USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 822 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 29 TYR OH : rot 166:sc= 1.19 USER MOD Set 1.2: A 97 THR OG1 : rot 47:sc= 0.169 USER MOD Single : A 9 SER OG : rot 180:sc= -0.067 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.161 K(o=-0.16,f=-0.98) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -2.55! C(o=-2.5!,f=-8.5!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.3 USER MOD Single : A 47 ASN : amide:sc= -1.4 X(o=-1.4,f=-1.3) USER MOD Single : A 53 THR OG1 : rot -47:sc= 1.54 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot -99:sc= -0.0675 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 63 GLN : amide:sc= -0.0093 X(o=-0.0093,f=-0.17) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 67 SER OG : rot 105:sc= 0.545 USER MOD Single : A 69 GLN : amide:sc= -0.161 X(o=-0.16,f=-0.21) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.0414 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.515 USER MOD Single : A 80 ASN : amide:sc= -2.58! C(o=-2.6!,f=-3.4!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= -0.202 USER MOD Single : A 87 CYS SG : rot 74:sc= 0.0321 USER MOD Single : A 89 HIS : no HD1:sc= -0.614 K(o=0.11,f=-4.1!) USER MOD Single : A 90 GLN : amide:sc= -0.661 K(o=-0.66,f=-1.3!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ -179:sc= 0 (180deg=-1.84e-05) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 -9.434 5.876 -8.071 1.00 31.23 N ATOM 64 CA VAL A 7 -9.745 6.864 -9.097 1.00 12.45 C ATOM 65 C VAL A 7 -11.021 7.626 -8.756 1.00 62.03 C ATOM 66 O VAL A 7 -10.988 8.831 -8.501 1.00 55.14 O ATOM 67 CB VAL A 7 -9.907 6.207 -10.479 1.00 24.51 C ATOM 68 CG1 VAL A 7 -10.177 7.259 -11.544 1.00 32.25 C ATOM 69 CG2 VAL A 7 -8.671 5.390 -10.828 1.00 33.30 C ATOM 0 HA VAL A 7 -8.907 7.560 -9.131 1.00 12.45 H new ATOM 0 HB VAL A 7 -10.763 5.534 -10.443 1.00 24.51 H new ATOM 0 HG11 VAL A 7 -10.289 6.774 -12.514 1.00 32.25 H new ATOM 0 HG12 VAL A 7 -11.093 7.797 -11.300 1.00 32.25 H new ATOM 0 HG13 VAL A 7 -9.343 7.960 -11.582 1.00 32.25 H new ATOM 0 HG21 VAL A 7 -8.802 4.932 -11.808 1.00 33.30 H new ATOM 0 HG22 VAL A 7 -7.797 6.041 -10.846 1.00 33.30 H new ATOM 0 HG23 VAL A 7 -8.527 4.610 -10.080 1.00 33.30 H new ATOM 79 N LEU A 8 -12.144 6.916 -8.754 1.00 11.50 N ATOM 80 CA LEU A 8 -13.433 7.526 -8.444 1.00 63.33 C ATOM 81 C LEU A 8 -14.009 6.954 -7.154 1.00 72.50 C ATOM 82 O LEU A 8 -14.340 5.770 -7.081 1.00 32.12 O ATOM 83 CB LEU A 8 -14.414 7.304 -9.597 1.00 21.31 C ATOM 84 CG LEU A 8 -13.984 7.848 -10.959 1.00 43.13 C ATOM 85 CD1 LEU A 8 -15.093 7.664 -11.983 1.00 72.33 C ATOM 86 CD2 LEU A 8 -13.596 9.315 -10.849 1.00 44.15 C ATOM 0 H LEU A 8 -12.188 5.919 -8.963 1.00 11.50 H new ATOM 0 HA LEU A 8 -13.278 8.596 -8.308 1.00 63.33 H new ATOM 0 HB2 LEU A 8 -14.591 6.233 -9.696 1.00 21.31 H new ATOM 0 HB3 LEU A 8 -15.367 7.761 -9.330 1.00 21.31 H new ATOM 0 HG LEU A 8 -13.112 7.286 -11.294 1.00 43.13 H new ATOM 0 HD11 LEU A 8 -14.768 8.057 -12.946 1.00 72.33 H new ATOM 0 HD12 LEU A 8 -15.323 6.603 -12.083 1.00 72.33 H new ATOM 0 HD13 LEU A 8 -15.984 8.199 -11.655 1.00 72.33 H new ATOM 0 HD21 LEU A 8 -13.293 9.686 -11.828 1.00 44.15 H new ATOM 0 HD22 LEU A 8 -14.449 9.891 -10.491 1.00 44.15 H new ATOM 0 HD23 LEU A 8 -12.768 9.421 -10.148 1.00 44.15 H new ATOM 98 N SER A 9 -14.129 7.803 -6.138 1.00 72.32 N ATOM 99 CA SER A 9 -14.665 7.382 -4.849 1.00 31.45 C ATOM 100 C SER A 9 -16.134 6.989 -4.973 1.00 52.03 C ATOM 101 O SER A 9 -16.675 6.904 -6.074 1.00 62.04 O ATOM 102 CB SER A 9 -14.510 8.501 -3.817 1.00 64.10 C ATOM 103 OG SER A 9 -15.677 9.302 -3.755 1.00 13.35 O ATOM 0 H SER A 9 -13.862 8.786 -6.183 1.00 72.32 H new ATOM 0 HA SER A 9 -14.101 6.511 -4.517 1.00 31.45 H new ATOM 0 HB2 SER A 9 -14.308 8.070 -2.836 1.00 64.10 H new ATOM 0 HB3 SER A 9 -13.652 9.122 -4.075 1.00 64.10 H new ATOM 0 HG SER A 9 -15.554 10.009 -3.087 1.00 13.35 H new ATOM 109 N GLY A 10 -16.775 6.750 -3.832 1.00 52.34 N ATOM 110 CA GLY A 10 -18.175 6.370 -3.834 1.00 13.33 C ATOM 111 C GLY A 10 -19.044 7.360 -4.584 1.00 72.51 C ATOM 112 O GLY A 10 -19.834 6.975 -5.446 1.00 2.21 O ATOM 0 H GLY A 10 -16.349 6.813 -2.907 1.00 52.34 H new ATOM 0 HA2 GLY A 10 -18.280 5.384 -4.286 1.00 13.33 H new ATOM 0 HA3 GLY A 10 -18.527 6.288 -2.806 1.00 13.33 H new ATOM 116 N GLY A 11 -18.901 8.640 -4.254 1.00 74.33 N ATOM 117 CA GLY A 11 -19.687 9.668 -4.911 1.00 71.32 C ATOM 118 C GLY A 11 -19.341 9.812 -6.380 1.00 11.52 C ATOM 119 O GLY A 11 -20.229 9.884 -7.228 1.00 63.10 O ATOM 0 H GLY A 11 -18.255 8.983 -3.543 1.00 74.33 H new ATOM 0 HA2 GLY A 11 -20.746 9.430 -4.812 1.00 71.32 H new ATOM 0 HA3 GLY A 11 -19.526 10.621 -4.408 1.00 71.32 H new ATOM 123 N GLU A 12 -18.047 9.858 -6.679 1.00 11.13 N ATOM 124 CA GLU A 12 -17.586 9.999 -8.055 1.00 61.42 C ATOM 125 C GLU A 12 -18.036 8.813 -8.903 1.00 4.23 C ATOM 126 O GLU A 12 -18.270 8.948 -10.105 1.00 24.23 O ATOM 127 CB GLU A 12 -16.061 10.121 -8.096 1.00 71.10 C ATOM 128 CG GLU A 12 -15.502 11.109 -7.087 1.00 52.54 C ATOM 129 CD GLU A 12 -14.017 11.354 -7.271 1.00 70.42 C ATOM 130 OE1 GLU A 12 -13.217 10.492 -6.846 1.00 53.34 O ATOM 131 OE2 GLU A 12 -13.653 12.404 -7.838 1.00 42.35 O1- ATOM 0 H GLU A 12 -17.300 9.800 -5.987 1.00 11.13 H new ATOM 0 HA GLU A 12 -18.026 10.907 -8.468 1.00 61.42 H new ATOM 0 HB2 GLU A 12 -15.622 9.140 -7.913 1.00 71.10 H new ATOM 0 HB3 GLU A 12 -15.756 10.425 -9.097 1.00 71.10 H new ATOM 0 HG2 GLU A 12 -16.036 12.055 -7.176 1.00 52.54 H new ATOM 0 HG3 GLU A 12 -15.683 10.735 -6.079 1.00 52.54 H new ATOM 138 N LEU A 13 -18.154 7.651 -8.270 1.00 2.34 N ATOM 139 CA LEU A 13 -18.574 6.440 -8.964 1.00 70.21 C ATOM 140 C LEU A 13 -20.010 6.569 -9.463 1.00 33.33 C ATOM 141 O LEU A 13 -20.288 6.371 -10.646 1.00 24.11 O ATOM 142 CB LEU A 13 -18.451 5.228 -8.039 1.00 3.34 C ATOM 143 CG LEU A 13 -18.479 3.859 -8.719 1.00 31.11 C ATOM 144 CD1 LEU A 13 -17.371 3.753 -9.755 1.00 41.11 C ATOM 145 CD2 LEU A 13 -18.354 2.748 -7.686 1.00 63.00 C ATOM 0 H LEU A 13 -17.964 7.522 -7.276 1.00 2.34 H new ATOM 0 HA LEU A 13 -17.920 6.300 -9.825 1.00 70.21 H new ATOM 0 HB2 LEU A 13 -17.519 5.315 -7.481 1.00 3.34 H new ATOM 0 HB3 LEU A 13 -19.262 5.267 -7.312 1.00 3.34 H new ATOM 0 HG LEU A 13 -19.436 3.748 -9.229 1.00 31.11 H new ATOM 0 HD11 LEU A 13 -17.408 2.772 -10.228 1.00 41.11 H new ATOM 0 HD12 LEU A 13 -17.506 4.526 -10.512 1.00 41.11 H new ATOM 0 HD13 LEU A 13 -16.404 3.886 -9.269 1.00 41.11 H new ATOM 0 HD21 LEU A 13 -18.376 1.781 -8.188 1.00 63.00 H new ATOM 0 HD22 LEU A 13 -17.413 2.856 -7.147 1.00 63.00 H new ATOM 0 HD23 LEU A 13 -19.184 2.810 -6.982 1.00 63.00 H new ATOM 157 N ASP A 14 -20.918 6.904 -8.553 1.00 74.33 N ATOM 158 CA ASP A 14 -22.326 7.063 -8.900 1.00 64.23 C ATOM 159 C ASP A 14 -22.491 8.023 -10.073 1.00 3.10 C ATOM 160 O ASP A 14 -23.142 7.701 -11.068 1.00 55.21 O ATOM 161 CB ASP A 14 -23.117 7.571 -7.694 1.00 31.42 C ATOM 162 CG ASP A 14 -24.602 7.291 -7.815 1.00 65.30 C ATOM 163 OD1 ASP A 14 -24.964 6.135 -8.114 1.00 73.21 O1- ATOM 164 OD2 ASP A 14 -25.401 8.230 -7.613 1.00 22.53 O ATOM 0 H ASP A 14 -20.705 7.071 -7.570 1.00 74.33 H new ATOM 0 HA ASP A 14 -22.714 6.088 -9.194 1.00 64.23 H new ATOM 0 HB2 ASP A 14 -22.734 7.101 -6.788 1.00 31.42 H new ATOM 0 HB3 ASP A 14 -22.960 8.644 -7.587 1.00 31.42 H new ATOM 169 N LYS A 15 -21.898 9.206 -9.951 1.00 30.12 N ATOM 170 CA LYS A 15 -21.978 10.215 -11.001 1.00 22.40 C ATOM 171 C LYS A 15 -21.329 9.714 -12.287 1.00 12.20 C ATOM 172 O LYS A 15 -21.842 9.946 -13.382 1.00 25.34 O ATOM 173 CB LYS A 15 -21.300 11.509 -10.545 1.00 72.42 C ATOM 174 CG LYS A 15 -21.892 12.090 -9.272 1.00 63.13 C ATOM 175 CD LYS A 15 -23.310 12.589 -9.494 1.00 1.12 C ATOM 176 CE LYS A 15 -23.915 13.136 -8.211 1.00 14.43 C ATOM 177 NZ LYS A 15 -23.481 14.535 -7.945 1.00 54.22 N1+ ATOM 0 H LYS A 15 -21.356 9.490 -9.135 1.00 30.12 H new ATOM 0 HA LYS A 15 -23.031 10.414 -11.200 1.00 22.40 H new ATOM 0 HB2 LYS A 15 -20.239 11.317 -10.388 1.00 72.42 H new ATOM 0 HB3 LYS A 15 -21.375 12.249 -11.342 1.00 72.42 H new ATOM 0 HG2 LYS A 15 -21.891 11.331 -8.490 1.00 63.13 H new ATOM 0 HG3 LYS A 15 -21.267 12.911 -8.921 1.00 63.13 H new ATOM 0 HD2 LYS A 15 -23.308 13.367 -10.257 1.00 1.12 H new ATOM 0 HD3 LYS A 15 -23.929 11.775 -9.871 1.00 1.12 H new ATOM 0 HE2 LYS A 15 -25.002 13.100 -8.278 1.00 14.43 H new ATOM 0 HE3 LYS A 15 -23.626 12.501 -7.374 1.00 14.43 H new ATOM 0 HZ1 LYS A 15 -23.915 14.871 -7.062 1.00 54.22 H new ATOM 0 HZ2 LYS A 15 -22.445 14.566 -7.856 1.00 54.22 H new ATOM 0 HZ3 LYS A 15 -23.779 15.146 -8.732 1.00 54.22 H new ATOM 191 N TRP A 16 -20.201 9.027 -12.146 1.00 65.15 N ATOM 192 CA TRP A 16 -19.483 8.493 -13.299 1.00 54.24 C ATOM 193 C TRP A 16 -20.389 7.600 -14.139 1.00 53.43 C ATOM 194 O TRP A 16 -20.554 7.822 -15.338 1.00 44.12 O ATOM 195 CB TRP A 16 -18.255 7.706 -12.840 1.00 33.21 C ATOM 196 CG TRP A 16 -17.526 7.033 -13.964 1.00 21.10 C ATOM 197 CD1 TRP A 16 -17.600 5.716 -14.316 1.00 21.33 C ATOM 198 CD2 TRP A 16 -16.613 7.646 -14.881 1.00 74.13 C ATOM 199 NE1 TRP A 16 -16.786 5.472 -15.396 1.00 41.14 N ATOM 200 CE2 TRP A 16 -16.171 6.639 -15.762 1.00 43.24 C ATOM 201 CE3 TRP A 16 -16.127 8.946 -15.045 1.00 34.23 C ATOM 202 CZ2 TRP A 16 -15.267 6.896 -16.790 1.00 61.43 C ATOM 203 CZ3 TRP A 16 -15.229 9.198 -16.064 1.00 73.23 C ATOM 204 CH2 TRP A 16 -14.808 8.178 -16.927 1.00 65.21 C ATOM 0 H TRP A 16 -19.764 8.827 -11.246 1.00 65.15 H new ATOM 0 HA TRP A 16 -19.160 9.332 -13.915 1.00 54.24 H new ATOM 0 HB2 TRP A 16 -17.571 8.381 -12.326 1.00 33.21 H new ATOM 0 HB3 TRP A 16 -18.565 6.953 -12.115 1.00 33.21 H new ATOM 0 HD1 TRP A 16 -18.209 4.975 -13.819 1.00 21.33 H new ATOM 0 HE1 TRP A 16 -16.660 4.568 -15.851 1.00 41.14 H new ATOM 0 HE3 TRP A 16 -16.448 9.740 -14.387 1.00 34.23 H new ATOM 0 HZ2 TRP A 16 -14.940 6.111 -17.456 1.00 61.43 H new ATOM 0 HZ3 TRP A 16 -14.845 10.199 -16.198 1.00 73.23 H new ATOM 0 HH2 TRP A 16 -14.107 8.408 -17.716 1.00 65.21 H new ATOM 215 N GLU A 17 -20.976 6.592 -13.501 1.00 55.41 N ATOM 216 CA GLU A 17 -21.866 5.666 -14.193 1.00 13.22 C ATOM 217 C GLU A 17 -23.027 6.412 -14.844 1.00 12.31 C ATOM 218 O GLU A 17 -23.602 5.949 -15.830 1.00 50.42 O ATOM 219 CB GLU A 17 -22.403 4.617 -13.218 1.00 32.42 C ATOM 220 CG GLU A 17 -21.398 3.527 -12.883 1.00 72.11 C ATOM 221 CD GLU A 17 -22.059 2.262 -12.368 1.00 62.20 C ATOM 222 OE1 GLU A 17 -22.662 2.311 -11.275 1.00 44.44 O ATOM 223 OE2 GLU A 17 -21.973 1.224 -13.057 1.00 10.53 O1- ATOM 0 H GLU A 17 -20.852 6.396 -12.508 1.00 55.41 H new ATOM 0 HA GLU A 17 -21.293 5.167 -14.975 1.00 13.22 H new ATOM 0 HB2 GLU A 17 -22.710 5.112 -12.297 1.00 32.42 H new ATOM 0 HB3 GLU A 17 -23.295 4.159 -13.645 1.00 32.42 H new ATOM 0 HG2 GLU A 17 -20.814 3.291 -13.772 1.00 72.11 H new ATOM 0 HG3 GLU A 17 -20.700 3.899 -12.133 1.00 72.11 H new ATOM 230 N LYS A 18 -23.367 7.569 -14.285 1.00 63.13 N ATOM 231 CA LYS A 18 -24.459 8.381 -14.811 1.00 34.34 C ATOM 232 C LYS A 18 -24.037 9.098 -16.089 1.00 1.11 C ATOM 233 O LYS A 18 -24.729 9.035 -17.105 1.00 71.11 O ATOM 234 CB LYS A 18 -24.911 9.402 -13.765 1.00 1.33 C ATOM 235 CG LYS A 18 -26.412 9.633 -13.749 1.00 64.24 C ATOM 236 CD LYS A 18 -26.838 10.607 -14.837 1.00 22.23 C ATOM 237 CE LYS A 18 -26.950 12.026 -14.300 1.00 63.42 C ATOM 238 NZ LYS A 18 -26.307 13.014 -15.209 1.00 62.12 N1+ ATOM 0 H LYS A 18 -22.902 7.965 -13.468 1.00 63.13 H new ATOM 0 HA LYS A 18 -25.292 7.718 -15.046 1.00 34.34 H new ATOM 0 HB2 LYS A 18 -24.593 9.064 -12.779 1.00 1.33 H new ATOM 0 HB3 LYS A 18 -24.408 10.350 -13.954 1.00 1.33 H new ATOM 0 HG2 LYS A 18 -26.929 8.683 -13.887 1.00 64.24 H new ATOM 0 HG3 LYS A 18 -26.711 10.020 -12.775 1.00 64.24 H new ATOM 0 HD2 LYS A 18 -26.116 10.581 -15.653 1.00 22.23 H new ATOM 0 HD3 LYS A 18 -27.798 10.296 -15.250 1.00 22.23 H new ATOM 0 HE2 LYS A 18 -28.001 12.283 -14.169 1.00 63.42 H new ATOM 0 HE3 LYS A 18 -26.484 12.080 -13.316 1.00 63.42 H new ATOM 0 HZ1 LYS A 18 -26.404 13.969 -14.809 1.00 62.12 H new ATOM 0 HZ2 LYS A 18 -25.298 12.784 -15.314 1.00 62.12 H new ATOM 0 HZ3 LYS A 18 -26.769 12.981 -16.140 1.00 62.12 H new ATOM 252 N ILE A 19 -22.897 9.779 -16.031 1.00 51.00 N ATOM 253 CA ILE A 19 -22.382 10.506 -17.184 1.00 44.13 C ATOM 254 C ILE A 19 -22.324 9.611 -18.418 1.00 20.44 C ATOM 255 O ILE A 19 -21.977 8.433 -18.326 1.00 2.21 O ATOM 256 CB ILE A 19 -20.978 11.075 -16.911 1.00 42.21 C ATOM 257 CG1 ILE A 19 -21.009 12.008 -15.699 1.00 34.33 C ATOM 258 CG2 ILE A 19 -20.455 11.808 -18.137 1.00 14.12 C ATOM 259 CD1 ILE A 19 -19.866 11.784 -14.734 1.00 11.14 C ATOM 0 H ILE A 19 -22.313 9.842 -15.197 1.00 51.00 H new ATOM 0 HA ILE A 19 -23.070 11.331 -17.368 1.00 44.13 H new ATOM 0 HB ILE A 19 -20.303 10.247 -16.692 1.00 42.21 H new ATOM 0 HG12 ILE A 19 -20.984 13.041 -16.045 1.00 34.33 H new ATOM 0 HG13 ILE A 19 -21.952 11.872 -15.170 1.00 34.33 H new ATOM 0 HG21 ILE A 19 -19.461 12.204 -17.928 1.00 14.12 H new ATOM 0 HG22 ILE A 19 -20.400 11.117 -18.978 1.00 14.12 H new ATOM 0 HG23 ILE A 19 -21.128 12.629 -18.385 1.00 14.12 H new ATOM 0 HD11 ILE A 19 -19.952 12.480 -13.900 1.00 11.14 H new ATOM 0 HD12 ILE A 19 -19.902 10.761 -14.358 1.00 11.14 H new ATOM 0 HD13 ILE A 19 -18.919 11.949 -15.247 1.00 11.14 H new ATOM 271 N ARG A 20 -22.666 10.177 -19.571 1.00 33.34 N ATOM 272 CA ARG A 20 -22.652 9.430 -20.823 1.00 11.54 C ATOM 273 C ARG A 20 -21.460 9.836 -21.684 1.00 24.50 C ATOM 274 O ARG A 20 -20.899 10.919 -21.516 1.00 24.32 O ATOM 275 CB ARG A 20 -23.953 9.661 -21.593 1.00 15.13 C ATOM 276 CG ARG A 20 -24.343 11.126 -21.705 1.00 32.15 C ATOM 277 CD ARG A 20 -25.252 11.549 -20.562 1.00 50.23 C ATOM 278 NE ARG A 20 -26.658 11.282 -20.854 1.00 53.52 N ATOM 279 CZ ARG A 20 -27.652 11.594 -20.029 1.00 42.55 C ATOM 280 NH1 ARG A 20 -27.395 12.182 -18.869 1.00 34.23 N1+ ATOM 281 NH2 ARG A 20 -28.906 11.320 -20.365 1.00 45.24 N ATOM 0 H ARG A 20 -22.956 11.150 -19.664 1.00 33.34 H new ATOM 0 HA ARG A 20 -22.562 8.370 -20.585 1.00 11.54 H new ATOM 0 HB2 ARG A 20 -23.851 9.243 -22.595 1.00 15.13 H new ATOM 0 HB3 ARG A 20 -24.758 9.116 -21.101 1.00 15.13 H new ATOM 0 HG2 ARG A 20 -23.445 11.744 -21.705 1.00 32.15 H new ATOM 0 HG3 ARG A 20 -24.848 11.298 -22.656 1.00 32.15 H new ATOM 0 HD2 ARG A 20 -24.963 11.019 -19.654 1.00 50.23 H new ATOM 0 HD3 ARG A 20 -25.118 12.613 -20.367 1.00 50.23 H new ATOM 0 HE ARG A 20 -26.890 10.832 -21.739 1.00 53.52 H new ATOM 0 HH11 ARG A 20 -26.432 12.396 -18.608 1.00 34.23 H new ATOM 0 HH12 ARG A 20 -28.160 12.420 -18.238 1.00 34.23 H new ATOM 0 HH21 ARG A 20 -29.108 10.869 -21.257 1.00 45.24 H new ATOM 0 HH22 ARG A 20 -29.668 11.560 -19.731 1.00 45.24 H new ATOM 295 N LEU A 21 -21.077 8.958 -22.605 1.00 44.44 N ATOM 296 CA LEU A 21 -19.950 9.224 -23.493 1.00 71.32 C ATOM 297 C LEU A 21 -20.334 10.232 -24.572 1.00 5.33 C ATOM 298 O LEU A 21 -19.554 11.125 -24.905 1.00 53.04 O ATOM 299 CB LEU A 21 -19.469 7.924 -24.142 1.00 35.00 C ATOM 300 CG LEU A 21 -19.212 6.755 -23.191 1.00 44.13 C ATOM 301 CD1 LEU A 21 -19.681 5.448 -23.812 1.00 63.14 C ATOM 302 CD2 LEU A 21 -17.736 6.677 -22.830 1.00 30.33 C ATOM 0 H LEU A 21 -21.530 8.057 -22.756 1.00 44.44 H new ATOM 0 HA LEU A 21 -19.141 9.647 -22.897 1.00 71.32 H new ATOM 0 HB2 LEU A 21 -20.211 7.612 -24.877 1.00 35.00 H new ATOM 0 HB3 LEU A 21 -18.548 8.132 -24.687 1.00 35.00 H new ATOM 0 HG LEU A 21 -19.781 6.923 -22.277 1.00 44.13 H new ATOM 0 HD11 LEU A 21 -19.490 4.627 -23.121 1.00 63.14 H new ATOM 0 HD12 LEU A 21 -20.750 5.506 -24.019 1.00 63.14 H new ATOM 0 HD13 LEU A 21 -19.140 5.272 -24.742 1.00 63.14 H new ATOM 0 HD21 LEU A 21 -17.571 5.839 -22.152 1.00 30.33 H new ATOM 0 HD22 LEU A 21 -17.147 6.533 -23.736 1.00 30.33 H new ATOM 0 HD23 LEU A 21 -17.431 7.603 -22.343 1.00 30.33 H new ATOM 314 N ARG A 22 -21.539 10.085 -25.112 1.00 21.34 N ATOM 315 CA ARG A 22 -22.025 10.983 -26.151 1.00 42.24 C ATOM 316 C ARG A 22 -23.277 11.722 -25.689 1.00 61.14 C ATOM 317 O ARG A 22 -23.971 11.300 -24.764 1.00 4.34 O ATOM 318 CB ARG A 22 -22.325 10.201 -27.433 1.00 11.45 C ATOM 319 CG ARG A 22 -21.310 10.432 -28.538 1.00 45.34 C ATOM 320 CD ARG A 22 -21.985 10.578 -29.893 1.00 52.14 C ATOM 321 NE ARG A 22 -21.045 10.987 -30.933 1.00 10.13 N ATOM 322 CZ ARG A 22 -21.385 11.160 -32.205 1.00 71.41 C ATOM 323 NH1 ARG A 22 -22.637 10.961 -32.593 1.00 34.42 N1+ ATOM 324 NH2 ARG A 22 -20.472 11.533 -33.094 1.00 32.24 N ATOM 0 H ARG A 22 -22.197 9.352 -24.847 1.00 21.34 H new ATOM 0 HA ARG A 22 -21.245 11.717 -26.355 1.00 42.24 H new ATOM 0 HB2 ARG A 22 -22.360 9.137 -27.200 1.00 11.45 H new ATOM 0 HB3 ARG A 22 -23.314 10.480 -27.796 1.00 11.45 H new ATOM 0 HG2 ARG A 22 -20.731 11.330 -28.320 1.00 45.34 H new ATOM 0 HG3 ARG A 22 -20.607 9.599 -28.568 1.00 45.34 H new ATOM 0 HD2 ARG A 22 -22.445 9.630 -30.173 1.00 52.14 H new ATOM 0 HD3 ARG A 22 -22.787 11.312 -29.821 1.00 52.14 H new ATOM 0 HE ARG A 22 -20.073 11.149 -30.668 1.00 10.13 H new ATOM 0 HH11 ARG A 22 -23.342 10.674 -31.914 1.00 34.42 H new ATOM 0 HH12 ARG A 22 -22.895 11.095 -33.571 1.00 34.42 H new ATOM 0 HH21 ARG A 22 -19.507 11.687 -32.800 1.00 32.24 H new ATOM 0 HH22 ARG A 22 -20.735 11.665 -34.071 1.00 32.24 H new ATOM 338 N PRO A 23 -23.575 12.852 -26.348 1.00 20.32 N ATOM 339 CA PRO A 23 -24.744 13.674 -26.022 1.00 73.42 C ATOM 340 C PRO A 23 -26.055 12.992 -26.400 1.00 42.23 C ATOM 341 O PRO A 23 -27.072 13.165 -25.730 1.00 14.23 O ATOM 342 CB PRO A 23 -24.537 14.936 -26.862 1.00 42.22 C ATOM 343 CG PRO A 23 -23.686 14.496 -28.003 1.00 73.14 C ATOM 344 CD PRO A 23 -22.793 13.414 -27.462 1.00 14.35 C ATOM 0 HA PRO A 23 -24.821 13.866 -24.952 1.00 73.42 H new ATOM 0 HB2 PRO A 23 -25.488 15.340 -27.210 1.00 42.22 H new ATOM 0 HB3 PRO A 23 -24.049 15.721 -26.284 1.00 42.22 H new ATOM 0 HG2 PRO A 23 -24.298 14.123 -28.824 1.00 73.14 H new ATOM 0 HG3 PRO A 23 -23.099 15.327 -28.395 1.00 73.14 H new ATOM 0 HD2 PRO A 23 -22.571 12.661 -28.218 1.00 14.35 H new ATOM 0 HD3 PRO A 23 -21.838 13.814 -27.121 1.00 14.35 H new ATOM 352 N GLY A 24 -26.024 12.216 -27.480 1.00 13.23 N ATOM 353 CA GLY A 24 -27.216 11.520 -27.927 1.00 53.40 C ATOM 354 C GLY A 24 -26.971 10.043 -28.162 1.00 32.22 C ATOM 355 O GLY A 24 -27.209 9.533 -29.256 1.00 22.11 O ATOM 0 H GLY A 24 -25.195 12.057 -28.053 1.00 13.23 H new ATOM 0 HA2 GLY A 24 -28.004 11.641 -27.183 1.00 53.40 H new ATOM 0 HA3 GLY A 24 -27.575 11.977 -28.849 1.00 53.40 H new ATOM 359 N GLY A 25 -26.492 9.352 -27.131 1.00 11.23 N ATOM 360 CA GLY A 25 -26.221 7.932 -27.251 1.00 3.04 C ATOM 361 C GLY A 25 -27.159 7.089 -26.412 1.00 55.21 C ATOM 362 O GLY A 25 -28.152 7.591 -25.883 1.00 14.31 O ATOM 0 H GLY A 25 -26.287 9.751 -26.215 1.00 11.23 H new ATOM 0 HA2 GLY A 25 -26.309 7.636 -28.296 1.00 3.04 H new ATOM 0 HA3 GLY A 25 -25.192 7.735 -26.949 1.00 3.04 H new ATOM 366 N LYS A 26 -26.849 5.803 -26.290 1.00 12.32 N ATOM 367 CA LYS A 26 -27.672 4.887 -25.510 1.00 13.44 C ATOM 368 C LYS A 26 -26.818 4.084 -24.533 1.00 70.04 C ATOM 369 O LYS A 26 -27.178 2.973 -24.146 1.00 63.44 O ATOM 370 CB LYS A 26 -28.435 3.938 -26.436 1.00 51.13 C ATOM 371 CG LYS A 26 -29.862 3.670 -25.992 1.00 31.22 C ATOM 372 CD LYS A 26 -30.242 2.211 -26.187 1.00 14.13 C ATOM 373 CE LYS A 26 -31.437 1.827 -25.327 1.00 53.11 C ATOM 374 NZ LYS A 26 -31.573 0.350 -25.194 1.00 40.23 N1+ ATOM 0 H LYS A 26 -26.032 5.371 -26.722 1.00 12.32 H new ATOM 0 HA LYS A 26 -28.387 5.479 -24.938 1.00 13.44 H new ATOM 0 HB2 LYS A 26 -28.449 4.359 -27.441 1.00 51.13 H new ATOM 0 HB3 LYS A 26 -27.898 2.991 -26.494 1.00 51.13 H new ATOM 0 HG2 LYS A 26 -29.974 3.939 -24.942 1.00 31.22 H new ATOM 0 HG3 LYS A 26 -30.545 4.304 -26.558 1.00 31.22 H new ATOM 0 HD2 LYS A 26 -30.475 2.032 -27.237 1.00 14.13 H new ATOM 0 HD3 LYS A 26 -29.392 1.576 -25.936 1.00 14.13 H new ATOM 0 HE2 LYS A 26 -31.331 2.272 -24.338 1.00 53.11 H new ATOM 0 HE3 LYS A 26 -32.347 2.237 -25.765 1.00 53.11 H new ATOM 0 HZ1 LYS A 26 -32.398 0.129 -24.601 1.00 40.23 H new ATOM 0 HZ2 LYS A 26 -31.700 -0.073 -26.136 1.00 40.23 H new ATOM 0 HZ3 LYS A 26 -30.716 -0.039 -24.752 1.00 40.23 H new ATOM 388 N LYS A 27 -25.685 4.655 -24.138 1.00 54.13 N ATOM 389 CA LYS A 27 -24.779 3.995 -23.205 1.00 53.33 C ATOM 390 C LYS A 27 -24.094 5.014 -22.300 1.00 23.53 C ATOM 391 O LYS A 27 -23.669 6.075 -22.756 1.00 31.42 O ATOM 392 CB LYS A 27 -23.729 3.186 -23.968 1.00 62.45 C ATOM 393 CG LYS A 27 -23.594 1.753 -23.481 1.00 64.54 C ATOM 394 CD LYS A 27 -22.695 1.661 -22.260 1.00 73.13 C ATOM 395 CE LYS A 27 -21.962 0.330 -22.206 1.00 10.24 C ATOM 396 NZ LYS A 27 -21.056 0.244 -21.027 1.00 64.41 N1+ ATOM 0 H LYS A 27 -25.372 5.574 -24.450 1.00 54.13 H new ATOM 0 HA LYS A 27 -25.366 3.320 -22.583 1.00 53.33 H new ATOM 0 HB2 LYS A 27 -23.987 3.178 -25.027 1.00 62.45 H new ATOM 0 HB3 LYS A 27 -22.763 3.684 -23.879 1.00 62.45 H new ATOM 0 HG2 LYS A 27 -24.580 1.356 -23.239 1.00 64.54 H new ATOM 0 HG3 LYS A 27 -23.188 1.133 -24.280 1.00 64.54 H new ATOM 0 HD2 LYS A 27 -21.971 2.476 -22.278 1.00 73.13 H new ATOM 0 HD3 LYS A 27 -23.293 1.785 -21.357 1.00 73.13 H new ATOM 0 HE2 LYS A 27 -22.687 -0.483 -22.167 1.00 10.24 H new ATOM 0 HE3 LYS A 27 -21.383 0.197 -23.120 1.00 10.24 H new ATOM 0 HZ1 LYS A 27 -20.575 -0.678 -21.026 1.00 64.41 H new ATOM 0 HZ2 LYS A 27 -20.348 1.004 -21.077 1.00 64.41 H new ATOM 0 HZ3 LYS A 27 -21.612 0.346 -20.154 1.00 64.41 H new ATOM 410 N GLN A 28 -23.988 4.682 -21.017 1.00 31.41 N ATOM 411 CA GLN A 28 -23.352 5.568 -20.050 1.00 32.43 C ATOM 412 C GLN A 28 -21.884 5.203 -19.861 1.00 23.25 C ATOM 413 O GLN A 28 -21.340 4.372 -20.590 1.00 15.22 O ATOM 414 CB GLN A 28 -24.083 5.501 -18.708 1.00 30.33 C ATOM 415 CG GLN A 28 -25.597 5.561 -18.835 1.00 44.55 C ATOM 416 CD GLN A 28 -26.241 4.190 -18.807 1.00 43.31 C ATOM 417 OE1 GLN A 28 -25.816 3.308 -18.062 1.00 32.43 O ATOM 418 NE2 GLN A 28 -27.273 4.003 -19.622 1.00 2.31 N ATOM 0 H GLN A 28 -24.334 3.807 -20.624 1.00 31.41 H new ATOM 0 HA GLN A 28 -23.408 6.586 -20.436 1.00 32.43 H new ATOM 0 HB2 GLN A 28 -23.806 4.578 -18.199 1.00 30.33 H new ATOM 0 HB3 GLN A 28 -23.747 6.325 -18.079 1.00 30.33 H new ATOM 0 HG2 GLN A 28 -26.002 6.165 -18.023 1.00 44.55 H new ATOM 0 HG3 GLN A 28 -25.860 6.062 -19.767 1.00 44.55 H new ATOM 0 HE21 GLN A 28 -27.592 4.763 -20.223 1.00 2.31 H new ATOM 0 HE22 GLN A 28 -27.746 3.100 -19.647 1.00 2.31 H new ATOM 427 N TYR A 29 -21.245 5.829 -18.878 1.00 65.14 N ATOM 428 CA TYR A 29 -19.838 5.573 -18.596 1.00 2.12 C ATOM 429 C TYR A 29 -19.679 4.368 -17.672 1.00 44.31 C ATOM 430 O TYR A 29 -20.546 4.084 -16.847 1.00 43.50 O ATOM 431 CB TYR A 29 -19.191 6.805 -17.961 1.00 33.00 C ATOM 432 CG TYR A 29 -18.415 7.655 -18.942 1.00 34.14 C ATOM 433 CD1 TYR A 29 -17.143 7.282 -19.359 1.00 74.10 C ATOM 434 CD2 TYR A 29 -18.953 8.830 -19.450 1.00 51.41 C ATOM 435 CE1 TYR A 29 -16.430 8.056 -20.255 1.00 1.02 C ATOM 436 CE2 TYR A 29 -18.247 9.609 -20.346 1.00 52.04 C ATOM 437 CZ TYR A 29 -16.987 9.218 -20.745 1.00 45.15 C ATOM 438 OH TYR A 29 -16.281 9.992 -21.637 1.00 65.13 O ATOM 0 H TYR A 29 -21.680 6.517 -18.263 1.00 65.14 H new ATOM 0 HA TYR A 29 -19.338 5.354 -19.540 1.00 2.12 H new ATOM 0 HB2 TYR A 29 -19.967 7.415 -17.499 1.00 33.00 H new ATOM 0 HB3 TYR A 29 -18.522 6.483 -17.163 1.00 33.00 H new ATOM 0 HD1 TYR A 29 -16.704 6.372 -18.977 1.00 74.10 H new ATOM 0 HD2 TYR A 29 -19.940 9.140 -19.139 1.00 51.41 H new ATOM 0 HE1 TYR A 29 -15.442 7.752 -20.569 1.00 1.02 H new ATOM 0 HE2 TYR A 29 -18.680 10.520 -20.732 1.00 52.04 H new ATOM 0 HH TYR A 29 -16.882 10.647 -22.049 1.00 65.13 H new ATOM 448 N LYS A 30 -18.562 3.663 -17.819 1.00 44.11 N ATOM 449 CA LYS A 30 -18.284 2.490 -17.000 1.00 11.43 C ATOM 450 C LYS A 30 -16.785 2.334 -16.762 1.00 53.12 C ATOM 451 O LYS A 30 -15.972 2.984 -17.419 