USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 527 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -157:sc= -0.224 (180deg=-1.01) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0129 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.0426 K(o=-0.043,f=-4.1!) USER MOD Single : A 13 LYS NZ :NH3+ 168:sc=-0.00326 (180deg=-0.104) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -3.57 K(o=-3.6,f=-4.3) USER MOD Single : A 20 GLN : amide:sc= -1.11 X(o=-1.1,f=-0.91) USER MOD Single : A 29 HIS : no HD1:sc= -0.891 K(o=-0.89,f=-3.1) USER MOD Single : A 31 THR OG1 : rot -52:sc= -0.339 USER MOD Single : A 40 THR OG1 : rot 60:sc= 0.12 USER MOD Single : A 42 ASN : amide:sc= 0.00846 X(o=0.0085,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.529 K(o=-0.53,f=-1.1) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 GLN : amide:sc= -1.53 K(o=-1.5,f=-2.3) USER MOD Single : A 63 LYS NZ :NH3+ -109:sc= -0.257 (180deg=-1.12) USER MOD Single : A 64 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.00351) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.337 1.670 -1.074 1.00 64.20 N ATOM 2 CA MET A 1 1.901 0.344 -1.300 1.00 21.10 C ATOM 3 C MET A 1 1.122 -0.401 -2.379 1.00 33.53 C ATOM 4 O MET A 1 0.525 -1.447 -2.118 1.00 42.42 O ATOM 5 CB MET A 1 1.896 -0.464 -0.001 1.00 4.12 C ATOM 6 CG MET A 1 2.888 -1.616 0.002 1.00 2.21 C ATOM 7 SD MET A 1 2.542 -2.827 1.292 1.00 2.03 S ATOM 8 CE MET A 1 4.183 -3.479 1.593 1.00 30.23 C ATOM 0 H1 MET A 1 2.062 2.289 -0.658 1.00 64.20 H new ATOM 0 H2 MET A 1 1.018 2.070 -1.979 1.00 64.20 H new ATOM 0 H3 MET A 1 0.529 1.597 -0.423 1.00 64.20 H new ATOM 0 HA MET A 1 2.930 0.467 -1.639 1.00 21.10 H new ATOM 0 HB2 MET A 1 2.122 0.202 0.832 1.00 4.12 H new ATOM 0 HB3 MET A 1 0.894 -0.858 0.168 1.00 4.12 H new ATOM 0 HG2 MET A 1 2.868 -2.110 -0.969 1.00 2.21 H new ATOM 0 HG3 MET A 1 3.895 -1.223 0.139 1.00 2.21 H new ATOM 0 HE1 MET A 1 4.134 -4.242 2.370 1.00 30.23 H new ATOM 0 HE2 MET A 1 4.574 -3.919 0.675 1.00 30.23 H new ATOM 0 HE3 MET A 1 4.841 -2.673 1.917 1.00 30.23 H new ATOM 18 N LYS A 2 1.130 0.142 -3.591 1.00 43.30 N ATOM 19 CA LYS A 2 0.425 -0.471 -4.710 1.00 63.13 C ATOM 20 C LYS A 2 1.338 -0.594 -5.926 1.00 72.43 C ATOM 21 O LYS A 2 2.285 0.176 -6.086 1.00 31.04 O ATOM 22 CB LYS A 2 -0.814 0.351 -5.071 1.00 34.31 C ATOM 23 CG LYS A 2 -1.865 0.379 -3.975 1.00 12.44 C ATOM 24 CD LYS A 2 -2.498 -0.987 -3.772 1.00 63.35 C ATOM 25 CE LYS A 2 -3.912 -0.871 -3.225 1.00 71.51 C ATOM 26 NZ LYS A 2 -4.691 -2.124 -3.431 1.00 41.12 N ATOM 0 H LYS A 2 1.618 1.007 -3.824 1.00 43.30 H new ATOM 0 HA LYS A 2 0.114 -1.471 -4.407 1.00 63.13 H new ATOM 0 HB2 LYS A 2 -0.509 1.373 -5.297 1.00 34.31 H new ATOM 0 HB3 LYS A 2 -1.258 -0.057 -5.979 1.00 34.31 H new ATOM 0 HG2 LYS A 2 -1.410 0.712 -3.042 1.00 12.44 H new ATOM 0 HG3 LYS A 2 -2.638 1.104 -4.230 1.00 12.44 H new ATOM 0 HD2 LYS A 2 -2.517 -1.525 -4.720 1.00 63.35 H new ATOM 0 HD3 LYS A 2 -1.888 -1.573 -3.085 1.00 63.35 H new ATOM 0 HE2 LYS A 2 -3.872 -0.639 -2.161 1.00 71.51 H new ATOM 0 HE3 LYS A 2 -4.423 -0.041 -3.713 1.00 71.51 H new ATOM 0 HZ1 LYS A 2 -5.649 -2.005 -3.045 1.00 41.12 H new ATOM 0 HZ2 LYS A 2 -4.751 -2.332 -4.448 1.00 41.12 H new ATOM 0 HZ3 LYS A 2 -4.217 -2.911 -2.944 1.00 41.12 H new ATOM 40 N LYS A 3 1.046 -1.567 -6.783 1.00 21.31 N ATOM 41 CA LYS A 3 1.838 -1.790 -7.987 1.00 21.43 C ATOM 42 C LYS A 3 0.944 -1.860 -9.221 1.00 24.12 C ATOM 43 O LYS A 3 -0.092 -2.523 -9.212 1.00 62.21 O ATOM 44 CB LYS A 3 2.648 -3.082 -7.857 1.00 21.31 C ATOM 45 CG LYS A 3 3.395 -3.202 -6.540 1.00 34.54 C ATOM 46 CD LYS A 3 4.669 -4.015 -6.693 1.00 44.02 C ATOM 47 CE LYS A 3 4.383 -5.509 -6.686 1.00 14.32 C ATOM 48 NZ LYS A 3 5.569 -6.299 -6.254 1.00 35.02 N ATOM 0 H LYS A 3 0.266 -2.214 -6.666 1.00 21.31 H new ATOM 0 HA LYS A 3 2.522 -0.949 -8.103 1.00 21.43 H new ATOM 0 HB2 LYS A 3 1.977 -3.934 -7.963 1.00 21.31 H new ATOM 0 HB3 LYS A 3 3.364 -3.136 -8.677 1.00 21.31 H new ATOM 0 HG2 LYS A 3 3.640 -2.207 -6.168 1.00 34.54 H new ATOM 0 HG3 LYS A 3 2.750 -3.671 -5.797 1.00 34.54 H new ATOM 0 HD2 LYS A 3 5.165 -3.743 -7.625 1.00 44.02 H new ATOM 0 HD3 LYS A 3 5.356 -3.772 -5.883 1.00 44.02 H new ATOM 0 HE2 LYS A 3 3.546 -5.715 -6.018 1.00 14.32 H new ATOM 0 HE3 LYS A 3 4.080 -5.825 -7.684 1.00 14.32 H new ATOM 0 HZ1 LYS A 3 5.333 -7.312 -6.263 1.00 35.02 H new ATOM 0 HZ2 LYS A 3 6.360 -6.122 -6.906 1.00 35.02 H new ATOM 0 HZ3 LYS A 3 5.843 -6.016 -5.292 1.00 35.02 H new ATOM 62 N GLY A 4 1.354 -1.172 -10.282 1.00 52.23 N ATOM 63 CA GLY A 4 0.579 -1.170 -11.509 1.00 61.55 C ATOM 64 C GLY A 4 1.308 -0.495 -12.654 1.00 73.24 C ATOM 65 O GLY A 4 2.361 0.111 -12.459 1.00 4.52 O ATOM 0 H GLY A 4 2.209 -0.616 -10.314 1.00 52.23 H new ATOM 0 HA2 GLY A 4 0.343 -2.197 -11.788 1.00 61.55 H new ATOM 0 HA3 GLY A 4 -0.369 -0.661 -11.335 1.00 61.55 H new ATOM 69 N THR A 5 0.747 -0.601 -13.855 1.00 40.02 N ATOM 70 CA THR A 5 1.351 0.002 -15.037 1.00 23.34 C ATOM 71 C THR A 5 0.940 1.463 -15.180 1.00 24.42 C ATOM 72 O THR A 5 -0.162 1.849 -14.790 1.00 43.13 O ATOM 73 CB THR A 5 0.959 -0.758 -16.318 1.00 20.12 C ATOM 74 OG1 THR A 5 -0.447 -1.032 -16.314 1.00 45.32 O ATOM 75 CG2 THR A 5 1.734 -2.062 -16.433 1.00 3.14 C ATOM 0 H THR A 5 -0.125 -1.099 -14.035 1.00 40.02 H new ATOM 0 HA THR A 5 2.431 -0.057 -14.905 1.00 23.34 H new ATOM 0 HB THR A 5 1.205 -0.131 -17.175 1.00 20.12 H new ATOM 0 HG1 THR A 5 -0.689 -1.514 -17.132 1.00 45.32 H new ATOM 0 HG21 THR A 5 1.440 -2.581 -17.345 1.00 3.14 H new ATOM 0 HG22 THR A 5 2.802 -1.849 -16.465 1.00 3.14 H new ATOM 0 HG23 THR A 5 1.516 -2.692 -15.571 1.00 3.14 H new ATOM 83 N VAL A 6 1.833 2.271 -15.742 1.00 1.31 N ATOM 84 CA VAL A 6 1.562 3.690 -15.938 1.00 42.44 C ATOM 85 C VAL A 6 0.805 3.930 -17.240 1.00 1.33 C ATOM 86 O VAL A 6 1.026 3.242 -18.236 1.00 62.40 O ATOM 87 CB VAL A 6 2.864 4.513 -15.956 1.00 2.24 C ATOM 88 CG1 VAL A 6 3.385 4.660 -17.377 1.00 73.23 C ATOM 89 CG2 VAL A 6 2.641 5.876 -15.318 1.00 1.14 C ATOM 0 H VAL A 6 2.750 1.967 -16.069 1.00 1.31 H new ATOM 0 HA VAL A 6 0.947 4.014 -15.098 1.00 42.44 H new ATOM 0 HB VAL A 6 3.616 3.982 -15.373 1.00 2.24 H new ATOM 0 HG11 VAL A 6 4.305 5.244 -17.369 1.00 73.23 H new ATOM 0 HG12 VAL A 6 3.585 3.673 -17.795 1.00 73.23 H new ATOM 0 HG13 VAL A 6 2.638 5.168 -17.988 1.00 73.23 H new ATOM 0 HG21 VAL A 6 3.571 6.444 -15.339 1.00 1.14 H new ATOM 0 HG22 VAL A 6 1.873 6.416 -15.872 1.00 1.14 H new ATOM 0 HG23 VAL A 6 2.319 5.746 -14.285 1.00 1.14 H new ATOM 99 N LYS A 7 -0.090 4.912 -17.225 1.00 3.53 N ATOM 100 CA LYS A 7 -0.880 5.246 -18.404 1.00 1.33 C ATOM 101 C LYS A 7 -0.285 6.445 -19.136 1.00 11.12 C ATOM 102 O LYS A 7 -0.415 6.567 -20.354 1.00 23.21 O ATOM 103 CB LYS A 7 -2.327 5.545 -18.005 1.00 41.22 C ATOM 104 CG LYS A 7 -3.312 5.420 -19.154 1.00 74.02 C ATOM 105 CD LYS A 7 -4.535 4.610 -18.755 1.00 3.53 C ATOM 106 CE LYS A 7 -5.657 5.506 -18.254 1.00 11.34 C ATOM 107 NZ LYS A 7 -6.856 4.720 -17.851 1.00 12.42 N ATOM 0 H LYS A 7 -0.286 5.491 -16.408 1.00 3.53 H new ATOM 0 HA LYS A 7 -0.865 4.388 -19.076 1.00 1.33 H new ATOM 0 HB2 LYS A 7 -2.623 4.864 -17.207 1.00 41.22 H new ATOM 0 HB3 LYS A 7 -2.382 6.555 -17.598 1.00 41.22 H new ATOM 0 HG2 LYS A 7 -3.622 6.413 -19.478 1.00 74.02 H new ATOM 0 HG3 LYS A 7 -2.822 4.946 -20.004 1.00 74.02 H new ATOM 0 HD2 LYS A 7 -4.884 4.031 -19.610 1.00 3.53 H new ATOM 0 HD3 LYS A 7 -4.263 3.897 -17.977 1.00 3.53 H new ATOM 0 HE2 LYS A 7 -5.303 6.090 -17.405 1.00 11.34 H new ATOM 0 HE3 LYS A 7 -5.933 6.214 -19.035 1.00 11.34 H new ATOM 0 HZ1 LYS A 7 -7.598 5.367 -17.515 1.00 12.42 H new ATOM 0 HZ2 