USER MOD reduce.3.24.130724 H: found=0, std=0, add=543, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 541 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 39 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 42 SER OG : rot 96:sc= 0.457 USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 4 THR OG1 : rot -170:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.2) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.165 K(o=-0.16,f=-2.1!) USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 142:sc= 0.92 (180deg=0.219) USER MOD Single : A 17 THR OG1 : rot -64:sc= 0.405 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= 0.233 K(o=0.23,f=-6.5!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -1.12 K(o=-1.1,f=-2.1) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0857) USER MOD Single : A 40 LYS NZ :NH3+ 161:sc= -0.0247 (180deg=-0.25) USER MOD Single : A 50 ASN : amide:sc=-0.00172 K(o=-0.0017,f=-0.84) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0613 USER MOD Single : A 60 MET CE :methyl -159:sc= -0.0435 (180deg=-0.377) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 0.963 1.847 -1.447 1.00 54.12 N ATOM 2 CA PRO A 1 0.714 1.351 -0.090 1.00 62.14 C ATOM 3 C PRO A 1 -0.262 0.180 -0.071 1.00 74.11 C ATOM 4 O PRO A 1 -0.892 -0.098 0.949 1.00 35.23 O ATOM 5 CB PRO A 1 0.111 2.562 0.625 1.00 0.14 C ATOM 6 CG PRO A 1 -0.499 3.379 -0.461 1.00 1.01 C ATOM 7 CD PRO A 1 0.373 3.178 -1.669 1.00 50.05 C ATOM 0 H2 PRO A 1 0.578 1.189 -2.124 1.00 54.12 H new ATOM 0 H3 PRO A 1 1.969 1.891 -1.612 1.00 54.12 H new ATOM 0 HA PRO A 1 1.622 0.971 0.378 1.00 62.14 H new ATOM 0 HB2 PRO A 1 -0.636 2.257 1.358 1.00 0.14 H new ATOM 0 HB3 PRO A 1 0.874 3.125 1.163 1.00 0.14 H new ATOM 0 HG2 PRO A 1 -1.522 3.061 -0.661 1.00 1.01 H new ATOM 0 HG3 PRO A 1 -0.541 4.432 -0.181 1.00 1.01 H new ATOM 0 HD2 PRO A 1 -0.205 3.212 -2.592 1.00 50.05 H new ATOM 0 HD3 PRO A 1 1.139 3.950 -1.744 1.00 50.05 H new ATOM 15 N ARG A 2 -0.383 -0.503 -1.205 1.00 23.02 N ATOM 16 CA ARG A 2 -1.283 -1.644 -1.318 1.00 14.24 C ATOM 17 C ARG A 2 -0.504 -2.928 -1.588 1.00 1.55 C ATOM 18 O ARG A 2 -0.639 -3.912 -0.862 1.00 12.41 O ATOM 19 CB ARG A 2 -2.302 -1.408 -2.435 1.00 25.31 C ATOM 20 CG ARG A 2 -3.270 -0.273 -2.147 1.00 11.11 C ATOM 21 CD ARG A 2 -4.354 -0.182 -3.210 1.00 3.11 C ATOM 22 NE ARG A 2 -4.962 1.145 -3.259 1.00 71.22 N ATOM 23 CZ ARG A 2 -5.892 1.495 -4.141 1.00 32.53 C ATOM 24 NH1 ARG A 2 -6.319 0.620 -5.041 1.00 41.04 N ATOM 25 NH2 ARG A 2 -6.398 2.721 -4.122 1.00 41.11 N ATOM 0 H ARG A 2 0.131 -0.286 -2.059 1.00 23.02 H new ATOM 0 HA ARG A 2 -1.811 -1.753 -0.371 1.00 14.24 H new ATOM 0 HB2 ARG A 2 -1.769 -1.194 -3.362 1.00 25.31 H new ATOM 0 HB3 ARG A 2 -2.869 -2.325 -2.598 1.00 25.31 H new ATOM 0 HG2 ARG A 2 -3.729 -0.424 -1.170 1.00 11.11 H new ATOM 0 HG3 ARG A 2 -2.724 0.669 -2.101 1.00 11.11 H new ATOM 0 HD2 ARG A 2 -3.928 -0.422 -4.184 1.00 3.11 H new ATOM 0 HD3 ARG A 2 -5.124 -0.926 -3.007 1.00 3.11 H new ATOM 0 HE ARG A 2 -4.656 1.841 -2.579 1.00 71.22 H new ATOM 0 HH11 ARG A 2 -5.933 -0.324 -5.057 1.00 41.04 H new ATOM 0 HH12 ARG A 2 -7.033 0.891 -5.717 1.00 41.04 H new ATOM 0 HH21 ARG A 2 -6.073 3.396 -3.430 1.00 41.11 H new ATOM 0 HH22 ARG A 2 -7.112 2.989 -4.800 1.00 41.11 H new ATOM 39 N ASN A 3 0.312 -2.909 -2.637 1.00 12.13 N ATOM 40 CA ASN A 3 1.112 -4.072 -3.003 1.00 43.43 C ATOM 41 C ASN A 3 2.602 -3.758 -2.907 1.00 63.32 C ATOM 42 O ASN A 3 3.422 -4.367 -3.596 1.00 3.22 O ATOM 43 CB ASN A 3 0.766 -4.528 -4.422 1.00 21.31 C ATOM 44 CG ASN A 3 -0.701 -4.879 -4.574 1.00 73.34 C ATOM 45 OD1 ASN A 3 -1.251 -5.652 -3.789 1.00 70.03 O ATOM 46 ND2 ASN A 3 -1.343 -4.312 -5.589 1.00 1.40 N ATOM 0 H ASN A 3 0.437 -2.102 -3.248 1.00 12.13 H new ATOM 0 HA ASN A 3 0.882 -4.876 -2.304 1.00 43.43 H new ATOM 0 HB2 ASN A 3 1.023 -3.738 -5.128 1.00 21.31 H new ATOM 0 HB3 ASN A 3 1.373 -5.396 -4.680 1.00 21.31 H new ATOM 0 HD21 ASN A 3 -2.332 -4.511 -5.742 1.00 1.40 H new ATOM 0 HD22 ASN A 3 -0.848 -3.677 -6.215 1.00 1.40 H new ATOM 53 N THR A 4 2.947 -2.805 -2.047 1.00 51.34 N ATOM 54 CA THR A 4 4.337 -2.410 -1.861 1.00 3.31 C ATOM 55 C THR A 4 5.097 -3.444 -1.039 1.00 22.25 C ATOM 56 O THR A 4 6.250 -3.760 -1.333 1.00 41.01 O ATOM 57 CB THR A 4 4.444 -1.039 -1.166 1.00 34.22 C ATOM 58 OG1 THR A 4 3.410 -0.169 -1.639 1.00 13.45 O ATOM 59 CG2 THR A 4 5.803 -0.406 -1.422 1.00 60.42 C ATOM 0 H THR A 4 2.282 -2.292 -1.468 1.00 51.34 H new ATOM 0 HA THR A 4 4.781 -2.341 -2.854 1.00 3.31 H new ATOM 0 HB THR A 4 4.329 -1.191 -0.093 1.00 34.22 H new ATOM 0 HG1 THR A 4 3.576 0.742 -1.317 1.00 13.45 H new ATOM 0 HG21 THR A 4 5.854 0.561 -0.921 1.00 60.42 H new ATOM 0 HG22 THR A 4 6.587 -1.057 -1.035 1.00 60.42 H new ATOM 0 HG23 THR A 4 5.944 -0.267 -2.494 1.00 60.42 H new ATOM 67 N ARG A 5 4.444 -3.969 -0.007 1.00 20.00 N ATOM 68 CA ARG A 5 5.059 -4.968 0.858 1.00 21.24 C ATOM 69 C ARG A 5 5.604 -6.135 0.040 1.00 72.11 C ATOM 70 O ARG A 5 6.696 -6.636 0.307 1.00 75.12 O ATOM 71 CB ARG A 5 4.045 -5.480 1.883 1.00 3.45 C ATOM 72 CG ARG A 5 2.734 -5.939 1.267 1.00 65.55 C ATOM 73 CD ARG A 5 1.735 -6.361 2.332 1.00 12.11 C ATOM 74 NE ARG A 5 1.478 -5.293 3.295 1.00 50.04 N ATOM 75 CZ ARG A 5 0.666 -5.424 4.338 1.00 3.41 C ATOM 76 NH1 ARG A 5 0.036 -6.570 4.553 1.00 64.33 N ATOM 77 NH2 ARG A 5 0.484 -4.406 5.170 1.00 51.23 N ATOM 0 H ARG A 5 3.489 -3.719 0.250 1.00 20.00 H new ATOM 0 HA ARG A 5 5.889 -4.495 1.383 1.00 21.24 H new ATOM 0 HB2 ARG A 5 4.487 -6.309 2.435 1.00 3.45 H new ATOM 0 HB3 ARG A 5 3.840 -4.689 2.605 1.00 3.45 H new ATOM 0 HG2 ARG A 5 2.310 -5.133 0.668 1.00 65.55 H new ATOM 0 HG3 ARG A 5 2.921 -6.773 0.591 1.00 65.55 H new ATOM 0 HD2 ARG A 5 0.799 -6.653 1.856 1.00 12.11 H new ATOM 0 HD3 ARG A 5 2.113 -7.239 2.856 1.00 12.11 H new ATOM 0 HE ARG A 5 1.948 -4.398 3.159 1.00 50.04 H new ATOM 0 HH11 ARG A 5 0.174 -7.355 3.917 1.00 64.33 H new ATOM 0 HH12 ARG A 5 -0.587 -6.667 5.355 1.00 64.33 H new ATOM 0 HH21 ARG A 5 0.968 -3.523 5.009 1.00 51.23 H new ATOM 0 HH22 ARG A 5 -0.140 -4.507 5.971 1.00 51.23 H new ATOM 91 N GLU A 6 4.835 -6.562 -0.957 1.00 32.22 N ATOM 92 CA GLU A 6 5.240 -7.671 -1.813 1.00 4.13 C ATOM 93 C GLU A 6 5.587 -8.902 -0.980 1.00 72.25 C ATOM 94 O GLU A 6 6.610 -9.549 -1.204 1.00 42.22 O ATOM 95 CB GLU A 6 6.441 -7.268 -2.672 1.00 32.32 C ATOM 96 CG GLU A 6 6.517 -8.009 -3.996 1.00 62.13 C ATOM 97 CD GLU A 6 5.645 -7.382 -5.067 1.00 20.04 C ATOM 98 OE1 GLU A 6 5.392 -8.050 -6.091 1.00 42.23 O ATOM 99 OE2 GLU A 6 5.216 -6.224 -4.880 1.00 32.40 O ATOM 0 H GLU A 6 3.929 -6.157 -1.192 1.00 32.22 H new ATOM 0 HA GLU A 6 4.402 -7.919 -2.465 1.00 4.13 H new ATOM 0 HB2 GLU A 6 6.395 -6.197 -2.867 1.00 32.32 H new ATOM 0 HB3 GLU A 6 7.357 -7.450 -2.110 1.00 32.32 H new ATOM 0 HG2 GLU A 6 7.551 -8.027 -4.339 1.00 62.13 H new ATOM 0 HG3 GLU A 6 6.213 -9.045 -3.846 1.00 62.13 H new ATOM 106 N VAL A 7 4.726 -9.220 -0.018 1.00 63.24 N ATOM 107 CA VAL A 7 4.940 -10.374 0.848 1.00 52.54 C ATOM 108 C VAL A 7 5.237 -11.626 0.031 1.00 20.32 C ATOM 109 O VAL A 7 5.973 -12.509 0.474 1.00 51.43 O ATOM 110 CB VAL A 7 3.715 -10.637 1.744 1.00 41.22 C ATOM 111 CG1 VAL A 7 3.634 -9.601 2.855 1.00 54.13 C ATOM 112 CG2 VAL A 7 2.440 -10.643 0.914 1.00 11.44 C ATOM 0 H VAL A 7 3.874 -8.695 0.181 1.00 63.24 H new ATOM 0 HA VAL A 7 5.799 -10.143 1.478 1.00 52.54 H new ATOM 0 HB VAL A 7 3.826 -11.619 2.204 1.00 41.22 H new ATOM 0 HG11 VAL A 7 2.762 -9.803 3.478 1.00 54.13 H new ATOM 0 HG12 VAL A 7 4.536 -9.651 3.465 1.00 54.13 H new ATOM 0 HG13 VAL A 7 3.546 -8.606 2.419 1.00 54.13 H new ATOM 0 HG21 VAL A 7 1.584 -10.830 1.563 1.00 11.44 H new ATOM 0 HG22 VAL A 7 2.320 -9.676 0.425 1.00 11.44 H new ATOM 0 HG23 VAL A 7 2.501 -11.427 0.159 1.00 11.44 H new ATOM 122 N PHE A 8 4.660 -11.698 -1.164 1.00 3.31 N ATOM 123 CA PHE A 8 4.863 -12.843 -2.043 