492 C ALA A 32 81.291 2.475 47.666 1.00-10.00 C ATOM 493 O ALA A 32 81.475 3.397 48.442 1.00-10.00 O ATOM 494 CB ALA A 32 79.653 2.025 45.815 1.00-10.00 C ATOM 0 H ALA A 32 79.147 3.862 48.065 1.00-10.00 H new ATOM 0 HA ALA A 32 79.747 0.972 47.697 1.00-10.00 H new ATOM 0 HB1 ALA A 32 80.382 1.376 45.330 1.00-10.00 H new ATOM 0 HB2 ALA A 32 78.646 1.677 45.583 1.00-10.00 H new ATOM 0 HB3 ALA A 32 79.777 3.045 45.452 1.00-10.00 H new ATOM 500 N ALA A 33 82.297 1.860 47.084 1.00-10.00 N ATOM 501 CA ALA A 33 83.703 2.287 47.364 1.00-10.00 C ATOM 502 C ALA A 33 83.990 3.587 46.600 1.00-10.00 C ATOM 503 O ALA A 33 83.929 4.663 47.167 1.00-10.00 O ATOM 504 CB ALA A 33 84.675 1.186 46.925 1.00-10.00 C ATOM 0 H ALA A 33 82.203 1.083 46.430 1.00-10.00 H new ATOM 0 HA ALA A 33 83.834 2.459 48.432 1.00-10.00 H new ATOM 0 HB1 ALA A 33 85.698 1.501 47.131 1.00-10.00 H new ATOM 0 HB2 ALA A 33 84.460 0.270 47.475 1.00-10.00 H new ATOM 0 HB3 ALA A 33 84.559 1.003 45.857 1.00-10.00 H new ATOM 510 N SER A 34 84.278 3.507 45.318 1.00-10.00 N ATOM 511 CA SER A 34 84.537 4.755 44.535 1.00-10.00 C ATOM 512 C SER A 34 83.203 5.291 43.995 1.00-10.00 C ATOM 513 O SER A 34 82.649 6.229 44.537 1.00-10.00 O ATOM 514 CB SER A 34 85.517 4.476 43.384 1.00-10.00 C ATOM 515 OG SER A 34 84.966 3.512 42.494 1.00-10.00 O ATOM 0 H SER A 34 84.344 2.638 44.788 1.00-10.00 H new ATOM 0 HA SER A 34 84.991 5.504 45.183 1.00-10.00 H new ATOM 0 HB2 SER A 34 85.730 5.400 42.846 1.00-10.00 H new ATOM 0 HB3 SER A 34 86.465 4.114 43.783 1.00-10.00 H new ATOM 0 HG SER A 34 85.597 3.343 41.764 1.00-10.00 H new ATOM 521 N ARG A 35 82.676 4.698 42.944 1.00-10.00 N ATOM 522 CA ARG A 35 81.371 5.176 42.394 1.00-10.00 C ATOM 523 C ARG A 35 80.231 4.256 42.875 1.00-10.00 C ATOM 524 O ARG A 35 79.749 4.400 43.983 1.00-10.00 O ATOM 525 CB ARG A 35 81.440 5.197 40.861 1.00-10.00 C ATOM 526 CG ARG A 35 82.441 6.265 40.410 1.00-10.00 C ATOM 527 CD ARG A 35 83.383 5.678 39.356 1.00-10.00 C ATOM 528 NE ARG A 35 84.222 4.606 39.971 1.00-10.00 N ATOM 529 CZ ARG A 35 84.729 3.665 39.226 1.00-10.00 C ATOM 530 NH1 ARG A 35 84.025 2.603 38.949 1.00-10.00 N ATOM 531 NH2 ARG A 35 85.940 3.787 38.761 1.00-10.00 N ATOM 0 H ARG A 35 83.093 3.909 42.450 1.00-10.00 H new ATOM 0 HA ARG A 35 81.171 6.186 42.751 1.00-10.00 H new ATOM 0 HB2 ARG A 35 81.742 4.219 40.486 1.00-10.00 H new ATOM 0 HB3 ARG A 35 80.455 5.408 40.445 1.00-10.00 H new ATOM 0 HG2 ARG A 35 81.910 7.124 39.999 1.00-10.00 H new ATOM 0 HG3 ARG A 35 