1.00 11.24 O ATOM 452 CB LYS A 30 -18.839 1.231 -17.669 1.00 4.20 C ATOM 453 CG LYS A 30 -19.458 0.245 -16.695 1.00 12.41 C ATOM 454 CD LYS A 30 -20.003 -0.979 -17.410 1.00 74.44 C ATOM 455 CE LYS A 30 -20.269 -2.121 -16.440 1.00 13.44 C ATOM 456 NZ LYS A 30 -21.212 -3.123 -17.007 1.00 14.51 N1+ ATOM 0 H LYS A 30 -17.834 3.884 -18.499 1.00 44.11 H new ATOM 0 HA LYS A 30 -18.774 2.627 -16.036 1.00 11.43 H new ATOM 0 HB2 LYS A 30 -19.589 1.522 -18.404 1.00 4.20 H new ATOM 0 HB3 LYS A 30 -18.035 0.735 -18.213 1.00 4.20 H new ATOM 0 HG2 LYS A 30 -18.711 -0.063 -15.964 1.00 12.41 H new ATOM 0 HG3 LYS A 30 -20.262 0.733 -16.144 1.00 12.41 H new ATOM 0 HD2 LYS A 30 -20.926 -0.718 -17.928 1.00 74.44 H new ATOM 0 HD3 LYS A 30 -19.292 -1.304 -18.170 1.00 74.44 H new ATOM 0 HE2 LYS A 30 -19.328 -2.610 -16.188 1.00 13.44 H new ATOM 0 HE3 LYS A 30 -20.679 -1.721 -15.512 1.00 13.44 H new ATOM 0 HZ1 LYS A 30 -21.367 -3.884 -16.315 1.00 14.51 H new ATOM 0 HZ2 LYS A 30 -22.119 -2.662 -17.224 1.00 14.51 H new ATOM 0 HZ3 LYS A 30 -20.810 -3.524 -17.879 1.00 14.51 H new ATOM 470 N LEU A 31 -16.427 1.467 -15.822 1.00 14.15 N ATOM 471 CA LEU A 31 -15.026 1.225 -15.498 1.00 25.12 C ATOM 472 C LEU A 31 -14.230 0.880 -16.753 1.00 33.53 C ATOM 473 O LEU A 31 -13.033 1.156 -16.838 1.00 34.00 O ATOM 474 CB LEU A 31 -14.906 0.092 -14.477 1.00 32.33 C ATOM 475 CG LEU A 31 -14.894 0.512 -13.007 1.00 60.51 C ATOM 476 CD1 LEU A 31 -13.636 1.305 -12.688 1.00 70.42 C ATOM 477 CD2 LEU A 31 -16.137 1.325 -12.674 1.00 73.14 C ATOM 0 H LEU A 31 -17.088 0.920 -15.271 1.00 14.15 H new ATOM 0 HA LEU A 31 -14.615 2.138 -15.068 1.00 25.12 H new ATOM 0 HB2 LEU A 31 -15.736 -0.598 -14.630 1.00 32.33 H new ATOM 0 HB3 LEU A 31 -13.990 -0.461 -14.684 1.00 32.33 H new ATOM 0 HG LEU A 31 -14.897 -0.388 -12.392 1.00 60.51 H new ATOM 0 HD11 LEU A 31 -13.645 1.595 -11.637 1.00 70.42 H new ATOM 0 HD12 LEU A 31 -12.758 0.690 -12.887 1.00 70.42 H new ATOM 0 HD13 LEU A 31 -13.602 2.199 -13.311 1.00 70.42 H new ATOM 0 HD21 LEU A 31 -16.111 1.615 -11.624 1.00 73.14 H new ATOM 0 HD22 LEU A 31 -16.165 2.219 -13.297 1.00 73.14 H new ATOM 0 HD23 LEU A 31 -17.026 0.724 -12.863 1.00 73.14 H new ATOM 489 N LYS A 32 -14.903 0.277 -17.727 1.00 25.14 N ATOM 490 CA LYS A 32 -14.261 -0.103 -18.979 1.00 64.21 C ATOM 491 C LYS A 32 -13.521 1.082 -19.593 1.00 75.11 C ATOM 492 O LYS A 32 -12.497 0.911 -20.255 1.00 3.41 O ATOM 493 CB LYS A 32 -15.299 -0.638 -19.968 1.00 15.32 C ATOM 494 CG LYS A 32 -15.911 -1.963 -19.550 1.00 61.21 C ATOM 495 CD LYS A 32 -16.306 -2.799 -20.756 1.00 60.34 C ATOM 496 CE LYS A 32 -17.593 -3.571 -20.502 1.00 4.04 C ATOM 497 NZ LYS A 32 -17.819 -4.624 -21.530 1.00 32.02 N1+ ATOM 0 H LYS A 32 -15.894 0.041 -17.673 1.00 25.14 H new ATOM 0 HA LYS A 32 -13.537 -0.888 -18.762 1.00 64.21 H new ATOM 0 HB2 LYS A 32 -16.093 0.100 -20.082 1.00 15.32 H new ATOM 0 HB3 LYS A 32 -14.831 -0.756 -20.945 1.00 15.32 H new ATOM 0 HG2 LYS A 32 -15.199 -2.517 -18.939 1.00 61.21 H new ATOM 0 HG3 LYS A 32 -16.788 -1.780 -18.930 1.00 61.21 H new ATOM 0 HD2 LYS A 32 -16.434 -2.151 -21.623 1.00 60.34 H new ATOM 0 HD3 LYS A 32 -15.503 -3.496 -20.995 1.00 60.34 H new ATOM 0 HE2 LYS A 32 -17.552 -4.030 -19.514 1.00 4.04 H new ATOM 0 HE3 LYS A 32 -18.436 -2.880 -20.498 1.00 4.04 H new ATOM 0 HZ1 LYS A 32 -18.705 -5.127 -21.322 1.00 32.02 H new ATOM 0 HZ2 LYS A 32 -17.883 -4.183 -22.470 1.00 32.02 H new ATOM 0 HZ3 LYS A 32 -17.027 -5.298 -21.517 1.00 32.02 H new ATOM 511 N HIS A 33 -14.047 2.282 -19.369 1.00 23.32 N ATOM 512 CA HIS A 33 -13.436 3.496 -19.899 1.00 12.34 C ATOM 513 C HIS A 33 -12.305 3.974 -18.991 1.00 53.12 C ATOM 514 O HIS A 33 -11.347 4.531 -19.527 1.00 50.03 O ATOM 515 CB HIS A 33 -14.486 4.598 -20.048 1.00 23.33 C ATOM 516 CG HIS A 33 -15.714 4.158 -20.782 1.00 51.24 C ATOM 517 ND1 HIS A 33 -16.982 4.233 -20.244 1.00 3.43 N ATOM 518 CD2 HIS A 33 -15.865 3.637 -22.022 1.00 60.44 C ATOM 519 CE1 HIS A 33 -17.857 3.776 -21.120 1.00 55.35 C ATOM 520 NE2 HIS A 33 -17.207 3.408 -22.208 1.00 2.54 N ATOM 0 H HIS A 33 -14.895 2.440 -18.824 1.00 23.32 H new ATOM 0 HA HIS A 33 -13.020 3.266 -20.880 1.00 12.34 H new ATOM 0 HB2 HIS A 33 -14.772 4.953 -19.058 1.00 23.33 H new ATOM 0 HB3 HIS A 33 -14.042 5.443 -20.573 1.00 23.33 H new ATOM 0 HD2 HIS A 33 -15.077 3.438 -22.733 1.00 60.44 H new ATOM 0 HE1 HIS A 33 -18.925 3.714 -20.972 1.00 55.35 H new ATOM 0 HE2 HIS A 33 -17.631 3.017 -23.049 1.00 2.54 H new ATOM 528 N ILE A 34 -12.388 3.780 -17.680 1.00 15.03 N ATOM 529 CA ILE A 34 -11.333 4.218 -16.775 1.00 14.54 C ATOM 530 C ILE A 34 -10.086 3.354 -16.923 1.00 70.40 C ATOM 531 O ILE A 34 -8.962 3.847 -16.844 1.00 21.10 O ATOM 532 CB ILE A 34 -11.798 4.180 -15.306 1.00 71.31 C ATOM 533 CG1 ILE A 34 -13.139 4.902 -15.154 1.00 31.13 C ATOM 534 CG2 ILE A 34 -10.747 4.805 -14.402 1.00 34.14 C ATOM 535 CD1 ILE A 34 -13.702 4.840 -13.751 1.00 72.24 C ATOM 0 H ILE A 34 -13.175 3.322 -17.220 1.00 15.03 H new ATOM 0 HA ILE A 34 -11.094 5.246 -17.046 1.00 14.54 H new ATOM 0 HB ILE A 34 -11.932 3.140 -15.009 1.00 71.31 H new ATOM 0 HG12 ILE A 34 -13.015 5.946 -15.441 1.00 31.13 H new ATOM 0 HG13 ILE A 34 -13.859 4.464 -15.846 1.00 31.13 H new ATOM 0 HG21 ILE A 34 -11.090 4.771 -13.368 1.00 34.14 H new ATOM 0 HG22 ILE A 34 -9.813 4.251 -14.493 1.00 34.14 H new ATOM 0 HG23 ILE A 34 -10.584 5.842 -14.696 1.00 34.14 H new ATOM 0 HD11 ILE A 34 -14.653 5.372 -13.717 1.00 72.24 H new ATOM 0 HD12 ILE A 34 -13.858 3.799 -13.467 1.00 72.24 H new ATOM 0 HD13 ILE A 34 -13.001 5.304 -13.057 1.00 72.24 H new ATOM 547 N VAL A 35 -10.293 2.058 -17.143 1.00 14.23 N ATOM 548 CA VAL A 35 -9.186 1.124 -17.307 1.00 11.45 C ATOM 549 C VAL A 35 -8.564 1.247 -18.693 1.00 31.13 C ATOM 550 O VAL A 35 -7.342 1.221 -18.840 1.00 43.44 O ATOM 551 CB VAL A 35 -9.643 -0.331 -17.087 1.00 44.15 C ATOM 552 CG1 VAL A 35 -8.481 -1.292 -17.291 1.00 41.52 C ATOM 553 CG2 VAL A 35 -10.246 -0.496 -15.701 1.00 25.21 C ATOM 0 H VAL A 35 -11.217 1.632 -17.212 1.00 14.23 H new ATOM 0 HA VAL A 35 -8.440 1.380 -16.554 1.00 11.45 H new ATOM 0 HB VAL A 35 -10.412 -0.568 -17.822 1.00 44.15 H new ATOM 0 HG11 VAL A 35 -8.822 -2.315 -17.132 1.00 41.52 H new ATOM 0 HG12 VAL A 35 -8.099 -1.191 -18.307 1.00 41.52 H new ATOM 0 HG13 VAL A 35 -7.688 -1.059 -16.581 1.00 41.52 H new ATOM 0 HG21 VAL A 35 -10.563 -1.530 -15.563 1.00 25.21 H new ATOM 0 HG22 VAL A 35 -9.501 -0.241 -14.947 1.00 25.21 H new ATOM 0 HG23 VAL A 35 -11.107 0.165 -15.598 1.00 25.21 H new ATOM 563 N TRP A 36 -9.412 1.382 -19.706 1.00 34.54 N ATOM 564 CA TRP A 36 -8.946 1.509 -21.082 1.00 21.24 C ATOM 565 C TRP A 36 -7.983 2.682 -21.223 1.00 3.11 C ATOM 566 O TRP A 36 -6.893 2.540 -21.777 1.00 53.04 O ATOM 567 CB TRP A 36 -10.132 1.689 -22.030 1.00 33.11 C ATOM 568 CG TRP A 36 -9.724 1.915 -23.454 1.00 70.04 C ATOM 569 CD1 TRP A 36 -9.401 0.959 -24.376 1.00 53.44 C ATOM 570 CD2 TRP A 36 -9.595 3.176 -24.119 1.00 54.33 C ATOM 571 NE1 TRP A 36 -9.079 1.551 -25.573 1.00 51.20 N ATOM 572 CE2 TRP A 36 -9.192 2.911 -25.442 1.00 22.32 C ATOM 573 CE3 TRP A 36 -9.785 4.504 -23.726 1.00 45.12 C ATOM 574 CZ2 TRP A 36 -8.972 3.924 -26.371 1.00 52.30 C ATOM 575 CZ3 TRP A 36 -9.566 5.509 -24.650 1.00 54.42 C ATOM 576 CH2 TRP A 36 -9.164 5.215 -25.959 1.00 63.14 C ATOM 0 H TRP A 36 -10.426 1.406 -19.600 1.00 34.54 H new ATOM 0 HA TRP A 36 -8.416 0.594 -21.346 1.00 21.24 H new ATOM 0 HB2 TRP A 36 -10.768 0.805 -21.977 1.00 33.11 H new ATOM 0 HB3 TRP A 36 -10.733 2.534 -21.693 1.00 33.11 H new ATOM 0 HD1 TRP A 36 -9.399 -0.105 -24.191 1.00 53.44 H new ATOM 0 HE1 TRP A 36 -8.801 1.058 -26.422 1.00 51.20 H new ATOM 0 HE3 TRP A 36 -10.097 4.741 -22.719 1.00 45.12 H new ATOM 0 HZ2 TRP A 36 -8.661 3.699 -27.381 1.00 52.30 H new ATOM 0 HZ3 TRP A 36 -9.707 6.539 -24.357 1.00 54.42 H new ATOM 0 HH2 TRP A 36 -9.002 6.023 -26.657 1.00 63.14 H new ATOM 587 N ALA A 37 -8.392 3.842 -20.718 1.00 23.22 N ATOM 588 CA ALA A 37 -7.563 5.039 -20.787 1.00 14.13 C ATOM 589 C ALA A 37 -6.286 4.871 -19.971 1.00 30.44 C ATOM 590 O ALA A 37 -5.257 5.472 -20.280 1.00 74.41 O ATOM 591 CB ALA A 37 -8.346 6.251 -20.301 1.00 75.54 C ATOM 0 H ALA A 37 -9.292 3.978 -20.257 1.00 23.22 H new ATOM 0 HA ALA A 37 -7.280 5.195 -21.828 1.00 14.13 H new ATOM 0 HB1 ALA A 37 -7.715 7.138 -20.358 1.00 75.54 H new ATOM 0 HB2 ALA A 37 -9.226 6.391 -20.928 1.00 75.54 H new ATOM 0 HB3 ALA A 37 -8.658 6.093 -19.269 1.00 75.54 H new ATOM 597 N SER A 38 -6.359 4.051 -18.928 1.00 14.13 N ATOM 598 CA SER A 38 -5.210 3.807 -18.064 1.00 60.14 C ATOM 599 C SER A 38 -4.088 3.118 -18.834 1.00 62.55 C ATOM 600 O SER A 38 -2.920 3.483 -18.712 1.00 2.50 O ATOM 601 CB SER A 38 -5.619 2.953 -16.863 1.00 70.23 C ATOM 602 OG SER A 38 -5.514 3.687 -15.655 1.00 61.00 O ATOM 0 H SER A 38 -7.203 3.544 -18.660 1.00 14.13 H new ATOM 0 HA SER A 38 -4.845 4.770 -17.707 1.00 60.14 H new ATOM 0 HB2 SER A 38 -6.644 2.605 -16.993 1.00 70.23 H new ATOM 0 HB3 SER A 38 -4.986 2.067 -16.810 1.00 70.23 H new ATOM 0 HG SER A 38 -5.783 3.119 -14.903 1.00 61.00 H new ATOM 608 N ARG A 39 -4.453 2.118 -19.630 1.00 72.13 N ATOM 609 CA ARG A 39 -3.480 1.375 -20.420 1.00 45.24 C ATOM 610 C ARG A 39 -2.887 2.254 -21.518 1.00 64.53 C ATOM 611 O ARG A 39 -1.682 2.223 -21.768 1.00 71.00 O ATOM 612 CB ARG A 39 -4.131 0.137 -21.039 1.00 24.51 C ATOM 613 CG ARG A 39 -4.032 -1.104 -20.167 1.00 50.40 C ATOM 614 CD ARG A 39 -2.603 -1.617 -20.087 1.00 62.54 C ATOM 615 NE ARG A 39 -2.265 -2.471 -21.223 1.00 30.35 N ATOM 616 CZ ARG A 39 -1.112 -3.120 -21.336 1.00 24.34 C ATOM 617 NH1 ARG A 39 -0.191 -3.014 -20.387 1.00 51.14 N1+ ATOM 618 NH2 ARG A 39 -0.877 -3.879 -22.399 1.00 43.43 N ATOM 0 H ARG A 39 -5.417 1.804 -19.744 1.00 72.13 H new ATOM 0 HA ARG A 39 -2.675 1.059 -19.756 1.00 45.24 H new ATOM 0 HB2 ARG A 39 -5.182 0.350 -21.236 1.00 24.51 H new ATOM 0 HB3 ARG A 39 -3.662 -0.067 -22.001 1.00 24.51 H new ATOM 0 HG2 ARG A 39 -4.394 -0.875 -19.165 1.00 50.40 H new ATOM 0 HG3 ARG A 39 -4.678 -1.885 -20.569 1.00 50.40 H new ATOM 0 HD2 ARG A 39 -1.916 -0.772 -20.051 1.00 62.54 H new ATOM 0 HD3 ARG A 39 -2.469 -2.176 -19.161 1.00 62.54 H new ATOM 0 HE ARG A 39 -2.952 -2.574 -21.970 1.00 30.35 H new ATOM 0 HH11 ARG A 39 -0.368 -2.433 -19.568 1.00 51.14 H new ATOM 0 HH12 ARG A 39 0.694 -3.514 -20.477 1.00 51.14 H new ATOM 0 HH21 ARG A 39 -1.583 -3.964 -23.131 1.00 43.43 H new ATOM 0 HH22 ARG A 39 0.009 -4.377 -22.484 1.00 43.43 H new ATOM 632 N GLU A 40 -3.743 3.034 -22.170 1.00 4.31 N ATOM 633 CA GLU A 40 -3.302 3.920 -23.242 1.00 53.21 C ATOM 634 C GLU A 40 -2.449 5.059 -22.691 1.00 24.23 C ATOM 635 O GLU A 40 -1.605 5.615 -23.396 1.00 12.14 O ATOM 636 CB GLU A 40 -4.509 4.490 -23.991 1.00 30.11 C ATOM 637 CG GLU A 40 -4.255 4.716 -25.472 1.00 12.41 C ATOM 638 CD GLU A 40 -4.463 3.463 -26.298 1.00 64.34 C ATOM 639 OE1 GLU A 40 -5.629 3.053 -26.473 1.00 53.45 O1- ATOM 640 OE2 GLU A 40 -3.458 2.891 -26.772 1.00 13.43 O ATOM 0 H GLU A 40 -4.744 3.071 -21.976 1.00 4.31 H new ATOM 0 HA GLU A 40 -2.695 3.336 -23.934 1.00 53.21 H new ATOM 0 HB2 GLU A 40 -5.352 3.809 -23.875 1.00 30.11 H new ATOM 0 HB3 GLU A 40 -4.797 5.436 -23.532 1.00 30.11 H new ATOM 0 HG2 GLU A 40 -4.919 5.500 -25.835 1.00 12.41 H new ATOM 0 HG3 GLU A 40 -3.235 5.073 -25.611 1.00 12.41 H new ATOM 647 N LEU A 41 -2.674 5.401 -21.428 1.00 33.11 N ATOM 648 CA LEU A 41 -1.927 6.474 -20.780 1.00 64.31 C ATOM 649 C LEU A 41 -0.463 6.085 -20.599 1.00 2.41 C ATOM 650 O LEU A 41 0.438 6.792 -21.052 1.00 73.55 O ATOM 651 CB LEU A 41 -2.548 6.809 -19.424 1.00 74.13 C ATOM 652 CG LEU A 41 -3.539 7.974 -19.409 1.00 71.11 C ATOM 653 CD1 LEU A 41 -4.120 8.164 -18.017 1.00 15.25 C ATOM 654 CD2 LEU A 41 -2.867 9.252 -19.888 1.00 42.41 C ATOM 0 H LEU A 41 -3.368 4.951 -20.831 1.00 33.11 H new ATOM 0 HA LEU A 41 -1.974 7.354 -21.421 1.00 64.31 H new ATOM 0 HB2 LEU A 41 -3.057 5.920 -19.050 1.00 74.13 H new ATOM 0 HB3 LEU A 