LYS A 7 -7.209 4.182 -18.668 1.00 12.42 H new ATOM 0 HZ3 LYS A 7 -6.599 4.062 -17.088 1.00 12.42 H new ATOM 121 N TRP A 8 0.367 7.326 -18.386 1.00 63.20 N ATOM 122 CA TRP A 8 0.983 8.514 -18.965 1.00 4.40 C ATOM 123 C TRP A 8 1.744 9.304 -17.906 1.00 12.34 C ATOM 124 O TRP A 8 1.262 9.484 -16.787 1.00 4.22 O ATOM 125 CB TRP A 8 -0.081 9.401 -19.614 1.00 22.12 C ATOM 126 CG TRP A 8 -0.812 10.266 -18.632 1.00 74.25 C ATOM 127 CD1 TRP A 8 -0.385 11.452 -18.107 1.00 22.40 C ATOM 128 CD2 TRP A 8 -2.099 10.011 -18.058 1.00 61.11 C ATOM 129 NE1 TRP A 8 -1.328 11.949 -17.240 1.00 41.25 N ATOM 130 CE2 TRP A 8 -2.389 11.084 -17.194 1.00 13.54 C ATOM 131 CE3 TRP A 8 -3.035 8.982 -18.191 1.00 64.44 C ATOM 132 CZ2 TRP A 8 -3.575 11.155 -16.467 1.00 22.11 C ATOM 133 CZ3 TRP A 8 -4.211 9.053 -17.469 1.00 65.22 C ATOM 134 CH2 TRP A 8 -4.473 10.133 -16.616 1.00 41.35 C ATOM 0 H TRP A 8 0.483 7.240 -17.376 1.00 63.20 H new ATOM 0 HA TRP A 8 1.691 8.190 -19.728 1.00 4.40 H new ATOM 0 HB2 TRP A 8 0.392 10.035 -20.364 1.00 22.12 H new ATOM 0 HB3 TRP A 8 -0.800 8.770 -20.137 1.00 22.12 H new ATOM 0 HD1 TRP A 8 0.556 11.929 -18.339 1.00 22.40 H new ATOM 0 HE1 TRP A 8 -1.251 12.821 -16.716 1.00 41.25 H new ATOM 0 HE3 TRP A 8 -2.843 8.146 -18.847 1.00 64.44 H new ATOM 0 HZ2 TRP A 8 -3.779 11.987 -15.809 1.00 22.11 H new ATOM 0 HZ3 TRP A 8 -4.941 8.262 -17.564 1.00 65.22 H new ATOM 0 HH2 TRP A 8 -5.402 10.160 -16.065 1.00 41.35 H new ATOM 145 N PHE A 9 2.934 9.774 -18.265 1.00 12.33 N ATOM 146 CA PHE A 9 3.761 10.545 -17.344 1.00 22.13 C ATOM 147 C PHE A 9 4.377 11.751 -18.046 1.00 5.53 C ATOM 148 O PHE A 9 5.383 11.630 -18.744 1.00 73.34 O ATOM 149 CB PHE A 9 4.865 9.663 -16.757 1.00 4.11 C ATOM 150 CG PHE A 9 5.906 10.433 -15.996 1.00 4.13 C ATOM 151 CD1 PHE A 9 5.642 10.908 -14.721 1.00 72.21 C ATOM 152 CD2 PHE A 9 7.150 10.682 -16.554 1.00 74.34 C ATOM 153 CE1 PHE A 9 6.598 11.617 -14.019 1.00 13.20 C ATOM 154 CE2 PHE A 9 8.110 11.390 -15.857 1.00 12.32 C ATOM 155 CZ PHE A 9 7.834 11.858 -14.587 1.00 34.30 C ATOM 0 H PHE A 9 3.347 9.634 -19.187 1.00 12.33 H new ATOM 0 HA PHE A 9 3.124 10.904 -16.536 1.00 22.13 H new ATOM 0 HB2 PHE A 9 4.415 8.924 -16.095 1.00 4.11 H new ATOM 0 HB3 PHE A 9 5.349 9.114 -17.565 1.00 4.11 H new ATOM 0 HD1 PHE A 9 4.678 10.722 -14.271 1.00 72.21 H new ATOM 0 HD2 PHE A 9 7.372 10.318 -17.546 1.00 74.34 H new ATOM 0 HE1 PHE A 9 6.379 11.983 -13.027 1.00 13.20 H new ATOM 0 HE2 PHE A 9 9.075 11.577 -16.304 1.00 12.32 H new ATOM 0 HZ PHE A 9 8.583 12.411 -14.039 1.00 34.30 H new ATOM 165 N ASN A 10 3.766 12.916 -17.854 1.00 60.14 N ATOM 166 CA ASN A 10 4.253 14.145 -18.470 1.00 2.23 C ATOM 167 C ASN A 10 5.541 14.615 -17.800 1.00 51.41 C ATOM 168 O ASN A 10 5.533 15.038 -16.644 1.00 50.14 O ATOM 169 CB ASN A 10 3.189 15.241 -18.381 1.00 2.14 C ATOM 170 CG ASN A 10 3.304 16.251 -19.506 1.00 1.32 C ATOM 171 OD1 ASN A 10 4.354 16.863 -19.701 1.00 25.10 O ATOM 172 ND2 ASN A 10 2.221 16.431 -20.252 1.00 73.35 N ATOM 0 H ASN A 10 2.933 13.035 -17.277 1.00 60.14 H new ATOM 0 HA ASN A 10 4.464 13.938 -19.519 1.00 2.23 H new ATOM 0 HB2 ASN A 10 2.199 14.785 -18.405 1.00 2.14 H new ATOM 0 HB3 ASN A 10 3.280 15.755 -17.424 1.00 2.14 H new ATOM 0 HD21 ASN A 10 2.238 17.099 -21.023 1.00 73.35 H new ATOM 0 HD22 ASN A 10 1.372 15.902 -20.054 1.00 73.35 H new ATOM 179 N ALA A 11 6.646 14.539 -18.535 1.00 55.11 N ATOM 180 CA ALA A 11 7.940 14.959 -18.014 1.00 4.10 C ATOM 181 C ALA A 11 8.088 16.476 -18.068 1.00 30.11 C ATOM 182 O ALA A 11 8.738 17.076 -17.212 1.00 71.43 O ATOM 183 CB ALA A 11 9.064 14.290 -18.791 1.00 23.42 C ATOM 0 H ALA A 11 6.670 14.190 -19.493 1.00 55.11 H new ATOM 0 HA ALA A 11 8.001 14.651 -16.970 1.00 4.10 H new ATOM 0 HB1 ALA A 11 10.025 14.613 -18.391 1.00 23.42 H new ATOM 0 HB2 ALA A 11 8.977 13.208 -18.697 1.00 23.42 H new ATOM 0 HB3 ALA A 11 8.996 14.570 -19.842 1.00 23.42 H new ATOM 189 N GLU A 12 7.481 17.089 -19.079 1.00 42.51 N ATOM 190 CA GLU A 12 7.548 18.537 -19.244 1.00 75.32 C ATOM 191 C GLU A 12 6.916 19.250 -18.052 1.00 22.22 C ATOM 192 O GLU A 12 7.518 20.145 -17.459 1.00 4.12 O ATOM 193 CB GLU A 12 6.843 18.958 -20.536 1.00 22.14 C ATOM 194 CG GLU A 12 6.775 20.464 -20.728 1.00 72.54 C ATOM 195 CD GLU A 12 6.816 20.867 -22.190 1.00 11.05 C ATOM 196 OE1 GLU A 12 6.002 20.338 -22.975 1.00 10.01 O ATOM 197 OE2 GLU A 12 7.663 21.713 -22.547 1.00 74.42 O ATOM 0 H GLU A 12 6.938 16.607 -19.795 1.00 42.51 H new ATOM 0 HA GLU A 12 8.598 18.823 -19.301 1.00 75.32 H new ATOM 0 HB2 GLU A 12 7.363 18.515 -21.385 1.00 22.14 H new ATOM 0 HB3 GLU A 12 5.831 18.554 -20.536 1.00 22.14 H new ATOM 0 HG2 GLU A 12 5.859 20.843 -20.276 1.00 72.54 H new ATOM 0 HG3 GLU A 12 7.607 20.932 -20.202 1.00 72.54 H new ATOM 204 N LYS A 13 5.698 18.847 -17.706 1.00 23.40 N ATOM 205 CA LYS A 13 4.983 19.445 -16.585 1.00 25.33 C ATOM 206 C LYS A 13 5.507 18.907 -15.257 1.00 1.33 C ATOM 207 O LYS A 13 5.476 19.600 -14.240 1.00 64.33 O ATOM 208 CB LYS A 13 3.483 19.167 -16.703 1.00 42.33 C ATOM 209 CG LYS A 13 2.856 19.744 -17.961 1.00 34.43 C ATOM 210 CD LYS A 13 1.394 19.349 -18.086 1.00 34.25 C ATOM 211 CE LYS A 13 0.507 20.206 -17.195 1.00 30.42 C ATOM 212 NZ LYS A 13 0.352 21.587 -17.730 1.00 70.52 N ATOM 0 H LYS A 13 5.185 18.108 -18.187 1.00 23.40 H new ATOM 0 HA LYS A 13 5.150 20.522 -16.613 1.00 25.33 H new ATOM 0 HB2 LYS A 13 3.319 18.090 -16.686 1.00 42.33 H new ATOM 0 HB3 LYS A 13 2.975 19.580 -15.831 1.00 42.33 H new ATOM 0 HG2 LYS A 13 2.940 20.831 -17.945 1.00 34.43 H new ATOM 0 HG3 LYS A 13 3.405 19.394 -18.836 1.00 34.43 H new ATOM 0 HD2 LYS A 13 1.076 19.451 -19.124 1.00 34.25 H new ATOM 0 HD3 LYS A 13 1.275 18.299 -17.818 1.00 34.25 H new ATOM 0 HE2 LYS A 13 -0.474 19.740 -17.103 1.00 30.42 H new ATOM 0 HE3 LYS A 13 0.934 20.251 -16.193 1.00 30.42 H new ATOM 0 HZ1 LYS A 13 -0.410 22.074 -17.217 1.00 70.52 H new ATOM 0 HZ2 LYS A 13 1.243 22.110 -17.605 1.00 70.52 H new ATOM 0 HZ3 LYS A 13 0.115 21.543 -18.742 1.00 70.52 H new ATOM 226 N GLY A 14 5.989 17.668 -15.273 1.00 42.24 N ATOM 227 CA GLY A 14 6.514 17.060 -14.065 1.00 31.02 C ATOM 228 C GLY A 14 5.445 16.342 -13.266 1.00 14.15 C ATOM 229 O GLY A 14 5.503 16.299 -12.036 1.00 73.54 O ATOM 0 H GLY A 14 6.025 17.074 -16.102 1.00 42.24 H new ATOM 0 HA2 GLY A 14 7.301 16.354 -14.330 1.00 31.02 H new ATOM 0 HA3 GLY A 14 6.972 17.830 -13.444 1.00 31.02 H new ATOM 233 N TYR A 15 4.465 15.779 -13.964 1.00 14.25 N ATOM 234 CA TYR A 15 3.375 15.063 -13.311 1.00 11.42 C ATOM 235 C TYR A 15 3.004 13.806 -14.092 1.00 1.24 C ATOM 236 O TYR A 15 3.452 13.608 -15.220 1.00 21.40 O ATOM 237 CB TYR A 15 2.151 15.971 -13.173 1.00 23.14 C ATOM 238 CG TYR A 15 2.481 17.360 -12.676 1.00 11.34 C ATOM 239 CD1 TYR A 15 2.951 17.564 -11.384 1.00 64.31 C ATOM 240 CD2 TYR A 15 2.321 18.470 -13.497 1.00 30.53 C ATOM 241 CE1 TYR A 15 3.253 18.831 -10.925 1.00 42.42 C ATOM 242 CE2 TYR A 15 2.622 19.741 -13.047 1.00 33.51 C ATOM 243 CZ TYR A 15 3.087 19.916 -11.760 1.00 42.45 C ATOM 244 OH TYR A 15 3.386 21.181 -11.308 1.00 45.11 O ATOM 0 H TYR A 15 4.403 15.804 -14.982 1.00 14.25 H new ATOM 0 HA TYR A 15 3.713 14.766 -12.318 1.00 11.42 H new ATOM 0 HB2 TYR A 15 1.656 16.049 -14.141 1.00 23.14 H new ATOM 0 HB3 TYR A 15 1.441 15.508 -12.488 1.00 23.14 H new ATOM 0 HD1 TYR A 15 3.082 16.717 -10.727 1.00 64.31 H new ATOM 0 HD2 TYR A 15 1.955 18.337 -14.504 1.00 30.53 H new ATOM 0 HE1 TYR A 15 3.617 18.971 -9.918 1.00 42.42 H new ATOM 0 HE2 TYR A 15 2.494 20.593 -13.699 1.00 33.51 H new ATOM 0 HH TYR A 15 3.215 21.832 -12.020 1.00 45.11 H new ATOM 254 N GLY A 16 2.181 12.959 -13.481 1.00 13.42 