1.00 72.13 C ATOM 124 C PHE A 8 6.346 -13.047 -2.338 1.00 21.45 C ATOM 125 O PHE A 8 6.842 -14.174 -2.331 1.00 12.33 O ATOM 126 CB PHE A 8 4.094 -12.651 -3.352 1.00 15.31 C ATOM 127 CG PHE A 8 4.086 -13.871 -4.228 1.00 14.04 C ATOM 128 CD1 PHE A 8 5.137 -14.126 -5.093 1.00 24.04 C ATOM 129 CD2 PHE A 8 3.026 -14.763 -4.186 1.00 51.31 C ATOM 130 CE1 PHE A 8 5.133 -15.248 -5.900 1.00 24.24 C ATOM 131 CE2 PHE A 8 3.017 -15.887 -4.990 1.00 54.33 C ATOM 132 CZ PHE A 8 4.071 -16.129 -5.849 1.00 30.10 C ATOM 0 H PHE A 8 4.048 -10.977 -1.546 1.00 3.31 H new ATOM 0 HA PHE A 8 4.486 -13.730 -1.534 1.00 72.13 H new ATOM 0 HB2 PHE A 8 3.066 -12.372 -3.122 1.00 15.31 H new ATOM 0 HB3 PHE A 8 4.534 -11.820 -3.904 1.00 15.31 H new ATOM 0 HD1 PHE A 8 5.970 -13.440 -5.138 1.00 24.04 H new ATOM 0 HD2 PHE A 8 2.198 -14.578 -3.518 1.00 51.31 H new ATOM 0 HE1 PHE A 8 5.959 -15.435 -6.570 1.00 24.24 H new ATOM 0 HE2 PHE A 8 2.186 -16.576 -4.947 1.00 54.33 H new ATOM 0 HZ PHE A 8 4.065 -17.006 -6.480 1.00 30.10 H new ATOM 142 N ALA A 9 7.048 -11.949 -2.596 1.00 65.23 N ATOM 143 CA ALA A 9 8.475 -12.007 -2.892 1.00 13.44 C ATOM 144 C ALA A 9 9.285 -12.290 -1.631 1.00 43.14 C ATOM 145 O ALA A 9 10.361 -12.883 -1.696 1.00 25.32 O ATOM 146 CB ALA A 9 8.933 -10.706 -3.535 1.00 61.31 C ATOM 0 H ALA A 9 6.653 -11.009 -2.606 1.00 65.23 H new ATOM 0 HA ALA A 9 8.644 -12.825 -3.592 1.00 13.44 H new ATOM 0 HB1 ALA A 9 10.000 -10.763 -3.751 1.00 61.31 H new ATOM 0 HB2 ALA A 9 8.383 -10.545 -4.462 1.00 61.31 H new ATOM 0 HB3 ALA A 9 8.744 -9.877 -2.853 1.00 61.31 H new ATOM 152 N GLN A 10 8.761 -11.861 -0.488 1.00 25.24 N ATOM 153 CA GLN A 10 9.439 -12.068 0.787 1.00 35.31 C ATOM 154 C GLN A 10 9.594 -13.556 1.085 1.00 3.25 C ATOM 155 O GLN A 10 10.524 -13.966 1.780 1.00 64.33 O ATOM 156 CB GLN A 10 8.663 -11.388 1.917 1.00 44.12 C ATOM 157 CG GLN A 10 8.598 -9.875 1.784 1.00 11.14 C ATOM 158 CD GLN A 10 9.957 -9.252 1.531 1.00 55.02 C ATOM 159 OE1 GLN A 10 10.738 -9.041 2.458 1.00 4.23 O ATOM 160 NE2 GLN A 10 10.245 -8.954 0.269 1.00 23.04 N ATOM 0 H GLN A 10 7.870 -11.369 -0.418 1.00 25.24 H new ATOM 0 HA GLN A 10 10.432 -11.624 0.719 1.00 35.31 H new ATOM 0 HB2 GLN A 10 7.649 -11.786 1.941 1.00 44.12 H new ATOM 0 HB3 GLN A 10 9.128 -11.641 2.870 1.00 44.12 H new ATOM 0 HG2 GLN A 10 7.925 -9.615 0.967 1.00 11.14 H new ATOM 0 HG3 GLN A 10 8.172 -9.452 2.694 1.00 11.14 H new ATOM 0 HE21 GLN A 10 9.567 -9.147 -0.468 1.00 23.04 H new ATOM 0 HE22 GLN A 10 11.144 -8.533 0.037 1.00 23.04 H new ATOM 169 N VAL A 11 8.677 -14.360 0.557 1.00 41.35 N ATOM 170 CA VAL A 11 8.713 -15.802 0.765 1.00 31.25 C ATOM 171 C VAL A 11 9.938 -16.423 0.104 1.00 71.13 C ATOM 172 O VAL A 11 10.535 -17.361 0.632 1.00 32.24 O ATOM 173 CB VAL A 11 7.445 -16.481 0.213 1.00 3.13 C ATOM 174 CG1 VAL A 11 7.492 -17.981 0.460 1.00 31.04 C ATOM 175 CG2 VAL A 11 6.200 -15.868 0.835 1.00 35.22 C ATOM 0 H VAL A 11 7.899 -14.037 -0.018 1.00 41.35 H new ATOM 0 HA VAL A 11 8.764 -15.965 1.842 1.00 31.25 H new ATOM 0 HB VAL A 11 7.404 -16.316 -0.864 1.00 3.13 H new ATOM 0 HG11 VAL A 11 6.588 -18.444 0.063 1.00 31.04 H new ATOM 0 HG12 VAL A 11 8.365 -18.404 -0.037 1.00 31.04 H new ATOM 0 HG13 VAL A 11 7.557 -18.171 1.531 1.00 31.04 H new ATOM 0 HG21 VAL A 11 5.313 -16.359 0.434 1.00 35.22 H new ATOM 0 HG22 VAL A 11 6.231 -16.001 1.916 1.00 35.22 H new ATOM 0 HG23 VAL A 11 6.162 -14.804 0.601 1.00 35.22 H new ATOM 185 N LYS A 12 10.309 -15.893 -1.057 1.00 31.30 N ATOM 186 CA LYS A 12 11.464 -16.393 -1.792 1.00 65.23 C ATOM 187 C LYS A 12 12.764 -15.922 -1.148 1.00 45.15 C ATOM 188 O LYS A 12 13.771 -16.630 -1.172 1.00 33.04 O ATOM 189 CB LYS A 12 11.407 -15.929 -3.250 1.00 22.35 C ATOM 190 CG LYS A 12 12.294 -16.738 -4.180 1.00 41.15 C ATOM 191 CD LYS A 12 11.609 -18.017 -4.632 1.00 2.02 C ATOM 192 CE LYS A 12 12.620 -19.069 -5.062 1.00 2.22 C ATOM 193 NZ LYS A 12 11.973 -20.382 -5.332 1.00 61.43 N ATOM 0 H LYS A 12 9.826 -15.117 -1.509 1.00 31.30 H new ATOM 0 HA LYS A 12 11.438 -17.482 -1.763 1.00 65.23 H new ATOM 0 HB2 LYS A 12 10.377 -15.988 -3.601 1.00 22.35 H new ATOM 0 HB3 LYS A 12 11.702 -14.881 -3.301 1.00 22.35 H new ATOM 0 HG2 LYS A 12 12.554 -16.136 -5.051 1.00 41.15 H new ATOM 0 HG3 LYS A 12 13.227 -16.984 -3.672 1.00 41.15 H new ATOM 0 HD2 LYS A 12 10.997 -18.410 -3.820 1.00 2.02 H new ATOM 0 HD3 LYS A 12 10.936 -17.797 -5.461 1.00 2.02 H new ATOM 0 HE2 LYS A 12 13.139 -18.729 -5.958 1.00 2.22 H new ATOM 0 HE3 LYS A 12 13.373 -19.189 -4.283 1.00 2.22 H new ATOM 0 HZ1 LYS A 12 12.695 -21.072 -5.622 1.00 61.43 H new ATOM 0 HZ2 LYS A 12 11.499 -20.719 -4.470 1.00 61.43 H new ATOM 0 HZ3 LYS A 12 11.272 -20.274 -6.093 1.00 61.43 H new ATOM 207 N GLN A 13 12.735 -14.724 -0.574 1.00 53.30 N ATOM 208 CA GLN A 13 13.911 -14.160 0.077 1.00 43.43 C ATOM 209 C GLN A 13 14.457 -15.112 1.135 1.00 21.14 C ATOM 210 O GLN A 13 15.667 -15.199 1.341 1.00 63.43 O ATOM 211 CB GLN A 13 13.571 -12.811 0.714 1.00 74.23 C ATOM 212 CG GLN A 13 13.276 -11.717 -0.299 1.00 53.14 C ATOM 213 CD GLN A 13 14.519 -10.954 -0.713 1.00 13.01 C ATOM 214 OE1 GLN A 13 15.528 -10.960 -0.008 1.00 23.50 O ATOM 215 NE2 GLN A 13 14.452 -10.291 -1.861 1.00 50.24 N ATOM 0 H GLN A 13 11.910 -14.125 -0.547 1.00 53.30 H new ATOM 0 HA GLN A 13 14.679 -14.012 -0.683 1.00 43.43 H new ATOM 0 HB2 GLN A 13 12.706 -12.934 1.366 1.00 74.23 H new ATOM 0 HB3 GLN A 13 14.403 -12.496 1.344 1.00 74.23 H new ATOM 0 HG2 GLN A 13 12.815 -12.160 -1.182 1.00 53.14 H new ATOM 0 HG3 GLN A 13 12.551 -11.021 0.124 1.00 53.14 H new ATOM 0 HE21 GLN A 13 13.595 -10.314 -2.414 1.00 50.24 H new ATOM 0 HE22 GLN A 13 15.257 -9.759 -2.190 1.00 50.24 H new ATOM 224 N MET A 14 13.556 -15.824 1.805 1.00 42.31 N ATOM 225 CA MET A 14 13.948 -16.771 2.842 1.00 4.32 C ATOM 226 C MET A 14 14.173 -18.160 2.253 1.00 5.34 C ATOM 227 O MET A 14 13.455 -19.106 2.578 1.00 43.31 O ATOM 228 CB MET A 14 12.880 -16.834 3.935 1.00 33.31 C ATOM 229 CG MET A 14 12.935 -15.668 4.908 1.00 41.41 C ATOM 230 SD MET A 14 11.900 -15.926 6.362 1.00 41.44 S ATOM 231 CE MET A 14 11.625 -14.235 6.886 1.00 62.21 C ATOM 0 H MET A 14 12.550 -15.763 1.648 1.00 42.31 H new ATOM 0 HA MET A 14 14.885 -16.426 3.279 1.00 4.32 H new ATOM 0 HB2 MET A 14 11.895 -16.860 3.468 1.00 33.31 H new ATOM 0 HB3 MET A 14 12.995 -17.765 4.490 1.00 33.31 H new ATOM 0 HG2 MET A 14 13.966 -15.512 5.224 1.00 41.41 H new ATOM 0 HG3 MET A 14 12.617 -14.759 4.398 1.00 41.41 H new ATOM 0 HE1 MET A 14 10.999 -14.228 7.778 1.00 62.21 H new ATOM 0 HE2 MET A 14 12.582 -13.763 7.110 1.00 62.21 H new ATOM 0 HE3 MET A 14 11.127 -13.684 6.089 1.00 62.21 H new ATOM 241 N TYR A 15 15.174 -18.275 1.387 1.00 54.01 N ATOM 242 CA TYR A 15 15.491 -19.548 0.751 1.00 70.11 C ATOM 243 C TYR A 15 16.966 -19.893 0.929 1.00 23.32 C ATOM 244 O TYR A 15 17.563 -20.572 0.093 1.00 44.40 O ATOM 245 CB TYR A 15 15.143 -19.499 -0.738 1.00 25.01 C ATOM 246 CG TYR A 15 14.892 -20.860 -1.346 1.00 70.21 C ATOM 247 CD1 TYR A 15 15.632 -21.303 -2.435 1.00 61.45 C ATOM 248 CD2 TYR A 15 13.914 -21.703 -0.833 1.00 11.35 C ATOM 249 CE1 TYR A 15 15.406 -22.546 -2.995 1.00 55.01 C ATOM 250 CE2 TYR A 15 13.681 -22.947 -1.385 1.00 24.43 C ATOM 251 CZ TYR A 15 14.430 -23.364 -2.466 1.00 35.41 C ATOM 252 OH TYR A 15 14.200 -24.603 -3.020 1.00 20.03 O ATOM 0 H TYR A 15 15.779 -17.502 1.110 1.00 54.01 H new ATOM 0 HA TYR A 15 14.894 -20.324 1.231 1.00 70.11 H new ATOM 0 HB2 TYR A 15 14.256 -18.880 -0.875 1.00 25.01 H new ATOM 0 HB3 TYR A 15 15.957 -19.014 -1.277 1.00 25.01 H new ATOM 0 HD1 TYR A 15 16.397 -20.665 -2.851 1.00 61.45 H new ATOM 0 HD2 TYR A 15 13.325 -21.379 0.013 1.00 11.35 H new ATOM 0 HE1 TYR A 15 15.990 -22.875 -3.842 1.00 55.01 H new ATOM 0 HE2 TYR A 15 12.917 -23.590 -0.973 1.00 24.43 H new ATOM 0 HH TYR A 15 13.481 -25.052 -2.529 1.00 20.03 H new ATOM 262 N LYS A 16 17.549 -19.422 