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 27 ASN : amide:sc= -0.406 K(o=-0.08,f=-2.1!) USER MOD Set 1.2: A 30 GLN : amide:sc= 0.326 X(o=-0.08,f=-0.15) USER MOD Set 2.1: A 21 LYS NZ :NH3+ 168:sc= 1.58 (180deg=1.28) USER MOD Set 2.2: A 22 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 10 GLN : amide:sc= -1.53 K(o=-4.3,f=-7.5!) USER MOD Set 3.2: A 13 GLN : amide:sc= -2.75 K(o=-4.3,f=-8.5!) USER MOD Single : A 3 ASN : amide:sc= -0.258 K(o=-0.26,f=-4.2!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0794) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -63:sc= 0.182 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.193 USER MOD Single : A 34 SER OG : rot 180:sc= -0.281 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -99:sc= 0.225 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= -0.111 USER MOD Single : A 50 ASN : amide:sc= -0.365 X(o=-0.37,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -155:sc= -0.0467 (180deg=-0.406) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -164:sc= -0.044 (180deg=-0.387) USER MOD Single : A 62 GLN : amide:sc= -0.276 X(o=-0.28,f=-0.19) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -1.384 -11.628 -16.319 1.00 13.14 N ATOM 2 CA PRO A 1 -2.141 -12.702 -15.668 1.00 40.13 C ATOM 3 C PRO A 1 -2.156 -12.564 -14.150 1.00 4.42 C ATOM 4 O PRO A 1 -3.043 -13.089 -13.478 1.00 30.32 O ATOM 5 CB PRO A 1 -1.387 -13.968 -16.083 1.00 20.03 C ATOM 6 CG PRO A 1 0.002 -13.507 -16.363 1.00 32.32 C ATOM 7 CD PRO A 1 -0.127 -12.113 -16.912 1.00 73.52 C ATOM 0 H2 PRO A 1 -1.177 -10.899 -15.637 1.00 13.14 H new ATOM 0 H3 PRO A 1 -1.959 -11.202 -17.046 1.00 13.14 H new ATOM 0 HA PRO A 1 -3.190 -12.698 -15.963 1.00 40.13 H new ATOM 0 HB2 PRO A 1 -1.404 -14.716 -15.291 1.00 20.03 H new ATOM 0 HB3 PRO A 1 -1.837 -14.426 -16.964 1.00 20.03 H new ATOM 0 HG2 PRO A 1 0.606 -13.515 -15.456 1.00 32.32 H new ATOM 0 HG3 PRO A 1 0.494 -14.165 -17.079 1.00 32.32 H new ATOM 0 HD2 PRO A 1 0.719 -11.489 -16.626 1.00 73.52 H new ATOM 0 HD3 PRO A 1 -0.170 -12.112 -18.001 1.00 73.52 H new ATOM 15 N ARG A 2 -1.168 -11.853 -13.616 1.00 1.25 N ATOM 16 CA ARG A 2 -1.067 -11.646 -12.176 1.00 34.22 C ATOM 17 C ARG A 2 -0.972 -12.980 -11.441 1.00 12.15 C ATOM 18 O ARG A 2 -1.354 -13.086 -10.276 1.00 23.31 O ATOM 19 CB ARG A 2 -2.275 -10.856 -11.667 1.00 24.20 C ATOM 20 CG ARG A 2 -2.131 -9.352 -11.831 1.00 51.01 C ATOM 21 CD ARG A 2 -2.145 -8.948 -13.297 1.00 12.41 C ATOM 22 NE ARG A 2 -0.806 -8.954 -13.879 1.00 61.34 N ATOM 23 CZ ARG A 2 -0.513 -8.408 -15.054 1.00 62.24 C ATOM 24 NH1 ARG A 2 -1.460 -7.815 -15.768 1.00 4.31 N ATOM 25 NH2 ARG A 2 0.730 -8.455 -15.517 1.00 52.25 N ATOM 0 H ARG A 2 -0.426 -11.411 -14.159 1.00 1.25 H new ATOM 0 HA ARG A 2 -0.159 -11.076 -11.978 1.00 34.22 H new ATOM 0 HB2 ARG A 2 -3.166 -11.188 -12.200 1.00 24.20 H new ATOM 0 HB3 ARG A 2 -2.430 -11.085 -10.613 1.00 24.20 H new ATOM 0 HG2 ARG A 2 -2.942 -8.848 -11.306 1.00 51.01 H new ATOM 0 HG3 ARG A 2 -1.200 -9.022 -11.370 1.00 51.01 H new ATOM 0 HD2 ARG A 2 -2.786 -9.631 -13.855 1.00 12.41 H new ATOM 0 HD3 ARG A 2 -2.578 -7.953 -13.395 1.00 12.41 H new ATOM 0 HE ARG A 2 -0.054 -9.402 -13.355 1.00 61.34 H new ATOM 0 HH11 ARG A 2 -2.416 -7.777 -15.415 1.00 4.31 H new ATOM 0 HH12 ARG A 2 -1.232 -7.397 -16.670 1.00 4.31 H new ATOM 0 HH21 ARG A 2 1.461 -8.911 -14.971 1.00 52.25 H new ATOM 0 HH22 ARG A 2 0.954 -8.036 -16.419 1.00 52.25 H new ATOM 39 N ASN A 3 -0.461 -13.995 -12.130 1.00 41.40 N ATOM 40 CA ASN A 3 -0.317 -15.322 -11.543 1.00 4.11 C ATOM 41 C ASN A 3 1.108 -15.545 -11.046 1.00 4.33 C ATOM 42 O ASN A 3 1.598 -16.674 -11.015 1.00 64.22 O ATOM 43 CB ASN A 3 -0.686 -16.398 -12.566 1.00 43.22 C ATOM 44 CG ASN A 3 0.260 -16.418 -13.751 1.00 43.52 C ATOM 45 OD1 ASN A 3 1.096 -15.527 -13.907 1.00 61.23 O ATOM 46 ND2 ASN A 3 0.132 -17.436 -14.594 1.00 21.15 N ATOM 0 H ASN A 3 -0.140 -13.924 -13.095 1.00 41.40 H new ATOM 0 HA ASN A 3 -0.995 -15.391 -10.692 1.00 4.11 H new ATOM 0 HB2 ASN A 3 -0.678 -17.374 -12.081 1.00 43.22 H new ATOM 0 HB3 ASN A 3 -1.703 -16.226 -12.919 1.00 43.22 H new ATOM 0 HD21 ASN A 3 0.740 -17.502 -15.410 1.00 21.15 H new ATOM 0 HD22 ASN A 3 -0.575 -18.152 -14.425 1.00 21.15 H new ATOM 53 N THR A 4 1.770 -14.459 -10.656 1.00 31.44 N ATOM 54 CA THR A 4 3.138 -14.535 -10.160 1.00 64.31 C ATOM 55 C THR A 4 3.177 -15.059 -8.729 1.00 12.20 C ATOM 56 O THR A 4 4.177 -15.630 -8.294 1.00 35.33 O ATOM 57 CB THR A 4 3.831 -13.160 -10.210 1.00 61.44 C ATOM 58 OG1 THR A 4 5.180 -13.274 -9.744 1.00 22.20 O ATOM 59 CG2 THR A 4 3.080 -12.145 -9.363 1.00 1.31 C ATOM 0 H THR A 4 1.380 -13.517 -10.674 1.00 31.44 H new ATOM 0 HA THR A 4 3.672 -15.227 -10.812 1.00 64.31 H new ATOM 0 HB THR A 4 3.833 -12.816 -11.244 1.00 61.44 H new ATOM 0 HG1 THR A 4 5.614 -12.396 -9.780 1.00 22.20 H new ATOM 0 HG21 THR A 4 3.588 -11.182 -9.414 1.00 1.31 H new ATOM 0 HG22 THR A 4 2.062 -12.039 -9.739 1.00 1.31 H new ATOM 0 HG23 THR A 4 3.050 -12.486 -8.328 1.00 1.31 H new ATOM 67 N ARG A 5 2.082 -14.861 -8.002 1.00 1.22 N ATOM 68 CA ARG A 5 1.991 -15.313 -6.619 1.00 24.12 C ATOM 69 C ARG A 5 1.723 -16.814 -6.554 1.00 4.20 C ATOM 70 O ARG A 5 2.098 -17.479 -5.589 1.00 71.31 O ATOM 71 CB ARG A 5 0.885 -14.554 -5.883 1.00 62.43 C ATOM 72 CG ARG A 5 0.977 -13.045 -6.036 1.00 11.14 C ATOM 73 CD ARG A 5 -0.108 -12.338 -5.239 1.00 54.31 C ATOM 74 NE ARG A 5 -1.429 -12.909 -5.487 1.00 34.23 N ATOM 75 CZ ARG A 5 -2.136 -12.677 -6.587 1.00 70.23 C ATOM 76 NH1 ARG A 5 -1.650 -11.890 -7.537 1.00 55.21 N ATOM 77 NH2 ARG A 5 -3.331 -13.234 -6.740 1.00 2.02 N ATOM 0 H ARG A 5 1.246 -14.391 -8.348 1.00 1.22 H new ATOM 0 HA ARG A 5 2.946 -15.110 -6.134 1.00 24.12 H new ATOM 0 HB2 ARG A 5 -0.083 -14.890 -6.254 1.00 62.43 H new ATOM 0 HB3 ARG A 5 0.926 -14.807 -4.823 1.00 62.43 H new ATOM 0 HG2 ARG A 5 1.957 -12.703 -5.702 1.00 11.14 H new ATOM 0 HG3 ARG A 5 0.889 -12.779 -7.089 1.00 11.14 H new ATOM 0 HD2 ARG A 5 0.122 -12.404 -4.176 1.00 54.31 H new ATOM 0 HD3 ARG A 5 -0.116 -11.279 -5.498 1.00 54.31 H new ATOM 0 HE ARG A 5 -1.831 -13.520 -4.776 1.00 34.23 H new ATOM 0 HH11 ARG A 5 -0.731 -11.461 -7.424 1.00 55.21 H new ATOM 0 HH12 ARG A 5 -2.195 -11.713 -8.381 1.00 55.21 H new ATOM 0 HH21 ARG A 5 -3.708 -13.841 -6.012 1.00 2.02 H new ATOM 0 HH22 ARG A 5 -3.873 -13.055 -7.585 1.00 2.02 H new ATOM 91 N GLU A 6 1.073 -17.339 -7.587 1.00 55.24 N ATOM 92 CA GLU A 6 0.754 -18.760 -7.646 1.00 74.52 C ATOM 93 C GLU A 6 1.929 -19.559 -8.203 1.00 73.10 C ATOM 94 O GLU A 6 2.363 -20.544 -7.606 1.00 31.20 O ATOM 95 CB GLU A 6 -0.489 -18.992 -8.509 1.00 1.14 C ATOM 96 CG GLU A 6 -1.740 -18.321 -7.966 1.00 62.23 C ATOM 97 CD GLU A 6 -3.013 -18.902 -8.550 1.00 30.42 C ATOM 98 OE1 GLU A 6 -4.022 -18.169 -8.619 1.00 22.20 O ATOM 99 OE2 GLU A 6 -3.001 -20.089 -8.937 1.00 31.41 O ATOM 0 H GLU A 6 0.757 -16.802 -8.394 1.00 55.24 H new ATOM 0 HA GLU A 6 0.552 -19.103 -6.631 1.00 74.52 H new ATOM 0 HB2 GLU A 6 -0.296 -18.622 -9.516 1.00 1.14 H new ATOM 0 HB3 GLU A 6 -0.669 -20.064 -8.592 1.00 1.14 H new ATOM 0 HG2 GLU A 6 -1.762 -18.425 -6.881 1.00 62.23 H new ATOM 0 HG3 GLU A 6 -1.699 -17.254 -8.183 1.00 62.23 H new ATOM 106 N VAL A 7 2.439 -19.127 -9.352 1.00 73.00 N ATOM 107 CA VAL A 7 3.564 -19.800 -9.990 1.00 75.24 C ATOM 108 C VAL A 7 4.706 -20.016 -9.005 1.00 3.34 C ATOM 109 O VAL A 7 5.440 -21.001 -9.093 1.00 54.33 O ATOM 110 CB VAL A 7 4.086 -18.999 -11.198 1.00 13.34 C ATOM 111 CG1 VAL A 7 4.636 -17.654 -10.748 1.00 52.31 C ATOM 112 CG2 VAL A 7 5.144 -19.794 -11.947 1.00 4.34 C ATOM 0 H VAL A 7 2.091 -18.314 -9.860 1.00 73.00 H new ATOM 0 HA VAL A 7 3.199 -20.767 -10.336 1.00 75.24 H new ATOM 0 HB VAL A 7 3.254 -18.815 -11.878 1.00 13.34 H new ATOM 0 HG11 VAL A 7 5.000 -17.102 -11.614 1.00 52.31 H new ATOM 0 HG12 VAL A 7 3.846 -17.083 -10.259 1.00 52.31 H new ATOM 0 HG13 VAL A 7 5.456 -17.812 -10.047 1.00 52.31 H new ATOM 0 HG21 