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 86 TYR OH : rot 180:sc= -0.276 USER MOD Set 1.2: A 90 GLN : amide:sc= -1.31 K(o=-1.6,f=-0.81) USER MOD Set 2.1: A 29 TYR OH : rot 177:sc= 1.22 USER MOD Set 2.2: A 97 THR OG1 : rot 114:sc= 1.17 USER MOD Single : A 9 SER OG : rot 180:sc= -0.189 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= -0.111 X(o=-0.11,f=0.12) 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= -0.252 K(o=-0.25,f=-5.3!) USER MOD Single : A 38 SER OG : rot -74:sc= 0.499 USER MOD Single : A 47 ASN : amide:sc= -0.381 X(o=-0.38,f=-0.4) USER MOD Single : A 53 THR OG1 : rot 170:sc= 0.566 USER MOD Single : A 54 SER OG : rot -30:sc= -0.521 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.334 USER MOD Single : A 59 GLN : amide:sc= -0.0149 X(o=-0.015,f=-0.015) USER MOD Single : A 63 GLN : amide:sc= -0.376 K(o=-0.38,f=-2.9!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 80:sc= 1.27 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.087 USER MOD Single : A 80 ASN : amide:sc= -0.11 K(o=-0.11,f=-1.8!) USER MOD Single : A 81 THR OG1 : rot 77:sc= 0.0418 USER MOD Single : A 87 CYS SG : rot 80:sc= -0.673 USER MOD Single : A 89 HIS : no HE2:sc= -0.686 K(o=0.034,f=-4.5!) 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 -8.812 5.412 -9.045 1.00 54.40 N ATOM 64 CA VAL A 7 -9.051 6.711 -9.662 1.00 13.41 C ATOM 65 C VAL A 7 -10.253 7.405 -9.032 1.00 55.43 C ATOM 66 O VAL A 7 -10.106 8.391 -8.310 1.00 60.24 O ATOM 67 CB VAL A 7 -9.287 6.575 -11.179 1.00 60.43 C ATOM 68 CG1 VAL A 7 -9.553 7.938 -11.801 1.00 74.54 C ATOM 69 CG2 VAL A 7 -8.097 5.900 -11.844 1.00 72.22 C ATOM 0 HA VAL A 7 -8.158 7.313 -9.492 1.00 13.41 H new ATOM 0 HB VAL A 7 -10.166 5.951 -11.339 1.00 60.43 H new ATOM 0 HG11 VAL A 7 -9.717 7.823 -12.872 1.00 74.54 H new ATOM 0 HG12 VAL A 7 -10.438 8.380 -11.343 1.00 74.54 H new ATOM 0 HG13 VAL A 7 -8.694 8.588 -11.633 1.00 74.54 H new ATOM 0 HG21 VAL A 7 -8.280 5.812 -12.915 1.00 72.22 H new ATOM 0 HG22 VAL A 7 -7.200 6.497 -11.677 1.00 72.22 H new ATOM 0 HG23 VAL A 7 -7.957 4.907 -11.417 1.00 72.22 H new ATOM 79 N LEU A 8 -11.443 6.885 -9.311 1.00 1.32 N ATOM 80 CA LEU A 8 -12.673 7.454 -8.771 1.00 61.43 C ATOM 81 C LEU A 8 -13.060 6.774 -7.462 1.00 71.21 C ATOM 82 O LEU A 8 -12.841 5.575 -7.286 1.00 30.14 O ATOM 83 CB LEU A 8 -13.810 7.319 -9.786 1.00 0.14 C ATOM 84 CG LEU A 8 -13.779 8.293 -10.963 1.00 73.43 C ATOM 85 CD1 LEU A 8 -14.871 7.954 -11.966 1.00 33.14 C ATOM 86 CD2 LEU A 8 -13.927 9.726 -10.474 1.00 54.31 C ATOM 0 H LEU A 8 -11.582 6.070 -9.908 1.00 1.32 H new ATOM 0 HA LEU A 8 -12.497 8.511 -8.571 1.00 61.43 H new ATOM 0 HB2 LEU A 8 -13.799 6.303 -10.181 1.00 0.14 H new ATOM 0 HB3 LEU A 8 -14.756 7.446 -9.260 1.00 0.14 H new ATOM 0 HG LEU A 8 -12.815 8.199 -11.462 1.00 73.43 H new ATOM 0 HD11 LEU A 8 -14.833 8.658 -12.797 1.00 33.14 H new ATOM 0 HD12 LEU A 8 -14.719 6.942 -12.341 1.00 33.14 H new ATOM 0 HD13 LEU A 8 -15.844 8.018 -11.480 1.00 33.14 H new ATOM 0 HD21 LEU A 8 -13.903 10.406 -11.326 1.00 54.31 H new ATOM 0 HD22 LEU A 8 -14.876 9.835 -9.950 1.00 54.31 H new ATOM 0 HD23 LEU A 8 -13.108 9.965 -9.796 1.00 54.31 H new ATOM 98 N SER A 9 -13.637 7.546 -6.547 1.00 41.43 N ATOM 99 CA SER A 9 -14.054 7.018 -5.253 1.00 55.22 C ATOM 100 C SER A 9 -15.485 6.495 -5.316 1.00 4.22 C ATOM 101 O SER A 9 -16.087 6.423 -6.387 1.00 74.43 O ATOM 102 CB SER A 9 -13.940 8.099 -4.177 1.00 3.11 C ATOM 103 OG SER A 9 -15.154 8.819 -4.047 1.00 54.54 O ATOM 0 H SER A 9 -13.827 8.540 -6.678 1.00 41.43 H new ATOM 0 HA SER A 9 -13.394 6.189 -4.996 1.00 55.22 H new ATOM 0 HB2 SER A 9 -13.681 7.641 -3.222 1.00 3.11 H new ATOM 0 HB3 SER A 9 -13.132 8.785 -4.430 1.00 3.11 H new ATOM 0 HG SER A 9 -15.056 9.503 -3.352 1.00 54.54 H new ATOM 109 N GLY A 10 -16.026 6.130 -4.157 1.00 42.24 N ATOM 110 CA GLY A 10 -17.383 5.618 -4.101 1.00 72.20 C ATOM 111 C GLY A 10 -18.403 6.620 -4.602 1.00 65.51 C ATOM 112 O GLY A 10 -19.223 6.305 -5.462 1.00 65.55 O ATOM 0 H GLY A 10 -15.549 6.180 -3.257 1.00 42.24 H new ATOM 0 HA2 GLY A 10 -17.449 4.708 -4.697 1.00 72.20 H new ATOM 0 HA3 GLY A 10 -17.622 5.344 -3.074 1.00 72.20 H new ATOM 116 N GLY A 11 -18.353 7.834 -4.060 1.00 71.42 N ATOM 117 CA GLY A 11 -19.287 8.868 -4.469 1.00 33.31 C ATOM 118 C GLY A 11 -19.123 9.254 -5.925 1.00 54.54 C ATOM 119 O GLY A 11 -20.107 9.495 -6.624 1.00 12.31 O ATOM 0 H GLY A 11 -17.683 8.120 -3.346 1.00 71.42 H new ATOM 0 HA2 GLY A 11 -20.306 8.520 -4.301 1.00 33.31 H new ATOM 0 HA3 GLY A 11 -19.145 9.750 -3.844 1.00 33.31 H new ATOM 123 N GLU A 12 -17.876 9.314 -6.385 1.00 23.35 N ATOM 124 CA GLU A 12 -17.588 9.677 -7.767 1.00 1.22 C ATOM 125 C GLU A 12 -18.028 8.570 -8.721 1.00 43.44 C ATOM 126 O GLU A 12 -18.516 8.840 -9.820 1.00 41.40 O ATOM 127 CB GLU A 12 -16.095 9.954 -7.945 1.00 33.44 C ATOM 128 CG GLU A 12 -15.508 10.843 -6.861 1.00 33.23 C ATOM 129 CD GLU A 12 -14.053 11.189 -7.115 1.00 23.42 C ATOM 130 OE1 GLU A 12 -13.179 10.362 -6.780 1.00 4.52 O ATOM 131 OE2 GLU A 12 -13.789 12.288 -7.646 1.00 14.33 O1- ATOM 0 H GLU A 12 -17.050 9.116 -5.820 1.00 23.35 H new ATOM 0 HA GLU A 12 -18.148 10.582 -8.003 1.00 1.22 H new ATOM 0 HB2 GLU A 12 -15.557 9.006 -7.957 1.00 33.44 H new ATOM 0 HB3 GLU A 12 -15.934 10.424 -8.915 1.00 33.44 H new ATOM 0 HG2 GLU A 12 -16.090 11.762 -6.795 1.00 33.23 H new ATOM 0 HG3 GLU A 12 -15.595 10.341 -5.898 1.00 33.23 H new ATOM 138 N LEU A 13 -17.851 7.324 -8.296 1.00 71.23 N ATOM 139 CA LEU A 13 -18.228 6.176 -9.113 1.00 12.24 C ATOM 140 C LEU A 13 -19.701 6.247 -9.505 1.00 10.32 C ATOM 141 O LEU A 13 -20.063 5.973 -10.649 1.00 64.34 O ATOM 142 CB LEU A 13 -17.952 4.875 -8.357 1.00 24.40 C ATOM 143 CG LEU A 13 -17.997 3.593 -9.189 1.00 34.34 C ATOM 144 CD1 LEU A 13 -16.728 3.449 -10.016 1.00 23.20 C ATOM 145 CD2 LEU A 13 -18.189 2.380 -8.290 1.00 63.02 C ATOM 0 H LEU A 13 -17.449 7.083 -7.390 1.00 71.23 H new ATOM 0 HA LEU A 13 -17.628 6.195 -10.023 1.00 12.24 H new ATOM 0 HB2 LEU A 13 -16.968 4.949 -7.894 1.00 24.40 H new ATOM 0 HB3 LEU A 13 -18.679 4.786 -7.550 1.00 24.40 H new ATOM 0 HG LEU A 13 -18.846 3.654 -9.870 1.00 34.34 H new ATOM 0 HD11 LEU A 13 -16.778 2.531 -10.602 1.00 23.20 H new ATOM 0 HD12 LEU A 13 -16.632 4.303 -10.687 1.00 23.20 H new ATOM 0 HD13 LEU A 13 -15.864 3.410 -9.353 1.00 23.20 H new ATOM 0 HD21 LEU A 13 -18.219 1.477 -8.899 1.00 63.02 H new ATOM 0 HD22 LEU A 13 -17.360 2.315 -7.585 1.00 63.02 H new ATOM 0 HD23 LEU A 13 -19.126 2.478 -7.741 1.00 63.02 H new ATOM 157 N ASP A 14 -20.545 6.617 -8.548 1.00 52.42 N ATOM 158 CA ASP A 14 -21.978 6.728 -8.794 1.00 0.44 C ATOM 159 C ASP A 14 -22.259 7.676 -9.955 1.00 51.24 C ATOM 160 O ASP A 14 -22.913 7.305 -10.930 1.00 21.13 O ATOM 161 CB ASP A 14 -22.696 7.217 -7.535 1.00 4.32 C ATOM 162 CG ASP A 14 -24.143 6.763 -7.482 1.00 33.43 C ATOM 163 OD1 ASP A 14 -24.763 6.630 -8.557 1.00 21.22 O1- ATOM 164 OD2 ASP A 14 -24.654 6.543 -6.363 1.00 0.41 O ATOM 0 H ASP A 14 -20.262 6.845 -7.595 1.00 52.42 H new ATOM 0 HA ASP A 14 -22.354 5.739 -9.057 1.00 0.44 H new ATOM 0 HB2 ASP A 14 -22.170 6.849 -6.654 1.00 4.32 H new ATOM 0 HB3 ASP A 14 -22.658 8.306 -7.498 1.00 4.32 H new ATOM 169 N LYS A 15 -21.760 8.902 -9.845 1.00 64.42 N ATOM 170 CA LYS A 15 -21.956 9.905 -10.885 1.00 43.01 C ATOM 171 C LYS A 15 -21.303 9.469 -12.193 1.00 32.14 C ATOM 172 O LYS A 15 -21.876 9.636 -13.269 1.00 51.42 O ATOM 173 CB LYS A 15 -21.380 11.251 -10.439 1.00 53.34 C ATOM 174 CG LYS A 15 -22.419 12.196 -9.860 1.00 50.25 C ATOM 175 CD LYS A 15 -22.547 12.029 -8.355 1.00 11.23 C ATOM 176 CE LYS A 15 -23.970 12.288 -7.885 1.00 51.21 C ATOM 177 NZ LYS A 15 -24.041 12.470 -6.408 1.00 51.10 N1+ ATOM 0 H LYS A 15 -21.216 9.226 -9.045 1.00 64.42 H new ATOM 0 HA LYS A 15 -23.028 10.013 -11.053 1.00 43.01 H new ATOM 0 HB2 LYS A 15 -20.605 11.076 -9.693 1.00 53.34 H new ATOM 0 HB3 LYS A 15 -20.899 11.731 -11.291 1.00 53.34 H new ATOM 0 HG2 LYS A 15 -22.145 13.225 -10.091 1.00 50.25 H new ATOM 0 HG3 LYS A 15 -23.384 12.010 -10.331 1.00 50.25 H new ATOM 0 HD2 LYS A 15 -22.248 11.020 -8.073 1.00 11.23 H new ATOM 0 HD3 LYS A 15 -21.866 12.716 -7.852 1.00 11.23 H new ATOM 0 HE2 LYS A 15 -24.360 13.178 -8.380 1.00 51.21 H new ATOM 0 HE3 LYS A 15 -24.607 11.454 -8.179 1.00 51.21 H new ATOM 0 HZ1 LYS A 15 -25.027 12.644 -6.127 1.00 51.10 H new ATOM 0 HZ2 LYS A 15 -23.693 11.612 -5.935 1.00 51.10 H new ATOM 0 HZ3 LYS A 15 -23.453 13.281 -6.130 1.00 51.10 H new ATOM 191 N TRP A 16 -20.104 8.907 -12.090 1.00 34.23 N ATOM 192 CA TRP A 16 -19.374 8.444 -13.265 1.00 44.14 C ATOM 193 C TRP A 16 -20.242 7.526 -14.119 1.00 24.31 C ATOM 194 O TRP A 16 -20.311 7.679 -15.338 1.00 23.55 O ATOM 195 CB TRP A 16 -18.098 7.714 -12.843 1.00 71.03 C ATOM 196 CG TRP A 16 -17.383 7.059 -13.987 1.00 21.54 C ATOM 197 CD1 TRP A 16 -17.413 5.735 -14.322 1.00 63.43 C ATOM 198 CD2 TRP A 16 -16.530 7.699 -14.941 1.00 53.24 C ATOM 199 NE1 TRP A 16 -16.631 5.514 -15.429 1.00 72.44 N ATOM 200 CE2 TRP A 16 -16.078 6.702 -15.829 1.00 43.23 C ATOM 201 CE3 TRP A 16 -16.105 9.016 -15.136 1.00 43.41 C ATOM 202 CZ2 TRP A 16 -15.223 6.983 -16.891 1.00 45.24 C ATOM 203 CZ3 TRP A 16 -15.257 9.293 -16.190 1.00 72.50 C ATOM 204 CH2 TRP A 16 -14.823 8.282 -17.057 1.00 13.32 C ATOM 0 H TRP A 16 -19.617 8.761 -11.206 1.00 34.23 H new ATOM 0 HA TRP A 16 -19.105 9.316 -13.862 1.00 44.14 H new ATOM 0 HB2 TRP A 16 -17.425 8.423 -12.361 1.00 71.03 H new ATOM 0 HB3 TRP A 16 -18.350 6.957 -12.100 1.00 71.03 H new ATOM 0 HD1 TRP A 16 -17.969 4.975 -13.794 1.00 63.43 H new ATOM 0 HE1 TRP A 16 -16.485 4.611 -15.881 1.00 72.44 H new ATOM 0 HE3 TRP A 16 -16.434 9.803 -14.474 1.00 43.41 H new ATOM 0 HZ2 TRP A 16 -14.887 6.204 -17.560 1.00 45.24 H new ATOM 0 HZ3 TRP A 16 -14.922 10.307 -16.349 1.00 72.50 H new ATOM 0 HH2 TRP A 16 -14.160 8.532 -17.872 1.00 13.32 H new ATOM 215 N GLU A 17 -20.903 6.572 -13.469 1.00 50.51 N ATOM 216 CA GLU A 17 -21.766 5.629 -14.171 1.00 44.15 C ATOM 217 C GLU A 17 -22.942 6.350 -14.824 1.00 41.22 C ATOM 218 O GLU A 17 -23.499 5.881 -15.817 1.00 72.25 O ATOM 219 CB GLU A 17 -22.281 4.560 -13.207 1.00 23.24 C ATOM 220 CG GLU A 17 -21.227 3.540 -12.808 1.00 43.51 C ATOM 221 CD GLU A 17 -21.820 2.329 -12.114 1.00 5.31 C ATOM 222 OE1 GLU A 17 -22.638 1.625 -12.743 1.00 51.52 O1- ATOM 223 OE2 GLU A 17 -21.467 2.086 -10.941 1.00 15.41 O ATOM 0 H GLU A 17 -20.857 6.432 -12.460 1.00 50.51 H new ATOM 0 HA GLU A 17 -21.177 5.149 -14.953 1.00 44.15 H new ATOM 0 HB2 GLU A 17 -22.662 5.046 -12.309 1.00 23.24 H new ATOM 0 HB3 GLU A 17 -23.121 4.040 -13.669 1.00 23.24 H new ATOM 0 HG2 GLU A 17 -20.686 3.216 -13.697 1.00 43.51 H new ATOM 0 HG3 GLU A 17 -20.501 4.013 -12.147 1.00 43.51 H new ATOM 230 N LYS A 18 -23.315 7.494 -14.260 1.00 32.14 N ATOM 231 CA LYS A 18 -24.423 8.281 -14.786 1.00 24.43 C ATOM 232 C LYS A 18 -23.997 9.062 -16.025 1.00 12.23 C ATOM 233 O LYS A 18 -24.722 9.109 -17.019 1.00 30.00 O ATOM 234 CB LYS A 18 -24.942 9.246 -13.716 1.00 44.31 C ATOM 235 CG LYS A 18 -26.377 8.976 -13.299 1.00 3.24 C ATOM 236 CD LYS A 18 -26.895 10.050 -12.357 1.00 63.00 C ATOM 237 CE LYS A 18 -27.784 11.047 -13.084 1.00 45.44 C ATOM 238 NZ LYS A 18 -28.692 11.767 -12.148 1.00 62.23 N1+ ATOM 0 H LYS A 18 -22.865 7.897 -13.438 1.00 32.14 H new ATOM 0 HA LYS A 18 -25.222 7.595 -15.068 1.00 24.43 H new ATOM 0 HB2 LYS A 18 -24.299 9.182 -12.838 1.00 44.31 H new ATOM 0 HB3 LYS A 18 -24.867 10.266 -14.092 1.00 44.31 H new ATOM 0 HG2 LYS A 18 -27.012 8.930 -14.184 1.00 3.24 H new ATOM 0 HG3 LYS A 18 -26.438 8.003 -12.812 1.00 3.24 H new ATOM 0 HD2 LYS A 18 -27.456 9.585 -11.546 1.00 63.00 H new ATOM 0 HD3 LYS A 18 -26.054 10.574 -11.903 1.00 63.00 H new ATOM 0 HE2 LYS A 18 -27.162 11.769 -13.614 1.00 45.44 H new ATOM 0 HE3 LYS A 18 -28.377 10.525 -13.835 1.00 45.44 H new ATOM 0 HZ1 LYS A 18 -29.281 12.437 -12.682 1.00 62.23 H new ATOM 0 HZ2 