2.026 1.00 1.41 N ATOM 263 CA LYS A 16 18.954 -19.680 2.318 1.00 20.23 C ATOM 264 C LYS A 16 19.225 -21.179 2.405 1.00 51.25 C ATOM 265 O LYS A 16 19.180 -21.768 3.485 1.00 3.43 O ATOM 266 CB LYS A 16 19.357 -19.002 3.630 1.00 73.12 C ATOM 267 CG LYS A 16 19.831 -17.570 3.453 1.00 14.25 C ATOM 268 CD LYS A 16 18.701 -16.661 3.000 1.00 51.44 C ATOM 269 CE LYS A 16 19.049 -15.194 3.204 1.00 64.21 C ATOM 270 NZ LYS A 16 18.209 -14.301 2.358 1.00 23.45 N ATOM 0 H LYS A 16 17.069 -18.859 2.728 1.00 1.41 H new ATOM 0 HA LYS A 16 19.550 -19.267 1.504 1.00 20.23 H new ATOM 0 HB2 LYS A 16 18.506 -19.013 4.311 1.00 73.12 H new ATOM 0 HB3 LYS A 16 20.150 -19.583 4.101 1.00 73.12 H new ATOM 0 HG2 LYS A 16 20.240 -17.202 4.394 1.00 14.25 H new ATOM 0 HG3 LYS A 16 20.638 -17.541 2.721 1.00 14.25 H new ATOM 0 HD2 LYS A 16 18.487 -16.842 1.947 1.00 51.44 H new ATOM 0 HD3 LYS A 16 17.794 -16.902 3.555 1.00 51.44 H new ATOM 0 HE2 LYS A 16 18.915 -14.932 4.253 1.00 64.21 H new ATOM 0 HE3 LYS A 16 20.101 -15.034 2.967 1.00 64.21 H new ATOM 0 HZ1 LYS A 16 17.970 -13.441 2.892 1.00 23.45 H new ATOM 0 HZ2 LYS A 16 18.735 -14.041 1.499 1.00 23.45 H new ATOM 0 HZ3 LYS A 16 17.335 -14.797 2.092 1.00 23.45 H new ATOM 284 N THR A 17 19.508 -21.792 1.259 1.00 14.40 N ATOM 285 CA THR A 17 19.786 -23.221 1.205 1.00 21.14 C ATOM 286 C THR A 17 20.928 -23.523 0.242 1.00 3.10 C ATOM 287 O THR A 17 20.884 -24.480 -0.531 1.00 71.01 O ATOM 288 CB THR A 17 18.542 -24.020 0.775 1.00 74.14 C ATOM 289 OG1 THR A 17 18.018 -23.490 -0.448 1.00 12.31 O ATOM 290 CG2 THR A 17 17.470 -23.975 1.853 1.00 32.42 C ATOM 0 H THR A 17 19.550 -21.320 0.356 1.00 14.40 H new ATOM 0 HA THR A 17 20.073 -23.525 2.212 1.00 21.14 H new ATOM 0 HB THR A 17 18.839 -25.058 0.623 1.00 74.14 H new ATOM 0 HG1 THR A 17 17.710 -22.571 -0.301 1.00 12.31 H new ATOM 0 HG21 THR A 17 16.601 -24.546 1.526 1.00 32.42 H new ATOM 0 HG22 THR A 17 17.862 -24.406 2.774 1.00 32.42 H new ATOM 0 HG23 THR A 17 17.177 -22.940 2.032 1.00 32.42 H new ATOM 298 N PRO A 18 21.978 -22.689 0.288 1.00 71.04 N ATOM 299 CA PRO A 18 23.153 -22.848 -0.574 1.00 50.43 C ATOM 300 C PRO A 18 23.984 -24.071 -0.202 1.00 51.13 C ATOM 301 O PRO A 18 24.938 -23.975 0.571 1.00 72.31 O ATOM 302 CB PRO A 18 23.950 -21.564 -0.327 1.00 60.41 C ATOM 303 CG PRO A 18 23.538 -21.118 1.033 1.00 33.52 C ATOM 304 CD PRO A 18 22.099 -21.527 1.185 1.00 74.45 C ATOM 0 HA PRO A 18 22.876 -23.000 -1.617 1.00 50.43 H new ATOM 0 HB2 PRO A 18 25.023 -21.749 -0.375 1.00 60.41 H new ATOM 0 HB3 PRO A 18 23.723 -20.807 -1.078 1.00 60.41 H new ATOM 0 HG2 PRO A 18 24.158 -21.581 1.800 1.00 33.52 H new ATOM 0 HG3 PRO A 18 23.650 -20.039 1.141 1.00 33.52 H new ATOM 0 HD2 PRO A 18 21.863 -21.789 2.216 1.00 74.45 H new ATOM 0 HD3 PRO A 18 21.420 -20.724 0.896 1.00 74.45 H new ATOM 312 N THR A 19 23.617 -25.222 -0.758 1.00 14.43 N ATOM 313 CA THR A 19 24.328 -26.464 -0.484 1.00 14.13 C ATOM 314 C THR A 19 24.239 -27.421 -1.667 1.00 53.30 C ATOM 315 O THR A 19 23.159 -27.909 -2.004 1.00 42.34 O ATOM 316 CB THR A 19 23.772 -27.164 0.771 1.00 62.01 C ATOM 317 OG1 THR A 19 22.358 -26.958 0.862 1.00 41.43 O ATOM 318 CG2 THR A 19 24.448 -26.638 2.028 1.00 23.11 C ATOM 0 H THR A 19 22.831 -25.319 -1.401 1.00 14.43 H new ATOM 0 HA THR A 19 25.371 -26.200 -0.312 1.00 14.13 H new ATOM 0 HB THR A 19 23.978 -28.231 0.686 1.00 62.01 H new ATOM 0 HG1 THR A 19 22.013 -27.407 1.661 1.00 41.43 H new ATOM 0 HG21 THR A 19 24.039 -27.147 2.901 1.00 23.11 H new ATOM 0 HG22 THR A 19 25.521 -26.823 1.969 1.00 23.11 H new ATOM 0 HG23 THR A 19 24.269 -25.566 2.116 1.00 23.11 H new ATOM 326 N LEU A 20 25.379 -27.686 -2.294 1.00 24.20 N ATOM 327 CA LEU A 20 25.431 -28.587 -3.441 1.00 14.44 C ATOM 328 C LEU A 20 26.206 -29.856 -3.102 1.00 51.21 C ATOM 329 O LEU A 20 27.382 -29.801 -2.742 1.00 41.24 O ATOM 330 CB LEU A 20 26.076 -27.885 -4.637 1.00 0.23 C ATOM 331 CG LEU A 20 25.127 -27.113 -5.554 1.00 61.03 C ATOM 332 CD1 LEU A 20 24.117 -28.055 -6.191 1.00 51.31 C ATOM 333 CD2 LEU A 20 24.418 -26.010 -4.782 1.00 71.11 C ATOM 0 H LEU A 20 26.281 -27.290 -2.028 1.00 24.20 H new ATOM 0 HA LEU A 20 24.409 -28.866 -3.699 1.00 14.44 H new ATOM 0 HB2 LEU A 20 26.831 -27.193 -4.263 1.00 0.23 H new ATOM 0 HB3 LEU A 20 26.597 -28.633 -5.234 1.00 0.23 H new ATOM 0 HG LEU A 20 25.715 -26.652 -6.348 1.00 61.03 H new ATOM 0 HD11 LEU A 20 23.450 -27.488 -6.840 1.00 51.31 H new ATOM 0 HD12 LEU A 20 24.642 -28.808 -6.779 1.00 51.31 H new ATOM 0 HD13 LEU A 20 23.534 -28.545 -5.411 1.00 51.31 H new ATOM 0 HD21 LEU A 20 23.747 -25.471 -5.451 1.00 71.11 H new ATOM 0 HD22 LEU A 20 23.843 -26.449 -3.967 1.00 71.11 H new ATOM 0 HD23 LEU A 20 25.156 -25.319 -4.375 1.00 71.11 H new ATOM 345 N LYS A 21 25.540 -30.999 -3.222 1.00 31.34 N ATOM 346 CA LYS A 21 26.166 -32.284 -2.932 1.00 40.11 C ATOM 347 C LYS A 21 27.295 -32.573 -3.916 1.00 41.11 C ATOM 348 O LYS A 21 28.244 -33.289 -3.594 1.00 53.15 O ATOM 349 CB LYS A 21 25.126 -33.406 -2.989 1.00 5.54 C ATOM 350 CG LYS A 21 24.217 -33.453 -1.773 1.00 74.33 C ATOM 351 CD LYS A 21 24.980 -33.848 -0.520 1.00 61.02 C ATOM 352 CE LYS A 21 24.060 -33.941 0.687 1.00 33.21 C ATOM 353 NZ LYS A 21 23.803 -32.605 1.293 1.00 32.41 N ATOM 0 H LYS A 21 24.566 -31.062 -3.518 1.00 31.34 H new ATOM 0 HA LYS A 21 26.586 -32.237 -1.927 1.00 40.11 H new ATOM 0 HB2 LYS A 21 24.516 -33.280 -3.884 1.00 5.54 H new ATOM 0 HB3 LYS A 21 25.640 -34.362 -3.086 1.00 5.54 H new ATOM 0 HG2 LYS A 21 23.755 -32.477 -1.626 1.00 74.33 H new ATOM 0 HG3 LYS A 21 23.410 -34.165 -1.948 1.00 74.33 H new ATOM 0 HD2 LYS A 21 25.471 -34.808 -0.679 1.00 61.02 H new ATOM 0 HD3 LYS A 21 25.765 -33.117 -0.325 1.00 61.02 H new ATOM 0 HE2 LYS A 21 23.114 -34.392 0.388 1.00 33.21 H new ATOM 0 HE3 LYS A 21 24.506 -34.599 1.433 1.00 33.21 H new ATOM 0 HZ1 LYS A 21 23.172 -32.711 2.113 1.00 32.41 H new ATOM 0 HZ2 LYS A 21 24.703 -32.185 1.601 1.00 32.41 H new ATOM 0 HZ3 LYS A 21 23.354 -31.985 0.589 1.00 32.41 H new ATOM 367 N TYR A 22 27.187 -32.011 -5.115 1.00 2.22 N ATOM 368 CA TYR A 22 28.199 -32.209 -6.146 1.00 31.12 C ATOM 369 C TYR A 22 29.590 -31.873 -5.616 1.00 73.41 C ATOM 370 O TYR A 22 30.582 -32.483 -6.014 1.00 64.41 O ATOM 371 CB TYR A 22 27.885 -31.347 -7.370 1.00 25.20 C ATOM 372 CG TYR A 22 26.789 -31.913 -8.244 1.00 50.20 C ATOM 373 CD1 TYR A 22 27.090 -32.715 -9.338 1.00 41.32 C ATOM 374 CD2 TYR A 22 25.452 -31.645 -7.977 1.00 2.34 C ATOM 375 CE1 TYR A 22 26.092 -33.233 -10.140 1.00 73.11 C ATOM 376 CE2 TYR A 22 24.447 -32.160 -8.772 1.00 63.11 C ATOM 377 CZ TYR A 22 24.772 -32.953 -9.853 1.00 20.43 C ATOM 378 OH TYR A 22 23.774 -33.467 -10.648 1.00 70.54 O ATOM 0 H TYR A 22 26.409 -31.415 -5.397 1.00 2.22 H new ATOM 0 HA TYR A 22 28.185 -33.260 -6.436 1.00 31.12 H new ATOM 0 HB2 TYR A 22 27.595 -30.350 -7.037 1.00 25.20 H new ATOM 0 HB3 TYR A 22 28.791 -31.233 -7.966 1.00 25.20 H new ATOM 0 HD1 TYR A 22 28.122 -32.937 -9.565 1.00 41.32 H new ATOM 0 HD2 TYR A 22 25.194 -31.023 -7.133 1.00 2.34 H new ATOM 0 HE1 TYR A 22 26.344 -33.854 -10.987 1.00 73.11 H new ATOM 0 HE2 TYR A 22 23.413 -31.943 -8.549 1.00 63.11 H new ATOM 0 HH TYR A 22 22.902 -33.176 -10.308 1.00 70.54 H new ATOM 388 N PHE A 23 29.653 -30.899 -4.715 1.00 0.11 N ATOM 389 CA PHE A 23 30.921 -30.480 -4.129 1.00 63.24 C ATOM 390 C PHE A 23 31.433 -31.521 -3.138 1.00 73.40 C ATOM 391 O PHE A 23 32.630 -31.798 -3.073 1.00 52.43 O ATOM 392 CB PHE A 23 30.763 -29.128 -3.430 1.00 61.43 C ATOM 393 CG PHE A 23 32.071 -28.479 -3.078 1.00 32.11 C ATOM 394 CD1 PHE A 23 33.068 -28.338 -4.029 1.00 51.25 C ATOM 395 CD2 PHE A 23 32.303 -28.010 -1.795 1.00 21.42 C ATOM 396 CE1 PHE A 23 34.272 -27.740 -3.709 1.00 24.44 C ATOM 397 CE2 PHE A 23 33.505 -27.412 -1.468 1.00 42.23 C ATOM 398 CZ PHE A 23 34.492 -27.278 -2.426 1.00 15.21 C ATOM 0 H PHE A 23 28.841 -30.385 -4.374 