N ATOM 255 CA GLY A 16 1.762 11.732 -14.132 1.00 70.02 C ATOM 256 C GLY A 16 0.704 10.988 -13.342 1.00 23.35 C ATOM 257 O GLY A 16 0.383 11.363 -12.214 1.00 23.13 O ATOM 0 H GLY A 16 1.797 13.101 -12.547 1.00 13.42 H new ATOM 0 HA2 GLY A 16 1.374 11.965 -15.124 1.00 70.02 H new ATOM 0 HA3 GLY A 16 2.628 11.085 -14.273 1.00 70.02 H new ATOM 261 N PHE A 17 0.160 9.930 -13.934 1.00 53.32 N ATOM 262 CA PHE A 17 -0.870 9.133 -13.279 1.00 34.21 C ATOM 263 C PHE A 17 -0.678 7.648 -13.573 1.00 22.01 C ATOM 264 O PHE A 17 -0.537 7.247 -14.728 1.00 72.55 O ATOM 265 CB PHE A 17 -2.260 9.579 -13.738 1.00 51.21 C ATOM 266 CG PHE A 17 -2.679 10.907 -13.176 1.00 52.50 C ATOM 267 CD1 PHE A 17 -2.171 12.087 -13.697 1.00 74.55 C ATOM 268 CD2 PHE A 17 -3.581 10.977 -12.127 1.00 12.23 C ATOM 269 CE1 PHE A 17 -2.555 13.310 -13.182 1.00 1.05 C ATOM 270 CE2 PHE A 17 -3.969 12.198 -11.607 1.00 23.12 C ATOM 271 CZ PHE A 17 -3.456 13.366 -12.136 1.00 25.22 C ATOM 0 H PHE A 17 0.416 9.605 -14.866 1.00 53.32 H new ATOM 0 HA PHE A 17 -0.783 9.287 -12.203 1.00 34.21 H new ATOM 0 HB2 PHE A 17 -2.274 9.633 -14.827 1.00 51.21 H new ATOM 0 HB3 PHE A 17 -2.990 8.824 -13.447 1.00 51.21 H new ATOM 0 HD1 PHE A 17 -1.467 12.050 -14.515 1.00 74.55 H new ATOM 0 HD2 PHE A 17 -3.986 10.067 -11.710 1.00 12.23 H new ATOM 0 HE1 PHE A 17 -2.151 14.222 -13.597 1.00 1.05 H new ATOM 0 HE2 PHE A 17 -4.672 12.238 -10.788 1.00 23.12 H new ATOM 0 HZ PHE A 17 -3.758 14.321 -11.733 1.00 25.22 H new ATOM 281 N ILE A 18 -0.672 6.838 -12.519 1.00 51.34 N ATOM 282 CA ILE A 18 -0.497 5.398 -12.664 1.00 53.51 C ATOM 283 C ILE A 18 -1.841 4.678 -12.655 1.00 33.01 C ATOM 284 O ILE A 18 -2.766 5.080 -11.950 1.00 34.54 O ATOM 285 CB ILE A 18 0.388 4.823 -11.543 1.00 44.41 C ATOM 286 CG1 ILE A 18 1.765 5.491 -11.558 1.00 11.34 C ATOM 287 CG2 ILE A 18 0.524 3.316 -11.696 1.00 34.24 C ATOM 288 CD1 ILE A 18 2.453 5.487 -10.211 1.00 21.44 C ATOM 0 H ILE A 18 -0.786 7.154 -11.556 1.00 51.34 H new ATOM 0 HA ILE A 18 -0.006 5.234 -13.623 1.00 53.51 H new ATOM 0 HB ILE A 18 -0.086 5.030 -10.584 1.00 44.41 H new ATOM 0 HG12 ILE A 18 2.400 4.981 -12.283 1.00 11.34 H new ATOM 0 HG13 ILE A 18 1.657 6.521 -11.899 1.00 11.34 H new ATOM 0 HG21 ILE A 18 1.152 2.924 -10.896 1.00 34.24 H new ATOM 0 HG22 ILE A 18 -0.462 2.854 -11.642 1.00 34.24 H new ATOM 0 HG23 ILE A 18 0.979 3.088 -12.660 1.00 34.24 H new ATOM 0 HD11 ILE A 18 3.423 5.976 -10.297 1.00 21.44 H new ATOM 0 HD12 ILE A 18 1.839 6.023 -9.487 1.00 21.44 H new ATOM 0 HD13 ILE A 18 2.593 4.459 -9.877 1.00 21.44 H new ATOM 300 N GLN A 19 -1.940 3.611 -13.441 1.00 41.14 N ATOM 301 CA GLN A 19 -3.171 2.834 -13.523 1.00 22.34 C ATOM 302 C GLN A 19 -2.917 1.373 -13.163 1.00 51.50 C ATOM 303 O GLN A 19 -2.236 0.655 -13.893 1.00 63.34 O ATOM 304 CB GLN A 19 -3.767 2.929 -14.928 1.00 14.11 C ATOM 305 CG GLN A 19 -4.749 4.078 -15.096 1.00 22.25 C ATOM 306 CD GLN A 19 -4.518 5.194 -14.096 1.00 25.32 C ATOM 307 OE1 GLN A 19 -5.114 5.211 -13.019 1.00 2.24 O ATOM 308 NE2 GLN A 19 -3.648 6.133 -14.448 1.00 2.33 N ATOM 0 H GLN A 19 -1.183 3.265 -14.030 1.00 41.14 H new ATOM 0 HA GLN A 19 -3.881 3.248 -12.807 1.00 22.34 H new ATOM 0 HB2 GLN A 19 -2.958 3.045 -15.650 1.00 14.11 H new ATOM 0 HB3 GLN A 19 -4.273 1.992 -15.163 1.00 14.11 H new ATOM 0 HG2 GLN A 19 -4.665 4.478 -16.107 1.00 22.25 H new ATOM 0 HG3 GLN A 19 -5.766 3.701 -14.986 1.00 22.25 H new ATOM 0 HE21 GLN A 19 -3.177 6.079 -15.351 1.00 2.33 H new ATOM 0 HE22 GLN A 19 -3.451 6.908 -13.815 1.00 2.33 H new ATOM 317 N GLN A 20 -3.470 0.943 -12.034 1.00 24.35 N ATOM 318 CA GLN A 20 -3.302 -0.432 -11.577 1.00 45.03 C ATOM 319 C GLN A 20 -4.218 -1.377 -12.348 1.00 25.12 C ATOM 320 O GLN A 20 -4.785 -1.006 -13.375 1.00 1.24 O ATOM 321 CB GLN A 20 -3.589 -0.533 -10.078 1.00 54.04 C ATOM 322 CG GLN A 20 -2.871 0.519 -9.249 1.00 22.34 C ATOM 323 CD GLN A 20 -3.339 0.545 -7.807 1.00 71.10 C ATOM 324 OE1 GLN A 20 -3.711 1.595 -7.282 1.00 22.21 O ATOM 325 NE2 GLN A 20 -3.324 -0.614 -7.158 1.00 43.42 N ATOM 0 H GLN A 20 -4.038 1.526 -11.419 1.00 24.35 H new ATOM 0 HA GLN A 20 -2.269 -0.726 -11.761 1.00 45.03 H new ATOM 0 HB2 GLN A 20 -4.663 -0.441 -9.915 1.00 54.04 H new ATOM 0 HB3 GLN A 20 -3.297 -1.522 -9.726 1.00 54.04 H new ATOM 0 HG2 GLN A 20 -1.798 0.327 -9.275 1.00 22.34 H new ATOM 0 HG3 GLN A 20 -3.031 1.500 -9.697 1.00 22.34 H new ATOM 0 HE21 GLN A 20 -3.008 -1.460 -7.632 1.00 43.42 H new ATOM 0 HE22 GLN A 20 -3.629 -0.658 -6.186 1.00 43.42 H new ATOM 334 N GLU A 21 -4.356 -2.600 -11.845 1.00 12.10 N ATOM 335 CA GLU A 21 -5.203 -3.598 -12.488 1.00 23.01 C ATOM 336 C GLU A 21 -6.569 -3.012 -12.833 1.00 42.11 C ATOM 337 O GLU A 21 -7.176 -3.378 -13.839 1.00 3.20 O ATOM 338 CB GLU A 21 -5.373 -4.817 -11.578 1.00 54.53 C ATOM 339 CG GLU A 21 -6.137 -4.519 -10.299 1.00 3.33 C ATOM 340 CD GLU A 21 -5.820 -5.501 -9.188 1.00 62.52 C ATOM 341 OE1 GLU A 21 -4.909 -6.335 -9.375 1.00 73.30 O ATOM 342 OE2 GLU A 21 -6.483 -5.436 -8.132 1.00 2.02 O ATOM 0 H GLU A 21 -3.893 -2.923 -10.996 1.00 12.10 H new ATOM 0 HA GLU A 21 -4.717 -3.909 -13.413 1.00 23.01 H new ATOM 0 HB2 GLU A 21 -5.894 -5.601 -12.128 1.00 54.53 H new ATOM 0 HB3 GLU A 21 -4.389 -5.208 -11.321 1.00 54.53 H new ATOM 0 HG2 GLU A 21 -5.899 -3.509 -9.965 1.00 3.33 H new ATOM 0 HG3 GLU A 21 -7.207 -4.543 -10.505 1.00 3.33 H new ATOM 349 N GLU A 22 -7.045 -2.101 -11.990 1.00 54.14 N ATOM 350 CA GLU A 22 -8.340 -1.465 -12.206 1.00 31.53 C ATOM 351 C GLU A 22 -8.167 -0.025 -12.680 1.00 32.25 C ATOM 352 O GLU A 22 -9.064 0.549 -13.296 1.00 22.20 O ATOM 353 CB GLU A 22 -9.168 -1.495 -10.919 1.00 43.20 C ATOM 354 CG GLU A 22 -9.211 -2.860 -10.254 1.00 23.21 C ATOM 355 CD GLU A 22 -10.406 -3.024 -9.335 1.00 61.32 C ATOM 356 OE1 GLU A 22 -10.455 -2.331 -8.297 1.00 71.14 O ATOM 357 OE2 GLU A 22 -11.291 -3.845 -9.653 1.00 72.33 O ATOM 0 H GLU A 22 -6.555 -1.787 -11.153 1.00 54.14 H new ATOM 0 HA GLU A 22 -8.866 -2.023 -12.981 1.00 31.53 H new ATOM 0 HB2 GLU A 22 -8.757 -0.771 -10.216 1.00 43.20 H new ATOM 0 HB3 GLU A 22 -10.186 -1.178 -11.145 1.00 43.20 H new ATOM 0 HG2 GLU A 22 -9.239 -3.633 -11.022 1.00 23.21 H new ATOM 0 HG3 GLU A 22 -8.295 -3.011 -9.683 1.00 23.21 H new ATOM 364 N GLY A 23 -7.006 0.553 -12.386 1.00 15.13 N ATOM 365 CA GLY A 23 -6.736 1.921 -12.788 1.00 15.10 C ATOM 366 C GLY A 23 -7.620 2.922 -12.070 1.00 32.30 C ATOM 367 O GLY A 23 -8.505 3.538 -12.663 1.00 55.22 O ATOM 0 H GLY A 23 -6.248 0.098 -11.877 1.00 15.13 H new ATOM 0 HA2 GLY A 23 -5.690 2.155 -12.588 1.00 15.10 H new ATOM 0 HA3 GLY A 23 -6.884 2.016 -13.864 1.00 15.10 H new ATOM 371 N PRO A 24 -7.384 3.093 -10.761 1.00 0.22 N ATOM 372 CA PRO A 24 -8.156 4.024 -9.932 1.00 42.35 C ATOM 373 C PRO A 24 -7.867 5.482 -10.276 1.00 22.34 C ATOM 374 O PRO A 24 -8.531 6.072 -11.128 1.00 1.24 O ATOM 375 CB PRO A 24 -7.687 3.707 -8.510 1.00 63.45 C ATOM 376 CG PRO A 24 -6.322 3.134 -8.681 1.00 31.32 C ATOM 377 CD PRO A 24 -6.345 2.392 -9.989 1.00 22.35 C ATOM 0 HA PRO A 24 -9.230 3.905 -10.077 1.00 42.35 H new ATOM 0 HB2 PRO A 24 -7.665 4.604 -7.891 1.00 63.45 H new ATOM 0 HB3 PRO A 24 -8.356 2.998 -8.021 1.00 63.45 H new ATOM 0 HG2 PRO A 24 -5.567 3.920 -8.692 1.00 31.32 H new ATOM 0 HG3 PRO A 24 -6.074 2.465 -7.857 1.00 31.32 H new ATOM 0 HD2 PRO A 24 -5.378 2.431 -10.490 1.00 22.35 H new ATOM 0 HD3 PRO A 24 -6.590 1.339 -9.849 1.00 22.35 H new ATOM 385 N ASP A 25 -6.872 6.056 -9.608 1.00 33.24 N ATOM 386 CA ASP A 25 -6.494 7.444 -9.843 1.00 53.42 C ATOM 387 C ASP A 25 -5.496 7.922 -8.793 1.00 34.43 C ATOM 388 O ASP A 25 -5.881 8.335 -7.699 1.00 3.13 O ATOM 389 CB ASP A 25 -7.733 8.341 -9.832 1.00 52.44 C ATOM 390 CG ASP A 25 -8.749 7.913 -8.792 1.00 73.42 C ATOM 391 OD1 ASP A 25 -8.459 8.054 -7.586 1.00 61.11 O ATOM 392 OD2 ASP A 25 -9.835 7.435 -9.184 1.00 62.13 O ATOM 0 H ASP A 25 -6.313 5.581 -8.899 1.00 33.24 H new ATOM 0 HA ASP A 25 -6.019 7.504 -10.822 1.00 53.42 H new ATOM 0 HB2 ASP A 25 -7.431 9.370 -9.638 1.00 52.44 H new ATOM 0 HB3 ASP A 25 -8.198 8.325 -10.818 1.00 52.44 H new ATOM 397 N VAL A 26 -4.213 7.860 -9.132 1.00 43.54 N ATOM 398 CA VAL A 26 -3.159 8.286 -8.219 1.00 10.21 C ATOM 399 C VAL A 26 -2.386 9.472 -8.786 1.00 32.22 C ATOM 400 O VAL A 26 -2.194 9.579 -9.997 1.00 40.51 O ATOM 401 CB VAL A 26 -2.174 7.139 -7.924 1.00 53.23 C ATOM 402 CG1 VAL A 26 -1.004 7.177 -8.895 1.00 52.04 C ATOM 403 CG2 VAL A 26 -1.686 7.213 -6.485 1.00 72.04 C ATOM 0 H VAL A 26 -3.878 7.519 -10.033 1.00 43.54 H new ATOM 0 HA VAL A 26 -3.646 8.584 -7.291 1.00 10.21 H new ATOM 0 HB VAL A 26 -2.696 6.191 -8.058 1.00 53.23 H new ATOM 0 HG11 VAL A 26 -0.319 6.359 -8.671 1.00 52.04 H new ATOM 0 HG12 VAL A 26 -1.374 7.072 -9.915 1.00 52.04 H new ATOM 0 HG13 VAL A 26 -0.480 8.127 -8.796 1.00 52.04 H new ATOM 0 HG21 VAL A 26 -0.991 6.395 -6.294 1.00 72.04 H new ATOM 0 HG22 VAL A 26 -1.181 8.165 -6.321 1.00 72.04 H new ATOM 0 HG23 VAL A 26 -2.536 7.132 -5.808 1.00 72.04 H new ATOM 413 N PHE A 27 -1.944 10.360 -7.902 1.00 13.22 N ATOM 414 CA PHE A 27 -1.192 11.540 -8.314 1.00 30.42 C ATOM 415 C PHE A 27 0.303 11.339 -8.083 1.00 11.23 C ATOM 416 O PHE A 27 0.749 11.165 -6.949 1.00 24.32 O ATOM 417 CB PHE A 27 -1.677 12.773 -7.549 1.00 20.21 C ATOM 418 CG PHE A 27 -1.602 14.042 -8.349 1.00 10.04 C ATOM 419 CD1 PHE A 27 -0.447 14.375 -9.038 1.00 11.13 C ATOM 420 CD2 PHE A 27 -2.686 14.902 -8.411 1.00 14.32 C ATOM 421 CE1 PHE A 27 -0.375 15.542 -9.775 1.00 2.11 C ATOM 422 CE2 PHE A 27 -2.620 16.070 -9.147 1.00 12.33 C ATOM 423 CZ PHE A 27 -1.463 16.391 -9.829 1.00 3.25 C ATOM 0 H PHE A 27 -2.093 10.285 -6.896 1.00 13.22 H new ATOM 0 HA PHE A 27 -1.360 11.694 -9.380 1.00 30.42 H new ATOM 0 HB2 PHE A 27 -2.708 12.612 -7.233 1.00 20.21 H new ATOM 0 HB3 PHE A 27 -1.080 12.887 -6.644 1.00 20.21 H new ATOM 0 HD1 PHE A 27 0.407 13.715 -8.999 1.00 11.13 H new ATOM 0 HD2 PHE A 27 -3.593 14.657 -7.878 1.00 14.32 H new ATOM 0 HE1 PHE A 27 0.531 15.790 -10.308 1.00 2.11 H new ATOM 0 HE2 PHE A 27 -3.473 16.731 -9.189 1.00 12.33 H new ATOM 0 HZ PHE A 27 -1.409 17.304 -10.403 1.00 3.25 H new ATOM 433 N VAL A 28 1.072 11.365 -9.167 1.00 31.03 N ATOM 434 CA VAL A 28 2.517 11.187 -9.084 1.00 34.15 C ATOM 435 C VAL A 28 3.252 12.319 -9.792 1.00 54.02 C ATOM 436 O VAL A 28 2.812 12.801 -10.837 1.00 1.02 O ATOM 437 CB VAL A 28 2.953 9.843 -9.697 1.00 53.11 C ATOM 438 CG1 VAL A 28 1.899 8.775 -9.448 1.00 55.23 C ATOM 439 CG2 VAL A 28 3.223 10.000 -11.186 1.00 0.42 C ATOM 0 H VAL A 28 0.718 11.508 -10.113 1.00 31.03 H new ATOM 0 HA VAL A 28 2.777 11.196 -8.025 1.00 34.15 H new ATOM 0 HB VAL A 28 3.877 9.526 -9.214 1.00 53.11 H new ATOM 0 HG11 VAL A 28 2.225 7.833 -9.888 1.00 55.23 H new ATOM 0 HG12 VAL A 28 1.759 8.645 -8.375 1.00 55.23 H new ATOM 0 HG13 VAL A 28 0.957 9.081 -9.902 1.00 55.23 H new ATOM 0 HG21 VAL A 28 3.530 9.041 -11.603 1.00 0.42 H new ATOM 0 HG22 VAL A 28 2.316 10.340 -11.686 1.00 0.42 H new ATOM 0 HG23 VAL A 28 4.017 10.732 -11.337 1.00 0.42 H new ATOM 449 N HIS A 29 4.374 12.740 -9.218 1.00 21.43 N ATOM 450 CA HIS A 29 5.172 13.815 -9.795 1.00 50.42 C ATOM 451 C HIS A 29 6.555 13.311 -10.196 1.00 1.02 C ATOM 452 O HIS A 29 7.036 12.306 -9.673 1.00 30.42 O ATOM 453 CB HIS A 29 5.305 14.970 -8.802 1.00 23.24 C ATOM 454 CG HIS A 29 4.011 15.357 -8.156 1.00 55.22 C ATOM 455 ND1 HIS A 29 3.935 15.925 -6.902 1.00 20.53 N ATOM 456 CD2 HIS A 29 2.736 15.258 -8.600 1.00 34.53 C ATOM 457 CE1 HIS A 29 2.670 16.155 -6.601 1.00 14.43 C ATOM 458 NE2 HIS A 29 1.921 15.760 -7.615 1.00 3.12 N ATOM 0 H HIS A 29 4.751 12.353 -8.353 1.00 21.43 H new ATOM 0 HA HIS A 29 4.662 14.172 -10.690 1.00 50.42 H new ATOM 0 HB2 HIS A 29 6.019 14.692 -8.027 1.00 23.24 H new ATOM 0 HB3 HIS A 29 5.717 15.837 -9.319 1.00 23.24 H new ATOM 0 HD2 HIS A 29 2.419 14.859 -9.552 1.00 34.53 H new ATOM 0 HE1 HIS A 29 2.309 16.592 -5.682 1.00 14.43 H new ATOM 0 HE2 HIS A 29 0.904 15.818 -7.659 1.00 3.12 H new ATOM 466 N PHE A 30 7.189 14.015 -11.127 1.00 45.32 N ATOM 467 CA PHE A 30 8.517 13.638 -11.599 1.00 54.04 C ATOM 468 C PHE A 30 9.501 13.546 -10.437 1.00 63.35 C ATOM 469 O PHE A 30 10.508 12.840 -10.515 1.00 51.43 O ATOM 470 CB PHE A 30 9.021 14.649 -12.631 1.00 12.52 C ATOM 471 CG PHE A 30 9.592 15.896 -12.018 1.00 41.22 C ATOM 472 CD1 PHE A 30 8.758 16.884 -11.520 1.00 30.25 C ATOM 473 CD2 PHE A 30 10.963 16.080 -11.941 1.00 1.35 C ATOM 474 CE1 PHE A 30 9.281 18.032 -10.956 1.00 42.31 C ATOM 475 CE2 PHE A 30 11.492 17.227 -11.378 1.00 22.52 C ATOM 476 CZ PHE A 30 10.650 18.203 -10.884 1.00 10.30 C ATOM 0 H PHE A 30 6.805 14.850 -11.570 1.00 45.32 H new ATOM 0 HA PHE A 30 8.444 12.657 -12.068 1.00 54.04 H new ATOM 0 HB2 PHE A 30 9.783 14.176 -13.250 1.00 12.52 H new ATOM 0 HB3 PHE A 30 8.199 14.922 -13.292 1.00 12.52 H new ATOM 0 HD1 PHE A 30 7.687 16.755 -11.573 1.00 30.25 H new ATOM 0 HD2 PHE A 30 11.626 15.319 -12.325 1.00 1.35 H new ATOM 0 HE1 PHE A 30 8.620 18.795 -10.572 1.00 42.31 H new ATOM 0 HE2 PHE A 30 12.563 17.359 -11.325 1.00 22.52 H new ATOM 0 HZ PHE A 30 11.061 19.099 -10.442 1.00 10.30 H new ATOM 486 N THR A 31 9.204 14.264 -9.359 1.00 41.10 N ATOM 487 CA THR A 31 10.063 14.266 -8.181 1.00 74.33 C ATOM 488 C THR A 31 9.601 13.229 -7.163 1.00 41.12 C ATOM 489 O THR A 31 9.928 13.319 -5.980 1.00 64.43 O ATOM 490 CB THR A 31 10.092 15.651 -7.509 1.00 54.31 C ATOM 491 OG1 THR A 31 10.002 16.679 -8.502 1.00 4.42 O ATOM 492 CG2 THR A 31 11.365 15.832 -6.697 1.00 43.33 C ATOM 0 H THR A 31 8.375 14.852 -9.277 1.00 41.10 H new ATOM 0 HA THR A 31 11.068 14.015 -8.522 1.00 74.33 H new ATOM 0 HB THR A 31 9.238 15.722 -6.835 1.00 54.31 H new ATOM 0 HG1 THR A 31 10.679 16.526 -9.194 1.00 4.42 H new ATOM 0 HG21 THR A 31 11.363 16.818 -6.232 1.00 43.33 H new ATOM 0 HG22 THR A 31 11.415 15.066 -5.923 1.00 43.33 H new ATOM 0 HG23 THR A 31 12.231 15.742 -7.353 1.00 43.33 H new ATOM 500 N ALA A 32 8.840 12.245 -7.631 1.00 14.42 N ATOM 501 CA ALA A 32 8.336 11.190 -6.761 1.00 14.01 C ATOM 502 C ALA A 32 8.812 9.819 -7.228 1.00 61.04 C ATOM 503 O ALA A 32 8.517 8.802 -6.600 1.00 64.21 O ATOM 504 CB ALA A 32 6.816 11.232 -6.706 1.00 53.20 C ATOM 0 H ALA A 32 8.559 12.157 -8.608 1.00 14.42 H new ATOM 0 HA ALA A 32 8.730 11.361 -5.759 1.00 14.01 H new ATOM 0 HB1 ALA A 32 6.453 10.438 -6.053 1.00 53.20 H new ATOM 0 HB2 ALA A 32 6.493 12.198 -6.318 1.00 53.20 H new ATOM 0 HB3 ALA A 32 6.412 11.090 -7.708 1.00 53.20 H new ATOM 510 N ILE A 33 9.549 9.799 -8.334 1.00 54.11 N ATOM 511 CA ILE A 33 10.066 8.552 -8.885 1.00 13.43 C ATOM 512 C ILE A 33 11.443 8.229 -8.315 1.00 52.32 C ATOM 513 O ILE A 33 12.349 9.061 -8.347 1.00 13.53 O ATOM 514 CB ILE A 33 10.159 8.611 -10.421 1.00 13.21 C ATOM 515 CG1 ILE A 33 8.764 8.752 -11.033 1.00 54.41 C ATOM 516 CG2 ILE A 33 10.855 7.370 -10.957 1.00 63.52 C ATOM 517 CD1 ILE A 33 8.282 10.184 -11.115 1.00 35.24 C ATOM 0 H ILE A 33 9.801 10.632 -8.866 1.00 54.11 H new ATOM 0 HA ILE A 33 9.365 7.767 -8.602 1.00 13.43 H new ATOM 0 HB ILE A 33 10.748 9.484 -10.701 1.00 13.21 H new ATOM 0 HG12 ILE A 33 8.770 8.321 -12.034 1.00 54.41 H new ATOM 0 HG13 ILE A 33 8.056 8.172 -10.441 1.00 54.41 H new ATOM 0 HG21 ILE A 33 10.913 7.426 -12.044 1.00 63.52 H new ATOM 0 HG22 ILE A 33 11.861 7.310 -10.542 1.00 63.52 H new ATOM 0 HG23 ILE A 33 10.290 