LYS A 18 -29.303 11.081 -11.661 1.00 62.23 H new ATOM 0 HZ3 LYS A 18 -28.127 12.286 -11.447 1.00 62.23 H new ATOM 252 N ILE A 19 -22.817 9.668 -15.959 1.00 64.43 N ATOM 253 CA ILE A 19 -22.294 10.444 -17.077 1.00 44.44 C ATOM 254 C ILE A 19 -22.322 9.633 -18.368 1.00 45.45 C ATOM 255 O ILE A 19 -21.938 8.463 -18.388 1.00 71.42 O ATOM 256 CB ILE A 19 -20.852 10.914 -16.811 1.00 71.22 C ATOM 257 CG1 ILE A 19 -20.796 11.760 -15.537 1.00 52.14 C ATOM 258 CG2 ILE A 19 -20.323 11.702 -18.001 1.00 11.22 C ATOM 259 CD1 ILE A 19 -19.403 11.895 -14.963 1.00 35.41 C ATOM 0 H ILE A 19 -22.205 9.637 -15.144 1.00 64.43 H new ATOM 0 HA ILE A 19 -22.938 11.317 -17.184 1.00 44.44 H new ATOM 0 HB ILE A 19 -20.219 10.037 -16.671 1.00 71.22 H new ATOM 0 HG12 ILE A 19 -21.189 12.753 -15.752 1.00 52.14 H new ATOM 0 HG13 ILE A 19 -21.448 11.315 -14.786 1.00 52.14 H new ATOM 0 HG21 ILE A 19 -19.303 12.027 -17.797 1.00 11.22 H new ATOM 0 HG22 ILE A 19 -20.332 11.070 -18.889 1.00 11.22 H new ATOM 0 HG23 ILE A 19 -20.955 12.574 -18.170 1.00 11.22 H new ATOM 0 HD11 ILE A 19 -19.439 12.507 -14.062 1.00 35.41 H new ATOM 0 HD12 ILE A 19 -19.014 10.907 -14.716 1.00 35.41 H new ATOM 0 HD13 ILE A 19 -18.751 12.368 -15.697 1.00 35.41 H new ATOM 271 N ARG A 20 -22.778 10.264 -19.446 1.00 13.43 N ATOM 272 CA ARG A 20 -22.856 9.601 -20.743 1.00 72.31 C ATOM 273 C ARG A 20 -21.615 9.898 -21.581 1.00 12.24 C ATOM 274 O ARG A 20 -20.909 10.878 -21.338 1.00 32.13 O ATOM 275 CB ARG A 20 -24.110 10.048 -21.494 1.00 62.52 C ATOM 276 CG ARG A 20 -25.325 9.174 -21.228 1.00 73.30 C ATOM 277 CD ARG A 20 -26.619 9.962 -21.359 1.00 55.34 C ATOM 278 NE ARG A 20 -26.905 10.746 -20.161 1.00 1.55 N ATOM 279 CZ ARG A 20 -27.967 11.535 -20.036 1.00 15.32 C ATOM 280 NH1 ARG A 20 -28.837 11.643 -21.030 1.00 11.55 N1+ ATOM 281 NH2 ARG A 20 -28.159 12.217 -18.914 1.00 42.33 N ATOM 0 H ARG A 20 -23.099 11.232 -19.447 1.00 13.43 H new ATOM 0 HA ARG A 20 -22.908 8.526 -20.570 1.00 72.31 H new ATOM 0 HB2 ARG A 20 -24.344 11.075 -21.214 1.00 62.52 H new ATOM 0 HB3 ARG A 20 -23.901 10.049 -22.564 1.00 62.52 H new ATOM 0 HG2 ARG A 20 -25.334 8.339 -21.929 1.00 73.30 H new ATOM 0 HG3 ARG A 20 -25.256 8.749 -20.227 1.00 73.30 H new ATOM 0 HD2 ARG A 20 -26.553 10.627 -22.220 1.00 55.34 H new ATOM 0 HD3 ARG A 20 -27.444 9.275 -21.549 1.00 55.34 H new ATOM 0 HE ARG A 20 -26.255 10.685 -19.378 1.00 1.55 H new ATOM 0 HH11 ARG A 20 -28.692 11.120 -21.894 1.00 11.55 H new ATOM 0 HH12 ARG A 20 -29.651 12.249 -20.931 1.00 11.55 H new ATOM 0 HH21 ARG A 20 -27.491 12.136 -18.147 1.00 42.33 H new ATOM 0 HH22 ARG A 20 -28.974 12.823 -18.818 1.00 42.33 H new ATOM 295 N LEU A 21 -21.354 9.046 -22.566 1.00 5.43 N ATOM 296 CA LEU A 21 -20.199 9.217 -23.440 1.00 21.43 C ATOM 297 C LEU A 21 -20.386 10.418 -24.362 1.00 23.45 C ATOM 298 O LEU A 21 -19.444 11.167 -24.619 1.00 72.22 O ATOM 299 CB LEU A 21 -19.972 7.952 -24.270 1.00 65.14 C ATOM 300 CG LEU A 21 -19.705 6.670 -23.482 1.00 74.21 C ATOM 301 CD1 LEU A 21 -19.652 5.471 -24.415 1.00 53.21 C ATOM 302 CD2 LEU A 21 -18.409 6.790 -22.692 1.00 25.30 C ATOM 0 H LEU A 21 -21.927 8.229 -22.779 1.00 5.43 H new ATOM 0 HA LEU A 21 -19.324 9.396 -22.815 1.00 21.43 H new ATOM 0 HB2 LEU A 21 -20.848 7.792 -24.899 1.00 65.14 H new ATOM 0 HB3 LEU A 21 -19.128 8.126 -24.938 1.00 65.14 H new ATOM 0 HG LEU A 21 -20.524 6.521 -22.779 1.00 74.21 H new ATOM 0 HD11 LEU A 21 -19.461 4.568 -23.836 1.00 53.21 H new ATOM 0 HD12 LEU A 21 -20.604 5.373 -24.936 1.00 53.21 H new ATOM 0 HD13 LEU A 21 -18.853 5.611 -25.143 1.00 53.21 H new ATOM 0 HD21 LEU A 21 -18.235 5.868 -22.137 1.00 25.30 H new ATOM 0 HD22 LEU A 21 -17.580 6.963 -23.378 1.00 25.30 H new ATOM 0 HD23 LEU A 21 -18.484 7.625 -21.995 1.00 25.30 H new ATOM 314 N ARG A 22 -21.607 10.595 -24.854 1.00 0.22 N ATOM 315 CA ARG A 22 -21.918 11.705 -25.746 1.00 64.03 C ATOM 316 C ARG A 22 -23.234 12.368 -25.351 1.00 2.51 C ATOM 317 O ARG A 22 -24.072 11.781 -24.666 1.00 2.31 O ATOM 318 CB ARG A 22 -21.994 11.219 -27.194 1.00 0.41 C ATOM 319 CG ARG A 22 -20.726 11.480 -27.992 1.00 3.14 C ATOM 320 CD ARG A 22 -20.335 10.271 -28.827 1.00 41.32 C ATOM 321 NE ARG A 22 -20.060 9.100 -28.000 1.00 14.43 N ATOM 322 CZ ARG A 22 -19.850 7.885 -28.493 1.00 52.52 C ATOM 323 NH1 ARG A 22 -19.884 7.682 -29.803 1.00 65.14 N1+ ATOM 324 NH2 ARG A 22 -19.604 6.868 -27.676 1.00 42.10 N ATOM 0 H ARG A 22 -22.398 9.984 -24.650 1.00 0.22 H new ATOM 0 HA ARG A 22 -21.119 12.442 -25.659 1.00 64.03 H new ATOM 0 HB2 ARG A 22 -22.202 10.149 -27.199 1.00 0.41 H new ATOM 0 HB3 ARG A 22 -22.832 11.709 -27.689 1.00 0.41 H new ATOM 0 HG2 ARG A 22 -20.876 12.341 -28.644 1.00 3.14 H new ATOM 0 HG3 ARG A 22 -19.912 11.733 -27.312 1.00 3.14 H new ATOM 0 HD2 ARG A 22 -21.137 10.040 -29.527 1.00 41.32 H new ATOM 0 HD3 ARG A 22 -19.453 10.511 -29.421 1.00 41.32 H new ATOM 0 HE ARG A 22 -20.027 9.222 -26.988 1.00 14.43 H new ATOM 0 HH11 ARG A 22 -20.072 8.460 -30.435 1.00 65.14 H new ATOM 0 HH12 ARG A 22 -19.722 6.748 -30.179 1.00 65.14 H new ATOM 0 HH21 ARG A 22 -19.576 7.019 -26.668 1.00 42.10 H new ATOM 0 HH22 ARG A 22 -19.443 5.935 -28.057 1.00 42.10 H new ATOM 338 N PRO A 23 -23.422 13.621 -25.791 1.00 51.42 N ATOM 339 CA PRO A 23 -24.635 14.391 -25.497 1.00 74.21 C ATOM 340 C PRO A 23 -25.858 13.847 -26.225 1.00 2.41 C ATOM 341 O PRO A 23 -26.967 13.859 -25.692 1.00 72.51 O ATOM 342 CB PRO A 23 -24.293 15.796 -26.000 1.00 5.44 C ATOM 343 CG PRO A 23 -23.260 15.581 -27.051 1.00 21.43 C ATOM 344 CD PRO A 23 -22.466 14.382 -26.612 1.00 71.24 C ATOM 0 HA PRO A 23 -24.895 14.354 -24.439 1.00 74.21 H new ATOM 0 HB2 PRO A 23 -25.172 16.296 -26.406 1.00 5.44 H new ATOM 0 HB3 PRO A 23 -23.913 16.423 -25.194 1.00 5.44 H new ATOM 0 HG2 PRO A 23 -23.722 15.408 -28.023 1.00 21.43 H new ATOM 0 HG3 PRO A 23 -22.619 16.457 -27.154 1.00 21.43 H new ATOM 0 HD2 PRO A 23 -22.115 13.799 -27.463 1.00 71.24 H new ATOM 0 HD3 PRO A 23 -21.585 14.671 -26.039 1.00 71.24 H new ATOM 352 N GLY A 24 -25.650 13.368 -27.449 1.00 70.21 N ATOM 353 CA GLY A 24 -26.746 12.826 -28.230 1.00 74.22 C ATOM 354 C GLY A 24 -26.766 11.311 -28.227 1.00 14.15 C ATOM 355 O GLY A 24 -27.200 10.686 -29.193 1.00 54.11 O ATOM 0 H GLY A 24 -24.742 13.346 -27.913 1.00 70.21 H new ATOM 0 HA2 GLY A 24 -27.690 13.200 -27.834 1.00 74.22 H new ATOM 0 HA3 GLY A 24 -26.668 13.183 -29.257 1.00 74.22 H new ATOM 359 N GLY A 25 -26.291 10.715 -27.136 1.00 65.32 N ATOM 360 CA GLY A 25 -26.264 9.268 -27.032 1.00 63.24 C ATOM 361 C GLY A 25 -26.890 8.768 -25.745 1.00 63.21 C ATOM 362 O GLY A 25 -27.307 9.559 -24.899 1.00 41.23 O ATOM 0 H GLY A 25 -25.925 11.210 -26.323 1.00 65.32 H new ATOM 0 HA2 GLY A 25 -26.793 8.836 -27.882 1.00 63.24 H new ATOM 0 HA3 GLY A 25 -25.232 8.922 -27.089 1.00 63.24 H new ATOM 366 N LYS A 26 -26.956 7.449 -25.595 1.00 65.12 N ATOM 367 CA LYS A 26 -27.536 6.842 -24.403 1.00 20.31 C ATOM 368 C LYS A 26 -26.482 6.062 -23.624 1.00 11.35 C ATOM 369 O LYS A 26 -26.597 5.885 -22.410 1.00 63.14 O ATOM 370 CB LYS A 26 -28.691 5.916 -24.787 1.00 52.31 C ATOM 371 CG LYS A 26 -29.901 6.650 -25.340 1.00 30.11 C ATOM 372 CD LYS A 26 -31.098 6.528 -24.412 1.00 64.00 C ATOM 373 CE LYS A 26 -32.407 6.721 -25.163 1.00 63.14 C ATOM 374 NZ LYS A 26 -33.449 7.353 -24.307 1.00 4.33 N1+ ATOM 0 H LYS A 26 -26.615 6.780 -26.285 1.00 65.12 H new ATOM 0 HA LYS A 26 -27.917 7.641 -23.767 1.00 20.31 H new ATOM 0 HB2 LYS A 26 -28.340 5.200 -25.530 1.00 52.31 H new ATOM 0 HB3 LYS A 26 -28.993 5.343 -23.910 1.00 52.31 H new ATOM 0 HG2 LYS A 26 -29.656 7.702 -25.483 1.00 30.11 H new ATOM 0 HG3 LYS A 26 -30.156 6.246 -26.320 1.00 30.11 H new ATOM 0 HD2 LYS A 26 -31.092 5.548 -23.935 1.00 64.00 H new ATOM 0 HD3 LYS A 26 -31.021 7.270 -23.617 1.00 64.00 H new ATOM 0 HE2 LYS A 26 -32.233 7.342 -26.042 1.00 63.14 H new ATOM 0 HE3 LYS A 26 -32.767 5.756 -25.520 1.00 63.14 H new ATOM 0 HZ1 LYS A 26 -34.326 7.468 -24.855 1.00 4.33 H new ATOM 0 HZ2 LYS A 26 -33.633 6.749 -23.481 1.00 4.33 H new ATOM 0 HZ3 LYS A 26 -33.117 8.285 -23.987 1.00 4.33 H new ATOM 388 N LYS A 27 -25.456 5.597 -24.327 1.00 74.23 N ATOM 389 CA LYS A 27 -24.379 4.839 -23.701 1.00 52.41 C ATOM 390 C LYS A 27 -23.807 5.591 -22.504 1.00 73.04 C ATOM 391 O LYS A 27 -23.380 6.739 -22.628 1.00 12.03 O ATOM 392 CB LYS A 27 -23.269 4.555 -24.717 1.00 3.33 C ATOM 393 CG LYS A 27 -22.406 3.360 -24.356 1.00 14.03 C ATOM 394 CD LYS A 27 -21.923 2.626 -25.595 1.00 12.54 C ATOM 395 CE LYS A 27 -21.885 1.121 -25.373 1.00 75.34 C ATOM 396 NZ LYS A 27 -20.822 0.467 -26.185 1.00 54.23 N1+ ATOM 0 H LYS A 27 -25.347 5.732 -25.332 1.00 74.23 H new ATOM 0 HA LYS A 27 -24.792 3.894 -23.349 1.00 52.41 H new ATOM 0 HB2 LYS A 27 -23.718 4.386 -25.696 1.00 3.33 H new ATOM 0 HB3 LYS A 27 -22.635 5.437 -24.806 1.00 3.33 H new ATOM 0 HG2 LYS A 27 -21.548 3.693 -23.772 1.00 14.03 H new ATOM 0 HG3 LYS A 27 -22.975 2.676 -23.726 1.00 14.03 H new ATOM 0 HD2 LYS A 27 -22.580 2.854 -26.434 1.00 12.54 H new ATOM 0 HD3 LYS A 27 -20.928 2.980 -25.864 1.00 12.54 H new ATOM 0 HE2 LYS A 27 -21.714 0.914 -24.317 1.00 75.34 H new ATOM 0 HE3 LYS A 27 -22.854 0.692 -25.629 1.00 75.34 H new ATOM 0 HZ1 LYS A 27 -20.829 -0.557 -26.005 1.00 54.23 H new ATOM 0 HZ2 LYS A 27 -20.999 0.643 -27.195 1.00 54.23 H new ATOM 0 HZ3 LYS A 27 -19.895 0.858 -25.923 1.00 54.23 H new ATOM 410 N GLN A 28 -23.800 4.936 -21.347 1.00 40.41 N ATOM 411 CA GLN A 28 -23.279 5.545 -20.129 1.00 2.12 C ATOM 412 C GLN A 28 -21.815 5.176 -19.920 1.00 32.13 C ATOM 413 O GLN A 28 -21.267 4.335 -20.635 1.00 25.43 O ATOM 414 CB GLN A 28 -24.106 5.103 -18.920 1.00 13.12 C ATOM 415 CG GLN A 28 -25.607 5.162 -19.155 1.00 22.43 C ATOM 416 CD GLN A 28 -26.230 3.787 -19.298 1.00 55.25 C ATOM 417 OE1 GLN A 28 -26.828 3.469 -20.327 1.00 33.41 O ATOM 418 NE2 GLN A 28 -26.093 2.964 -18.267 1.00 31.43 N ATOM 0 H GLN A 28 -24.149 3.985 -21.228 1.00 40.41 H new ATOM 0 HA GLN A 28 -23.351 6.628 -20.234 1.00 2.12 H new ATOM 0 HB2 GLN A 28 -23.828 4.083 -18.654 1.00 13.12 H new ATOM 0 HB3 GLN A 28 -23.855 5.735 -18.068 1.00 13.12 H new ATOM 0 HG2 GLN A 28 -26.080 5.687 -18.325 1.00 22.43 H new ATOM 0 HG3 GLN A 28 -25.807 5.743 -20.055 1.00 22.43 H new ATOM 0 HE21 GLN A 28 -25.590 3.269 -17.434 1.00 31.43 H new ATOM 0 HE22 GLN A 28 -26.491 2.026 -18.307 1.00 31.43 H new ATOM 427 N TYR A 29 -21.184 5.811 -18.938 1.00 2.42 N ATOM 428 CA TYR A 29 -19.782 5.551 -18.636 1.00 64.34 C ATOM 429 C TYR A 29 -19.638 4.366 -17.687 1.00 73.14 C ATOM 430 O TYR A 29 -20.523 4.094 -16.875 1.00 54.54 O ATOM 431 CB TYR A 29 -19.133 6.793 -18.021 1.00 42.10 C ATOM 432 CG TYR A 29 -18.368 7.634 -19.018 1.00 42.50 C ATOM 433 CD1 TYR A 29 -17.110 7.247 -19.463 1.00 63.44 C ATOM 434 CD2 TYR A 29 -18.905 8.815 -19.516 1.00 73.52 C ATOM 435 CE1 TYR A 29 -16.407 8.013 -20.373 1.00 0.14 C ATOM 436 CE2 TYR A 29 -18.211 9.587 -20.428 1.00 34.43 C ATOM 437 CZ TYR A 29 -16.962 9.182 -20.853 1.00 15.00 C ATOM 438 OH TYR A 29 -16.266 9.948 -21.760 1.00 1.41 O ATOM 0 H TYR A 29 -21.622 6.510 -18.338 1.00 2.42 H new ATOM 0 HA TYR A 29 -19.275 5.308 -19.570 1.00 64.34 H new ATOM 0 HB2 TYR A 29 -19.907 7.406 -17.560 1.00 42.10 H new ATOM 0 HB3 TYR A 29 -18.456 6.482 -17.225 1.00 42.10 H new ATOM 0 HD1 TYR A 29 -16.674 6.332 -19.091 1.00 63.44 H new ATOM 0 HD2 TYR A 29 -19.882 9.135 -19.184 1.00 73.52 H new ATOM 0 HE1 TYR A 29 -15.429 7.699 -20.707 1.00 0.14 H new ATOM 0 HE2 TYR A 29 -18.643 10.502 -20.806 1.00 34.43 H new ATOM 0 HH TYR A 29 -16.816 10.711 -22.034 1.00 1.41 H new ATOM 448 N LYS A 30 -18.516 3.662 -17.796 1.00 22.11 N ATOM 449 CA LYS A 30 -18.252 2.506 -16.948 1.00 72.21 C ATOM 450 C LYS A 30 -16.756 2.345 -16.698 1.00 11.52 C ATOM 451 O LYS A 30 -15.934 2.986 -17.354 1.00 73.40 O ATOM 452 CB LYS A 30 -18.812 1.236 -17.593 1.00 55.12 C ATOM 453 CG LYS A 30 -19.388 0.249 -16.593 1.00 11.43 C ATOM 454 CD LYS A 30 -19.081 -1.187 -16.987 1.00 65.52 C ATOM 455 CE LYS A 30 -19.328 -2.145 -15.832 1.00 33.42 C ATOM 456 NZ LYS A 30 -19.213 -3.567 -16.258 1.00 11.44 N1+ ATOM 0 H LYS A 30 -17.775 3.872 -18.464 1.00 22.11 H new ATOM 0 HA LYS A 30 -18.747 2.668 -15.991 1.00 72.21 H new ATOM 0 HB2 LYS A 30 -19.589 1.513 -18.306 1.00 55.12 H new ATOM 0 HB3 LYS A 30 -18.020 0.746 -18.159 1.00 55.12 H new ATOM 0 HG2 LYS A 30 -18.978 0.451 -15.603 1.00 11.43 H new ATOM 0 HG3 LYS A 30 -20.467 0.386 -16.525 1.00 11.43 H new ATOM 0 HD2 LYS A 30 -19.700 -1.473 -17.837 1.00 65.52 H new ATOM 0 HD3 LYS A 30 -18.042 -1.263 -17.309 1.00 65.52 H new ATOM 0 HE2 LYS A 30 -18.612 -1.945 -15.035 1.00 33.42 H new ATOM 0 HE3 LYS A 30 -20.321 -1.968 -15.420 1.00 33.42 H new ATOM 0 HZ1 LYS A 30 -19.388 -4.189 -15.443 1.00 11.44 H new ATOM 0 HZ2 LYS A 30 -19.913 -3.765 -17.001 1.00 11.44 H new ATOM 0 HZ3 LYS A 30 -18.257 -3.742 -16.628 1.00 11.44 H new ATOM 470 N LEU A 31 -16.410 1.484 -15.748 1.00 35.55 N ATOM 471 CA LEU A 31 -15.012 1.237 -15.412 1.00 32.45 C ATOM 472 C LEU A 31 -14.214 0.849 -16.652 1.00 12.41 C ATOM 473 O LEU A 31 -13.008 1.086 -16.729 1.00 63.45 O ATOM 474 CB LEU A 31 -14.907 0.134 -14.358 1.00 10.32 C ATOM 475 CG LEU A 31 -14.131 0.487 -13.089 1.00 63.43 C ATOM 476 CD1 LEU A 31 -14.901 1.503 -12.258 1.00 14.31 C ATOM 477 CD2 LEU A 31 -13.842 -0.764 -12.273 1.00 63.42 C ATOM 0 H LEU A 31 -17.078 0.945 -15.197 1.00 35.55 H new ATOM 0 HA LEU A 31 -14.594 2.158 -15.007 1.00 32.45 H new ATOM 0 HB2 LEU A 31 -15.916 -0.164 -14.072 1.00 10.32 H new ATOM 0 HB3 LEU A 31 -14.436 -0.735 -14.817 1.00 10.32 H new ATOM 0 HG LEU A 31 -13.180 0.932 -13.380 1.00 63.43 H new ATOM 0 HD11 LEU A 31 -14.334 1.742 -11.359 1.00 14.31 H new ATOM 0 HD12 LEU A 31 -15.054 2.410 -12.843 1.00 14.31 H new ATOM 0 HD13 LEU A 31 -15.868 1.085 -11.977 1.00 14.31 H new ATOM 0 HD21 LEU A 31 -13.289 -0.492 -11.374 1.00 63.42 H new ATOM 0 HD22 LEU A 31 -14.781 -1.240 -11.991 1.00 63.42 H new ATOM 0 HD23 LEU A 31 -13.248 -1.458 -12.868 1.00 63.42 H new ATOM 489 N LYS A 32 -14.895 0.251 -17.624 1.00 13.14 N ATOM 490 CA LYS A 32 -14.253 -0.168 -18.864 1.00 60.41 C ATOM 491 C LYS A 32 -13.472 0.984 -19.489 1.00 32.43 C ATOM 492 O LYS A 32 -12.457 0.772 -20.151 1.00 52.24 O ATOM 493 CB LYS A 32 -15.298 -0.685 -19.854 1.00 15.32 C ATOM 494 CG LYS A 32 -15.196 -2.178 -20.121 1.00 51.22 C ATOM 495 CD LYS A 32 -16.498 -2.736 -20.670 1.00 50.03 C ATOM 496 CE LYS A 32 -16.256 -3.633 -21.875 1.00 21.02 C ATOM 497 NZ LYS A 32 -16.118 -2.848 -23.132 1.00 1.34 N1+ ATOM 0 H LYS A 32 -15.893 0.046 -17.576 1.00 13.14 H new ATOM 0 HA LYS A 32 -13.555 -0.972 -18.629 1.00 60.41 H new ATOM 0 HB2 LYS A 32 -16.293 -0.460 -19.470 1.00 15.32 H new ATOM 0 HB3 LYS A 32 -15.191 -0.148 -20.796 1.00 15.32 H new ATOM 0 HG2 LYS A 32 -14.390 -2.368 -20.830 1.00 51.22 H new ATOM 0 HG3 LYS A 32 -14.937 -2.697 -19.198 1.00 51.22 H new ATOM 0 HD2 LYS A 32 -17.010 -3.301 -19.891 1.00 50.03 H new ATOM 0 HD3 LYS A 32 -17.157 -1.915 -20.953 1.00 50.03 H new ATOM 0 HE2 LYS A 32 -15.353 -4.222 -21.714 1.00 21.02 H new ATOM 0 HE3 LYS A 32 -17.082 -4.337 -21.975 1.00 21.02 H new ATOM 0 HZ1 LYS A 32 -15.954 -3.495 -23.929 1.00 1.34 H new ATOM 0 HZ2 LYS A 32 -16.989 -2.305 -23.300 1.00 1.34 H new ATOM 0 HZ3 LYS A 32 -15.314 -2.194 -23.046 1.00 1.34 H new ATOM 511 N HIS A 33 -13.952 2.205 -19.270 1.00 51.21 N ATOM 512 CA HIS A 33 -13.297 3.392 -19.810 1.00 71.23 C ATOM 513 C HIS A 33 -12.187 3.870 -18.879 1.00 21.44 C ATOM 514 O HIS A 33 -11.170 4.327 -19.400 1.00 33.34 O ATOM 515 CB HIS A 33 -14.317 4.511 -20.023 1.00 42.52 C ATOM 516 CG HIS A 33 -15.554 4.065 -20.741 1.00 51.24 C ATOM 517 ND1 HIS A 33 -16.806 4.079 -20.164 1.00 42.12 N ATOM 518 CD2 HIS A 33 -15.727 3.590 -21.997 1.00 31.32 C ATOM 519 CE1 HIS A 33 -17.694 3.632 -21.033 1.00 43.01 C ATOM 520 NE2 HIS A 33 -17.065 3.330 -22.154 1.00 33.00 N ATOM 0 H HIS A 33 -14.791 2.398 -18.723 1.00 51.21 H new ATOM 0 HA HIS A 33 -12.854 3.127 -20.770 1.00 71.23 H new ATOM 0 HB2 HIS A 33 -14.598 4.924 -19.054 1.00 42.52 H new ATOM 0 HB3 HIS A 33 -13.848 5.316 -20.589 1.00 42.52 H new ATOM 0 HD2 HIS A 33 -14.955 3.443 -22.738 1.00 31.32 H new ATOM 0 HE1 HIS A 33 -18.755 3.531 -20.857 1.00 43.01 H new ATOM 0 HE2 HIS A 33 -17.503 2.963 -22.999 1.00 33.00 H new ATOM 528 N ILE A 34 -12.350 3.782 -17.563 1.00 11.22 N ATOM 529 CA ILE A 34 -11.317 4.224 -16.635 1.00 21.31 C ATOM 530 C ILE A 34 -10.094 3.317 -16.699 1.00 34.20 C ATOM 531 O ILE A 34 -8.956 3.784 -16.641 1.00 22.31 O ATOM 532 CB ILE A 34 -11.840 4.261 -15.187 1.00 33.45 C ATOM 533 CG1 ILE A 34 -13.136 5.069 -15.109 1.00 51.21 C ATOM 534 CG2 ILE A 34 -10.787 4.849 -14.258 1.00 43.51 C ATOM 535 CD1 ILE A 34 -13.798 5.022 -13.750 1.00 53.03 C ATOM 0 H ILE A 34 -13.187 3.409 -17.116 1.00 11.22 H new ATOM 0 HA ILE A 34 -11.033 5.232 -16.936 1.00 21.31 H new ATOM 0 HB ILE A 34 -12.051 3.240 -14.867 1.00 33.45 H new ATOM 0 HG12 ILE A 34 -12.923 6.107 -15.364 1.00 51.21 H new ATOM 0 HG13 ILE A 34 -13.834 4.693 -15.857 1.00 51.21 H new ATOM 0 HG21 ILE A 34 -11.172 4.869 -13.238 1.00 43.51 H new ATOM 0 HG22 ILE A 34 -9.886 4.236 -14.295 1.00 43.51 H new ATOM 0 HG23 ILE A 34 -10.548 5.864 -14.575 1.00 43.51 H new ATOM 0 HD11 ILE A 34 -14.711 5.617 -13.769 1.00 53.03 H new ATOM 0 HD12 ILE A 34 -14.043 3.990 -13.500 1.00 53.03 H new ATOM 0 HD13 ILE A 34 -13.118 5.425 -13.000 1.00 53.03 H new ATOM 547 N VAL A 35 -10.335 2.015 -16.821 1.00 42.25 N ATOM 548 CA VAL A 35 -9.253 1.040 -16.897 1.00 63.51 C ATOM 549 C VAL A 35 -8.525 1.130 -18.233 1.00 52.43 C ATOM 550 O VAL A 35 -7.296 1.097 -18.286 1.00 51.23 O ATOM 551 CB VAL A 35 -9.777 -0.395 -16.705 1.00 33.42 C ATOM 552 CG1 VAL A 35 -8.638 -1.398 -16.817 1.00 40.31 C ATOM 553 CG2 VAL A 35 -10.485 -0.528 -15.365 1.00 71.00 C ATOM 0 H VAL A 35 -11.270 1.611 -16.869 1.00 42.25 H new ATOM 0 HA VAL A 35 -8.557 1.275 -16.092 1.00 63.51 H new ATOM 0 HB VAL A 35 -10.498 -0.609 -17.494 1.00 33.42 H new ATOM 0 HG11 VAL A 35 -9.027 -2.407 -16.679 1.00 40.31 H new ATOM 0 HG12 VAL A 35 -8.178 -1.318 -17.802 1.00 40.31 H new ATOM 0 HG13 VAL A 35 -7.892 -1.188 -16.050 1.00 40.31 H new ATOM 0 HG21 VAL A 35 -10.849 -1.548 -15.246 1.00 71.00 H new ATOM 0 HG22 VAL A 35 -9.788 -0.295 -14.560 1.00 71.00 H new ATOM 0 HG23 VAL A 35 -11.326 0.164 -15.328 1.00 71.00 H new ATOM 563 N TRP A 36 -9.292 1.244 -19.312 1.00 11.24 N ATOM 564 CA TRP A 36 -8.720 1.338 -20.651 1.00 25.34 C ATOM 565 C TRP A 36 -7.826 2.567 -20.774 1.00 33.11 C ATOM 566 O TRP A 36 -6.708 2.484 -21.283 1.00 12.05 O ATOM 567 CB TRP A 36 -9.832 1.394 -21.699 1.00 31.02 C ATOM 568 CG TRP A 36 -9.322 1.583 -23.095 1.00 41.24 C ATOM 569 CD1 TRP A 36 -8.906 0.607 -23.956 1.00 2.21 C ATOM 570 CD2 TRP A 36 -9.172 2.825 -23.792 1.00 54.44 C ATOM 571 NE1 TRP A 36 -8.506 1.168 -25.145 1.00 42.42 N ATOM 572 CE2 TRP A 36 -8.661 2.526 -25.070 1.00 70.35 C ATOM 573 CE3 TRP A 36 -9.421 4.160 -23.462 1.00 11.33 C ATOM 574 CZ2 TRP A 36 -8.394 3.514 -26.015 1.00 3.11 C ATOM 575 CZ3 TRP A 36 -9.157 5.139 -24.400 1.00 73.31 C ATOM 576 CH2 TRP A 36 -8.648 4.813 -25.665 1.00 21.24 C ATOM 0 H TRP A 36 -10.311 1.274 -19.286 1.00 11.24 H new ATOM 0 HA TRP A 36 -8.112 0.450 -20.824 1.00 25.34 H new ATOM 0 HB2 TRP A 36 -10.412 0.472 -21.653 1.00 31.02 H new ATOM 0 HB3 TRP A 36 -10.512 2.210 -21.454 1.00 31.02 H new ATOM 0 HD1 TRP A 36 -8.893 -0.450 -23.735 1.00 2.21 H new ATOM 0 HE1 TRP A 36 -8.151 0.656 -25.952 1.00 42.42 H new ATOM 0 HE3 TRP A 36 -9.813 4.422 -22.490 1.00 11.33 H new ATOM 0 HZ2 TRP A 36 -8.001 3.264 -26.989 1.00 3.11 H new ATOM 0 HZ3 TRP A 36 -9.346 6.174 -24.155 1.00 73.31 H new ATOM 0 HH2 TRP A 36 -8.453 5.601 -26.377 1.00 21.24 H new ATOM 587 N ALA A 37 -8.324 3.706 -20.306 1.00 42.11 N ATOM 588 CA ALA A 37 -7.568 4.951 -20.363 1.00 43.11 C ATOM 589 C ALA A 37 -6.254 4.831 -19.600 1.00 33.45 C ATOM 590 O ALA A 37 -5.217 5.320 -20.048 1.00 70.02 O ATOM 591 CB ALA A 37 -8.399 6.099 -19.808 1.00 41.02 C ATOM 0 H ALA A 37 -9.248 3.793 -19.883 1.00 42.11 H new ATOM 0 HA ALA A 37 -7.334 5.157 -21.407 1.00 43.11 H new ATOM 0 HB1 ALA A 37 -7.822 7.023 -19.857 1.00 41.02 H new ATOM 0 HB2 ALA A 37 -9.309 6.208 -20.398 1.00 41.02 H new ATOM 0 HB3 ALA A 37 -8.662 5.890 -18.771 1.00 41.02 H new ATOM 597 N SER A 38 -6.303 4.176 -18.444 1.00 4.34 N ATOM 598 CA SER A 38 -5.116 3.994 -17.616 1.00 64.04 C ATOM 599 C SER A 38 -4.008 3.301 -18.401 1.00 72.33 C ATOM 600 O SER A 38 -2.843 3.695 -18.332 1.00 73.00 O ATOM 601 CB SER A 38 -5.459 3.181 -16.367 1.00 41.55 C ATOM 602 OG SER A 38 -5.096 1.820 -16.530 1.00 62.04 O ATOM 0 H SER A 38 -7.152 3.762 -18.059 1.00 4.34 H new ATOM 0 HA SER A 38 -4.760 4.979 -17.312 1.00 64.04 H new ATOM 0 HB2 SER A 38 -4.941 3.598 -15.504 1.00 41.55 H new ATOM 0 HB3 SER A 38 -6.527 3.254 -16.163 1.00 41.55 H new ATOM 0 HG SER A 38 -5.735 1.380 -17.129 1.00 62.04 H new ATOM 608 N ARG A 39 -4.378 2.265 -19.148 1.00 30.34 N ATOM 609 CA ARG A 39 -3.415 1.514 -19.945 1.00 64.12 C ATOM 610 C ARG A 39 -2.911 2.351 -21.117 1.00 45.54 C ATOM 611 O ARG A 39 -1.716 2.619 -21.231 1.00 0.42 O ATOM 612 CB ARG A 39 -4.048 0.222 -20.462 1.00 12.25 C ATOM 613 CG ARG A 39 -3.911 -0.950 -19.502 1.00 24.31 C ATOM 614 CD ARG A 39 -4.985 -1.998 -19.744 1.00 64.24 C ATOM 615 NE ARG A 39 -4.624 -3.295 -19.177 1.00 65.14 N ATOM 616 CZ ARG A 39 -5.489 -4.287 -19.000 1.00 62.25 C ATOM 617 NH1 ARG A 39 -6.760 -4.131 -19.345 1.00 50.14 N1+ ATOM 618 NH2 ARG A 39 -5.084 -5.436 -18.477 1.00 52.31 N ATOM 0 H ARG A 39 -5.338 1.927 -19.218 1.00 30.34 H new ATOM 0 HA ARG A 39 -2.567 1.265 -19.307 1.00 64.12 H new ATOM 0 HB2 ARG A 39 -5.106 0.399 -20.658 1.00 12.25 H new ATOM 0 HB3 ARG A 39 -3.587 -0.043 -21.414 1.00 12.25 H new ATOM 0 HG2 ARG A 39 -2.926 -1.403 -19.618 1.00 24.31 H new ATOM 0 HG3 ARG A 39 -3.977 -0.590 -18.475 1.00 24.31 H new ATOM 0 HD2 ARG A 39 -5.925 -1.661 -19.307 1.00 64.24 H new ATOM 0 HD3 ARG A 39 -5.152 -2.105 -20.816 1.00 64.24 H new ATOM 0 HE ARG A 39 -3.654 -3.447 -18.902 1.00 65.14 H new ATOM 0 HH11 ARG A 39 -7.075 -3.248 -19.747 1.00 50.14 H new ATOM 0 HH12 ARG A 39 -7.423 -4.894 -19.208 1.00 50.14 H new ATOM 0 HH21 ARG A 39 -4.107 -5.559 -18.210 1.00 52.31 H new ATOM 0 HH22 ARG A 39 -5.749 -6.197 -18.341 1.00 52.31 H new ATOM 632 N GLU A 40 -3.833 2.758 -21.986 1.00 35.30 N ATOM 633 CA GLU A 40 -3.480 3.563 -23.150 1.00 11.34 C ATOM 634 C GLU A 40 -2.657 4.780 -22.741 1.00 65.55 C ATOM 635 O GLU A 40 -1.820 5.264 -23.505 1.00 22.21 O ATOM 636 CB GLU A 40 -4.742 4.010 -23.889 1.00 62.12 C ATOM 637 CG GLU A 40 -4.639 3.886 -25.401 1.00 24.44 C ATOM 638 CD GLU A 40 -4.960 2.489 -25.894 1.00 0.23 C ATOM 639 OE1 GLU A 40 -4.562 1.515 -25.221 1.00 60.23 O1- ATOM 640 OE2 GLU A 40 -5.609 2.369 -26.954 1.00 24.11 O ATOM 0 H GLU A 40 -4.827 2.544 -21.906 1.00 35.30 H new ATOM 0 HA GLU A 40 -2.877 2.947 -23.817 1.00 11.34 H new ATOM 0 HB2 GLU A 40 -5.587 3.415 -23.541 1.00 62.12 H new ATOM 0 HB3 GLU A 40 -4.955 5.048 -23.632 1.00 62.12 H new ATOM 0 HG2 GLU A 40 -5.320 4.598 -25.868 1.00 24.44 H new ATOM 0 HG3 GLU A 40 -3.631 4.156 -25.716 1.00 24.44 H new ATOM 647 N LEU A 41 -2.903 5.274 -21.532 1.00 21.53 N ATOM 648 CA LEU A 41 -2.186 6.437 -21.019 1.00 53.31 C ATOM 649 C LEU A 41 -0.697 6.137 -20.872 1.00 63.03 C ATOM 650 O LEU A 41 0.144 6.824 -21.451 1.00 41.21 O ATOM 651 CB LEU A 41 -2.767 6.866 -19.671 1.00 43.11 C ATOM 652 CG LEU A 41 -3.855 7.939 -19.721 1.00 72.55 C ATOM 653 CD1 LEU A 41 -4.384 8.228 -18.325 1.00 2.10 C ATOM 654 CD2 LEU A 41 -3.319 9.211 -20.364 1.00 23.14 C ATOM 0 H LEU A 41 -3.594 4.887 -20.889 1.00 21.53 H new ATOM 0 HA LEU A 41 -2.305 7.251 -21.734 1.00 53.31 H new ATOM 0 HB2 LEU A 41 -3.176 5.985 -19.177 1.00 43.11 H new ATOM 0 HB3 LEU A 41 -1.952 7.232 -19.046 1.00 43.11 H new ATOM 0 HG LEU A 41 -4.679 7.566 -20.329 1.00 72.55 H new ATOM 0 HD11 LEU A 41 -5.157 8.994 -18.380 1.00 2.10 H new ATOM 0 HD12 LEU A 41 -4.805 7.317 -17.900 1.00 2.10 H new ATOM 0 HD13 LEU A 41 -3.569 8.580 -17.693 1.00 2.10 H new ATOM 0 HD21 LEU A 41 -4.106 9.964 -20.392 1.00 23.14 H new ATOM 0 HD22 LEU A 41 -2.478 9.587 -19.781 1.00 23.14 H new ATOM 0 HD23 LEU A 41 -2.989 8.994 -21.380 1.00 23.14 H new ATOM 666 N GLU A 42 -0.380 5.106 -20.095 1.00 64.12 N ATOM 667 CA GLU A 42 1.007 4.716 -19.873 1.00 63.52 C ATOM 668 C GLU A 42 1.727 4.486 -21.199 1.00 4.10 C ATOM 669 O GLU A 42 2.943 4.647 -21.293 1.00 50.40 O ATOM 670 CB GLU A 42 1.074 3.450 -19.017 1.00 3.31 C ATOM 671 CG GLU A 42 1.919 3.605 -17.765 1.00 1.34 C ATOM 672 CD GLU A 42 3.377 3.260 -17.998 1.00 2.42 C ATOM 673 OE1 GLU A 42 3.737 2.958 -19.155 1.00 3.30 O ATOM 674 OE2 GLU A 42 4.158 3.292 -17.025 1.00 14.24 O1- ATOM 0 H GLU A 42 -1.064 4.526 -19.609 1.00 64.12 H new ATOM 0 HA GLU A 42 1.506 5.529 -19.345 1.00 63.52 H new ATOM 0 HB2 GLU A 42 0.063 3.163 -18.729 1.00 3.31 H new ATOM 0 HB3 GLU A 42 1.478 2.636 -19.619 1.00 3.31 H new ATOM 0 HG2 GLU A 42 1.845 4.632 -17.407 1.00 1.34 H new ATOM 0 HG3 GLU A 42 1.519 2.964 -16.980 1.00 1.34 H new ATOM 681 N ARG A 43 0.965 4.107 -22.220 1.00 42.24 N ATOM 682 CA ARG A 43 1.528 3.853 -23.541 1.00 34.43 C ATOM 683 C ARG A 43 2.061 5.141 -24.162 1.00 42.21 C ATOM 684 O ARG A 43 3.011 5.118 -24.944 1.00 52.12 O ATOM 685 CB ARG A 43 0.473 3.230 -24.457 1.00 34.30 C ATOM 686 CG ARG A 43 0.769 1.787 -24.834 1.00 33.41 C ATOM 687 CD ARG A 43 -0.364 0.861 -24.424 1.00 14.25 C ATOM 688 NE ARG A 43 -0.266 -0.445 -25.072 1.00 72.24 N ATOM 689 CZ ARG A 43 -1.095 -1.452 -24.824 1.00 51.21 C ATOM 690 NH1 ARG A 43 -2.079 -1.306 -23.948 1.00 73.31 N1+ ATOM 691 NH2 ARG A 43 -0.941 -2.610 -25.454 1.00 54.31 N ATOM 0 H ARG A 43 -0.044 3.969 -22.158 1.00 42.24 H new ATOM 0 HA ARG A 43 2.358 3.155 -23.427 1.00 34.43 H new ATOM 0 HB2 ARG A 43 -0.498 3.276 -23.963 1.00 34.30 H new ATOM 0 HB3 ARG A 43 0.396 3.826 -25.366 1.00 34.30 H new ATOM 0 HG2 ARG A 43 0.927 1.716 -25.910 1.00 33.41 H new ATOM 0 HG3 ARG A 43 1.694 1.467 -24.354 1.00 33.41 H new ATOM 0 HD2 ARG A 43 -0.352 0.730 -23.342 1.00 14.25 H new ATOM 0 HD3 ARG A 43 -1.319 1.321 -24.679 1.00 14.25 H new ATOM 0 HE ARG A 43 0.480 -0.591 -25.752 1.00 72.24 H new ATOM 0 HH11 ARG A 43 -2.201 -0.418 -23.462 1.00 73.31 H new ATOM 0 HH12 ARG A 43 -2.714 -2.082 -23.760 1.00 73.31 H new ATOM 0 HH21 ARG A 43 -0.185 -2.727 -26.129 1.00 54.31 H new ATOM 0 HH22 ARG A 43 -1.578 -3.383 -25.263 1.00 54.31 H new ATOM 705 N PHE A 44 1.441 6.263 -23.808 1.00 14.41 N ATOM 706 CA PHE A 44 1.852 7.559 -24.332 1.00 63.12 C ATOM 707 C PHE A 44 2.795 8.264 -23.362 1.00 72.50 C ATOM 708 O PHE A 44 2.854 9.493 -23.318 1.00 13.32 O ATOM 709 CB PHE A 44 0.627 8.437 -24.598 1.00 2.13 C ATOM 710 CG PHE A 44 -0.397 7.785 -25.482 1.00 52.20 C ATOM 711 CD1 PHE A 44 -0.017 7.154 -26.656 1.00 22.04 C ATOM 712 CD2 PHE A 44 -1.739 7.803 -25.139 1.00 2.50 C ATOM 713 CE1 PHE A 44 -0.957 6.553 -27.472 1.00 4.14 C ATOM 714 CE2 PHE A 44 -2.684 7.203 -25.950 1.00 14.32 C ATOM 715 CZ PHE A 44 -2.292 6.578 -27.119 1.00 3.45 C ATOM 0 H PHE A 44 0.653 6.300 -23.161 1.00 14.41 H new ATOM 0 HA PHE A 44 2.382 7.392 -25.270 1.00 63.12 H new ATOM 0 HB2 PHE A 44 0.162 8.696 -23.647 1.00 2.13 H new ATOM 0 HB3 PHE A 44 0.952 9.370 -25.059 1.00 2.13 H new ATOM 0 HD1 PHE A 44 1.026 7.132 -26.937 1.00 22.04 H new ATOM 0 HD2 PHE A 44 -2.051 8.291 -24.228 1.00 2.50 H new ATOM 0 HE1 PHE A 44 -0.648 6.065 -28.384 1.00 4.14 H new ATOM 0 HE2 PHE A 44 -3.727 7.222 -25.671 1.00 14.32 H new ATOM 0 HZ PHE A 44 -3.029 6.110 -27.755 1.00 3.45 H new ATOM 725 N ALA A 45 3.532 7.477 -22.585 1.00 3.34 N ATOM 726 CA ALA A 45 4.474 8.023 -21.616 1.00 45.44 C ATOM 727 C ALA A 45 3.750 8.823 -20.538 1.00 71.23 C ATOM 728 O ALA A 45 4.342 9.684 -19.887 1.00 60.44 O ATOM 729 CB ALA A 45 5.507 8.893 -22.317 1.00 43.22 C ATOM 0 H ALA A 45 3.495 6.458 -22.608 1.00 3.34 H new ATOM 0 HA ALA A 45 4.984 7.190 -21.133 1.00 45.44 H new ATOM 0 HB1 ALA A 45 6.204 9.294 -21.581 1.00 43.22 H new ATOM 0 HB2 ALA A 45 6.053 8.294 -23.046 1.00 43.22 H new ATOM 0 HB3 ALA A 45 5.005 9.715 -22.827 1.00 43.22 H new ATOM 735 N VAL A 46 2.465 8.534 -20.355 1.00 72.34 N ATOM 736 CA VAL A 46 1.661 9.227 -19.356 1.00 41.41 C ATOM 737 C VAL A 46 1.148 8.259 -18.296 1.00 73.43 C ATOM 738 O VAL A 46 0.354 7.367 -18.588 1.00 1.33 O ATOM 739 CB VAL A 46 0.461 9.947 -20.002 1.00 3.42 C ATOM 740 CG1 VAL A 46 -0.390 10.624 -18.939 1.00 20.41 C ATOM 741 CG2 VAL A 46 0.938 10.953 -21.037 1.00 60.20 C ATOM 0 H VAL A 46 1.959 7.825 -20.886 1.00 72.34 H new ATOM 0 HA VAL A 46 2.309 9.967 -18.886 1.00 41.41 H new ATOM 0 HB VAL A 46 -0.156 9.205 -20.509 1.00 3.42 H new ATOM 0 HG11 VAL A 46 -1.232 11.127 -19.413 1.00 20.41 H new ATOM 0 HG12 VAL A 46 -0.762 9.875 -18.239 1.00 20.41 H new ATOM 0 HG13 VAL A 46 0.213 11.355 -18.401 1.00 20.41 H new ATOM 0 HG21 VAL A 46 0.078 11.452 -21.483 1.00 60.20 H new ATOM 0 HG22 VAL A 46 1.578 11.693 -20.557 1.00 60.20 H new ATOM 0 HG23 VAL A 46 1.501 10.436 -21.814 1.00 60.20 H new ATOM 751 N ASN A 47 1.609 8.443 -17.063 1.00 25.13 N ATOM 752 CA ASN A 47 1.197 7.585 -15.958 1.00 21.41 C ATOM 753 C ASN A 47 -0.300 7.721 -15.692 1.00 12.24 C ATOM 754 O ASN A 47 -0.882 8.798 -15.815 1.00 43.24 O ATOM 755 CB ASN A 47 1.984 7.934 -14.693 1.00 0.12 C ATOM 756 CG ASN A 47 2.830 6.775 -14.202 1.00 23.45 C ATOM 757 OD1 ASN A 47 3.649 6.231 -14.942 1.00 13.04 O ATOM 758 ND2 ASN A 47 2.635 6.393 -12.944 1.00 11.11 N ATOM 0 H ASN A 47 2.267 9.178 -16.804 1.00 25.13 H new ATOM 0 HA ASN A 47 1.407 6.552 -16.236 1.00 21.41 H new ATOM 0 HB2 ASN A 47 2.627 8.791 -14.893 1.00 0.12 H new ATOM 0 HB3 ASN A 47 1.290 8.233 -13.907 1.00 0.12 H new ATOM 0 HD21 ASN A 47 3.175 5.620 -12.556 1.00 11.11 H new ATOM 0 HD22 ASN A 47 1.945 6.873 -12.366 1.00 11.11 H new ATOM 765 N PRO A 48 -0.938 6.603 -15.317 1.00 54.34 N ATOM 766 CA PRO A 48 -2.374 6.570 -15.024 1.00 44.15 C ATOM 767 C PRO A 48 -2.721 7.316 -13.740 1.00 55.53 C ATOM 768 O PRO A 48 -3.888 7.589 -13.465 1.00 41.31 O ATOM 769 CB PRO A 48 -2.673 5.077 -14.874 1.00 33.34 C ATOM 770 CG PRO A 48 -1.374 4.470 -14.468 1.00 73.33 C ATOM 771 CD PRO A 48 -0.307 5.283 -15.150 1.00 0.44 C ATOM 0 HA PRO A 48 -2.960 7.058 -15.803 1.00 44.15 H new ATOM 0 HB2 PRO A 48 -3.444 4.901 -14.124 1.00 33.34 H new ATOM 0 HB3 PRO A 48 -3.035 4.650 -15.809 1.00 33.34 H new ATOM 0 HG2 PRO A 48 -1.252 4.496 -13.385 1.00 73.33 H new ATOM 0 HG3 PRO A 48 -1.321 3.424 -14.770 1.00 73.33 H new ATOM 0 HD2 PRO A 48 0.599 5.344 -14.547 1.00 0.44 H new ATOM 0 HD3 PRO A 48 -0.023 4.849 -16.109 1.00 0.44 H new ATOM 779 N GLY A 49 -1.698 7.643 -12.956 1.00 14.32 N ATOM 780 CA GLY A 49 -1.915 8.354 -11.711 1.00 3.35 C ATOM 781 C GLY A 49 -2.429 9.763 -11.929 1.00 10.33 C ATOM 782 O GLY A 49 -2.851 10.431 -10.984 1.00 64.14 O ATOM 0 H GLY A 49 -0.722 7.428 -13.162 1.00 14.32 H new ATOM 0 HA2 GLY A 49 -2.629 7.801 -11.100 1.00 3.35 H new ATOM 0 HA3 GLY A 49 -0.980 8.394 -11.152 1.00 3.35 H new ATOM 786 N LEU A 50 -2.394 10.217 -13.177 1.00 71.25 N ATOM 787 CA LEU A 50 -2.857 11.558 -13.517 1.00 3.44 C ATOM 788 C LEU A 50 -4.382 11.612 -13.556 1.00 71.12 C ATOM 789 O LEU A 50 -4.980 12.677 -13.390 1.00 54.31 O ATOM 790 CB LEU A 50 -2.286 11.989 -14.869 1.00 42.11 C ATOM 791 CG LEU A 50 -0.764 11.928 -15.004 1.00 52.42 C ATOM 792 CD1 LEU A 50 -0.325 12.495 -16.345 1.00 53.43 C ATOM 793 CD2 LEU A 50 -0.096 12.678 -13.861 1.00 22.33 C ATOM 0 H LEU A 50 -2.050 9.676 -13.970 1.00 71.25 H new ATOM 0 HA LEU A 50 -2.506 12.244 -12.746 1.00 3.44 H new ATOM 0 HB2 LEU A 50 -2.725 11.360 -15.644 1.00 42.11 H new ATOM 0 HB3 LEU A 50 -2.608 13.011 -15.068 1.00 42.11 H new ATOM 0 HG LEU A 50 -0.455 10.884 -14.955 1.00 52.42 H new ATOM 0 HD11 LEU A 50 0.761 12.444 -16.424 1.00 53.43 H new ATOM 0 HD12 LEU A 50 -0.775 11.915 -17.150 1.00 53.43 H new ATOM 0 HD13 LEU A 50 -0.646 13.534 -16.423 1.00 53.43 H new ATOM 0 HD21 LEU A 50 0.987 12.624 -13.974 1.00 22.33 H new ATOM 0 HD22 LEU A 50 -0.411 13.721 -13.877 1.00 22.33 H new ATOM 0 HD23 LEU A 50 -0.385 12.227 -12.912 1.00 22.33 H new ATOM 805 N LEU A 51 -5.004 10.459 -13.773 1.00 2.41 N ATOM 806 CA LEU A 51 -6.459 10.375 -13.831 1.00 42.23 C ATOM 807 C LEU A 51 -7.063 10.391 -12.429 1.00 73.04 C ATOM 808 O LEU A 51 -8.238 10.708 -12.254 1.00 20.24 O ATOM 809 CB LEU A 51 -6.887 9.104 -14.567 1.00 2.41 C ATOM 810 CG LEU A 51 -6.689 9.108 -16.084 1.00 33.54 C ATOM 811 CD1 LEU A 51 -7.088 7.767 -16.678 1.00 44.54 C ATOM 812 CD2 LEU A 51 -7.485 10.236 -16.723 1.00 21.22 C ATOM 0 H LEU A 51 -4.524 9.570 -13.912 1.00 2.41 H new ATOM 0 HA LEU A 51 -6.826 11.245 -14.375 1.00 42.23 H new ATOM 0 HB2 LEU A 51 -6.333 8.263 -14.151 1.00 2.41 H new ATOM 0 HB3 LEU A 51 -7.942 8.925 -14.359 1.00 2.41 H new ATOM 0 HG LEU A 51 -5.632 9.274 -16.293 1.00 33.54 H new ATOM 0 HD11 LEU A 51 -6.940 7.789 -17.758 1.00 44.54 H new ATOM 0 HD12 LEU A 51 -6.473 6.979 -16.244 1.00 44.54 H new ATOM 0 HD13 LEU A 51 -8.138 7.570 -16.459 1.00 44.54 H new ATOM 0 HD21 LEU A 51 -7.332 10.223 -17.802 1.00 21.22 H new ATOM 0 HD22 LEU A 51 -8.545 10.102 -16.505 1.00 21.22 H new ATOM 0 HD23 LEU A 51 -7.149 11.192 -16.320 1.00 21.22 H new ATOM 824 N GLU A 52 -6.248 10.050 -11.436 1.00 73.43 N ATOM 825 CA GLU A 52 -6.701 10.027 -10.050 1.00 51.52 C ATOM 826 C GLU A 52 -6.360 11.336 -9.345 1.00 62.32 C ATOM 827 O GLU A 52 -6.269 11.389 -8.118 1.00 32.32 O ATOM 828 CB GLU A 52 -6.067 8.852 -9.302 1.00 42.44 C ATOM 829 CG GLU A 52 -4.559 8.962 -9.161 1.00 65.52 C ATOM 830 CD GLU A 52 -4.004 8.038 -8.096 1.00 35.14 C ATOM 831 OE1 GLU A 52 -4.752 7.699 -7.155 1.00 21.24 O1- ATOM 832 OE2 GLU A 52 -2.822 7.651 -8.203 1.00 74.44 O ATOM 0 H GLU A 52 -5.271 9.786 -11.565 1.00 73.43 H new ATOM 0 HA GLU A 52 -7.784 9.906 -10.051 1.00 51.52 H new ATOM 0 HB2 GLU A 52 -6.512 8.782 -8.309 1.00 42.44 H new ATOM 0 HB3 GLU A 52 -6.308 7.927 -9.825 1.00 42.44 H new ATOM 0 HG2 GLU A 52 -4.091 8.730 -10.118 1.00 65.52 H new ATOM 0 HG3 GLU A 52 -4.295 9.991 -8.918 1.00 65.52 H new ATOM 839 N THR A 53 -6.171 12.394 -10.130 1.00 11.25 N ATOM 840 CA THR A 53 -5.839 13.702 -9.582 1.00 31.31 C ATOM 841 C THR A 53 -6.430 14.821 -10.433 1.00 35.03 C ATOM 842 O THR A 53 -6.099 14.958 -11.610 1.00 74.34 O ATOM 843 CB THR A 53 -4.314 13.898 -9.483 1.00 62.11 C ATOM 844 OG1 THR A 53 -4.015 15.267 -9.186 1.00 55.13 O ATOM 845 CG2 THR A 53 -3.631 13.494 -10.780 1.00 54.04 C ATOM 0 H THR A 53 -6.243 12.369 -11.147 1.00 11.25 H new ATOM 0 HA THR A 53 -6.269 13.745 -8.581 1.00 31.31 H new ATOM 0 HB THR A 53 -3.939 13.262 -8.681 1.00 62.11 H new ATOM 0 HG1 THR A 53 -3.064 15.354 -8.966 1.00 55.13 H new ATOM 0 HG21 THR A 53 -2.555 13.641 -10.686 1.00 54.04 H new ATOM 0 HG22 THR A 53 -3.837 12.444 -10.988 1.00 54.04 H new ATOM 0 HG23 THR A 53 -4.011 14.107 -11.597 1.00 54.04 H new ATOM 853 N SER A 54 -7.306 15.618 -9.828 1.00 54.11 N ATOM 854 CA SER A 54 -7.945 16.723 -10.532 1.00 70.31 C ATOM 855 C SER A 54 -6.905 17.708 -11.057 1.00 32.53 C ATOM 856 O SER A 54 -7.170 18.472 -11.983 1.00 61.12 O ATOM 857 CB SER A 54 -8.927 17.444 -9.607 1.00 73.44 C ATOM 858 OG SER A 54 -10.071 17.882 -10.319 1.00 14.33 O ATOM 0 H SER A 54 -7.589 15.519 -8.853 1.00 54.11 H new ATOM 0 HA SER A 54 -8.491 16.313 -11.381 1.00 70.31 H new ATOM 0 HB2 SER A 54 -9.230 16.775 -8.801 1.00 73.44 H new ATOM 0 HB3 SER A 54 -8.434 18.299 -9.143 1.00 73.44 H new ATOM 0 HG SER A 54 -9.824 18.077 -11.247 1.00 14.33 H new ATOM 864 N GLU A 55 -5.719 17.681 -10.456 1.00 71.55 N ATOM 865 CA GLU A 55 -4.638 18.573 -10.861 1.00 51.45 C ATOM 866 C GLU A 55 -3.782 17.930 -11.949 1.00 33.54 C ATOM 867 O GLU A 55 -3.587 18.500 -13.021 1.00 64.41 O ATOM 868 CB GLU A 55 -3.767 18.935 -9.657 1.00 73.42 C ATOM 869 CG GLU A 55 -4.223 20.190 -8.932 1.00 72.42 C ATOM 870 CD GLU A 55 -5.497 19.976 -8.139 1.00 32.11 C ATOM 871 OE1 GLU A 55 -5.654 18.885 -7.552 1.00 33.23 O ATOM 872 OE2 GLU A 55 -6.339 20.898 -8.106 1.00 31.31 O1- ATOM 0 H GLU A 55 -5.483 17.052 -9.688 1.00 71.55 H new ATOM 0 HA GLU A 55 -5.083 19.483 -11.263 1.00 51.45 H new ATOM 0 HB2 GLU A 55 -3.766 18.100 -8.956 1.00 73.42 H new ATOM 0 HB3 GLU A 55 -2.739 19.072 -9.991 1.00 73.42 H new ATOM 0 HG2 GLU A 55 -3.433 20.524 -8.259 1.00 72.42 H new ATOM 0 HG3 GLU A 55 -4.381 20.987 -9.658 1.00 72.42 H new ATOM 879 N GLY A 56 -3.270 16.736 -11.661 1.00 32.32 N ATOM 880 CA GLY A 56 -2.439 16.035 -12.622 1.00 71.01 C ATOM 881 C GLY A 56 -3.155 15.787 -13.936 1.00 24.10 C ATOM 882 O GLY A 56 -2.517 15.555 -14.963 1.00 4.42 O ATOM 0 H GLY A 56 -3.416 16.243 -10.780 1.00 32.32 H new ATOM 0 HA2 GLY A 56 -1.535 16.616 -12.808 1.00 71.01 H new ATOM 0 HA3 GLY A 56 -2.124 15.082 -12.198 1.00 71.01 H new ATOM 886 N CYS A 57 -4.482 15.834 -13.902 1.00 71.22 N ATOM 887 CA CYS A 57 -5.286 15.610 -15.099 1.00 32.41 C ATOM 888 C CYS A 57 -5.102 16.748 -16.098 1.00 10.22 C ATOM 889 O CYS A 57 -4.964 16.517 -17.299 1.00 33.10 O ATOM 890 CB CYS A 57 -6.763 15.474 -14.728 1.00 24.33 C ATOM 891 SG CYS A 57 -7.474 13.856 -15.110 1.00 21.20 S ATOM 0 H CYS A 57 -5.024 16.025 -13.059 1.00 71.22 H new ATOM 0 HA CYS A 57 -4.950 14.684 -15.565 1.00 32.41 H new ATOM 0 HB2 CYS A 57 -6.878 15.667 -13.661 1.00 24.33 H new ATOM 0 HB3 CYS A 57 -7.331 16.242 -15.254 1.00 24.33 H new ATOM 0 HG CYS A 57 -8.725 13.838 -14.758 1.00 21.20 H new ATOM 897 N ARG A 58 -5.103 17.977 -15.593 1.00 42.10 N ATOM 898 CA ARG A 58 -4.939 19.151 -16.441 1.00 61.41 C ATOM 899 C ARG A 58 -3.701 19.018 -17.323 1.00 0.24 C ATOM 900 O ARG A 58 -3.658 19.549 -18.432 1.00 10.21 O ATOM 901 CB ARG A 58 -4.834 20.415 -15.585 1.00 61.32 C ATOM 902 CG ARG A 58 -5.884 21.463 -15.914 1.00 4.11 C ATOM 903 CD ARG A 58 -5.451 22.338 -17.080 1.00 65.31 C ATOM 904 NE ARG A 58 -4.810 23.571 -16.631 1.00 45.00 N ATOM 905 CZ ARG A 58 -4.174 24.407 -17.443 1.00 74.43 C ATOM 906 NH1 ARG A 58 -4.093 24.144 -18.740 1.00 3.43 N1+ ATOM 907 NH2 ARG A 58 -3.615 25.509 -16.959 1.00 64.21 N ATOM 0 H ARG A 58 -5.216 18.186 -14.601 1.00 42.10 H new ATOM 0 HA ARG A 58 -5.816 19.227 -17.084 1.00 61.41 H new ATOM 0 HB2 ARG A 58 -4.924 20.140 -14.534 1.00 61.32 H new ATOM 0 HB3 ARG A 58 -3.844 20.851 -15.717 1.00 61.32 H new ATOM 0 HG2 ARG A 58 -6.826 20.972 -16.156 1.00 4.11 H new ATOM 0 HG3 ARG A 58 -6.065 22.086 -15.038 1.00 4.11 H new ATOM 0 HD2 ARG A 58 -4.761 21.781 -17.714 1.00 65.31 H new ATOM 0 HD3 ARG A 58 -6.319 22.583 -17.691 1.00 65.31 H new ATOM 0 HE ARG A 58 -4.853 23.803 -15.639 1.00 45.00 H new ATOM 0 HH11 ARG A 58 -4.520 23.298 -19.116 1.00 3.43 H new ATOM 0 HH12 ARG A 58 -3.604 24.788 -19.361 1.00 3.43 H new ATOM 0 HH21 ARG A 58 -3.674 25.715 -15.962 1.00 64.21 H new ATOM 0 HH22 ARG A 58 -3.127 26.150 -17.584 1.00 64.21 H new ATOM 921 N GLN A 59 -2.698 18.304 -16.822 1.00 24.11 N ATOM 922 CA GLN A 59 -1.460 18.101 -17.563 1.00 42.11 C ATOM 923 C GLN A 59 -1.701 17.242 -18.800 1.00 12.03 C ATOM 924 O GLN A 59 -1.092 17.460 -19.848 1.00 21.43 O ATOM 925 CB GLN A 59 -0.407 17.445 -16.669 1.00 74.22 C ATOM 926 CG GLN A 59 0.614 18.425 -16.111 1.00 54.24 C ATOM 927 CD GLN A 59 -0.031 19.589 -15.385 1.00 51.43 C ATOM 928 OE1 GLN A 59 -0.576 19.428 -14.293 1.00 35.50 O ATOM 929 NE2 GLN A 59 0.028 20.769 -15.989 1.00 42.52 N ATOM 0 H GLN A 59 -2.719 17.857 -15.906 1.00 24.11 H new ATOM 0 HA GLN A 59 -1.095 19.076 -17.886 1.00 42.11 H new ATOM 0 HB2 GLN A 59 -0.907 16.943 -15.841 1.00 74.22 H new ATOM 0 HB3 GLN A 59 0.114 16.676 -17.239 1.00 74.22 H new ATOM 0 HG2 GLN A 59 1.280 17.899 -15.427 1.00 54.24 H new ATOM 0 HG3 GLN A 59 1.229 18.806 -16.926 1.00 54.24 H new ATOM 0 HE21 GLN A 59 0.490 20.856 -16.894 1.00 42.52 H new ATOM 0 HE22 GLN A 59 -0.389 21.589 -15.548 1.00 42.52 H new ATOM 938 N ILE A 60 -2.592 16.265 -18.671 1.00 34.01 N ATOM 939 CA ILE A 60 -2.913 15.373 -19.779 1.00 22.24 C ATOM 940 C ILE A 60 -3.571 16.135 -20.925 1.00 23.14 C ATOM 941 O ILE A 60 -3.033 16.201 -22.031 1.00 31.23 O ATOM 942 CB ILE A 60 -3.847 14.234 -19.332 1.00 22.02 C ATOM 943 CG1 ILE A 60 -3.224 13.461 -18.168 1.00 14.55 C ATOM 944 CG2 ILE A 60 -4.141 13.301 -20.497 1.00 32.03 C ATOM 945 CD1 ILE A 60 -4.194 12.534 -17.469 1.00 32.53 C ATOM 0 H ILE A 60 -3.104 16.071 -17.811 1.00 34.01 H new ATOM 0 HA ILE A 60 -1.971 14.946 -20.123 1.00 22.24 H new ATOM 0 HB ILE A 60 -4.788 14.668 -18.993 1.00 22.02 H new ATOM 0 HG12 ILE A 60 -2.381 12.878 -18.539 1.00 14.55 H new ATOM 0 HG13 ILE A 60 -2.826 14.171 -17.443 1.00 14.55 H new ATOM 0 HG21 ILE A 60 -4.803 12.501 -20.165 1.00 32.03 H new ATOM 0 HG22 ILE A 60 -4.623 13.861 -21.299 1.00 32.03 H new ATOM 0 HG23 ILE A 60 -3.209 12.872 -20.864 1.00 32.03 H new ATOM 0 HD11 ILE A 60 -3.683 12.019 -16.655 1.00 32.53 H new ATOM 0 HD12 ILE A 60 -5.025 13.113 -17.067 1.00 32.53 H new ATOM 0 HD13 ILE A 60 -4.573 11.801 -18.181 1.00 32.53 H new ATOM 957 N LEU A 61 -4.736 16.710 -20.652 1.00 4.12 N ATOM 958 CA LEU A 61 -5.469 17.470 -21.660 1.00 12.11 C ATOM 959 C LEU A 61 -4.583 18.544 -22.282 1.00 14.14 C ATOM 960 O LEU A 61 -4.702 18.853 -23.467 1.00 4.23 O ATOM 961 CB LEU A 61 -6.710 18.114 -21.040 1.00 3.12 C ATOM 962 CG LEU A 61 -7.719 17.154 -20.406 1.00 15.40 C ATOM 963 CD1 LEU A 61 -8.370 17.791 -19.189 1.00 43.32 C ATOM 964 CD2 LEU A 61 -8.772 16.741 -21.424 1.00 3.51 C ATOM 0 H LEU A 61 -5.194 16.665 -19.742 1.00 4.12 H new ATOM 0 HA LEU A 61 -5.779 16.780 -22.445 1.00 12.11 H new ATOM 0 HB2 LEU A 61 -6.385 18.823 -20.278 1.00 3.12 H new ATOM 0 HB3 LEU A 61 -7.221 18.688 -21.813 1.00 3.12 H new ATOM 0 HG LEU A 61 -7.187 16.260 -20.080 1.00 15.40 H new ATOM 0 HD11 LEU A 61 -9.084 17.094 -18.752 1.00 43.32 H new ATOM 0 HD12 LEU A 61 -7.604 18.035 -18.453 1.00 43.32 H new ATOM 0 HD13 LEU A 61 -8.889 18.702 -19.489 1.00 43.32 H new ATOM 0 HD21 LEU A 61 -9.482 16.058 -20.957 1.00 3.51 H new ATOM 0 HD22 LEU A 61 -9.300 17.625 -21.780 1.00 3.51 H new ATOM 0 HD23 LEU A 61 -8.289 16.243 -22.265 1.00 3.51 H new ATOM 976 N GLY A 62 -3.689 19.108 -21.474 1.00 71.23 N ATOM 977 CA GLY A 62 -2.794 20.139 -21.964 1.00 63.25 C ATOM 978 C GLY A 62 -1.923 19.657 -23.107 1.00 73.10 C ATOM 979 O GLY A 62 -1.382 20.461 -23.865 1.00 41.45 O ATOM 0 H GLY A 62 -3.569 18.869 -20.490 1.00 71.23 H new ATOM 0 HA2 GLY A 62 -3.380 20.997 -22.295 1.00 63.25 H new ATOM 0 HA3 GLY A 62 -2.159 20.482 -21.147 1.00 63.25 H new ATOM 983 N GLN A 63 -1.785 18.341 -23.229 1.00 20.04 N ATOM 984 CA GLN A 63 -0.970 17.753 -24.285 1.00 11.01 C ATOM 985 C GLN A 63 -1.848 17.152 -25.378 1.00 31.10 C ATOM 986 O GLN A 63 -1.437 17.055 -26.536 1.00 24.44 O ATOM 987 CB GLN A 63 -0.047 16.678 -23.709 1.00 24.34 C ATOM 988 CG GLN A 63 1.368 17.168 -23.446 1.00 61.10 C ATOM 989 CD GLN A 63 1.412 18.329 -22.471 1.00 41.41 C ATOM 990 OE1 GLN A 63 0.998 19.443 -22.795 1.00 75.14 O ATOM 991 NE2 GLN A 63 1.913 18.074 -21.268 1.00 53.43 N ATOM 0 H GLN A 63 -2.227 17.662 -22.610 1.00 20.04 H new ATOM 0 HA GLN A 63 -0.363 18.545 -24.724 1.00 11.01 H new ATOM 0 HB2 GLN A 63 -0.473 16.306 -22.777 1.00 24.34 H new ATOM 0 HB3 GLN A 63 -0.008 15.836 -24.400 1.00 24.34 H new ATOM 0 HG2 GLN A 63 1.966 16.346 -23.053 1.00 61.10 H new ATOM 0 HG3 GLN A 63 1.824 17.472 -24.388 1.00 61.10 H new ATOM 0 HE21 GLN A 63 2.245 17.136 -21.042 1.00 53.43 H new ATOM 0 HE22 GLN A 63 1.966 18.816 -20.570 1.00 53.43 H new ATOM 1000 N LEU A 64 -3.058 16.750 -25.005 1.00 22.23 N ATOM 1001 CA LEU A 64 -3.994 16.158 -25.953 1.00 51.25 C ATOM 1002 C LEU A 64 -4.706 17.238 -26.762 1.00 73.35 C ATOM 1003 O LEU A 64 -5.143 16.998 -27.887 1.00 52.43 O ATOM 1004 CB LEU A 64 -5.022 15.297 -25.216 1.00 42.03 C ATOM 1005 CG LEU A 64 -4.677 13.814 -25.076 1.00 32.45 C ATOM 1006 CD1 LEU A 64 -5.668 13.121 -24.154 1.00 3.34 C ATOM 1007 CD2 LEU A 64 -4.652 13.139 -26.439 1.00 73.32 C ATOM 0 H LEU A 64 -3.414 16.824 -24.052 1.00 22.23 H new ATOM 0 HA LEU A 64 -3.427 15.529 -26.640 1.00 51.25 H new ATOM 0 HB2 LEU A 64 -5.166 15.712 -24.218 1.00 42.03 H new ATOM 0 HB3 LEU A 64 -5.976 15.380 -25.736 1.00 42.03 H new ATOM 0 HG LEU A 64 -3.683 13.733 -24.636 1.00 32.45 H new ATOM 0 HD11 LEU A 64 -5.407 12.066 -24.066 1.00 3.34 H new ATOM 0 HD12 LEU A 64 -5.635 13.586 -23.169 1.00 3.34 H new ATOM 0 HD13 LEU A 64 -6.673 13.213 -24.565 1.00 3.34 H new ATOM 0 HD21 LEU A 64 -4.405 12.084 -26.318 1.00 73.32 H new ATOM 0 HD22 LEU A 64 -5.631 13.231 -26.908 1.00 73.32 H new ATOM 0 HD23 LEU A 64 -3.902 13.618 -27.068 1.00 73.32 H new ATOM 1019 N GLN A 65 -4.815 18.428 -26.181 1.00 45.33 N ATOM 1020 CA GLN A 65 -5.473 19.545 -26.849 1.00 71.44 C ATOM 1021 C GLN A 65 -4.891 19.766 -28.243 1.00 23.04 C ATOM 1022 O GLN A 65 -5.584 19.659 -29.255 1.00 63.41 O ATOM 1023 CB GLN A 65 -5.329 20.821 -26.017 1.00 1.22 C ATOM 1024 CG GLN A 65 -6.596 21.206 -25.270 1.00 22.42 C ATOM 1025 CD GLN A 65 -6.790 22.707 -25.185 1.00 41.42 C ATOM 1026 OE1 GLN A 65 -6.435 23.335 -24.186 1.00 43.42 O ATOM 1027 NE2 GLN A 65 -7.355 23.291 -26.235 1.00 63.31 N ATOM 0 H GLN A 65 -4.457 18.644 -25.251 1.00 45.33 H new ATOM 0 HA GLN A 65 -6.531 19.302 -26.950 1.00 71.44 H new ATOM 0 HB2 GLN A 65 -4.520 20.687 -25.299 1.00 1.22 H new ATOM 0 HB3 GLN A 65 -5.040 21.642 -26.673 1.00 1.22 H new ATOM 0 HG2 GLN A 65 -7.457 20.760 -25.768 1.00 22.42 H new ATOM 0 HG3 GLN A 65 -6.560 20.791 -24.263 1.00 22.42 H new ATOM 0 HE21 GLN A 65 -7.633 22.732 -27.041 1.00 63.31 H new ATOM 0 HE22 GLN A 65 -7.511 24.299 -26.235 1.00 63.31 H new ATOM 1036 N PRO A 66 -3.588 20.080 -28.297 1.00 64.22 N ATOM 1037 CA PRO A 66 -2.885 20.321 -29.560 1.00 60.12 C ATOM 1038 C PRO A 66 -2.713 19.047 -30.380 1.00 43.22 C ATOM 1039 O PRO A 66 -2.431 19.101 -31.578 1.00 4.24 O ATOM 1040 CB PRO A 66 -1.523 20.857 -29.111 1.00 55.40 C ATOM 1041 CG PRO A 66 -1.331 20.301 -27.743 1.00 70.20 C ATOM 1042 CD PRO A 66 -2.702 20.224 -27.131 1.00 33.23 C ATOM 0 HA PRO A 66 -3.434 21.004 -30.209 1.00 60.12 H new ATOM 0 HB2 PRO A 66 -0.729 20.535 -29.785 1.00 55.40 H new ATOM 0 HB3 PRO A 66 -1.510 21.947 -29.101 1.00 55.40 H new ATOM 0 HG2 PRO A 66 -0.866 19.316 -27.784 1.00 70.20 H new ATOM 0 HG3 PRO A 66 -0.675 20.939 -27.151 1.00 70.20 H new ATOM 0 HD2 PRO A 66 -2.792 19.377 -26.451 1.00 33.23 H new ATOM 0 HD3 PRO A 66 -2.936 21.120 -26.556 1.00 33.23 H new ATOM 1050 N SER A 67 -2.884 17.901 -29.728 1.00 42.25 N ATOM 1051 CA SER A 67 -2.744 16.613 -30.397 1.00 62.43 C ATOM 1052 C SER A 67 -4.029 16.239 -31.130 1.00 44.13 C ATOM 1053 O SER A 67 -4.003 15.499 -32.115 1.00 21.22 O ATOM 1054 CB SER A 67 -2.387 15.524 -29.383 1.00 63.22 C ATOM 1055 OG SER A 67 -1.130 15.781 -28.782 1.00 14.24 O ATOM 0 H SER A 67 -3.120 17.838 -28.738 1.00 42.25 H new ATOM 0 HA SER A 67 -1.940 16.697 -31.128 1.00 62.43 H new ATOM 0 HB2 SER A 67 -3.158 15.472 -28.614 1.00 63.22 H new ATOM 0 HB3 SER A 67 -2.365 14.554 -29.879 1.00 63.22 H new ATOM 0 HG SER A 67 -1.235 16.456 -28.080 1.00 14.24 H new ATOM 1061 N LEU A 68 -5.152 16.755 -30.644 1.00 3.21 N ATOM 1062 CA LEU A 68 -6.448 16.477 -31.252 1.00 10.45 C ATOM 1063 C LEU A 68 -6.421 16.766 -32.749 1.00 51.14 C ATOM 1064 O LEU A 68 -7.128 16.126 -33.526 1.00 43.43 O ATOM 1065 CB LEU A 68 -7.539 17.312 -30.579 1.00 61.55 C ATOM 1066 CG LEU A 68 -8.003 16.829 -29.205 1.00 5.02 C ATOM 1067 CD1 LEU A 68 -8.402 18.008 -28.331 1.00 41.22 C ATOM 1068 CD2 LEU A 68 -9.162 15.852 -29.347 1.00 1.01 C ATOM 0 H LEU A 68 -5.191 17.369 -29.830 1.00 3.21 H new ATOM 0 HA LEU A 68 -6.669 15.419 -31.109 1.00 10.45 H new ATOM 0 HB2 LEU A 68 -7.176 18.335 -30.479 1.00 61.55 H new ATOM 0 HB3 LEU A 68 -8.404 17.345 -31.241 1.00 61.55 H new ATOM 0 HG LEU A 68 -7.173 16.311 -28.724 1.00 5.02 H new ATOM 0 HD11 LEU A 68 -8.729 17.644 -27.357 1.00 41.22 H new ATOM 0 HD12 LEU A 68 -7.547 18.671 -28.202 1.00 