41 -1.743 7.034 -18.724 1.00 74.13 H new ATOM 0 HG LEU A 41 -4.356 7.739 -20.091 1.00 71.11 H new ATOM 0 HD11 LEU A 41 -4.823 8.997 -18.027 1.00 15.25 H new ATOM 0 HD12 LEU A 41 -4.639 7.255 -17.712 1.00 15.25 H new ATOM 0 HD13 LEU A 41 -3.315 8.376 -17.313 1.00 15.25 H new ATOM 0 HD21 LEU A 41 -3.587 10.070 -19.871 1.00 42.41 H new ATOM 0 HD22 LEU A 41 -2.030 9.491 -19.232 1.00 42.41 H new ATOM 0 HD23 LEU A 41 -2.502 9.112 -20.905 1.00 42.41 H new ATOM 666 N GLU A 42 -0.233 4.956 -19.936 1.00 20.03 N ATOM 667 CA GLU A 42 1.122 4.474 -19.697 1.00 11.12 C ATOM 668 C GLU A 42 1.896 4.355 -21.006 1.00 51.20 C ATOM 669 O GLU A 42 3.123 4.455 -21.026 1.00 11.24 O ATOM 670 CB GLU A 42 1.087 3.118 -18.988 1.00 72.10 C ATOM 671 CG GLU A 42 1.815 3.109 -17.654 1.00 65.22 C ATOM 672 CD GLU A 42 1.454 1.910 -16.800 1.00 61.12 C ATOM 673 OE1 GLU A 42 0.443 1.983 -16.071 1.00 32.41 O1- ATOM 674 OE2 GLU A 42 2.183 0.897 -16.861 1.00 61.25 O ATOM 0 H GLU A 42 -0.967 4.359 -19.555 1.00 20.03 H new ATOM 0 HA GLU A 42 1.630 5.197 -19.059 1.00 11.12 H new ATOM 0 HB2 GLU A 42 0.049 2.828 -18.827 1.00 72.10 H new ATOM 0 HB3 GLU A 42 1.531 2.365 -19.640 1.00 72.10 H new ATOM 0 HG2 GLU A 42 2.890 3.113 -17.831 1.00 65.22 H new ATOM 0 HG3 GLU A 42 1.578 4.023 -17.109 1.00 65.22 H new ATOM 681 N ARG A 43 1.170 4.140 -22.098 1.00 61.23 N ATOM 682 CA ARG A 43 1.788 4.006 -23.412 1.00 31.34 C ATOM 683 C ARG A 43 2.401 5.329 -23.862 1.00 62.24 C ATOM 684 O ARG A 43 3.378 5.348 -24.611 1.00 45.25 O ATOM 685 CB ARG A 43 0.756 3.534 -24.439 1.00 11.13 C ATOM 686 CG ARG A 43 1.346 2.669 -25.541 1.00 31.42 C ATOM 687 CD ARG A 43 0.517 2.747 -26.814 1.00 4.52 C ATOM 688 NE ARG A 43 0.205 1.424 -27.346 1.00 75.01 N ATOM 689 CZ ARG A 43 -0.574 1.223 -28.403 1.00 51.34 C ATOM 690 NH1 ARG A 43 -1.117 2.253 -29.038 1.00 2.14 N1+ ATOM 691 NH2 ARG A 43 -0.813 -0.011 -28.827 1.00 43.01 N ATOM 0 H ARG A 43 0.154 4.055 -22.099 1.00 61.23 H new ATOM 0 HA ARG A 43 2.583 3.264 -23.338 1.00 31.34 H new ATOM 0 HB2 ARG A 43 -0.024 2.972 -23.926 1.00 11.13 H new ATOM 0 HB3 ARG A 43 0.278 4.405 -24.888 1.00 11.13 H new ATOM 0 HG2 ARG A 43 2.367 2.990 -25.750 1.00 31.42 H new ATOM 0 HG3 ARG A 43 1.400 1.634 -25.203 1.00 31.42 H new ATOM 0 HD2 ARG A 43 -0.410 3.284 -26.611 1.00 4.52 H new ATOM 0 HD3 ARG A 43 1.060 3.321 -27.565 1.00 4.52 H new ATOM 0 HE ARG A 43 0.607 0.610 -26.881 1.00 75.01 H new ATOM 0 HH11 ARG A 43 -0.937 3.204 -28.715 1.00 2.14 H new ATOM 0 HH12 ARG A 43 -1.715 2.094 -29.849 1.00 2.14 H new ATOM 0 HH21 ARG A 43 -0.398 -0.806 -28.341 1.00 43.01 H new ATOM 0 HH22 ARG A 43 -1.411 -0.164 -29.639 1.00 43.01 H new ATOM 705 N PHE A 44 1.821 6.431 -23.402 1.00 14.14 N ATOM 706 CA PHE A 44 2.308 7.758 -23.758 1.00 5.44 C ATOM 707 C PHE A 44 3.247 8.300 -22.682 1.00 71.21 C ATOM 708 O PHE A 44 3.362 9.511 -22.497 1.00 12.11 O ATOM 709 CB PHE A 44 1.135 8.720 -23.958 1.00 21.34 C ATOM 710 CG PHE A 44 0.314 8.417 -25.180 1.00 4.44 C ATOM 711 CD1 PHE A 44 0.888 8.450 -26.441 1.00 15.25 C ATOM 712 CD2 PHE A 44 -1.029 8.102 -25.066 1.00 42.14 C ATOM 713 CE1 PHE A 44 0.137 8.172 -27.567 1.00 74.11 C ATOM 714 CE2 PHE A 44 -1.786 7.824 -26.189 1.00 41.11 C ATOM 715 CZ PHE A 44 -1.203 7.859 -27.441 1.00 1.42 C ATOM 0 H PHE A 44 1.012 6.432 -22.781 1.00 14.14 H new ATOM 0 HA PHE A 44 2.863 7.674 -24.692 1.00 5.44 H new ATOM 0 HB2 PHE A 44 0.491 8.683 -23.079 1.00 21.34 H new ATOM 0 HB3 PHE A 44 1.518 9.738 -24.030 1.00 21.34 H new ATOM 0 HD1 PHE A 44 1.935 8.696 -26.545 1.00 15.25 H new ATOM 0 HD2 PHE A 44 -1.490 8.073 -24.090 1.00 42.14 H new ATOM 0 HE1 PHE A 44 0.597 8.199 -28.544 1.00 74.11 H new ATOM 0 HE2 PHE A 44 -2.833 7.579 -26.088 1.00 41.11 H new ATOM 0 HZ PHE A 44 -1.793 7.642 -28.319 1.00 1.42 H new ATOM 725 N ALA A 45 3.913 7.393 -21.977 1.00 11.25 N ATOM 726 CA ALA A 45 4.842 7.779 -20.921 1.00 73.30 C ATOM 727 C ALA A 45 4.116 8.487 -19.783 1.00 31.14 C ATOM 728 O ALA A 45 4.724 9.227 -19.009 1.00 4.22 O ATOM 729 CB ALA A 45 5.941 8.668 -21.483 1.00 62.04 C ATOM 0 H ALA A 45 3.827 6.386 -22.117 1.00 11.25 H new ATOM 0 HA ALA A 45 5.294 6.872 -20.520 1.00 73.30 H new ATOM 0 HB1 ALA A 45 6.627 8.948 -20.683 1.00 62.04 H new ATOM 0 HB2 ALA A 45 6.487 8.127 -22.256 1.00 62.04 H new ATOM 0 HB3 ALA A 45 5.498 9.567 -21.913 1.00 62.04 H new ATOM 735 N VAL A 46 2.810 8.256 -19.685 1.00 65.23 N ATOM 736 CA VAL A 46 2.001 8.872 -18.640 1.00 60.15 C ATOM 737 C VAL A 46 1.382 7.817 -17.731 1.00 22.31 C ATOM 738 O VAL A 46 0.552 7.019 -18.163 1.00 52.22 O ATOM 739 CB VAL A 46 0.877 9.740 -19.239 1.00 23.24 C ATOM 740 CG1 VAL A 46 0.021 10.340 -18.135 1.00 63.10 C ATOM 741 CG2 VAL A 46 1.462 10.830 -20.125 1.00 14.34 C ATOM 0 H VAL A 46 2.290 7.647 -20.317 1.00 65.23 H new ATOM 0 HA VAL A 46 2.668 9.506 -18.055 1.00 60.15 H new ATOM 0 HB VAL A 46 0.240 9.106 -19.855 1.00 23.24 H new ATOM 0 HG11 VAL A 46 -0.767 10.950 -18.577 1.00 63.10 H new ATOM 0 HG12 VAL A 46 -0.426 9.540 -17.546 1.00 63.10 H new ATOM 0 HG13 VAL A 46 0.642 10.962 -17.490 1.00 63.10 H new ATOM 0 HG21 VAL A 46 0.655 11.434 -20.540 1.00 14.34 H new ATOM 0 HG22 VAL A 46 2.122 11.464 -19.534 1.00 14.34 H new ATOM 0 HG23 VAL A 46 2.028 10.374 -20.937 1.00 14.34 H new ATOM 751 N ASN A 47 1.793 7.819 -16.467 1.00 52.10 N ATOM 752 CA ASN A 47 1.280 6.861 -15.494 1.00 53.43 C ATOM 753 C ASN A 47 -0.221 7.047 -15.288 1.00 3.23 C ATOM 754 O ASN A 47 -0.743 8.162 -15.322 1.00 13.01 O ATOM 755 CB ASN A 47 2.012 7.015 -14.160 1.00 21.12 C ATOM 756 CG ASN A 47 2.580 5.701 -13.657 1.00 52.34 C ATOM 757 OD1 ASN A 47 2.241 5.243 -12.566 1.00 5.01 O ATOM 758 ND2 ASN A 47 3.447 5.087 -14.455 1.00 41.42 N ATOM 0 H ASN A 47 2.480 8.473 -16.092 1.00 52.10 H new ATOM 0 HA ASN A 47 1.455 5.858 -15.882 1.00 53.43 H new ATOM 0 HB2 ASN A 47 2.820 7.737 -14.273 1.00 21.12 H new ATOM 0 HB3 ASN A 47 1.325 7.419 -13.416 1.00 21.12 H new ATOM 0 HD21 ASN A 47 3.861 4.199 -14.171 1.00 41.42 H new ATOM 0 HD22 ASN A 47 3.699 5.504 -15.351 1.00 41.42 H new ATOM 765 N PRO A 48 -0.931 5.931 -15.068 1.00 53.41 N ATOM 766 CA PRO A 48 -2.380 5.945 -14.850 1.00 52.41 C ATOM 767 C PRO A 48 -2.760 6.568 -13.510 1.00 23.30 C ATOM 768 O PRO A 48 -3.926 6.874 -13.265 1.00 12.35 O ATOM 769 CB PRO A 48 -2.758 4.461 -14.876 1.00 2.41 C ATOM 770 CG PRO A 48 -1.512 3.748 -14.477 1.00 61.53 C ATOM 771 CD PRO A 48 -0.373 4.569 -15.014 1.00 12.22 C ATOM 0 HA PRO A 48 -2.898 6.544 -15.599 1.00 52.41 H new ATOM 0 HB2 PRO A 48 -3.575 4.248 -14.186 1.00 2.41 H new ATOM 0 HB3 PRO A 48 -3.090 4.154 -15.868 1.00 2.41 H new ATOM 0 HG2 PRO A 48 -1.447 3.653 -13.393 1.00 61.53 H new ATOM 0 HG3 PRO A 48 -1.492 2.738 -14.887 1.00 61.53 H new ATOM 0 HD2 PRO A 48 0.501 4.518 -14.364 1.00 12.22 H new ATOM 0 HD3 PRO A 48 -0.058 4.224 -15.999 1.00 12.22 H new ATOM 779 N GLY A 49 -1.766 6.752 -12.646 1.00 45.34 N ATOM 780 CA GLY A 49 -2.016 7.338 -11.342 1.00 63.41 C ATOM 781 C GLY A 49 -2.475 8.780 -11.432 1.00 72.51 C ATOM 782 O GLY A 49 -3.006 9.331 -10.467 1.00 40.21 O ATOM 0 H GLY A 49 -0.793 6.506 -12.826 1.00 45.34 H new ATOM 0 HA2 GLY A 49 -2.773 6.751 -10.822 1.00 63.41 H new ATOM 0 HA3 GLY A 49 -1.106 7.286 -10.744 1.00 63.41 H new ATOM 786 N LEU A 50 -2.270 9.392 -12.593 1.00 72.11 N ATOM 787 CA LEU A 50 -2.665 10.780 -12.805 1.00 74.03 C ATOM 788 C LEU A 50 -4.178 10.897 -12.969 1.00 34.22 C ATOM 789 O LEU A 50 -4.759 11.956 -12.731 1.00 1.24 O ATOM 790 CB LEU A 50 -1.963 11.349 -14.040 1.00 35.41 C ATOM 791 CG LEU A 50 -0.442 11.196 -14.075 1.00 63.22 C ATOM 792 CD1 LEU A 50 0.131 11.856 -15.320 1.00 3.05 C ATOM 793 CD2 LEU A 50 0.183 11.787 -12.820 1.00 1.33 C ATOM 0 H LEU A 50 -1.833 8.949 -13.401 1.00 72.11 H new ATOM 0 HA LEU A 50 -2.366 11.354 -11.928 1.00 74.03 H new ATOM 0 HB2 LEU A 50 -2.378 10.865 -14.924 1.00 35.41 H new ATOM 0 HB3 LEU A 50 -2.204 12.410 -14.114 1.00 35.41 H new ATOM 0 HG LEU A 50 -0.203 10.133 -14.109 1.00 63.22 H new ATOM 0 HD11 LEU A 50 1.215 11.738 -15.329 1.00 3.05 H new ATOM 0 HD12 LEU A 50 -0.292 11.387 -16.208 1.00 3.05 H new ATOM 0 HD13 LEU A 50 -0.118 12.917 -15.317 1.00 3.05 H new ATOM 0 HD21 LEU A 50 1.266 11.669 -12.863 1.00 1.33 H new ATOM 0 HD22 LEU A 50 -0.064 12.847 -12.755 1.00 1.33 H new ATOM 0 HD23 LEU A 50 -0.204 11.269 -11.942 1.00 1.33 H new ATOM 805 N LEU A 51 -4.810 9.801 -13.374 1.00 35.33 N ATOM 806 CA LEU A 51 -6.256 9.779 -13.566 1.00 60.10 C ATOM 807 C LEU A 51 -6.985 10.016 -12.247 1.00 44.34 C ATOM 808 O LEU A 51 -8.126 10.475 -12.233 1.00 13.12 O ATOM 809 CB LEU A 51 -6.690 8.440 -14.168 1.00 2.42 C ATOM 810 CG LEU A 51 -6.421 8.258 -15.661 1.00 45.33 C ATOM 811 CD1 LEU A 51 -6.177 6.792 -15.985 1.00 22.21 C ATOM 812 CD2 LEU A 51 -7.581 8.801 -16.483 1.00 54.01 C ATOM 0 H LEU A 51 -4.344 8.916 -13.576 1.00 35.33 H new ATOM 0 HA LEU A 51 -6.518 10.583 -14.254 1.00 60.10 H new ATOM 0 HB2 LEU A 51 -6.184 7.640 -13.628 1.00 2.42 H new ATOM 0 HB3 LEU A 51 -7.759 8.315 -13.994 1.00 2.42 H new ATOM 0 HG LEU A 51 -5.524 8.821 -15.919 1.00 45.33 H new ATOM 0 HD11 LEU A 51 -5.987 6.682 -17.053 1.00 22.21 H new ATOM 0 HD12 LEU A 51 -5.313 6.434 -15.424 1.00 22.21 H new ATOM 0 HD13 LEU A 51 -7.055 6.208 -15.711 1.00 22.21 H new ATOM 0 HD21 LEU A 51 -7.371 8.663 -17.544 1.00 54.01 H new ATOM 0 HD22 LEU A 51 -8.494 8.267 -16.221 1.00 54.01 H new ATOM 0 HD23 LEU A 51 -7.709 9.863 -16.274 1.00 54.01 H new ATOM 824 N GLU A 52 -6.315 9.703 -11.143 1.00 12.30 N ATOM 825 CA GLU A 52 -6.900 9.884 -9.819 1.00 11.21 C ATOM 826 C GLU A 52 -6.382 11.163 -9.166 1.00 34.53 C ATOM 827 O GLU A 52 -6.359 11.283 -7.940 1.00 31.00 O ATOM 828 CB GLU A 52 -6.585 8.680 -8.928 1.00 73.25 C ATOM 829 CG GLU A 52 -5.103 8.504 -8.646 1.00 24.11 C ATOM 830 CD GLU A 52 -4.829 8.058 -7.222 1.00 55.25 C ATOM 831 OE1 GLU A 52 -5.145 8.826 -6.290 1.00 35.41 O1- ATOM 832 OE2 GLU A 52 -4.300 6.942 -7.042 1.00 22.21 O ATOM 0 H GLU A 52 -5.368 9.323 -11.138 1.00 12.30 H new ATOM 0 HA GLU A 52 -7.981 9.967 -9.936 1.00 11.21 H new ATOM 0 HB2 GLU A 52 -7.116 8.790 -7.982 1.00 73.25 H new ATOM 0 HB3 GLU A 52 -6.966 7.776 -9.404 1.00 73.25 H new ATOM 0 HG2 GLU A 52 -4.690 7.771 -9.338 1.00 24.11 H new ATOM 0 HG3 GLU A 52 -4.587 9.446 -8.834 1.00 24.11 H new ATOM 839 N THR A 53 -5.967 12.117 -9.993 1.00 50.13 N ATOM 840 CA THR A 53 -5.449 13.385 -9.498 1.00 12.21 C ATOM 841 C THR A 53 -6.032 14.560 -10.276 1.00 63.35 C ATOM 842 O THR A 53 -5.911 14.628 -11.499 1.00 75.51 O ATOM 843 CB THR A 53 -3.912 13.438 -9.588 1.00 64.11 C ATOM 844 OG1 THR A 53 -3.506 13.602 -10.952 1.00 75.15 O ATOM 845 CG2 THR A 53 -3.293 12.170 -9.019 1.00 42.33 C ATOM 0 H THR A 53 -5.980 12.035 -11.010 1.00 50.13 H new ATOM 0 HA THR A 53 -5.748 13.461 -8.453 1.00 12.21 H new ATOM 0 HB THR A 53 -3.565 14.289 -9.001 1.00 64.11 H new ATOM 0 HG1 THR A 53 -4.002 12.975 -11.519 1.00 75.15 H new ATOM 0 HG21 THR A 53 -2.207 12.230 -9.093 1.00 42.33 H new ATOM 0 HG22 THR A 53 -3.580 12.063 -7.973 1.00 42.33 H new ATOM 0 HG23 THR A 53 -3.648 11.307 -9.583 1.00 42.33 H new ATOM 853 N SER A 54 -6.665 15.482 -9.560 1.00 10.45 N ATOM 854 CA SER A 54 -7.271 16.653 -10.183 1.00 3.21 C ATOM 855 C SER A 54 -6.231 17.450 -10.966 1.00 3.12 C ATOM 856 O SER A 54 -6.568 18.195 -11.886 1.00 74.22 O ATOM 857 CB SER A 54 -7.920 17.544 -9.123 1.00 54.23 C ATOM 858 OG SER A 54 -7.127 18.689 -8.864 1.00 2.55 O ATOM 0 H SER A 54 -6.772 15.441 -8.546 1.00 10.45 H new ATOM 0 HA SER A 54 -8.038 16.309 -10.876 1.00 3.21 H new ATOM 0 HB2 SER A 54 -8.910 17.852 -9.459 1.00 54.23 H new ATOM 0 HB3 SER A 54 -8.058 16.977 -8.202 1.00 54.23 H new ATOM 0 HG SER A 54 -7.565 19.243 -8.184 1.00 2.55 H new ATOM 864 N GLU A 55 -4.965 17.287 -10.593 1.00 53.42 N ATOM 865 CA GLU A 55 -3.877 17.991 -11.259 1.00 11.32 C ATOM 866 C GLU A 55 -3.433 17.244 -12.514 1.00 3.43 C ATOM 867 O GLU A 55 -3.278 17.837 -13.580 1.00 71.10 O ATOM 868 CB GLU A 55 -2.692 18.162 -10.307 1.00 22.12 C ATOM 869 CG