83.015 6.624 41.265 1.00-10.00 H new ATOM 0 HD2 ARG A 35 82.806 5.270 38.526 1.00-10.00 H new ATOM 0 HD3 ARG A 35 84.020 6.462 38.947 1.00-10.00 H new ATOM 0 HE ARG A 35 84.398 4.611 40.976 1.00-10.00 H new ATOM 0 HH11 ARG A 35 83.078 2.509 39.315 1.00-10.00 H new ATOM 0 HH12 ARG A 35 84.422 1.866 38.366 1.00-10.00 H new ATOM 0 HH21 ARG A 35 86.489 4.618 38.980 1.00-10.00 H new ATOM 0 HH22 ARG A 35 86.339 3.051 38.178 1.00-10.00 H new ATOM 545 N ASP A 36 79.798 3.314 42.056 1.00-10.00 N ATOM 546 CA ASP A 36 78.694 2.389 42.472 1.00-10.00 C ATOM 547 C ASP A 36 79.129 0.921 42.319 1.00-10.00 C ATOM 548 O ASP A 36 79.177 0.171 43.278 1.00-10.00 O ATOM 549 CB ASP A 36 77.459 2.655 41.600 1.00-10.00 C ATOM 550 CG ASP A 36 76.925 4.063 41.878 1.00-10.00 C ATOM 551 OD1 ASP A 36 76.135 4.206 42.796 1.00-10.00 O ATOM 552 OD2 ASP A 36 77.314 4.975 41.165 1.00-10.00 O ATOM 0 H ASP A 36 80.165 3.150 41.119 1.00-10.00 H new ATOM 0 HA ASP A 36 78.456 2.571 43.520 1.00-10.00 H new ATOM 0 HB2 ASP A 36 77.718 2.555 40.546 1.00-10.00 H new ATOM 0 HB3 ASP A 36 76.687 1.915 41.810 1.00-10.00 H new ATOM 557 N LEU A 37 79.414 0.512 41.100 1.00-10.00 N ATOM 558 CA LEU A 37 79.813 -0.907 40.820 1.00-10.00 C ATOM 559 C LEU A 37 81.106 -1.289 41.554 1.00-10.00 C ATOM 560 O LEU A 37 81.261 -2.421 41.967 1.00-10.00 O ATOM 561 CB LEU A 37 80.027 -1.080 39.311 1.00-10.00 C ATOM 562 CG LEU A 37 79.507 -2.450 38.867 1.00-10.00 C ATOM 563 CD1 LEU A 37 79.157 -2.404 37.379 1.00-10.00 C ATOM 564 CD2 LEU A 37 80.584 -3.514 39.102 1.00-10.00 C ATOM 0 H LEU A 37 79.386 1.113 40.276 1.00-10.00 H new ATOM 0 HA LEU A 37 79.015 -1.558 41.176 1.00-10.00 H new ATOM 0 HB2 LEU A 37 79.508 -0.290 38.768 1.00-10.00 H new ATOM 0 HB3 LEU A 37 81.086 -0.988 39.072 1.00-10.00 H new ATOM 0 HG LEU A 37 78.618 -2.702 39.446 1.00-10.00 H new ATOM 0 HD11 LEU A 37 78.787 -3.379 37.062 1.00-10.00 H new ATOM 0 HD12 LEU A 37 78.387 -1.651 37.209 1.00-10.00 H new ATOM 0 HD13 LEU A 37 80.047 -2.149 36.804 1.00-10.00 H new ATOM 0 HD21 LEU A 37 80.209 -4.487 38.785 1.00-10.00 H new ATOM 0 HD22 LEU A 37 81.475 -3.263 38.527 1.00-10.00 H new ATOM 0 HD23 LEU A 37 80.835 -3.550 40.162 1.00-10.00 H new ATOM 576 N GLU A 38 82.035 -0.369 41.701 1.00-10.00 N ATOM 577 CA GLU A 38 83.329 -0.695 42.392 1.00-10.00 C ATOM 578 C GLU A 38 83.072 -1.438 43.713 1.00-10.00 C ATOM 579 O GLU A 38 83.804 -2.347 44.063 1.00-10.00 O ATOM 580 CB GLU A 38 84.105 0.592 42.675 1.00-10.00 C ATOM 581 CG GLU A 38 85.609 0.290 42.643 