USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 822 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 TYR OH : rot 166:sc= 1.21 USER MOD Set 1.2: A 97 THR OG1 : rot 46:sc= 0.409 USER MOD Single : A 9 SER OG : rot 180:sc= -0.171 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 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -2.94! C(o=-2.9!,f=-9!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.68 USER MOD Single : A 47 ASN : amide:sc= -0.0775 K(o=-0.078,f=-1.8!) USER MOD Single : A 53 THR OG1 : rot -39:sc= 1.95 USER MOD Single : A 54 SER OG : rot 81:sc= 0.11 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.373 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 70:sc= 1.31 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) 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 USER MOD Single : A 80 ASN : amide:sc= -5.07! C(o=-5.1!,f=-5.8!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -150:sc= -0.812 USER MOD Single : A 89 HIS : +bothHN:sc= 0.685 K(o=0.68,f=-4!) USER MOD Single : A 90 GLN : amide:sc= -0.487 K(o=-0.49,f=-2.3) USER MOD Single : A 95 LYS NZ :NH3+ -155:sc= -0.027 (180deg=-0.274) USER MOD Single : A 98 LYS NZ :NH3+ -165:sc=-0.00361 (180deg=-0.0753) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 -9.516 5.783 -8.281 1.00 51.01 N ATOM 64 CA VAL A 7 -9.687 6.959 -9.127 1.00 64.34 C ATOM 65 C VAL A 7 -10.905 7.770 -8.701 1.00 62.12 C ATOM 66 O VAL A 7 -10.775 8.885 -8.192 1.00 73.23 O ATOM 67 CB VAL A 7 -9.837 6.566 -10.609 1.00 14.14 C ATOM 68 CG1 VAL A 7 -9.972 7.807 -11.479 1.00 60.12 C ATOM 69 CG2 VAL A 7 -8.658 5.717 -11.057 1.00 42.33 C ATOM 0 HA VAL A 7 -8.791 7.568 -9.009 1.00 64.34 H new ATOM 0 HB VAL A 7 -10.745 5.973 -10.720 1.00 14.14 H new ATOM 0 HG11 VAL A 7 -10.077 7.510 -12.523 1.00 60.12 H new ATOM 0 HG12 VAL A 7 -10.852 8.372 -11.172 1.00 60.12 H new ATOM 0 HG13 VAL A 7 -9.084 8.429 -11.366 1.00 60.12 H new ATOM 0 HG21 VAL A 7 -8.781 5.449 -12.106 1.00 42.33 H new ATOM 0 HG22 VAL A 7 -7.734 6.282 -10.933 1.00 42.33 H new ATOM 0 HG23 VAL A 7 -8.612 4.810 -10.454 1.00 42.33 H new ATOM 79 N LEU A 8 -12.089 7.205 -8.911 1.00 44.23 N ATOM 80 CA LEU A 8 -13.333 7.876 -8.548 1.00 40.54 C ATOM 81 C LEU A 8 -13.893 7.316 -7.246 1.00 5.25 C ATOM 82 O LEU A 8 -14.179 6.122 -7.143 1.00 14.32 O ATOM 83 CB LEU A 8 -14.363 7.722 -9.669 1.00 31.35 C ATOM 84 CG LEU A 8 -13.966 8.294 -11.030 1.00 45.02 C ATOM 85 CD1 LEU A 8 -15.062 8.044 -12.053 1.00 51.55 C ATOM 86 CD2 LEU A 8 -13.668 9.782 -10.917 1.00 24.42 C ATOM 0 H LEU A 8 -12.214 6.284 -9.331 1.00 44.23 H new ATOM 0 HA LEU A 8 -13.118 8.935 -8.403 1.00 40.54 H new ATOM 0 HB2 LEU A 8 -14.579 6.661 -9.793 1.00 31.35 H new ATOM 0 HB3 LEU A 8 -15.289 8.201 -9.352 1.00 31.35 H new ATOM 0 HG LEU A 8 -13.061 7.788 -11.366 1.00 45.02 H new ATOM 0 HD11 LEU A 8 -14.762 8.458 -13.016 1.00 51.55 H new ATOM 0 HD12 LEU A 8 -15.227 6.971 -12.155 1.00 51.55 H new ATOM 0 HD13 LEU A 8 -15.984 8.523 -11.723 1.00 51.55 H new ATOM 0 HD21 LEU A 8 -13.387 10.172 -11.895 1.00 24.42 H new ATOM 0 HD22 LEU A 8 -14.555 10.305 -10.559 1.00 24.42 H new ATOM 0 HD23 LEU A 8 -12.848 9.937 -10.216 1.00 24.42 H new ATOM 98 N SER A 9 -14.049 8.186 -6.252 1.00 60.22 N ATOM 99 CA SER A 9 -14.574 7.778 -4.955 1.00 2.31 C ATOM 100 C SER A 9 -16.045 7.387 -5.063 1.00 4.25 C ATOM 101 O SER A 9 -16.600 7.310 -6.157 1.00 72.13 O ATOM 102 CB SER A 9 -14.408 8.907 -3.936 1.00 61.33 C ATOM 103 OG SER A 9 -15.464 9.846 -4.038 1.00 40.10 O ATOM 0 H SER A 9 -13.819 9.177 -6.321 1.00 60.22 H new ATOM 0 HA SER A 9 -14.009 6.909 -4.619 1.00 2.31 H new ATOM 0 HB2 SER A 9 -14.383 8.491 -2.929 1.00 61.33 H new ATOM 0 HB3 SER A 9 -13.454 9.409 -4.097 1.00 61.33 H new ATOM 0 HG SER A 9 -15.335 10.556 -3.375 1.00 40.10 H new ATOM 109 N GLY A 10 -16.671 7.141 -3.915 1.00 43.14 N ATOM 110 CA GLY A 10 -18.071 6.761 -3.902 1.00 20.24 C ATOM 111 C GLY A 10 -18.954 7.774 -4.604 1.00 32.14 C ATOM 112 O GLY A 10 -19.759 7.416 -5.463 1.00 52.20 O ATOM 0 H GLY A 10 -16.233 7.198 -2.995 1.00 43.14 H new ATOM 0 HA2 GLY A 10 -18.185 5.789 -4.383 1.00 20.24 H new ATOM 0 HA3 GLY A 10 -18.404 6.647 -2.870 1.00 20.24 H new ATOM 116 N GLY A 11 -18.805 9.043 -4.236 1.00 23.30 N ATOM 117 CA GLY A 11 -19.603 10.091 -4.845 1.00 22.41 C ATOM 118 C GLY A 11 -19.293 10.273 -6.317 1.00 14.01 C ATOM 119 O GLY A 11 -20.202 10.405 -7.137 1.00 23.12 O ATOM 0 H GLY A 11 -18.146 9.364 -3.527 1.00 23.30 H new ATOM 0 HA2 GLY A 11 -20.660 9.854 -4.726 1.00 22.41 H new ATOM 0 HA3 GLY A 11 -19.426 11.030 -4.321 1.00 22.41 H new ATOM 123 N GLU A 12 -18.008 10.283 -6.653 1.00 44.34 N ATOM 124 CA GLU A 12 -17.581 10.453 -8.038 1.00 32.32 C ATOM 125 C GLU A 12 -18.057 9.288 -8.900 1.00 51.43 C ATOM 126 O GLU A 12 -18.349 9.456 -10.085 1.00 35.33 O ATOM 127 CB GLU A 12 -16.058 10.571 -8.114 1.00 50.35 C ATOM 128 CG GLU A 12 -15.469 11.537 -7.101 1.00 32.10 C ATOM 129 CD GLU A 12 -13.995 11.800 -7.333 1.00 3.33 C ATOM 130 OE1 GLU A 12 -13.175 10.918 -7.000 1.00 31.52 O ATOM 131 OE2 GLU A 12 -13.658 12.888 -7.846 1.00 21.45 O1- ATOM 0 H GLU A 12 -17.244 10.175 -5.986 1.00 44.34 H new ATOM 0 HA GLU A 12 -18.028 11.371 -8.420 1.00 32.32 H new ATOM 0 HB2 GLU A 12 -15.618 9.585 -7.961 1.00 50.35 H new ATOM 0 HB3 GLU A 12 -15.777 10.894 -9.117 1.00 50.35 H new ATOM 0 HG2 GLU A 12 -16.014 12.480 -7.145 1.00 32.10 H new ATOM 0 HG3 GLU A 12 -15.609 11.135 -6.098 1.00 32.10 H new ATOM 138 N LEU A 13 -18.131 8.106 -8.299 1.00 3.33 N ATOM 139 CA LEU A 13 -18.570 6.911 -9.011 1.00 51.43 C ATOM 140 C LEU A 13 -20.021 7.048 -9.462 1.00 75.21 C ATOM 141 O LEU A 13 -20.347 6.804 -10.624 1.00 61.43 O ATOM 142 CB LEU A 13 -18.415 5.676 -8.121 1.00 54.33 C ATOM 143 CG LEU A 13 -18.454 4.325 -8.836 1.00 34.33 C ATOM 144 CD1 LEU A 13 -17.371 4.251 -9.901 1.00 10.15 C ATOM 145 CD2 LEU A 13 -18.301 3.188 -7.836 1.00 4.32 C ATOM 0 H LEU A 13 -17.893 7.949 -7.320 1.00 3.33 H new ATOM 0 HA LEU A 13 -17.943 6.795 -9.895 1.00 51.43 H new ATOM 0 HB2 LEU A 13 -17.468 5.754 -7.586 1.00 54.33 H new ATOM 0 HB3 LEU A 13 -19.206 5.691 -7.372 1.00 54.33 H new ATOM 0 HG LEU A 13 -19.422 4.224 -9.326 1.00 34.33 H new ATOM 0 HD11 LEU A 13 -17.415 3.282 -10.398 1.00 10.15 H new ATOM 0 HD12 LEU A 13 -17.527 5.043 -10.634 1.00 10.15 H new ATOM 0 HD13 LEU A 13 -16.393 4.375 -9.435 1.00 10.15 H new ATOM 0 HD21 LEU A 13 -18.331 2.234 -8.362 1.00 4.32 H new ATOM 0 HD22 LEU A 13 -17.348 3.286 -7.317 1.00 4.32 H new ATOM 0 HD23 LEU A 13 -19.115 3.229 -7.112 1.00 4.32 H new ATOM 157 N ASP A 14 -20.888 7.442 -8.536 1.00 25.52 N ATOM 158 CA ASP A 14 -22.304 7.615 -8.837 1.00 12.03 C ATOM 159 C ASP A 14 -22.494 8.514 -10.055 1.00 70.23 C ATOM 160 O ASP A 14 -23.202 8.158 -10.998 1.00 11.22 O ATOM 161 CB ASP A 14 -23.036 8.208 -7.632 1.00 63.10 C ATOM 162 CG ASP A 14 -23.607 7.140 -6.719 1.00 4.31 C ATOM 163 OD1 ASP A 14 -22.920 6.122 -6.497 1.00 24.52 O1- ATOM 164 OD2 ASP A 14 -24.740 7.324 -6.227 1.00 2.05 O ATOM 0 H ASP A 14 -20.635 7.648 -7.570 1.00 25.52 H new ATOM 0 HA ASP A 14 -22.725 6.635 -9.061 1.00 12.03 H new ATOM 0 HB2 ASP A 14 -22.348 8.836 -7.066 1.00 63.10 H new ATOM 0 HB3 ASP A 14 -23.843 8.853 -7.981 1.00 63.10 H new ATOM 169 N LYS A 15 -21.858 9.679 -10.029 1.00 11.14 N ATOM 170 CA LYS A 15 -21.956 10.630 -11.131 1.00 4.11 C ATOM 171 C LYS A 15 -21.315 10.066 -12.395 1.00 61.42 C ATOM 172 O LYS A 15 -21.842 10.230 -13.495 1.00 31.31 O ATOM 173 CB LYS A 15 -21.283 11.952 -10.752 1.00 21.02 C ATOM 174 CG LYS A 15 -22.265 13.072 -10.456 1.00 73.35 C ATOM 175 CD LYS A 15 -22.656 13.098 -8.989 1.00 11.53 C ATOM 176 CE LYS A 15 -23.917 13.918 -8.762 1.00 43.10 C ATOM 177 NZ LYS A 15 -24.326 13.922 -7.330 1.00 70.32 N1+ ATOM 0 H LYS A 15 -21.268 9.989 -9.256 1.00 11.14 H new ATOM 0 HA LYS A 15 -23.012 10.810 -11.330 1.00 4.11 H new ATOM 0 HB2 LYS A 15 -20.653 11.792 -9.877 1.00 21.02 H new ATOM 0 HB3 LYS A 15 -20.626 12.262 -11.565 1.00 21.02 H new ATOM 0 HG2 LYS A 15 -21.821 14.028 -10.732 1.00 73.35 H new ATOM 0 HG3 LYS A 15 -23.157 12.946 -11.069 1.00 73.35 H new ATOM 0 HD2 LYS A 15 -22.815 12.079 -8.636 1.00 11.53 H new ATOM 0 HD3 LYS A 15 -21.839 13.515 -8.401 1.00 11.53 H new ATOM 0 HE2 LYS A 15 -23.749 14.942 -9.094 1.00 43.10 H new ATOM 0 HE3 LYS A 15 -24.727 13.515 -9.370 1.00 43.10 H new ATOM 0 HZ1 LYS A 15 -25.189 14.491 -7.217 1.00 70.32 H new ATOM 0 HZ2 LYS A 15 -24.511 12.947 -7.019 1.00 70.32 H new ATOM 0 HZ3 LYS A 15 -23.564 14.330 -6.752 1.00 70.32 H new ATOM 191 N TRP A 16 -20.179 9.399 -12.229 1.00 45.53 N ATOM 192 CA TRP A 16 -19.468 8.809 -13.359 1.00 13.24 C ATOM 193 C TRP A 16 -20.379 7.875 -14.147 1.00 42.11 C ATOM 194 O TRP A 16 -20.540 8.027 -15.357 1.00 62.30 O ATOM 195 CB TRP A 16 -18.235 8.047 -12.870 1.00 31.24 C ATOM 196 CG TRP A 16 -17.527 7.302 -13.959 1.00 63.04 C ATOM 197 CD1 TRP A 16 -17.633 5.970 -14.245 1.00 4.53 C ATOM 198 CD2 TRP A 16 -16.602 7.845 -14.908 1.00 22.20 C ATOM 199 NE1 TRP A 16 -16.829 5.653 -15.313 1.00 51.11 N ATOM 200 CE2 TRP A 16 -16.187 6.786 -15.740 1.00 25.44 C ATOM 201 CE3 TRP A 16 -16.086 9.123 -15.138 1.00 54.12 C ATOM 202 CZ2 TRP A 16 -15.281 6.967 -16.780 1.00 53.32 C ATOM 203 CZ3 TRP A 16 -15.186 9.302 -16.172 1.00 72.20 C ATOM 204 CH2 TRP A 16 -14.792 8.229 -16.983 1.00 2.31 C ATOM 0 H TRP A 16 -19.730 9.253 -11.325 1.00 45.53 H new ATOM 0 HA TRP A 16 -19.149 9.617 -14.018 1.00 13.24 H new ATOM 0 HB2 TRP A 16 -17.541 8.750 -12.410 1.00 31.24 H new ATOM 0 HB3 TRP A 16 -18.536 7.343 -12.094 1.00 31.24 H new ATOM 0 HD1 TRP A 16 -18.257 5.269 -13.710 1.00 4.53 H new ATOM 0 HE1 TRP A 16 -16.726 4.724 -15.722 1.00 51.11 H new ATOM 0 HE3 TRP A 16 -16.385 9.956 -14.519 1.00 54.12 H new ATOM 0 HZ2 TRP A 16 -14.974 6.141 -17.405 1.00 53.32 H new ATOM 0 HZ3 TRP A 16 -14.780 10.285 -16.358 1.00 72.20 H new ATOM 0 HH2 TRP A 16 -14.088 8.401 -17.784 1.00 2.31 H new ATOM 215 N GLU A 17 -20.971 6.908 -13.452 1.00 73.34 N ATOM 216 CA GLU A 17 -21.866 5.949 -14.090 1.00 13.12 C ATOM 217 C GLU A 17 -23.037 6.661 -14.763 1.00 23.12 C ATOM 218 O GLU A 17 -23.620 6.153 -15.721 1.00 31.12 O ATOM 219 CB GLU A 17 -22.388 4.943 -13.062 1.00 12.43 C ATOM 220 CG GLU A 17 -21.345 3.933 -12.615 1.00 30.01 C ATOM 221 CD GLU A 17 -21.962 2.679 -12.027 1.00 72.54 C ATOM 222 OE1 GLU A 17 -22.497 1.861 -12.804 1.00 61.12 O1- ATOM 223 OE2 GLU A 17 -21.909 2.517 -10.790 1.00 64.54 O ATOM 0 H GLU A 17 -20.847 6.768 -12.449 1.00 73.34 H new ATOM 0 HA GLU A 17 -21.301 5.416 -14.854 1.00 13.12 H new ATOM 0 HB2 GLU A 17 -22.754 5.484 -12.190 1.00 12.43 H new ATOM 0 HB3 GLU A 17 -23.239 4.410 -13.487 1.00 12.43 H new ATOM 0 HG2 GLU A 17 -20.720 3.661 -13.466 1.00 30.01 H new ATOM 0 HG3 GLU A 17 -20.692 4.394 -11.874 1.00 30.01 H new ATOM 230 N LYS A 18 -23.377 7.840 -14.253 1.00 1.41 N ATOM 231 CA LYS A 18 -24.476 8.623 -14.801 1.00 73.43 C ATOM 232 C LYS A 18 -24.074 9.277 -16.119 1.00 53.11 C ATOM 233 O LYS A 18 -24.780 9.160 -17.122 1.00 51.42 O ATOM 234 CB LYS A 18 -24.916 9.695 -13.802 1.00 22.13 C ATOM 235 CG LYS A 18 -26.388 9.620 -13.437 1.00 52.13 C ATOM 236 CD LYS A 18 -26.609 8.822 -12.164 1.00 42.11 C ATOM 237 CE LYS A 18 -27.342 7.519 -12.443 1.00 24.04 C ATOM 238 NZ LYS A 18 -28.811 7.726 -12.572 1.00 54.22 N1+ ATOM 0 H LYS A 18 -22.906 8.274 -13.459 1.00 1.41 H new ATOM 0 HA LYS A 18 -25.310 7.947 -14.990 1.00 73.43 H new ATOM 0 HB2 LYS A 18 -24.320 9.600 -12.894 1.00 22.13 H new ATOM 0 HB3 LYS A 18 -24.704 10.679 -14.221 1.00 22.13 H new ATOM 0 HG2 LYS A 18 -26.783 10.628 -13.309 1.00 52.13 H new ATOM 0 HG3 LYS A 18 -26.943 9.162 -14.255 1.00 52.13 H new ATOM 0 HD2 LYS A 18 -25.648 8.607 -11.697 1.00 42.11 H new ATOM 0 HD3 LYS A 18 -27.182 9.418 -11.454 1.00 42.11 H new ATOM 0 HE2 LYS A 18 -26.956 7.074 -13.360 1.00 24.04 H new ATOM 0 HE3 LYS A 18 -27.144 6.811 -11.638 1.00 24.04 H new ATOM 0 HZ1 LYS A 18 -29.275 6.815 -12.762 1.00 54.22 H new ATOM 0 HZ2 LYS A 18 -29.184 8.127 -11.688 1.00 54.22 H new ATOM 0 HZ3 LYS A 18 -29.002 8.381 -13.357 1.00 54.22 H new ATOM 252 N ILE A 19 -22.936 9.964 -16.111 1.00 10.31 N ATOM 253 CA ILE A 19 -22.439 10.634 -17.307 1.00 23.40 C ATOM 254 C ILE A 19 -22.393 9.677 -18.493 1.00 32.53 C ATOM 255 O ILE A 19 -22.055 8.503 -18.344 1.00 41.03 O ATOM 256 CB ILE A 19 -21.034 11.221 -17.079 1.00 55.03 C ATOM 257 CG1 ILE A 19 -21.054 12.212 -15.915 1.00 5.23 C ATOM 258 CG2 ILE A 19 -20.531 11.895 -18.347 1.00 34.41 C ATOM 259 CD1 ILE A 19 -19.904 12.030 -14.947 1.00 33.22 C ATOM 0 H ILE A 19 -22.341 10.071 -15.290 1.00 10.31 H new ATOM 0 HA ILE A 19 -23.132 11.447 -17.526 1.00 23.40 H new ATOM 0 HB ILE A 19 -20.353 10.408 -16.827 1.00 55.03 H new ATOM 0 HG12 ILE A 19 -21.027 13.227 -16.312 1.00 5.23 H new ATOM 0 HG13 ILE A 19 -21.994 12.106 -15.374 1.00 5.23 H new ATOM 0 HG21 ILE A 19 -19.537 12.305 -18.171 1.00 34.41 H new ATOM 0 HG22 ILE A 19 -20.484 11.164 -19.154 1.00 34.41 H new ATOM 0 HG23 ILE A 19 -21.211 12.700 -18.626 1.00 34.41 H new ATOM 0 HD11 ILE A 19 -19.982 12.766 -14.147 1.00 33.22 H new ATOM 0 HD12 ILE A 19 -19.941 11.027 -14.522 1.00 33.22 H new ATOM 0 HD13 ILE A 19 -18.960 12.165 -15.474 1.00 33.22 H new ATOM 271 N ARG A 20 -22.734 10.188 -19.672 1.00 61.12 N ATOM 272 CA ARG A 20 -22.731 9.380 -20.885 1.00 45.53 C ATOM 273 C ARG A 20 -21.546 9.742 -21.777 1.00 23.45 C ATOM 274 O ARG A 20 -21.005 10.845 -21.690 1.00 63.22 O ATOM 275 CB ARG A 20 -24.039 9.572 -21.655 1.00 24.21 C ATOM 276 CG ARG A 20 -25.269 9.117 -20.887 1.00 75.13 C ATOM 277 CD ARG A 20 -26.536 9.753 -21.439 1.00 3.15 C ATOM 278 NE ARG A 20 -27.567 9.896 -20.414 1.00 14.05 N ATOM 279 CZ ARG A 20 -28.737 10.489 -20.626 1.00 41.20 C ATOM 280 NH1 ARG A 20 -29.022 10.992 -21.818 1.00 72.05 N1+ ATOM 281 NH2 ARG A 20 -29.624 10.580 -19.643 1.00 42.13 N ATOM 0 H ARG A 20 -23.016 11.158 -19.812 1.00 61.12 H new ATOM 0 HA ARG A 20 -22.639 8.334 -20.594 1.00 45.53 H new ATOM 0 HB2 ARG A 20 -24.149 10.626 -21.910 1.00 24.21 H new ATOM 0 HB3 ARG A 20 -23.983 9.021 -22.594 1.00 24.21 H new ATOM 0 HG2 ARG A 20 -25.352 8.031 -20.941 1.00 75.13 H new ATOM 0 HG3 ARG A 20 -25.159 9.377 -19.834 1.00 75.13 H new ATOM 0 HD2 ARG A 20 -26.299 10.733 -21.854 1.00 3.15 H new ATOM 0 HD3 ARG A 20 -26.920 9.144 -22.258 1.00 3.15 H new ATOM 0 HE ARG A 20 -27.378 9.520 -19.485 1.00 14.05 H new ATOM 0 HH11 ARG A 20 -28.343 10.925 -22.576 1.00 72.05 H new ATOM 0 HH12 ARG A 20 -29.921 11.447 -21.978 1.00 72.05 H new ATOM 0 HH21 ARG A 20 -29.408 10.195 -18.724 1.00 42.13 H new ATOM 0 HH22 ARG A 20 -30.522 11.035 -19.807 1.00 42.13 H new ATOM 295 N LEU A 21 -21.148 8.805 -22.630 1.00 51.21 N ATOM 296 CA LEU A 21 -20.027 9.024 -23.537 1.00 41.04 C ATOM 297 C LEU A 21 -20.397 10.022 -24.630 1.00 12.34 C ATOM 298 O LEU A 21 -19.553 10.787 -25.098 1.00 41.10 O ATOM 299 CB LEU A 21 -19.589 7.701 -24.168 1.00 21.22 C ATOM 300 CG LEU A 21 -19.348 6.543 -23.198 1.00 73.21 C ATOM 301 CD1 LEU A 21 -19.846 5.236 -23.794 1.00 32.41 C ATOM 302 CD2 LEU A 21 -17.872 6.442 -22.845 1.00 4.05 C ATOM 0 H LEU A 21 -21.585 7.887 -22.713 1.00 51.21 H new ATOM 0 HA LEU A 21 -19.200 9.436 -22.958 1.00 41.04 H new ATOM 0 HB2 LEU A 21 -20.349 7.395 -24.887 1.00 21.22 H new ATOM 0 HB3 LEU A 21 -18.671 7.875 -24.730 1.00 21.22 H new ATOM 0 HG LEU A 21 -19.907 6.738 -22.283 1.00 73.21 H new ATOM 0 HD11 LEU A 21 -19.666 4.423 -23.090 1.00 32.41 H new ATOM 0 HD12 LEU A 21 -20.915 5.312 -23.996 1.00 32.41 H new ATOM 0 HD13 LEU A 21 -19.315 5.034 -24.724 1.00 32.41 H new ATOM 0 HD21 LEU A 21 -17.719 5.613 -22.154 1.00 4.05 H new ATOM 0 HD22 LEU A 21 -17.292 6.270 -23.752 1.00 4.05 H new ATOM 0 HD23 LEU A 21 -17.546 7.370 -22.376 1.00 4.05 H new ATOM 314 N ARG A 22 -21.665 10.011 -25.029 1.00 51.43 N ATOM 315 CA ARG A 22 -22.147 10.917 -26.066 1.00 24.14 C ATOM 316 C ARG A 22 -23.493 11.519 -25.677 1.00 60.55 C ATOM 317 O ARG A 22 -24.222 10.985 -24.841 