6.483 -10.669 1.00 63.52 H new ATOM 0 HD11 ILE A 33 7.287 10.208 -11.559 1.00 35.24 H new ATOM 0 HD12 ILE A 33 8.243 10.613 -10.114 1.00 35.24 H new ATOM 0 HD13 ILE A 33 8.968 10.764 -11.732 1.00 35.24 H new ATOM 529 N GLU A 34 11.593 7.014 -7.796 1.00 54.55 N ATOM 530 CA GLU A 34 12.860 6.581 -7.221 1.00 4.42 C ATOM 531 C GLU A 34 13.632 5.704 -8.202 1.00 61.13 C ATOM 532 O GLU A 34 13.536 4.478 -8.163 1.00 22.33 O ATOM 533 CB GLU A 34 12.620 5.817 -5.917 1.00 55.42 C ATOM 534 CG GLU A 34 11.869 6.622 -4.870 1.00 14.32 C ATOM 535 CD GLU A 34 12.789 7.220 -3.823 1.00 74.10 C ATOM 536 OE1 GLU A 34 13.738 6.526 -3.403 1.00 20.32 O ATOM 537 OE2 GLU A 34 12.560 8.381 -3.424 1.00 75.31 O ATOM 0 H GLU A 34 10.853 6.313 -7.762 1.00 54.55 H new ATOM 0 HA GLU A 34 13.455 7.469 -7.009 1.00 4.42 H new ATOM 0 HB2 GLU A 34 12.059 4.908 -6.136 1.00 55.42 H new ATOM 0 HB3 GLU A 34 13.580 5.507 -5.505 1.00 55.42 H new ATOM 0 HG2 GLU A 34 11.315 7.422 -5.361 1.00 14.32 H new ATOM 0 HG3 GLU A 34 11.136 5.980 -4.381 1.00 14.32 H new ATOM 544 N ALA A 35 14.397 6.342 -9.082 1.00 75.15 N ATOM 545 CA ALA A 35 15.186 5.621 -10.073 1.00 73.32 C ATOM 546 C ALA A 35 16.672 5.924 -9.917 1.00 61.44 C ATOM 547 O ALA A 35 17.054 6.864 -9.221 1.00 10.04 O ATOM 548 CB ALA A 35 14.718 5.972 -11.478 1.00 20.32 C ATOM 0 H ALA A 35 14.487 7.357 -9.129 1.00 75.15 H new ATOM 0 HA ALA A 35 15.041 4.553 -9.910 1.00 73.32 H new ATOM 0 HB1 ALA A 35 15.316 5.426 -12.208 1.00 20.32 H new ATOM 0 HB2 ALA A 35 13.669 5.698 -11.591 1.00 20.32 H new ATOM 0 HB3 ALA A 35 14.833 7.043 -11.643 1.00 20.32 H new ATOM 554 N ASP A 36 17.506 5.121 -10.569 1.00 41.04 N ATOM 555 CA ASP A 36 18.951 5.304 -10.503 1.00 64.34 C ATOM 556 C ASP A 36 19.420 6.313 -11.547 1.00 12.11 C ATOM 557 O ASP A 36 19.998 5.943 -12.568 1.00 23.15 O ATOM 558 CB ASP A 36 19.666 3.967 -10.712 1.00 12.55 C ATOM 559 CG ASP A 36 19.867 3.210 -9.414 1.00 11.13 C ATOM 560 OD1 ASP A 36 19.193 3.549 -8.418 1.00 74.52 O ATOM 561 OD2 ASP A 36 20.698 2.278 -9.394 1.00 12.44 O ATOM 0 H ASP A 36 17.206 4.337 -11.149 1.00 41.04 H new ATOM 0 HA ASP A 36 19.198 5.690 -9.514 1.00 64.34 H new ATOM 0 HB2 ASP A 36 19.087 3.353 -11.402 1.00 12.55 H new ATOM 0 HB3 ASP A 36 20.635 4.145 -11.179 1.00 12.55 H new ATOM 566 N GLY A 37 19.164 7.591 -11.283 1.00 43.14 N ATOM 567 CA GLY A 37 19.565 8.634 -12.210 1.00 23.05 C ATOM 568 C GLY A 37 18.395 9.476 -12.677 1.00 74.21 C ATOM 569 O GLY A 37 17.741 10.143 -11.875 1.00 42.52 O ATOM 0 H GLY A 37 18.687 7.923 -10.445 1.00 43.14 H new ATOM 0 HA2 GLY A 37 20.303 9.277 -11.731 1.00 23.05 H new ATOM 0 HA3 GLY A 37 20.050 8.181 -13.074 1.00 23.05 H new ATOM 573 N PHE A 38 18.129 9.446 -13.979 1.00 1.22 N ATOM 574 CA PHE A 38 17.031 10.215 -14.553 1.00 34.43 C ATOM 575 C PHE A 38 15.684 9.667 -14.090 1.00 73.33 C ATOM 576 O PHE A 38 15.276 8.575 -14.488 1.00 2.04 O ATOM 577 CB PHE A 38 17.107 10.190 -16.081 1.00 34.13 C ATOM 578 CG PHE A 38 18.042 11.217 -16.651 1.00 50.32 C ATOM 579 CD1 PHE A 38 17.613 12.516 -16.875 1.00 21.41 C ATOM 580 CD2 PHE A 38 19.350 10.884 -16.964 1.00 41.52 C ATOM 581 CE1 PHE A 38 18.471 13.464 -17.399 1.00 65.34 C ATOM 582 CE2 PHE A 38 20.213 11.828 -17.488 1.00 40.34 C ATOM 583 CZ PHE A 38 19.773 13.119 -17.707 1.00 51.14 C ATOM 0 H PHE A 38 18.659 8.897 -14.656 1.00 1.22 H new ATOM 0 HA PHE A 38 17.122 11.245 -14.209 1.00 34.43 H new ATOM 0 HB2 PHE A 38 17.427 9.200 -16.405 1.00 34.13 H new ATOM 0 HB3 PHE A 38 16.109 10.352 -16.489 1.00 34.13 H new ATOM 0 HD1 PHE A 38 16.596 12.790 -16.637 1.00 21.41 H new ATOM 0 HD2 PHE A 38 19.699 9.876 -16.797 1.00 41.52 H new ATOM 0 HE1 PHE A 38 18.124 14.473 -17.568 1.00 65.34 H new ATOM 0 HE2 PHE A 38 21.231 11.556 -17.726 1.00 40.34 H new ATOM 0 HZ PHE A 38 20.445 13.857 -18.118 1.00 51.14 H new ATOM 593 N ARG A 39 14.998 10.432 -13.248 1.00 11.41 N ATOM 594 CA ARG A 39 13.698 10.024 -12.729 1.00 61.23 C ATOM 595 C ARG A 39 12.610 10.208 -13.783 1.00 61.33 C ATOM 596 O ARG A 39 12.346 11.324 -14.231 1.00 40.03 O ATOM 597 CB ARG A 39 13.350 10.828 -11.475 1.00 74.05 C ATOM 598 CG ARG A 39 14.499 10.945 -10.488 1.00 43.42 C ATOM 599 CD ARG A 39 14.094 11.734 -9.253 1.00 3.22 C ATOM 600 NE ARG A 39 13.966 13.162 -9.533 1.00 34.33 N ATOM 601 CZ ARG A 39 14.997 13.997 -9.582 1.00 23.02 C ATOM 602 NH1 ARG A 39 16.227 13.549 -9.371 1.00 45.43 N ATOM 603 NH2 ARG A 39 14.800 15.283 -9.842 1.00 73.14 N ATOM 0 H ARG A 39 15.321 11.339 -12.910 1.00 11.41 H new ATOM 0 HA ARG A 39 13.754 8.967 -12.470 1.00 61.23 H new ATOM 0 HB2 ARG A 39 13.034 11.828 -11.771 1.00 74.05 H new ATOM 0 HB3 ARG A 39 12.501 10.359 -10.977 1.00 74.05 H new ATOM 0 HG2 ARG A 39 14.829 9.949 -10.193 1.00 43.42 H new ATOM 0 HG3 ARG A 39 15.346 11.432 -10.970 1.00 43.42 H new ATOM 0 HD2 ARG A 39 13.146 11.353 -8.874 1.00 3.22 H new ATOM 0 HD3 ARG A 39 14.835 11.584 -8.468 1.00 3.22 H new ATOM 0 HE ARG A 39 13.033 13.538 -9.700 1.00 34.33 H new ATOM 0 HH11 ARG A 39 16.383 12.561 -9.171 1.00 45.43 H new ATOM 0 HH12 ARG A 39 17.018 14.192 -9.409 1.00 45.43 H new ATOM 0 HH21 ARG A 39 13.855 15.632 -10.005 1.00 73.14 H new ATOM 0 HH22 ARG A 39 15.593 15.923 -9.879 1.00 73.14 H new ATOM 617 N THR A 40 11.981 9.104 -14.176 1.00 42.22 N ATOM 618 CA THR A 40 10.924 9.143 -15.178 1.00 75.21 C ATOM 619 C THR A 40 10.334 7.756 -15.409 1.00 14.34 C ATOM 620 O THR A 40 11.000 6.743 -15.192 1.00 33.00 O ATOM 621 CB THR A 40 11.440 9.698 -16.519 1.00 31.10 C ATOM 622 OG1 THR A 40 10.452 9.513 -17.539 1.00 21.51 O ATOM 623 CG2 THR A 40 12.733 9.009 -16.928 1.00 5.45 C ATOM 0 H THR A 40 12.186 8.172 -13.815 1.00 42.22 H new ATOM 0 HA THR A 40 10.149 9.806 -14.793 1.00 75.21 H new ATOM 0 HB THR A 40 11.638 10.763 -16.394 1.00 31.10 H new ATOM 0 HG1 THR A 40 9.629 9.980 -17.286 1.00 21.51 H new ATOM 0 HG21 THR A 40 13.078 9.417 -17.878 1.00 5.45 H new ATOM 0 HG22 THR A 40 13.492 9.176 -16.164 1.00 5.45 H new ATOM 0 HG23 THR A 40 12.557 7.939 -17.036 1.00 5.45 H new ATOM 631 N LEU A 41 9.081 7.717 -15.850 1.00 1.35 N ATOM 632 CA LEU A 41 8.401 6.453 -16.111 1.00 12.54 C ATOM 633 C LEU A 41 8.187 6.249 -17.607 1.00 10.20 C ATOM 634 O LEU A 41 8.398 7.162 -18.404 1.00 62.23 O ATOM 635 CB LEU A 41 7.056 6.415 -15.382 1.00 5.22 C ATOM 636 CG LEU A 41 7.022 5.617 -14.078 1.00 62.43 C ATOM 637 CD1 LEU A 41 8.208 5.980 -13.198 1.00 51.31 C ATOM 638 CD2 LEU A 41 5.714 5.857 -13.340 1.00 13.24 C ATOM 0 H LEU A 41 8.516 8.546 -16.034 1.00 1.35 H new ATOM 0 HA LEU A 41 9.032 5.646 -15.739 1.00 12.54 H new ATOM 0 HB2 LEU A 41 6.754 7.440 -15.166 1.00 5.22 H new ATOM 0 HB3 LEU A 41 6.310 5.999 -16.059 1.00 5.22 H new ATOM 0 HG LEU A 41 7.089 4.557 -14.322 1.00 62.43 H new ATOM 0 HD11 LEU A 41 8.166 5.402 -12.275 1.00 51.31 H new ATOM 0 HD12 LEU A 41 9.135 5.755 -13.726 1.00 51.31 H new ATOM 0 HD13 LEU A 41 8.174 7.044 -12.962 1.00 51.31 H new ATOM 0 HD21 LEU A 41 5.707 5.281 -12.415 1.00 13.24 H new ATOM 0 HD22 LEU A 41 5.616 6.918 -13.108 1.00 13.24 H new ATOM 0 HD23 LEU A 41 4.879 5.544 -13.968 1.00 13.24 H new ATOM 650 N ASN A 42 7.764 5.046 -17.980 1.00 64.42 N ATOM 651 CA ASN A 42 7.520 4.722 -19.381 1.00 60.21 C ATOM 652 C ASN A 42 6.072 4.291 -19.595 1.00 63.41 C ATOM 653 O ASN A 42 5.579 3.385 -18.924 1.00 30.10 O ATOM 654 CB ASN A 42 8.468 3.613 -19.843 1.00 32.02 C ATOM 655 CG ASN A 42 9.882 4.115 -20.063 1.00 14.31 C ATOM 656 OD1 ASN A 42 10.190 4.699 -21.102 1.00 1.10 O ATOM 657 ND2 ASN A 42 10.749 3.890 -19.083 1.00 32.32 N ATOM 0 H ASN A 42 7.583 4.279 -17.332 1.00 64.42 H new ATOM 0 HA ASN A 42 7.705 5.618 -19.973 1.00 60.21 H new ATOM 0 HB2 ASN A 42 8.480 2.816 -19.100 1.00 32.02 H new ATOM 0 HB3 ASN A 42 8.091 3.179 -20.769 1.00 32.02 H new ATOM 0 HD21 ASN A 42 11.715 4.205 -19.174 1.00 32.32 H new ATOM 0 HD22 ASN A 42 10.449 3.402 -18.239 1.00 32.32 H new ATOM 664 N GLU A 43 5.398 4.946 -20.535 1.00 61.32 N ATOM 665 CA GLU A 43 4.007 4.630 -20.837 1.00 70.41 C ATOM 666 C GLU A 43 3.860 3.170 -21.258 1.00 14.21 C ATOM 667 O GLU A 43 4.395 2.752 -22.284 1.00 34.55 O ATOM 668 CB GLU A 43 3.481 5.546 -21.943 1.00 40.54 C ATOM 669 CG GLU A 43 2.066 5.215 -22.388 1.00 24.43 C ATOM 670 CD GLU A 43 1.654 5.972 -23.635 1.00 12.12 C ATOM 671 OE1 GLU A 43 2.497 6.707 -24.189 1.00 51.43 O ATOM 672 OE2 GLU A 43 0.487 5.829 -24.056 1.00 72.23 O ATOM 0 H GLU A 43 5.792 5.698 -21.100 1.00 61.32 H new ATOM 0 HA GLU A 43 3.420 4.791 -19.933 1.00 70.41 H new ATOM 0 HB2 GLU A 43 3.510 6.578 -21.593 1.00 40.54 H new ATOM 0 HB3 GLU A 43 4.147 5.482 -22.803 1.00 40.54 H new ATOM 0 HG2 GLU A 43 1.990 4.144 -22.576 1.00 24.43 H new ATOM 0 HG3 GLU A 43 1.372 5.447 -21.581 1.00 24.43 H new ATOM 679 N GLY A 44 3.130 2.400 -20.457 1.00 13.04 N ATOM 680 CA GLY A 44 2.925 0.996 -20.761 1.00 41.04 C ATOM 681 C GLY A 44 3.853 0.091 -19.975 1.00 71.15 C ATOM 682 O GLY A 44 3.904 -1.115 -20.216 1.00 14.24 O ATOM 0 H GLY A 44 2.677 2.724 -19.603 1.00 13.04 H new ATOM 0 HA2 GLY A 44 1.891 0.728 -20.544 1.00 41.04 H new ATOM 0 HA3 GLY A 44 3.080 0.832 -21.827 1.00 41.04 H new ATOM 686 N GLU A 45 4.590 0.674 -19.035 1.00 53.11 N ATOM 687 CA GLU A 45 5.522 -0.089 -18.214 1.00 1.24 C ATOM 688 C GLU A 45 4.978 -0.271 -16.799 1.00 43.54 C ATOM 689 O GLU A 45 4.114 0.484 -16.353 1.00 14.20 O ATOM 690 CB GLU A 45 6.882 0.611 -18.163 1.00 20.31 C ATOM 691 CG GLU A 45 7.939 -0.168 -17.397 1.00 53.23 C ATOM 692 CD GLU A 45 9.345 0.321 -17.684 1.00 63.54 C ATOM 693 OE1 GLU A 45 9.698 1.423 -17.217 1.00 40.41 O ATOM 694 OE2 GLU A 45 10.093 -0.401 -18.377 1.00 25.34 O ATOM 0 H GLU A 45 4.560 1.671 -18.823 1.00 53.11 H new ATOM 0 HA GLU A 45 5.644 -1.073 -18.667 1.00 1.24 H new ATOM 0 HB2 GLU A 45 7.233 0.779 -19.181 1.00 20.31 H new ATOM 0 HB3 GLU A 45 6.760 1.591 -17.702 1.00 20.31 H new ATOM 0 HG2 GLU A 45 7.741 -0.087 -16.328 1.00 53.23 H new ATOM 0 HG3 GLU A 45 7.866 -1.224 -17.656 1.00 53.23 H new ATOM 701 N HIS A 46 5.491 -1.278 -16.099 1.00 51.44 N ATOM 702 CA HIS A 46 5.057 -1.559 -14.736 1.00 23.45 C ATOM 703 C HIS A 46 5.886 -0.769 -13.728 1.00 12.53 C ATOM 704 O HIS A 46 7.094 -0.602 -13.896 1.00 52.34 O ATOM 705 CB HIS A 46 5.168 -3.056 -14.442 1.00 13.23 C ATOM 706 CG HIS A 46 4.728 -3.924 -15.580 1.00 42.24 C ATOM 707 ND1 HIS A 46 3.486 -4.520 -15.636 1.00 63.32 N ATOM 708 CD2 HIS A 46 5.373 -4.293 -16.712 1.00 33.42 C ATOM 709 CE1 HIS A 46 3.386 -5.221 -16.752 1.00 4.32 C ATOM 710 NE2 HIS A 46 4.518 -5.099 -17.423 1.00 33.22 N ATOM 0 H HIS A 46 6.207 -1.912 -16.453 1.00 51.44 H new ATOM 0 HA HIS A 46 4.015 -1.253 -14.642 1.00 23.45 H new ATOM 0 HB2 HIS A 46 6.202 -3.293 -14.194 1.00 13.23 H new ATOM 0 HB3 HIS A 46 4.567 -3.291 -13.563 1.00 13.23 H new ATOM 0 HD2 HIS A 46 6.373 -4.007 -17.002 1.00 33.42 H new ATOM 0 HE1 HIS A 46 2.526 -5.796 -17.063 1.00 4.32 H new ATOM 0 HE2 HIS A 46 4.723 -5.533 -18.323 1.00 33.22 H new ATOM 718 N VAL A 47 5.228 -0.283 -12.680 1.00 2.34 N ATOM 719 CA VAL A 47 5.904 0.490 -11.644 1.00 52.44 C ATOM 720 C VAL A 47 5.105 0.486 -10.346 1.00 23.43 C ATOM 721 O VAL A 47 3.879 0.584 -10.360 1.00 31.12 O ATOM 722 CB VAL A 47 6.130 1.947 -12.090 1.00 0.53 C ATOM 723 CG1 VAL A 47 7.313 2.037 -13.042 1.00 55.42 C ATOM 724 CG2 VAL A 47 4.872 2.509 -12.734 1.00 73.44 C ATOM 0 H VAL A 47 4.228 -0.411 -12.526 1.00 2.34 H new ATOM 0 HA VAL A 47 6.870 0.015 -11.474 1.00 52.44 H new ATOM 0 HB VAL A 47 6.358 2.547 -11.209 1.00 0.53 H new ATOM 0 HG11 VAL A 47 7.457 3.074 -13.346 1.00 55.42 H new ATOM 0 HG12 VAL A 47 8.212 1.678 -12.541 1.00 55.42 H new ATOM 0 HG13 VAL A 47 7.119 1.424 -13.922 1.00 55.42 H new ATOM 0 HG21 VAL A 47 5.050 3.539 -13.043 1.00 73.44 H new ATOM 0 HG22 VAL A 47 4.610 1.909 -13.606 1.00 73.44 H new ATOM 0 HG23 VAL A 47 4.053 2.482 -12.016 1.00 73.44 H new ATOM 734 N GLU A 48 5.810 0.371 -9.224 1.00 62.04 N ATOM 735 CA GLU A 48 5.166 0.353 -7.916 1.00 50.14 C ATOM 736 C GLU A 48 5.202 1.737 -7.273 1.00 75.44 C ATOM 737 O GLU A 48 6.264 2.345 -7.141 1.00 72.12 O ATOM 738 CB GLU A 48 5.849 -0.665 -7.001 1.00 1.45 C ATOM 739 CG GLU A 48 5.479 -0.509 -5.535 1.00 61.30 C ATOM 740 CD GLU A 48 6.029 -1.629 -4.673 1.00 33.12 C ATOM 741 OE1 GLU A 48 7.031 -2.254 -5.078 1.00 51.32 O ATOM 742 OE2 GLU A 48 5.456 -1.880 -3.592 1.00 33.32 O ATOM 0 H GLU A 48 6.826 0.289 -9.195 1.00 62.04 H new ATOM 0 HA GLU A 48 4.124 0.063 -8.056 1.00 50.14 H new ATOM 0 HB2 GLU A 48 5.585 -1.670 -7.329 1.00 1.45 H new ATOM 0 HB3 GLU A 48 6.930 -0.569 -7.107 1.00 1.45 H new ATOM 0 HG2 GLU A 48 5.856 0.446 -5.168 1.00 61.30 H new ATOM 0 HG3 GLU A 48 4.394 -0.481 -5.439 1.00 61.30 H new ATOM 749 N PHE A 49 4.033 2.228 -6.876 1.00 14.01 N ATOM 750 CA PHE A 49 3.929 3.540 -6.248 1.00 55.22 C ATOM 751 C PHE A 49 3.318 3.429 -4.854 1.00 42.31 C ATOM 752 O PHE A 49 2.474 2.570 -4.602 1.00 1.31 O ATOM 753 CB PHE A 49 3.084 4.478 -7.114 1.00 21.41 C ATOM 754 CG PHE A 49 1.707 3.950 -7.401 1.00 43.42 C ATOM 755 CD1 PHE A 49 1.508 2.993 -8.383 1.00 45.41 C ATOM 756 CD2 PHE A 49 0.612 4.413 -6.690 1.00 32.53 C ATOM 757 CE1 PHE A 49 0.243 2.506 -8.650 1.00 31.22 C ATOM 758 CE2 PHE A 49 -0.656 3.928 -6.952 1.00 0.53 C ATOM 759 CZ PHE A 49 -0.841 2.975 -7.934 1.00 21.13 C ATOM 0 H PHE A 49 3.145 1.737 -6.978 1.00 14.01 H new ATOM 0 HA PHE A 49 4.934 3.951 -6.153 1.00 55.22 H new ATOM 0 HB2 PHE A 49 2.998 5.443 -6.614 1.00 21.41 H new ATOM 0 HB3 PHE A 49 3.601 4.653 -8.057 1.00 21.41 H new ATOM 0 HD1 PHE A 49 2.352 2.623 -8.946 1.00 45.41 H new ATOM 0 HD2 PHE A 49 0.750 5.161 -5.923 1.00 32.53 H new ATOM 0 HE1 PHE A 49 0.102 1.760 -9.418 1.00 31.22 H new ATOM 0 HE2 PHE A 49 -1.502 4.294 -6.389 1.00 0.53 H new ATOM 0 HZ PHE A 49 -1.831 2.597 -8.142 1.00 21.13 H new ATOM 769 N GLU A 50 3.753 4.305 -3.953 1.00 32.30 N ATOM 770 CA GLU A 50 3.250 4.304 -2.584 1.00 43.11 C ATOM 771 C GLU A 50 2.331 5.498 -2.341 1.00 70.34 C ATOM 772 O GLU A 50 2.793 6.612 -2.097 1.00 3.14 O ATOM 773 CB GLU A 50 4.413 4.332 -1.590 1.00 64.13 C ATOM 774 CG GLU A 50 5.061 2.975 -1.374 1.00 24.33 C ATOM 775 CD GLU A 50 5.658 2.828 0.012 1.00 23.25 C ATOM 776 OE1 GLU A 50 4.904 2.959 0.999 1.00 2.04 O ATOM 777 OE2 GLU A 50 6.879 2.582 0.111 1.00 54.23 O ATOM 0 H GLU A 50 4.451 5.023 -4.146 1.00 32.30 H new ATOM 0 HA GLU A 50 2.676 3.389 -2.436 1.00 43.11 H new ATOM 0 HB2 GLU A 50 5.168 5.033 -1.946 1.00 64.13 H new ATOM 0 HB3 GLU A 50 4.053 4.710 -0.633 1.00 64.13 H new ATOM 0 HG2 GLU A 50 4.318 2.193 -1.530 1.00 24.33 H new ATOM 0 HG3 GLU A 50 5.842 2.827 -2.120 1.00 24.33 H new ATOM 784 N VAL A 51 1.026 5.256 -2.412 1.00 32.22 N ATOM 785 CA VAL A 51 0.040 6.309 -2.200 1.00 5.44 C ATOM 786 C VAL A 51 0.099 6.837 -0.770 1.00 62.14 C ATOM 787 O VAL A 51 -0.003 6.072 0.188 1.00 1.11 O ATOM 788 CB VAL A 51 -1.387 5.810 -2.493 1.00 1.33 C ATOM 789 CG1 VAL A 51 -1.498 5.324 -3.930 1.00 31.35 C ATOM 790 CG2 VAL A 51 -1.777 4.710 -1.517 1.00 11.41 C ATOM 0 H VAL A 51 0.627 4.339 -2.615 1.00 32.22 H new ATOM 0 HA VAL A 51 0.284 7.115 -2.892 1.00 5.44 H new ATOM 0 HB VAL A 51 -2.079 6.642 -2.362 1.00 1.33 H new ATOM 0 HG11 VAL A 51 -2.513 4.975 -4.119 1.00 31.35 H new ATOM 0 HG12 VAL A 51 -1.263 6.143 -4.610 1.00 31.35 H new ATOM 0 HG13 VAL A 51 -0.797 4.505 -4.092 1.00 31.35 H new ATOM 0 HG21 VAL A 51 -2.788 4.369 -1.738 1.00 11.41 H new ATOM 0 HG22 VAL