GLU A 55 -2.408 19.609 -9.940 1.00 21.20 C ATOM 870 CD GLU A 55 -0.927 19.934 -9.951 1.00 65.54 C ATOM 871 OE1 GLU A 55 -0.258 19.692 -8.925 1.00 20.40 O1- ATOM 872 OE2 GLU A 55 -0.437 20.431 -10.987 1.00 65.14 O ATOM 0 H GLU A 55 -4.669 16.674 -9.834 1.00 53.42 H new ATOM 0 HA GLU A 55 -4.242 18.975 -11.553 1.00 11.32 H new ATOM 0 HB2 GLU A 55 -2.885 17.596 -9.396 1.00 22.12 H new ATOM 0 HB3 GLU A 55 -1.802 17.732 -10.767 1.00 22.12 H new ATOM 0 HG2 GLU A 55 -2.925 20.266 -10.640 1.00 21.20 H new ATOM 0 HG3 GLU A 55 -2.814 19.815 -8.950 1.00 21.20 H new ATOM 879 N GLY A 56 -3.226 15.938 -12.376 1.00 31.11 N ATOM 880 CA GLY A 56 -2.801 15.131 -13.504 1.00 14.10 C ATOM 881 C GLY A 56 -3.725 15.270 -14.697 1.00 62.44 C ATOM 882 O GLY A 56 -3.270 15.490 -15.821 1.00 55.52 O ATOM 0 H GLY A 56 -3.345 15.425 -11.503 1.00 31.11 H new ATOM 0 HA2 GLY A 56 -1.791 15.421 -13.795 1.00 14.10 H new ATOM 0 HA3 GLY A 56 -2.757 14.085 -13.202 1.00 14.10 H new ATOM 886 N CYS A 57 -5.024 15.140 -14.455 1.00 72.23 N ATOM 887 CA CYS A 57 -6.015 15.250 -15.520 1.00 71.45 C ATOM 888 C CYS A 57 -5.819 16.537 -16.314 1.00 75.04 C ATOM 889 O CYS A 57 -5.858 16.532 -17.544 1.00 53.24 O ATOM 890 CB CYS A 57 -7.429 15.205 -14.937 1.00 22.32 C ATOM 891 SG CYS A 57 -8.381 13.747 -15.422 1.00 35.43 S ATOM 0 H CYS A 57 -5.416 14.958 -13.531 1.00 72.23 H new ATOM 0 HA CYS A 57 -5.882 14.405 -16.195 1.00 71.45 H new ATOM 0 HB2 CYS A 57 -7.363 15.238 -13.849 1.00 22.32 H new ATOM 0 HB3 CYS A 57 -7.968 16.099 -15.251 1.00 22.32 H new ATOM 0 HG CYS A 57 -9.172 14.053 -16.407 1.00 35.43 H new ATOM 897 N ARG A 58 -5.612 17.639 -15.601 1.00 43.33 N ATOM 898 CA ARG A 58 -5.414 18.935 -16.238 1.00 44.34 C ATOM 899 C ARG A 58 -4.209 18.903 -17.175 1.00 33.33 C ATOM 900 O ARG A 58 -4.219 19.525 -18.236 1.00 72.30 O ATOM 901 CB ARG A 58 -5.221 20.024 -15.181 1.00 11.11 C ATOM 902 CG ARG A 58 -6.147 21.217 -15.359 1.00 12.11 C ATOM 903 CD ARG A 58 -5.878 22.291 -14.317 1.00 50.14 C ATOM 904 NE ARG A 58 -4.669 23.053 -14.615 1.00 72.14 N ATOM 905 CZ ARG A 58 -4.275 24.111 -13.914 1.00 51.05 C ATOM 906 NH1 ARG A 58 -4.992 24.529 -12.881 1.00 14.43 N1+ ATOM 907 NH2 ARG A 58 -3.162 24.752 -14.248 1.00 74.10 N ATOM 0 H ARG A 58 -5.577 17.660 -14.582 1.00 43.33 H new ATOM 0 HA ARG A 58 -6.304 19.161 -16.825 1.00 44.34 H new ATOM 0 HB2 ARG A 58 -5.384 19.593 -14.193 1.00 11.11 H new ATOM 0 HB3 ARG A 58 -4.188 20.369 -15.212 1.00 11.11 H new ATOM 0 HG2 ARG A 58 -6.015 21.635 -16.357 1.00 12.11 H new ATOM 0 HG3 ARG A 58 -7.184 20.889 -15.285 1.00 12.11 H new ATOM 0 HD2 ARG A 58 -6.730 22.969 -14.267 1.00 50.14 H new ATOM 0 HD3 ARG A 58 -5.781 21.827 -13.335 1.00 50.14 H new ATOM 0 HE ARG A 58 -4.095 22.757 -15.405 1.00 72.14 H new ATOM 0 HH11 ARG A 58 -5.848 24.038 -12.623 1.00 14.43 H new ATOM 0 HH12 ARG A 58 -4.688 25.341 -12.344 1.00 14.43 H new ATOM 0 HH21 ARG A 58 -2.609 24.433 -15.043 1.00 74.10 H new ATOM 0 HH22 ARG A 58 -2.860 25.564 -13.710 1.00 74.10 H new ATOM 921 N GLN A 59 -3.173 18.173 -16.772 1.00 72.32 N ATOM 922 CA GLN A 59 -1.961 18.061 -17.575 1.00 75.30 C ATOM 923 C GLN A 59 -2.185 17.144 -18.773 1.00 63.40 C ATOM 924 O GLN A 59 -1.851 17.494 -19.905 1.00 11.41 O ATOM 925 CB GLN A 59 -0.807 17.532 -16.721 1.00 63.32 C ATOM 926 CG GLN A 59 0.435 18.408 -16.768 1.00 51.31 C ATOM 927 CD GLN A 59 1.156 18.467 -15.436 1.00 3.04 C ATOM 928 OE1 GLN A 59 0.573 18.836 -14.416 1.00 32.12 O ATOM 929 NE2 GLN A 59 2.434 18.103 -15.438 1.00 72.20 N ATOM 0 H GLN A 59 -3.149 17.651 -15.896 1.00 72.32 H new ATOM 0 HA GLN A 59 -1.706 19.054 -17.944 1.00 75.30 H new ATOM 0 HB2 GLN A 59 -1.141 17.445 -15.687 1.00 63.32 H new ATOM 0 HB3 GLN A 59 -0.547 16.528 -17.058 1.00 63.32 H new ATOM 0 HG2 GLN A 59 1.116 18.027 -17.529 1.00 51.31 H new ATOM 0 HG3 GLN A 59 0.153 19.417 -17.069 1.00 51.31 H new ATOM 0 HE21 GLN A 59 2.878 17.804 -16.306 1.00 72.20 H new ATOM 0 HE22 GLN A 59 2.971 18.123 -14.571 1.00 72.20 H new ATOM 938 N ILE A 60 -2.751 15.970 -18.516 1.00 60.31 N ATOM 939 CA ILE A 60 -3.019 15.004 -19.573 1.00 62.33 C ATOM 940 C ILE A 60 -3.832 15.633 -20.699 1.00 64.42 C ATOM 941 O ILE A 60 -3.613 15.343 -21.877 1.00 31.35 O ATOM 942 CB ILE A 60 -3.775 13.775 -19.035 1.00 33.52 C ATOM 943 CG1 ILE A 60 -2.970 13.100 -17.922 1.00 41.15 C ATOM 944 CG2 ILE A 60 -4.059 12.792 -20.161 1.00 65.32 C ATOM 945 CD1 ILE A 60 -3.792 12.167 -17.063 1.00 35.34 C ATOM 0 H ILE A 60 -3.033 15.665 -17.584 1.00 60.31 H new ATOM 0 HA ILE A 60 -2.052 14.684 -19.960 1.00 62.33 H new ATOM 0 HB ILE A 60 -4.727 14.106 -18.620 1.00 33.52 H new ATOM 0 HG12 ILE A 60 -2.148 12.540 -18.368 1.00 41.15 H new ATOM 0 HG13 ILE A 60 -2.527 13.868 -17.288 1.00 41.15 H new ATOM 0 HG21 ILE A 60 -4.594 11.929 -19.764 1.00 65.32 H new ATOM 0 HG22 ILE A 60 -4.669 13.278 -20.923 1.00 65.32 H new ATOM 0 HG23 ILE A 60 -3.118 12.464 -20.604 1.00 65.32 H new ATOM 0 HD11 ILE A 60 -3.157 11.724 -16.296 1.00 35.34 H new ATOM 0 HD12 ILE A 60 -4.599 12.725 -16.588 1.00 35.34 H new ATOM 0 HD13 ILE A 60 -4.214 11.377 -17.684 1.00 35.34 H new ATOM 957 N LEU A 61 -4.771 16.498 -20.332 1.00 34.01 N ATOM 958 CA LEU A 61 -5.617 17.171 -21.311 1.00 42.22 C ATOM 959 C LEU A 61 -4.843 18.268 -22.036 1.00 51.33 C ATOM 960 O LEU A 61 -5.162 18.621 -23.171 1.00 70.43 O ATOM 961 CB LEU A 61 -6.848 17.767 -20.627 1.00 13.45 C ATOM 962 CG LEU A 61 -7.761 16.776 -19.905 1.00 20.40 C ATOM 963 CD1 LEU A 61 -8.548 17.476 -18.808 1.00 23.02 C ATOM 964 CD2 LEU A 61 -8.702 16.101 -20.892 1.00 51.33 C ATOM 0 H LEU A 61 -4.966 16.750 -19.363 1.00 34.01 H new ATOM 0 HA LEU A 61 -5.939 16.432 -22.045 1.00 42.22 H new ATOM 0 HB2 LEU A 61 -6.513 18.513 -19.906 1.00 13.45 H new ATOM 0 HB3 LEU A 61 -7.438 18.292 -21.378 1.00 13.45 H new ATOM 0 HG LEU A 61 -7.139 16.009 -19.444 1.00 20.40 H new ATOM 0 HD11 LEU A 61 -9.192 16.755 -18.305 1.00 23.02 H new ATOM 0 HD12 LEU A 61 -7.857 17.911 -18.086 1.00 23.02 H new ATOM 0 HD13 LEU A 61 -9.159 18.265 -19.246 1.00 23.02 H new ATOM 0 HD21 LEU A 61 -9.344 15.399 -20.360 1.00 51.33 H new ATOM 0 HD22 LEU A 61 -9.317 16.855 -21.383 1.00 51.33 H new ATOM 0 HD23 LEU A 61 -8.120 15.564 -21.641 1.00 51.33 H new ATOM 976 N GLY A 62 -3.823 18.803 -21.373 1.00 65.11 N ATOM 977 CA GLY A 62 -3.017 19.852 -21.971 1.00 52.12 C ATOM 978 C GLY A 62 -2.188 19.353 -23.137 1.00 12.44 C ATOM 979 O GLY A 62 -1.763 20.138 -23.985 1.00 74.31 O ATOM 0 H GLY A 62 -3.540 18.529 -20.432 1.00 65.11 H new ATOM 0 HA2 GLY A 62 -3.668 20.657 -22.311 1.00 52.12 H new ATOM 0 HA3 GLY A 62 -2.356 20.274 -21.214 1.00 52.12 H new ATOM 983 N GLN A 63 -1.954 18.046 -23.178 1.00 72.32 N ATOM 984 CA GLN A 63 -1.167 17.444 -24.249 1.00 11.23 C ATOM 985 C GLN A 63 -2.066 16.972 -25.386 1.00 31.13 C ATOM 986 O GLN A 63 -1.648 16.924 -26.543 1.00 24.34 O ATOM 987 CB GLN A 63 -0.347 16.271 -23.709 1.00 33.22 C ATOM 988 CG GLN A 63 1.116 16.607 -23.473 1.00 52.45 C ATOM 989 CD GLN A 63 1.997 15.376 -23.414 1.00 22.45 C ATOM 990 OE1 GLN A 63 1.954 14.525 -24.303 1.00 2.24 O ATOM 991 NE2 GLN A 63 2.803 15.273 -22.364 1.00 52.40 N ATOM 0 H GLN A 63 -2.297 17.383 -22.483 1.00 72.32 H new ATOM 0 HA GLN A 63 -0.489 18.203 -24.639 1.00 11.23 H new ATOM 0 HB2 GLN A 63 -0.788 15.931 -22.772 1.00 33.22 H new ATOM 0 HB3 GLN A 63 -0.411 15.440 -24.412 1.00 33.22 H new ATOM 0 HG2 GLN A 63 1.467 17.262 -24.270 1.00 52.45 H new ATOM 0 HG3 GLN A 63 1.211 17.162 -22.540 1.00 52.45 H new ATOM 0 HE21 GLN A 63 2.806 16.002 -21.650 1.00 52.40 H new ATOM 0 HE22 GLN A 63 3.419 14.465 -22.271 1.00 52.40 H new ATOM 1000 N LEU A 64 -3.303 16.623 -25.050 1.00 40.44 N ATOM 1001 CA LEU A 64 -4.263 16.154 -26.044 1.00 10.32 C ATOM 1002 C LEU A 64 -5.023 17.323 -26.662 1.00 2.00 C ATOM 1003 O LEU A 64 -5.501 17.235 -27.792 1.00 44.31 O ATOM 1004 CB LEU A 64 -5.246 15.171 -25.407 1.00 30.41 C ATOM 1005 CG LEU A 64 -4.632 13.925 -24.769 1.00 21.20 C ATOM 1006 CD1 LEU A 64 -5.626 13.262 -23.828 1.00 65.43 C ATOM 1007 CD2 LEU A 64 -4.175 12.946 -25.841 1.00 61.11 C ATOM 0 H LEU A 64 -3.665 16.656 -24.097 1.00 40.44 H new ATOM 0 HA LEU A 64 -3.711 15.646 -26.835 1.00 10.32 H new ATOM 0 HB2 LEU A 64 -5.816 15.702 -24.644 1.00 30.41 H new ATOM 0 HB3 LEU A 64 -5.955 14.852 -26.171 1.00 30.41 H new ATOM 0 HG LEU A 64 -3.761 14.230 -24.189 1.00 21.20 H new ATOM 0 HD11 LEU A 64 -5.171 12.377 -23.383 1.00 65.43 H new ATOM 0 HD12 LEU A 64 -5.904 13.962 -23.040 1.00 65.43 H new ATOM 0 HD13 LEU A 64 -6.516 12.971 -24.385 1.00 65.43 H new ATOM 0 HD21 LEU A 64 -3.741 12.065 -25.368 1.00 61.11 H new ATOM 0 HD22 LEU A 64 -5.029 12.647 -26.449 1.00 61.11 H new ATOM 0 HD23 LEU A 64 -3.428 13.423 -26.475 1.00 61.11 H new ATOM 1019 N GLN A 65 -5.127 18.416 -25.913 1.00 52.05 N ATOM 1020 CA GLN A 65 -5.828 19.603 -26.389 1.00 40.10 C ATOM 1021 C GLN A 65 -5.309 20.029 -27.759 1.00 15.45 C ATOM 1022 O GLN A 65 -6.043 20.053 -28.747 1.00 62.52 O ATOM 1023 CB GLN A 65 -5.667 20.751 -25.390 1.00 62.10 C ATOM 1024 CG GLN A 65 -6.906 20.999 -24.544 1.00 43.23 C ATOM 1025 CD GLN A 65 -6.692 22.076 -23.499 1.00 14.22 C ATOM 1026 OE1 GLN A 65 -6.033 21.850 -22.483 1.00 35.41 O ATOM 1027 NE2 GLN A 65 -7.248 23.256 -23.742 1.00 44.30 N ATOM 0 H GLN A 65 -4.735 18.504 -24.975 1.00 52.05 H new ATOM 0 HA GLN A 65 -6.886 19.357 -26.482 1.00 40.10 H new ATOM 0 HB2 GLN A 65 -4.825 20.534 -24.732 1.00 62.10 H new ATOM 0 HB3 GLN A 65 -5.420 21.663 -25.934 1.00 62.10 H new ATOM 0 HG2 GLN A 65 -7.733 21.287 -25.193 1.00 43.23 H new ATOM 0 HG3 GLN A 65 -7.196 20.071 -24.050 1.00 43.23 H new ATOM 0 HE21 GLN A 65 -7.786 23.400 -24.597 1.00 44.30 H new ATOM 0 HE22 GLN A 65 -7.137 24.019 -23.074 1.00 44.30 H new ATOM 1036 N PRO A 66 -4.014 20.374 -27.821 1.00 34.11 N ATOM 1037 CA PRO A 66 -3.369 20.805 -29.064 1.00 31.04 C ATOM 1038 C PRO A 66 -3.213 19.664 -30.063 1.00 15.02 C ATOM 1039 O PRO A 66 -2.981 19.892 -31.250 1.00 4.24 O ATOM 1040 CB PRO A 66 -1.996 21.299 -28.598 1.00 74.25 C ATOM 1041 CG PRO A 66 -1.738 20.560 -27.331 1.00 15.41 C ATOM 1042 CD PRO A 66 -3.081 20.369 -26.682 1.00 14.22 C ATOM 0 HA PRO A 66 -3.955 21.561 -29.586 1.00 31.04 H new ATOM 0 HB2 PRO A 66 -1.227 21.090 -29.342 1.00 74.25 H new ATOM 0 HB3 PRO A 66 -1.997 22.377 -28.435 1.00 74.25 H new ATOM 0 HG2 PRO A 66 -1.260 19.600 -27.529 1.00 15.41 H new ATOM 0 HG3 PRO A 66 -1.067 21.122 -26.681 1.00 15.41 H new ATOM 0 HD2 PRO A 66 -3.129 19.432 -26.127 1.00 14.22 H new ATOM 0 HD3 PRO A 66 -3.304 21.169 -25.976 1.00 14.22 H new ATOM 1050 N SER A 67 -3.344 18.434 -29.574 1.00 44.20 N ATOM 1051 CA SER A 67 -3.214 17.256 -30.424 1.00 54.42 C ATOM 1052 C SER A 67 -4.585 16.687 -30.775 1.00 20.25 C ATOM 1053 O SER A 67 -4.725 15.491 -31.038 1.00 31.10 O ATOM 1054 CB SER A 67 -2.369 16.189 -29.726 1.00 64.33 C ATOM 1055 OG SER A 67 -1.083 16.689 -29.402 1.00 65.30 O ATOM 0 H SER A 67 -3.540 18.228 -28.594 1.00 44.20 H new ATOM 0 HA SER A 67 -2.717 17.556 -31.347 1.00 54.42 H new ATOM 0 HB2 SER A 67 -2.873 15.858 -28.818 1.00 64.33 H new ATOM 0 HB3 SER A 67 -2.271 15.317 -30.373 1.00 64.33 H new ATOM 0 HG SER A 67 -1.035 16.871 -28.440 1.00 65.30 H new ATOM 1061 N LEU A 68 -5.595 17.550 -30.776 1.00 60.44 N ATOM 1062 CA LEU A 68 -6.957 17.134 -31.094 1.00 24.03 C ATOM 1063 C LEU A 68 -7.172 17.085 -32.604 1.00 52.54 C ATOM 1064 O LEU A 68 -7.940 16.264 -33.104 1.00 31.35 O ATOM 1065 CB LEU A 68 -7.965 18.089 -30.454 1.00 30.40 C ATOM 1066 CG LEU A 68 -8.522 17.664 -29.094 1.00 1.52 C ATOM 1067 CD1 LEU A 68 -9.265 18.818 -28.439 1.00 34.22 C ATOM 1068 CD2 LEU A 68 -9.434 16.456 -29.245 1.00 22.54 C ATOM 0 H LEU A 68 -5.497 18.542 -30.560 1.00 60.44 H new ATOM 0 HA LEU A 68 -7.109 16.133 -30.691 1.00 24.03 H new ATOM 0 HB2 LEU A 68 -7.491 19.064 -30.341 1.00 30.40 H new ATOM 0 HB3 LEU A 68 -8.800 18.218 -31.142 1.00 30.40 H new ATOM 0 HG LEU A 68 -7.687 17.384 -28.451 1.00 1.52 H new ATOM 0 HD11 LEU A 68 -9.655 18.498 -27.473 1.00 