1.00 33.11 O ATOM 318 CB ARG A 22 -22.271 10.179 -27.400 1.00 63.44 C ATOM 319 CG ARG A 22 -21.101 10.417 -28.340 1.00 21.41 C ATOM 320 CD ARG A 22 -21.131 9.460 -29.520 1.00 64.15 C ATOM 321 NE ARG A 22 -20.843 10.138 -30.782 1.00 63.45 N ATOM 322 CZ ARG A 22 -20.798 9.517 -31.956 1.00 44.13 C ATOM 323 NH1 ARG A 22 -21.020 8.211 -32.029 1.00 2.44 N1+ ATOM 324 NH2 ARG A 22 -20.530 10.202 -33.060 1.00 2.24 N ATOM 0 H ARG A 22 -22.376 9.386 -24.651 1.00 51.43 H new ATOM 0 HA ARG A 22 -21.424 11.726 -26.173 1.00 24.14 H new ATOM 0 HB2 ARG A 22 -22.359 9.110 -27.207 1.00 63.44 H new ATOM 0 HB3 ARG A 22 -23.192 10.491 -27.894 1.00 63.44 H new ATOM 0 HG2 ARG A 22 -21.128 11.445 -28.703 1.00 21.41 H new ATOM 0 HG3 ARG A 22 -20.165 10.295 -27.795 1.00 21.41 H new ATOM 0 HD2 ARG A 22 -20.402 8.665 -29.361 1.00 64.15 H new ATOM 0 HD3 ARG A 22 -22.111 8.987 -29.578 1.00 64.15 H new ATOM 0 HE ARG A 22 -20.667 11.142 -30.761 1.00 63.45 H new ATOM 0 HH11 ARG A 22 -21.226 7.681 -31.182 1.00 2.44 H new ATOM 0 HH12 ARG A 22 -20.985 7.737 -32.932 1.00 2.44 H new ATOM 0 HH21 ARG A 22 -20.358 11.206 -33.008 1.00 2.24 H new ATOM 0 HH22 ARG A 22 -20.496 9.725 -33.961 1.00 2.24 H new ATOM 338 N PRO A 23 -23.834 12.658 -26.298 1.00 53.52 N ATOM 339 CA PRO A 23 -25.094 13.358 -26.033 1.00 74.23 C ATOM 340 C PRO A 23 -26.303 12.594 -26.563 1.00 12.43 C ATOM 341 O PRO A 23 -27.346 12.534 -25.912 1.00 42.42 O ATOM 342 CB PRO A 23 -24.928 14.683 -26.782 1.00 11.20 C ATOM 343 CG PRO A 23 -23.950 14.385 -27.866 1.00 51.23 C ATOM 344 CD PRO A 23 -23.014 13.351 -27.306 1.00 43.50 C ATOM 0 HA PRO A 23 -25.278 13.477 -24.965 1.00 74.23 H new ATOM 0 HB2 PRO A 23 -25.878 15.029 -27.190 1.00 11.20 H new ATOM 0 HB3 PRO A 23 -24.560 15.468 -26.121 1.00 11.20 H new ATOM 0 HG2 PRO A 23 -24.456 14.012 -28.756 1.00 51.23 H new ATOM 0 HG3 PRO A 23 -23.408 15.284 -28.160 1.00 51.23 H new ATOM 0 HD2 PRO A 23 -22.663 12.666 -28.078 1.00 43.50 H new ATOM 0 HD3 PRO A 23 -22.131 13.808 -26.860 1.00 43.50 H new ATOM 352 N GLY A 24 -26.156 12.012 -27.749 1.00 74.53 N ATOM 353 CA GLY A 24 -27.245 11.259 -28.346 1.00 14.44 C ATOM 354 C GLY A 24 -26.954 9.773 -28.412 1.00 50.30 C ATOM 355 O GLY A 24 -27.194 9.132 -29.434 1.00 25.21 O ATOM 0 H GLY A 24 -25.303 12.048 -28.307 1.00 74.53 H new ATOM 0 HA2 GLY A 24 -28.155 11.423 -27.769 1.00 14.44 H new ATOM 0 HA3 GLY A 24 -27.434 11.634 -29.352 1.00 14.44 H new ATOM 359 N GLY A 25 -26.433 9.224 -27.318 1.00 13.11 N ATOM 360 CA GLY A 25 -26.116 7.809 -27.278 1.00 63.23 C ATOM 361 C GLY A 25 -27.131 7.010 -26.485 1.00 61.32 C ATOM 362 O GLY A 25 -28.141 7.549 -26.032 1.00 44.40 O ATOM 0 H GLY A 25 -26.225 9.734 -26.460 1.00 13.11 H new ATOM 0 HA2 GLY A 25 -26.068 7.422 -28.296 1.00 63.23 H new ATOM 0 HA3 GLY A 25 -25.128 7.673 -26.838 1.00 63.23 H new ATOM 366 N LYS A 26 -26.865 5.719 -26.318 1.00 5.43 N ATOM 367 CA LYS A 26 -27.762 4.842 -25.575 1.00 4.21 C ATOM 368 C LYS A 26 -27.002 4.068 -24.503 1.00 1.43 C ATOM 369 O LYS A 26 -27.409 2.976 -24.104 1.00 4.23 O ATOM 370 CB LYS A 26 -28.459 3.866 -26.526 1.00 1.55 C ATOM 371 CG LYS A 26 -29.848 3.460 -26.070 1.00 34.44 C ATOM 372 CD LYS A 26 -30.025 1.951 -26.093 1.00 60.10 C ATOM 373 CE LYS A 26 -30.351 1.449 -27.491 1.00 34.32 C ATOM 374 NZ LYS A 26 -29.459 0.331 -27.902 1.00 22.33 N1+ ATOM 0 H LYS A 26 -26.034 5.256 -26.688 1.00 5.43 H new ATOM 0 HA LYS A 26 -28.513 5.463 -25.086 1.00 4.21 H new ATOM 0 HB2 LYS A 26 -28.529 4.322 -27.514 1.00 1.55 H new ATOM 0 HB3 LYS A 26 -27.844 2.972 -26.630 1.00 1.55 H new ATOM 0 HG2 LYS A 26 -30.024 3.832 -25.061 1.00 34.44 H new ATOM 0 HG3 LYS A 26 -30.594 3.924 -26.715 1.00 34.44 H new ATOM 0 HD2 LYS A 26 -29.113 1.471 -25.736 1.00 60.10 H new ATOM 0 HD3 LYS A 26 -30.824 1.667 -25.408 1.00 60.10 H new ATOM 0 HE2 LYS A 26 -31.389 1.117 -27.524 1.00 34.32 H new ATOM 0 HE3 LYS A 26 -30.256 2.269 -28.202 1.00 34.32 H new ATOM 0 HZ1 LYS A 26 -29.714 0.018 -28.860 1.00 22.33 H new ATOM 0 HZ2 LYS A 26 -28.471 0.655 -27.895 1.00 22.33 H new ATOM 0 HZ3 LYS A 26 -29.568 -0.462 -27.238 1.00 22.33 H new ATOM 388 N LYS A 27 -25.896 4.640 -24.038 1.00 15.50 N ATOM 389 CA LYS A 27 -25.080 4.007 -23.010 1.00 24.51 C ATOM 390 C LYS A 27 -24.417 5.052 -22.120 1.00 3.44 C ATOM 391 O LYS A 27 -24.193 6.186 -22.542 1.00 51.31 O ATOM 392 CB LYS A 27 -24.013 3.117 -23.653 1.00 1.43 C ATOM 393 CG LYS A 27 -24.034 1.683 -23.153 1.00 54.13 C ATOM 394 CD LYS A 27 -22.966 0.840 -23.831 1.00 75.32 C ATOM 395 CE LYS A 27 -23.016 -0.605 -23.360 1.00 51.32 C ATOM 396 NZ LYS A 27 -23.449 -1.527 -24.446 1.00 23.32 N1+ ATOM 0 H LYS A 27 -25.544 5.542 -24.358 1.00 15.50 H new ATOM 0 HA LYS A 27 -25.733 3.392 -22.391 1.00 24.51 H new ATOM 0 HB2 LYS A 27 -24.154 3.118 -24.734 1.00 1.43 H new ATOM 0 HB3 LYS A 27 -23.030 3.546 -23.460 1.00 1.43 H new ATOM 0 HG2 LYS A 27 -23.878 1.671 -22.074 1.00 54.13 H new ATOM 0 HG3 LYS A 27 -25.015 1.246 -23.338 1.00 54.13 H new ATOM 0 HD2 LYS A 27 -23.103 0.877 -24.912 1.00 75.32 H new ATOM 0 HD3 LYS A 27 -21.982 1.259 -23.620 1.00 75.32 H new ATOM 0 HE2 LYS A 27 -22.031 -0.904 -23.001 1.00 51.32 H new ATOM 0 HE3 LYS A 27 -23.702 -0.689 -22.517 1.00 51.32 H new ATOM 0 HZ1 LYS A 27 -23.470 -2.502 -24.085 1.00 23.32 H new ATOM 0 HZ2 LYS A 27 -24.399 -1.257 -24.772 1.00 23.32 H new ATOM 0 HZ3 LYS A 27 -22.780 -1.466 -25.240 1.00 23.32 H new ATOM 410 N GLN A 28 -24.102 4.663 -20.888 1.00 34.52 N ATOM 411 CA GLN A 28 -23.464 5.568 -19.940 1.00 60.04 C ATOM 412 C GLN A 28 -21.994 5.209 -19.751 1.00 32.54 C ATOM 413 O GLN A 28 -21.463 4.341 -20.444 1.00 11.22 O ATOM 414 CB GLN A 28 -24.190 5.525 -18.594 1.00 41.13 C ATOM 415 CG GLN A 28 -25.703 5.582 -18.717 1.00 31.34 C ATOM 416 CD GLN A 28 -26.386 5.871 -17.394 1.00 0.31 C ATOM 417 OE1 GLN A 28 -26.463 5.007 -16.520 1.00 74.35 O ATOM 418 NE2 GLN A 28 -26.884 7.093 -17.240 1.00 11.12 N ATOM 0 H GLN A 28 -24.279 3.727 -20.524 1.00 34.52 H new ATOM 0 HA GLN A 28 -23.523 6.579 -20.344 1.00 60.04 H new ATOM 0 HB2 GLN A 28 -23.911 4.611 -18.069 1.00 41.13 H new ATOM 0 HB3 GLN A 28 -23.852 6.361 -17.981 1.00 41.13 H new ATOM 0 HG2 GLN A 28 -25.976 6.352 -19.438 1.00 31.34 H new ATOM 0 HG3 GLN A 28 -26.068 4.633 -19.110 1.00 31.34 H new ATOM 0 HE21 GLN A 28 -26.797 7.777 -17.991 1.00 11.12 H new ATOM 0 HE22 GLN A 28 -27.353 7.347 -16.370 1.00 11.12 H new ATOM 427 N TYR A 29 -21.343 5.882 -18.809 1.00 55.32 N ATOM 428 CA TYR A 29 -19.933 5.636 -18.531 1.00 1.25 C ATOM 429 C TYR A 29 -19.765 4.480 -17.550 1.00 4.15 C ATOM 430 O TYR A 29 -20.625 4.238 -16.703 1.00 34.51 O ATOM 431 CB TYR A 29 -19.275 6.898 -17.968 1.00 65.41 C ATOM 432 CG TYR A 29 -18.518 7.699 -19.003 1.00 11.35 C ATOM 433 CD1 TYR A 29 -17.258 7.300 -19.434 1.00 72.41 C ATOM 434 CD2 TYR A 29 -19.062 8.855 -19.548 1.00 11.11 C ATOM 435 CE1 TYR A 29 -16.563 8.030 -20.378 1.00 52.20 C ATOM 436 CE2 TYR A 29 -18.374 9.591 -20.494 1.00 45.31 C ATOM 437 CZ TYR A 29 -17.125 9.174 -20.905 1.00 72.44 C ATOM 438 OH TYR A 29 -16.436 9.904 -21.847 1.00 70.04 O ATOM 0 H TYR A 29 -21.769 6.602 -18.225 1.00 55.32 H new ATOM 0 HA TYR A 29 -19.445 5.367 -19.468 1.00 1.25 H new ATOM 0 HB2 TYR A 29 -20.043 7.530 -17.522 1.00 65.41 H new ATOM 0 HB3 TYR A 29 -18.591 6.615 -17.168 1.00 65.41 H new ATOM 0 HD1 TYR A 29 -16.815 6.404 -19.024 1.00 72.41 H new ATOM 0 HD2 TYR A 29 -20.039 9.184 -19.227 1.00 11.11 H new ATOM 0 HE1 TYR A 29 -15.585 7.707 -20.702 1.00 52.20 H new ATOM 0 HE2 TYR A 29 -18.811 10.487 -20.909 1.00 45.31 H new ATOM 0 HH TYR A 29 -17.044 10.544 -22.274 1.00 70.04 H new ATOM 448 N LYS A 30 -18.649 3.768 -17.670 1.00 52.12 N ATOM 449 CA LYS A 30 -18.364 2.638 -16.794 1.00 64.42 C ATOM 450 C LYS A 30 -16.862 2.474 -16.587 1.00 71.14 C ATOM 451 O LYS A 30 -16.058 3.094 -17.286 1.00 75.21 O ATOM 452 CB LYS A 30 -18.952 1.352 -17.379 1.00 74.25 C ATOM 453 CG LYS A 30 -20.085 0.769 -16.552 1.00 30.43 C ATOM 454 CD LYS A 30 -19.618 -0.418 -15.726 1.00 73.12 C ATOM 455 CE LYS A 30 -19.598 -1.697 -16.549 1.00 55.21 C ATOM 456 NZ LYS A 30 -20.318 -2.808 -15.867 1.00 12.44 N1+ ATOM 0 H LYS A 30 -17.927 3.954 -18.366 1.00 52.12 H new ATOM 0 HA LYS A 30 -18.826 2.835 -15.827 1.00 64.42 H new ATOM 0 HB2 LYS A 30 -19.316 1.554 -18.386 1.00 74.25 H new ATOM 0 HB3 LYS A 30 -18.160 0.609 -17.469 1.00 74.25 H new ATOM 0 HG2 LYS A 30 -20.488 1.537 -15.892 1.00 30.43 H new ATOM 0 HG3 LYS A 30 -20.896 0.459 -17.211 1.00 30.43 H new ATOM 0 HD2 LYS A 30 -18.620 -0.220 -15.335 1.00 73.12 H new ATOM 0 HD3 LYS A 30 -20.277 -0.547 -14.867 1.00 73.12 H new ATOM 0 HE2 LYS A 30 -20.055 -1.511 -17.521 1.00 55.21 H new ATOM 0 HE3 LYS A 30 -18.566 -1.993 -16.734 1.00 55.21 H new ATOM 0 HZ1 LYS A 30 -20.281 -3.661 -16.460 1.00 12.44 H new ATOM 0 HZ2 LYS A 30 -19.866 -3.004 -14.951 1.00 12.44 H new ATOM 0 HZ3 LYS A 30 -21.310 -2.536 -15.713 1.00 12.44 H new ATOM 470 N LEU A 31 -16.489 1.636 -15.627 1.00 32.24 N ATOM 471 CA LEU A 31 -15.082 1.390 -15.330 1.00 74.21 C ATOM 472 C LEU A 31 -14.325 0.972 -16.586 1.00 72.35 C ATOM 473 O LEU A 31 -13.123 1.208 -16.709 1.00 31.13 O ATOM 474 CB LEU A 31 -14.949 0.308 -14.257 1.00 15.02 C ATOM 475 CG LEU A 31 -15.249 0.745 -12.823 1.00 30.34 C ATOM 476 CD1 LEU A 31 -15.634 -0.453 -11.969 1.00 61.23 C ATOM 477 CD2 LEU A 31 -14.052 1.467 -12.223 1.00 12.14 C ATOM 0 H LEU A 31 -17.141 1.115 -15.041 1.00 32.24 H new ATOM 0 HA LEU A 31 -14.647 2.318 -14.958 1.00 74.21 H new ATOM 0 HB2 LEU A 31 -15.618 -0.513 -14.513 1.00 15.02 H new ATOM 0 HB3 LEU A 31 -13.933 -0.086 -14.291 1.00 15.02 H new ATOM 0 HG LEU A 31 -16.091 1.436 -12.844 1.00 30.34 H new ATOM 0 HD11 LEU A 31 -15.844 -0.122 -10.952 1.00 61.23 H new ATOM 0 HD12 LEU A 31 -16.522 -0.927 -12.387 1.00 61.23 H new ATOM 0 HD13 LEU A 31 -14.812 -1.169 -11.955 1.00 61.23 H new ATOM 0 HD21 LEU A 31 -14.284 1.770 -11.202 1.00 12.14 H new ATOM 0 HD22 LEU A 31 -13.190 0.799 -12.216 1.00 12.14 H new ATOM 0 HD23 LEU A 31 -13.822 2.349 -12.820 1.00 12.14 H new ATOM 489 N LYS A 32 -15.038 0.351 -17.520 1.00 64.15 N ATOM 490 CA LYS A 32 -14.436 -0.098 -18.770 1.00 45.42 C ATOM 491 C LYS A 32 -13.677 1.038 -19.448 1.00 74.44 C ATOM 492 O LYS A 32 -12.689 0.809 -20.147 1.00 31.21 O ATOM 493 CB LYS A 32 -15.512 -0.641 -19.713 1.00 30.31 C ATOM 494 CG LYS A 32 -15.447 -2.146 -19.908 1.00 60.41 C ATOM 495 CD LYS A 32 -16.621 -2.845 -19.243 1.00 73.44 C ATOM 496 CE LYS A 32 -16.365 -4.336 -19.085 1.00 42.23 C ATOM 497 NZ LYS A 32 -17.453 -5.154 -19.688 1.00 73.34 N1+ ATOM 0 H LYS A 32 -16.034 0.147 -17.435 1.00 64.15 H new ATOM 0 HA LYS A 32 -13.730 -0.895 -18.538 1.00 45.42 H new ATOM 0 HB2 LYS A 32 -16.494 -0.376 -19.321 1.00 30.31 H new ATOM 0 HB3 LYS A 32 -15.413 -0.153 -20.683 1.00 30.31 H new ATOM 0 HG2 LYS A 32 -15.441 -2.376 -20.973 1.00 60.41 H new ATOM 0 HG3 LYS A 32 -14.513 -2.528 -19.495 1.00 60.41 H new ATOM 0 HD2 LYS A 32 -16.804 -2.400 -18.265 1.00 73.44 H new ATOM 0 HD3 LYS A 32 -17.522 -2.690 -19.837 1.00 73.44 H new ATOM 0 HE2 LYS A 32 -15.415 -4.593 -19.554 1.00 42.23 H new ATOM 0 HE3 LYS A 32 -16.273 -4.578 -18.026 1.00 42.23 H new ATOM 0 HZ1 LYS A 32 -17.240 -6.164 -19.559 1.00 73.34 H new ATOM 0 HZ2 LYS A 32 -18.356 -4.928 -19.223 1.00 73.34 H new ATOM 0 HZ3 LYS A 32 -17.524 -4.942 -20.704 1.00 73.34 H new ATOM 511 N HIS A 33 -14.145 2.265 -19.236 1.00 63.33 N ATOM 512 CA HIS A 33 -13.509 3.438 -19.824 1.00 72.25 C ATOM 513 C HIS A 33 -12.358 3.927 -18.950 1.00 55.04 C ATOM 514 O HIS A 33 -11.397 4.447 -19.520 1.00 35.03 O ATOM 515 CB HIS A 33 -14.532 4.559 -20.014 1.00 31.25 C ATOM 516 CG HIS A 33 -15.784 4.116 -20.708 1.00 23.52 C ATOM 517 ND1 HIS A 33 -17.024 4.131 -20.106 1.00 23.34 N ATOM 518 CD2 HIS A 33 -15.982 3.644 -21.961 1.00 10.04 C ATOM 519 CE1 HIS A 33 -17.931 3.687 -20.958 1.00 65.02 C ATOM 520 NE2 HIS A 33 -17.324 3.385 -22.093 1.00 4.25 N ATOM 0 H HIS A 33 -14.962 2.472 -18.662 1.00 63.33 H new ATOM 0 HA HIS A 33 -13.108 3.154 -20.797 1.00 72.25 H new ATOM 0 HB2 HIS A 33 -14.793 4.971 -19.039 1.00 31.25 H new ATOM 0 HB3 HIS A 33 -14.074 5.365 -20.588 1.00 31.25 H new ATOM 0 HD2 HIS A 33 -15.225 3.498 -22.717 1.00 10.04 H new ATOM 0 HE1 HIS A 33 -18.988 3.588 -20.761 1.00 65.02 H new ATOM 0 HE2 HIS A 33 -17.778 3.019 -22.930 1.00 4.25 H new ATOM 528 N ILE A 34 -12.426 3.782 -17.632 1.00 64.42 N ATOM 529 CA ILE A 34 -11.350 4.233 -16.757 1.00 63.33 C ATOM 530 C ILE A 34 -10.129 3.327 -16.877 1.00 45.42 C ATOM 531 O ILE A 34 -8.990 3.793 -16.828 1.00 53.15 O ATOM 532 CB ILE A 34 -11.802 4.274 -15.285 1.00 14.40 C ATOM 533 CG1 ILE A 34 -13.131 5.021 -15.159 1.00 23.34 C ATOM 534 CG2 ILE A 34 -10.735 4.931 -14.422 1.00 41.43 C ATOM 535 CD1 ILE A 34 -13.679 5.042 -13.748 1.00 75.23 C ATOM 0 H ILE A 34 -13.215 3.356 -17.145 1.00 64.42 H new ATOM 0 HA ILE A 34 -11.085 5.241 -17.075 1.00 63.33 H new ATOM 0 HB ILE A 34 -11.946 3.252 -14.935 1.00 14.40 H new ATOM 0 HG12 ILE A 34 -12.997 6.046 -15.504 1.00 23.34 H new ATOM 0 HG13 ILE A 34 -13.864 4.556 -15.818 1.00 23.34 H new ATOM 0 HG21 ILE A 34 -11.069 4.953 -13.385 1.00 41.43 H new ATOM 0 HG22 ILE A 34 -9.808 4.362 -14.493 1.00 41.43 H new ATOM 0 HG23 ILE A 34 -10.563 5.950 -14.769 1.00 41.43 H new ATOM 0 HD11 ILE A 34 -14.622 5.588 -13.732 1.00 75.23 H new ATOM 0 HD12 ILE A 34 -13.845 4.020 -13.407 1.00 75.23 H new ATOM 0 HD13 ILE A 34 -12.965 5.533 -13.087 1.00 75.23 H new ATOM 547 N VAL A 35 -10.373 2.030 -17.035 1.00 52.14 N ATOM 548 CA VAL A 35 -9.293 1.059 -17.166 1.00 22.05 C ATOM 549 C VAL A 35 -8.574 1.212 -18.501 1.00 14.32 C ATOM 550 O VAL A 35 -7.345 1.254 -18.555 1.00 42.22 O ATOM 551 CB VAL A 35 -9.818 -0.383 -17.040 1.00 44.21 C ATOM 552 CG1 VAL A 35 -8.682 -1.381 -17.207 1.00 44.14 C ATOM 553 CG2 VAL A 35 -10.518 -0.580 -15.704 1.00 42.01 C ATOM 0 H VAL A 35 -11.309 1.627 -17.075 1.00 52.14 H new ATOM 0 HA VAL A 35 -8.591 1.255 -16.355 1.00 22.05 H new ATOM 0 HB VAL A 35 -10.544 -0.558 -17.834 1.00 44.21 H new ATOM 0 HG11 VAL A 35 -9.072 -2.395 -17.115 1.00 44.14 H new ATOM 0 HG12 VAL A 35 -8.228 -1.255 -18.190 1.00 44.14 H new ATOM 0 HG13 VAL A 35 -7.931 -1.210 -16.436 1.00 44.14 H new ATOM 0 HG21 VAL A 35 -10.883 -1.605 -15.632 1.00 42.01 H new ATOM 0 HG22 VAL A 35 -9.816 -0.387 -14.893 1.00 42.01 H new ATOM 0 HG23 VAL A 35 -11.358 0.110 -15.628 1.00 42.01 H new ATOM 563 N TRP A 36 -9.349 1.297 -19.577 1.00 41.34 N ATOM 564 CA TRP A 36 -8.785 1.445 -20.914 1.00 14.21 C ATOM 565 C TRP A 36 -7.826 2.631 -20.972 1.00 64.32 C ATOM 566 O TRP A 36 -6.686 2.496 -21.414 1.00 43.03 O ATOM 567 CB TRP A 36 -9.902 1.627 -21.944 1.00 11.15 C ATOM 568 CG TRP A 36 -9.396 1.835 -23.338 1.00 74.51 C ATOM 569 CD1 TRP A 36 -8.990 0.870 -24.215 1.00 60.22 C ATOM 570 CD2 TRP A 36 -9.241 3.087 -24.016 1.00 42.55 C ATOM 571 NE1 TRP A 36 -8.592 1.447 -25.397 1.00 45.21 N ATOM 572 CE2 TRP A 36 -8.737 2.805 -25.301 1.00 21.31 C ATOM 573 CE3 TRP A 36 -9.480 4.418 -23.664 1.00 25.50 C ATOM 574 CZ2 TRP A 36 -8.467 3.806 -26.231 1.00 35.42 C ATOM 575 CZ3 TRP A 36 -9.213 5.410 -24.588 1.00 10.24 C ATOM 576 CH2 TRP A 36 -8.711 5.100 -25.859 1.00 71.22 C ATOM 0 H TRP A 36 -10.368 1.266 -19.550 1.00 41.34 H new ATOM 0 HA TRP A 36 -8.228 0.538 -21.149 1.00 14.21 H new ATOM 0 HB2 TRP A 36 -10.549 0.750 -21.927 1.00 11.15 H new ATOM 0 HB3 TRP A 36 -10.516 2.481 -21.657 1.00 11.15 H new ATOM 0 HD1 TRP A 36 -8.983 -0.190 -24.010 1.00 60.22 H new ATOM 0 HE1 TRP A 36 -8.245 0.945 -26.214 1.00 45.21 H new ATOM 0 HE3 TRP A 36 -9.867 4.667 -22.687 1.00 25.50 H new ATOM 0 HZ2 TRP A 36 -8.079 3.569 -27.211 1.00 35.42 H new ATOM 0 HZ3 TRP A 36 -9.394 6.442 -24.326 1.00 10.24 H new ATOM 0 HH2 TRP A 36 -8.513 5.898 -26.559 1.00 71.22 H new ATOM 587 N ALA A 37 -8.297 3.789 -20.522 1.00 53.34 N ATOM 588 CA ALA A 37 -7.479 4.996 -20.521 1.00 11.13 C ATOM 589 C ALA A 37 -6.140 4.752 -19.835 1.00 64.20 C ATOM 590 O ALA A 37 -5.086 5.097 -20.369 