A 51 -1.083 3.875 -1.614 1.00 11.41 H new ATOM 0 HG23 VAL A 51 -1.739 5.097 -0.499 1.00 11.41 H new ATOM 800 N GLU A 52 0.264 8.149 -0.636 1.00 11.20 N ATOM 801 CA GLU A 52 0.336 8.779 0.677 1.00 24.33 C ATOM 802 C GLU A 52 -0.858 9.701 0.905 1.00 21.23 C ATOM 803 O GLU A 52 -1.515 10.151 -0.034 1.00 30.14 O ATOM 804 CB GLU A 52 1.639 9.569 0.817 1.00 10.23 C ATOM 805 CG GLU A 52 2.788 8.753 1.385 1.00 10.35 C ATOM 806 CD GLU A 52 2.445 8.109 2.715 1.00 52.42 C ATOM 807 OE1 GLU A 52 1.922 6.976 2.708 1.00 71.40 O ATOM 808 OE2 GLU A 52 2.700 8.740 3.762 1.00 11.12 O ATOM 0 H GLU A 52 0.350 8.796 -1.420 1.00 11.20 H new ATOM 0 HA GLU A 52 0.314 7.992 1.431 1.00 24.33 H new ATOM 0 HB2 GLU A 52 1.927 9.955 -0.161 1.00 10.23 H new ATOM 0 HB3 GLU A 52 1.464 10.431 1.461 1.00 10.23 H new ATOM 0 HG2 GLU A 52 3.066 7.978 0.671 1.00 10.35 H new ATOM 0 HG3 GLU A 52 3.658 9.397 1.511 1.00 10.35 H new ATOM 815 N PRO A 53 -1.147 9.989 2.183 1.00 20.10 N ATOM 816 CA PRO A 53 -2.263 10.859 2.565 1.00 2.33 C ATOM 817 C PRO A 53 -2.016 12.317 2.190 1.00 32.41 C ATOM 818 O PRO A 53 -2.374 12.756 1.098 1.00 70.40 O ATOM 819 CB PRO A 53 -2.330 10.703 4.087 1.00 63.24 C ATOM 820 CG PRO A 53 -0.950 10.311 4.488 1.00 23.40 C ATOM 821 CD PRO A 53 -0.406 9.488 3.353 1.00 74.41 C ATOM 0 HA PRO A 53 -3.186 10.586 2.054 1.00 2.33 H new ATOM 0 HB2 PRO A 53 -2.633 11.633 4.567 1.00 63.24 H new ATOM 0 HB3 PRO A 53 -3.057 9.944 4.376 1.00 63.24 H new ATOM 0 HG2 PRO A 53 -0.330 11.190 4.664 1.00 23.40 H new ATOM 0 HG3 PRO A 53 -0.961 9.738 5.415 1.00 23.40 H new ATOM 0 HD2 PRO A 53 0.669 9.625 3.237 1.00 74.41 H new ATOM 0 HD3 PRO A 53 -0.577 8.423 3.511 1.00 74.41 H new ATOM 829 N GLY A 54 -1.402 13.062 3.103 1.00 3.54 N ATOM 830 CA GLY A 54 -1.118 14.463 2.849 1.00 64.43 C ATOM 831 C GLY A 54 0.080 14.655 1.940 1.00 4.23 C ATOM 832 O GLY A 54 1.047 15.323 2.309 1.00 14.03 O ATOM 0 H GLY A 54 -1.096 12.721 4.014 1.00 3.54 H new ATOM 0 HA2 GLY A 54 -1.992 14.932 2.397 1.00 64.43 H new ATOM 0 HA3 GLY A 54 -0.937 14.972 3.796 1.00 64.43 H new ATOM 836 N ARG A 55 0.019 14.068 0.750 1.00 71.32 N ATOM 837 CA ARG A 55 1.109 14.176 -0.213 1.00 34.43 C ATOM 838 C ARG A 55 0.578 14.536 -1.597 1.00 75.31 C ATOM 839 O ARG A 55 1.161 15.357 -2.303 1.00 24.10 O ATOM 840 CB ARG A 55 1.890 12.862 -0.280 1.00 52.12 C ATOM 841 CG ARG A 55 3.398 13.048 -0.241 1.00 31.34 C ATOM 842 CD ARG A 55 3.878 13.410 1.156 1.00 41.30 C ATOM 843 NE ARG A 55 3.577 12.363 2.128 1.00 72.53 N ATOM 844 CZ ARG A 55 3.597 12.552 3.442 1.00 32.43 C ATOM 845 NH1 ARG A 55 3.902 13.742 3.940 1.00 53.34 N ATOM 846 NH2 ARG A 55 3.311 11.549 4.263 1.00 72.44 N ATOM 0 H ARG A 55 -0.774 13.512 0.429 1.00 71.32 H new ATOM 0 HA ARG A 55 1.777 14.971 0.119 1.00 34.43 H new ATOM 0 HB2 ARG A 55 1.589 12.227 0.553 1.00 52.12 H new ATOM 0 HB3 ARG A 55 1.621 12.335 -1.196 1.00 52.12 H new ATOM 0 HG2 ARG A 55 3.888 12.131 -0.569 1.00 31.34 H new ATOM 0 HG3 ARG A 55 3.687 13.832 -0.941 1.00 31.34 H new ATOM 0 HD2 ARG A 55 4.953 13.586 1.135 1.00 41.30 H new ATOM 0 HD3 ARG A 55 3.408 14.342 1.470 1.00 41.30 H new ATOM 0 HE ARG A 55 3.338 11.435 1.778 1.00 72.53 H new ATOM 0 HH11 ARG A 55 4.122 14.516 3.313 1.00 53.34 H new ATOM 0 HH12 ARG A 55 3.916 13.884 4.950 1.00 53.34 H new ATOM 0 HH21 ARG A 55 3.075 10.632 3.885 1.00 72.44 H new ATOM 0 HH22 ARG A 55 3.327 11.696 5.272 1.00 72.44 H new ATOM 860 N GLY A 56 -0.534 13.914 -1.979 1.00 51.22 N ATOM 861 CA GLY A 56 -1.125 14.182 -3.277 1.00 62.45 C ATOM 862 C GLY A 56 -2.202 15.246 -3.216 1.00 53.01 C ATOM 863 O GLY A 56 -3.008 15.271 -2.287 1.00 31.32 O ATOM 0 H GLY A 56 -1.036 13.230 -1.413 1.00 51.22 H new ATOM 0 HA2 GLY A 56 -0.345 14.499 -3.969 1.00 62.45 H new ATOM 0 HA3 GLY A 56 -1.551 13.261 -3.676 1.00 62.45 H new ATOM 867 N GLY A 57 -2.216 16.130 -4.209 1.00 51.21 N ATOM 868 CA GLY A 57 -3.206 17.191 -4.244 1.00 42.10 C ATOM 869 C GLY A 57 -4.614 16.678 -4.017 1.00 60.02 C ATOM 870 O GLY A 57 -5.419 17.325 -3.347 1.00 3.40 O ATOM 0 H GLY A 57 -1.560 16.130 -4.990 1.00 51.21 H new ATOM 0 HA2 GLY A 57 -2.966 17.933 -3.483 1.00 42.10 H new ATOM 0 HA3 GLY A 57 -3.158 17.697 -5.208 1.00 42.10 H new ATOM 874 N LYS A 58 -4.914 15.512 -4.578 1.00 75.41 N ATOM 875 CA LYS A 58 -6.235 14.911 -4.435 1.00 33.22 C ATOM 876 C LYS A 58 -6.273 13.958 -3.244 1.00 54.21 C ATOM 877 O LYS A 58 -7.340 13.667 -2.704 1.00 25.31 O ATOM 878 CB LYS A 58 -6.619 14.162 -5.713 1.00 51.01 C ATOM 879 CG LYS A 58 -7.376 15.017 -6.715 1.00 24.11 C ATOM 880 CD LYS A 58 -6.454 15.556 -7.796 1.00 11.51 C ATOM 881 CE LYS A 58 -6.352 14.596 -8.971 1.00 43.52 C ATOM 882 NZ LYS A 58 -6.309 15.317 -10.274 1.00 23.03 N ATOM 0 H LYS A 58 -4.260 14.964 -5.136 1.00 75.41 H new ATOM 0 HA LYS A 58 -6.954 15.712 -4.261 1.00 33.22 H new ATOM 0 HB2 LYS A 58 -5.714 13.779 -6.185 1.00 51.01 H new ATOM 0 HB3 LYS A 58 -7.231 13.299 -5.449 1.00 51.01 H new ATOM 0 HG2 LYS A 58 -8.169 14.426 -7.173 1.00 24.11 H new ATOM 0 HG3 LYS A 58 -7.856 15.848 -6.197 1.00 24.11 H new ATOM 0 HD2 LYS A 58 -6.824 16.520 -8.144 1.00 11.51 H new ATOM 0 HD3 LYS A 58 -5.462 15.727 -7.378 1.00 11.51 H new ATOM 0 HE2 LYS A 58 -5.456 13.985 -8.864 1.00 43.52 H new ATOM 0 HE3 LYS A 58 -7.204 13.916 -8.960 1.00 43.52 H new ATOM 0 HZ1 LYS A 58 -6.239 14.628 -11.050 1.00 23.03 H new ATOM 0 HZ2 LYS A 58 -7.176 15.880 -10.388 1.00 23.03 H new ATOM 0 HZ3 LYS A 58 -5.482 15.947 -10.295 1.00 23.03 H new ATOM 896 N GLY A 59 -5.102 13.477 -2.839 1.00 21.10 N ATOM 897 CA GLY A 59 -5.024 12.564 -1.714 1.00 32.50 C ATOM 898 C GLY A 59 -3.887 11.571 -1.851 1.00 31.42 C ATOM 899 O GLY A 59 -2.750 11.839 -1.462 1.00 71.11 O ATOM 0 H GLY A 59 -4.206 13.703 -3.270 1.00 21.10 H new ATOM 0 HA2 GLY A 59 -4.895 13.135 -0.795 1.00 32.50 H new ATOM 0 HA3 GLY A 59 -5.966 12.023 -1.623 1.00 32.50 H new ATOM 903 N PRO A 60 -4.190 10.392 -2.414 1.00 33.40 N ATOM 904 CA PRO A 60 -3.198 9.331 -2.613 1.00 33.12 C ATOM 905 C PRO A 60 -2.173 9.689 -3.683 1.00 1.31 C ATOM 906 O PRO A 60 -2.511 9.822 -4.859 1.00 21.22 O ATOM 907 CB PRO A 60 -4.043 8.135 -3.060 1.00 44.04 C ATOM 908 CG PRO A 60 -5.261 8.738 -3.669 1.00 52.31 C ATOM 909 CD PRO A 60 -5.525 10.004 -2.901 1.00 21.45 C ATOM 0 HA PRO A 60 -2.614 9.145 -1.712 1.00 33.12 H new ATOM 0 HB2 PRO A 60 -3.505 7.517 -3.779 1.00 44.04 H new ATOM 0 HB3 PRO A 60 -4.298 7.493 -2.217 1.00 44.04 H new ATOM 0 HG2 PRO A 60 -5.105 8.949 -4.727 1.00 52.31 H new ATOM 0 HG3 PRO A 60 -6.109 8.057 -3.602 1.00 52.31 H new ATOM 0 HD2 PRO A 60 -5.961 10.775 -3.536 1.00 21.45 H new ATOM 0 HD3 PRO A 60 -6.220 9.837 -2.078 1.00 21.45 H new ATOM 917 N GLN A 61 -0.920 9.844 -3.267 1.00 50.32 N ATOM 918 CA GLN A 61 0.154 10.188 -4.192 1.00 21.35 C ATOM 919 C GLN A 61 1.228 9.105 -4.204 1.00 41.05 C ATOM 920 O GLN A 61 1.366 8.342 -3.249 1.00 12.23 O ATOM 921 CB GLN A 61 0.774 11.533 -3.809 1.00 72.12 C ATOM 922 CG GLN A 61 2.247 11.647 -4.165 1.00 43.11 C ATOM 923 CD GLN A 61 2.808 13.029 -3.892 1.00 63.33 C ATOM 924 OE1 GLN A 61 2.213 14.039 -4.269 1.00 61.43 O ATOM 925 NE2 GLN A 61 3.960 13.081 -3.233 1.00 61.24 N ATOM 0 H GLN A 61 -0.624 9.737 -2.297 1.00 50.32 H new ATOM 0 HA GLN A 61 -0.272 10.264 -5.193 1.00 21.35 H new ATOM 0 HB2 GLN A 61 0.225 12.332 -4.308 1.00 72.12 H new ATOM 0 HB3 GLN A 61 0.655 11.686 -2.736 1.00 72.12 H new ATOM 0 HG2 GLN A 61 2.813 10.910 -3.595 1.00 43.11 H new ATOM 0 HG3 GLN A 61 2.382 11.406 -5.219 1.00 43.11 H new ATOM 0 HE21 GLN A 61 4.419 12.219 -2.939 1.00 61.24 H new ATOM 0 HE22 GLN A 61 4.386 13.983 -3.021 1.00 61.24 H new ATOM 934 N ALA A 62 1.987 9.044 -5.294 1.00 74.11 N ATOM 935 CA ALA A 