34.22 H new ATOM 0 HD12 LEU A 68 -8.582 19.656 -28.296 1.00 34.22 H new ATOM 0 HD13 LEU A 68 -10.091 19.128 -29.079 1.00 34.22 H new ATOM 0 HD21 LEU A 68 -9.821 16.168 -28.268 1.00 22.54 H new ATOM 0 HD22 LEU A 68 -10.265 16.707 -29.904 1.00 22.54 H new ATOM 0 HD23 LEU A 68 -8.871 15.626 -29.671 1.00 22.54 H new ATOM 1080 N GLN A 69 -6.489 17.970 -33.322 1.00 65.52 N ATOM 1081 CA GLN A 69 -6.605 18.026 -34.775 1.00 11.14 C ATOM 1082 C GLN A 69 -5.831 16.885 -35.427 1.00 60.52 C ATOM 1083 O GLN A 69 -6.328 16.229 -36.344 1.00 24.33 O ATOM 1084 CB GLN A 69 -6.092 19.369 -35.297 1.00 13.12 C ATOM 1085 CG GLN A 69 -6.931 19.944 -36.427 1.00 74.10 C ATOM 1086 CD GLN A 69 -7.149 18.954 -37.554 1.00 24.21 C ATOM 1087 OE1 GLN A 69 -8.171 18.270 -37.607 1.00 31.33 O ATOM 1088 NE2 GLN A 69 -6.186 18.873 -38.465 1.00 31.14 N ATOM 0 H GLN A 69 -5.850 18.657 -32.922 1.00 65.52 H new ATOM 0 HA GLN A 69 -7.658 17.921 -35.035 1.00 11.14 H new ATOM 0 HB2 GLN A 69 -6.067 20.084 -34.474 1.00 13.12 H new ATOM 0 HB3 GLN A 69 -5.066 19.246 -35.644 1.00 13.12 H new ATOM 0 HG2 GLN A 69 -7.897 20.259 -36.033 1.00 74.10 H new ATOM 0 HG3 GLN A 69 -6.442 20.835 -36.821 1.00 74.10 H new ATOM 0 HE21 GLN A 69 -5.355 19.459 -38.382 1.00 31.14 H new ATOM 0 HE22 GLN A 69 -6.277 18.225 -39.247 1.00 31.14 H new ATOM 1097 N THR A 70 -4.613 16.652 -34.950 1.00 11.11 N ATOM 1098 CA THR A 70 -3.770 15.592 -35.487 1.00 62.34 C ATOM 1099 C THR A 70 -3.895 14.318 -34.660 1.00 2.35 C ATOM 1100 O THR A 70 -2.947 13.541 -34.552 1.00 60.13 O ATOM 1101 CB THR A 70 -2.291 16.019 -35.534 1.00 24.43 C ATOM 1102 OG1 THR A 70 -1.878 16.494 -34.248 1.00 41.03 O ATOM 1103 CG2 THR A 70 -2.073 17.104 -36.576 1.00 50.23 C ATOM 0 H THR A 70 -4.188 17.184 -34.191 1.00 11.11 H new ATOM 0 HA THR A 70 -4.115 15.397 -36.502 1.00 62.34 H new ATOM 0 HB THR A 70 -1.693 15.150 -35.809 1.00 24.43 H new ATOM 0 HG1 THR A 70 -0.936 16.762 -34.285 1.00 41.03 H new ATOM 0 HG21 THR A 70 -1.021 17.389 -36.590 1.00 50.23 H new ATOM 0 HG22 THR A 70 -2.361 16.728 -37.558 1.00 50.23 H new ATOM 0 HG23 THR A 70 -2.681 17.974 -36.328 1.00 50.23 H new ATOM 1111 N GLY A 71 -5.071 14.109 -34.077 1.00 54.05 N ATOM 1112 CA GLY A 71 -5.298 12.926 -33.266 1.00 45.45 C ATOM 1113 C GLY A 71 -6.183 11.910 -33.959 1.00 3.13 C ATOM 1114 O GLY A 71 -6.877 12.235 -34.921 1.00 62.24 O ATOM 0 H GLY A 71 -5.871 14.737 -34.151 1.00 54.05 H new ATOM 0 HA2 GLY A 71 -4.340 12.465 -33.025 1.00 45.45 H new ATOM 0 HA3 GLY A 71 -5.757 13.219 -32.322 1.00 45.45 H new ATOM 1118 N SER A 72 -6.157 10.675 -33.469 1.00 34.30 N ATOM 1119 CA SER A 72 -6.960 9.605 -34.051 1.00 63.42 C ATOM 1120 C SER A 72 -8.055 9.162 -33.087 1.00 35.25 C ATOM 1121 O SER A 72 -8.273 9.786 -32.049 1.00 54.22 O ATOM 1122 CB SER A 72 -6.073 8.413 -34.416 1.00 3.34 C ATOM 1123 OG SER A 72 -5.923 7.533 -33.315 1.00 72.24 O ATOM 0 H SER A 72 -5.589 10.390 -32.671 1.00 34.30 H new ATOM 0 HA SER A 72 -7.430 9.989 -34.956 1.00 63.42 H new ATOM 0 HB2 SER A 72 -6.509 7.876 -35.258 1.00 3.34 H new ATOM 0 HB3 SER A 72 -5.094 8.769 -34.737 1.00 3.34 H new ATOM 0 HG SER A 72 -5.353 6.779 -33.574 1.00 72.24 H new ATOM 1129 N GLU A 73 -8.742 8.078 -33.437 1.00 23.42 N ATOM 1130 CA GLU A 73 -9.815 7.551 -32.603 1.00 72.31 C ATOM 1131 C GLU A 73 -9.337 7.341 -31.169 1.00 61.12 C ATOM 1132 O GLU A 73 -10.092 7.540 -30.218 1.00 62.20 O ATOM 1133 CB GLU A 73 -10.336 6.232 -33.178 1.00 15.40 C ATOM 1134 CG GLU A 73 -11.741 6.330 -33.750 1.00 24.01 C ATOM 1135 CD GLU A 73 -11.833 7.307 -34.906 1.00 70.00 C ATOM 1136 OE1 GLU A 73 -11.050 7.162 -35.868 1.00 62.22 O ATOM 1137 OE2 GLU A 73 -12.686 8.216 -34.849 1.00 11.53 O1- ATOM 0 H GLU A 73 -8.574 7.548 -34.292 1.00 23.42 H new ATOM 0 HA GLU A 73 -10.625 8.280 -32.594 1.00 72.31 H new ATOM 0 HB2 GLU A 73 -9.657 5.893 -33.960 1.00 15.40 H new ATOM 0 HB3 GLU A 73 -10.324 5.474 -32.395 1.00 15.40 H new ATOM 0 HG2 GLU A 73 -12.062 5.344 -34.086 1.00 24.01 H new ATOM 0 HG3 GLU A 73 -12.429 6.638 -32.963 1.00 24.01 H new ATOM 1144 N GLU A 74 -8.079 6.936 -31.025 1.00 22.52 N ATOM 1145 CA GLU A 74 -7.501 6.697 -29.708 1.00 30.15 C ATOM 1146 C GLU A 74 -7.369 8.002 -28.927 1.00 21.44 C ATOM 1147 O GLU A 74 -7.768 8.086 -27.765 1.00 52.52 O ATOM 1148 CB GLU A 74 -6.131 6.029 -29.841 1.00 74.11 C ATOM 1149 CG GLU A 74 -5.895 4.917 -28.832 1.00 33.13 C ATOM 1150 CD GLU A 74 -6.069 3.536 -29.434 1.00 44.52 C ATOM 1151 OE1 GLU A 74 -6.954 3.375 -30.301 1.00 33.54 O ATOM 1152 OE2 GLU A 74 -5.319 2.618 -29.039 1.00 55.25 O1- ATOM 0 H GLU A 74 -7.442 6.767 -31.803 1.00 22.52 H new ATOM 0 HA GLU A 74 -8.170 6.032 -29.161 1.00 30.15 H new ATOM 0 HB2 GLU A 74 -6.031 5.622 -30.847 1.00 74.11 H new ATOM 0 HB3 GLU A 74 -5.355 6.785 -29.724 1.00 74.11 H new ATOM 0 HG2 GLU A 74 -4.888 5.008 -28.426 1.00 33.13 H new ATOM 0 HG3 GLU A 74 -6.587 5.035 -27.998 1.00 33.13 H new ATOM 1159 N LEU A 75 -6.805 9.016 -29.573 1.00 2.41 N ATOM 1160 CA LEU A 75 -6.618 10.317 -28.940 1.00 42.41 C ATOM 1161 C LEU A 75 -7.960 10.938 -28.565 1.00 73.43 C ATOM 1162 O LEU A 75 -8.163 11.362 -27.427 1.00 45.21 O ATOM 1163 CB LEU A 75 -5.853 11.256 -29.875 1.00 44.11 C ATOM 1164 CG LEU A 75 -4.964 12.299 -29.198 1.00 22.34 C ATOM 1165 CD1 LEU A 75 -3.706 12.543 -30.018 1.00 71.51 C ATOM 1166 CD2 LEU A 75 -5.728 13.598 -28.991 1.00 23.21 C ATOM 0 H LEU A 75 -6.469 8.963 -30.535 1.00 2.41 H new ATOM 0 HA LEU A 75 -6.039 10.170 -28.028 1.00 42.41 H new ATOM 0 HB2 LEU A 75 -5.231 10.651 -30.535 1.00 44.11 H new ATOM 0 HB3 LEU A 75 -6.575 11.776 -30.505 1.00 44.11 H new ATOM 0 HG LEU A 75 -4.667 11.916 -28.222 1.00 22.34 H new ATOM 0 HD11 LEU A 75 -3.086 13.288 -29.520 1.00 71.51 H new ATOM 0 HD12 LEU A 75 -3.148 11.612 -30.114 1.00 71.51 H new ATOM 0 HD13 LEU A 75 -3.982 12.904 -31.009 1.00 71.51 H new ATOM 0 HD21 LEU A 75 -5.079 14.329 -28.508 1.00 23.21 H new ATOM 0 HD22 LEU A 75 -6.055 13.985 -29.956 1.00 23.21 H new ATOM 0 HD23 LEU A 75 -6.598 13.412 -28.361 1.00 23.21 H new ATOM 1178 N ARG A 76 -8.874 10.984 -29.529 1.00 52.42 N ATOM 1179 CA ARG A 76 -10.198 11.552 -29.300 1.00 31.23 C ATOM 1180 C ARG A 76 -10.870 10.894 -28.098 1.00 70.34 C ATOM 1181 O ARG A 76 -11.356 11.575 -27.195 1.00 4.23 O ATOM 1182 CB ARG A 76 -11.071 11.383 -30.544 1.00 34.53 C ATOM 1183 CG ARG A 76 -11.616 12.693 -31.088 1.00 73.12 C ATOM 1184 CD ARG A 76 -12.701 12.455 -32.128 1.00 3.53 C ATOM 1185 NE ARG A 76 -13.530 13.640 -32.333 1.00 50.24 N ATOM 1186 CZ ARG A 76 -14.457 14.046 -31.472 1.00 4.21 C ATOM 1187 NH1 ARG A 76 -14.671 13.369 -30.353 1.00 21.54 N1+ ATOM 1188 NH2 ARG A 76 -15.172 15.135 -31.729 1.00 24.52 N ATOM 0 H ARG A 76 -8.722 10.635 -30.475 1.00 52.42 H new ATOM 0 HA ARG A 76 -10.080 12.615 -29.091 1.00 31.23 H new ATOM 0 HB2 ARG A 76 -10.488 10.891 -31.322 1.00 34.53 H new ATOM 0 HB3 ARG A 76 -11.905 10.723 -30.305 1.00 34.53 H new ATOM 0 HG2 ARG A 76 -12.019 13.289 -30.269 1.00 73.12 H new ATOM 0 HG3 ARG A 76 -10.805 13.270 -31.532 1.00 73.12 H new ATOM 0 HD2 ARG A 76 -12.241 12.166 -33.073 1.00 3.53 H new ATOM 0 HD3 ARG A 76 -13.330 11.623 -31.812 1.00 3.53 H new ATOM 0 HE ARG A 76 -13.390 14.186 -33.183 1.00 50.24 H new ATOM 0 HH11 ARG A 76 -14.123 12.533 -30.150 1.00 21.54 H new ATOM 0 HH12 ARG A 76 -15.384 13.684 -29.695 1.00 21.54 H new ATOM 0 HH21 ARG A 76 -15.010 15.661 -32.588 1.00 24.52 H new ATOM 0 HH22 ARG A 76 -15.883 15.446 -31.067 1.00 24.52 H new ATOM 1202 N SER A 77 -10.897 9.565 -28.096 1.00 71.34 N ATOM 1203 CA SER A 77 -11.514 8.815 -27.009 1.00 63.43 C ATOM 1204 C SER A 77 -10.906 9.205 -25.665 1.00 62.24 C ATOM 1205 O SER A 77 -11.613 9.338 -24.666 1.00 44.40 O ATOM 1206 CB SER A 77 -11.348 7.311 -27.240 1.00 44.11 C ATOM 1207 OG SER A 77 -12.410 6.795 -28.024 1.00 1.23 O ATOM 0 H SER A 77 -10.499 8.986 -28.835 1.00 71.34 H new ATOM 0 HA SER A 77 -12.576 9.058 -26.991 1.00 63.43 H new ATOM 0 HB2 SER A 77 -10.398 7.119 -27.738 1.00 44.11 H new ATOM 0 HB3 SER A 77 -11.315 6.794 -26.281 1.00 44.11 H new ATOM 0 HG SER A 77 -12.280 5.833 -28.159 1.00 1.23 H new ATOM 1213 N LEU A 78 -9.590 9.385 -25.650 1.00 22.02 N ATOM 1214 CA LEU A 78 -8.884 9.761 -24.429 1.00 71.21 C ATOM 1215 C LEU A 78 -9.384 11.101 -23.901 1.00 31.22 C ATOM 1216 O LEU A 78 -9.842 11.198 -22.762 1.00 53.31 O ATOM 1217 CB LEU A 78 -7.378 9.833 -24.689 1.00 64.51 C ATOM 1218 CG LEU A 78 -6.551 8.656 -24.172 1.00 34.34 C ATOM 1219 CD1 LEU A 78 -6.734 8.494 -22.670 1.00 64.41 C ATOM 1220 CD2 LEU A 78 -6.932 7.374 -24.899 1.00 35.34 C ATOM 0 H LEU A 78 -8.990 9.277 -26.468 1.00 22.02 H new ATOM 0 HA LEU A 78 -9.081 8.998 -23.676 1.00 71.21 H new ATOM 0 HB2 LEU A 78 -7.219 9.919 -25.764 1.00 64.51 H new ATOM 0 HB3 LEU A 78 -6.995 10.747 -24.236 1.00 64.51 H new ATOM 0 HG LEU A 78 -5.499 8.862 -24.370 1.00 34.34 H new ATOM 0 HD11 LEU A 78 -6.138 7.651 -22.320 1.00 64.41 H new ATOM 0 HD12 LEU A 78 -6.410 9.403 -22.164 1.00 64.41 H new ATOM 0 HD13 LEU A 78 -7.786 8.311 -22.449 1.00 64.41 H new ATOM 0 HD21 LEU A 78 -6.333 6.547 -24.517 1.00 35.34 H new ATOM 0 HD22 LEU A 78 -7.989 7.163 -24.734 1.00 35.34 H new ATOM 0 HD23 LEU A 78 -6.748 7.493 -25.967 1.00 35.34 H new ATOM 1232 N TYR A 79 -9.296 12.130 -24.736 1.00 12.11 N ATOM 1233 CA TYR A 79 -9.740 13.465 -24.353 1.00 15.13 C ATOM 1234 C TYR A 79 -11.172 13.433 -23.827 1.00 43.31 C ATOM 1235 O TYR A 79 -11.556 14.249 -22.990 1.00 11.43 O ATOM 1236 CB TYR A 79 -9.643 14.419 -25.544 1.00 72.02 C ATOM 1237 CG TYR A 79 -9.628 15.880 -25.152 1.00 21.44 C ATOM 1238 CD1 TYR A 79 -8.561 16.416 -24.441 1.00 41.12 C ATOM 1239 CD2 TYR A 79 -10.680 16.721 -25.490 1.00 2.43 C ATOM 1240 CE1 TYR A 79 -8.542 17.750 -24.080 1.00 31.43 C ATOM 1241 CE2 TYR A 79 -10.670 18.056 -25.133 1.00 64.42 C ATOM 1242 CZ TYR A 79 -9.598 18.565 -24.429 1.00 54.22 C ATOM 1243 OH TYR A 79 -9.585 19.894 -24.070 1.00 40.24 O ATOM 0 H TYR A 79 -8.921 12.065 -25.682 1.00 12.11 H new ATOM 0 HA TYR A 79 -9.088 13.822 -23.556 1.00 15.13 H new ATOM 0 HB2 TYR A 79 -8.737 14.193 -26.106 1.00 72.02 H new ATOM 0 HB3 TYR A 79 -10.486 14.240 -26.212 1.00 72.02 H new ATOM 0 HD1 TYR A 79 -7.733 15.780 -24.166 1.00 41.12 H new ATOM 0 HD2 TYR A 79 -11.520 16.325 -26.041 1.00 2.43 H new ATOM 0 HE1 TYR A 79 -7.705 18.152 -23.528 1.00 31.43 H new ATOM 0 HE2 TYR A 79 -11.496 18.697 -25.403 1.00 64.42 H new ATOM 0 HH TYR A 79 -10.402 20.328 -24.393 1.00 40.24 H new ATOM 1253 N ASN A 80 -11.957 12.484 -24.325 1.00 0.21 N ATOM 1254 CA ASN A 80 -13.347 12.344 -23.907 1.00 72.40 C ATOM 1255 C ASN A 80 -13.435 11.836 -22.471 1.00 24.53 C ATOM 1256 O ASN A 80 -14.056 12.464 -21.613 1.00 44.42 O ATOM 1257 CB ASN A 80 -14.090 11.389 -24.844 1.00 14.45 C ATOM 1258 CG ASN A 80 -14.881 12.124 -25.909 1.00 0.11 C ATOM 1259 OD1 ASN A 80 -16.090 11.936 -26.040 1.00 54.30 O ATOM 1260 ND2 ASN A 80 -14.199 12.967 -26.677 1.00 13.13 N ATOM 0 H ASN A 80 -11.654 11.800 -25.019 1.00 0.21 H new ATOM 0 HA ASN A 80 -13.815 13.327 -23.955 1.00 72.40 H new ATOM 0 HB2 ASN A 80 -13.373 10.723 -25.323 1.00 14.45 H new ATOM 0 HB3 ASN A 80 -14.765 10.764 -24.260 1.00 14.45 H new ATOM 0 HD21 ASN A 80 -14.678 13.490 -27.411 1.00 13.13 H new ATOM 0 HD22 ASN A 80 -13.197 13.092 -26.533 1.00 13.13 H new ATOM 1267 N THR A 81 -12.807 10.691 -22.215 1.00 54.34 N ATOM 1268 CA THR A 81 -12.814 10.097 -20.884 1.00 43.24 C ATOM 1269 C THR A 81 -12.099 10.993 -19.879 1.00 24.51 C ATOM 1270 O THR A 81 -12.658 11.346 -18.840 1.00 3.11 O ATOM 1271 CB THR A 81 -12.146 8.709 -20.885 1.00 1.32 C ATOM 1272 OG1 THR A 81 -12.741 7.880 -21.889 1.00 41.12 O ATOM 1273 CG2 THR A 81 -12.281 8.043 -19.525 1.00 21.15 C ATOM 0 H THR A 81 -12.288 10.158 -22.912 1.00 54.34 H new ATOM 0 HA THR A 81 -13.858 9.989 -20.591 1.00 43.24 H new ATOM 0 HB THR A 81 -11.086 8.840 -21.104 1.00 1.32 H new ATOM 0 HG1 THR A 81 -12.310 7.000 -21.884 1.00 41.12 H new ATOM 0 HG21 THR A 81 -11.802 7.064 -19.550 1.00 21.15 H new ATOM 0 