41.22 H new ATOM 0 HD13 LEU A 68 -9.216 18.554 -28.807 1.00 41.22 H new ATOM 0 HD21 LEU A 68 -9.480 15.518 -28.359 1.00 1.01 H new ATOM 0 HD22 LEU A 68 -9.995 16.346 -29.848 1.00 1.01 H new ATOM 0 HD23 LEU A 68 -8.843 14.992 -29.935 1.00 1.01 H new ATOM 1080 N GLN A 69 -5.598 17.731 -33.145 1.00 72.35 N ATOM 1081 CA GLN A 69 -5.477 18.103 -34.550 1.00 64.30 C ATOM 1082 C GLN A 69 -5.171 16.884 -35.412 1.00 14.25 C ATOM 1083 O GLN A 69 -5.772 16.688 -36.469 1.00 64.24 O ATOM 1084 CB GLN A 69 -4.383 19.157 -34.728 1.00 64.01 C ATOM 1085 CG GLN A 69 -4.289 19.703 -36.144 1.00 62.01 C ATOM 1086 CD GLN A 69 -3.417 20.940 -36.236 1.00 11.04 C ATOM 1087 OE1 GLN A 69 -3.693 21.957 -35.601 1.00 23.42 O ATOM 1088 NE2 GLN A 69 -2.354 20.857 -37.029 1.00 4.13 N ATOM 0 H GLN A 69 -5.005 18.269 -32.513 1.00 72.35 H new ATOM 0 HA GLN A 69 -6.430 18.522 -34.872 1.00 64.30 H new ATOM 0 HB2 GLN A 69 -4.570 19.982 -34.041 1.00 64.01 H new ATOM 0 HB3 GLN A 69 -3.423 18.722 -34.451 1.00 64.01 H new ATOM 0 HG2 GLN A 69 -3.888 18.931 -36.801 1.00 62.01 H new ATOM 0 HG3 GLN A 69 -5.290 19.941 -36.505 1.00 62.01 H new ATOM 0 HE21 GLN A 69 -2.163 19.993 -37.537 1.00 4.13 H new ATOM 0 HE22 GLN A 69 -1.729 21.657 -37.129 1.00 4.13 H new ATOM 1097 N THR A 70 -4.230 16.063 -34.954 1.00 61.02 N ATOM 1098 CA THR A 70 -3.842 14.862 -35.683 1.00 62.44 C ATOM 1099 C THR A 70 -3.998 13.618 -34.817 1.00 12.00 C ATOM 1100 O THR A 70 -3.145 12.731 -34.828 1.00 1.22 O ATOM 1101 CB THR A 70 -2.385 14.952 -36.176 1.00 14.22 C ATOM 1102 OG1 THR A 70 -2.015 16.321 -36.365 1.00 51.25 O ATOM 1103 CG2 THR A 70 -2.208 14.188 -37.480 1.00 11.15 C ATOM 0 H THR A 70 -3.723 16.209 -34.081 1.00 61.02 H new ATOM 0 HA THR A 70 -4.506 14.786 -36.544 1.00 62.44 H new ATOM 0 HB THR A 70 -1.740 14.504 -35.420 1.00 14.22 H new ATOM 0 HG1 THR A 70 -1.087 16.369 -36.677 1.00 51.25 H new ATOM 0 HG21 THR A 70 -1.172 14.265 -37.809 1.00 11.15 H new ATOM 0 HG22 THR A 70 -2.462 13.139 -37.325 1.00 11.15 H new ATOM 0 HG23 THR A 70 -2.863 14.611 -38.241 1.00 11.15 H new ATOM 1111 N GLY A 71 -5.094 13.558 -34.067 1.00 31.23 N ATOM 1112 CA GLY A 71 -5.342 12.417 -33.205 1.00 64.34 C ATOM 1113 C GLY A 71 -6.237 11.382 -33.857 1.00 14.05 C ATOM 1114 O GLY A 71 -7.193 11.727 -34.551 1.00 31.34 O ATOM 0 H GLY A 71 -5.815 14.279 -34.041 1.00 31.23 H new ATOM 0 HA2 GLY A 71 -4.392 11.954 -32.937 1.00 64.34 H new ATOM 0 HA3 GLY A 71 -5.802 12.759 -32.278 1.00 64.34 H new ATOM 1118 N SER A 72 -5.925 10.109 -33.635 1.00 13.41 N ATOM 1119 CA SER A 72 -6.704 9.019 -34.211 1.00 64.54 C ATOM 1120 C SER A 72 -7.840 8.611 -33.278 1.00 32.52 C ATOM 1121 O SER A 72 -8.105 9.278 -32.278 1.00 60.20 O ATOM 1122 CB SER A 72 -5.805 7.815 -34.496 1.00 30.00 C ATOM 1123 OG SER A 72 -5.393 7.190 -33.292 1.00 42.04 O ATOM 0 H SER A 72 -5.138 9.807 -33.060 1.00 13.41 H new ATOM 0 HA SER A 72 -7.135 9.370 -35.148 1.00 64.54 H new ATOM 0 HB2 SER A 72 -6.340 7.097 -35.118 1.00 30.00 H new ATOM 0 HB3 SER A 72 -4.930 8.136 -35.061 1.00 30.00 H new ATOM 0 HG SER A 72 -4.821 6.422 -33.501 1.00 42.04 H new ATOM 1129 N GLU A 73 -8.505 7.511 -33.612 1.00 10.44 N ATOM 1130 CA GLU A 73 -9.613 7.014 -32.804 1.00 14.14 C ATOM 1131 C GLU A 73 -9.201 6.878 -31.341 1.00 13.12 C ATOM 1132 O GLU A 73 -9.969 7.206 -30.437 1.00 53.10 O ATOM 1133 CB GLU A 73 -10.097 5.663 -33.337 1.00 40.21 C ATOM 1134 CG GLU A 73 -11.500 5.296 -32.884 1.00 22.41 C ATOM 1135 CD GLU A 73 -12.311 4.632 -33.978 1.00 42.51 C ATOM 1136 OE1 GLU A 73 -11.703 4.024 -34.884 1.00 24.23 O1- ATOM 1137 OE2 GLU A 73 -13.557 4.719 -33.928 1.00 72.15 O ATOM 0 H GLU A 73 -8.297 6.947 -34.436 1.00 10.44 H new ATOM 0 HA GLU A 73 -10.428 7.735 -32.869 1.00 14.14 H new ATOM 0 HB2 GLU A 73 -10.069 5.681 -34.427 1.00 40.21 H new ATOM 0 HB3 GLU A 73 -9.405 4.885 -33.013 1.00 40.21 H new ATOM 0 HG2 GLU A 73 -11.437 4.626 -32.026 1.00 22.41 H new ATOM 0 HG3 GLU A 73 -12.017 6.196 -32.549 1.00 22.41 H new ATOM 1144 N GLU A 74 -7.984 6.390 -31.118 1.00 41.21 N ATOM 1145 CA GLU A 74 -7.471 6.209 -29.765 1.00 11.10 C ATOM 1146 C GLU A 74 -7.394 7.544 -29.030 1.00 0.25 C ATOM 1147 O GLU A 74 -7.908 7.684 -27.919 1.00 62.13 O ATOM 1148 CB GLU A 74 -6.089 5.554 -29.804 1.00 23.23 C ATOM 1149 CG GLU A 74 -6.133 4.037 -29.744 1.00 35.22 C ATOM 1150 CD GLU A 74 -6.692 3.419 -31.010 1.00 4.41 C ATOM 1151 OE1 GLU A 74 -6.085 3.615 -32.084 1.00 33.23 O ATOM 1152 OE2 GLU A 74 -7.737 2.739 -30.929 1.00 64.42 O1- ATOM 0 H GLU A 74 -7.336 6.113 -31.856 1.00 41.21 H new ATOM 0 HA GLU A 74 -8.159 5.557 -29.226 1.00 11.10 H new ATOM 0 HB2 GLU A 74 -5.578 5.858 -30.717 1.00 23.23 H new ATOM 0 HB3 GLU A 74 -5.496 5.925 -28.968 1.00 23.23 H new ATOM 0 HG2 GLU A 74 -5.127 3.655 -29.571 1.00 35.22 H new ATOM 0 HG3 GLU A 74 -6.742 3.728 -28.894 1.00 35.22 H new ATOM 1159 N LEU A 75 -6.747 8.520 -29.656 1.00 23.30 N ATOM 1160 CA LEU A 75 -6.601 9.846 -29.062 1.00 11.44 C ATOM 1161 C LEU A 75 -7.960 10.425 -28.682 1.00 0.11 C ATOM 1162 O LEU A 75 -8.156 10.890 -27.560 1.00 23.35 O ATOM 1163 CB LEU A 75 -5.886 10.785 -30.034 1.00 20.43 C ATOM 1164 CG LEU A 75 -4.697 11.561 -29.465 1.00 22.11 C ATOM 1165 CD1 LEU A 75 -3.394 11.061 -30.070 1.00 42.22 C ATOM 1166 CD2 LEU A 75 -4.866 13.053 -29.714 1.00 33.23 C ATOM 0 H LEU A 75 -6.315 8.420 -30.574 1.00 23.30 H new ATOM 0 HA LEU A 75 -6.003 9.748 -28.156 1.00 11.44 H new ATOM 0 HB2 LEU A 75 -5.538 10.199 -30.885 1.00 20.43 H new ATOM 0 HB3 LEU A 75 -6.613 11.502 -30.416 1.00 20.43 H new ATOM 0 HG LEU A 75 -4.660 11.395 -28.388 1.00 22.11 H new ATOM 0 HD11 LEU A 75 -2.559 11.625 -29.653 1.00 42.22 H new ATOM 0 HD12 LEU A 75 -3.268 10.003 -29.840 1.00 42.22 H new ATOM 0 HD13 LEU A 75 -3.419 11.196 -31.151 1.00 42.22 H new ATOM 0 HD21 LEU A 75 -4.011 13.590 -29.303 1.00 33.23 H new ATOM 0 HD22 LEU A 75 -4.929 13.238 -30.786 1.00 33.23 H new ATOM 0 HD23 LEU A 75 -5.779 13.401 -29.232 1.00 33.23 H new ATOM 1178 N ARG A 76 -8.896 10.392 -29.625 1.00 0.40 N ATOM 1179 CA ARG A 76 -10.237 10.912 -29.390 1.00 71.45 C ATOM 1180 C ARG A 76 -10.846 10.297 -28.133 1.00 65.14 C ATOM 1181 O ARG A 76 -11.326 11.010 -27.251 1.00 43.35 O ATOM 1182 CB ARG A 76 -11.135 10.632 -30.596 1.00 22.45 C ATOM 1183 CG ARG A 76 -11.476 11.873 -31.404 1.00 15.43 C ATOM 1184 CD ARG A 76 -12.749 11.679 -32.212 1.00 3.32 C ATOM 1185 NE ARG A 76 -13.795 12.622 -31.821 1.00 11.23 N ATOM 1186 CZ ARG A 76 -15.040 12.571 -32.282 1.00 71.14 C ATOM 1187 NH1 ARG A 76 -15.392 11.629 -33.146 1.00 61.12 N1+ ATOM 1188 NH2 ARG A 76 -15.934 13.463 -31.879 1.00 70.42 N ATOM 0 H ARG A 76 -8.750 10.010 -30.559 1.00 0.40 H new ATOM 0 HA ARG A 76 -10.162 11.990 -29.246 1.00 71.45 H new ATOM 0 HB2 ARG A 76 -10.641 9.910 -31.246 1.00 22.45 H new ATOM 0 HB3 ARG A 76 -12.059 10.169 -30.250 1.00 22.45 H new ATOM 0 HG2 ARG A 76 -11.596 12.724 -30.733 1.00 15.43 H new ATOM 0 HG3 ARG A 76 -10.650 12.110 -32.075 1.00 15.43 H new ATOM 0 HD2 ARG A 76 -12.528 11.802 -33.272 1.00 3.32 H new ATOM 0 HD3 ARG A 76 -13.111 10.660 -32.078 1.00 3.32 H new ATOM 0 HE ARG A 76 -13.556 13.359 -31.158 1.00 11.23 H new ATOM 0 HH11 ARG A 76 -14.706 10.941 -33.458 1.00 61.12 H new ATOM 0 HH12 ARG A 76 -16.348 11.592 -33.498 1.00 61.12 H new ATOM 0 HH21 ARG A 76 -15.666 14.189 -31.215 1.00 70.42 H new ATOM 0 HH22 ARG A 76 -16.890 13.423 -32.233 1.00 70.42 H new ATOM 1202 N SER A 77 -10.823 8.971 -28.059 1.00 21.12 N ATOM 1203 CA SER A 77 -11.377 8.260 -26.914 1.00 23.15 C ATOM 1204 C SER A 77 -10.761 8.762 -25.611 1.00 63.45 C ATOM 1205 O SER A 77 -11.454 8.935 -24.608 1.00 54.11 O ATOM 1206 CB SER A 77 -11.139 6.755 -27.056 1.00 35.33 C ATOM 1207 OG SER A 77 -12.134 6.155 -27.865 1.00 0.51 O ATOM 0 H SER A 77 -10.426 8.367 -28.779 1.00 21.12 H new ATOM 0 HA SER A 77 -12.450 8.450 -26.886 1.00 23.15 H new ATOM 0 HB2 SER A 77 -10.156 6.579 -27.493 1.00 35.33 H new ATOM 0 HB3 SER A 77 -11.138 6.289 -26.070 1.00 35.33 H new ATOM 0 HG SER A 77 -11.958 5.194 -27.941 1.00 0.51 H new ATOM 1213 N LEU A 78 -9.454 8.998 -25.636 1.00 33.23 N ATOM 1214 CA LEU A 78 -8.741 9.483 -24.458 1.00 12.23 C ATOM 1215 C LEU A 78 -9.294 10.829 -24.003 1.00 31.43 C ATOM 1216 O LEU A 78 -9.749 10.973 -22.868 1.00 41.34 O ATOM 1217 CB LEU A 78 -7.246 9.607 -24.758 1.00 3.14 C ATOM 1218 CG LEU A 78 -6.350 8.521 -24.161 1.00 21.40 C ATOM 1219 CD1 LEU A 78 -6.507 8.471 -22.649 1.00 75.15 C ATOM 1220 CD2 LEU A 78 -6.669 7.167 -24.778 1.00 33.40 C ATOM 0 H LEU A 78 -8.866 8.862 -26.458 1.00 33.23 H new ATOM 0 HA LEU A 78 -8.885 8.762 -23.654 1.00 12.23 H new ATOM 0 HB2 LEU A 78 -7.112 9.607 -25.840 1.00 3.14 H new ATOM 0 HB3 LEU A 78 -6.902 10.575 -24.394 1.00 3.14 H new ATOM 0 HG LEU A 78 -5.313 8.766 -24.390 1.00 21.40 H new ATOM 0 HD11 LEU A 78 -5.862 7.692 -22.242 1.00 75.15 H new ATOM 0 HD12 LEU A 78 -6.227 9.434 -22.222 1.00 75.15 H new ATOM 0 HD13 LEU A 78 -7.545 8.251 -22.398 1.00 75.15 H new ATOM 0 HD21 LEU A 78 -6.022 6.407 -24.341 1.00 33.40 H new ATOM 0 HD22 LEU A 78 -7.711 6.914 -24.581 1.00 33.40 H new ATOM 0 HD23 LEU A 78 -6.503 7.210 -25.855 1.00 33.40 H new ATOM 1232 N TYR A 79 -9.253 11.811 -24.896 1.00 21.51 N ATOM 1233 CA TYR A 79 -9.750 13.147 -24.585 1.00 54.13 C ATOM 1234 C TYR A 79 -11.172 13.085 -24.034 1.00 35.42 C ATOM 1235 O TYR A 79 -11.560 13.900 -23.198 1.00 44.33 O ATOM 1236 CB TYR A 79 -9.714 14.030 -25.835 1.00 1.14 C ATOM 1237 CG TYR A 79 -9.613 15.508 -25.529 1.00 2.45 C ATOM 1238 CD1 TYR A 79 -8.476 16.037 -24.931 1.00 51.03 C ATOM 1239 CD2 TYR A 79 -10.656 16.374 -25.837 1.00 32.45 C ATOM 1240 CE1 TYR A 79 -8.380 17.386 -24.649 1.00 14.12 C ATOM 1241 CE2 TYR A 79 -10.566 17.724 -25.559 1.00 3.20 C ATOM 1242 CZ TYR A 79 -9.427 18.226 -24.965 1.00 0.41 C ATOM 1243 OH TYR A 79 -9.336 19.570 -24.687 1.00 33.23 O ATOM 0 H TYR A 79 -8.881 11.708 -25.840 1.00 21.51 H new ATOM 0 HA TYR A 79 -9.103 13.580 -23.822 1.00 54.13 H new ATOM 0 HB2 TYR A 79 -8.865 13.736 -26.453 1.00 1.14 H new ATOM 0 HB3 TYR A 79 -10.614 13.850 -26.423 1.00 1.14 H new ATOM 0 HD1 TYR A 79 -7.653 15.383 -24.682 1.00 51.03 H new ATOM 0 HD2 TYR A 79 -11.550 15.985 -26.301 1.00 32.45 H new ATOM 0 HE1 TYR A 79 -7.489 17.781 -24.183 1.00 14.12 H new ATOM 0 HE2 TYR A 79 -11.384 18.384 -25.806 1.00 3.20 H new ATOM 0 HH TYR A 79 -10.158 20.020 -24.973 1.00 33.23 H new ATOM 1253 N ASN A 80 -11.941 12.110 -24.507 1.00 71.30 N ATOM 1254 CA ASN A 80 -13.319 11.940 -24.062 1.00 62.20 C ATOM 1255 C ASN A 80 -13.369 11.512 -22.597 1.00 40.44 C ATOM 1256 O ASN A 80 -13.977 12.184 -21.763 1.00 14.34 O ATOM 1257 CB ASN A 80 -14.035 10.905 -24.932 1.00 72.53 C ATOM 1258 CG ASN A 80 -14.653 11.521 -26.172 1.00 74.01 C ATOM 1259 OD1 ASN A 80 -14.535 12.725 -26.406 1.00 54.41 O ATOM 1260 ND2 ASN A 80 -15.316 10.697 -26.974 1.00 53.45 N ATOM 0 H ASN A 80 -11.633 11.426 -25.198 1.00 71.30 H new ATOM 0 HA ASN A 80 -13.827 12.900 -24.160 1.00 62.20 H new ATOM 0 HB2 ASN A 80 -13.327 10.131 -25.228 1.00 72.53 H new ATOM 0 HB3 ASN A 80 -14.813 10.417 -24.345 1.00 72.53 H new ATOM 0 HD21 ASN A 80 -15.753 11.054 -27.824 1.00 53.45 H new ATOM 0 HD22 ASN A 80 -15.388 9.707 -26.741 1.00 53.45 H new ATOM 1267 N THR A 81 -12.724 10.390 -22.293 1.00 45.24 N ATOM 1268 CA THR A 81 -12.695 9.871 -20.932 1.00 22.22 C ATOM 1269 C THR A 81 -12.008 10.849 -19.985 1.00 53.31 C ATOM 1270 O THR A 81 -12.569 11.230 -18.958 1.00 21.54 O ATOM 1271 CB THR A 81 -11.972 8.514 -20.863 1.00 34.44 C ATOM 1272 OG1 THR A 81 -12.518 7.617 -21.837 1.00 34.24 O ATOM 1273 CG2 THR A 81 -12.098 7.902 -19.476 1.00 70.40 C ATOM 0 H THR A 81 -12.215 9.824 -22.971 1.00 45.24 H new ATOM 0 HA THR A 81 -13.732 9.738 -20.623 1.00 22.22 H new ATOM 0 HB THR A 81 -10.916 8.680 -21.074 1.00 34.44 H new ATOM 0 HG1 THR A 81 -12.172 7.848 -22.724 1.00 34.24 H new ATOM 0 HG21 THR A 81 -11.579 6.944 -19.453 1.00 70.40 H new ATOM 0 HG22 THR A 81 -11.654 8.573 -18.741 1.00 70.40 H new