1.00 0.11 H new ATOM 0 HA PHE A 23 31.649 -30.382 -4.934 1.00 63.24 H new ATOM 0 HB2 PHE A 23 30.196 -28.458 -4.076 1.00 61.43 H new ATOM 0 HB3 PHE A 23 30.178 -29.264 -2.521 1.00 61.43 H new ATOM 0 HD1 PHE A 23 32.902 -28.700 -5.033 1.00 51.25 H new ATOM 0 HD2 PHE A 23 31.536 -28.113 -1.042 1.00 21.42 H new ATOM 0 HE1 PHE A 23 35.040 -27.634 -4.461 1.00 24.44 H new ATOM 0 HE2 PHE A 23 33.673 -27.050 -0.465 1.00 42.23 H new ATOM 0 HZ PHE A 23 35.433 -26.813 -2.172 1.00 15.21 H new ATOM 408 N GLY A 24 30.515 -32.096 -2.366 1.00 40.10 N ATOM 409 CA GLY A 24 30.892 -33.099 -1.388 1.00 35.44 C ATOM 410 C GLY A 24 30.971 -34.490 -1.985 1.00 33.33 C ATOM 411 O GLY A 24 31.139 -34.646 -3.193 1.00 53.04 O ATOM 0 H GLY A 24 29.518 -31.885 -2.401 1.00 40.10 H new ATOM 0 HA2 GLY A 24 31.858 -32.837 -0.957 1.00 35.44 H new ATOM 0 HA3 GLY A 24 30.168 -33.097 -0.573 1.00 35.44 H new ATOM 415 N GLY A 25 30.851 -35.506 -1.134 1.00 40.44 N ATOM 416 CA GLY A 25 30.915 -36.877 -1.604 1.00 34.55 C ATOM 417 C GLY A 25 31.821 -37.741 -0.749 1.00 43.12 C ATOM 418 O GLY A 25 32.673 -37.230 -0.022 1.00 43.43 O ATOM 0 H GLY A 25 30.711 -35.403 -0.129 1.00 40.44 H new ATOM 0 HA2 GLY A 25 29.912 -37.303 -1.610 1.00 34.55 H new ATOM 0 HA3 GLY A 25 31.273 -36.889 -2.634 1.00 34.55 H new ATOM 422 N PHE A 26 31.638 -39.054 -0.835 1.00 34.35 N ATOM 423 CA PHE A 26 32.444 -39.991 -0.061 1.00 2.01 C ATOM 424 C PHE A 26 33.422 -40.740 -0.962 1.00 12.02 C ATOM 425 O PHE A 26 33.259 -40.772 -2.181 1.00 30.12 O ATOM 426 CB PHE A 26 31.544 -40.987 0.673 1.00 11.01 C ATOM 427 CG PHE A 26 30.970 -40.447 1.952 1.00 42.02 C ATOM 428 CD1 PHE A 26 31.358 -40.968 3.175 1.00 25.34 C ATOM 429 CD2 PHE A 26 30.042 -39.418 1.930 1.00 22.32 C ATOM 430 CE1 PHE A 26 30.833 -40.473 4.354 1.00 32.41 C ATOM 431 CE2 PHE A 26 29.513 -38.919 3.106 1.00 64.15 C ATOM 432 CZ PHE A 26 29.908 -39.448 4.319 1.00 62.12 C ATOM 0 H PHE A 26 30.938 -39.494 -1.433 1.00 34.35 H new ATOM 0 HA PHE A 26 33.015 -39.421 0.672 1.00 2.01 H new ATOM 0 HB2 PHE A 26 30.728 -41.281 0.013 1.00 11.01 H new ATOM 0 HB3 PHE A 26 32.117 -41.888 0.893 1.00 11.01 H new ATOM 0 HD1 PHE A 26 32.080 -41.771 3.208 1.00 25.34 H new ATOM 0 HD2 PHE A 26 29.729 -39.001 0.984 1.00 22.32 H new ATOM 0 HE1 PHE A 26 31.146 -40.887 5.301 1.00 32.41 H new ATOM 0 HE2 PHE A 26 28.791 -38.116 3.076 1.00 64.15 H new ATOM 0 HZ PHE A 26 29.494 -39.061 5.238 1.00 62.12 H new ATOM 442 N ASN A 27 34.438 -41.341 -0.352 1.00 2.25 N ATOM 443 CA ASN A 27 35.443 -42.089 -1.098 1.00 5.13 C ATOM 444 C ASN A 27 35.335 -43.583 -0.809 1.00 4.04 C ATOM 445 O ASN A 27 35.038 -43.989 0.315 1.00 0.00 O ATOM 446 CB ASN A 27 36.846 -41.590 -0.745 1.00 43.03 C ATOM 447 CG ASN A 27 37.207 -41.856 0.703 1.00 4.45 C ATOM 448 OD1 ASN A 27 36.337 -41.908 1.572 1.00 33.22 O ATOM 449 ND2 ASN A 27 38.497 -42.024 0.970 1.00 23.42 N ATOM 0 H ASN A 27 34.587 -41.325 0.657 1.00 2.25 H new ATOM 0 HA ASN A 27 35.264 -41.929 -2.161 1.00 5.13 H new ATOM 0 HB2 ASN A 27 37.575 -42.076 -1.393 1.00 43.03 H new ATOM 0 HB3 ASN A 27 36.908 -40.520 -0.941 1.00 43.03 H new ATOM 0 HD21 ASN A 27 38.800 -42.204 1.927 1.00 23.42 H new ATOM 0 HD22 ASN A 27 39.184 -41.973 0.218 1.00 23.42 H new ATOM 456 N PHE A 28 35.580 -44.397 -1.830 1.00 54.13 N ATOM 457 CA PHE A 28 35.510 -45.846 -1.687 1.00 34.43 C ATOM 458 C PHE A 28 36.692 -46.370 -0.877 1.00 32.43 C ATOM 459 O PHE A 28 36.599 -47.410 -0.224 1.00 60.25 O ATOM 460 CB PHE A 28 35.483 -46.516 -3.062 1.00 53.34 C ATOM 461 CG PHE A 28 34.185 -46.329 -3.795 1.00 12.32 C ATOM 462 CD1 PHE A 28 34.144 -45.632 -4.992 1.00 33.31 C ATOM 463 CD2 PHE A 28 33.006 -46.849 -3.286 1.00 13.22 C ATOM 464 CE1 PHE A 28 32.951 -45.459 -5.669 1.00 1.43 C ATOM 465 CE2 PHE A 28 31.810 -46.679 -3.958 1.00 43.33 C ATOM 466 CZ PHE A 28 31.783 -45.982 -5.150 1.00 53.25 C ATOM 0 H PHE A 28 35.829 -44.077 -2.766 1.00 54.13 H new ATOM 0 HA PHE A 28 34.590 -46.089 -1.155 1.00 34.43 H new ATOM 0 HB2 PHE A 28 36.295 -46.115 -3.669 1.00 53.34 H new ATOM 0 HB3 PHE A 28 35.672 -47.583 -2.941 1.00 53.34 H new ATOM 0 HD1 PHE A 28 35.054 -45.219 -5.401 1.00 33.31 H new ATOM 0 HD2 PHE A 28 33.022 -47.393 -2.353 1.00 13.22 H new ATOM 0 HE1 PHE A 28 32.933 -44.916 -6.602 1.00 1.43 H new ATOM 0 HE2 PHE A 28 30.898 -47.091 -3.551 1.00 43.33 H new ATOM 0 HZ PHE A 28 30.849 -45.846 -5.676 1.00 53.25 H new ATOM 476 N SER A 29 37.803 -45.643 -0.924 1.00 50.41 N ATOM 477 CA SER A 29 39.006 -46.035 -0.199 1.00 35.32 C ATOM 478 C SER A 29 38.697 -46.273 1.276 1.00 31.12 C ATOM 479 O SER A 29 39.296 -47.139 1.914 1.00 13.52 O ATOM 480 CB SER A 29 40.085 -44.960 -0.339 1.00 20.32 C ATOM 481 OG SER A 29 41.382 -45.525 -0.252 1.00 73.34 O ATOM 0 H SER A 29 37.895 -44.778 -1.457 1.00 50.41 H new ATOM 0 HA SER A 29 39.374 -46.966 -0.631 1.00 35.32 H new ATOM 0 HB2 SER A 29 39.971 -44.448 -1.295 1.00 20.32 H new ATOM 0 HB3 SER A 29 39.959 -44.210 0.441 1.00 20.32 H new ATOM 0 HG SER A 29 42.054 -44.818 -0.346 1.00 73.34 H new ATOM 487 N GLN A 30 37.758 -45.498 1.810 1.00 24.23 N ATOM 488 CA GLN A 30 37.370 -45.624 3.210 1.00 4.33 C ATOM 489 C GLN A 30 36.782 -47.002 3.490 1.00 35.35 C ATOM 490 O GLN A 30 36.973 -47.562 4.570 1.00 5.14 O ATOM 491 CB GLN A 30 36.357 -44.539 3.580 1.00 45.32 C ATOM 492 CG GLN A 30 35.819 -44.666 4.996 1.00 41.22 C ATOM 493 CD GLN A 30 34.606 -45.572 5.080 1.00 44.51 C ATOM 494 OE1 GLN A 30 33.761 -45.581 4.185 1.00 61.24 O ATOM 495 NE2 GLN A 30 34.514 -46.340 6.159 1.00 5.53 N ATOM 0 H GLN A 30 37.253 -44.777 1.295 1.00 24.23 H new ATOM 0 HA GLN A 30 38.264 -45.500 3.821 1.00 4.33 H new ATOM 0 HB2 GLN A 30 36.826 -43.562 3.465 1.00 45.32 H new ATOM 0 HB3 GLN A 30 35.523 -44.578 2.879 1.00 45.32 H new ATOM 0 HG2 GLN A 30 36.604 -45.054 5.645 1.00 41.22 H new ATOM 0 HG3 GLN A 30 35.556 -43.677 5.371 1.00 41.22 H new ATOM 0 HE21 GLN A 30 35.238 -46.300 6.877 1.00 5.53 H new ATOM 0 HE22 GLN A 30 33.719 -46.970 6.270 1.00 5.53 H new ATOM 504 N ILE A 31 36.064 -47.544 2.512 1.00 41.21 N ATOM 505 CA ILE A 31 35.448 -48.857 2.654 1.00 61.23 C ATOM 506 C ILE A 31 36.481 -49.968 2.501 1.00 63.32 C ATOM 507 O ILE A 31 36.472 -50.947 3.249 1.00 43.20 O ATOM 508 CB ILE A 31 34.327 -49.068 1.619 1.00 42.02 C ATOM 509 CG1 ILE A 31 33.261 -47.980 1.761 1.00 35.34 C ATOM 510 CG2 ILE A 31 33.709 -50.448 1.782 1.00 72.44 C ATOM 511 CD1 ILE A 31 32.219 -48.008 0.665 1.00 41.23 C ATOM 0 H ILE A 31 35.895 -47.094 1.613 1.00 41.21 H new ATOM 0 HA ILE A 31 35.019 -48.898 3.655 1.00 61.23 H new ATOM 0 HB ILE A 31 34.757 -49.000 0.620 1.00 42.02 H new ATOM 0 HG12 ILE A 31 32.765 -48.092 2.725 1.00 35.34 H new ATOM 0 HG13 ILE A 31 33.747 -47.004 1.764 1.00 35.34 H new ATOM 0 HG21 ILE A 31 32.918 -50.582 1.044 1.00 72.44 H new ATOM 0 HG22 ILE A 31 34.475 -51.209 1.636 1.00 72.44 H new ATOM 0 HG23 ILE A 31 33.290 -50.543 2.784 1.00 72.44 H new ATOM 0 HD11 ILE A 31 31.496 -47.209 0.830 1.00 41.23 H new ATOM 0 HD12 ILE A 31 32.703 -47.865 -0.301 1.00 41.23 H new ATOM 0 HD13 ILE A 31 31.706 -48.970 0.675 1.00 41.23 H new ATOM 523 N LEU A 32 37.372 -49.810 1.528 1.00 21.41 N ATOM 524 CA LEU A 32 38.415 -50.799 1.277 1.00 33.55 C ATOM 525 C LEU A 32 39.499 -50.230 0.368 1.00 54.30 C ATOM 526 O LEU A 32 39.288 -49.255 -0.354 1.00 5.54 O ATOM 527 CB LEU A 32 37.812 -52.056 0.646 1.00 1.15 C ATOM 528 CG LEU A 32 36.624 -51.833 -0.290 1.00 11.02 C ATOM 529 CD1 LEU A 32 37.036 -50.984 -1.482 1.00 70.24 C ATOM 530 CD2 LEU A 32 36.053 -53.165 -0.753 1.00 35.21 C ATOM 0 H LEU A 32 37.393 -49.007 0.900 1.00 21.41 H new ATOM 0 HA LEU A 32 38.870 -51.061 2.232 1.00 33.55 H new ATOM 0 HB2 LEU A 32 38.595 -52.571 0.090 1.00 1.15 H new ATOM 0 HB3 LEU A 32 37.497 -52.725 1.447 1.00 1.15 H new ATOM 0 HG LEU A 32 35.848 -51.299 0.259 1.00 11.02 H new ATOM 0 HD11 LEU A 32 36.178 -50.836 -2.137 1.00 70.24 H new ATOM 0 HD12 LEU A 