HG22 THR A 81 -11.801 8.663 -18.767 1.00 21.15 H new ATOM 0 HG23 THR A 81 -13.337 7.924 -19.281 1.00 21.15 H new ATOM 1281 N ILE A 82 -10.860 11.355 -20.193 1.00 44.35 N ATOM 1282 CA ILE A 82 -10.069 12.211 -19.318 1.00 30.10 C ATOM 1283 C ILE A 82 -10.831 13.480 -18.955 1.00 15.32 C ATOM 1284 O ILE A 82 -10.652 14.037 -17.872 1.00 64.24 O ATOM 1285 CB ILE A 82 -8.729 12.599 -19.970 1.00 21.13 C ATOM 1286 CG1 ILE A 82 -7.924 11.346 -20.317 1.00 44.01 C ATOM 1287 CG2 ILE A 82 -7.933 13.508 -19.045 1.00 63.03 C ATOM 1288 CD1 ILE A 82 -6.815 11.596 -21.315 1.00 1.40 C ATOM 0 H ILE A 82 -10.382 11.069 -21.047 1.00 44.35 H new ATOM 0 HA ILE A 82 -9.870 11.638 -18.412 1.00 30.10 H new ATOM 0 HB ILE A 82 -8.935 13.142 -20.892 1.00 21.13 H new ATOM 0 HG12 ILE A 82 -7.494 10.936 -19.403 1.00 44.01 H new ATOM 0 HG13 ILE A 82 -8.599 10.590 -20.718 1.00 44.01 H new ATOM 0 HG21 ILE A 82 -6.989 13.773 -19.520 1.00 63.03 H new ATOM 0 HG22 ILE A 82 -8.505 14.414 -18.844 1.00 63.03 H new ATOM 0 HG23 ILE A 82 -7.734 12.989 -18.107 1.00 63.03 H new ATOM 0 HD11 ILE A 82 -6.287 10.663 -21.513 1.00 1.40 H new ATOM 0 HD12 ILE A 82 -7.240 11.977 -22.244 1.00 1.40 H new ATOM 0 HD13 ILE A 82 -6.118 12.328 -20.908 1.00 1.40 H new ATOM 1300 N ALA A 83 -11.686 13.932 -19.868 1.00 2.44 N ATOM 1301 CA ALA A 83 -12.479 15.134 -19.642 1.00 42.44 C ATOM 1302 C ALA A 83 -13.519 14.909 -18.549 1.00 5.24 C ATOM 1303 O ALA A 83 -13.488 15.564 -17.507 1.00 75.05 O ATOM 1304 CB ALA A 83 -13.155 15.570 -20.933 1.00 43.13 C ATOM 0 H ALA A 83 -11.847 13.484 -20.770 1.00 2.44 H new ATOM 0 HA ALA A 83 -11.807 15.925 -19.310 1.00 42.44 H new ATOM 0 HB1 ALA A 83 -13.744 16.469 -20.750 1.00 43.13 H new ATOM 0 HB2 ALA A 83 -12.397 15.780 -21.688 1.00 43.13 H new ATOM 0 HB3 ALA A 83 -13.809 14.774 -21.288 1.00 43.13 H new ATOM 1310 N VAL A 84 -14.436 13.980 -18.794 1.00 11.14 N ATOM 1311 CA VAL A 84 -15.485 13.668 -17.830 1.00 50.45 C ATOM 1312 C VAL A 84 -14.898 13.384 -16.452 1.00 1.31 C ATOM 1313 O VAL A 84 -15.469 13.768 -15.430 1.00 71.23 O ATOM 1314 CB VAL A 84 -16.318 12.454 -18.281 1.00 71.14 C ATOM 1315 CG1 VAL A 84 -17.397 12.136 -17.256 1.00 5.31 C ATOM 1316 CG2 VAL A 84 -16.932 12.708 -19.650 1.00 13.31 C ATOM 0 H VAL A 84 -14.474 13.430 -19.652 1.00 11.14 H new ATOM 0 HA VAL A 84 -16.133 14.543 -17.773 1.00 50.45 H new ATOM 0 HB VAL A 84 -15.657 11.591 -18.358 1.00 71.14 H new ATOM 0 HG11 VAL A 84 -17.975 11.275 -17.592 1.00 5.31 H new ATOM 0 HG12 VAL A 84 -16.932 11.909 -16.297 1.00 5.31 H new ATOM 0 HG13 VAL A 84 -18.057 12.996 -17.144 1.00 5.31 H new ATOM 0 HG21 VAL A 84 -17.517 11.840 -19.953 1.00 13.31 H new ATOM 0 HG22 VAL A 84 -17.580 13.583 -19.602 1.00 13.31 H new ATOM 0 HG23 VAL A 84 -16.139 12.883 -20.377 1.00 13.31 H new ATOM 1326 N LEU A 85 -13.753 12.710 -16.431 1.00 35.12 N ATOM 1327 CA LEU A 85 -13.087 12.374 -15.177 1.00 44.23 C ATOM 1328 C LEU A 85 -12.615 13.632 -14.456 1.00 45.53 C ATOM 1329 O LEU A 85 -12.898 13.827 -13.275 1.00 11.33 O ATOM 1330 CB LEU A 85 -11.898 11.448 -15.441 1.00 31.24 C ATOM 1331 CG LEU A 85 -11.446 10.585 -14.263 1.00 23.24 C ATOM 1332 CD1 LEU A 85 -12.466 9.494 -13.976 1.00 24.22 C ATOM 1333 CD2 LEU A 85 -10.077 9.979 -14.540 1.00 10.04 C ATOM 0 H LEU A 85 -13.267 12.386 -17.267 1.00 35.12 H new ATOM 0 HA LEU A 85 -13.806 11.860 -14.539 1.00 44.23 H new ATOM 0 HB2 LEU A 85 -12.153 10.789 -16.271 1.00 31.24 H new ATOM 0 HB3 LEU A 85 -11.054 12.057 -15.765 1.00 31.24 H new ATOM 0 HG LEU A 85 -11.368 11.221 -13.381 1.00 23.24 H new ATOM 0 HD11 LEU A 85 -12.126 8.890 -13.134 1.00 24.22 H new ATOM 0 HD12 LEU A 85 -13.426 9.949 -13.732 1.00 24.22 H new ATOM 0 HD13 LEU A 85 -12.578 8.860 -14.855 1.00 24.22 H new ATOM 0 HD21 LEU A 85 -9.771 9.368 -13.691 1.00 10.04 H new ATOM 0 HD22 LEU A 85 -10.128 9.358 -15.434 1.00 10.04 H new ATOM 0 HD23 LEU A 85 -9.350 10.777 -14.693 1.00 10.04 H new ATOM 1345 N TYR A 86 -11.895 14.486 -15.177 1.00 73.04 N ATOM 1346 CA TYR A 86 -11.385 15.727 -14.607 1.00 25.53 C ATOM 1347 C TYR A 86 -12.503 16.520 -13.937 1.00 3.02 C ATOM 1348 O TYR A 86 -12.375 16.944 -12.788 1.00 30.22 O ATOM 1349 CB TYR A 86 -10.722 16.576 -15.694 1.00 1.34 C ATOM 1350 CG TYR A 86 -10.347 17.966 -15.230 1.00 5.11 C ATOM 1351 CD1 TYR A 86 -9.328 18.160 -14.305 1.00 53.12 C ATOM 1352 CD2 TYR A 86 -11.010 19.086 -15.718 1.00 25.54 C ATOM 1353 CE1 TYR A 86 -8.983 19.427 -13.878 1.00 3.52 C ATOM 1354 CE2 TYR A 86 -10.670 20.357 -15.298 1.00 21.14 C ATOM 1355 CZ TYR A 86 -9.656 20.522 -14.378 1.00 41.41 C ATOM 1356 OH TYR A 86 -9.313 21.787 -13.957 1.00 55.41 O ATOM 0 H TYR A 86 -11.652 14.341 -16.157 1.00 73.04 H new ATOM 0 HA TYR A 86 -10.643 15.472 -13.850 1.00 25.53 H new ATOM 0 HB2 TYR A 86 -9.826 16.065 -16.047 1.00 1.34 H new ATOM 0 HB3 TYR A 86 -11.399 16.656 -16.545 1.00 1.34 H new ATOM 0 HD1 TYR A 86 -8.797 17.305 -13.913 1.00 53.12 H new ATOM 0 HD2 TYR A 86 -11.805 18.960 -16.438 1.00 25.54 H new ATOM 0 HE1 TYR A 86 -8.190 19.560 -13.156 1.00 3.52 H new ATOM 0 HE2 TYR A 86 -11.195 21.217 -15.688 1.00 21.14 H new ATOM 0 HH TYR A 86 -9.882 22.447 -14.406 1.00 55.41 H new ATOM 1366 N CYS A 87 -13.598 16.715 -14.662 1.00 63.33 N ATOM 1367 CA CYS A 87 -14.739 17.457 -14.140 1.00 74.45 C ATOM 1368 C CYS A 87 -15.175 16.902 -12.788 1.00 11.41 C ATOM 1369 O CYS A 87 -15.693 17.632 -11.942 1.00 42.12 O ATOM 1370 CB CYS A 87 -15.906 17.401 -15.127 1.00 44.44 C ATOM 1371 SG CYS A 87 -15.574 18.214 -16.708 1.00 63.13 S ATOM 0 H CYS A 87 -13.720 16.369 -15.614 1.00 63.33 H new ATOM 0 HA CYS A 87 -14.435 18.495 -14.007 1.00 74.45 H new ATOM 0 HB2 CYS A 87 -16.161 16.358 -15.313 1.00 44.44 H new ATOM 0 HB3 CYS A 87 -16.779 17.865 -14.668 1.00 44.44 H new ATOM 0 HG CYS A 87 -14.764 17.480 -17.412 1.00 63.13 H new ATOM 1377 N VAL A 88 -14.963 15.605 -12.590 1.00 30.05 N ATOM 1378 CA VAL A 88 -15.334 14.951 -11.341 1.00 51.13 C ATOM 1379 C VAL A 88 -14.361 15.309 -10.222 1.00 50.55 C ATOM 1380 O VAL A 88 -14.760 15.483 -9.070 1.00 72.03 O ATOM 1381 CB VAL A 88 -15.374 13.419 -11.500 1.00 14.42 C ATOM 1382 CG1 VAL A 88 -15.932 12.767 -10.243 1.00 20.43 C ATOM 1383 CG2 VAL A 88 -16.196 13.032 -12.720 1.00 70.04 C ATOM 0 H VAL A 88 -14.536 14.986 -13.279 1.00 30.05 H new ATOM 0 HA VAL A 88 -16.330 15.309 -11.081 1.00 51.13 H new ATOM 0 HB VAL A 88 -14.356 13.059 -11.647 1.00 14.42 H new ATOM 0 HG11 VAL A 88 -15.953 11.685 -10.373 1.00 20.43 H new ATOM 0 HG12 VAL A 88 -15.299 13.018 -9.392 1.00 20.43 H new ATOM 0 HG13 VAL A 88 -16.944 13.131 -10.063 1.00 20.43 H new ATOM 0 HG21 VAL A 88 -16.214 11.947 -12.817 1.00 70.04 H new ATOM 0 HG22 VAL A 88 -17.215 13.403 -12.605 1.00 70.04 H new ATOM 0 HG23 VAL A 88 -15.749 13.469 -13.613 1.00 70.04 H new ATOM 1393 N HIS A 89 -13.083 15.420 -10.570 1.00 42.03 N ATOM 1394 CA HIS A 89 -12.052 15.760 -9.596 1.00 22.50 C ATOM 1395 C HIS A 89 -11.988 17.268 -9.378 1.00 50.43 C ATOM 1396 O HIS A 89 -11.274 17.677 -8.462 1.00 74.24 O ATOM 1397 CB HIS A 89 -10.690 15.242 -10.061 1.00 72.33 C ATOM 1398 CG HIS A 89 -10.650 13.759 -10.264 1.00 75.12 C ATOM 1399 ND1 HIS A 89 -11.446 12.881 -9.558 1.00 52.20 N ATOM 1400 CD2 HIS A 89 -9.905 12.998 -11.099 1.00 54.11 C ATOM 1401 CE1 HIS A 89 -11.191 11.645 -9.950 1.00 40.41 C ATOM 1402 NE2 HIS A 89 -10.260 11.689 -10.885 1.00 43.14 N ATOM 0 H HIS A 89 -12.737 15.279 -11.519 1.00 42.03 H new ATOM 0 HA HIS A 89 -12.309 15.284 -8.650 1.00 22.50 H new ATOM 0 HB2 HIS A 89 -10.423 15.736 -10.995 1.00 72.33 H new ATOM 0 HB3 HIS A 89 -9.935 15.520 -9.326 1.00 72.33 H new ATOM 0 HD2 HIS A 89 -9.168 13.354 -11.803 1.00 54.11 H new ATOM 0 HE1 HIS A 89 -11.664 10.751 -9.570 1.00 40.41 H new ATOM 0 HE2 HIS A 89 -9.868 10.882 -11.370 1.00 43.14 H new ATOM 1411 N GLN A 90 -12.689 18.077 -10.165 1.00 65.23 N ATOM 1412 CA GLN A 90 -12.657 19.525 -9.995 1.00 74.22 C ATOM 1413 C GLN A 90 -13.918 20.017 -9.289 1.00 44.44 C ATOM 1414 O GLN A 90 -13.880 20.379 -8.113 1.00 73.52 O ATOM 1415 CB GLN A 90 -12.515 20.216 -11.352 1.00 52.44 C ATOM 1416 CG GLN A 90 -11.158 20.866 -11.565 1.00 62.01 C ATOM 1417 CD GLN A 90 -10.771 21.794 -10.430 1.00 42.10 C ATOM 1418 OE1 GLN A 90 -10.147 21.375 -9.455 1.00 32.22 O ATOM 1419 NE2 GLN A 90 -11.139 23.064 -10.552 1.00 71.03 N ATOM 0 H GLN A 90 -13.286 17.755 -10.927 1.00 65.23 H new ATOM 0 HA GLN A 90 -11.795 19.775 -9.377 1.00 74.22 H new ATOM 0 HB2 GLN A 90 -12.686 19.485 -12.142 1.00 52.44 H new ATOM 0 HB3 GLN A 90 -13.291 20.975 -11.447 1.00 52.44 H new ATOM 0 HG2 GLN A 90 -10.400 20.090 -11.669 1.00 62.01 H new ATOM 0 HG3 GLN A 90 -11.171 21.427 -12.500 1.00 62.01 H new ATOM 0 HE21 GLN A 90 -11.655 23.368 -11.377 1.00 71.03 H new ATOM 0 HE22 GLN A 90 -10.905 23.735 -9.820 1.00 71.03 H new ATOM 1428 N ARG A 91 -15.031 20.029 -10.016 1.00 25.42 N ATOM 1429 CA ARG A 91 -16.301 20.478 -9.460 1.00 63.14 C ATOM 1430 C ARG A 91 -17.416 20.369 -10.496 1.00 51.23 C ATOM 1431 O ARG A 91 -18.561 20.065 -10.160 1.00 13.42 O ATOM 1432 CB ARG A 91 -16.184 21.922 -8.970 1.00 54.14 C ATOM 1433 CG ARG A 91 -15.494 22.848 -9.959 1.00 30.31 C ATOM 1434 CD ARG A 91 -16.096 24.244 -9.931 1.00 74.50 C ATOM 1435 NE ARG A 91 -15.098 25.266 -9.630 1.00 71.41 N ATOM 1436 CZ ARG A 91 -14.602 25.473 -8.416 1.00 50.02 C ATOM 1437 NH1 ARG A 91 -15.010 24.734 -7.394 1.00 33.52 N1+ ATOM 1438 NH2 ARG A 91 -13.695 26.423 -8.221 1.00 52.14 N ATOM 0 H ARG A 91 -15.078 19.733 -10.991 1.00 25.42 H new ATOM 0 HA ARG A 91 -16.549 19.834 -8.616 1.00 63.14 H new ATOM 0 HB2 ARG A 91 -17.182 22.307 -8.760 1.00 54.14 H new ATOM 0 HB3 ARG A 91 -15.633 21.934 -8.029 1.00 54.14 H new ATOM 0 HG2 ARG A 91 -14.431 22.905 -9.725 1.00 30.31 H new ATOM 0 HG3 ARG A 91 -15.577 22.435 -10.964 1.00 30.31 H new ATOM 0 HD2 ARG A 91 -16.556 24.460 -10.896 1.00 74.50 H new ATOM 0 HD3 ARG A 91 -16.889 24.281 -9.184 1.00 74.50 H new ATOM 0 HE ARG A 91 -14.763 25.853 -10.394 1.00 71.41 H new ATOM 0 HH11 ARG A 91 -15.707 24.004 -7.539 1.00 33.52 H new ATOM 0 HH12 ARG A 91 -14.627 24.896 -6.463 1.00 33.52 H new ATOM 0 HH21 ARG A 91 -13.379 26.995 -9.004 1.00 52.14 H new ATOM 0 HH22 ARG A 91 -13.315 26.581 -7.288 1.00 52.14 H new ATOM 1452 N ILE A 92 -17.074 20.619 -11.755 1.00 23.33 N ATOM 1453 CA ILE A 92 -18.046 20.548 -12.839 1.00 43.32 C ATOM 1454 C ILE A 92 -18.785 19.214 -12.828 1.00 23.24 C ATOM 1455 O ILE A 92 -18.183 18.161 -12.619 1.00 64.54 O ATOM 1456 CB ILE A 92 -17.374 20.739 -14.212 1.00 14.21 C ATOM 1457 CG1 ILE A 92 -16.627 22.074 -14.256 1.00 25.03 C ATOM 1458 CG2 ILE A 92 -18.411 20.670 -15.323 1.00 0.15 C ATOM 1459 CD1 ILE A 92 -15.134 21.937 -14.045 1.00 60.31 C ATOM 0 H ILE A 92 -16.131 20.873 -12.050 1.00 23.33 H new ATOM 0 HA ILE A 92 -18.759 21.357 -12.677 1.00 43.32 H new ATOM 0 HB ILE A 92 -16.654 19.935 -14.363 1.00 14.21 H new ATOM 0 HG12 ILE A 92 -16.808 22.551 -15.219 1.00 25.03 H new ATOM 0 HG13 ILE A 92 -17.035 22.735 -13.491 1.00 25.03 H new ATOM 0 HG21 ILE A 92 -17.921 20.807 -16.287 1.00 0.15 H new ATOM 0 HG22 ILE A 92 -18.904 19.698 -15.301 1.00 0.15 H new ATOM 0 HG23 ILE A 92 -19.152 21.456 -15.178 1.00 0.15 H new ATOM 0 HD11 ILE A 92 -14.668 22.922 -14.089 1.00 60.31 H new ATOM 0 HD12 ILE A 92 -14.944 21.489 -13.070 1.00 60.31 H new ATOM 0 HD13 ILE A 92 -14.713 21.302 -14.824 1.00 60.31 H new ATOM 1471 N ASP A 93 -20.092 19.267 -13.058 1.00 14.15 N ATOM 1472 CA ASP A 93 -20.914 18.062 -13.077 1.00 42.43 C ATOM 1473 C ASP A 93 -21.641 17.923 -14.410 1.00 70.23 C ATOM 1474 O ASP A 93 -22.868 17.833 -14.454 1.00 73.44 O ATOM 1475 CB ASP A 93 -21.926 18.090 -11.931 1.00 11.13 C ATOM 1476 CG ASP A 93 -22.397 16.703 -11.540 1.00 24.44 C ATOM 1477 OD1 ASP A 93 -21.554 15.891 -11.102 1.00 51.00 O ATOM 1478 OD2 ASP A 93 -23.608 16.429 -11.671 1.00 23.13 O1- ATOM 0 H ASP A 93 -20.605 20.131 -13.234 1.00 14.15 H new ATOM 0 HA ASP A 93 -20.257 17.202 -12.949 1.00 42.43 H new ATOM 0 HB2 ASP A 93 -21.476 18.575 -11.065 1.00 11.13 