1.00-10.00 C ATOM 582 CD GLU A 38 86.223 0.555 44.020 1.00-10.00 C ATOM 583 OE1 GLU A 38 86.560 1.697 44.287 1.00-10.00 O ATOM 584 OE2 GLU A 38 86.347 -0.389 44.782 1.00-10.00 O ATOM 0 H GLU A 38 81.953 0.593 41.372 1.00-10.00 H new ATOM 0 HA GLU A 38 83.913 -1.340 41.736 1.00-10.00 H new ATOM 0 HB2 GLU A 38 83.858 1.351 41.932 1.00-10.00 H new ATOM 0 HB3 GLU A 38 83.823 0.995 43.648 1.00-10.00 H new ATOM 0 HG2 GLU A 38 85.774 -0.748 42.355 1.00-10.00 H new ATOM 0 HG3 GLU A 38 86.098 0.911 41.892 1.00-10.00 H new ATOM 591 N LYS A 39 82.041 -1.067 44.441 1.00-10.00 N ATOM 592 CA LYS A 39 81.734 -1.760 45.734 1.00-10.00 C ATOM 593 C LYS A 39 81.599 -3.273 45.494 1.00-10.00 C ATOM 594 O LYS A 39 82.254 -4.069 46.139 1.00-10.00 O ATOM 595 CB LYS A 39 80.424 -1.207 46.309 1.00-10.00 C ATOM 596 CG LYS A 39 80.148 -1.835 47.679 1.00-10.00 C ATOM 597 CD LYS A 39 78.922 -2.751 47.588 1.00-10.00 C ATOM 598 CE LYS A 39 77.647 -1.926 47.783 1.00-10.00 C ATOM 599 NZ LYS A 39 76.469 -2.709 47.307 1.00-10.00 N ATOM 0 H LYS A 39 81.400 -0.313 44.194 1.00-10.00 H new ATOM 0 HA LYS A 39 82.544 -1.583 46.442 1.00-10.00 H new ATOM 0 HB2 LYS A 39 80.487 -0.123 46.403 1.00-10.00 H new ATOM 0 HB3 LYS A 39 79.600 -1.421 45.629 1.00-10.00 H new ATOM 0 HG2 LYS A 39 81.016 -2.405 48.011 1.00-10.00 H new ATOM 0 HG3 LYS A 39 79.977 -1.054 48.420 1.00-10.00 H new ATOM 0 HD2 LYS A 39 78.900 -3.250 46.619 1.00-10.00 H new ATOM 0 HD3 LYS A 39 78.982 -3.531 48.347 1.00-10.00 H new ATOM 0 HE2 LYS A 39 77.525 -1.669 48.835 1.00-10.00 H new ATOM 0 HE3 LYS A 39 77.720 -0.988 47.232 1.00-10.00 H new ATOM 0 HZ1 LYS A 39 75.693 -2.621 47.994 1.00-10.00 H new ATOM 0 HZ2 LYS A 39 76.158 -2.342 46.385 1.00-10.00 H new ATOM 0 HZ3 LYS A 39 76.734 -3.710 47.210 1.00-10.00 H new ATOM 613 N HIS A 40 80.757 -3.668 44.565 1.00-10.00 N ATOM 614 CA HIS A 40 80.576 -5.126 44.267 1.00-10.00 C ATOM 615 C HIS A 40 81.729 -5.624 43.381 1.00-10.00 C ATOM 616 O HIS A 40 82.203 -6.734 43.540 1.00-10.00 O ATOM 617 CB HIS A 40 79.242 -5.338 43.540 1.00-10.00 C ATOM 618 CG HIS A 40 78.123 -5.433 44.544 1.00-10.00 C ATOM 619 ND1 HIS A 40 76.813 -5.117 44.222 1.00-10.00 N ATOM 620 CD2 HIS A 40 78.101 -5.812 45.864 1.00-10.00 C ATOM 621 CE1 HIS A 40 76.065 -5.311 45.324 1.00-10.00 C ATOM 622 NE2 HIS A 40 76.802 -5.735 46.354 1.00-10.00 N ATOM 0 H HIS A 40 80.186 -3.040 43.999 1.00-10.00 H new ATOM 0 HA HIS A 40 80.575 -5.686 45.202 1.00-10.00 H new ATOM 0 HB2 HIS A 40 79.057 -4.513 42.853 1.00-10.00 H new ATOM 0 