32 37.397 -50.017 -1.132 1.00 70.24 H new ATOM 0 HD13 LEU A 32 37.829 -51.490 -2.032 1.00 70.24 H new ATOM 0 HD21 LEU A 32 35.208 -52.987 -1.418 1.00 35.21 H new ATOM 0 HD22 LEU A 32 36.822 -53.725 -1.285 1.00 35.21 H new ATOM 0 HD23 LEU A 32 35.719 -53.738 0.112 1.00 35.21 H new ATOM 542 N PRO A 33 40.686 -50.852 0.400 1.00 21.51 N ATOM 543 CA PRO A 33 41.826 -50.426 -0.417 1.00 72.34 C ATOM 544 C PRO A 33 41.611 -50.703 -1.901 1.00 75.14 C ATOM 545 O PRO A 33 41.154 -49.835 -2.645 1.00 13.33 O ATOM 546 CB PRO A 33 42.984 -51.270 0.121 1.00 11.14 C ATOM 547 CG PRO A 33 42.335 -52.480 0.699 1.00 75.03 C ATOM 548 CD PRO A 33 41.007 -52.021 1.236 1.00 24.15 C ATOM 0 HA PRO A 33 41.996 -49.351 -0.349 1.00 72.34 H new ATOM 0 HB2 PRO A 33 43.682 -51.536 -0.673 1.00 11.14 H new ATOM 0 HB3 PRO A 33 43.552 -50.727 0.876 1.00 11.14 H new ATOM 0 HG2 PRO A 33 42.204 -53.252 -0.059 1.00 75.03 H new ATOM 0 HG3 PRO A 33 42.948 -52.911 1.490 1.00 75.03 H new ATOM 0 HD2 PRO A 33 40.248 -52.798 1.148 1.00 24.15 H new ATOM 0 HD3 PRO A 33 41.071 -51.755 2.291 1.00 24.15 H new ATOM 556 N SER A 34 41.942 -51.918 -2.326 1.00 71.22 N ATOM 557 CA SER A 34 41.788 -52.308 -3.723 1.00 33.21 C ATOM 558 C SER A 34 42.191 -53.765 -3.928 1.00 31.33 C ATOM 559 O SER A 34 43.204 -54.073 -4.556 1.00 71.31 O ATOM 560 CB SER A 34 42.630 -51.403 -4.623 1.00 43.42 C ATOM 561 OG SER A 34 43.855 -51.059 -3.998 1.00 52.03 O ATOM 0 H SER A 34 42.319 -52.649 -1.723 1.00 71.22 H new ATOM 0 HA SER A 34 40.737 -52.199 -3.991 1.00 33.21 H new ATOM 0 HB2 SER A 34 42.830 -51.909 -5.568 1.00 43.42 H new ATOM 0 HB3 SER A 34 42.071 -50.497 -4.858 1.00 43.42 H new ATOM 0 HG SER A 34 44.376 -50.481 -4.594 1.00 52.03 H new ATOM 567 N PRO A 35 41.379 -54.685 -3.385 1.00 4.23 N ATOM 568 CA PRO A 35 41.630 -56.125 -3.494 1.00 74.03 C ATOM 569 C PRO A 35 41.427 -56.642 -4.914 1.00 72.33 C ATOM 570 O PRO A 35 40.375 -56.430 -5.519 1.00 51.11 O ATOM 571 CB PRO A 35 40.594 -56.738 -2.549 1.00 35.02 C ATOM 572 CG PRO A 35 39.495 -55.734 -2.489 1.00 13.14 C ATOM 573 CD PRO A 35 40.155 -54.389 -2.622 1.00 74.34 C ATOM 0 HA PRO A 35 42.660 -56.380 -3.243 1.00 74.03 H new ATOM 0 HB2 PRO A 35 40.235 -57.696 -2.924 1.00 35.02 H new ATOM 0 HB3 PRO A 35 41.018 -56.920 -1.562 1.00 35.02 H new ATOM 0 HG2 PRO A 35 38.774 -55.896 -3.291 1.00 13.14 H new ATOM 0 HG3 PRO A 35 38.949 -55.809 -1.549 1.00 13.14 H new ATOM 0 HD2 PRO A 35 39.517 -53.678 -3.146 1.00 74.34 H new ATOM 0 HD3 PRO A 35 40.383 -53.955 -1.648 1.00 74.34 H new ATOM 581 N LEU A 36 42.439 -57.322 -5.441 1.00 60.24 N ATOM 582 CA LEU A 36 42.372 -57.871 -6.791 1.00 55.15 C ATOM 583 C LEU A 36 41.963 -59.340 -6.762 1.00 64.32 C ATOM 584 O LEU A 36 42.668 -60.181 -6.203 1.00 43.13 O ATOM 585 CB LEU A 36 43.722 -57.719 -7.493 1.00 42.21 C ATOM 586 CG LEU A 36 43.954 -56.396 -8.224 1.00 12.32 C ATOM 587 CD1 LEU A 36 44.127 -55.259 -7.228 1.00 64.31 C ATOM 588 CD2 LEU A 36 45.166 -56.496 -9.138 1.00 24.33 C ATOM 0 H LEU A 36 43.316 -57.507 -4.954 1.00 60.24 H new ATOM 0 HA LEU A 36 41.617 -57.314 -7.346 1.00 55.15 H new ATOM 0 HB2 LEU A 36 44.511 -57.844 -6.751 1.00 42.21 H new ATOM 0 HB3 LEU A 36 43.829 -58.532 -8.212 1.00 42.21 H new ATOM 0 HG LEU A 36 43.078 -56.184 -8.838 1.00 12.32 H new ATOM 0 HD11 LEU A 36 44.291 -54.326 -7.766 1.00 64.31 H new ATOM 0 HD12 LEU A 36 43.229 -55.172 -6.616 1.00 64.31 H new ATOM 0 HD13 LEU A 36 44.985 -55.464 -6.587 1.00 64.31 H new ATOM 0 HD21 LEU A 36 45.315 -55.545 -9.650 1.00 24.33 H new ATOM 0 HD22 LEU A 36 46.050 -56.732 -8.546 1.00 24.33 H new ATOM 0 HD23 LEU A 36 45.002 -57.283 -9.875 1.00 24.33 H new ATOM 600 N LYS A 37 40.821 -59.644 -7.370 1.00 4.12 N ATOM 601 CA LYS A 37 40.320 -61.012 -7.417 1.00 73.24 C ATOM 602 C LYS A 37 40.299 -61.534 -8.850 1.00 73.53 C ATOM 603 O LYS A 37 39.887 -60.843 -9.782 1.00 72.54 O ATOM 604 CB LYS A 37 38.914 -61.083 -6.817 1.00 11.12 C ATOM 605 CG LYS A 37 38.321 -62.481 -6.819 1.00 23.41 C ATOM 606 CD LYS A 37 38.605 -63.209 -5.516 1.00 20.24 C ATOM 607 CE LYS A 37 37.489 -62.997 -4.504 1.00 41.31 C ATOM 608 NZ LYS A 37 37.841 -61.954 -3.501 1.00 0.10 N ATOM 0 H LYS A 37 40.225 -58.961 -7.837 1.00 4.12 H new ATOM 0 HA LYS A 37 40.991 -61.639 -6.830 1.00 73.24 H new ATOM 0 HB2 LYS A 37 38.946 -60.713 -5.792 1.00 11.12 H new ATOM 0 HB3 LYS A 37 38.256 -60.418 -7.376 1.00 11.12 H new ATOM 0 HG2 LYS A 37 37.244 -62.420 -6.976 1.00 23.41 H new ATOM 0 HG3 LYS A 37 38.733 -63.051 -7.652 1.00 23.41 H new ATOM 0 HD2 LYS A 37 38.722 -64.275 -5.712 1.00 20.24 H new ATOM 0 HD3 LYS A 37 39.548 -62.856 -5.099 1.00 20.24 H new ATOM 0 HE2 LYS A 37 36.577 -62.707 -5.025 1.00 41.31 H new ATOM 0 HE3 LYS A 37 37.279 -63.936 -3.993 1.00 41.31 H new ATOM 0 HZ1 LYS A 37 37.146 -61.968 -2.727 1.00 0.10 H new ATOM 0 HZ2 LYS A 37 38.789 -62.146 -3.119 1.00 0.10 H new ATOM 0 HZ3 LYS A 37 37.834 -61.019 -3.956 1.00 0.10 H new ATOM 622 N PRO A 38 40.752 -62.784 -9.032 1.00 55.25 N ATOM 623 CA PRO A 38 40.793 -63.427 -10.349 1.00 52.22 C ATOM 624 C PRO A 38 39.400 -63.749 -10.881 1.00 24.23 C ATOM 625 O PRO A 38 38.687 -64.582 -10.320 1.00 2.01 O ATOM 626 CB PRO A 38 41.578 -64.715 -10.090 1.00 71.14 C ATOM 627 CG PRO A 38 41.367 -65.003 -8.644 1.00 72.31 C ATOM 628 CD PRO A 38 41.258 -63.665 -7.967 1.00 34.21 C ATOM 0 HA PRO A 38 41.243 -62.782 -11.104 1.00 52.22 H new ATOM 0 HB2 PRO A 38 41.215 -65.532 -10.713 1.00 71.14 H new ATOM 0 HB3 PRO A 38 42.636 -64.586 -10.318 1.00 71.14 H new ATOM 0 HG2 PRO A 38 40.463 -65.592 -8.491 1.00 72.31 H new ATOM 0 HG3 PRO A 38 42.197 -65.580 -8.236 1.00 72.31 H new ATOM 0 HD2 PRO A 38 40.577 -63.699 -7.117 1.00 34.21 H new ATOM 0 HD3 PRO A 38 42.223 -63.326 -7.589 1.00 34.21 H new ATOM 636 N THR A 39 39.018 -63.085 -11.967 1.00 11.30 N ATOM 637 CA THR A 39 37.711 -63.300 -12.574 1.00 34.11 C ATOM 638 C THR A 39 37.665 -64.625 -13.327 1.00 5.21 C ATOM 639 O THR A 39 36.598 -65.211 -13.509 1.00 65.51 O ATOM 640 CB THR A 39 37.346 -62.159 -13.543 1.00 21.34 C ATOM 641 OG1 THR A 39 36.107 -62.451 -14.199 1.00 3.11 O ATOM 642 CG2 THR A 39 38.441 -61.960 -14.580 1.00 13.21 C ATOM 0 H THR A 39 39.596 -62.393 -12.444 1.00 11.30 H new ATOM 0 HA THR A 39 36.986 -63.322 -11.761 1.00 34.11 H new ATOM 0 HB THR A 39 37.243 -61.240 -12.966 1.00 21.34 H new ATOM 0 HG1 THR A 39 35.881 -61.720 -14.812 1.00 3.11 H new ATOM 0 HG21 THR A 39 38.162 -61.150 -15.253 1.00 13.21 H new ATOM 0 HG22 THR A 39 39.376 -61.709 -14.079 1.00 13.21 H new ATOM 0 HG23 THR A 39 38.571 -62.878 -15.152 1.00 13.21 H new ATOM 650 N LYS A 40 38.830 -65.092 -13.763 1.00 24.35 N ATOM 651 CA LYS A 40 38.925 -66.350 -14.495 1.00 2.34 C ATOM 652 C LYS A 40 38.474 -67.520 -13.627 1.00 24.14 C ATOM 653 O LYS A 40 38.004 -68.538 -14.136 1.00 4.33 O ATOM 654 CB LYS A 40 40.361 -66.578 -14.972 1.00 61.52 C ATOM 655 CG LYS A 40 40.650 -65.981 -16.338 1.00 62.14 C ATOM 656 CD LYS A 40 42.115 -65.603 -16.483 1.00 14.51 C ATOM 657 CE LYS A 40 42.975 -66.815 -16.803 1.00 72.33 C ATOM 658 NZ LYS A 40 42.725 -67.324 -18.180 1.00 62.23 N ATOM 0 H LYS A 40 39.722 -64.618 -13.622 1.00 24.35 H new ATOM 0 HA LYS A 40 38.266 -66.289 -15.361 1.00 2.34 H new ATOM 0 HB2 LYS A 40 41.049 -66.148 -14.244 1.00 61.52 H new ATOM 0 HB3 LYS A 40 40.559 -67.649 -15.004 1.00 61.52 H new ATOM 0 HG2 LYS A 40 40.380 -66.697 -17.114 1.00 62.14 H new ATOM 0 HG3 LYS A 40 40.029 -65.098 -16.489 1.00 62.14 H new ATOM 0 HD2 LYS A 40 42.223 -64.860 -17.273 1.00 14.51 H new ATOM 0 HD3 LYS A 40 42.465 -65.141 -15.560 1.00 14.51 H new ATOM 0 HE2 LYS A 40 44.027 -66.551 -16.699 1.00 72.33 H new ATOM 0 HE3 LYS A 40 42.771 -67.606 -16.081 1.00 72.33 H new ATOM 0 HZ1 LYS A 40 43.523 -67.920 -18.480 1.00 62.23 H new ATOM 0 HZ2 LYS A 40 41.850 -67.887 -18.189 1.00 62.23 H new ATOM 0 HZ3 LYS A 40 42.627 -66.522 -18.834 1.00 62.23 H new ATOM 672 N ARG A 41 38.619 -67.368 -12.314 1.00 44.13 N ATOM 673 CA ARG A 41 38.227 -68.412 -11.376 1.00 74.41 C ATOM 674 C ARG A 41 36.767 -68.250 -10.962 1.00 21.15 C ATOM 675 O ARG A 41 36.282 -68.950 -10.072 1.00 45.13 O ATOM 676 CB ARG A 41 39.126 -68.381 -10.139 1.00 11.31 C ATOM 677 CG ARG A 41 40.508 -68.967 -10.376 1.00 3.44 C ATOM 678 CD ARG A 41 41.420 -68.743 -9.180 1.00 4.24 C ATOM 679 NE ARG A 41 42.832 -68.779 -9.553 1.00 53.03 N ATOM 680 CZ ARG A 41 43.497 -69.901 -9.806 1.00 14.11 C ATOM 681 NH1 ARG A 41 42.881 -71.073 -9.726 1.00 1.54 N ATOM 682 NH2 ARG A 41 44.780 -69.852 -10.140 1.00 72.31 N ATOM 0 H ARG A 41 39.005 -66.531 -11.877 1.00 44.13 H new ATOM 0 HA ARG A 41 38.341 -69.375 -11.874 1.00 74.41 H new ATOM 0 HB2 ARG A 41 39.231 -67.350 -9.802 1.00 11.31 H new ATOM 0 HB3 ARG A 41 38.640 -68.932 -9.333 1.00 11.31 H new ATOM 0 HG2 ARG A 41 40.422 -70.035 -10.575 1.00 3.44 H new ATOM 0 HG3 ARG A 41 40.950 -68.512 -11.262 1.00 3.44 H new ATOM 0 HD2 ARG A 41 41.190 -67.780 -8.724 1.00 4.24 H new ATOM 0 HD3 ARG A 41 41.224 -69.507 -8.427 1.00 4.24 H new ATOM 0 HE ARG A 41 43.335 -67.894 -9.623 1.00 53.03 H new ATOM 0 HH11 ARG A 41 41.895 -71.114 -9.470 1.00 1.54 H new ATOM 0 HH12 ARG A 41 43.394 -71.933 -9.921 1.00 1.54 H new ATOM 0 HH21 ARG A 41 45.257 -68.952 -10.203 1.00 72.31 H new ATOM 0 HH22 ARG A 41 45.290 -70.714 -10.334 1.00 72.31 H new ATOM 696 N SER A 42 36.072 -67.322 -11.612 1.00 3.03 N ATOM 697 CA SER A 42 34.670 -67.064 -11.308 1.00 34.52 C ATOM 698 C SER A 42 33.855 -68.353 -11.371 1.00 53.31 C ATOM 699 O SER A 42 33.933 -69.103 -12.344 1.00 23.52 O ATOM 700 CB SER A 42 34.095 -66.036 -12.284 1.00 0.35 C ATOM 701 OG SER A 42 34.378 -64.714 -11.857 1.00 22.42 O ATOM 0 H SER A 42 36.457 -66.736 -12.353 1.00 3.03 H new ATOM 0 HA SER A 42 34.611 -66.665 -10.295 1.00 34.52 H new ATOM 0 HB2 SER A 42 34.514 -66.198 -13.277 1.00 0.35 H new ATOM 0 HB3 SER A 42 33.017 -66.172 -12.367 1.00 0.35 H new ATOM 0 HG SER A 42 35.187 -64.391 -12.307 1.00 22.42 H new ATOM 707 N PHE A 43 33.072 -68.602 -10.327 1.00 31.14 N ATOM 708 CA PHE A 43 32.242 -69.800 -10.262 1.00 4.35 C ATOM 709 C PHE A 43 30.997 -69.646 -11.129 1.00 73.33 C ATOM 710 O PHE A 43 30.474 -70.626 -11.662 1.00 43.22 O ATOM 711 CB PHE A 43 31.837 -70.087 -8.814 1.00 64.33 C ATOM 712 CG PHE A 43 32.991 -70.065 -7.853 1.00 64.52 C ATOM 713 CD1 PHE A 43 34.060 -70.933 -8.013 1.00 33.11 C ATOM 714 CD2 PHE A 43 33.008 -69.177 -6.790 1.00 34.53 C ATOM 715 CE1 PHE A 43 35.123 -70.915 -7.131 1.00 25.45 C ATOM 716 CE2 PHE A 43 34.069 -69.155 -5.904 1.00 54.14 C ATOM 717 CZ PHE A 43 35.127 -70.026 -6.074 1.00 43.32 C ATOM 0 H PHE A 43 32.994 -67.991 -9.514 1.00 31.14 H new ATOM 0 HA PHE A 43 32.826 -70.638 -10.642 1.00 4.35 H new ATOM 0 HB2 PHE A 43 31.098 -69.350 -8.499 1.00 64.33 H new ATOM 0 HB3 PHE A 43 31.354 -71.063 -8.767 1.00 64.33 H new ATOM 0 HD1 PHE A 43 34.062 -71.631 -8.837 1.00 33.11 H new ATOM 0 HD2 PHE A 43 32.183 -68.494 -6.652 1.00 34.53 H new ATOM 0 HE1 PHE A 43 35.950 -71.596 -7.268 1.00 25.45 H new ATOM 0 HE2 PHE A 43 34.070 -68.457 -5.080 1.00 54.14 H new ATOM 0 HZ PHE A 43 35.956 -70.012 -5.382 1.00 43.32 H new ATOM 727 N ILE A 44 30.526 -68.411 -11.265 1.00 64.14 N ATOM 728 CA ILE A 44 29.343 -68.129 -12.068 1.00 71.12 C ATOM 729 C ILE A 44 29.514 -68.635 -13.496 1.00 70.44 C ATOM 730 O ILE A 44 28.535 -68.921 -14.185 1.00 60.00 O ATOM 731 CB ILE A 44 29.033 -66.621 -12.104 1.00 2.21 C ATOM 732 CG1 ILE A 44 30.263 -65.836 -12.564 1.00 64.25 C ATOM 733 CG2 ILE A 44 28.575 -66.142 -10.735 1.00 13.33 C ATOM 734 CD1 ILE A 44 30.010 -64.353 -12.722 1.00 21.20 C ATOM 0 H ILE A 44 30.946 -67.590 -10.829 1.00 64.14 H new ATOM 0 HA ILE A 44 28.511 -68.652 -11.597 1.00 71.12 H new ATOM 0 HB ILE A 44 28.227 -66.448 -12.817 1.00 2.21 H new ATOM 0 HG12 ILE A 44 31.068 -65.984 -11.845 1.00 64.25 H new ATOM 0 HG13 ILE A 44 30.607 -66.241 -13.516 1.00 64.25 H new ATOM 0 HG21 ILE A 44 28.360 -65.074 -10.776 1.00 13.33 H new ATOM 0 HG22 ILE A 44 27.675 -66.683 -10.443 1.00 13.33 H new ATOM 0 HG23 ILE A 44 29.362 -66.325 -10.003 1.00 13.33 H new ATOM 0 HD11 ILE A 44 30.925 -63.861 -13.050 1.00 21.20 H new ATOM 0 HD12 ILE A 44 29.227 -64.194 -13.463 1.00 21.20 H new ATOM 0 HD13 ILE A 44 29.695 -63.934 -11.766 1.00 21.20 H new ATOM 746 N GLU A 45 30.765 -68.746 -13.934 1.00 15.43 N ATOM 747 CA GLU A 45 31.063 -69.219 -15.280 1.00 43.02 C ATOM 748 C GLU A 45 30.463 -70.602 -15.517 1.00 13.35 C ATOM 749 O GLU A 45 30.099 -70.948 -16.640 1.00 71.45 O ATOM 750 CB GLU A 45 32.576 -69.263 -15.505 1.00 41.34 C ATOM 751 CG GLU A 45 32.969 -69.478 -16.957 1.00 64.21 C ATOM 752 CD GLU A 45 34.465 -69.366 -17.179 1.00 63.41 C ATOM 753 OE1 GLU A 45 35.195 -70.296 -16.776 1.00 62.44 O ATOM 754 OE2 GLU A 45 34.906 -68.350 -17.755 1.00 11.33 O ATOM 0 H GLU A 45 31.587 -68.515 -13.376 1.00 15.43 H new ATOM 0 HA GLU A 45 30.617 -68.522 -15.989 1.00 43.02 H new ATOM 0 HB2 GLU A 45 33.015 -68.329 -15.153 1.00 41.34 H new ATOM 0 HB3 GLU A 45 33.002 -70.063 -14.900 1.00 41.34 H new ATOM 0 HG2 GLU A 45 32.630 -70.463 -17.279 1.00 64.21 H new ATOM 0 HG3 GLU A 45 32.457 -68.745 -17.580 1.00 64.21 H new ATOM 761 N ASP A 46 30.363 -71.387 -14.450 1.00 12.13 N ATOM 762 CA ASP A 46 29.806 -72.732 -14.540 1.00 2.24 C ATOM 763 C ASP A 46 28.388 -72.697 -15.100 1.00 52.41 C ATOM 764 O ASP A 46 27.972 -73.603 -15.824 1.00 10.35 O ATOM 765 CB ASP A 46 29.808 -73.401 -13.164 1.00 52.50 C ATOM 766 CG ASP A 46 31.202 -73.780 -12.707 1.00 24.35 C ATOM 767 OD1 ASP A 46 32.082 -72.894 -12.686 1.00 65.23 O ATOM 768 OD2 ASP A 46 31.414 -74.963 -12.368 1.00 34.41 O ATOM 0 H ASP A 46 30.660 -71.115 -13.513 1.00 12.13 H new ATOM 0 HA ASP A 46 30.431 -73.312 -15.219 1.00 2.24 H new ATOM 0 HB2 ASP A 46 29.361 -72.726 -12.434 1.00 52.50 H new ATOM 0 HB3 ASP A 46 29.184 -74.294 -13.197 1.00 52.50 H new ATOM 773 N LEU A 47 27.649 -71.646 -14.761 1.00 2.12 N ATOM 774 CA LEU A 47 26.276 -71.493 -15.229 1.00 42.43 C ATOM 775 C LEU A 47 26.228 -71.389 -16.750 1.00 61.13 C ATOM 776 O LEU A 47 25.365 -71.984 -17.397 1.00 14.12 O ATOM 777 CB LEU A 47 25.638 -70.252 -14.602 1.00 10.11 C ATOM 778 CG LEU A 47 24.426 -70.502 -13.704 1.00 52.00 C ATOM 779 CD1 LEU A 47 23.283 -71.105 -14.506 1.00 31.12 C ATOM 780 CD2 LEU A 47 24.801 -71.409 -12.542 1.00 23.44 C ATOM 0 H LEU A 47 27.978 -70.887 -14.164 1.00 2.12 H new ATOM 0 HA LEU A 47 25.714 -72.376 -14.925 1.00 42.43 H new ATOM 0 HB2 LEU A 47 26.398 -69.734 -14.017 1.00 10.11 H new ATOM 0 HB3 LEU A 47 25.338 -69.578 -15.404 1.00 10.11 H new ATOM 0 HG LEU A 47 24.094 -69.546 -13.300 1.00 52.00 H new ATOM 0 HD11 LEU A 47 22.429 -71.276 -13.850 1.00 31.12 H new ATOM 0 HD12 LEU A 47 22.997 -70.419 -15.303 1.00 31.12 H new ATOM 0 HD13 LEU A 47 23.603 -72.052 -14.940 1.00 31.12 H new ATOM 0 HD21 LEU A 47 23.926 -71.576 -11.914 1.00 23.44 H new ATOM 0 HD22 LEU A 47 25.159 -72.364 -12.927 1.00 23.44 H new ATOM 0 HD23 LEU A 47 25.587 -70.938 -11.952 1.00 23.44 H new ATOM 792 N LEU A 48 27.162 -70.632 -17.316 1.00 72.53 N ATOM 793 CA LEU A 48 27.228 -70.453 -18.763 1.00 11.35 C ATOM 794 C LEU A 48 27.319 -71.798 -19.475 1.00 22.41 C ATOM 795 O LEU A 48 26.675 -72.014 -20.502 1.00 33.15 O ATOM 796 CB LEU A 48 28.431 -69.584 -19.134 1.00 12.33 C ATOM 797 CG LEU A 48 28.150 -68.091 -19.315 1.00 25.44 C ATOM 798 CD1 LEU A 48 28.259 -67.363 -17.984 1.00 53.11 C ATOM 799 CD2 LEU A 48 29.106 -67.489 -20.334 1.00 3.10 C ATOM 0 H LEU A 48 27.883 -70.133 -16.796 1.00 72.53 H new ATOM 0 HA LEU A 48 26.314 -69.954 -19.085 1.00 11.35 H new ATOM 0 HB2 LEU A 48 29.190 -69.699 -18.360 1.00 12.33 H new ATOM 0 HB3 LEU A 48 28.859 -69.968 -20.060 1.00 12.33 H new ATOM 0 HG LEU A 48 27.132 -67.974 -19.688 1.00 25.44 H new ATOM 0 HD11 LEU A 48 28.056 -66.302 -18.132 1.00 53.11 H new ATOM 0 HD12 LEU A 48 27.535 -67.777 -17.283 1.00 53.11 H