ATOM 0 HG23 THR A 81 -13.151 7.750 -19.240 1.00 70.40 H new ATOM 1281 N ILE A 82 -10.792 11.252 -20.339 1.00 32.23 N ATOM 1282 CA ILE A 82 -10.030 12.187 -19.521 1.00 34.22 C ATOM 1283 C ILE A 82 -10.846 13.437 -19.210 1.00 63.33 C ATOM 1284 O ILE A 82 -10.765 13.986 -18.112 1.00 61.21 O ATOM 1285 CB ILE A 82 -8.719 12.602 -20.214 1.00 73.03 C ATOM 1286 CG1 ILE A 82 -7.861 11.371 -20.511 1.00 33.23 C ATOM 1287 CG2 ILE A 82 -7.953 13.593 -19.350 1.00 3.31 C ATOM 1288 CD1 ILE A 82 -6.731 11.640 -21.479 1.00 44.21 C ATOM 0 H ILE A 82 -10.314 10.946 -21.186 1.00 32.23 H new ATOM 0 HA ILE A 82 -9.792 11.671 -18.591 1.00 34.22 H new ATOM 0 HB ILE A 82 -8.963 13.087 -21.159 1.00 73.03 H new ATOM 0 HG12 ILE A 82 -7.446 10.994 -19.576 1.00 33.23 H new ATOM 0 HG13 ILE A 82 -8.497 10.585 -20.917 1.00 33.23 H new ATOM 0 HG21 ILE A 82 -7.029 13.877 -19.854 1.00 3.31 H new ATOM 0 HG22 ILE A 82 -8.564 14.481 -19.186 1.00 3.31 H new ATOM 0 HG23 ILE A 82 -7.717 13.133 -18.391 1.00 3.31 H new ATOM 0 HD11 ILE A 82 -6.166 10.723 -21.642 1.00 44.21 H new ATOM 0 HD12 ILE A 82 -7.140 11.988 -22.428 1.00 44.21 H new ATOM 0 HD13 ILE A 82 -6.072 12.404 -21.066 1.00 44.21 H new ATOM 1300 N ALA A 83 -11.633 13.881 -20.185 1.00 13.54 N ATOM 1301 CA ALA A 83 -12.467 15.064 -20.015 1.00 11.55 C ATOM 1302 C ALA A 83 -13.470 14.871 -18.883 1.00 31.34 C ATOM 1303 O ALA A 83 -13.464 15.614 -17.900 1.00 52.53 O ATOM 1304 CB ALA A 83 -13.191 15.390 -21.313 1.00 42.34 C ATOM 0 H ALA A 83 -11.710 13.439 -21.101 1.00 13.54 H new ATOM 0 HA ALA A 83 -11.819 15.900 -19.753 1.00 11.55 H new ATOM 0 HB1 ALA A 83 -13.810 16.276 -21.172 1.00 42.34 H new ATOM 0 HB2 ALA A 83 -12.460 15.580 -22.099 1.00 42.34 H new ATOM 0 HB3 ALA A 83 -13.822 14.548 -21.599 1.00 42.34 H new ATOM 1310 N VAL A 84 -14.330 13.868 -19.025 1.00 5.21 N ATOM 1311 CA VAL A 84 -15.339 13.577 -18.012 1.00 53.44 C ATOM 1312 C VAL A 84 -14.697 13.324 -16.654 1.00 71.22 C ATOM 1313 O VAL A 84 -15.231 13.723 -15.618 1.00 44.20 O ATOM 1314 CB VAL A 84 -16.189 12.352 -18.403 1.00 33.24 C ATOM 1315 CG1 VAL A 84 -17.213 12.046 -17.322 1.00 24.42 C ATOM 1316 CG2 VAL A 84 -16.869 12.581 -19.744 1.00 72.03 C ATOM 0 H VAL A 84 -14.349 13.243 -19.831 1.00 5.21 H new ATOM 0 HA VAL A 84 -15.985 14.453 -17.947 1.00 53.44 H new ATOM 0 HB VAL A 84 -15.529 11.490 -18.499 1.00 33.24 H new ATOM 0 HG11 VAL A 84 -17.804 11.178 -17.616 1.00 24.42 H new ATOM 0 HG12 VAL A 84 -16.700 11.835 -16.384 1.00 24.42 H new ATOM 0 HG13 VAL A 84 -17.871 12.905 -17.190 1.00 24.42 H new ATOM 0 HG21 VAL A 84 -17.465 11.706 -20.004 1.00 72.03 H new ATOM 0 HG22 VAL A 84 -17.517 13.455 -19.679 1.00 72.03 H new ATOM 0 HG23 VAL A 84 -16.113 12.746 -20.512 1.00 72.03 H new ATOM 1326 N LEU A 85 -13.547 12.658 -16.663 1.00 61.31 N ATOM 1327 CA LEU A 85 -12.830 12.353 -15.431 1.00 3.34 C ATOM 1328 C LEU A 85 -12.490 13.628 -14.667 1.00 62.34 C ATOM 1329 O LEU A 85 -12.888 13.798 -13.514 1.00 61.21 O ATOM 1330 CB LEU A 85 -11.550 11.575 -15.742 1.00 4.54 C ATOM 1331 CG LEU A 85 -11.464 10.164 -15.158 1.00 52.54 C ATOM 1332 CD1 LEU A 85 -11.344 9.133 -16.270 1.00 11.20 C ATOM 1333 CD2 LEU A 85 -10.288 10.055 -14.199 1.00 35.13 C ATOM 0 H LEU A 85 -13.092 12.319 -17.511 1.00 61.31 H new ATOM 0 HA LEU A 85 -13.479 11.740 -14.806 1.00 3.34 H new ATOM 0 HB2 LEU A 85 -11.445 11.506 -16.825 1.00 4.54 H new ATOM 0 HB3 LEU A 85 -10.700 12.151 -15.375 1.00 4.54 H new ATOM 0 HG LEU A 85 -12.380 9.965 -14.602 1.00 52.54 H new ATOM 0 HD11 LEU A 85 -11.284 8.135 -15.836 1.00 11.20 H new ATOM 0 HD12 LEU A 85 -12.218 9.194 -16.919 1.00 11.20 H new ATOM 0 HD13 LEU A 85 -10.444 9.330 -16.853 1.00 11.20 H new ATOM 0 HD21 LEU A 85 -10.242 9.044 -13.793 1.00 35.13 H new ATOM 0 HD22 LEU A 85 -9.363 10.274 -14.732 1.00 35.13 H new ATOM 0 HD23 LEU A 85 -10.416 10.768 -13.384 1.00 35.13 H new ATOM 1345 N TYR A 86 -11.755 14.523 -15.318 1.00 41.12 N ATOM 1346 CA TYR A 86 -11.362 15.784 -14.700 1.00 71.13 C ATOM 1347 C TYR A 86 -12.575 16.513 -14.131 1.00 20.25 C ATOM 1348 O TYR A 86 -12.530 17.039 -13.017 1.00 3.41 O ATOM 1349 CB TYR A 86 -10.650 16.675 -15.719 1.00 3.11 C ATOM 1350 CG TYR A 86 -10.387 18.078 -15.219 1.00 4.14 C ATOM 1351 CD1 TYR A 86 -11.320 19.090 -15.410 1.00 50.30 C ATOM 1352 CD2 TYR A 86 -9.208 18.391 -14.556 1.00 20.30 C ATOM 1353 CE1 TYR A 86 -11.085 20.374 -14.956 1.00 2.55 C ATOM 1354 CE2 TYR A 86 -8.965 19.671 -14.096 1.00 31.13 C ATOM 1355 CZ TYR A 86 -9.906 20.659 -14.299 1.00 4.43 C ATOM 1356 OH TYR A 86 -9.668 21.935 -13.844 1.00 14.44 O ATOM 0 H TYR A 86 -11.419 14.399 -16.273 1.00 41.12 H new ATOM 0 HA TYR A 86 -10.678 15.560 -13.881 1.00 71.13 H new ATOM 0 HB2 TYR A 86 -9.702 16.213 -15.993 1.00 3.11 H new ATOM 0 HB3 TYR A 86 -11.253 16.729 -16.626 1.00 3.11 H new ATOM 0 HD1 TYR A 86 -12.245 18.869 -15.922 1.00 50.30 H new ATOM 0 HD2 TYR A 86 -8.468 17.621 -14.397 1.00 20.30 H new ATOM 0 HE1 TYR A 86 -11.820 21.149 -15.115 1.00 2.55 H new ATOM 0 HE2 TYR A 86 -8.043 19.897 -13.580 1.00 31.13 H new ATOM 0 HH TYR A 86 -8.794 21.967 -13.403 1.00 14.44 H new ATOM 1366 N CYS A 87 -13.657 16.539 -14.901 1.00 31.43 N ATOM 1367 CA CYS A 87 -14.883 17.204 -14.474 1.00 20.53 C ATOM 1368 C CYS A 87 -15.409 16.594 -13.178 1.00 10.00 C ATOM 1369 O CYS A 87 -15.816 17.310 -12.262 1.00 53.04 O ATOM 1370 CB CYS A 87 -15.948 17.105 -15.567 1.00 2.01 C ATOM 1371 SG CYS A 87 -15.982 18.520 -16.693 1.00 3.43 S ATOM 0 H CYS A 87 -13.710 16.108 -15.824 1.00 31.43 H new ATOM 0 HA CYS A 87 -14.654 18.254 -14.294 1.00 20.53 H new ATOM 0 HB2 CYS A 87 -15.776 16.197 -16.146 1.00 2.01 H new ATOM 0 HB3 CYS A 87 -16.927 17.004 -15.098 1.00 2.01 H new ATOM 0 HG CYS A 87 -15.036 18.395 -17.576 1.00 3.43 H new ATOM 1377 N VAL A 88 -15.400 15.267 -13.108 1.00 11.11 N ATOM 1378 CA VAL A 88 -15.877 14.560 -11.925 1.00 61.24 C ATOM 1379 C VAL A 88 -15.073 14.952 -10.691 1.00 0.04 C ATOM 1380 O VAL A 88 -15.633 15.165 -9.615 1.00 20.32 O ATOM 1381 CB VAL A 88 -15.798 13.033 -12.113 1.00 72.04 C ATOM 1382 CG1 VAL A 88 -16.274 12.315 -10.860 1.00 74.13 C ATOM 1383 CG2 VAL A 88 -16.610 12.603 -13.325 1.00 64.32 C ATOM 0 H VAL A 88 -15.068 14.659 -13.857 1.00 11.11 H new ATOM 0 HA VAL A 88 -16.919 14.847 -11.783 1.00 61.24 H new ATOM 0 HB VAL A 88 -14.757 12.759 -12.286 1.00 72.04 H new ATOM 0 HG11 VAL A 88 -16.211 11.237 -11.012 1.00 74.13 H new ATOM 0 HG12 VAL A 88 -15.645 12.600 -10.016 1.00 74.13 H new ATOM 0 HG13 VAL A 88 -17.307 12.592 -10.652 1.00 74.13 H new ATOM 0 HG21 VAL A 88 -16.543 11.521 -13.443 1.00 64.32 H new ATOM 0 HG22 VAL A 88 -17.652 12.889 -13.185 1.00 64.32 H new ATOM 0 HG23 VAL A 88 -16.217 13.090 -14.218 1.00 64.32 H new ATOM 1393 N HIS A 89 -13.757 15.045 -10.852 1.00 63.05 N ATOM 1394 CA HIS A 89 -12.875 15.412 -9.751 1.00 61.42 C ATOM 1395 C HIS A 89 -13.040 16.887 -9.392 1.00 71.25 C ATOM 1396 O HIS A 89 -12.679 17.238 -8.269 1.00 44.14 O ATOM 1397 CB HIS A 89 -11.418 15.126 -10.117 1.00 52.43 C ATOM 1398 CG HIS A 89 -11.102 13.665 -10.211 1.00 13.33 C ATOM 1399 ND1 HIS A 89 -11.556 12.736 -9.299 1.00 32.11 N ATOM 1400 CD2 HIS A 89 -10.371 12.973 -11.117 1.00 1.24 C ATOM 1401 CE1 HIS A 89 -11.118 11.537 -9.639 1.00 51.32 C ATOM 1402 NE2 HIS A 89 -10.398 11.653 -10.740 1.00 35.21 N ATOM 0 H HIS A 89 -13.278 14.871 -11.735 1.00 63.05 H new ATOM 0 HA HIS A 89 -13.148 14.810 -8.884 1.00 61.42 H new ATOM 0 HB2 HIS A 89 -11.191 15.601 -11.072 1.00 52.43 H new ATOM 0 HB3 HIS A 89 -10.768 15.583 -9.371 1.00 52.43 H new ATOM 0 HD1 HIS A 89 -12.139 12.942 -8.488 1.00 32.11 H new ATOM 0 HD2 HIS A 89 -9.861 13.383 -11.976 1.00 1.24 H new ATOM 0 HE1 HIS A 89 -11.315 10.618 -9.107 1.00 51.32 H new ATOM 1411 N GLN A 90 -13.555 17.727 -10.284 1.00 50.41 N ATOM 1412 CA GLN A 90 -13.730 19.143 -9.986 1.00 25.02 C ATOM 1413 C GLN A 90 -15.150 19.427 -9.508 1.00 63.32 C ATOM 1414 O GLN A 90 -15.655 20.540 -9.657 1.00 31.32 O ATOM 1415 CB GLN A 90 -13.417 19.989 -11.222 1.00 14.24 C ATOM 1416 CG GLN A 90 -11.930 20.205 -11.450 1.00 72.10 C ATOM 1417 CD GLN A 90 -11.572 21.668 -11.622 1.00 51.34 C ATOM 1418 OE1 GLN A 90 -10.615 22.160 -11.025 1.00 11.45 O ATOM 1419 NE2 GLN A 90 -12.341 22.372 -12.444 1.00 71.12 N ATOM 0 H GLN A 90 -13.858 17.452 -11.218 1.00 50.41 H new ATOM 0 HA GLN A 90 -13.037 19.408 -9.188 1.00 25.02 H new ATOM 0 HB2 GLN A 90 -13.844 19.506 -12.101 1.00 14.24 H new ATOM 0 HB3 GLN A 90 -13.905 20.958 -11.122 1.00 14.24 H new ATOM 0 HG2 GLN A 90 -11.374 19.796 -10.607 1.00 72.10 H new ATOM 0 HG3 GLN A 90 -11.618 19.652 -12.336 1.00 72.10 H new ATOM 0 HE21 GLN A 90 -13.125 21.924 -12.919 1.00 71.12 H new ATOM 0 HE22 GLN A 90 -12.148 23.361 -12.601 1.00 71.12 H new ATOM 1428 N ARG A 91 -15.790 18.414 -8.933 1.00 42.43 N ATOM 1429 CA ARG A 91 -17.152 18.555 -8.435 1.00 0.51 C ATOM 1430 C ARG A 91 -18.090 19.030 -9.541 1.00 41.21 C ATOM 1431 O ARG A 91 -19.115 19.657 -9.273 1.00 60.51 O ATOM 1432 CB ARG A 91 -17.190 19.536 -7.263 1.00 4.20 C ATOM 1433 CG ARG A 91 -18.193 19.159 -6.185 1.00 2.44 C ATOM 1434 CD ARG A 91 -19.000 20.364 -5.728 1.00 12.34 C ATOM 1435 NE ARG A 91 -20.077 19.987 -4.816 1.00 3.24 N ATOM 1436 CZ ARG A 91 -19.879 19.630 -3.552 1.00 31.33 C ATOM 1437 NH1 ARG A 91 -18.650 19.602 -3.053 1.00 24.12 N1+ ATOM 1438 NH2 ARG A 91 -20.909 19.302 -2.783 1.00 12.50 N ATOM 0 H ARG A 91 -15.387 17.487 -8.801 1.00 42.43 H new ATOM 0 HA ARG A 91 -17.489 17.577 -8.092 1.00 0.51 H new ATOM 0 HB2 ARG A 91 -16.197 19.596 -6.818 1.00 4.20 H new ATOM 0 HB3 ARG A 91 -17.431 20.530 -7.640 1.00 4.20 H new ATOM 0 HG2 ARG A 91 -18.867 18.392 -6.566 1.00 2.44 H new ATOM 0 HG3 ARG A 91 -17.668 18.727 -5.333 1.00 2.44 H new ATOM 0 HD2 ARG A 91 -18.339 21.077 -5.234 1.00 12.34 H new ATOM 0 HD3 ARG A 91 -19.421 20.869 -6.597 1.00 12.34 H new ATOM 0 HE ARG A 91 -21.034 19.999 -5.169 1.00 3.24 H new ATOM 0 HH11 ARG A 91 -17.855 19.855 -3.640 1.00 24.12 H new ATOM 0 HH12 ARG A 91 -18.500 19.328 -2.082 1.00 24.12 H new ATOM 0 HH21 ARG A 91 -21.856 19.324 -3.162 1.00 12.50 H new ATOM 0 HH22 ARG A 91 -20.754 19.028 -1.813 1.00 12.50 H new ATOM 1452 N ILE A 92 -17.730 18.728 -10.784 1.00 44.24 N ATOM 1453 CA ILE A 92 -18.539 19.124 -11.930 1.00 45.03 C ATOM 1454 C ILE A 92 -19.452 17.988 -12.380 1.00 20.45 C ATOM 1455 O ILE A 92 -18.984 16.901 -12.719 1.00 31.04 O ATOM 1456 CB ILE A 92 -17.660 19.560 -13.117 1.00 32.40 C ATOM 1457 CG1 ILE A 92 -16.597 20.558 -12.652 1.00 74.35 C ATOM 1458 CG2 ILE A 92 -18.517 20.166 -14.218 1.00 43.02 C ATOM 1459 CD1 ILE A 92 -15.678 21.023 -13.761 1.00 12.41 C ATOM 0 H ILE A 92 -16.884 18.211 -11.023 1.00 44.24 H new ATOM 0 HA ILE A 92 -19.147 19.969 -11.608 1.00 45.03 H new ATOM 0 HB ILE A 92 -17.156 18.681 -13.519 1.00 32.40 H new ATOM 0 HG12 ILE A 92 -17.091 21.425 -12.213 1.00 74.35 H new ATOM 0 HG13 ILE A 92 -15.999 20.099 -11.864 1.00 74.35 H new ATOM 0 HG21 ILE A 92 -17.881 20.469 -15.049 1.00 43.02 H new ATOM 0 HG22 ILE A 92 -19.240 19.427 -14.565 1.00 43.02 H new ATOM 0 HG23 ILE A 92 -19.046 21.037 -13.830 1.00 43.02 H new ATOM 0 HD11 ILE A 92 -14.950 21.728 -13.359 1.00 12.41 H new ATOM 0 HD12 ILE A 92 -15.156 20.165 -14.185 1.00 12.41 H new ATOM 0 HD13 ILE A 92 -16.265 21.511 -14.539 1.00 12.41 H new ATOM 1471 N ASP A 93 -20.754 18.246 -12.379 1.00 62.13 N ATOM 1472 CA ASP A 93 -21.733 17.246 -12.789 1.00 50.45 C ATOM 1473 C ASP A 93 -22.158 17.464 -14.238 1.00 52.43 C ATOM 1474 O ASP A 93 -23.086 18.224 -14.516 1.00 63.20 O ATOM 1475 CB ASP A 93 -22.957 17.294 -11.872 1.00 52.51 C ATOM 1476 CG ASP A 93 -23.741 15.997 -11.889 1.00 5.42 C ATOM 1477 OD1 ASP A 93 -23.833 15.371 -12.966 1.00 21.05 O ATOM 1478 OD2 ASP A 93 -24.266 15.607 -10.824 1.00 75.30 O1- ATOM 0 H ASP A 93 -21.157 19.140 -12.099 1.00 62.13 H new ATOM 0 HA ASP A 93 -21.268 16.263 -12.710 1.00 50.45 H new ATOM 0 HB2 ASP A 93 -22.636 17.508 -10.853 1.00 52.51 H new ATOM 0 HB3 ASP A 93 -23.607 