HB3 HIS A 40 79.284 -6.248 42.942 1.00-10.00 H new ATOM 0 HD2 HIS A 40 78.963 -6.123 46.435 1.00-10.00 H new ATOM 0 HE1 HIS A 40 74.999 -5.144 45.370 1.00-10.00 H new ATOM 0 HE2 HIS A 40 76.481 -5.955 47.297 1.00-10.00 H new ATOM 630 N GLY A 41 82.172 -4.809 42.448 1.00-10.00 N ATOM 631 CA GLY A 41 83.289 -5.211 41.534 1.00-10.00 C ATOM 632 C GLY A 41 84.553 -5.554 42.336 1.00-10.00 C ATOM 633 O GLY A 41 85.369 -6.344 41.896 1.00-10.00 O ATOM 0 H GLY A 41 81.802 -3.873 42.281 1.00-10.00 H new ATOM 0 HA2 GLY A 41 82.986 -6.072 40.939 1.00-10.00 H new ATOM 0 HA3 GLY A 41 83.504 -4.401 40.837 1.00-10.00 H new ATOM 637 N ALA A 42 84.727 -4.968 43.502 1.00-10.00 N ATOM 638 CA ALA A 42 85.941 -5.261 44.329 1.00-10.00 C ATOM 639 C ALA A 42 85.791 -6.638 45.007 1.00-10.00 C ATOM 640 O ALA A 42 85.799 -6.754 46.221 1.00-10.00 O ATOM 641 CB ALA A 42 86.107 -4.166 45.391 1.00-10.00 C ATOM 0 H ALA A 42 84.077 -4.299 43.915 1.00-10.00 H new ATOM 0 HA ALA A 42 86.823 -5.279 43.689 1.00-10.00 H new ATOM 0 HB1 ALA A 42 86.990 -4.376 45.995 1.00-10.00 H new ATOM 0 HB2 ALA A 42 86.224 -3.199 44.902 1.00-10.00 H new ATOM 0 HB3 ALA A 42 85.226 -4.144 46.032 1.00-10.00 H new ATOM 647 N ILE A 43 85.661 -7.680 44.218 1.00-10.00 N ATOM 648 CA ILE A 43 85.515 -9.061 44.776 1.00-10.00 C ATOM 649 C ILE A 43 86.228 -10.048 43.839 1.00-10.00 C ATOM 650 O ILE A 43 85.786 -10.290 42.729 1.00-10.00 O ATOM 651 CB ILE A 43 84.020 -9.418 44.880 1.00-10.00 C ATOM 652 CG1 ILE A 43 83.384 -8.652 46.051 1.00-10.00 C ATOM 653 CG2 ILE A 43 83.850 -10.927 45.107 1.00-10.00 C ATOM 654 CD1 ILE A 43 83.998 -9.112 47.378 1.00-10.00 C ATOM 0 H ILE A 43 85.650 -7.630 43.199 1.00-10.00 H new ATOM 0 HA ILE A 43 85.959 -9.114 45.770 1.00-10.00 H new ATOM 0 HB ILE A 43 83.527 -9.139 43.949 1.00-10.00 H new ATOM 0 HG12 ILE A 43 83.539 -7.581 45.922 1.00-10.00 H new ATOM 0 HG13 ILE A 43 82.307 -8.819 46.063 1.00-10.00 H new ATOM 0 HG21 ILE A 43 82.789 -11.167 45.179 1.00-10.00 H new ATOM 0 HG22 ILE A 43 84.290 -11.472 44.272 1.00-10.00 H new ATOM 0 HG23 ILE A 43 84.350 -11.214 46.032 1.00-10.00 H new ATOM 0 HD11 ILE A 43 83.540 -8.563 48.201 1.00-10.00 H new ATOM 0 HD12 ILE A 43 83.820 -10.179 47.511 1.00-10.00 H new ATOM 0 HD13 ILE A 43 85.071 -8.922 47.368 1.00-10.00 H new ATOM 666 N THR A 44 87.330 -10.611 44.276 1.00-10.00 N ATOM 667 CA THR A 44 88.079 -11.576 43.411 1.00-10.00 C ATOM 668 C THR A 44 88.106 -12.956 44.080 1.00-10.00 C ATOM 669 O THR A 44 88.819 -13.177 45.044 1.00-10.00 O