new ATOM 0 HD13 LEU A 48 29.265 -67.487 -17.582 1.00 53.11 H new ATOM 0 HD21 LEU A 48 28.892 -66.427 -20.450 1.00 3.10 H new ATOM 0 HD22 LEU A 48 30.132 -67.617 -19.990 1.00 3.10 H new ATOM 0 HD23 LEU A 48 28.980 -67.992 -21.293 1.00 3.10 H new ATOM 811 N PHE A 49 28.122 -72.701 -18.922 1.00 63.41 N ATOM 812 CA PHE A 49 28.297 -74.027 -19.504 1.00 31.22 C ATOM 813 C PHE A 49 27.135 -74.943 -19.129 1.00 43.21 C ATOM 814 O PHE A 49 26.765 -75.836 -19.890 1.00 20.13 O ATOM 815 CB PHE A 49 29.617 -74.643 -19.036 1.00 45.52 C ATOM 816 CG PHE A 49 30.830 -73.916 -19.543 1.00 62.05 C ATOM 817 CD1 PHE A 49 31.009 -73.702 -20.901 1.00 32.13 C ATOM 818 CD2 PHE A 49 31.792 -73.447 -18.663 1.00 21.50 C ATOM 819 CE1 PHE A 49 32.123 -73.034 -21.371 1.00 5.52 C ATOM 820 CE2 PHE A 49 32.908 -72.778 -19.127 1.00 45.12 C ATOM 821 CZ PHE A 49 33.075 -72.572 -20.483 1.00 0.22 C ATOM 0 H PHE A 49 28.662 -72.539 -18.072 1.00 63.41 H new ATOM 0 HA PHE A 49 28.318 -73.920 -20.589 1.00 31.22 H new ATOM 0 HB2 PHE A 49 29.638 -74.653 -17.946 1.00 45.52 H new ATOM 0 HB3 PHE A 49 29.661 -75.681 -19.365 1.00 45.52 H new ATOM 0 HD1 PHE A 49 30.268 -74.062 -21.600 1.00 32.13 H new ATOM 0 HD2 PHE A 49 31.668 -73.606 -17.602 1.00 21.50 H new ATOM 0 HE1 PHE A 49 32.250 -72.873 -22.431 1.00 5.52 H new ATOM 0 HE2 PHE A 49 33.650 -72.416 -18.430 1.00 45.12 H new ATOM 0 HZ PHE A 49 33.948 -72.051 -20.848 1.00 0.22 H new ATOM 831 N ASN A 50 26.565 -74.713 -17.951 1.00 21.44 N ATOM 832 CA ASN A 50 25.446 -75.518 -17.473 1.00 42.14 C ATOM 833 C ASN A 50 24.216 -75.315 -18.352 1.00 50.55 C ATOM 834 O ASN A 50 23.359 -76.193 -18.453 1.00 51.44 O ATOM 835 CB ASN A 50 25.115 -75.160 -16.023 1.00 44.41 C ATOM 836 CG ASN A 50 24.377 -76.273 -15.306 1.00 73.45 C ATOM 837 OD1 ASN A 50 23.933 -77.239 -15.928 1.00 13.01 O ATOM 838 ND2 ASN A 50 24.242 -76.143 -13.992 1.00 33.32 N ATOM 0 H ASN A 50 26.859 -73.976 -17.310 1.00 21.44 H new ATOM 0 HA ASN A 50 25.738 -76.567 -17.523 1.00 42.14 H new ATOM 0 HB2 ASN A 50 26.038 -74.936 -15.487 1.00 44.41 H new ATOM 0 HB3 ASN A 50 24.508 -74.255 -16.005 1.00 44.41 H new ATOM 0 HD21 ASN A 50 23.754 -76.861 -13.456 1.00 33.32 H new ATOM 0 HD22 ASN A 50 24.626 -75.325 -13.518 1.00 33.32 H new ATOM 845 N LYS A 51 24.136 -74.150 -18.988 1.00 33.41 N ATOM 846 CA LYS A 51 23.012 -73.830 -19.861 1.00 23.44 C ATOM 847 C LYS A 51 23.353 -74.129 -21.317 1.00 52.43 C ATOM 848 O LYS A 51 22.936 -73.407 -22.223 1.00 52.41 O ATOM 849 CB LYS A 51 22.624 -72.358 -19.708 1.00 22.04 C ATOM 850 CG LYS A 51 21.798 -72.073 -18.465 1.00 44.42 C ATOM 851 CD LYS A 51 20.387 -72.621 -18.595 1.00 43.04 C ATOM 852 CE LYS A 51 19.633 -72.537 -17.277 1.00 70.23 C ATOM 853 NZ LYS A 51 18.165 -72.704 -17.467 1.00 3.13 N ATOM 0 H LYS A 51 24.836 -73.412 -18.915 1.00 33.41 H new ATOM 0 HA LYS A 51 22.167 -74.454 -19.569 1.00 23.44 H new ATOM 0 HB2 LYS A 51 23.530 -71.753 -19.678 1.00 22.04 H new ATOM 0 HB3 LYS A 51 22.061 -72.046 -20.588 1.00 22.04 H new ATOM 0 HG2 LYS A 51 22.283 -72.517 -17.595 1.00 44.42 H new ATOM 0 HG3 LYS A 51 21.757 -70.997 -18.293 1.00 44.42 H new ATOM 0 HD2 LYS A 51 19.848 -72.063 -19.360 1.00 43.04 H new ATOM 0 HD3 LYS A 51 20.428 -73.659 -18.927 1.00 43.04 H new ATOM 0 HE2 LYS A 51 20.001 -73.306 -16.598 1.00 70.23 H new ATOM 0 HE3 LYS A 51 19.831 -71.574 -16.806 1.00 70.23 H new ATOM 0 HZ1 LYS A 51 17.686 -72.641 -16.546 1.00 3.13 H new ATOM 0 HZ2 LYS A 51 17.809 -71.955 -18.095 1.00 3.13 H new ATOM 0 HZ3 LYS A 51 17.974 -73.633 -17.893 1.00 3.13 H new ATOM 867 N VAL A 52 24.112 -75.198 -21.536 1.00 50.40 N ATOM 868 CA VAL A 52 24.506 -75.593 -22.883 1.00 41.30 C ATOM 869 C VAL A 52 23.287 -75.909 -23.742 1.00 31.22 C ATOM 870 O VAL A 52 22.374 -76.614 -23.309 1.00 65.45 O ATOM 871 CB VAL A 52 25.436 -76.821 -22.858 1.00 53.44 C ATOM 872 CG1 VAL A 52 24.741 -78.004 -22.202 1.00 13.41 C ATOM 873 CG2 VAL A 52 25.890 -77.173 -24.267 1.00 12.21 C ATOM 0 H VAL A 52 24.466 -75.806 -20.798 1.00 50.40 H new ATOM 0 HA VAL A 52 25.043 -74.749 -23.316 1.00 41.30 H new ATOM 0 HB VAL A 52 26.318 -76.576 -22.267 1.00 53.44 H new ATOM 0 HG11 VAL A 52 25.413 -78.862 -22.193 1.00 13.41 H new ATOM 0 HG12 VAL A 52 24.470 -77.745 -21.178 1.00 13.41 H new ATOM 0 HG13 VAL A 52 23.841 -78.254 -22.763 1.00 13.41 H new ATOM 0 HG21 VAL A 52 26.546 -78.043 -24.231 1.00 12.21 H new ATOM 0 HG22 VAL A 52 25.020 -77.400 -24.884 1.00 12.21 H new ATOM 0 HG23 VAL A 52 26.429 -76.329 -24.697 1.00 12.21 H new ATOM 883 N THR A 53 23.277 -75.383 -24.963 1.00 21.32 N ATOM 884 CA THR A 53 22.170 -75.609 -25.883 1.00 51.23 C ATOM 885 C THR A 53 22.340 -76.923 -26.637 1.00 20.14 C ATOM 886 O THR A 53 21.363 -77.527 -27.081 1.00 53.33 O ATOM 887 CB THR A 53 22.043 -74.460 -26.901 1.00 54.41 C ATOM 888 OG1 THR A 53 23.343 -73.992 -27.277 1.00 73.02 O ATOM 889 CG2 THR A 53 21.233 -73.310 -26.321 1.00 11.14 C ATOM 0 H THR A 53 24.024 -74.797 -25.337 1.00 21.32 H new ATOM 0 HA THR A 53 21.263 -75.654 -25.280 1.00 51.23 H new ATOM 0 HB THR A 53 21.526 -74.840 -27.782 1.00 54.41 H new ATOM 0 HG1 THR A 53 23.253 -73.263 -27.926 1.00 73.02 H new ATOM 0 HG21 THR A 53 21.157 -72.511 -27.058 1.00 11.14 H new ATOM 0 HG22 THR A 53 20.234 -73.662 -26.063 1.00 11.14 H new ATOM 0 HG23 THR A 53 21.727 -72.932 -25.426 1.00 11.14 H new ATOM 897 N LEU A 54 23.586 -77.362 -26.776 1.00 71.43 N ATOM 898 CA LEU A 54 23.884 -78.607 -27.476 1.00 23.32 C ATOM 899 C LEU A 54 23.073 -79.763 -26.900 1.00 21.52 C ATOM 900 O LEU A 54 22.737 -80.712 -27.608 1.00 24.53 O ATOM 901 CB LEU A 54 25.378 -78.922 -27.384 1.00 4.35 C ATOM 902 CG LEU A 54 26.303 -78.040 -28.224 1.00 0.25 C ATOM 903 CD1 LEU A 54 27.734 -78.134 -27.718 1.00 44.14 C ATOM 904 CD2 LEU A 54 26.227 -78.433 -29.692 1.00 34.35 C ATOM 0 H LEU A 54 24.406 -76.875 -26.414 1.00 71.43 H new ATOM 0 HA LEU A 54 23.609 -78.481 -28.523 1.00 23.32 H new ATOM 0 HB2 LEU A 54 25.682 -78.842 -26.340 1.00 4.35 H new ATOM 0 HB3 LEU A 54 25.529 -79.960 -27.682 1.00 4.35 H new ATOM 0 HG LEU A 54 25.973 -77.006 -28.128 1.00 0.25 H new ATOM 0 HD11 LEU A 54 28.378 -77.500 -28.328 1.00 44.14 H new ATOM 0 HD12 LEU A 54 27.776 -77.803 -26.680 1.00 44.14 H new ATOM 0 HD13 LEU A 54 28.076 -79.167 -27.783 1.00 44.14 H new ATOM 0 HD21 LEU A 54 26.892 -77.795 -30.274 1.00 34.35 H new ATOM 0 HD22 LEU A 54 26.531 -79.474 -29.806 1.00 34.35 H new ATOM 0 HD23 LEU A 54 25.204 -78.313 -30.048 1.00 34.35 H new ATOM 916 N ALA A 55 22.760 -79.676 -25.611 1.00 51.42 N ATOM 917 CA ALA A 55 21.984 -80.712 -24.941 1.00 64.12 C ATOM 918 C ALA A 55 20.650 -80.939 -25.643 1.00 14.14 C ATOM 919 O ALA A 55 20.086 -82.032 -25.586 1.00 54.30 O ATOM 920 CB ALA A 55 21.760 -80.343 -23.482 1.00 62.31 C ATOM 0 H ALA A 55 23.032 -78.898 -25.010 1.00 51.42 H new ATOM 0 HA ALA A 55 22.550 -81.642 -24.986 1.00 64.12 H new ATOM 0 HB1 ALA A 55 21.179 -81.126 -22.994 1.00 62.31 H new ATOM 0 HB2 ALA A 55 22.722 -80.239 -22.981 1.00 62.31 H new ATOM 0 HB3 ALA A 55 21.218 -79.399 -23.425 1.00 62.31 H new ATOM 926 N ASP A 56 20.149 -79.900 -26.302 1.00 64.04 N ATOM 927 CA ASP A 56 18.880 -79.986 -27.015 1.00 62.24 C ATOM 928 C ASP A 56 19.051 -80.718 -28.343 1.00 23.22 C ATOM 929 O ASP A 56 18.108 -81.317 -28.859 1.00 40.40 O ATOM 930 CB ASP A 56 18.312 -78.587 -27.260 1.00 20.43 C ATOM 931 CG ASP A 56 17.095 -78.606 -28.164 1.00 22.52 C ATOM 932 OD1 ASP A 56 16.103 -79.277 -27.810 1.00 32.24 O ATOM 933 OD2 ASP A 56 17.135 -77.950 -29.225 1.00 70.12 O ATOM 0 H ASP A 56 20.603 -78.988 -26.357 1.00 64.04 H new ATOM 0 HA ASP A 56 18.182 -80.550 -26.396 1.00 62.24 H new ATOM 0 HB2 ASP A 56 18.045 -78.134 -26.305 1.00 20.43 H new ATOM 0 HB3 ASP A 56 19.083 -77.958 -27.706 1.00 20.43 H new ATOM 938 N ALA A 57 20.261 -80.665 -28.890 1.00 41.14 N ATOM 939 CA ALA A 57 20.556 -81.323 -30.157 1.00 30.40 C ATOM 940 C ALA A 57 20.203 -82.806 -30.100 1.00 45.11 C ATOM 941 O ALA A 57 19.756 -83.386 -31.088 1.00 51.03 O ATOM 942 CB ALA A 57 22.023 -81.141 -30.518 1.00 31.24 C ATOM 0 H ALA A 57 21.053 -80.173 -28.476 1.00 41.14 H new ATOM 0 HA ALA A 57 19.943 -80.859 -30.930 1.00 30.40 H new ATOM 0 HB1 ALA A 57 22.229 -81.638 -31.466 1.00 31.24 H new ATOM 0 HB2 ALA A 57 22.246 -80.078 -30.609 1.00 31.24 H new ATOM 0 HB3 ALA A 57 22.647 -81.577 -29.737 1.00 31.24 H new ATOM 948 N GLY A 58 20.409 -83.414 -28.936 1.00 22.42 N ATOM 949 CA GLY A 58 20.108 -84.825 -28.772 1.00 44.44 C ATOM 950 C GLY A 58 18.676 -85.158 -29.140 1.00 21.35 C ATOM 951 O GLY A 58 18.390 -86.256 -29.617 1.00 74.24 O ATOM 0 H GLY A 58 20.779 -82.955 -28.103 1.00 22.42 H new ATOM 0 HA2 GLY A 58 20.785 -85.412 -29.392 1.00 44.44 H new ATOM 0 HA3 GLY A 58 20.291 -85.115 -27.737 1.00 44.44 H new ATOM 955 N PHE A 59 17.773 -84.210 -28.915 1.00 10.34 N ATOM 956 CA PHE A 59 16.362 -84.409 -29.222 1.00 73.45 C ATOM 957 C PHE A 59 16.142 -84.506 -30.729 1.00 61.04 C ATOM 958 O PHE A 59 15.185 -85.128 -31.189 1.00 70.01 O ATOM 959 CB PHE A 59 15.525 -83.265 -28.646 1.00 62.03 C ATOM 960 CG PHE A 59 14.066 -83.356 -28.992 1.00 44.30 C ATOM 961 CD1 PHE A 59 13.506 -82.492 -29.919 1.00 73.22 C ATOM 962 CD2 PHE A 59 13.256 -84.304 -28.389 1.00 73.14 C ATOM 963 CE1 PHE A 59 12.164 -82.573 -30.240 1.00 34.10 C ATOM 964 CE2 PHE A 59 11.913 -84.390 -28.706 1.00 63.04 C ATOM 965 CZ PHE A 59 11.366 -83.523 -29.632 1.00 2.31 C ATOM 0 H PHE A 59 17.994 -83.295 -28.521 1.00 10.34 H new ATOM 0 HA PHE A 59 16.046 -85.346 -28.765 1.00 73.45 H new ATOM 0 HB2 PHE A 59 15.633 -83.257 -27.561 1.00 62.03 H new ATOM 0 HB3 PHE A 59 15.919 -82.317 -29.013 1.00 62.03 H new ATOM 0 HD1 PHE A 59 14.125 -81.747 -30.396 1.00 73.22 H new ATOM 0 HD2 PHE A 59 13.678 -84.983 -27.663 1.00 73.14 H new ATOM 0 HE1 PHE A 59 11.740 -81.894 -30.965 1.00 34.10 H new ATOM 0 HE2 PHE A 59 11.292 -85.134 -28.230 1.00 63.04 H new ATOM 0 HZ PHE A 59 10.317 -83.588 -29.880 1.00 2.31 H new ATOM 975 N MET A 60 17.036 -83.885 -31.493 1.00 31.45 N ATOM 976 CA MET A 60 16.941 -83.902 -32.948 1.00 14.34 C ATOM 977 C MET A 60 16.805 -85.329 -33.468 1.00 24.34 C ATOM 978 O MET A 60 16.173 -85.569 -34.496 1.00 61.24 O ATOM 979 CB MET A 60 18.170 -83.235 -33.568 1.00 53.30 C ATOM 980 CG MET A 60 17.897 -82.598 -34.921 1.00 45.31 C ATOM 981 SD MET A 60 17.996 -83.781 -36.278 1.00 43.33 S ATOM 982 CE MET A 60 19.764 -84.056 -36.359 1.00 62.21 C ATOM 0 H MET A 60 17.834 -83.364 -31.128 1.00 31.45 H new ATOM 0 HA MET A 60 16.050 -83.344 -33.235 1.00 14.34 H new ATOM 0 HB2 MET A 60 18.543 -82.472 -32.885 1.00 53.30 H new ATOM 0 HB3 MET A 60 18.960 -83.978 -33.678 1.00 53.30 H new ATOM 0 HG2 MET A 60 16.906 -82.144 -34.911 1.00 45.31 H new ATOM 0 HG3 MET A 60 18.614 -81.795 -35.091 1.00 45.31 H new ATOM 0 HE1 MET A 60 20.027 -84.447 -37.342 1.00 62.21 H new ATOM 0 HE2 MET A 60 20.287 -83.114 -36.191 1.00 62.21 H new ATOM 0 HE3 MET A 60 20.056 -84.775 -35.593 1.00 62.21 H new ATOM 992 N LYS A 61 17.404 -86.275 -32.751 1.00 14.55 N ATOM 993 CA LYS A 61 17.350 -87.679 -33.138 1.00 73.13 C ATOM 994 C LYS A 61 15.910 -88.182 -33.163 1.00 53.34 C ATOM 995 O LYS A 61 15.538 -88.983 -34.020 1.00 40.35 O ATOM 996 CB LYS A 61 18.181 -88.528 -32.174 1.00 33.15 C ATOM 997 CG LYS A 61 18.456 -89.933 -32.682 1.00 13.33 C ATOM 998 CD LYS A 61 19.339 -89.916 -33.918 1.00 1.42 C ATOM 999 CE LYS A 61 19.752 -91.321 -34.327 1.00 42.03 C ATOM 1000 NZ LYS A 61 20.814 -91.305 -35.371 1.00 71.03 N ATOM 0 H LYS A 61 17.933 -86.093 -31.898 1.00 14.55 H new ATOM 0 HA LYS A 61 17.765 -87.769 -34.142 1.00 73.13 H new ATOM 0 HB2 LYS A 61 19.130 -88.026 -31.987 1.00 33.15 H new ATOM 0 HB3 LYS A 61 17.661 -88.592 -31.218 1.00 33.15 H new ATOM 0 HG2 LYS A 61 18.938 -90.517 -31.898 1.00 13.33 H new ATOM 0 HG3 LYS A 61 17.513 -90.428 -32.914 1.00 13.33 H new ATOM 0 HD2 LYS A 61 18.806 -89.438 -34.740 1.00 1.42 H new ATOM 0 HD3 LYS A 61 20.228 -89.316 -33.723 1.00 1.42 H new ATOM 0 HE2 LYS A 61 20.111 -91.863 -33.452 1.00 42.03 H new ATOM 0 HE3 LYS A 61 18.882 -91.861 -34.702 1.00 42.03 H new ATOM 0 HZ1 LYS A 61 21.068 -92.282 -35.623 1.00 71.03 H new ATOM 0 HZ2 LYS A 61 20.463 -90.810 -36.216 1.00 71.03 H new ATOM 0 HZ3 LYS A 61 21.654 -90.812 -35.005 1.00 71.03 H new ATOM 1014 N GLN A 62 15.105 -87.705 -32.219 1.00 52.24 N ATOM 1015 CA GLN A 62 13.705 -88.106 -32.135 1.00 65.20 C ATOM 1016 C GLN A 62 12.860 -87.350 -33.154 1.00 52.41 C ATOM 1017 O GLN A 62 11.819 -87.837 -33.595 1.00 54.54 O ATOM 1018 CB GLN A 62 13.167 -87.861 -30.725 1.00 13.44 C ATOM 1019 CG GLN A 62 12.151 -88.897 -30.272 1.00 63.51 C ATOM 1020 CD GLN A 62 11.188 -88.357 -29.234 1.00 1.22 C ATOM 1021 OE1 GLN A 62 11.549 -88.173 -28.071 1.00 63.40 O ATOM 1022 NE2 GLN A 62 9.954 -88.098 -29.649 1.00 53.11 N ATOM 0 H GLN A 62 15.398 -87.041 -31.502 1.00 52.24 H new ATOM 0 HA GLN A 62 13.644 -89.171 -32.359 1.00 65.20 H new ATOM 0 HB2 GLN A 62 14.001 -87.852 -30.024 1.00 13.44 H new ATOM 0 HB3 GLN A 62 12.708 -86.873 -30.687 1.00 13.44 H new ATOM 0 HG2 GLN A 62 11.587 -89.249 -31.136 1.00 63.51 H new ATOM 0 HG3 GLN A 62 12.676 -89.759 -29.861 1.00 63.51 H new ATOM 0 HE21 GLN A 62 9.697 -88.265 -30.622 1.00 53.11 H new ATOM 0 HE22 GLN A 62 9.262 -87.732 -28.995 1.00 53.11 H new ATOM 1031 N TYR A 63 13.314 -86.157 -33.523 1.00 73.11 N ATOM 1032 CA TYR A 63 12.597 -85.332 -34.488 1.00 42.22 C ATOM 1033 C TYR A 63 12.327 -86.107 -35.774 1.00 21.30 C ATOM 1034 O TYR A 63 11.297 -85.920 -36.421 1.00 23.44 O ATOM 1035 CB TYR A 63 13.397 -84.066 -34.801 1.00 52.14 C ATOM 1036 CG TYR A 63 12.675 -83.105 -35.719 1.00 72.20 C ATOM 1037 CD1 TYR A 63 13.114 -82.894 -37.020 1.00 43.02 C ATOM 1038 CD2 TYR A 63 11.554 -82.408 -35.285 1.00 23.12 C ATOM 1039 CE1 TYR A 63 12.458 -82.017 -37.862 1.00 44.31 C ATOM 1040 CE2 TYR A 63 10.891 -81.530 -36.120 1.00 63.11 C ATOM 1041 CZ TYR A 63 11.347 -81.338 -37.408 1.00 2.44 C ATOM 1042 OH TYR A 63 10.690 -80.463 -38.242 1.00 43.33 O ATOM 0 H TYR A 63 14.175 -85.740 -33.169 1.00 73.11 H new ATOM 0 HA TYR A 63 11.640 -85.051 -34.048 1.00 42.22 H new ATOM 0 HB2 TYR A 63 13.633 -83.555 -33.867 1.00 52.14 H new ATOM 0 HB3 TYR A 63 14.345 -84.349 -35.258 1.00 52.14 H new ATOM 0 HD1 TYR A 63 13.983 -83.425 -37.379 1.00 43.02 H new ATOM 0 HD2 TYR A 63 11.195 -82.555 -34.277 1.00 23.12 H new ATOM 0 HE1 TYR A 63 12.813 -81.864 -38.870 1.00 44.31 H new ATOM 0 HE2 TYR A 63 10.021 -80.997 -35.767 1.00 63.11 H new ATOM 0 HH TYR A 63 9.928 -80.069 -37.768 1.00 43.33 H new ATOM 1052 N GLY A 64 13.262 -86.980 -36.138 1.00 75.43 N ATOM 1053 CA GLY A 64 13.107 -87.772 -37.344 1.00 72.44 C ATOM 1054 C GLY A 64 12.431 -89.103 -37.081 1.00 72.43 C ATOM 1055 O GLY A 64 12.974 -89.954 -36.377 1.00 42.40 O ATOM 0 H GLY A 64 14.123 -87.153 -35.619 1.00 75.43 H new ATOM 0 HA2 GLY A 64 12.523 -87.209 -38.072 1.00 72.44 H new ATOM 0 HA3 GLY A 64 14.087 -87.947 -37.788 1.00 72.44 H new ATOM 1059 N GLU A 65 11.241 -89.284 -37.647 1.00 44.42 N ATOM 1060 CA GLU A 65 10.490 -90.520 -37.467 1.00 70.21 C ATOM 1061 C GLU A 65 11.268 -91.714 -38.013 1.00 51.03 C ATOM 1062 O GLU A 65 10.712 -92.796 -38.201 1.00 42.31 O ATOM 1063 CB GLU A 65 9.130 -90.422 -38.162 1.00 22.52 C ATOM 1064 CG GLU A 65 9.227 -90.259 -39.669 1.00 42.33 C ATOM 1065 CD GLU A 65 9.193 -88.806 -40.102 1.00 12.44 C ATOM 1066 OE1 GLU A 65 8.118 -88.342 -40.538 1.00 21.42 O ATOM 1067 OE2 GLU A 65 10.240 -88.132 -40.004 1.00 73.12 O ATOM 0 H GLU A 65 10.777 -88.590 -38.234 1.00 44.42 H new ATOM 0 HA GLU A 65 10.334 -90.668 -36.398 1.00 70.21 H new ATOM 0 HB2 GLU A 65 8.552 -91.319 -37.939 1.00 22.52 H new ATOM 0 HB3 GLU A 65 8.580 -89.577 -37.748 1.00 22.52 H new ATOM 0 HG2 GLU A 65 10.151 -90.718 -40.022 1.00 42.33 H new ATOM 0 HG3 GLU A 65 8.404 -90.795 -40.142 1.00 42.33 H new TER 1074 GLU A 65