VAL A 7 5.502 -19.213 -12.797 1.00 4.34 H new ATOM 0 HG22 VAL A 7 5.978 -20.010 -11.279 1.00 4.34 H new ATOM 0 HG23 VAL A 7 4.712 -20.729 -12.303 1.00 4.34 H new ATOM 122 N PHE A 8 4.852 -19.088 -8.064 1.00 42.14 N ATOM 123 CA PHE A 8 5.907 -19.176 -7.061 1.00 13.31 C ATOM 124 C PHE A 8 5.875 -20.529 -6.356 1.00 3.52 C ATOM 125 O PHE A 8 6.910 -21.046 -5.937 1.00 62.43 O ATOM 126 CB PHE A 8 5.759 -18.050 -6.035 1.00 52.23 C ATOM 127 CG PHE A 8 6.721 -18.155 -4.887 1.00 33.24 C ATOM 128 CD1 PHE A 8 7.967 -17.554 -4.952 1.00 63.12 C ATOM 129 CD2 PHE A 8 6.379 -18.856 -3.741 1.00 75.13 C ATOM 130 CE1 PHE A 8 8.855 -17.649 -3.897 1.00 12.23 C ATOM 131 CE2 PHE A 8 7.262 -18.954 -2.683 1.00 14.13 C ATOM 132 CZ PHE A 8 8.502 -18.351 -2.761 1.00 13.41 C ATOM 0 H PHE A 8 4.253 -18.267 -7.975 1.00 42.14 H new ATOM 0 HA PHE A 8 6.866 -19.073 -7.568 1.00 13.31 H new ATOM 0 HB2 PHE A 8 5.905 -17.092 -6.535 1.00 52.23 H new ATOM 0 HB3 PHE A 8 4.741 -18.055 -5.647 1.00 52.23 H new ATOM 0 HD1 PHE A 8 8.248 -17.004 -5.838 1.00 63.12 H new ATOM 0 HD2 PHE A 8 5.411 -19.331 -3.674 1.00 75.13 H new ATOM 0 HE1 PHE A 8 9.823 -17.175 -3.961 1.00 12.23 H new ATOM 0 HE2 PHE A 8 6.983 -19.502 -1.795 1.00 14.13 H new ATOM 0 HZ PHE A 8 9.194 -18.428 -1.936 1.00 13.41 H new ATOM 142 N ALA A 9 4.680 -21.095 -6.228 1.00 12.21 N ATOM 143 CA ALA A 9 4.513 -22.387 -5.575 1.00 74.44 C ATOM 144 C ALA A 9 5.380 -23.453 -6.237 1.00 53.25 C ATOM 145 O ALA A 9 5.747 -24.445 -5.609 1.00 35.21 O ATOM 146 CB ALA A 9 3.050 -22.805 -5.599 1.00 32.13 C ATOM 0 H ALA A 9 3.813 -20.679 -6.568 1.00 12.21 H new ATOM 0 HA ALA A 9 4.834 -22.287 -4.538 1.00 74.44 H new ATOM 0 HB1 ALA A 9 2.940 -23.772 -5.108 1.00 32.13 H new ATOM 0 HB2 ALA A 9 2.450 -22.061 -5.074 1.00 32.13 H new ATOM 0 HB3 ALA A 9 2.710 -22.882 -6.632 1.00 32.13 H new ATOM 152 N GLN A 10 5.703 -23.240 -7.509 1.00 75.21 N ATOM 153 CA GLN A 10 6.525 -24.184 -8.256 1.00 25.21 C ATOM 154 C GLN A 10 7.812 -24.500 -7.501 1.00 64.20 C ATOM 155 O GLN A 10 8.356 -25.599 -7.613 1.00 20.23 O ATOM 156 CB GLN A 10 6.857 -23.621 -9.639 1.00 73.42 C ATOM 157 CG GLN A 10 7.888 -22.505 -9.611 1.00 23.22 C ATOM 158 CD GLN A 10 9.306 -23.016 -9.778 1.00 73.11 C ATOM 159 OE1 GLN A 10 9.551 -23.971 -10.516 1.00 34.24 O ATOM 160 NE2 GLN A 10 10.249 -22.381 -9.092 1.00 50.15 N ATOM 0 H GLN A 10 5.408 -22.423 -8.043 1.00 75.21 H new ATOM 0 HA GLN A 10 5.958 -25.107 -8.374 1.00 25.21 H new ATOM 0 HB2 GLN A 10 7.225 -24.429 -10.272 1.00 73.42 H new ATOM 0 HB3 GLN A 10 5.942 -23.247 -10.099 1.00 73.42 H new ATOM 0 HG2 GLN A 10 7.667 -21.791 -10.405 1.00 23.22 H new ATOM 0 HG3 GLN A 10 7.809 -21.966 -8.667 1.00 23.22 H new ATOM 0 HE21 GLN A 10 10.001 -21.594 -8.492 1.00 50.15 H new ATOM 0 HE22 GLN A 10 11.221 -22.680 -9.165 1.00 50.15 H new ATOM 169 N VAL A 11 8.296 -23.529 -6.732 1.00 74.33 N ATOM 170 CA VAL A 11 9.519 -23.704 -5.958 1.00 74.11 C ATOM 171 C VAL A 11 9.432 -24.937 -5.065 1.00 43.23 C ATOM 172 O VAL A 11 10.451 -25.490 -4.651 1.00 3.44 O ATOM 173 CB VAL A 11 9.811 -22.470 -5.084 1.00 33.11 C ATOM 174 CG1 VAL A 11 9.948 -21.225 -5.947 1.00 4.14 C ATOM 175 CG2 VAL A 11 8.720 -22.287 -4.040 1.00 31.24 C ATOM 0 H VAL A 11 7.859 -22.613 -6.629 1.00 74.33 H new ATOM 0 HA VAL A 11 10.331 -23.834 -6.673 1.00 74.11 H new ATOM 0 HB VAL A 11 10.756 -22.629 -4.565 1.00 33.11 H new ATOM 0 HG11 VAL A 11 10.154 -20.363 -5.312 1.00 4.14 H new ATOM 0 HG12 VAL A 11 10.767 -21.360 -6.653 1.00 4.14 H new ATOM 0 HG13 VAL A 11 9.021 -21.058 -6.495 1.00 4.14 H new ATOM 0 HG21 VAL A 11 8.942 -21.411 -3.431 1.00 31.24 H new ATOM 0 HG22 VAL A 11 7.760 -22.149 -4.537 1.00 31.24 H new ATOM 0 HG23 VAL A 11 8.675 -23.170 -3.402 1.00 31.24 H new ATOM 185 N LYS A 12 8.209 -25.364 -4.773 1.00 33.14 N ATOM 186 CA LYS A 12 7.987 -26.533 -3.930 1.00 61.31 C ATOM 187 C LYS A 12 8.555 -27.790 -4.582 1.00 44.54 C ATOM 188 O LYS A 12 8.733 -28.814 -3.925 1.00 22.34 O ATOM 189 CB LYS A 12 6.492 -26.717 -3.661 1.00 31.51 C ATOM 190 CG LYS A 12 5.920 -25.702 -2.687 1.00 55.12 C ATOM 191 CD LYS A 12 6.524 -25.856 -1.302 1.00 2.43 C ATOM 192 CE LYS A 12 5.783 -25.014 -0.274 1.00 23.33 C ATOM 193 NZ LYS A 12 4.446 -25.584 0.049 1.00 53.31 N ATOM 0 H LYS A 12 7.355 -24.918 -5.108 1.00 33.14 H new ATOM 0 HA LYS A 12 8.503 -26.370 -2.984 1.00 61.31 H new ATOM 0 HB2 LYS A 12 5.950 -26.648 -4.604 1.00 31.51 H new ATOM 0 HB3 LYS A 12 6.323 -27.720 -3.269 1.00 31.51 H new ATOM 0 HG2 LYS A 12 6.109 -24.694 -3.057 1.00 55.12 H new ATOM 0 HG3 LYS A 12 4.838 -25.822 -2.628 1.00 55.12 H new ATOM 0 HD2 LYS A 12 6.494 -26.904 -1.005 1.00 2.43 H new ATOM 0 HD3 LYS A 12 7.573 -25.562 -1.327 1.00 2.43 H new ATOM 0 HE2 LYS A 12 6.378 -24.945 0.637 1.00 23.33 H new ATOM 0 HE3 LYS A 12 5.663 -23.999 -0.654 1.00 23.33 H new ATOM 0 HZ1 LYS A 12 4.059 -25.108 0.889 1.00 53.31 H new ATOM 0 HZ2 LYS A 12 3.804 -25.441 -0.756 1.00 53.31 H new ATOM 0 HZ3 LYS A 12 4.540 -26.602 0.240 1.00 53.31 H new ATOM 207 N GLN A 13 8.839 -27.702 -5.878 1.00 4.52 N ATOM 208 CA GLN A 13 9.389 -28.832 -6.617 1.00 55.24 C ATOM 209 C GLN A 13 10.665 -29.344 -5.959 1.00 63.44 C ATOM 210 O GLN A 13 11.054 -30.496 -6.150 1.00 60.25 O ATOM 211 CB GLN A 13 9.673 -28.431 -8.066 1.00 12.20 C ATOM 212 CG GLN A 13 11.086 -27.918 -8.289 1.00 65.31 C ATOM 213 CD GLN A 13 11.278 -26.499 -7.793 1.00 13.30 C ATOM 214 OE1 GLN A 13 11.779 -26.276 -6.690 1.00 73.33 O ATOM 215 NE2 GLN A 13 10.879 -25.528 -8.607 1.00 32.13 N ATOM 0 H GLN A 13 8.697 -26.861 -6.437 1.00 4.52 H new ATOM 0 HA GLN A 13 8.651 -29.634 -6.607 1.00 55.24 H new ATOM 0 HB2 GLN A 13 9.501 -29.291 -8.713 1.00 12.20 H new ATOM 0 HB3 GLN A 13 8.964 -27.660 -8.367 1.00 12.20 H new ATOM 0 HG2 GLN A 13 11.791 -28.575 -7.780 1.00 65.31 H new ATOM 0 HG3 GLN A 13 11.320 -27.962 -9.353 1.00 65.31 H new ATOM 0 HE21 GLN A 13 10.469 -25.758 -9.512 1.00 32.13 H new ATOM 0 HE22 GLN A 13 10.983 -24.553 -8.327 1.00 32.13 H new ATOM 224 N MET A 14 11.313 -28.481 -5.184 1.00 63.02 N ATOM 225 CA MET A 14 12.546 -28.848 -4.497 1.00 43.42 C ATOM 226 C MET A 14 12.350 -30.111 -3.665 1.00 10.43 C ATOM 227 O MET A 14 11.491 -30.158 -2.784 1.00 0.42 O ATOM 228 CB MET A 14 13.017 -27.700 -3.601 1.00 74.22 C ATOM 229 CG MET A 14 13.931 -26.713 -4.308 1.00 54.51 C ATOM 230 SD MET A 14 14.980 -25.796 -3.164 1.00 3.11 S ATOM 231 CE MET A 14 14.075 -24.256 -3.034 1.00 43.31 C ATOM 0 H MET A 14 11.005 -27.523 -5.016 1.00 63.02 H new ATOM 0 HA MET A 14 13.307 -29.046 -5.251 1.00 43.42 H new ATOM 0 HB2 MET A 14 12.146 -27.167 -3.219 1.00 74.22 H new ATOM 0 HB3 MET A 14 13.540 -28.114 -2.739 1.00 74.22 H new ATOM 0 HG2 MET A 14 14.558 -27.250 -5.019 1.00 54.51 H new ATOM 0 HG3 MET A 14 13.326 -26.011 -4.883 1.00 54.51 H new ATOM 0 HE1 MET A 14 14.600 -23.581 -2.358 1.00 43.31 H new ATOM 0 HE2 MET A 14 13.998 -23.795 -4.019 1.00 43.31 H new ATOM 0 HE3 MET A 14 13.076 -24.453 -2.646 1.00 43.31 H new ATOM 241 N TYR A 15 13.150 -31.132 -3.949 1.00 44.34 N ATOM 242 CA TYR A 15 13.062 -32.396 -3.229 1.00 23.04 C ATOM 243 C TYR A 15 14.452 -32.958 -2.943 1.00 34.04 C ATOM 244 O TYR A 15 14.630 -34.169 -2.811 1.00 71.12 O ATOM 245 CB TYR A 15 12.246 -33.409 -4.032 1.00 75.40 C ATOM 246 CG TYR A 15 12.980 -33.964 -5.232 1.00 54.30 C ATOM 247 CD1 TYR A 15 13.272 -33.157 -6.325 1.00 62.53 C ATOM 248 CD2 TYR A 15 13.380 -35.294 -5.273 1.00 52.52 C ATOM 249 CE1 TYR A 15 13.942 -33.660 -7.424 1.00 41.42 C ATOM 250 CE2 TYR A 15 14.051 -35.804 -6.367 1.00 45.22 C ATOM 251 CZ TYR A 15 14.330 -34.983 -7.440 1.00 61.12 C ATOM 252 OH TYR A 15 14.998 -35.488 -8.532 1.00 54.04 O ATOM 0 H TYR A 15 13.868 -31.109 -4.674 1.00 44.34 H new ATOM 0 HA TYR A 15 12.562 -32.209 -2.278 1.00 23.04 H new ATOM 0 HB2 TYR A 15 11.961 -34.233 -3.378 1.00 75.40 H new ATOM 0 HB3 TYR A 15 11.324 -32.935 -4.368 1.00 75.40 H new ATOM 0 HD1 TYR A 15 12.970 -32.120 -6.315 1.00 62.53 H new ATOM 0 HD2 TYR A 15 13.162 -35.940 -4.435 1.00 52.52 H new ATOM 0 HE1 TYR A 15 14.161 -33.020 -8.266 1.00 41.42 H new ATOM 0 HE2 TYR A 15 14.356 -36.840 -6.382 1.00 45.22 H new ATOM 0 HH TYR A 15 15.200 -36.435 -8.383 1.00 54.04 H new ATOM 262 N LYS A 16 15.434 -32.069 -2.847 1.00 0.33 N ATOM 263 CA LYS A 16 16.808 -32.472 -2.574 1.00 64.43 C ATOM 264 C LYS A 16 16.901 -33.229 -1.253 1.00 64.33 C ATOM 265 O LYS A 16 17.161 -32.639 -0.204 1.00 64.21 O ATOM 266 CB LYS A 16 17.724 -31.247 -2.538 1.00 0.23 C ATOM 267 CG LYS A 16 18.243 -30.835 -3.904 1.00 45.51 C ATOM 268 CD LYS A 16 17.116 -30.379 -4.815 1.00 51.11 C ATOM 269 CE LYS A 16 17.645 -29.893 -6.156 1.00 15.42 C ATOM 270 NZ LYS A 16 17.866 -31.018 -7.106 1.00 55.30 N ATOM 0 H LYS A 16 15.304 -31.063 -2.954 1.00 0.33 H new ATOM 0 HA LYS A 16 17.131 -33.135 -3.376 1.00 64.43 H new ATOM 0 HB2 LYS A 16 17.181 -30.411 -2.098 1.00 0.23 H new ATOM 0 HB3 LYS A 16 18.571 -31.456 -1.885 1.00 0.23 H new ATOM 0 HG2 LYS A 16 18.969 -30.030 -3.791 1.00 45.51 H new ATOM 0 HG3 LYS A 16 18.767 -31.674 -4.363 1.00 45.51 H new ATOM 0 HD2 LYS A 16 16.420 -31.202 -4.974 1.00 51.11 H new ATOM 0 HD3 LYS A 16 16.557 -29.578 -4.331 1.00 51.11 H new ATOM 0 HE2 LYS A 16 16.939 -29.185 -6.590 1.00 15.42 H new ATOM 0 HE3 LYS A 16 18.582 -29.357 -6.004 1.00 15.42 H new ATOM 0 HZ1 LYS A 16 18.226 -30.645 -8.008 1.00 55.30 H new ATOM 0 HZ2 LYS A 16 18.559 -31.681 -6.704 1.00 55.30 H new ATOM 0 HZ3 LYS A 16 16.967 -31.514 -7.271 1.00 55.30 H new ATOM 284 N THR A 17 16.689 -34.540 -1.311 1.00 72.42 N ATOM 285 CA THR A 17 16.749 -35.378 -0.120 1.00 0.10 C ATOM 286 C THR A 17 17.465 -36.692 -0.408 1.00 23.44 C ATOM 287 O THR A 17 17.048 -37.764 0.033 1.00 5.32 O ATOM 288 CB THR A 17 15.341 -35.682 0.425 1.00 74.35 C ATOM 289 OG1 THR A 17 14.560 -36.343 -0.578 1.00 0.12 O ATOM 290 CG2 THR A 17 14.640 -34.404 0.859 1.00 43.52 C ATOM 0 H THR A 17 16.474 -35.045 -2.171 1.00 72.42 H new ATOM 0 HA THR A 17 17.308 -34.820 0.631 1.00 0.10 H new ATOM 0 HB THR A 17 15.445 -36.333 1.293 1.00 74.35 H new ATOM 0 HG1 THR A 17 14.447 -35.749 -1.349 1.00 0.12 H new ATOM 0 HG21 THR A 17 13.648 -34.645 1.240 1.00 43.52 H new ATOM 0 HG22 THR A 17 15.222 -33.918 1.642 1.00 43.52 H new ATOM 0 HG23 THR A 17 14.548 -33.732 0.006 1.00 43.52 H new ATOM 298 N PRO A 18 18.570 -36.612 -1.164 1.00 71.12 N ATOM 299 CA PRO A 18 19.368 -37.787 -1.526 1.00 44.25 C ATOM 300 C PRO A 18 20.111 -38.374 -0.331 1.00 43.22 C ATOM 301 O PRO A 18 21.264 -38.026 -0.070 1.00 55.34 O ATOM 302 CB PRO A 18 20.360 -37.238 -2.555 1.00 70.15 C ATOM 303 CG PRO A 18 20.475 -35.788 -2.235 1.00 3.14 C ATOM 304 CD PRO A 18 19.125 -35.368 -1.724 1.00 33.11 C ATOM 0 HA PRO A 18 18.748 -38.601 -1.902 1.00 44.25 H new ATOM 0 HB2 PRO A 18 21.326 -37.738 -2.479 1.00 70.15 H new ATOM 0 HB3 PRO A 18 20.000 -37.391 -3.572 1.00 70.15 H new ATOM 0 HG2 PRO A 18 21.247 -35.614 -1.486 1.00 3.14 H new ATOM 0 HG3 PRO A 18 20.753 -35.214 -3.119 1.00 3.14 H new ATOM 0 HD2 PRO A 18 19.207 -34.588 -0.967 1.00 33.11 H new ATOM 0 HD3 PRO A 18 18.498 -34.972 -2.523 1.00 33.11 H new ATOM 312 N THR A 19 19.445 -39.267 0.393 1.00 30.35 N ATOM 313 CA THR A 19 20.042 -39.902 1.562 1.00 72.23 C ATOM 314 C THR A 19 20.183 -41.406 1.358 1.00 70.30 C ATOM 315 O THR A 19 19.932 -42.193 2.272 1.00 61.32 O ATOM 316 CB THR A 19 19.207 -39.644 2.830 1.00 53.52 C ATOM 317 OG1 THR A 19 18.539 -38.381 2.727 1.00 34.24 O ATOM 318 CG2 THR A 19 20.087 -39.658 4.070 1.00 5.21 C ATOM 0 H THR A 19 18.491 -39.567 0.191 1.00 30.35 H new ATOM 0 HA THR A 19 21.030 -39.461 1.691 1.00 72.23 H new ATOM 0 HB THR A 19 18.468 -40.440 2.920 1.00 53.52 H new ATOM 0 HG1 THR A 19 18.009 -38.225 3.536 1.00 34.24 H new ATOM 0 HG21 THR A 19 19.475 -39.474 4.953 1.00 5.21 H new ATOM 0 HG22 THR A 19 20.572 -40.630 4.161 1.00 5.21 H new ATOM 0 HG23 THR A 19 20.846 -38.880 3.986 1.00 5.21 H new ATOM 326 N LEU A 20 20.586 -41.800 0.155 1.00 24.32 N ATOM 327 CA LEU A 20 20.762 -43.212 -0.168 1.00 41.15 C ATOM 328 C LEU A 20 22.221 -43.519 -0.490 1.00 21.42 C ATOM 329 O LEU A 20 22.521 -44.459 -1.226 1.00 65.33 O ATOM 330 CB LEU A 20 19.875 -43.598 -1.353 1.00 72.02 C ATOM 331 CG LEU A 20 19.859 -42.618 -2.527 1.00 74.20 C ATOM 332 CD1 LEU A 20 21.163 -42.696 -3.305 1.00 72.24 C ATOM 333 CD2 LEU A 20 18.673 -42.898 -3.439 1.00 63.53 C ATOM 0 H LEU A 20 20.797 -41.162 -0.613 1.00 24.32 H new ATOM 0 HA LEU A 20 20.470 -43.798 0.703 1.00 41.15 H new ATOM 0 HB2 LEU A 20 20.200 -44.571 -1.722 1.00 72.02 H new ATOM 0 HB3 LEU A 20 18.853 -43.718 -0.992 1.00 72.02 H new ATOM 0 HG LEU A 20 19.756 -41.608 -2.131 1.00 74.20 H new ATOM 0 HD11 LEU A 20 21.133 -41.992 -4.136 1.00 72.24 H new ATOM 0 HD12 LEU A 20 21.995 -42.445 -2.647 1.00 72.24 H new ATOM 0 HD13 LEU A 20 21.297 -43.707 -3.690 1.00 72.24 H new ATOM 0 HD21 LEU A 20 18.677 -42.191 -4.269 1.00 63.53 H new ATOM 0 HD22 LEU A 20 18.744 -43.914 -3.827 1.00 63.53 H new ATOM 0 HD23 LEU A 20 17.747 -42.789 -2.875 1.00 63.53 H new ATOM 345 N LYS A 21 23.125 -42.722 0.069 1.00 23.21 N ATOM 346 CA LYS A 21 24.554 -42.910 -0.154 1.00 71.10 C ATOM 347 C LYS A 21 24.967 -44.348 0.144 1.00 73.14 C ATOM 348 O LYS A 21 25.914 -44.867 -0.447 1.00 4.11 O ATOM 349 CB LYS A 21 25.359 -41.946 0.720 1.00 13.15 C ATOM 350 CG LYS A 21 25.402 -42.345 2.185 1.00 21.33 C ATOM 351 CD LYS A 21 24.060 -42.126 2.863 1.00 71.20 C ATOM 352 CE LYS A 21 24.230 -41.727 4.321 1.00 42.43 C ATOM 353 NZ LYS A 21 25.126 -42.665 5.052 1.00 32.10 N ATOM 0 H LYS A 21 22.893 -41.939 0.680 1.00 23.21 H new ATOM 0 HA LYS A 21 24.763 -42.700 -1.203 1.00 71.10 H new ATOM 0 HB2 LYS A 21 26.378 -41.887 0.338 1.00 13.15 H new ATOM 0 HB3 LYS A 21 24.929 -40.948 0.636 1.00 13.15 H new ATOM 0 HG2 LYS A 21 25.686 -43.394 2.269 1.00 21.33 H new ATOM 0 HG3 LYS A 21 26.169 -41.765 2.698 1.00 21.33 H new ATOM 0 HD2 LYS A 21 23.507 -41.350 2.335 1.00 71.20 H new ATOM 0 HD3 LYS A 21 23.467 -43.038 2.801 1.00 71.20 H new ATOM 0 HE2 LYS A 21 24.638 -40.718 4.376 1.00 42.43 H new ATOM 0 HE3 LYS A 21 23.255 -41.703 4.807 1.00 42.43 H new ATOM 0 HZ1 LYS A 21 25.380 -42.255 5.974 1.00 32.10 H new ATOM 0 HZ2 LYS A 21 24.636 -43.570 5.199 1.00 32.10 H new ATOM 0 HZ3 LYS A 21 25.990 -42.825 4.495 1.00 32.10 H new ATOM 367 N TYR A 22 24.249 -44.987 1.061 1.00 40.22 N ATOM 368 CA TYR A 22 24.542 -46.365 1.437 1.00 54.20 C ATOM 369 C TYR A 22 24.580 -47.268 0.208 1.00 31.54 C ATOM 370 O TYR A 22 25.283 -48.279 0.188 1.00 33.22 O ATOM 371 CB TYR A 22 23.496 -46.878 2.429 1.00 42.22 C ATOM 372 CG TYR A 22 23.642 -46.297 3.817 1.00 2.20 C ATOM 373 CD1 TYR A 22 24.656 -46.722 4.666 1.00 25.32 C ATOM 374 CD2 TYR A 22 22.766 -45.323 4.280 1.00 33.30 C ATOM 375 CE1 TYR A 22 24.793 -46.195 5.936 1.00 44.13 C ATOM 376 CE2 TYR A 22 22.896 -44.789 5.547 1.00 30.33 C ATOM 377 CZ TYR A 22 23.911 -45.228 6.371 1.00 21.44 C ATOM 378 OH TYR A 22 24.043 -44.700 7.635 1.00 4.11 O ATOM 0 H TYR A 22 23.460 -44.573 1.558 1.00 40.22 H new ATOM 0 HA TYR A 22 25.523 -46.385 1.911 1.00 54.20 H new ATOM 0 HB2 TYR A 22 22.502 -46.644 2.049 1.00 42.22 H new ATOM 0 HB3 TYR A 22 23.567 -47.964 2.489 1.00 42.22 H new ATOM 0 HD1 TYR A 22 25.349 -47.478 4.328 1.00 25.32 H new ATOM 0 HD2 TYR A 22 21.969 -44.977 3.638 1.00 33.30 H new ATOM 0 HE1 TYR A 22 25.586 -46.538 6.584 1.00 44.13 H new ATOM 0 HE2 TYR A 22 22.207 -44.032 5.891 1.00 30.33 H new ATOM 0 HH TYR A 22 23.343 -44.030 7.784 1.00 4.11 H new ATOM 388 N PHE A 23 23.819 -46.896 -0.816 1.00 21.34 N ATOM 389 CA PHE A 23 23.765 -47.672 -2.049 1.00 75.12 C ATOM 390 C PHE A 23 24.728 -47.108 -3.090 1.00 31.05 C ATOM 391 O PHE A 23 24.471 -47.176 -4.291 1.00 23.33 O ATOM 392 CB PHE A 23 22.340 -47.681 -2.608 1.00 63.14 C ATOM 393 CG PHE A 23 22.006 -48.928 -3.376 1.00 35.11 C ATOM 394 CD1 PHE A 23 21.498 -50.042 -2.727 1.00 15.44 C ATOM 395 CD2 PHE A 23 22.199 -48.987 -4.747 1.00 4.34 C ATOM 396 CE1 PHE A 23 21.188 -51.191 -3.430 1.00 0.41 C ATOM 397 CE2 PHE A 23 21.891 -50.133 -5.455 1.00 44.31 C ATOM 398 CZ PHE A 23 21.386 -51.236 -4.796 1.00 23.41 C ATOM 0 H PHE A 23 23.231 -46.062 -0.816 1.00 21.34 H new ATOM 0 HA PHE A 23 24.065 -48.694 -1.819 1.00 75.12 H new ATOM 0 HB2 PHE A 23 21.634 -47.571 -1.785 1.00 63.14 H new ATOM 0 HB3 PHE A 23 22.208 -46.817 -3.259 1.00 63.14 H new ATOM 0 HD1 PHE A 23 21.342 -50.012 -1.659 1.00 15.44 H new ATOM 0 HD2 PHE A 23 22.595 -48.128 -5.268 1.00 4.34 H new ATOM 0 HE1 PHE A 23 20.792 -52.052 -2.912 1.00 0.41 H new ATOM 0 HE2 PHE A 23 22.045 -50.166 -6.523 1.00 44.31 H new ATOM 0 HZ PHE A 23 21.146 -52.133 -5.348 1.00 23.41 H new ATOM 408 N GLY A 24 25.839 -46.550 -2.618 1.00 14.33 N ATOM 409 CA GLY A 24 26.824 -45.981 -3.519 1.00 74.01 C ATOM 410 C GLY A 24 27.942 -45.271 -2.782 1.00 63.44 C ATOM 411 O GLY A 24 27.821 -44.097 -2.438 1.00 12.32 O ATOM 0 H GLY A 24 26.074 -46.482 -1.628 1.00 14.33 H new ATOM 0 HA2 GLY A 24 27.246 -46.773 -4.138 1.00 74.01 H new ATOM 0 HA3 GLY A 24 26.333 -45.278 -4.192 1.00 74.01 H new ATOM 415 N GLY A 25 29.036 -45.987 -2.539 1.00 31.45 N ATOM 416 CA GLY A 25 30.164 -45.403 -1.838 1.00 2.14 C ATOM 417 C GLY A 25 31.219 -46.430 -1.478 1.00 71.51 C ATOM 418 O GLY A 25 31.532 -46.625 -0.303 1.00 51.32 O ATOM 0 H GLY A 25 29.161 -46.961 -2.815 1.00 31.45 H new ATOM 0 HA2 GLY A 25 30.613 -44.629 -2.460 1.00 2.14 H new ATOM 0 HA3 GLY A 25 29.810 -44.916 -0.929 1.00 2.14 H new ATOM 422 N PHE A 26 31.768 -47.092 -2.491 1.00 71.14 N ATOM 423 CA PHE A 26 32.792 -48.108 -2.276 1.00 52.21 C ATOM 424 C PHE A 26 34.180 -47.477 -2.218 1.00 40.12 C ATOM 425 O PHE A 26 34.523 -46.629 -3.041 1.00 71.43 O ATOM 426 CB PHE A 26 32.742 -49.157 -3.389 1.00 51.41 C ATOM 427 CG PHE A 26 31.764 -50.266 -3.124 1.00 45.22 C ATOM 428 CD1 PHE A 26 30.428 -50.124 -3.460 1.00 13.25 C ATOM 429 CD2 PHE A 26 32.182 -51.450 -2.539 1.00 64.32 C ATOM 430 CE1 PHE A 26 29.526 -51.143 -3.217 1.00 55.35 C ATOM 431 CE2 PHE A 26 31.285 -52.473 -2.295 1.00 41.32 C ATOM 432 CZ PHE A 26 29.955 -52.318 -2.634 1.00 31.35 C ATOM 0 H PHE A 26 31.521 -46.943 -3.469 1.00 71.14 H new ATOM 0 HA PHE A 26 32.592 -48.593 -1.320 1.00 52.21 H new ATOM 0 HB2 PHE A 26 32.479 -48.668 -4.327 1.00 51.41 H new ATOM 0 HB3 PHE A 26 33.736 -49.584 -3.520 1.00 51.41 H new ATOM 0 HD1 PHE A 26 30.087 -49.207 -3.917 1.00 13.25 H new ATOM 0 HD2 PHE A 26 33.221 -51.575 -2.270 1.00 64.32 H new ATOM 0 HE1 PHE A 26 28.487 -51.020 -3.483 1.00 55.35 H new ATOM 0 HE2 PHE A 26 31.624 -53.392 -1.840 1.00 41.32 H new ATOM 0 HZ PHE A 26 29.252 -53.115 -2.443 1.00 31.35 H new ATOM 442 N ASN A 27 34.974 -47.897 -1.239 1.00 30.14 N ATOM 443 CA ASN A 27 36.325 -47.373 -1.072 1.00 13.14 C ATOM 444 C ASN A 27 37.357 -48.337 -1.647 1.00 24.31 C ATOM 445 O ASN A 27 38.443 -47.928 -2.060 1.00 54.10 O ATOM 446 CB ASN A 27 36.616 -47.119 0.409 1.00 62.42 C ATOM 447 CG ASN A 27 37.571 -45.960 0.620 1.00 72.02 C ATOM 448 OD1 ASN A 27 37.558 -44.986 -0.133 1.00 62.23 O ATOM 449 ND2 ASN A 27 38.405 -46.060 1.648 1.00 32.23 N ATOM 0 H ASN A 27 34.706 -48.599 -0.549 1.00 30.14 H new ATOM 0 HA ASN A 27 36.393 -46.431 -1.615 1.00 13.14 H new ATOM 0 HB2 ASN A 27 35.681 -46.915 0.930 1.00 62.42 H new ATOM 0 HB3 ASN A 27 37.039 -48.020 0.853 1.00 62.42 H new ATOM 0 HD21 ASN A 27 39.070 -45.311 1.840 1.00 32.23 H new ATOM 0 HD22 ASN A 27 38.381 -46.886 2.246 1.00 32.23 H new ATOM 456 N PHE A 28 37.012 -49.620 -1.671 1.00 71.31 N ATOM 457 CA PHE A 28 37.909 -50.644 -2.195 1.00 54.24 C ATOM 458 C PHE A 28 37.859 -50.681 -3.720 1.00 44.21 C ATOM 459 O PHE A 28 38.800 -51.134 -4.371 1.00 63.24 O ATOM 460 CB PHE A 28 37.538 -52.016 -1.628 1.00 51.35 C ATOM 461 CG PHE A 28 38.192 -52.316 -0.310 1.00 71.21 C ATOM 462 CD1 PHE A 28 37.754 -51.701 0.852 1.00 42.04 C ATOM 463 CD2 PHE A 28 39.245 -53.214 -0.233 1.00 11.52 C ATOM 464 CE1 PHE A 28 38.354 -51.975 2.066 1.00 34.55 C ATOM 465 CE2 PHE A 28 39.848 -53.492 0.979 1.00 32.32 C ATOM 466 CZ PHE A 28 39.403 -52.872 2.130 1.00 15.40 C ATOM 0 H PHE A 28 36.118 -49.976 -1.334 1.00 71.31 H new ATOM 0 HA PHE A 28 38.925 -50.394 -1.888 1.00 54.24 H new ATOM 0 HB2 PHE A 28 36.456 -52.070 -1.508 1.00 51.35 H new ATOM 0 HB3 PHE A 28 37.818 -52.786 -2.347 1.00 51.35 H new ATOM 0 HD1 PHE A 28 36.934 -50.999 0.808 1.00 42.04 H new ATOM 0 HD2 PHE A 28 39.598 -53.702 -1.130 1.00 11.52 H new ATOM 0 HE1 PHE A 28 38.003 -51.488 2.964 1.00 34.55 H new ATOM 0 HE2 PHE A 28 40.667 -54.194 1.026 1.00 32.32 H new ATOM 0 HZ PHE A 28 39.874 -53.088 3.078 1.00 15.40 H new ATOM 476 N SER A 29 36.755 -50.201 -4.282 1.00 53.13 N ATOM 477 CA SER A 29 36.580 -50.183 -5.730 1.00 14.31 C ATOM 478 C SER A 29 37.773 -49.523 -6.413 1.00 45.12 C ATOM 479 O SER A 29 38.274 -50.016 -7.424 1.00 34.23 O ATOM 480 CB SER A 29 35.293 -49.443 -6.100 1.00 13.31 C ATOM 481 OG SER A 29 35.518 -48.047 -6.203 1.00 22.54 O ATOM 0 H SER A 29 35.968 -49.819 -3.757 1.00 53.13 H new ATOM 0 HA SER A 29 36.510 -51.214 -6.076 1.00 14.31 H new ATOM 0 HB2 SER A 29 34.911 -49.824 -7.047 1.00 13.31 H new ATOM 0 HB3 SER A 29 34.529 -49.637 -5.347 1.00 13.31 H new ATOM 0 HG SER A 29 34.681 -47.597 -6.442 1.00 22.54 H new ATOM 487 N GLN A 30 38.224 -48.405 -5.853 1.00 41.35 N ATOM 488 CA GLN A 30 39.359 -47.676 -6.409 1.00 34.41 C ATOM 489 C GLN A 30 40.670 -48.388 -6.092 1.00 10.52 C ATOM 490 O GLN A 30 41.655 -48.246 -6.817 1.00 1.52 O ATOM 491 CB GLN A 30 39.393 -46.249 -5.860 1.00 42.14 C ATOM 492 CG GLN A 30 39.869 -46.162 -4.419 1.00 71.32 C ATOM 493 CD GLN A 30 39.360 -44.923 -3.710 1.00 52.21 C ATOM 494 OE1 GLN A 30 39.737 -43.801 -4.049 1.00 10.31 O ATOM 495 NE2 GLN A 30 38.498 -45.119 -2.719 1.00 73.34 N ATOM 0 H GLN A 30 37.822 -47.984 -5.015 1.00 41.35 H new ATOM 0 HA GLN A 30 39.240 -47.638 -7.492 1.00 34.41 H new ATOM 0 HB2 GLN A 30 40.047 -45.643 -6.487 1.00 42.14 H new ATOM 0 HB3 GLN A 30 38.394 -45.818 -5.931 1.00 42.14 H new ATOM 0 HG2 GLN A 30 39.538 -47.048 -3.877 1.00 71.32 H new ATOM 0 HG3 GLN A 30 40.959 -46.165 -4.400 1.00 71.32 H new ATOM 0 HE21 GLN A 30 38.213 -46.066 -2.471 1.00 73.34 H new ATOM 0 HE22 GLN A 30 38.121 -44.322 -2.206 1.00 73.34 H new ATOM 504 N ILE A 31 40.675 -49.152 -5.005 1.00 50.10 N ATOM 505 CA ILE A 31 41.865 -49.885 -4.593 1.00 63.30 C ATOM 506 C ILE A 31 41.825 -51.325 -5.094 1.00 73.00 C ATOM 507 O ILE A 31 42.459 -52.212 -4.521 1.00 1.32 O ATOM 508 CB ILE A 31 42.021 -49.891 -3.061 1.00 31.02 C ATOM 509 CG1 ILE A 31 41.643 -48.526 -2.483 1.00 10.31 C ATOM 510 CG2 ILE A 31 43.445 -50.260 -2.674 1.00 44.15 C ATOM 511 CD1 ILE A 31 41.801 -48.441 -0.981 1.00 11.41 C ATOM 0 H ILE A 31 39.868 -49.279 -4.394 1.00 50.10 H new ATOM 0 HA ILE A 31 42.719 -49.372 -5.035 1.00 63.30 H new ATOM 0 HB ILE A 31 41.347 -50.640 -2.645 1.00 31.02 H new ATOM 0 HG12 ILE A 31 42.262 -47.759 -2.949 1.00 10.31 H new ATOM 0 HG13 ILE A 31 40.608 -48.304 -2.745 1.00 10.31 H new ATOM 0 HG21 ILE A 31 43.539 -50.260 -1.588 1.00 44.15 H new ATOM 0 HG22 ILE A 31 43.681 -51.252 -3.058 1.00 44.15 H new ATOM 0 HG23 ILE A 31 44.137 -49.533 -3.098 1.00 44.15 H new ATOM 0 HD11 ILE A 31 41.515 -47.446 -0.641 1.00 11.41 H new ATOM 0 HD12 ILE A 31 41.162 -49.185 -0.505 1.00 11.41 H new ATOM 0 HD13 ILE A 31 42.840 -48.632 -0.713 1.00 11.41 H new ATOM 523 N LEU A 32 41.076 -51.551 -6.168 1.00 42.10 N ATOM 524 CA LEU A 32 40.954 -52.883 -6.749 1.00 31.41 C ATOM 525 C LEU A 32 41.159 -52.840 -8.260 1.00 5.13 C ATOM 526 O LEU A 32 40.219 -52.974 -9.043 1.00 1.10 O ATOM 527 CB LEU A 32 39.582 -53.478 -6.426 1.00 52.24 C ATOM 528 CG LEU A 32 39.504 -55.004 -6.387 1.00 70.55 C ATOM 529 CD1 LEU A 32 39.821 -55.590 -7.755 1.00 31.13 C ATOM 530 CD2 LEU A 32 40.452 -55.560 -5.335 1.00 33.15 C ATOM 0 H LEU A 32 40.544 -50.829 -6.654 1.00 42.10 H new ATOM 0 HA LEU A 32 41.729 -53.514 -6.314 1.00 31.41 H new ATOM 0 HB2 LEU A 32 39.260 -53.093 -5.458 1.00 52.24 H new ATOM 0 HB3 LEU