ATOM 670 CB THR A 44 89.517 -11.077 43.197 1.00-10.00 C ATOM 671 OG1 THR A 44 89.493 -9.731 42.737 1.00-10.00 O ATOM 672 CG2 THR A 44 90.215 -11.952 42.155 1.00-10.00 C ATOM 0 H THR A 44 87.742 -10.444 45.194 1.00-10.00 H new ATOM 0 HA THR A 44 87.579 -11.653 42.445 1.00-10.00 H new ATOM 0 HB THR A 44 90.058 -11.131 44.142 1.00-10.00 H new ATOM 0 HG1 THR A 44 90.411 -9.415 42.603 1.00-10.00 H new ATOM 0 HG21 THR A 44 91.234 -11.596 42.005 1.00-10.00 H new ATOM 0 HG22 THR A 44 90.239 -12.984 42.504 1.00-10.00 H new ATOM 0 HG23 THR A 44 89.670 -11.900 41.212 1.00-10.00 H new ATOM 680 N SER A 45 87.334 -13.884 43.568 1.00-10.00 N ATOM 681 CA SER A 45 87.305 -15.259 44.154 1.00-10.00 C ATOM 682 C SER A 45 87.450 -16.285 43.023 1.00-10.00 C ATOM 683 O SER A 45 86.550 -16.472 42.223 1.00-10.00 O ATOM 684 CB SER A 45 85.979 -15.474 44.892 1.00-10.00 C ATOM 685 OG SER A 45 86.030 -16.704 45.607 1.00-10.00 O ATOM 0 H SER A 45 86.720 -13.746 42.765 1.00-10.00 H new ATOM 0 HA SER A 45 88.125 -15.380 44.861 1.00-10.00 H new ATOM 0 HB2 SER A 45 85.795 -14.648 45.579 1.00-10.00 H new ATOM 0 HB3 SER A 45 85.153 -15.488 44.181 1.00-10.00 H new ATOM 0 HG SER A 45 85.948 -16.528 46.568 1.00-10.00 H new ATOM 691 N SER A 46 88.586 -16.941 42.947 1.00-10.00 N ATOM 692 CA SER A 46 88.811 -17.952 41.867 1.00-10.00 C ATOM 693 C SER A 46 89.312 -19.263 42.484 1.00-10.00 C ATOM 694 O SER A 46 90.421 -19.341 42.985 1.00-10.00 O ATOM 695 CB SER A 46 89.852 -17.415 40.880 1.00-10.00 C ATOM 696 OG SER A 46 89.204 -16.599 39.913 1.00-10.00 O ATOM 0 H SER A 46 89.368 -16.818 43.590 1.00-10.00 H new ATOM 0 HA SER A 46 87.874 -18.139 41.342 1.00-10.00 H new ATOM 0 HB2 SER A 46 90.610 -16.838 41.411 1.00-10.00 H new ATOM 0 HB3 SER A 46 90.366 -18.242 40.390 1.00-10.00 H new ATOM 0 HG SER A 46 89.867 -16.252 39.280 1.00-10.00 H new ATOM 702 N ASN A 47 88.500 -20.293 42.447 1.00-10.00 N ATOM 703 CA ASN A 47 88.911 -21.610 43.023 1.00-10.00 C ATOM 704 C ASN A 47 88.986 -22.659 41.907 1.00-10.00 C ATOM 705 O ASN A 47 88.128 -22.720 41.044 1.00-10.00 O ATOM 706 CB ASN A 47 87.884 -22.052 44.071 1.00-10.00 C ATOM 707 CG ASN A 47 88.588 -22.834 45.183 1.00-10.00 C ATOM 708 OD1 ASN A 47 88.815 -22.313 46.256 1.00-10.00 O ATOM 709 ND2 ASN A 47 88.946 -24.072 44.973 1.00-10.00 N ATOM 0 H ASN A 47 87.565 -20.276 42.040 1.00-10.00 H new ATOM 0 HA ASN A 47 89.890 -21.510 43.492 1.00-10.00 H new ATOM 0 HB2 ASN A 47 87.378 -21.181 44.489 1.00-10.00 H new ATOM 0 HB3 ASN A 47 87.118 -22.672 43.605 