H new ATOM 0 HB3 ASP A 93 -22.785 18.693 -12.224 1.00 11.13 H new ATOM 1483 N VAL A 94 -20.876 17.906 -15.497 1.00 51.04 N ATOM 1484 CA VAL A 94 -21.448 17.778 -16.832 1.00 43.02 C ATOM 1485 C VAL A 94 -22.260 16.495 -16.962 1.00 24.52 C ATOM 1486 O VAL A 94 -22.043 15.533 -16.225 1.00 74.54 O ATOM 1487 CB VAL A 94 -20.353 17.790 -17.916 1.00 1.24 C ATOM 1488 CG1 VAL A 94 -19.557 19.086 -17.856 1.00 40.32 C ATOM 1489 CG2 VAL A 94 -19.436 16.586 -17.760 1.00 15.13 C ATOM 0 H VAL A 94 -19.859 17.979 -15.479 1.00 51.04 H new ATOM 0 HA VAL A 94 -22.104 18.636 -16.978 1.00 43.02 H new ATOM 0 HB VAL A 94 -20.833 17.730 -18.893 1.00 1.24 H new ATOM 0 HG11 VAL A 94 -18.788 19.077 -18.629 1.00 40.32 H new ATOM 0 HG12 VAL A 94 -20.225 19.931 -18.019 1.00 40.32 H new ATOM 0 HG13 VAL A 94 -19.087 19.179 -16.877 1.00 40.32 H new ATOM 0 HG21 VAL A 94 -18.669 16.610 -18.534 1.00 15.13 H new ATOM 0 HG22 VAL A 94 -18.963 16.614 -16.779 1.00 15.13 H new ATOM 0 HG23 VAL A 94 -20.019 15.670 -17.856 1.00 15.13 H new ATOM 1499 N LYS A 95 -23.197 16.486 -17.904 1.00 3.35 N ATOM 1500 CA LYS A 95 -24.042 15.319 -18.132 1.00 42.43 C ATOM 1501 C LYS A 95 -23.392 14.364 -19.127 1.00 32.44 C ATOM 1502 O LYS A 95 -23.402 13.148 -18.931 1.00 71.33 O ATOM 1503 CB LYS A 95 -25.416 15.754 -18.650 1.00 4.05 C ATOM 1504 CG LYS A 95 -26.526 15.606 -17.623 1.00 3.31 C ATOM 1505 CD LYS A 95 -27.592 16.675 -17.797 1.00 40.04 C ATOM 1506 CE LYS A 95 -28.989 16.106 -17.598 1.00 41.41 C ATOM 1507 NZ LYS A 95 -29.522 15.496 -18.847 1.00 74.31 N1+ ATOM 0 H LYS A 95 -23.391 17.274 -18.522 1.00 3.35 H new ATOM 0 HA LYS A 95 -24.165 14.798 -17.182 1.00 42.43 H new ATOM 0 HB2 LYS A 95 -25.363 16.795 -18.968 1.00 4.05 H new ATOM 0 HB3 LYS A 95 -25.667 15.164 -19.532 1.00 4.05 H new ATOM 0 HG2 LYS A 95 -26.980 14.619 -17.716 1.00 3.31 H new ATOM 0 HG3 LYS A 95 -26.105 15.670 -16.619 1.00 3.31 H new ATOM 0 HD2 LYS A 95 -27.421 17.481 -17.083 1.00 40.04 H new ATOM 0 HD3 LYS A 95 -27.514 17.110 -18.793 1.00 40.04 H new ATOM 0 HE2 LYS A 95 -28.966 15.355 -16.808 1.00 41.41 H new ATOM 0 HE3 LYS A 95 -29.660 16.898 -17.266 1.00 41.41 H new ATOM 0 HZ1 LYS A 95 -30.475 15.120 -18.670 1.00 74.31 H new ATOM 0 HZ2 LYS A 95 -29.568 16.218 -19.594 1.00 74.31 H new ATOM 0 HZ3 LYS A 95 -28.896 14.723 -19.151 1.00 74.31 H new ATOM 1521 N ASP A 96 -22.826 14.920 -20.193 1.00 75.21 N ATOM 1522 CA ASP A 96 -22.169 14.115 -21.216 1.00 50.10 C ATOM 1523 C ASP A 96 -20.720 14.553 -21.404 1.00 44.42 C ATOM 1524 O ASP A 96 -20.272 15.530 -20.801 1.00 44.14 O ATOM 1525 CB ASP A 96 -22.924 14.224 -22.543 1.00 4.24 C ATOM 1526 CG ASP A 96 -23.499 15.608 -22.770 1.00 33.54 C ATOM 1527 OD1 ASP A 96 -22.711 16.572 -22.857 1.00 2.35 O ATOM 1528 OD2 ASP A 96 -24.739 15.726 -22.861 1.00 11.33 O1- ATOM 0 H ASP A 96 -22.809 15.924 -20.371 1.00 75.21 H new ATOM 0 HA ASP A 96 -22.176 13.076 -20.887 1.00 50.10 H new ATOM 0 HB2 ASP A 96 -22.250 13.975 -23.363 1.00 4.24 H new ATOM 0 HB3 ASP A 96 -23.731 13.491 -22.560 1.00 4.24 H new ATOM 1533 N THR A 97 -19.990 13.824 -22.243 1.00 12.51 N ATOM 1534 CA THR A 97 -18.591 14.137 -22.509 1.00 35.31 C ATOM 1535 C THR A 97 -18.458 15.431 -23.301 1.00 43.00 C ATOM 1536 O THR A 97 -17.540 16.220 -23.072 1.00 22.43 O ATOM 1537 CB THR A 97 -17.901 12.999 -23.284 1.00 3.13 C ATOM 1538 OG1 THR A 97 -18.167 11.742 -22.653 1.00 34.23 O ATOM 1539 CG2 THR A 97 -16.398 13.227 -23.355 1.00 53.11 C ATOM 0 H THR A 97 -20.344 13.013 -22.750 1.00 12.51 H new ATOM 0 HA THR A 97 -18.103 14.257 -21.542 1.00 35.31 H new ATOM 0 HB THR A 97 -18.301 12.987 -24.298 1.00 3.13 H new ATOM 0 HG1 THR A 97 -19.122 11.677 -22.444 1.00 34.23 H new ATOM 0 HG21 THR A 97 -15.932 12.411 -23.907 1.00 53.11 H new ATOM 0 HG22 THR A 97 -16.197 14.170 -23.863 1.00 53.11 H new ATOM 0 HG23 THR A 97 -15.987 13.264 -22.346 1.00 53.11 H new ATOM 1547 N LYS A 98 -19.379 15.647 -24.233 1.00 50.22 N ATOM 1548 CA LYS A 98 -19.366 16.849 -25.059 1.00 63.33 C ATOM 1549 C LYS A 98 -19.372 18.104 -24.194 1.00 0.11 C ATOM 1550 O LYS A 98 -18.524 18.982 -24.353 1.00 55.54 O ATOM 1551 CB LYS A 98 -20.573 16.859 -26.000 1.00 62.52 C ATOM 1552 CG LYS A 98 -20.219 16.564 -27.447 1.00 43.03 C ATOM 1553 CD LYS A 98 -19.583 17.767 -28.123 1.00 40.50 C ATOM 1554 CE LYS A 98 -20.444 18.287 -29.263 1.00 75.15 C ATOM 1555 NZ LYS A 98 -20.078 17.662 -30.564 1.00 60.41 N1+ ATOM 0 H LYS A 98 -20.145 15.005 -24.436 1.00 50.22 H new ATOM 0 HA LYS A 98 -18.451 16.842 -25.651 1.00 63.33 H new ATOM 0 HB2 LYS A 98 -21.298 16.122 -25.655 1.00 62.52 H new ATOM 0 HB3 LYS A 98 -21.058 17.834 -25.945 1.00 62.52 H new ATOM 0 HG2 LYS A 98 -19.534 15.717 -27.489 1.00 43.03 H new ATOM 0 HG3 LYS A 98 -21.118 16.274 -27.990 1.00 43.03 H new ATOM 0 HD2 LYS A 98 -19.431 18.559 -27.390 1.00 40.50 H new ATOM 0 HD3 LYS A 98 -18.599 17.493 -28.505 1.00 40.50 H new ATOM 0 HE2 LYS A 98 -21.493 18.087 -29.046 1.00 75.15 H new ATOM 0 HE3 LYS A 98 -20.335 19.369 -29.336 1.00 75.15 H new ATOM 0 HZ1 LYS A 98 -20.688 18.043 -31.316 1.00 60.41 H new ATOM 0 HZ2 LYS A 98 -19.084 17.874 -30.784 1.00 60.41 H new ATOM 0 HZ3 LYS A 98 -20.207 16.632 -30.503 1.00 60.41 H new ATOM 1569 N GLU A 99 -20.332 18.181 -23.278 1.00 12.43 N ATOM 1570 CA GLU A 99 -20.445 19.329 -22.386 1.00 53.55 C ATOM 1571 C GLU A 99 -19.149 19.549 -21.612 1.00 51.21 C ATOM 1572 O GLU A 99 -18.737 20.685 -21.381 1.00 2.43 O ATOM 1573 CB GLU A 99 -21.608 19.133 -21.411 1.00 20.24 C ATOM 1574 CG GLU A 99 -21.952 20.381 -20.614 1.00 25.42 C ATOM 1575 CD GLU A 99 -22.726 21.398 -21.428 1.00 35.41 C ATOM 1576 OE1 GLU A 99 -22.614 21.373 -22.672 1.00 22.25 O ATOM 1577 OE2 GLU A 99 -23.447 22.219 -20.822 1.00 21.01 O1- ATOM 0 H GLU A 99 -21.042 17.463 -23.134 1.00 12.43 H new ATOM 0 HA GLU A 99 -20.636 20.212 -22.996 1.00 53.55 H new ATOM 0 HB2 GLU A 99 -22.489 18.814 -21.969 1.00 20.24 H new ATOM 0 HB3 GLU A 99 -21.360 18.328 -20.720 1.00 20.24 H new ATOM 0 HG2 GLU A 99 -22.538 20.099 -19.740 1.00 25.42 H new ATOM 0 HG3 GLU A 99 -21.033 20.838 -20.247 1.00 25.42 H new ATOM 1584 N ALA A 100 -18.512 18.452 -21.214 1.00 51.40 N ATOM 1585 CA ALA A 100 -17.263 18.524 -20.467 1.00 4.31 C ATOM 1586 C ALA A 100 -16.177 19.224 -21.279 1.00 12.24 C ATOM 1587 O ALA A 100 -15.239 19.794 -20.719 1.00 32.42 O ATOM 1588 CB ALA A 100 -16.807 17.129 -20.067 1.00 12.15 C ATOM 0 H ALA A 100 -18.841 17.504 -21.397 1.00 51.40 H new ATOM 0 HA ALA A 100 -17.441 19.110 -19.565 1.00 4.31 H new ATOM 0 HB1 ALA A 100 -15.873 17.197 -19.510 1.00 12.15 H new ATOM 0 HB2 ALA A 100 -17.569 16.662 -19.443 1.00 12.15 H new ATOM 0 HB3 ALA A 100 -16.652 16.526 -20.962 1.00 12.15 H new ATOM 1594 N LEU A 101 -16.311 19.178 -22.599 1.00 65.32 N ATOM 1595 CA LEU A 101 -15.341 19.807 -23.489 1.00 25.30 C ATOM 1596 C LEU A 101 -15.578 21.311 -23.576 1.00 3.25 C ATOM 1597 O LEU A 101 -14.641 22.105 -23.473 1.00 71.44 O ATOM 1598 CB LEU A 101 -15.420 19.185 -24.884 1.00 42.34 C ATOM 1599 CG LEU A 101 -15.252 17.667 -24.952 1.00 65.23 C ATOM 1600 CD1 LEU A 101 -15.917 17.112 -26.203 1.00 33.00 C ATOM 1601 CD2 LEU A 101 -13.777 17.291 -24.920 1.00 52.23 C ATOM 0 H LEU A 101 -17.082 18.712 -23.077 1.00 65.32 H new ATOM 0 HA LEU A 101 -14.345 19.638 -23.079 1.00 25.30 H new ATOM 0 HB2 LEU A 101 -16.384 19.444 -25.321 1.00 42.34 H new ATOM 0 HB3 LEU A 101 -14.653 19.644 -25.509 1.00 42.34 H new ATOM 0 HG LEU A 101 -15.738 17.228 -24.081 1.00 65.23 H new ATOM 0 HD11 LEU A 101 -15.787 16.030 -26.235 1.00 33.00 H new ATOM 0 HD12 LEU A 101 -16.981 17.350 -26.186 1.00 33.00 H new ATOM 0 HD13 LEU A 101 -15.460 17.558 -27.086 1.00 33.00 H new ATOM 0 HD21 LEU A 101 -13.677 16.207 -24.969 1.00 52.23 H new ATOM 0 HD22 LEU A 101 -13.268 17.742 -25.772 1.00 52.23 H new ATOM 0 HD23 LEU A 101 -13.329 17.655 -23.996 1.00 52.23 H new ATOM 1613 N ASP A 102 -16.835 21.697 -23.763 1.00 51.13 N ATOM 1614 CA ASP A 102 -17.196 23.107 -23.860 1.00 61.20 C ATOM 1615 C ASP A 102 -16.823 23.852 -22.583 1.00 32.12 C ATOM 1616 O ASP A 102 -16.490 25.037 -22.617 1.00 12.24 O ATOM 1617 CB ASP A 102 -18.694 23.254 -24.133 1.00 25.15 C ATOM 1618 CG ASP A 102 -19.035 24.574 -24.795 1.00 2.51 C ATOM 1619 OD1 ASP A 102 -18.139 25.440 -24.888 1.00 74.11 O ATOM 1620 OD2 ASP A 102 -20.196 24.742 -25.220 1.00 54.35 O1- ATOM 0 H ASP A 102 -17.622 21.053 -23.851 1.00 51.13 H new ATOM 0 HA ASP A 102 -16.639 23.543 -24.689 1.00 61.20 H new ATOM 0 HB2 ASP A 102 -19.026 22.435 -24.771 1.00 25.15 H new ATOM 0 HB3 ASP A 102 -19.241 23.170 -23.194 1.00 25.15 H new ATOM 1625 N LYS A 103 -16.884 23.151 -21.455 1.00 65.35 N ATOM 1626 CA LYS A 103 -16.552 23.745 -20.166 1.00 55.12 C ATOM 1627 C LYS A 103 -15.054 24.010 -20.056 1.00 72.34 C ATOM 1628 O LYS A 103 -14.632 25.129 -19.763 1.00 52.23 O ATOM 1629 CB LYS A 103 -17.003 22.827 -19.027 1.00 71.20 C ATOM 1630 CG LYS A 103 -18.067 23.441 -18.135 1.00 13.35 C ATOM 1631 CD LYS A 103 -19.410 23.519 -18.841 1.00 15.44 C ATOM 1632 CE LYS A 103 -20.031 24.901 -18.705 1.00 62.21 C ATOM 1633 NZ LYS A 103 -20.408 25.205 -17.297 1.00 75.14 N1+ ATOM 0 H LYS A 103 -17.161 22.170 -21.408 1.00 65.35 H new ATOM 0 HA LYS A 103 -17.077 24.697 -20.088 1.00 55.12 H new ATOM 0 HB2 LYS A 103 -17.387 21.899 -19.450 1.00 71.20 H new ATOM 0 HB3 LYS A 103 -16.137 22.565 -18.418 1.00 71.20 H new ATOM 0 HG2 LYS A 103 -18.167 22.848 -17.226 1.00 13.35 H new ATOM 0 HG3 LYS A 103 -17.756 24.441 -17.831 1.00 13.35 H new ATOM 0 HD2 LYS A 103 -19.282 23.279 -19.896 1.00 15.44 H new ATOM 0 HD3 LYS A 103 -20.086 22.772 -18.424 1.00 15.44 H new ATOM 0 HE2 LYS A 103 -19.327 25.652 -19.062 1.00 62.21 H new ATOM 0 HE3 LYS A 103 -20.915 24.966 -19.339 1.00 62.21 H new ATOM 0 HZ1 LYS A 103 -20.843 26.149 -17.250 1.00 75.14 H new ATOM 0 HZ2 LYS A 103 -21.087 24.494 -16.958 1.00 75.14 H new ATOM 0 HZ3 LYS A 103 -19.558 25.185 -16.698 1.00 75.14 H new ATOM 1647 N ILE A 104 -14.256 22.975 -20.296 1.00 22.30 N ATOM 1648 CA ILE A 104 -12.806 23.097 -20.227 1.00 42.41 C ATOM 1649 C ILE A 104 -12.285 24.064 -21.285 1.00 62.35 C ATOM 1650 O ILE A 104 -11.277 24.740 -21.080 1.00 20.31 O ATOM 1651 CB ILE A 104 -12.115 21.732 -20.411 1.00 54.45 C ATOM 1652 CG1 ILE A 104 -12.609 20.742 -19.355 1.00 54.10 C ATOM 1653 CG2 ILE A 104 -10.604 21.889 -20.334 1.00 31.31 C ATOM 1654 CD1 ILE A 104 -12.223 19.308 -19.644 1.00 62.32 C ATOM 0 H ILE A 104 -14.590 22.043 -20.540 1.00 22.30 H new ATOM 0 HA ILE A 104 -12.569 23.484 -19.236 1.00 42.41 H new ATOM 0 HB ILE A 104 -12.369 21.341 -21.396 1.00 54.45 H new ATOM 0 HG12 ILE A 104 -12.207 21.029 -18.383 1.00 54.10 H new ATOM 0 HG13 ILE A 104 -13.695 20.810 -19.284 1.00 54.10 H new ATOM 0 HG21 ILE A 104 -10.130 20.916 -20.466 1.00 31.31 H new ATOM 0 HG22 ILE A 104 -10.268 22.566 -21.120 1.00 31.31 H new ATOM 0 HG23 ILE A 104 -10.330 22.298 -19.361 1.00 31.31 H new ATOM 0 HD11 ILE A 104 -12.606 18.662 -18.854 1.00 62.32 H new ATOM 0 HD12 ILE A 104 -12.647 19.003 -20.601 1.00 62.32 H new ATOM 0 HD13 ILE A 104 -11.137 19.225 -19.686 1.00 62.32 H new ATOM 1666 N GLU A 105 -12.980 24.125 -22.417 1.00 12.10 N ATOM 1667 CA GLU A 105 -12.588 25.011 -23.507 1.00 52.05 C ATOM 1668 C GLU A 105 -12.909 26.465 -23.170 1.00 31.32 C ATOM 1669 O GLU A 105 -12.082 27.354 -23.365 1.00 23.52 O ATOM 1670 CB GLU A 105 -13.297 24.608 -24.801 1.00 31.31 C ATOM 1671 CG GLU A 105 -12.574 25.061 -26.059 1.00 55.12 C ATOM 1672 CD GLU A 105 -13.527 25.446 -27.173 1.00 50.34 C ATOM 1673 OE1 GLU A 105 -14.358 26.354 -26.957 1.00 64.11 O1- ATOM 1674 OE2 GLU A 105 -13.442 24.840 -28.261 1.00 41.43 O ATOM 0 H GLU A 105 -13.817 23.572 -22.603 1.00 12.10 H new ATOM 0 HA GLU A 105 -11.511 24.918 -23.647 1.00 52.05 H new ATOM 0 HB2 GLU A 105 -13.404 23.523 -24.824 1.00 31.31 H new ATOM 0 HB3 GLU A 105 -14.303 25.027 -24.800 1.00 31.31 H new ATOM 0 HG2 GLU A 105 -11.937 25.913 -25.821 1.00 55.12 H new ATOM 0 HG3 GLU A 105 -11.920 24.261 -26.406 1.00 55.12 H new