A 32 38.868 -53.117 -7.166 1.00 52.24 H new ATOM 0 HG LEU A 32 38.487 -55.290 -6.118 1.00 70.55 H new ATOM 0 HD11 LEU A 32 39.761 -56.677 -7.708 1.00 31.13 H new ATOM 0 HD12 LEU A 32 39.103 -55.218 -8.486 1.00 31.13 H new ATOM 0 HD13 LEU A 32 40.827 -55.295 -8.053 1.00 31.13 H new ATOM 0 HD21 LEU A 32 40.383 -56.648 -5.321 1.00 33.15 H new ATOM 0 HD22 LEU A 32 41.474 -55.264 -5.573 1.00 33.15 H new ATOM 0 HD23 LEU A 32 40.179 -55.167 -4.356 1.00 33.15 H new ATOM 542 N PRO A 33 42.419 -52.650 -8.680 1.00 72.15 N ATOM 543 CA PRO A 33 42.778 -52.588 -10.100 1.00 41.53 C ATOM 544 C PRO A 33 42.647 -53.940 -10.792 1.00 30.34 C ATOM 545 O PRO A 33 42.105 -54.035 -11.893 1.00 34.54 O ATOM 546 CB PRO A 33 44.241 -52.139 -10.077 1.00 3.35 C ATOM 547 CG PRO A 33 44.753 -52.584 -8.750 1.00 14.11 C ATOM 548 CD PRO A 33 43.589 -52.483 -7.803 1.00 2.44 C ATOM 0 HA PRO A 33 42.121 -51.920 -10.657 1.00 41.53 H new ATOM 0 HB2 PRO A 33 44.807 -52.591 -10.892 1.00 3.35 H new ATOM 0 HB3 PRO A 33 44.325 -51.058 -10.192 1.00 3.35 H new ATOM 0 HG2 PRO A 33 45.129 -53.606 -8.799 1.00 14.11 H new ATOM 0 HG3 PRO A 33 45.580 -51.956 -8.420 1.00 14.11 H new ATOM 0 HD2 PRO A 33 43.628 -53.255 -7.034 1.00 2.44 H new ATOM 0 HD3 PRO A 33 43.572 -51.522 -7.289 1.00 2.44 H new ATOM 556 N SER A 34 43.147 -54.985 -10.138 1.00 54.54 N ATOM 557 CA SER A 34 43.088 -56.332 -10.692 1.00 60.13 C ATOM 558 C SER A 34 43.702 -56.373 -12.088 1.00 41.23 C ATOM 559 O SER A 34 43.009 -56.523 -13.095 1.00 24.20 O ATOM 560 CB SER A 34 41.640 -56.822 -10.745 1.00 54.04 C ATOM 561 OG SER A 34 41.269 -57.451 -9.531 1.00 22.30 O ATOM 0 H SER A 34 43.597 -54.924 -9.225 1.00 54.54 H new ATOM 0 HA SER A 34 43.663 -56.991 -10.041 1.00 60.13 H new ATOM 0 HB2 SER A 34 40.975 -55.981 -10.940 1.00 54.04 H new ATOM 0 HB3 SER A 34 41.520 -57.522 -11.572 1.00 54.04 H new ATOM 0 HG SER A 34 40.339 -57.753 -9.590 1.00 22.30 H new ATOM 567 N PRO A 35 45.035 -56.235 -12.152 1.00 31.52 N ATOM 568 CA PRO A 35 45.773 -56.254 -13.418 1.00 41.50 C ATOM 569 C PRO A 35 45.787 -57.636 -14.061 1.00 53.15 C ATOM 570 O PRO A 35 45.756 -57.762 -15.286 1.00 74.24 O ATOM 571 CB PRO A 35 47.189 -55.840 -13.009 1.00 61.10 C ATOM 572 CG PRO A 35 47.298 -56.230 -11.575 1.00 63.13 C ATOM 573 CD PRO A 35 45.924 -56.053 -10.992 1.00 53.41 C ATOM 0 HA PRO A 35 45.321 -55.599 -14.163 1.00 41.50 H new ATOM 0 HB2 PRO A 35 47.940 -56.346 -13.615 1.00 61.10 H new ATOM 0 HB3 PRO A 35 47.342 -54.769 -13.141 1.00 61.10 H new ATOM 0 HG2 PRO A 35 47.634 -57.262 -11.476 1.00 63.13 H new ATOM 0 HG3 PRO A 35 48.026 -55.607 -11.055 1.00 63.13 H new ATOM 0 HD2 PRO A 35 45.721 -56.786 -10.211 1.00 53.41 H new ATOM 0 HD3 PRO A 35 45.802 -55.067 -10.543 1.00 53.41 H new ATOM 581 N LEU A 36 45.833 -58.670 -13.229 1.00 70.22 N ATOM 582 CA LEU A 36 45.850 -60.045 -13.717 1.00 40.13 C ATOM 583 C LEU A 36 45.187 -60.986 -12.717 1.00 25.34 C ATOM 584 O LEU A 36 45.795 -61.378 -11.720 1.00 13.34 O ATOM 585 CB LEU A 36 47.288 -60.495 -13.983 1.00 53.32 C ATOM 586 CG LEU A 36 47.460 -61.926 -14.494 1.00 13.31 C ATOM 587 CD1 LEU A 36 47.013 -62.032 -15.944 1.00 25.22 C ATOM 588 CD2 LEU A 36 48.906 -62.375 -14.345 1.00 11.04 C ATOM 0 H LEU A 36 45.859 -58.583 -12.213 1.00 70.22 H new ATOM 0 HA LEU A 36 45.287 -60.081 -14.649 1.00 40.13 H new ATOM 0 HB2 LEU A 36 47.732 -59.815 -14.710 1.00 53.32 H new ATOM 0 HB3 LEU A 36 47.857 -60.389 -13.059 1.00 53.32 H new ATOM 0 HG LEU A 36 46.833 -62.584 -13.893 1.00 13.31 H new ATOM 0 HD11 LEU A 36 47.143 -63.057 -16.291 1.00 25.22 H new ATOM 0 HD12 LEU A 36 45.962 -61.753 -16.022 1.00 25.22 H new ATOM 0 HD13 LEU A 36 47.613 -61.362 -16.560 1.00 25.22 H new ATOM 0 HD21 LEU A 36 49.010 -63.396 -14.714 1.00 11.04 H new ATOM 0 HD22 LEU A 36 49.554 -61.714 -14.921 1.00 11.04 H new ATOM 0 HD23 LEU A 36 49.192 -62.338 -13.294 1.00 11.04 H new ATOM 600 N LYS A 37 43.939 -61.348 -12.990 1.00 74.30 N ATOM 601 CA LYS A 37 43.193 -62.247 -12.117 1.00 3.14 C ATOM 602 C LYS A 37 41.930 -62.753 -12.806 1.00 44.34 C ATOM 603 O LYS A 37 40.813 -62.351 -12.481 1.00 30.34 O ATOM 604 CB LYS A 37 42.825 -61.535 -10.813 1.00 12.10 C ATOM 605 CG LYS A 37 42.278 -62.466 -9.745 1.00 74.10 C ATOM 606 CD LYS A 37 43.393 -63.077 -8.913 1.00 72.12 C ATOM 607 CE LYS A 37 43.767 -64.463 -9.415 1.00 32.52 C ATOM 608 NZ LYS A 37 45.186 -64.798 -9.114 1.00 45.22 N ATOM 0 H LYS A 37 43.421 -61.032 -13.810 1.00 74.30 H new ATOM 0 HA LYS A 37 43.829 -63.103 -11.890 1.00 3.14 H new ATOM 0 HB2 LYS A 37 43.708 -61.028 -10.424 1.00 12.10 H new ATOM 0 HB3 LYS A 37 42.084 -60.765 -11.026 1.00 12.10 H new ATOM 0 HG2 LYS A 37 41.598 -61.916 -9.095 1.00 74.10 H new ATOM 0 HG3 LYS A 37 41.697 -63.259 -10.215 1.00 74.10 H new ATOM 0 HD2 LYS A 37 44.269 -62.429 -8.944 1.00 72.12 H new ATOM 0 HD3 LYS A 37 43.079 -63.139 -7.871 1.00 72.12 H new ATOM 0 HE2 LYS A 37 43.114 -65.204 -8.955 1.00 32.52 H new ATOM 0 HE3 LYS A 37 43.602 -64.516 -10.491 1.00 32.52 H new ATOM 0 HZ1 LYS A 37 45.401 -65.750 -9.472 1.00 45.22 H new ATOM 0 HZ2 LYS A 37 45.811 -64.106 -9.574 1.00 45.22 H new ATOM 0 HZ3 LYS A 37 45.338 -64.772 -8.086 1.00 45.22 H new ATOM 622 N PRO A 38 42.109 -63.656 -13.782 1.00 1.03 N ATOM 623 CA PRO A 38 40.995 -64.237 -14.536 1.00 73.40 C ATOM 624 C PRO A 38 40.147 -65.178 -13.686 1.00 25.01 C ATOM 625 O PRO A 38 40.636 -65.774 -12.726 1.00 21.44 O ATOM 626 CB PRO A 38 41.691 -65.012 -15.658 1.00 4.23 C ATOM 627 CG PRO A 38 43.042 -65.332 -15.115 1.00 55.42 C ATOM 628 CD PRO A 38 43.413 -64.180 -14.223 1.00 13.32 C ATOM 0 HA PRO A 38 40.303 -63.474 -14.892 1.00 73.40 H new ATOM 0 HB2 PRO A 38 41.142 -65.918 -15.913 1.00 4.23 H new ATOM 0 HB3 PRO A 38 41.761 -64.415 -16.567 1.00 4.23 H new ATOM 0 HG2 PRO A 38 43.027 -66.268 -14.557 1.00 55.42 H new ATOM 0 HG3 PRO A 38 43.768 -65.452 -15.919 1.00 55.42 H new ATOM 0 HD2 PRO A 38 44.022 -64.505 -13.379 1.00 13.32 H new ATOM 0 HD3 PRO A 38 43.989 -63.426 -14.759 1.00 13.32 H new ATOM 636 N THR A 39 38.874 -65.307 -14.045 1.00 31.42 N ATOM 637 CA THR A 39 37.958 -66.175 -13.315 1.00 24.04 C ATOM 638 C THR A 39 38.033 -67.609 -13.827 1.00 41.31 C ATOM 639 O THR A 39 37.542 -68.536 -13.183 1.00 54.12 O ATOM 640 CB THR A 39 36.505 -65.678 -13.425 1.00 12.42 C ATOM 641 OG1 THR A 39 35.631 -66.553 -12.703 1.00 4.13 O ATOM 642 CG2 THR A 39 36.067 -65.603 -14.880 1.00 21.32 C ATOM 0 H THR A 39 38.453 -64.821 -14.837 1.00 31.42 H new ATOM 0 HA THR A 39 38.265 -66.149 -12.269 1.00 24.04 H new ATOM 0 HB THR A 39 36.454 -64.678 -12.994 1.00 12.42 H new ATOM 0 HG1 THR A 39 35.199 -67.172 -13.328 1.00 4.13 H new ATOM 0 HG21 THR A 39 35.037 -65.249 -14.932 1.00 21.32 H new ATOM 0 HG22 THR A 39 36.715 -64.913 -15.420 1.00 21.32 H new ATOM 0 HG23 THR A 39 36.134 -66.593 -15.332 1.00 21.32 H new ATOM 650 N LYS A 40 38.652 -67.785 -14.990 1.00 33.03 N ATOM 651 CA LYS A 40 38.793 -69.107 -15.589 1.00 2.30 C ATOM 652 C LYS A 40 39.418 -70.088 -14.602 1.00 14.32 C ATOM 653 O LYS A 40 39.166 -71.291 -14.665 1.00 32.11 O ATOM 654 CB LYS A 40 39.649 -69.026 -16.855 1.00 23.31 C ATOM 655 CG LYS A 40 39.732 -70.337 -17.618 1.00 34.12 C ATOM 656 CD LYS A 40 41.041 -70.458 -18.379 1.00 40.13 C ATOM 657 CE LYS A 40 41.001 -69.676 -19.684 1.00 24.54 C ATOM 658 NZ LYS A 40 42.148 -70.019 -20.570 1.00 53.14 N ATOM 0 H LYS A 40 39.064 -67.029 -15.536 1.00 33.03 H new ATOM 0 HA LYS A 40 37.799 -69.468 -15.852 1.00 2.30 H new ATOM 0 HB2 LYS A 40 39.240 -68.258 -17.512 1.00 23.31 H new ATOM 0 HB3 LYS A 40 40.656 -68.709 -16.583 1.00 23.31 H new ATOM 0 HG2 LYS A 40 39.636 -71.171 -16.922 1.00 34.12 H new ATOM 0 HG3 LYS A 40 38.897 -70.407 -18.315 1.00 34.12 H new ATOM 0 HD2 LYS A 40 41.859 -70.092 -17.759 1.00 40.13 H new ATOM 0 HD3 LYS A 40 41.246 -71.508 -18.589 1.00 40.13 H new ATOM 0 HE2 LYS A 40 40.066 -69.884 -20.204 1.00 24.54 H new ATOM 0 HE3 LYS A 40 41.015 -68.608 -19.468 1.00 24.54 H new ATOM 0 HZ1 