1.00-10.00 H new ATOM 0 HD21 ASN A 47 89.415 -24.599 45.709 1.00-10.00 H new ATOM 0 HD22 ASN A 47 88.756 -24.512 44.073 1.00-10.00 H new ATOM 716 N THR A 48 90.003 -23.485 41.925 1.00-10.00 N ATOM 717 CA THR A 48 90.147 -24.541 40.873 1.00-10.00 C ATOM 718 C THR A 48 89.569 -25.864 41.393 1.00-10.00 C ATOM 719 O THR A 48 89.745 -26.214 42.548 1.00-10.00 O ATOM 720 CB THR A 48 91.632 -24.732 40.523 1.00-10.00 C ATOM 721 OG1 THR A 48 92.413 -24.728 41.713 1.00-10.00 O ATOM 722 CG2 THR A 48 92.092 -23.596 39.605 1.00-10.00 C ATOM 0 H THR A 48 90.744 -23.474 42.626 1.00-10.00 H new ATOM 0 HA THR A 48 89.605 -24.232 39.979 1.00-10.00 H new ATOM 0 HB THR A 48 91.760 -25.687 40.013 1.00-10.00 H new ATOM 0 HG1 THR A 48 93.358 -24.852 41.485 1.00-10.00 H new ATOM 0 HG21 THR A 48 93.145 -23.732 39.357 1.00-10.00 H new ATOM 0 HG22 THR A 48 91.500 -23.605 38.690 1.00-10.00 H new ATOM 0 HG23 THR A 48 91.959 -22.641 40.113 1.00-10.00 H new ATOM 730 N ALA A 49 88.880 -26.596 40.544 1.00-10.00 N ATOM 731 CA ALA A 49 88.274 -27.901 40.965 1.00-10.00 C ATOM 732 C ALA A 49 87.406 -27.691 42.228 1.00-10.00 C ATOM 733 O ALA A 49 86.569 -26.806 42.256 1.00-10.00 O ATOM 734 CB ALA A 49 89.400 -28.910 41.234 1.00-10.00 C ATOM 0 H ALA A 49 88.711 -26.342 39.571 1.00-10.00 H new ATOM 0 HA ALA A 49 87.633 -28.290 40.174 1.00-10.00 H new ATOM 0 HB1 ALA A 49 88.969 -29.863 41.541 1.00-10.00 H new ATOM 0 HB2 ALA A 49 89.986 -29.052 40.326 1.00-10.00 H new ATOM 0 HB3 ALA A 49 90.046 -28.532 42.026 1.00-10.00 H new ATOM 740 N ALA A 50 87.595 -28.488 43.266 1.00-10.00 N ATOM 741 CA ALA A 50 86.781 -28.330 44.519 1.00-10.00 C ATOM 742 C ALA A 50 85.273 -28.349 44.188 1.00-10.00 C ATOM 743 O ALA A 50 84.855 -28.934 43.203 1.00-10.00 O ATOM 744 CB ALA A 50 87.157 -27.004 45.193 1.00-10.00 C ATOM 0 H ALA A 50 88.281 -29.242 43.295 1.00-10.00 H new ATOM 0 HA ALA A 50 86.992 -29.159 45.195 1.00-10.00 H new ATOM 0 HB1 ALA A 50 86.571 -26.880 46.104 1.00-10.00 H new ATOM 0 HB2 ALA A 50 88.218 -27.010 45.442 1.00-10.00 H new ATOM 0 HB3 ALA A 50 86.949 -26.178 44.513 1.00-10.00 H new ATOM 750 N ASN A 51 84.456 -27.722 45.007 1.00-10.00 N ATOM 751 CA ASN A 51 82.980 -27.705 44.746 1.00-10.00 C ATOM 752 C ASN A 51 82.377 -26.371 45.215 1.00-10.00 C ATOM 753 O ASN A 51 83.019 -25.602 45.907 1.00-10.00 O ATOM 754 CB ASN A 51 82.312 -28.869 45.496 1.00-10.00 C ATOM 755 CG ASN A 51 82.443 -28.664 47.010 1.00-10.00 C ATOM 756 OD1 ASN A 51 81.539 -28.163 47.647 1.00-10.00 O ATOM 757 ND2 ASN