1.00 3.41 O ATOM 591 CB ALA A 37 -8.223 6.135 -19.840 1.00 11.43 C ATOM 0 H ALA A 37 -9.240 3.917 -20.154 1.00 53.34 H new ATOM 0 HA ALA A 37 -7.281 5.272 -21.557 1.00 11.13 H new ATOM 0 HB1 ALA A 37 -7.601 7.030 -19.846 1.00 11.43 H new ATOM 0 HB2 ALA A 37 -9.152 6.334 -20.375 1.00 11.43 H new ATOM 0 HB3 ALA A 37 -8.450 5.857 -18.811 1.00 11.43 H new ATOM 597 N SER A 38 -6.188 4.153 -18.649 1.00 44.23 N ATOM 598 CA SER A 38 -4.978 3.866 -17.888 1.00 41.41 C ATOM 599 C SER A 38 -3.963 3.113 -18.744 1.00 21.03 C ATOM 600 O SER A 38 -2.798 3.503 -18.833 1.00 20.51 O ATOM 601 CB SER A 38 -5.316 3.049 -16.640 1.00 64.21 C ATOM 602 OG SER A 38 -5.576 3.892 -15.532 1.00 51.35 O ATOM 0 H SER A 38 -7.052 3.857 -18.195 1.00 44.23 H new ATOM 0 HA SER A 38 -4.537 4.815 -17.583 1.00 41.41 H new ATOM 0 HB2 SER A 38 -6.186 2.423 -16.836 1.00 64.21 H new ATOM 0 HB3 SER A 38 -4.488 2.380 -16.405 1.00 64.21 H new ATOM 0 HG SER A 38 -5.791 3.345 -14.748 1.00 51.35 H new ATOM 608 N ARG A 39 -4.415 2.032 -19.371 1.00 4.21 N ATOM 609 CA ARG A 39 -3.548 1.223 -20.219 1.00 22.21 C ATOM 610 C ARG A 39 -2.984 2.052 -21.370 1.00 34.45 C ATOM 611 O ARG A 39 -1.915 1.751 -21.898 1.00 74.00 O ATOM 612 CB ARG A 39 -4.316 0.020 -20.771 1.00 12.33 C ATOM 613 CG ARG A 39 -3.436 -0.988 -21.489 1.00 44.30 C ATOM 614 CD ARG A 39 -4.166 -1.636 -22.655 1.00 44.12 C ATOM 615 NE ARG A 39 -3.370 -2.685 -23.286 1.00 10.50 N ATOM 616 CZ ARG A 39 -2.299 -2.444 -24.036 1.00 70.44 C ATOM 617 NH1 ARG A 39 -1.901 -1.198 -24.248 1.00 44.11 N1+ ATOM 618 NH2 ARG A 39 -1.627 -3.453 -24.576 1.00 0.40 N ATOM 0 H ARG A 39 -5.376 1.696 -19.308 1.00 4.21 H new ATOM 0 HA ARG A 39 -2.717 0.867 -19.610 1.00 22.21 H new ATOM 0 HB2 ARG A 39 -4.830 -0.480 -19.950 1.00 12.33 H new ATOM 0 HB3 ARG A 39 -5.083 0.375 -21.459 1.00 12.33 H new ATOM 0 HG2 ARG A 39 -2.536 -0.493 -21.852 1.00 44.30 H new ATOM 0 HG3 ARG A 39 -3.115 -1.757 -20.787 1.00 44.30 H new ATOM 0 HD2 ARG A 39 -5.108 -2.058 -22.303 1.00 44.12 H new ATOM 0 HD3 ARG A 39 -4.414 -0.875 -23.395 1.00 44.12 H new ATOM 0 HE ARG A 39 -3.651 -3.655 -23.144 1.00 10.50 H new ATOM 0 HH11 ARG A 39 -2.417 -0.421 -23.835 1.00 44.11 H new ATOM 0 HH12 ARG A 39 -1.079 -1.016 -24.824 1.00 44.11 H new ATOM 0 HH21 ARG A 39 -1.932 -4.413 -24.416 1.00 0.40 H new ATOM 0 HH22 ARG A 39 -0.805 -3.269 -25.151 1.00 0.40 H new ATOM 632 N GLU A 40 -3.713 3.096 -21.752 1.00 33.32 N ATOM 633 CA GLU A 40 -3.286 3.967 -22.841 1.00 20.44 C ATOM 634 C GLU A 40 -2.321 5.036 -22.336 1.00 33.30 C ATOM 635 O GLU A 40 -1.491 5.546 -23.089 1.00 64.34 O ATOM 636 CB GLU A 40 -4.498 4.629 -23.499 1.00 73.43 C ATOM 637 CG GLU A 40 -4.346 4.825 -24.998 1.00 43.42 C ATOM 638 CD GLU A 40 -4.254 3.512 -25.752 1.00 62.22 C ATOM 639 OE1 GLU A 40 -5.315 2.930 -26.063 1.00 11.45 O1- ATOM 640 OE2 GLU A 40 -3.121 3.066 -26.032 1.00 32.24 O ATOM 0 H GLU A 40 -4.601 3.359 -21.324 1.00 33.32 H new ATOM 0 HA GLU A 40 -2.769 3.355 -23.580 1.00 20.44 H new ATOM 0 HB2 GLU A 40 -5.382 4.020 -23.309 1.00 73.43 H new ATOM 0 HB3 GLU A 40 -4.671 5.598 -23.030 1.00 73.43 H new ATOM 0 HG2 GLU A 40 -5.195 5.397 -25.374 1.00 43.42 H new ATOM 0 HG3 GLU A 40 -3.451 5.416 -25.194 1.00 43.42 H new ATOM 647 N LEU A 41 -2.437 5.371 -21.056 1.00 15.42 N ATOM 648 CA LEU A 41 -1.576 6.381 -20.448 1.00 61.21 C ATOM 649 C LEU A 41 -0.144 5.869 -20.320 1.00 70.43 C ATOM 650 O LEU A 41 0.804 6.550 -20.709 1.00 22.53 O ATOM 651 CB LEU A 41 -2.113 6.776 -19.072 1.00 50.24 C ATOM 652 CG LEU A 41 -3.080 7.961 -19.044 1.00 24.31 C ATOM 653 CD1 LEU A 41 -3.582 8.206 -17.630 1.00 10.52 C ATOM 654 CD2 LEU A 41 -2.409 9.209 -19.599 1.00 74.23 C ATOM 0 H LEU A 41 -3.118 4.959 -20.419 1.00 15.42 H new ATOM 0 HA LEU A 41 -1.573 7.258 -21.095 1.00 61.21 H new ATOM 0 HB2 LEU A 41 -2.616 5.912 -18.639 1.00 50.24 H new ATOM 0 HB3 LEU A 41 -1.266 7.008 -18.427 1.00 50.24 H new ATOM 0 HG LEU A 41 -3.936 7.723 -19.675 1.00 24.31 H new ATOM 0 HD11 LEU A 41 -4.269 9.053 -17.629 1.00 10.52 H new ATOM 0 HD12 LEU A 41 -4.101 7.318 -17.269 1.00 10.52 H new ATOM 0 HD13 LEU A 41 -2.737 8.424 -16.977 1.00 10.52 H new ATOM 0 HD21 LEU A 41 -3.111 10.042 -19.572 1.00 74.23 H new ATOM 0 HD22 LEU A 41 -1.535 9.451 -18.995 1.00 74.23 H new ATOM 0 HD23 LEU A 41 -2.100 9.029 -20.629 1.00 74.23 H new ATOM 666 N GLU A 42 0.002 4.665 -19.776 1.00 4.13 N ATOM 667 CA GLU A 42 1.318 4.063 -19.599 1.00 34.23 C ATOM 668 C GLU A 42 2.075 4.011 -20.923 1.00 23.42 C ATOM 669 O GLU A 42 3.306 4.011 -20.946 1.00 11.02 O ATOM 670 CB GLU A 42 1.184 2.652 -19.019 1.00 53.41 C ATOM 671 CG GLU A 42 2.488 1.873 -19.006 1.00 54.42 C ATOM 672 CD GLU A 42 2.545 0.811 -20.086 1.00 54.15 C ATOM 673 OE1 GLU A 42 2.510 1.176 -21.280 1.00 54.35 O1- ATOM 674 OE2 GLU A 42 2.623 -0.385 -19.738 1.00 20.23 O ATOM 0 H GLU A 42 -0.774 4.088 -19.451 1.00 4.13 H new ATOM 0 HA GLU A 42 1.882 4.683 -18.902 1.00 34.23 H new ATOM 0 HB2 GLU A 42 0.802 2.722 -18.000 1.00 53.41 H new ATOM 0 HB3 GLU A 42 0.446 2.098 -19.599 1.00 53.41 H new ATOM 0 HG2 GLU A 42 3.321 2.564 -19.137 1.00 54.42 H new ATOM 0 HG3 GLU A 42 2.615 1.402 -18.031 1.00 54.42 H new ATOM 681 N ARG A 43 1.330 3.966 -22.022 1.00 70.34 N ATOM 682 CA ARG A 43 1.930 3.911 -23.349 1.00 52.34 C ATOM 683 C ARG A 43 2.568 5.249 -23.713 1.00 