LYS A 40 42.085 -69.466 -21.449 1.00 53.14 H new ATOM 0 HZ2 LYS A 40 43.040 -69.797 -20.084 1.00 53.14 H new ATOM 0 HZ3 LYS A 40 42.120 -71.034 -20.797 1.00 53.14 H new ATOM 672 N ARG A 41 40.231 -69.565 -13.690 1.00 65.32 N ATOM 673 CA ARG A 41 40.891 -70.396 -12.690 1.00 2.54 C ATOM 674 C ARG A 41 39.866 -71.152 -11.849 1.00 44.32 C ATOM 675 O ARG A 41 40.158 -72.219 -11.309 1.00 12.53 O ATOM 676 CB ARG A 41 41.774 -69.535 -11.784 1.00 63.20 C ATOM 677 CG ARG A 41 40.992 -68.560 -10.919 1.00 24.42 C ATOM 678 CD ARG A 41 41.847 -68.010 -9.788 1.00 43.42 C ATOM 679 NE ARG A 41 42.255 -69.053 -8.852 1.00 23.51 N ATOM 680 CZ ARG A 41 42.815 -68.805 -7.673 1.00 35.52 C ATOM 681 NH1 ARG A 41 43.031 -67.555 -7.288 1.00 34.33 N ATOM 682 NH2 ARG A 41 43.158 -69.809 -6.876 1.00 24.20 N ATOM 0 H ARG A 41 40.448 -68.571 -13.623 1.00 65.32 H new ATOM 0 HA ARG A 41 41.515 -71.122 -13.211 1.00 2.54 H new ATOM 0 HB2 ARG A 41 42.363 -70.187 -11.140 1.00 63.20 H new ATOM 0 HB3 ARG A 41 42.478 -68.976 -12.401 1.00 63.20 H new ATOM 0 HG2 ARG A 41 40.628 -67.737 -11.534 1.00 24.42 H new ATOM 0 HG3 ARG A 41 40.117 -69.060 -10.505 1.00 24.42 H new ATOM 0 HD2 ARG A 41 42.733 -67.530 -10.204 1.00 43.42 H new ATOM 0 HD3 ARG A 41 41.289 -67.241 -9.253 1.00 43.42 H new ATOM 0 HE ARG A 41 42.102 -70.026 -9.118 1.00 23.51 H new ATOM 0 HH11 ARG A 41 42.767 -66.781 -7.897 1.00 34.33 H new ATOM 0 HH12 ARG A 41 43.461 -67.367 -6.382 1.00 34.33 H new ATOM 0 HH21 ARG A 41 42.992 -70.772 -7.168 1.00 24.20 H new ATOM 0 HH22 ARG A 41 43.588 -69.618 -5.971 1.00 24.20 H new ATOM 696 N SER A 42 38.666 -70.591 -11.744 1.00 32.15 N ATOM 697 CA SER A 42 37.599 -71.210 -10.965 1.00 40.15 C ATOM 698 C SER A 42 36.585 -71.890 -11.880 1.00 35.34 C ATOM 699 O SER A 42 35.991 -71.253 -12.750 1.00 33.41 O ATOM 700 CB SER A 42 36.899 -70.163 -10.098 1.00 14.34 C ATOM 701 OG SER A 42 37.814 -69.180 -9.645 1.00 63.31 O ATOM 0 H SER A 42 38.408 -69.710 -12.188 1.00 32.15 H new ATOM 0 HA SER A 42 38.045 -71.966 -10.319 1.00 40.15 H new ATOM 0 HB2 SER A 42 36.103 -69.687 -10.670 1.00 14.34 H new ATOM 0 HB3 SER A 42 36.430 -70.649 -9.243 1.00 14.34 H new ATOM 0 HG SER A 42 37.341 -68.522 -9.094 1.00 63.31 H new ATOM 707 N PHE A 43 36.391 -73.189 -11.675 1.00 62.12 N ATOM 708 CA PHE A 43 35.450 -73.958 -12.481 1.00 14.13 C ATOM 709 C PHE A 43 34.014 -73.702 -12.032 1.00 11.24 C ATOM 710 O PHE A 43 33.074 -73.834 -12.816 1.00 42.32 O ATOM 711 CB PHE A 43 35.766 -75.452 -12.387 1.00 5.12 C ATOM 712 CG PHE A 43 36.841 -75.898 -13.337 1.00 2.52 C ATOM 713 CD1 PHE A 43 38.165 -75.947 -12.932 1.00 3.30 C ATOM 714 CD2 PHE A 43 36.527 -76.267 -14.635 1.00 1.12 C ATOM 715 CE1 PHE A 43 39.157 -76.357 -13.804 1.00 13.34 C ATOM 716 CE2 PHE A 43 37.514 -76.678 -15.511 1.00 21.14 C ATOM 717 CZ PHE A 43 38.831 -76.722 -15.095 1.00 14.11 C ATOM 0 H PHE A 43 36.873 -73.731 -10.958 1.00 62.12 H new ATOM 0 HA PHE A 43 35.552 -73.637 -13.518 1.00 14.13 H new ATOM 0 HB2 PHE A 43 36.073 -75.687 -11.368 1.00 5.12 H new ATOM 0 HB3 PHE A 43 34.858 -76.021 -12.586 1.00 5.12 H new ATOM 0 HD1 PHE A 43 38.425 -75.662 -11.923 1.00 3.30 H new ATOM 0 HD2 PHE A 43 35.500 -76.233 -14.966 1.00 1.12 H new ATOM 0 HE1 PHE A 43 40.185 -76.392 -13.476 1.00 13.34 H new ATOM 0 HE2 PHE A 43 37.256 -76.965 -16.520 1.00 21.14 H new ATOM 0 HZ PHE A 43 39.604 -77.041 -15.778 1.00 14.11 H new ATOM 727 N ILE A 44 33.853 -73.336 -10.764 1.00 43.14 N ATOM 728 CA ILE A 44 32.533 -73.061 -10.211 1.00 3.13 C ATOM 729 C ILE A 44 31.779 -72.047 -11.064 1.00 44.24 C ATOM 730 O ILE A 44 30.550 -72.058 -11.117 1.00 1.41 O ATOM 731 CB ILE A 44 32.627 -72.531 -8.768 1.00 23.34 C ATOM 732 CG1 ILE A 44 33.539 -71.304 -8.710 1.00 54.30 C ATOM 733 CG2 ILE A 44 33.137 -73.621 -7.836 1.00 2.51 C ATOM 734 CD1 ILE A 44 33.543 -70.617 -7.362 1.00 64.30 C ATOM 0 H ILE A 44 34.620 -73.223 -10.101 1.00 43.14 H new ATOM 0 HA ILE A 44 31.989 -74.006 -10.209 1.00 3.13 H new ATOM 0 HB ILE A 44 31.631 -72.235 -8.440 1.00 23.34 H new ATOM 0 HG12 ILE A 44 34.557 -71.606 -8.958 1.00 54.30 H new ATOM 0 HG13 ILE A 44 33.224 -70.591 -9.471 1.00 54.30 H new ATOM 0 HG21 ILE A 44 33.198 -73.232 -6.820 1.00 2.51 H new ATOM 0 HG22 ILE A 44 32.453 -74.469 -7.859 1.00 2.51 H new ATOM 0 HG23 ILE A 44 34.126 -73.944 -8.161 1.00 2.51 H new ATOM 0 HD11 ILE A 44 34.211 -69.756 -7.394 1.00 64.30 H new ATOM 0 HD12 ILE A 44 32.534 -70.284 -7.120 1.00 64.30 H new ATOM 0 HD13 ILE A 44 33.887 -71.315 -6.599 1.00 64.30 H new ATOM 746 N GLU A 45 32.526 -71.173 -11.733 1.00 13.02 N ATOM 747 CA GLU A 45 31.927 -70.153 -12.585 1.00 51.33 C ATOM 748 C GLU A 45 30.947 -70.777 -13.575 1.00 44.00 C ATOM 749 O GLU A 45 29.968 -70.148 -13.976 1.00 42.33 O ATOM 750 CB GLU A 45 33.014 -69.386 -13.342 1.00 31.15 C ATOM 751 CG GLU A 45 33.638 -70.178 -14.478 1.00 41.34 C ATOM 752 CD GLU A 45 34.697 -69.390 -15.226 1.00 14.15 C ATOM 753 OE1 GLU A 45 35.554 -70.021 -15.879 1.00 11.20 O ATOM 754 OE2 GLU A 45 34.668 -68.143 -15.157 1.00 22.52 O ATOM 0 H GLU A 45 33.545 -71.151 -11.701 1.00 13.02 H new ATOM 0 HA GLU A 45 31.380 -69.459 -11.947 1.00 51.33 H new ATOM 0 HB2 GLU A 45 32.586 -68.467 -13.743 1.00 31.15 H new ATOM 0 HB3 GLU A 45 33.796 -69.094 -12.641 1.00 31.15 H new ATOM 0 HG2 GLU A 45 34.083 -71.090 -14.079 1.00 41.34 H new ATOM 0 HG3 GLU A 45 32.857 -70.483 -15.175 1.00 41.34 H new ATOM 761 N ASP A 46 31.219 -72.018 -13.965 1.00 3.55 N ATOM 762 CA ASP A 46 30.363 -72.728 -14.907 1.00 33.22 C ATOM 763 C ASP A 46 28.915 -72.736 -14.426 1.00 21.54 C ATOM 764 O ASP A 46 27.983 -72.792 -15.229 1.00 31.42 O ATOM 765 CB ASP A 46 30.858 -74.163 -15.097 1.00 40.44 C ATOM 766 CG ASP A 46 29.919 -74.991 -15.952 1.00 15.23 C ATOM 767 OD1 ASP A 46 29.301 -75.933 -15.413 1.00 23.54 O ATOM 768 OD2 ASP A 46 29.800 -74.696 -17.159 1.00 52.11 O ATOM 0 H ASP A 46 32.026 -72.553 -13.643 1.00 3.55 H new ATOM 0 HA ASP A 46 30.407 -72.207 -15.863 1.00 33.22 H new ATOM 0 HB2 ASP A 46 31.845 -74.146 -15.559 1.00 40.44 H new ATOM 0 HB3 ASP A 46 30.971 -74.637 -14.122 1.00 40.44 H new ATOM 773 N LEU A 47 28.734 -72.682 -13.111 1.00 11.43 N ATOM 774 CA LEU A 47 27.399 -72.684 -12.522 1.00 4.24 C ATOM 775 C LEU A 47 26.761 -71.302 -12.614 1.00 40.42 C ATOM 776 O LEU A 47 25.540 -71.175 -12.715 1.00 31.30 O ATOM 777 CB LEU A 47 27.466 -73.130 -11.060 1.00 64.30 C ATOM 778 CG LEU A 47 27.378 -74.637 -10.814 1.00 3.23 C ATOM 779 CD1 LEU A 47 28.647 -75.330 -11.285 1.00 3.21 C ATOM 780 CD2 LEU A 47 27.128 -74.923 -9.340 1.00 41.51 C ATOM 0 H LEU A 47 29.494 -72.636 -12.433 1.00 11.43 H new ATOM 0 HA LEU A 47 26.783 -73.387 -13.083 1.00 4.24 H new ATOM 0 HB2 LEU A 47 28.400 -72.766 -10.632 1.00 64.30 H new ATOM 0 HB3 LEU A 47 26.656 -72.645 -10.515 1.00 64.30 H new ATOM 0 HG LEU A 47 26.539 -75.031 -11.388 1.00 3.23 H new ATOM 0 HD11 LEU A 47 28.566 -76.401 -11.102 1.00 3.21 H new ATOM 0 HD12 LEU A 47 28.783 -75.154 -12.352 1.00 3.21 H new ATOM 0 HD13 LEU A 47 29.503 -74.932 -10.739 1.00 3.21 H new ATOM 0 HD21 LEU A 47 27.068 -76.000 -9.183 1.00 41.51 H new ATOM 0 HD22 LEU A 47 27.946 -74.515 -8.746 1.00 41.51 H new ATOM 0 HD23 LEU A 47 26.190 -74.459 -9.033 1.00 41.51 H new ATOM 792 N LEU A 48 27.594 -70.268 -12.581 1.00 43.54 N ATOM 793 CA LEU A 48 27.112 -68.893 -12.664 1.00 72.31 C ATOM 794 C LEU A 48 26.569 -68.589 -14.057 1.00 22.42 C ATOM 795 O LEU A 48 25.638 -67.799 -14.213 1.00 70.30 O ATOM 796 CB LEU A 48 28.236 -67.916 -12.318 1.00 2.51 C ATOM 797 CG LEU A 48 27.870 -66.431 -12.355 1.00 63.44 C ATOM 798 CD1 LEU A 48 28.706 -65.650 -11.354 1.00 5.11 C ATOM 799 CD2 LEU A 48 28.055 -65.872 -13.759 1.00 13.15 C ATOM 0 H LEU A 48 28.607 -70.355 -12.497 1.00 43.54 H new ATOM 0 HA LEU A 48 26.302 -68.774 -11.945 1.00 72.31 H new ATOM 0 HB2 LEU A 48 28.603 -68.154 -11.320 1.00 2.51 H new ATOM 0 HB3 LEU A 48 29.062 -68.084 -13.010 1.00 2.51 H new ATOM 0 HG LEU A 48 26.821 -66.328 -12.079 1.00 