A 51 83.536 -29.036 47.617 1.00-10.00 N ATOM 0 H ASN A 51 84.750 -27.221 45.846 1.00-10.00 H new ATOM 0 HA ASN A 51 82.805 -27.815 43.676 1.00-10.00 H new ATOM 0 HB2 ASN A 51 81.260 -28.934 45.220 1.00-10.00 H new ATOM 0 HB3 ASN A 51 82.776 -29.812 45.207 1.00-10.00 H new ATOM 0 HD21 ASN A 51 83.630 -28.906 48.624 1.00-10.00 H new ATOM 0 HD22 ASN A 51 84.297 -29.457 47.084 1.00-10.00 H new ATOM 764 N ASN A 52 81.139 -26.109 44.842 1.00-10.00 N ATOM 765 CA ASN A 52 80.442 -24.839 45.242 1.00-10.00 C ATOM 766 C ASN A 52 81.375 -23.625 45.075 1.00-10.00 C ATOM 767 O ASN A 52 82.030 -23.190 46.008 1.00-10.00 O ATOM 768 CB ASN A 52 79.982 -24.951 46.703 1.00-10.00 C ATOM 769 CG ASN A 52 78.934 -23.872 47.002 1.00-10.00 C ATOM 770 OD1 ASN A 52 79.094 -23.094 47.920 1.00-10.00 O ATOM 771 ND2 ASN A 52 77.860 -23.792 46.265 1.00-10.00 N ATOM 0 H ASN A 52 80.575 -26.735 44.267 1.00-10.00 H new ATOM 0 HA ASN A 52 79.577 -24.693 44.594 1.00-10.00 H new ATOM 0 HB2 ASN A 52 79.562 -25.940 46.887 1.00-10.00 H new ATOM 0 HB3 ASN A 52 80.835 -24.838 47.372 1.00-10.00 H new ATOM 0 HD21 ASN A 52 77.159 -23.078 46.461 1.00-10.00 H new ATOM 0 HD22 ASN A 52 77.722 -24.444 45.493 1.00-10.00 H new ATOM 778 N ALA A 53 81.424 -23.074 43.885 1.00-10.00 N ATOM 779 CA ALA A 53 82.297 -21.884 43.630 1.00-10.00 C ATOM 780 C ALA A 53 81.777 -20.671 44.418 1.00-10.00 C ATOM 781 O ALA A 53 80.672 -20.682 44.936 1.00-10.00 O ATOM 782 CB ALA A 53 82.292 -21.558 42.133 1.00-10.00 C ATOM 0 H ALA A 53 80.894 -23.399 43.076 1.00-10.00 H new ATOM 0 HA ALA A 53 83.313 -22.112 43.953 1.00-10.00 H new ATOM 0 HB1 ALA A 53 82.927 -20.692 41.947 1.00-10.00 H new ATOM 0 HB2 ALA A 53 82.671 -22.413 41.573 1.00-10.00 H new ATOM 0 HB3 ALA A 53 81.274 -21.337 41.812 1.00-10.00 H new ATOM 788 N ALA A 54 82.571 -19.625 44.504 1.00-10.00 N ATOM 789 CA ALA A 54 82.152 -18.395 45.255 1.00-10.00 C ATOM 790 C ALA A 54 81.827 -18.751 46.721 1.00-10.00 C ATOM 791 O ALA A 54 82.143 -19.832 47.188 1.00-10.00 O ATOM 792 CB ALA A 54 80.918 -17.785 44.575 1.00-10.00 C ATOM 0 H ALA A 54 83.498 -19.572 44.082 1.00-10.00 H new ATOM 0 HA ALA A 54 82.967 -17.671 45.248 1.00-10.00 H new ATOM 0 HB1 ALA A 54 80.609 -16.891 45.116 1.00-10.00 H new ATOM 0 HB2 ALA A 54 81.163 -17.520 43.547 1.00-10.00 H new ATOM 0 HB3 ALA A 54 80.105 -18.511 44.579 1.00-10.00 H new ATOM 798 N CYS A 55 81.209 -17.840 47.448 1.00-10.00 N ATOM 799 CA CYS A 55 80.863 -18.096 48.889 1.00-10.00 C ATOM 800 C CYS A 55 82.080 -18.678 49.639 