18.113 -12.180 1.00 52.51 H new ATOM 1483 N VAL A 94 -21.473 16.792 -15.158 1.00 73.11 N ATOM 1484 CA VAL A 94 -21.780 16.912 -16.578 1.00 34.01 C ATOM 1485 C VAL A 94 -22.671 15.768 -17.047 1.00 3.54 C ATOM 1486 O VAL A 94 -22.445 14.607 -16.701 1.00 60.35 O ATOM 1487 CB VAL A 94 -20.497 16.930 -17.430 1.00 74.51 C ATOM 1488 CG1 VAL A 94 -19.592 18.077 -17.008 1.00 33.31 C ATOM 1489 CG2 VAL A 94 -19.768 15.599 -17.324 1.00 21.11 C ATOM 0 H VAL A 94 -20.702 16.159 -14.945 1.00 73.11 H new ATOM 0 HA VAL A 94 -22.308 17.857 -16.708 1.00 34.01 H new ATOM 0 HB VAL A 94 -20.776 17.083 -18.472 1.00 74.51 H new ATOM 0 HG11 VAL A 94 -18.691 18.074 -17.621 1.00 33.31 H new ATOM 0 HG12 VAL A 94 -20.117 19.023 -17.140 1.00 33.31 H new ATOM 0 HG13 VAL A 94 -19.318 17.958 -15.960 1.00 33.31 H new ATOM 0 HG21 VAL A 94 -18.864 15.630 -17.932 1.00 21.11 H new ATOM 0 HG22 VAL A 94 -19.499 15.413 -16.284 1.00 21.11 H new ATOM 0 HG23 VAL A 94 -20.417 14.799 -17.680 1.00 21.11 H new ATOM 1499 N LYS A 95 -23.687 16.101 -17.836 1.00 34.54 N ATOM 1500 CA LYS A 95 -24.614 15.102 -18.354 1.00 53.02 C ATOM 1501 C LYS A 95 -23.947 14.247 -19.428 1.00 10.31 C ATOM 1502 O LYS A 95 -24.326 13.096 -19.642 1.00 44.41 O ATOM 1503 CB LYS A 95 -25.859 15.781 -18.929 1.00 14.02 C ATOM 1504 CG LYS A 95 -25.546 16.862 -19.947 1.00 44.44 C ATOM 1505 CD LYS A 95 -26.666 17.009 -20.965 1.00 52.32 C ATOM 1506 CE LYS A 95 -26.562 18.325 -21.722 1.00 3.33 C ATOM 1507 NZ LYS A 95 -27.895 18.812 -22.171 1.00 43.43 N1+ ATOM 0 H LYS A 95 -23.889 17.056 -18.131 1.00 34.54 H new ATOM 0 HA LYS A 95 -24.909 14.454 -17.529 1.00 53.02 H new ATOM 0 HB2 LYS A 95 -26.491 15.026 -19.396 1.00 14.02 H new ATOM 0 HB3 LYS A 95 -26.434 16.218 -18.113 1.00 14.02 H new ATOM 0 HG2 LYS A 95 -25.391 17.812 -19.435 1.00 44.44 H new ATOM 0 HG3 LYS A 95 -24.615 16.621 -20.461 1.00 44.44 H new ATOM 0 HD2 LYS A 95 -26.630 16.179 -21.670 1.00 52.32 H new ATOM 0 HD3 LYS A 95 -27.629 16.955 -20.458 1.00 52.32 H new ATOM 0 HE2 LYS A 95 -26.097 19.076 -21.083 1.00 3.33 H new ATOM 0 HE3 LYS A 95 -25.912 18.196 -22.587 1.00 3.33 H new ATOM 0 HZ1 LYS A 95 -27.782 19.710 -22.683 1.00 43.43 H new ATOM 0 HZ2 LYS A 95 -28.328 18.107 -22.801 1.00 43.43 H new ATOM 0 HZ3 LYS A 95 -28.507 18.959 -21.344 1.00 43.43 H new ATOM 1521 N ASP A 96 -22.952 14.817 -20.098 1.00 73.30 N ATOM 1522 CA ASP A 96 -22.231 14.107 -21.148 1.00 12.32 C ATOM 1523 C ASP A 96 -20.774 14.557 -21.207 1.00 13.25 C ATOM 1524 O ASP A 96 -20.331 15.371 -20.397 1.00 53.32 O ATOM 1525 CB ASP A 96 -22.903 14.334 -22.502 1.00 44.33 C ATOM 1526 CG ASP A 96 -23.298 15.782 -22.716 1.00 55.10 C ATOM 1527 OD1 ASP A 96 -22.392 16.627 -22.877 1.00 30.33 O ATOM 1528 OD2 ASP A 96 -24.512 16.070 -22.726 1.00 22.51 O1- ATOM 0 H ASP A 96 -22.626 15.769 -19.933 1.00 73.30 H new ATOM 0 HA ASP A 96 -22.255 13.043 -20.914 1.00 12.32 H new ATOM 0 HB2 ASP A 96 -22.225 14.024 -23.297 1.00 44.33 H new ATOM 0 HB3 ASP A 96 -23.789 13.704 -22.575 1.00 44.33 H new ATOM 1533 N THR A 97 -20.032 14.019 -22.171 1.00 23.33 N ATOM 1534 CA THR A 97 -18.626 14.363 -22.334 1.00 43.10 C ATOM 1535 C THR A 97 -18.466 15.691 -23.066 1.00 41.01 C ATOM 1536 O THR A 97 -17.505 16.425 -22.838 1.00 71.42 O ATOM 1537 CB THR A 97 -17.867 13.269 -23.108 1.00 15.51 C ATOM 1538 OG1 THR A 97 -17.942 12.026 -22.401 1.00 34.41 O ATOM 1539 CG2 THR A 97 -16.410 13.659 -23.306 1.00 53.31 C ATOM 0 H THR A 97 -20.382 13.343 -22.850 1.00 23.33 H new ATOM 0 HA THR A 97 -18.204 14.450 -21.333 1.00 43.10 H new ATOM 0 HB THR A 97 -18.333 13.157 -24.087 1.00 15.51 H new ATOM 0 HG1 THR A 97 -18.460 11.381 -22.927 1.00 34.41 H new ATOM 0 HG21 THR A 97 -15.894 12.871 -23.855 1.00 53.31 H new ATOM 0 HG22 THR A 97 -16.356 14.590 -23.870 1.00 53.31 H new ATOM 0 HG23 THR A 97 -15.935 13.796 -22.335 1.00 53.31 H new ATOM 1547 N LYS A 98 -19.414 15.993 -23.946 1.00 63.44 N ATOM 1548 CA LYS A 98 -19.381 17.235 -24.711 1.00 23.14 C ATOM 1549 C LYS A 98 -19.359 18.445 -23.783 1.00 31.35 C ATOM 1550 O LYS A 98 -18.523 19.336 -23.930 1.00 54.34 O ATOM 1551 CB LYS A 98 -20.592 17.316 -25.643 1.00 61.54 C ATOM 1552 CG LYS A 98 -20.635 18.588 -26.473 1.00 42.32 C ATOM 1553 CD LYS A 98 -20.270 18.319 -27.923 1.00 42.12 C ATOM 1554 CE LYS A 98 -19.484 19.475 -28.523 1.00 74.03 C ATOM 1555 NZ LYS A 98 -20.372 20.597 -28.934 1.00 25.41 N1+ ATOM 0 H LYS A 98 -20.215 15.395 -24.148 1.00 63.44 H new ATOM 0 HA LYS A 98 -18.469 17.241 -25.308 1.00 23.14 H new ATOM 0 HB2 LYS A 98 -20.584 16.455 -26.312 1.00 61.54 H new ATOM 0 HB3 LYS A 98 -21.503 17.249 -25.048 1.00 61.54 H new ATOM 0 HG2 LYS A 98 -21.633 19.023 -26.423 1.00 42.32 H new ATOM 0 HG3 LYS A 98 -19.946 19.321 -26.053 1.00 42.32 H new ATOM 0 HD2 LYS A 98 -19.680 17.404 -27.987 1.00 42.12 H new ATOM 0 HD3 LYS A 98 -21.178 18.155 -28.503 1.00 42.12 H new ATOM 0 HE2 LYS A 98 -18.757 19.836 -27.796 1.00 74.03 H new ATOM 0 HE3 LYS A 98 -18.922 19.122 -29.387 1.00 74.03 H new ATOM 0 HZ1 LYS A 98 -19.798 21.364 -29.338 1.00 25.41 H new ATOM 0 HZ2 LYS A 98 -21.050 20.260 -29.647 1.00 25.41 H new ATOM 0 HZ3 LYS A 98 -20.890 20.952 -28.105 1.00 25.41 H new ATOM 1569 N GLU A 99 -20.281 18.469 -22.825 1.00 62.24 N ATOM 1570 CA GLU A 99 -20.365 19.571 -21.874 1.00 12.42 C ATOM 1571 C GLU A 99 -19.077 19.690 -21.064 1.00 13.40 C ATOM 1572 O GLU A 99 -18.644 20.792 -20.726 1.00 12.42 O ATOM 1573 CB GLU A 99 -21.555 19.370 -20.932 1.00 51.34 C ATOM 1574 CG GLU A 99 -22.484 20.570 -20.862 1.00 64.40 C ATOM 1575 CD GLU A 99 -22.551 21.175 -19.473 1.00 71.13 C ATOM 1576 OE1 GLU A 99 -21.480 21.430 -18.884 1.00 34.24 O1- ATOM 1577 OE2 GLU A 99 -23.676 21.395 -18.976 1.00 61.52 O ATOM 0 H GLU A 99 -20.979 17.738 -22.687 1.00 62.24 H new ATOM 0 HA GLU A 99 -20.507 20.494 -22.437 1.00 12.42 H new ATOM 0 HB2 GLU A 99 -22.124 18.499 -21.259 1.00 51.34 H new ATOM 0 HB3 GLU A 99 -21.183 19.150 -19.931 1.00 51.34 H new ATOM 0 HG2 GLU A 99 -22.146 21.328 -21.569 1.00 64.40 H new ATOM 0 HG3 GLU A 99 -23.485 20.269 -21.172 1.00 64.40 H new ATOM 1584 N ALA A 100 -18.470 18.548 -20.758 1.00 30.32 N ATOM 1585 CA ALA A 100 -17.231 18.524 -19.991 1.00 22.23 C ATOM 1586 C ALA A 100 -16.107 19.232 -20.739 1.00 53.41 C ATOM 1587 O ALA A 100 -15.314 19.962 -20.144 1.00 74.20 O ATOM 1588 CB ALA A 100 -16.835 17.090 -19.673 1.00 20.15 C ATOM 0 H ALA A 100 -18.816 17.628 -21.030 1.00 30.32 H new ATOM 0 HA ALA A 100 -17.402 19.058 -19.056 1.00 22.23 H new ATOM 0 HB1 ALA A 100 -15.908 17.087 -19.100 1.00 20.15 H new ATOM 0 HB2 ALA A 100 -17.624 16.616 -19.089 1.00 20.15 H new ATOM 0 HB3 ALA A 100 -16.689 16.538 -20.602 1.00 20.15 H new ATOM 1594 N LEU A 101 -16.043 19.010 -22.048 1.00 43.20 N ATOM 1595 CA LEU A 101 -15.015 19.626 -22.879 1.00 60.30 C ATOM 1596 C LEU A 101 -15.212 21.137 -22.958 1.00 25.31 C ATOM 1597 O LEU A 101 -14.252 21.903 -22.866 1.00 44.52 O ATOM 1598 CB LEU A 101 -15.039 19.024 -24.285 1.00 42.22 C ATOM 1599 CG LEU A 101 -14.949 17.500 -24.363 1.00 11.41 C ATOM 1600 CD1 LEU A 101 -15.741 16.977 -25.551 1.00 61.14 C ATOM 1601 CD2 LEU A 101 -13.496 17.055 -24.452 1.00 34.31 C ATOM 0 H LEU A 101 -16.691 18.408 -22.556 1.00 43.20 H new ATOM 0 HA LEU A 101 -14.046 19.427 -22.421 1.00 60.30 H new ATOM 0 HB2 LEU A 101 -15.958 19.340 -24.778 1.00 42.22 H new ATOM 0 HB3 LEU A 101 -14.211 19.447 -24.854 1.00 42.22 H new ATOM 0 HG LEU A 101 -15.381 17.084 -23.453 1.00 11.41 H new ATOM 0 HD11 LEU A 101 -15.665 15.890 -25.589 1.00 61.14 H new ATOM 0 HD12 LEU A 101 -16.787 17.264 -25.445 1.00 61.14 H new ATOM 0 HD13 LEU A 101 -15.340 17.402 -26.471 1.00 61.14 H new ATOM 0 HD21 LEU A 101 -13.451 15.967 -24.507 1.00 34.31 H new ATOM 0 HD22 LEU A 101 -13.039 17.482 -25.344 1.00 34.31 H new ATOM 0 HD23 LEU A 101 -12.956 17.396 -23.569 1.00 34.31 H new ATOM 1613 N ASP A 102 -16.461 21.557 -23.126 1.00 73.52 N ATOM 1614 CA ASP A 102 -16.784 22.977 -23.214 1.00 65.31 C ATOM 1615 C ASP A 102 -16.434 23.695 -21.915 1.00 23.25 C ATOM 1616 O ASP A 102 -16.071 24.871 -21.921 1.00 62.53 O ATOM 1617 CB ASP A 102 -18.268 23.165 -23.532 1.00 30.24 C ATOM 1618 CG ASP A 102 -18.590 24.577 -23.979 1.00 52.34 C ATOM 1619 OD1 ASP A 102 -18.702 25.465 -23.108 1.00 22.14 O1- ATOM 1620 OD2 ASP A 102 -18.730 24.796 -25.201 1.00 1.14 O ATOM 0 H ASP A 102 -17.266 20.935 -23.204 1.00 73.52 H new ATOM 0 HA ASP A 102 -16.190 23.411 -24.019 1.00 65.31 H new ATOM 0 HB2 ASP A 102 -18.561 22.464 -24.314 1.00 30.24 H new ATOM 0 HB3 ASP A 102 -18.859 22.923 -22.649 1.00 30.24 H new ATOM 1625 N LYS A 103 -16.547 22.980 -20.800 1.00 61.41 N ATOM 1626 CA LYS A 103 -16.242 23.547 -19.492 1.00 63.12 C ATOM 1627 C LYS A 103 -14.745 23.792 -19.340 1.00 33.33 C ATOM 1628 O LYS A 103 -14.325 24.824 -18.817 1.00 21.55 O ATOM 1629 CB LYS A 103 -16.733 22.615 -18.383 1.00 23.34 C ATOM 1630 CG LYS A 103 -18.237 22.661 -18.170 1.00 13.32 C ATOM 1631 CD LYS A 103 -18.605 23.515 -16.970 1.00 21.32 C ATOM 1632 CE LYS A 103 -20.004 24.096 -17.107 1.00 21.33 C ATOM 1633 NZ LYS A 103 -20.637 24.339 -15.780 1.00 42.55 N1+ ATOM 0 H LYS A 103 -16.848 22.006 -20.777 1.00 61.41 H new ATOM 0 HA LYS A 103 -16.758 24.504 -19.409 1.00 63.12 H new ATOM 0 HB2 LYS A 103 -16.440 21.593 -18.623 1.00 23.34 H new ATOM 0 HB3 LYS A 103 -16.234 22.879 -17.451 1.00 23.34 H new ATOM 0 HG2 LYS A 103 -18.720 23.059 -19.063 1.00 13.32 H new ATOM 0 HG3 LYS A 103 -18.616 21.649 -18.027 1.00 13.32 H new ATOM 0 HD2 LYS A 103 -18.547 22.914 -16.063 1.00 21.32 H new ATOM 0 HD3 LYS A 103 -17.883 24.324 -16.863 1.00 21.32 H new ATOM 0 HE2 LYS A 103 -19.955 25.032 -17.663 1.00 21.33 H new ATOM 0 HE3 LYS A 103 -20.626 23.413 -17.686 1.00 21.33 H new ATOM 0 HZ1 LYS A 103 -21.589 24.735 -15.917 1.00 42.55 H new ATOM 0 HZ2 LYS A 103 -20.707 23.442 -15.259 1.00 42.55 H new ATOM 0 HZ3 LYS A 103 -20.058 25.010 -15.237 1.00 42.55 H new ATOM 1647 N ILE A 104 -13.944 22.837 -19.802 1.00 31.24 N ATOM 1648 CA ILE A 104 -12.493 22.950 -19.718 1.00 41.03 C ATOM 1649 C ILE A 104 -11.959 23.938 -20.751 1.00 30.42 C ATOM 1650 O ILE A 104 -10.932 24.580 -20.535 1.00 62.41 O ATOM 1651 CB ILE A 104 -11.809 21.587 -19.927 1.00 40.52 C ATOM 1652 CG1 ILE A 104 -12.345 20.564 -18.924 1.00 33.44 C ATOM 1653 CG2 ILE A 104 -10.300 21.726 -19.796 1.00 52.34 C ATOM 1654 CD1 ILE A 104 -11.935 19.140 -19.234 1.00 44.13 C ATOM 0 H ILE A 104 -14.276 21.977 -20.238 1.00 31.24 H new ATOM 0 HA ILE A 104 -12.262 23.313 -18.717 1.00 41.03 H new ATOM 0 HB ILE A 104 -12.035 21.234 -20.933 1.00 40.52 H new ATOM 0 HG12 ILE A 104 -11.992 20.826 -17.927 1.00 33.44 H new ATOM 0 HG13 ILE A 104 -13.433 20.624 -18.903 1.00 33.44 H new ATOM 0 HG21 ILE A 104 -9.831 20.754 -19.946 1.00 52.34 H new ATOM 0 HG22 ILE A 104 -9.933 22.426 -20.546 1.00 52.34 H new ATOM 0 HG23 ILE A 104 -10.054 22.098 -18.801 1.00 52.34 H new ATOM 0 HD11 ILE A 104 -12.351 18.470 -18.482 1.00 44.13 H new ATOM 0 HD12 ILE A 104 -12.311 18.859 -20.218 1.00 44.13 H new ATOM 0 HD13 ILE A 104 -10.848 19.065 -19.226 1.00 44.13 H new ATOM 1666 N GLU A 105 -12.665 24.054 -21.871 1.00 24.11 N ATOM 1667 CA GLU A 105 -12.262 24.965 -22.936 1.00 12.12 C ATOM 1668 C GLU A 105 -12.581 26.411 -22.565 1.00 72.23 C ATOM 1669 O GLU A 105 -11.826 27.326 -22.892 1.00 63.34 O ATOM 1670 CB GLU A 105 -12.962 24.597 -24.245 1.00 2.44 C ATOM 1671 CG GLU A 105 -12.731 25.600 -25.363 1.00 1.42 C ATOM 1672 CD GLU A 105 -13.512 25.264 -26.619 1.00 32.45 C ATOM 1673 OE1 GLU A 105 -13.027 24.433 -27.414 1.00 14.21 O ATOM 1674 OE2 GLU A 105 -14.607 25.834 -26.806 1.00 11.41 O1- ATOM 0 H GLU A 105 -13.518 23.529 -22.064 1.00 24.11 H new ATOM 0 HA GLU A 105 -11.184 24.871 -23.070 1.00 12.12 H new ATOM 0 HB2 GLU A 105 -12.613 23.617 -24.570 1.00 2.44 H new ATOM 0 HB3 GLU A 105 -14.033 24.510 -24.062 1.00 2.44 H new ATOM 0 HG2 GLU A 105 -13.015 26.594 -25.018 1.00 1.42 H new ATOM 0 HG3 GLU A 105 -11.668 25.636 -25.600 1.00 1.42 H new