63.44 H new ATOM 0 HD11 LEU A 48 28.432 -64.596 -11.395 1.00 5.11 H new ATOM 0 HD12 LEU A 48 28.524 -66.034 -10.350 1.00 5.11 H new ATOM 0 HD13 LEU A 48 29.763 -65.760 -11.598 1.00 5.11 H new ATOM 0 HD21 LEU A 48 27.790 -64.815 -13.767 1.00 13.15 H new ATOM 0 HD22 LEU A 48 29.095 -65.988 -14.063 1.00 13.15 H new ATOM 0 HD23 LEU A 48 27.412 -66.413 -14.454 1.00 13.15 H new ATOM 811 N PHE A 49 27.156 -69.224 -15.066 1.00 43.33 N ATOM 812 CA PHE A 49 26.731 -69.022 -16.447 1.00 21.34 C ATOM 813 C PHE A 49 25.304 -69.520 -16.654 1.00 72.51 C ATOM 814 O PHE A 49 24.589 -69.041 -17.533 1.00 45.22 O ATOM 815 CB PHE A 49 27.680 -69.745 -17.405 1.00 51.44 C ATOM 816 CG PHE A 49 27.595 -69.247 -18.820 1.00 64.41 C ATOM 817 CD1 PHE A 49 28.160 -68.033 -19.177 1.00 21.53 C ATOM 818 CD2 PHE A 49 26.951 -69.994 -19.793 1.00 53.24 C ATOM 819 CE1 PHE A 49 28.085 -67.573 -20.478 1.00 34.12 C ATOM 820 CE2 PHE A 49 26.872 -69.539 -21.096 1.00 44.21 C ATOM 821 CZ PHE A 49 27.439 -68.326 -21.438 1.00 71.45 C ATOM 0 H PHE A 49 27.927 -69.882 -14.954 1.00 43.33 H new ATOM 0 HA PHE A 49 26.758 -67.953 -16.658 1.00 21.34 H new ATOM 0 HB2 PHE A 49 28.703 -69.628 -17.048 1.00 51.44 H new ATOM 0 HB3 PHE A 49 27.457 -70.812 -17.389 1.00 51.44 H new ATOM 0 HD1 PHE A 49 28.665 -67.439 -18.429 1.00 21.53 H new ATOM 0 HD2 PHE A 49 26.506 -70.942 -19.531 1.00 53.24 H new ATOM 0 HE1 PHE A 49 28.531 -66.626 -20.743 1.00 34.12 H new ATOM 0 HE2 PHE A 49 26.368 -70.131 -21.846 1.00 44.21 H new ATOM 0 HZ PHE A 49 27.377 -67.968 -22.455 1.00 71.45 H new ATOM 831 N ASN A 50 24.896 -70.487 -15.838 1.00 2.02 N ATOM 832 CA ASN A 50 23.555 -71.052 -15.932 1.00 10.10 C ATOM 833 C ASN A 50 22.567 -70.251 -15.090 1.00 11.34 C ATOM 834 O ASN A 50 21.369 -70.226 -15.373 1.00 30.31 O ATOM 835 CB ASN A 50 23.561 -72.513 -15.478 1.00 65.14 C ATOM 836 CG ASN A 50 23.991 -73.459 -16.583 1.00 24.32 C ATOM 837 OD1 ASN A 50 23.261 -74.382 -16.944 1.00 70.11 O ATOM 838 ND2 ASN A 50 25.183 -73.234 -17.124 1.00 53.25 N ATOM 0 H ASN A 50 25.475 -70.895 -15.104 1.00 2.02 H new ATOM 0 HA ASN A 50 23.240 -71.004 -16.974 1.00 10.10 H new ATOM 0 HB2 ASN A 50 24.233 -72.624 -14.627 1.00 65.14 H new ATOM 0 HB3 ASN A 50 22.564 -72.788 -15.135 1.00 65.14 H new ATOM 0 HD21 ASN A 50 25.527 -73.839 -17.870 1.00 53.25 H new ATOM 0 HD22 ASN A 50 25.755 -72.457 -16.793 1.00 53.25 H new ATOM 845 N LYS A 51 23.077 -69.595 -14.053 1.00 24.23 N ATOM 846 CA LYS A 51 22.242 -68.791 -13.169 1.00 1.21 C ATOM 847 C LYS A 51 22.619 -67.315 -13.258 1.00 74.34 C ATOM 848 O LYS A 51 22.598 -66.597 -12.259 1.00 34.23 O ATOM 849 CB LYS A 51 22.378 -69.276 -11.724 1.00 12.12 C ATOM 850 CG LYS A 51 21.282 -68.764 -10.805 1.00 30.00 C ATOM 851 CD LYS A 51 20.220 -69.823 -10.560 1.00 10.20 C ATOM 852 CE LYS A 51 19.030 -69.645 -11.491 1.00 65.00 C ATOM 853 NZ LYS A 51 18.280 -68.392 -11.199 1.00 32.51 N ATOM 0 H LYS A 51 24.066 -69.605 -13.804 1.00 24.23 H new ATOM 0 HA LYS A 51 21.206 -68.904 -13.488 1.00 1.21 H new ATOM 0 HB2 LYS A 51 22.370 -70.366 -11.713 1.00 12.12 H new ATOM 0 HB3 LYS A 51 23.345 -68.960 -11.333 1.00 12.12 H new ATOM 0 HG2 LYS A 51 21.717 -68.457 -9.854 1.00 30.00 H new ATOM 0 HG3 LYS A 51 20.821 -67.880 -11.245 1.00 30.00 H new ATOM 0 HD2 LYS A 51 20.652 -70.813 -10.705 1.00 10.20 H new ATOM 0 HD3 LYS A 51 19.884 -69.770 -9.524 1.00 10.20 H new ATOM 0 HE2 LYS A 51 19.377 -69.628 -12.524 1.00 65.00 H new ATOM 0 HE3 LYS A 51 18.361 -70.500 -11.393 1.00 65.00 H new ATOM 0 HZ1 LYS A 51 17.296 -68.494 -11.519 1.00 32.51 H new ATOM 0 HZ2 LYS A 51 18.294 -68.210 -10.175 1.00 32.51 H new ATOM 0 HZ3 LYS A 51 18.726 -67.596 -11.699 1.00 32.51 H new ATOM 867 N VAL A 52 22.962 -66.869 -14.463 1.00 14.34 N ATOM 868 CA VAL A 52 23.340 -65.478 -14.683 1.00 22.11 C ATOM 869 C VAL A 52 22.232 -64.530 -14.239 1.00 0.12 C ATOM 870 O VAL A 52 21.182 -64.441 -14.876 1.00 61.25 O ATOM 871 CB VAL A 52 23.664 -65.213 -16.165 1.00 45.30 C ATOM 872 CG1 VAL A 52 25.011 -65.816 -16.533 1.00 63.25 C ATOM 873 CG2 VAL A 52 22.562 -65.763 -17.058 1.00 4.42 C ATOM 0 H VAL A 52 22.986 -67.450 -15.301 1.00 14.34 H new ATOM 0 HA VAL A 52 24.232 -65.294 -14.085 1.00 22.11 H new ATOM 0 HB VAL A 52 23.721 -64.136 -16.320 1.00 45.30 H new ATOM 0 HG11 VAL A 52 25.223 -65.619 -17.584 1.00 63.25 H new ATOM 0 HG12 VAL A 52 25.790 -65.370 -15.916 1.00 63.25 H new ATOM 0 HG13 VAL A 52 24.986 -66.892 -16.364 1.00 63.25 H new ATOM 0 HG21 VAL A 52 22.808 -65.567 -18.102 1.00 4.42 H new ATOM 0 HG22 VAL A 52 22.470 -66.838 -16.903 1.00 4.42 H new ATOM 0 HG23 VAL A 52 21.617 -65.279 -16.810 1.00 4.42 H new ATOM 883 N THR A 53 22.472 -63.821 -13.140 1.00 42.32 N ATOM 884 CA THR A 53 21.495 -62.879 -12.610 1.00 12.15 C ATOM 885 C THR A 53 21.637 -61.511 -13.266 1.00 51.43 C ATOM 886 O THR A 53 20.652 -60.794 -13.451 1.00 2.11 O ATOM 887 CB THR A 53 21.638 -62.721 -11.084 1.00 12.20 C ATOM 888 OG1 THR A 53 20.653 -61.806 -10.592 1.00 15.32 O ATOM 889 CG2 THR A 53 23.028 -62.222 -10.720 1.00 12.34 C ATOM 0 H THR A 53 23.335 -63.882 -12.600 1.00 42.32 H new ATOM 0 HA THR A 53 20.509 -63.286 -12.836 1.00 12.15 H new ATOM 0 HB THR A 53 21.488 -63.698 -10.624 1.00 12.20 H new ATOM 0 HG1 THR A 53 20.750 -61.712 -9.621 1.00 15.32 H new ATOM 0 HG21 THR A 53 23.105 -62.118 -9.638 1.00 12.34 H new ATOM 0 HG22 THR A 53 23.774 -62.935 -11.070 1.00 12.34 H new ATOM 0 HG23 THR A 53 23.202 -61.254 -11.191 1.00 12.34 H new ATOM 897 N LEU A 54 22.867 -61.153 -13.618 1.00 61.40 N ATOM 898 CA LEU A 54 23.138 -59.870 -14.256 1.00 1.30 C ATOM 899 C LEU A 54 22.269 -59.683 -15.495 1.00 74.22 C ATOM 900 O LEU A 54 21.951 -58.558 -15.879 1.00 43.13 O ATOM 901 CB LEU A 54 24.616 -59.769 -14.636 1.00 43.12 C ATOM 902 CG LEU A 54 25.055 -60.589 -15.850 1.00 34.20 C ATOM 903 CD1 LEU A 54 26.422 -60.135 -16.336 1.00 2.23 C ATOM 904 CD2 LEU A 54 25.072 -62.073 -15.513 1.00 2.02 C ATOM 0 H LEU A 54 23.693 -61.734 -13.472 1.00 61.40 H new ATOM 0 HA LEU A 54 22.897 -59.081 -13.544 1.00 1.30 H new ATOM 0 HB2 LEU A 54 24.851 -58.722 -14.826 1.00 43.12 H new ATOM 0 HB3 LEU A 54 25.213 -60.079 -13.778 1.00 43.12 H new ATOM 0 HG LEU A 54 24.336 -60.427 -16.653 1.00 34.20 H new ATOM 0 HD11 LEU A 54 26.717 -60.730 -17.200 1.00 2.23 H new ATOM 0 HD12 LEU A 54 26.377 -59.083 -16.618 1.00 2.23 H new ATOM 0 HD13 LEU A 54 27.154 -60.266 -15.539 1.00 2.23 H new ATOM 0 HD21 LEU A 54 25.387 -62.641 -16.388 1.00 2.02 H new ATOM 0 HD22 LEU A 54 25.769 -62.252 -14.694 1.00 2.02 H new ATOM 0 HD23 LEU A 54 24.073 -62.390 -15.215 1.00 2.02 H new ATOM 916 N ALA A 55 21.885 -60.794 -16.115 1.00 71.33 N ATOM 917 CA ALA A 55 21.048 -60.753 -17.308 1.00 65.43 C ATOM 918 C ALA A 55 19.806 -59.900 -17.079 1.00 12.14 C ATOM 919 O ALA A 55 19.280 -59.288 -18.009 1.00 64.50 O ATOM 920 CB ALA A 55 20.654 -62.163 -17.725 1.00 13.43 C ATOM 0 H ALA A 55 22.140 -61.734 -15.811 1.00 71.33 H new ATOM 0 HA ALA A 55 21.626 -60.296 -18.111 1.00 65.43 H new ATOM 0 HB1 ALA A 55 20.029 -62.117 -18.617 1.00 13.43 H new ATOM 0 HB2 ALA A 55 21.551 -62.743 -17.940 1.00 13.43 H new ATOM 0 HB3 ALA A 55 20.099 -62.640 -16.917 1.00 13.43 H new ATOM 926 N ASP A 56 19.341 -59.864 -15.835 1.00 14.42 N ATOM 927 CA ASP A 56 18.159 -59.084 -15.483 1.00 22.41 C ATOM 928 C ASP A 56 18.357 -57.612 -15.827 1.00 4.52 C ATOM 929 O ASP A 56 17.417 -56.925 -16.226 1.00 21.22 O ATOM 930 CB ASP A 56 17.848 -59.236 -13.993 1.00 54.41 C ATOM 931 CG ASP A 56 16.384 -58.993 -13.680 1.00 61.33 C ATOM 932 OD1 ASP A 56 15.584 -58.881 -14.633 1.00 31.41 O ATOM 933 OD2 ASP A 56 16.039 -58.916 -12.483 1.00 34.41 O ATOM 0 H ASP A 56 19.764 -60.365 -15.054 1.00 14.42 H new ATOM 0 HA ASP A 56 17.317 -59.463 -16.063 1.00 22.41 H new ATOM 0 HB2 ASP A 56 18.125 -60.239 -13.667 1.00 54.41 H new ATOM 0 HB3 ASP A 56 18.459 -58.536 -13.424 1.00 54.41 H new ATOM 938 N ALA A 57 19.587 -57.132 -15.668 1.00 72.33 N ATOM 939 CA ALA A 57 19.908 -55.742 -15.963 1.00 5.51 C ATOM 940 C ALA A 57 19.574 -55.395 -17.410 1.00 23.31 C ATOM 941 O ALA A 57 19.329 -54.236 -17.740 1.00 41.04 O ATOM 942 CB ALA A 57 21.378 -55.468 -15.679 1.00 30.13 C ATOM 0 H ALA A 57 20.377 -57.686 -15.337 1.00 72.33 H new ATOM 0 HA ALA A 57 19.299 -55.110 -15.316 1.00 5.51 H new ATOM 0 HB1 ALA A 57 21.604 -54.426 -15.904 1.00 30.13 H new ATOM 0 HB2 ALA A 57 21.589 -55.666 -14.628 1.00 30.13 H new ATOM 0 HB3 ALA A 57 21.996 -56.115 -16.301 1.00 30.13 H new ATOM 948 N GLY A 58 19.567 -56.409 -18.270 1.00 21.51 N ATOM 949 CA GLY A 58 19.263 -56.191 -19.672 1.00 35.11 C ATOM 950 C GLY A 58 17.893 -55.576 -19.879 1.00 34.14 C ATOM 951 O GLY A 58 17.616 -54.997 -20.930 1.00 20.35 O ATOM 0 H GLY A 58 19.767 -57.378 -18.021 1.00 21.51 H new ATOM 0 HA2 GLY A 58 20.020 -55.539 -20.108 1.00 35.11 H new ATOM 0 HA3 GLY A 58 19.316 -57.141 -20.204 1.00 35.11 H new ATOM 955 N PHE A 59 17.031 -55.703 -18.875 1.00 3.55 N ATOM 956 CA PHE A 59 15.681 -55.157 -18.952 1.00 2.20 C ATOM 957 C PHE A 59 15.716 -53.638 -19.097 1.00 31.21 C ATOM 958 O PHE A 59 14.867 -53.048 -19.765 1.00 20.43 O ATOM 959 CB PHE A 59 14.880 -55.543 -17.707 1.00 72.42 C ATOM 960 CG PHE A 59 13.395 -55.403 -17.883 1.00 12.43 C ATOM 961 CD1 PHE A 59 12.805 -54.150 -17.933 1.00 5.31 C ATOM 962 CD2 PHE A 59 12.588 -56.523 -17.997 1.00 61.40 C ATOM 963 CE1 PHE A 59 11.439 -54.017 -18.095 1.00 2.53 C ATOM 964 CE2 PHE A 59 11.221 -56.396 -18.159 1.00 65.44 C ATOM 965 CZ PHE A 59 10.646 -55.142 -18.207 1.00 42.40 C ATOM 0 H PHE A 59 17.244 -56.179 -17.999 1.00 3.55 H new ATOM 0 HA PHE A 59 15.196 -55.578 -19.833 1.00 2.20 H new ATOM 0 HB2 PHE A 59 15.111 -56.575 -17.442 1.00 72.42 H new ATOM 0 HB3 PHE A 59 15.199 -54.920 -16.872 1.00 72.42 H new ATOM 0 HD1 PHE A 59 13.420 -53.267 -17.844 1.00 5.31 H new ATOM 0 HD2 PHE A 59 13.032 -57.507 -17.959 1.00 61.40 H new ATOM 0 HE1 PHE A 59 10.992 -53.035 -18.134 1.00 2.53 H new ATOM 0 HE2 PHE A 59 10.603 -57.277 -18.248 1.00 65.44 H new ATOM 0 HZ PHE A 59 9.578 -55.041 -18.332 1.00 42.40 H new ATOM 975 N MET A 60 16.704 -53.012 -18.466 1.00 33.03 N ATOM 976 CA MET A 60 16.850 -51.562 -18.525 1.00 31.24 C ATOM 977 C MET A 60 17.235 -51.111 -19.930 1.00 73.31 C ATOM 978 O MET A 60 16.711 -50.121 -20.441 1.00 74.30 O ATOM 979 CB MET A 60 17.904 -51.093 -17.519 1.00 74.25 C ATOM 980 CG MET A 60 17.910 -49.589 -17.303 1.00 13.31 C ATOM 981 SD MET A 60 18.987 -48.724 -18.462 1.00 21.50 S ATOM 982 CE MET A 60 20.326 -48.234 -17.378 1.00 40.21 C ATOM 0 H MET A 60 17.415 -53.485 -17.908 1.00 33.03 H new ATOM 0 HA MET A 60 15.890 -51.114 -18.270 1.00 31.24 H new ATOM 0 HB2 MET A 60 17.729 -51.588 -16.564 1.00 74.25 H new ATOM 0 HB3 MET A 60 18.889 -51.406 -17.865 1.00 74.25 H new ATOM 0 HG2 MET A 60 16.894 -49.208 -17.404 1.00 13.31 H new ATOM 0 HG3 MET A 60 18.232 -49.374 -16.284 1.00 13.31 H new ATOM 0 HE1 MET A 60 21.075 -47.687 -17.950 1.00 40.21 H new ATOM 0 HE2 MET A 60 19.937 -47.596 -16.585 1.00 40.21 H new ATOM 0 HE3 MET A 60 20.782 -49.121 -16.939 1.00 40.21 H new ATOM 992 N LYS A 61 18.154 -51.843 -20.551 1.00 34.33 N ATOM 993 CA LYS A 61 18.609 -51.520 -21.898 1.00 14.13 C ATOM 994 C LYS A 61 17.501 -51.761 -22.919 1.00 1.15 C ATOM 995 O LYS A 61 17.478 -51.139 -23.980 1.00 41.12 O ATOM 996 CB LYS A 61 19.839 -52.356 -22.257 1.00 71.11 C ATOM 997 CG LYS A 61 21.120 -51.864 -21.606 1.00 70.13 C ATOM 998 CD LYS A 61 22.262 -52.844 -21.813 1.00 24.54 C ATOM 999 CE LYS A 61 23.551 -52.339 -21.183 1.00 3.12 C ATOM 1000 NZ LYS A 61 23.947 -51.008 -21.722 1.00 22.44 N ATOM 0 H LYS A 61 18.599 -52.665 -20.142 1.00 34.33 H new ATOM 0 HA LYS A 61 18.876 -50.464 -21.921 1.00 14.13 H new ATOM 0 HB2 LYS A 61 19.664 -53.390 -21.960 1.00 71.11 H new ATOM 0 HB3 LYS A 61 19.967 -52.353 -23.339 1.00 71.11 H new ATOM 0 HG2 LYS A 61 21.392 -50.894 -22.022 1.00 70.13 H new ATOM 0 HG3 LYS A 61 20.954 -51.717 -20.539 1.00 70.13 H new ATOM 0 HD2 LYS A 61 21.998 -53.809 -21.380 1.00 24.54 H new ATOM 0 HD3 LYS A 61 22.416 -53.005 -22.880 1.00 24.54 H new ATOM 0 HE2 LYS A 61 23.425 -52.270 -20.103 1.00 3.12 H new ATOM 0 HE3 LYS A 61 24.350 -53.057 -21.366 1.00 3.12 H new ATOM 0 HZ1 LYS A 61 24.942 -50.820 -21.485 1.00 22.44 H new ATOM 0 HZ2 LYS A 61 23.830 -51.003 -22.755 1.00 22.44 H new ATOM 0 HZ3 LYS A 61 23.346 -50.271 -21.302 1.00 22.44 H new ATOM 1014 N GLN A 62 16.585 -52.666 -22.589 1.00 2.23 N ATOM 1015 CA GLN A 62 15.475 -52.987 -23.478 1.00 31.14 C ATOM 1016 C GLN A 62 14.724 -51.725 -23.889 1.00 44.15 C ATOM 1017 O GLN A 62 14.153 -51.658 -24.978 1.00 43.42 O ATOM 1018 CB GLN A 62 14.516 -53.966 -22.797 1.00 40.32 C ATOM 1019 CG GLN A 62 13.669 -54.766 -23.774 1.00 3.03 C ATOM 1020 CD GLN A 62 12.404 -54.038 -24.181 1.00 74.03 C ATOM 1021 OE1 GLN A 62 11.546 -53.745 -23.347 1.00 62.24 O ATOM 1022 NE2 GLN A 62 12.280 -53.741 -25.470 1.00 32.33 N ATOM 0 H GLN A 62 16.590 -53.189 -21.713 1.00 2.23 H new ATOM 0 HA GLN A 62 15.884 -53.453 -24.375 1.00 31.14 H new ATOM 0 HB2 GLN A 62 15.092 -54.655 -22.179 1.00 40.32 H new ATOM 0 HB3 GLN A 62 13.858 -53.411 -22.128 1.00 40.32 H new ATOM 0 HG2 GLN A 62 14.259 -54.987 -24.664 1.00 3.03 H new ATOM 0 HG3 GLN A 62 13.404 -55.722 -23.321 1.00 3.03 H new ATOM 0 HE21 GLN A 62 13.015 -54.003 -26.127 1.00 32.33 H new ATOM 0 HE22 GLN A 62 11.449 -53.251 -25.803 1.00 32.33 H new ATOM 1031 N TYR A 63 14.729 -50.727 -23.013 1.00 22.34 N ATOM 1032 CA TYR A 63 14.046 -49.468 -23.284 1.00 4.11 C ATOM 1033 C TYR A 63 14.633 -48.784 -24.515 1.00 25.01 C ATOM 1034 O TYR A 63 13.903 -48.320 -25.389 1.00 72.02 O ATOM 1035 CB TYR A 63 14.147 -48.538 -22.074 1.00 11.04 C ATOM 1036 CG TYR A 63 13.021 -48.714 -21.080 1.00 0.13 C ATOM 1037 CD1 TYR A 63 12.199 -47.648 -20.735 1.00 43.55 C ATOM 1038 CD2 TYR A 63 12.780 -49.946 -20.484 1.00 55.42 C ATOM 1039 CE1 TYR A 63 11.170 -47.803 -19.827 1.00 71.24 C ATOM 1040 CE2 TYR A 63 11.752 -50.111 -19.576 1.00 54.14 C ATOM 1041 CZ TYR A 63 10.950 -49.037 -19.251 1.00 53.20 C ATOM 1042 OH TYR A 63 9.926 -49.197 -18.346 1.00 14.10 O ATOM 0 H TYR A 63 15.199 -50.765 -22.108 1.00 22.34 H new ATOM 0 HA TYR A 63 12.996 -49.688 -23.478 1.00 4.11 H new ATOM 0 HB2 TYR A 63 15.097 -48.714 -21.569 1.00 11.04 H new ATOM 0 HB3 TYR A 63 14.157 -47.505 -22.420 1.00 11.04 H new ATOM 0 HD1 TYR A 63 12.368 -46.681 -21.185 1.00 43.55 H new ATOM 0 HD2 TYR A 63 13.407 -50.789 -20.735 1.00 55.42 H new ATOM 0 HE1 TYR A 63 10.541 -46.963 -19.569 1.00 71.24 H new ATOM 0 HE2 TYR A 63 11.577 -51.076 -19.123 1.00 54.14 H new ATOM 0 HH TYR A 63 9.906 -50.126 -18.035 1.00 14.10 H new ATOM 1052 N GLY A 64 15.961 -48.727 -24.576 1.00 15.54 N ATOM 1053 CA GLY A 64 16.625 -48.099 -25.703 1.00 0.33 C ATOM 1054 C GLY A 64 16.203 -46.656 -25.894 1.00 52.42 C ATOM 1055 O GLY A 64 15.294 -46.367 -26.672 1.00 44.42 O ATOM 0 H GLY A 64 16.588 -49.104 -23.865 1.00 15.54 H new ATOM 0 HA2 GLY A 64 17.704 -48.142 -25.555 1.00 0.33 H new ATOM 0 HA3 GLY A 64 16.405 -48.662 -26.610 1.00 0.33 H new ATOM 1059 N GLU A 65 16.863 -45.748 -25.182 1.00 12.24 N ATOM 1060 CA GLU A 65 16.548 -44.327 -25.276 1.00 30.21 C ATOM 1061 C GLU A 65 17.767 -43.476 -24.933 1.00 10.24 C ATOM 1062 O GLU A 65 18.795 -43.994 -24.498 1.00 42.32 O ATOM 1063 CB GLU A 65 15.388 -43.976 -24.342 1.00 73.11 C ATOM 1064 CG GLU A 65 14.662 -42.698 -24.727 1.00 72.13 C ATOM 1065 CD GLU A 65 13.529 -42.943 -25.705 1.00 41.43 C ATOM 1066 OE1 GLU A 65 12.365 -43.009 -25.259 1.00 34.02 O ATOM 1067 OE2 GLU A 65 13.807 -43.068 -26.916 1.00 53.22 O ATOM 0 H GLU A 65 17.619 -45.971 -24.534 1.00 12.24 H new ATOM 0 HA GLU A 65 16.255 -44.113 -26.304 1.00 30.21 H new ATOM 0 HB2 GLU A 65 14.675 -44.801 -24.336 1.00 73.11 H new ATOM 0 HB3 GLU A 65 15.769 -43.876 -23.326 1.00 73.11 H new ATOM 0 HG2 GLU A 65 14.266 -42.225 -23.829 1.00 72.13 H new ATOM 0 HG3 GLU A 65 15.373 -41.999 -25.168 1.00 72.13 H new TER 1074 GLU A 65