1.00-10.00 C ATOM 801 O CYS A 55 81.944 -19.516 50.514 1.00-10.00 O ATOM 802 CB CYS A 55 79.684 -19.077 48.960 1.00-10.00 C ATOM 803 SG CYS A 55 78.442 -18.446 50.117 1.00-10.00 S ATOM 0 H CYS A 55 80.928 -16.923 47.100 1.00-10.00 H new ATOM 0 HA CYS A 55 80.584 -17.155 49.363 1.00-10.00 H new ATOM 0 HB2 CYS A 55 79.244 -19.205 47.971 1.00-10.00 H new ATOM 0 HB3 CYS A 55 80.032 -20.058 49.283 1.00-10.00 H new ATOM 0 HG CYS A 55 77.443 -19.275 50.176 1.00-10.00 H new ATOM 809 N ALA A 56 83.269 -18.228 49.299 1.00 0.00 N ATOM 810 CA ALA A 56 84.501 -18.738 49.977 1.00 0.00 C ATOM 811 C ALA A 56 85.669 -17.779 49.709 1.00 0.00 C ATOM 812 O ALA A 56 85.913 -17.388 48.579 1.00 0.00 O ATOM 813 CB ALA A 56 84.846 -20.130 49.435 1.00 0.00 C ATOM 0 H ALA A 56 83.436 -17.526 48.578 1.00 0.00 H new ATOM 0 HA ALA A 56 84.323 -18.801 51.051 1.00 0.00 H new ATOM 0 HB1 ALA A 56 85.744 -20.501 49.930 1.00 0.00 H new ATOM 0 HB2 ALA A 56 84.017 -20.811 49.628 1.00 0.00 H new ATOM 0 HB3 ALA A 56 85.022 -20.069 48.361 1.00 0.00 H new ATOM 819 N TRP A 57 86.390 -17.403 50.744 1.00 0.00 N ATOM 820 CA TRP A 57 87.553 -16.470 50.582 1.00 0.00 C ATOM 821 C TRP A 57 87.085 -15.160 49.921 1.00 0.00 C ATOM 822 O TRP A 57 87.517 -14.811 48.838 1.00 0.00 O ATOM 823 CB TRP A 57 88.637 -17.141 49.724 1.00 0.00 C ATOM 824 CG TRP A 57 89.148 -18.363 50.422 1.00 0.00 C ATOM 825 CD1 TRP A 57 88.969 -19.634 49.993 1.00 0.00 C ATOM 826 CD2 TRP A 57 89.913 -18.454 51.659 1.00 0.00 C ATOM 827 NE1 TRP A 57 89.575 -20.498 50.887 1.00 0.00 N ATOM 828 CE2 TRP A 57 90.170 -19.818 51.931 1.00 0.00 C ATOM 829 CE3 TRP A 57 90.404 -17.495 52.564 1.00 0.00 C ATOM 830 CZ2 TRP A 57 90.889 -20.218 53.058 1.00 0.00 C ATOM 831 CZ3 TRP A 57 91.127 -17.893 53.700 1.00 0.00 C ATOM 832 CH2 TRP A 57 91.369 -19.252 53.946 1.00 0.00 C ATOM 0 H TRP A 57 86.219 -17.707 51.703 1.00 0.00 H new ATOM 0 HA TRP A 57 87.970 -16.238 51.562 1.00 0.00 H new ATOM 0 HB2 TRP A 57 88.228 -17.411 48.750 1.00 0.00 H new ATOM 0 HB3 TRP A 57 89.455 -16.444 49.544 1.00 0.00 H new ATOM 0 HD1 TRP A 57 88.439 -19.926 49.098 1.00 0.00 H new ATOM 0 HE1 TRP A 57 89.582 -21.513 50.787 1.00 0.00 H new ATOM 0 HE3 TRP A 57 90.224 -16.446 52.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 91.073 -21.266 53.242 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 91.499 -17.148 54.388 1.00 0.00 H new ATOM 0 HH2 TRP A 57 91.926 -19.552 54.821 1.00 0.00 H new HETATM 843 N NH2 A 58 86.212 -14.411 50.536 1.00 0.00 N TER 846 NH2 A 58