62 3.049 8.056 -5.431 1.00 24.34 C ATOM 936 C ALA A 62 4.282 8.461 -4.629 1.00 60.15 C ATOM 937 O ALA A 62 5.371 8.618 -5.182 1.00 52.24 O ATOM 938 CB ALA A 62 3.409 7.867 -6.897 1.00 21.42 C ATOM 0 H ALA A 62 1.885 9.668 -6.095 1.00 74.11 H new ATOM 0 HA ALA A 62 2.684 7.109 -5.034 1.00 24.34 H new ATOM 0 HB1 ALA A 62 4.204 7.126 -6.984 1.00 21.42 H new ATOM 0 HB2 ALA A 62 2.532 7.524 -7.446 1.00 21.42 H new ATOM 0 HB3 ALA A 62 3.750 8.815 -7.313 1.00 21.42 H new ATOM 944 N LYS A 63 4.104 8.629 -3.324 1.00 1.44 N ATOM 945 CA LYS A 63 5.202 9.016 -2.445 1.00 14.00 C ATOM 946 C LYS A 63 6.476 8.257 -2.800 1.00 20.31 C ATOM 947 O LYS A 63 7.562 8.835 -2.852 1.00 54.12 O ATOM 948 CB LYS A 63 4.829 8.754 -0.984 1.00 21.20 C ATOM 949 CG LYS A 63 6.025 8.721 -0.048 1.00 32.11 C ATOM 950 CD LYS A 63 6.813 10.019 -0.104 1.00 60.33 C ATOM 951 CE LYS A 63 6.015 11.180 0.468 1.00 4.51 C ATOM 952 NZ LYS A 63 6.511 11.584 1.813 1.00 42.51 N ATOM 0 H LYS A 63 3.209 8.503 -2.850 1.00 1.44 H new ATOM 0 HA LYS A 63 5.386 10.082 -2.581 1.00 14.00 H new ATOM 0 HB2 LYS A 63 4.138 9.528 -0.650 1.00 21.20 H new ATOM 0 HB3 LYS A 63 4.300 7.803 -0.918 1.00 21.20 H new ATOM 0 HG2 LYS A 63 5.685 8.545 0.972 1.00 32.11 H new ATOM 0 HG3 LYS A 63 6.675 7.888 -0.316 1.00 32.11 H new ATOM 0 HD2 LYS A 63 7.743 9.906 0.453 1.00 60.33 H new ATOM 0 HD3 LYS A 63 7.085 10.237 -1.137 1.00 60.33 H new ATOM 0 HE2 LYS A 63 6.073 12.030 -0.211 1.00 4.51 H new ATOM 0 HE3 LYS A 63 4.964 10.899 0.538 1.00 4.51 H new ATOM 0 HZ1 LYS A 63 5.817 11.308 2.536 1.00 42.51 H new ATOM 0 HZ2 LYS A 63 7.418 11.112 2.005 1.00 42.51 H new ATOM 0 HZ3 LYS A 63 6.645 12.615 1.838 1.00 42.51 H new ATOM 966 N LYS A 64 6.337 6.958 -3.044 1.00 51.24 N ATOM 967 CA LYS A 64 7.476 6.119 -3.397 1.00 40.35 C ATOM 968 C LYS A 64 7.183 5.304 -4.653 1.00 41.21 C ATOM 969 O LYS A 64 6.380 4.371 -4.626 1.00 43.25 O ATOM 970 CB LYS A 64 7.825 5.183 -2.238 1.00 75.34 C ATOM 971 CG LYS A 64 8.102 5.908 -0.933 1.00 64.30 C ATOM 972 CD LYS A 64 9.276 5.291 -0.191 1.00 63.34 C ATOM 973 CE LYS A 64 10.580 5.999 -0.524 1.00 44.24 C ATOM 974 NZ LYS A 64 10.704 7.299 0.192 1.00 61.02 N ATOM 0 H LYS A 64 5.446 6.463 -3.004 1.00 51.24 H new ATOM 0 HA LYS A 64 8.327 6.770 -3.598 1.00 40.35 H new ATOM 0 HB2 LYS A 64 7.003 4.483 -2.088 1.00 75.34 H new ATOM 0 HB3 LYS A 64 8.701 4.593 -2.509 1.00 75.34 H new ATOM 0 HG2 LYS A 64 8.310 6.958 -1.136 1.00 64.30 H new ATOM 0 HG3 LYS A 64 7.214 5.876 -0.302 1.00 64.30 H new ATOM 0 HD2 LYS A 64 9.097 5.343 0.883 1.00 63.34 H new ATOM 0 HD3 LYS A 64 9.357 4.235 -0.450 1.00 63.34 H new ATOM 0 HE2 LYS A 64 11.420 5.357 -0.259 1.00 44.24 H new ATOM 0 HE3 LYS A 64 10.636 6.170 -1.599 1.00 44.24 H new ATOM 0 HZ1 LYS A 64 11.391 7.904 -0.302 1.00 61.02 H new ATOM 0 HZ2 LYS A 64 9.778 7.773 0.214 1.00 61.02 H new ATOM 0 HZ3 LYS A 64 11.029 7.130 1.165 1.00 61.02 H new ATOM 988 N VAL A 65 7.840 5.662 -5.752 1.00 21.30 N ATOM 989 CA VAL A 65 7.652 4.962 -7.017 1.00 70.30 C ATOM 990 C VAL A 65 8.893 4.160 -7.391 1.00 64.14 C ATOM 991 O VAL A 65 10.021 4.601 -7.167 1.00 53.13 O ATOM 992 CB VAL A 65 7.325 5.943 -8.158 1.00 53.02 C ATOM 993 CG1 VAL A 65 8.177 5.643 -9.382 1.00 31.32 C ATOM 994 CG2 VAL A 65 5.844 5.885 -8.502 1.00 60.32 C ATOM 0 H VAL A 65 8.507 6.433 -5.792 1.00 21.30 H new ATOM 0 HA VAL A 65 6.811 4.282 -6.880 1.00 70.30 H new ATOM 0 HB VAL A 65 7.558 6.954 -7.822 1.00 53.02 H new ATOM 0 HG11 VAL A 65 7.932 6.347 -10.178 1.00 31.32 H new ATOM 0 HG12 VAL A 65 9.232 5.740 -9.124 1.00 31.32 H new ATOM 0 HG13 VAL A 65 7.979 4.627 -9.723 1.00 31.32 H new ATOM 0 HG21 VAL A 65 5.631 6.585 -9.310 1.00 60.32 H new ATOM 0 HG22 VAL A 65 5.583 4.875 -8.818 1.00 60.32 H new ATOM 0 HG23 VAL A 65 5.256 6.154 -7.625 1.00 60.32 H new ATOM 1004 N ARG A 66 8.679 2.980 -7.963 1.00 74.33 N ATOM 1005 CA ARG A 66 9.780 2.115 -8.369 1.00 4.25 C ATOM 1006 C ARG A 66 9.578 1.609 -9.794 1.00 5.21 C ATOM 1007 O ARG A 66 8.454 1.331 -10.211 1.00 21.11 O ATOM 1008 CB ARG A 66 9.907 0.931 -7.409 1.00 21.24 C ATOM 1009 CG ARG A 66 10.829 1.198 -6.230 1.00 13.01 C ATOM 1010 CD ARG A 66 11.515 -0.075 -5.760 1.00 5.20 C ATOM 1011 NE ARG A 66 12.697 -0.387 -6.560 1.00 53.21 N ATOM 1012 CZ ARG A 66 13.546 -1.365 -6.267 1.00 33.35 C ATOM 1013 NH1 ARG A 66 13.345 -2.123 -5.197 1.00 71.24 N ATOM 1014 NH2 ARG A 66 14.598 -1.588 -7.044 1.00 1.34 N ATOM 0 H ARG A 66 7.752 2.601 -8.156 1.00 74.33 H new ATOM 0 HA ARG A 66 10.699 2.700 -8.337 1.00 4.25 H new ATOM 0 HB2 ARG A 66 8.917 0.671 -7.034 1.00 21.24 H new ATOM 0 HB3 ARG A 66 10.277 0.066 -7.960 1.00 21.24 H new ATOM 0 HG2 ARG A 66 11.581 1.934 -6.514 1.00 13.01 H new ATOM 0 HG3 ARG A 66 10.256 1.628 -5.409 1.00 13.01 H new ATOM 0 HD2 ARG A 66 11.803 0.033 -4.714 1.00 5.20 H new ATOM 0 HD3 ARG A 66 10.812 -0.906 -5.812 1.00 5.20 H new ATOM 0 HE ARG A 66 12.880 0.178 -7.389 1.00 53.21 H new ATOM 0 HH11 ARG A 66 12.537 -1.955 -4.598 1.00 71.24 H new ATOM 0 HH12 ARG A 66 13.998 -2.874 -4.974 1.00 71.24 H new ATOM 0 HH21 ARG A 66 14.756 -1.008 -7.868 1.00 1.34 H new ATOM 0 HH22 ARG A 66 15.249 -2.340 -6.817 1.00 1.34 H new ATOM 1028 N ARG A 67 10.675 1.493 -10.536 1.00 11.21 N ATOM 1029 CA ARG A 67 10.618 1.023 -11.915 1.00 21.44 C ATOM 1030 C ARG A 67 10.466 -0.495 -11.965 1.00 43.14 C ATOM 1031 O ARG A 67 11.139 -1.220 -11.233 1.00 22.55 O ATOM 1032 CB ARG A 67 11.878 1.446 -12.673 1.00 32.53 C ATOM 1033 CG ARG A 67 12.294 2.883 -12.408 1.00 51.32 C ATOM 1034 CD ARG A 67 12.990 3.493 -13.615 1.00 75.12 C ATOM 1035 NE ARG A 67 14.440 3.339 -13.547 1.00 22.35 N ATOM 1036 CZ ARG A 67 15.089 2.275 -14.008 1.00 52.31 C ATOM 1037 NH1 ARG A 67 14.419 1.278 -14.569 1.00 41.01 N ATOM 1038 NH2 ARG A 67 16.410 2.208 -13.909 1.00 44.33 N ATOM 0 H ARG A 67 11.613 1.718 -10.205 1.00 11.21 H new ATOM 0 HA ARG A 67 9.748 1.474 -12.391 1.00 21.44 H new ATOM 0 HB2 ARG A 67 12.698 0.783 -12.397 1.00 32.53 H new ATOM 0 HB3 ARG A 67 11.709 1.317 -13.742 1.00 32.53 H new ATOM 0 HG2 ARG A 67 11.415 3.476 -12.155 1.00 51.32 H new ATOM 0 HG3 ARG A 67 12.961 2.917 -11.546 1.00 51.32 H new ATOM 0 HD2 ARG A 67 12.618 3.021 -14.525 1.00 75.12 H new ATOM 0 HD3 ARG A 67 12.741 4.552 -13.680 1.00 75.12 H new ATOM 0 HE ARG A 67 14.985 4.089 -13.122 1.00 22.35 H new ATOM 0 HH11 ARG A 67 13.403 1.327 -14.647 1.00 41.01 H new ATOM 0 HH12 ARG A 67 14.919 0.462 -14.922 1.00 41.01 H new ATOM 0 HH21 ARG A 67 16.929 2.974 -13.479 1.00 44.33 H new ATOM 0 HH22 ARG A 67 16.907 1.391 -14.263 1.00 44.33 H new ATOM 1052 N ILE A 68 9.579 -0.967 -12.834 1.00 54.21 N ATOM 1053 CA ILE A 68 9.339 -2.397 -12.980 1.00 64.23 C ATOM 1054 C ILE A 68 9.146 -2.775 -14.445 1.00 34.32 C ATOM 1055 O ILE A 68 8.114 -2.473 -15.044 1.00 15.21 O ATOM 1056 CB ILE A 68 8.104 -2.846 -12.178 1.00 71.30 C ATOM 1057 CG1 ILE A 68 8.123 -2.224 -10.780 1.00 72.51 C ATOM 1058 CG2 ILE A 68 8.054 -4.364 -12.088 1.00 31.11 C ATOM 1059 CD1 ILE A 68 9.166 -2.827 -9.865 1.00 13.11 C ATOM 0 H ILE A 68 9.014 -0.380 -13.448 1.00 54.21 H new ATOM 0 HA ILE A 68 10.220 -2.906 -12.589 1.00 64.23 H new ATOM 0 HB ILE A 68 7.208 -2.503 -12.696 1.00 71.30 H new ATOM 0 HG12 ILE A 68 8.306 -1.153 -10.870 1.00 72.51 H new ATOM 0 HG13 ILE A 68 7.140 -2.343 -10.325 1.00 72.51 H new ATOM 0 HG21 ILE A 68 7.175 -4.666 -11.518 1.00 31.11 H new ATOM 0 HG22 ILE A 68 7.998 -4.786 -13.091 1.00 31.11 H new ATOM 0 HG23 ILE A 68 8.952 -4.729 -11.590 1.00 31.11 H new ATOM 0 HD11 ILE A 68 9.122 -2.338 -8.892 1.00 13.11 H new ATOM 0 HD12 ILE A 68 8.972 -3.893 -9.745 1.00 13.11 H new ATOM 0 HD13 ILE A 68 10.156 -2.685 -10.298 1.00 13.11 H new TER 1071 ILE A 68