33.11 C ATOM 684 O ARG A 43 3.534 5.302 -24.476 1.00 32.43 O ATOM 685 CB ARG A 43 0.877 3.536 -24.394 1.00 22.04 C ATOM 686 CG ARG A 43 1.462 2.932 -25.660 1.00 22.22 C ATOM 687 CD ARG A 43 1.726 1.444 -25.496 1.00 64.24 C ATOM 688 NE ARG A 43 2.959 1.030 -26.161 1.00 22.12 N ATOM 689 CZ ARG A 43 3.048 0.799 -27.466 1.00 65.11 C ATOM 690 NH1 ARG A 43 1.983 0.940 -28.242 1.00 31.44 N1+ ATOM 691 NH2 ARG A 43 4.206 0.425 -27.996 1.00 55.14 N ATOM 0 H ARG A 43 0.310 3.967 -22.020 1.00 70.34 H new ATOM 0 HA ARG A 43 2.708 3.148 -23.337 1.00 52.34 H new ATOM 0 HB2 ARG A 43 0.177 2.826 -23.953 1.00 22.04 H new ATOM 0 HB3 ARG A 43 0.306 4.426 -24.657 1.00 22.04 H new ATOM 0 HG2 ARG A 43 0.775 3.091 -26.491 1.00 22.22 H new ATOM 0 HG3 ARG A 43 2.392 3.442 -25.912 1.00 22.22 H new ATOM 0 HD2 ARG A 43 1.787 1.202 -24.435 1.00 64.24 H new ATOM 0 HD3 ARG A 43 0.887 0.880 -25.904 1.00 64.24 H new ATOM 0 HE ARG A 43 3.797 0.912 -25.592 1.00 22.12 H new ATOM 0 HH11 ARG A 43 1.092 1.227 -27.838 1.00 31.44 H new ATOM 0 HH12 ARG A 43 2.055 0.762 -29.244 1.00 31.44 H new ATOM 0 HH21 ARG A 43 5.027 0.315 -27.401 1.00 55.14 H new ATOM 0 HH22 ARG A 43 4.275 0.248 -28.998 1.00 55.14 H new ATOM 705 N PHE A 44 2.022 6.328 -23.164 1.00 22.54 N ATOM 706 CA PHE A 44 2.536 7.666 -23.430 1.00 42.35 C ATOM 707 C PHE A 44 3.502 8.106 -22.335 1.00 4.43 C ATOM 708 O PHE A 44 3.680 9.299 -22.092 1.00 45.20 O ATOM 709 CB PHE A 44 1.383 8.666 -23.540 1.00 13.23 C ATOM 710 CG PHE A 44 0.406 8.338 -24.632 1.00 64.33 C ATOM 711 CD1 PHE A 44 0.822 8.259 -25.952 1.00 44.40 C ATOM 712 CD2 PHE A 44 -0.928 8.105 -24.340 1.00 11.22 C ATOM 713 CE1 PHE A 44 -0.075 7.957 -26.959 1.00 12.14 C ATOM 714 CE2 PHE A 44 -1.830 7.803 -25.343 1.00 42.23 C ATOM 715 CZ PHE A 44 -1.402 7.727 -26.654 1.00 54.42 C ATOM 0 H PHE A 44 1.222 6.302 -22.531 1.00 22.54 H new ATOM 0 HA PHE A 44 3.076 7.638 -24.376 1.00 42.35 H new ATOM 0 HB2 PHE A 44 0.853 8.703 -22.588 1.00 13.23 H new ATOM 0 HB3 PHE A 44 1.791 9.661 -23.716 1.00 13.23 H new ATOM 0 HD1 PHE A 44 1.859 8.436 -26.196 1.00 44.40 H new ATOM 0 HD2 PHE A 44 -1.267 8.160 -23.316 1.00 11.22 H new ATOM 0 HE1 PHE A 44 0.262 7.901 -27.984 1.00 12.14 H new ATOM 0 HE2 PHE A 44 -2.868 7.627 -25.102 1.00 42.23 H new ATOM 0 HZ PHE A 44 -2.104 7.488 -27.439 1.00 54.42 H new ATOM 725 N ALA A 45 4.124 7.133 -21.677 1.00 44.40 N ATOM 726 CA ALA A 45 5.075 7.419 -20.609 1.00 60.30 C ATOM 727 C ALA A 45 4.389 8.109 -19.435 1.00 74.12 C ATOM 728 O ALA A 45 5.035 8.794 -18.642 1.00 72.01 O ATOM 729 CB ALA A 45 6.217 8.275 -21.134 1.00 25.40 C ATOM 0 H ALA A 45 3.987 6.140 -21.865 1.00 44.40 H new ATOM 0 HA ALA A 45 5.481 6.472 -20.253 1.00 60.30 H new ATOM 0 HB1 ALA A 45 6.919 8.481 -20.326 1.00 25.40 H new ATOM 0 HB2 ALA A 45 6.731 7.744 -21.935 1.00 25.40 H new ATOM 0 HB3 ALA A 45 5.820 9.215 -21.518 1.00 25.40 H new ATOM 735 N VAL A 46 3.077 7.926 -19.331 1.00 14.25 N ATOM 736 CA VAL A 46 2.303 8.532 -18.254 1.00 1.13 C ATOM 737 C VAL A 46 1.662 7.467 -17.372 1.00 32.40 C ATOM 738 O VAL A 46 1.019 6.542 -17.866 1.00 24.41 O ATOM 739 CB VAL A 46 1.203 9.458 -18.805 1.00 4.00 C ATOM 740 CG1 VAL A 46 0.381 10.046 -17.668 1.00 31.41 C ATOM 741 CG2 VAL A 46 1.812 10.560 -19.658 1.00 45.23 C ATOM 0 H VAL A 46 2.527 7.363 -19.980 1.00 14.25 H new ATOM 0 HA VAL A 46 2.999 9.123 -17.658 1.00 1.13 H new ATOM 0 HB VAL A 46 0.538 8.868 -19.435 1.00 4.00 H new ATOM 0 HG11 VAL A 46 -0.391 10.698 -18.077 1.00 31.41 H new ATOM 0 HG12 VAL A 46 -0.086 9.240 -17.102 1.00 31.41 H new ATOM 0 HG13 VAL A 46 1.031 10.622 -17.009 1.00 31.41 H new ATOM 0 HG21 VAL A 46 1.020 11.205 -20.039 1.00 45.23 H new ATOM 0 HG22 VAL A 46 2.501 11.150 -19.053 1.00 45.23 H new ATOM 0 HG23 VAL A 46 2.352 10.116 -20.494 1.00 45.23 H new ATOM 751 N ASN A 47 1.840 7.605 -16.062 1.00 22.05 N ATOM 752 CA ASN A 47 1.278 6.653 -15.110 1.00 0.33 C ATOM 753 C ASN A 47 -0.233 6.828 -14.994 1.00 63.13 C ATOM 754 O ASN A 47 -0.759 7.940 -15.032 1.00 72.40 O ATOM 755 CB ASN A 47 1.929 6.830 -13.736 1.00 52.45 C ATOM 756 CG ASN A 47 3.297 6.178 -13.657 1.00 35.43 C ATOM 757 OD1 ASN A 47 3.606 5.265 -14.421 1.00 64.31 O ATOM 758 ND2 ASN A 47 4.122 6.646 -12.727 1.00 50.11 N ATOM 0 H ASN A 47 2.368 8.366 -15.636 1.00 22.05 H new ATOM 0 HA ASN A 47 1.483 5.647 -15.476 1.00 0.33 H new ATOM 0 HB2 ASN A 47 2.023 7.893 -13.515 1.00 52.45 H new ATOM 0 HB3 ASN A 47 1.281 6.402 -12.972 1.00 52.45 H new ATOM 0 HD21 ASN A 47 5.055 6.246 -12.625 1.00 50.11 H new ATOM 0 HD22 ASN A 47 3.823 7.405 -12.115 1.00 50.11 H new ATOM 765 N PRO A 48 -0.949 5.702 -14.850 1.00 52.21 N ATOM 766 CA PRO A 48 -2.409 5.704 -14.725 1.00 61.20 C ATOM 767 C PRO A 48 -2.876 6.289 -13.396 1.00 71.51 C ATOM 768 O PRO A 48 -4.069 6.509 -13.190 1.00 11.12 O ATOM 769 CB PRO A 48 -2.775 4.221 -14.814 1.00 44.14 C ATOM 770 CG PRO A 48 -1.553 3.501 -14.356 1.00 2.10 C ATOM 771 CD PRO A 48 -0.387 4.342 -14.797 1.00 42.12 C ATOM 0 HA PRO A 48 -2.883 6.320 -15.489 1.00 61.20 H new ATOM 0 HB2 PRO A 48 -3.632 3.986 -14.183 1.00 44.14 H new ATOM 0 HB3 PRO A 48 -3.042 3.940 -15.833 1.00 44.14 H new ATOM 0 HG2 PRO A 48 -1.557 3.376 -13.273 1.00 2.10 H new ATOM 0 HG3 PRO A 48 -1.502 2.503 -14.792 1.00 2.10 H new ATOM 0 HD2 PRO A 48 0.444 4.277 -14.094 1.00 42.12 H new ATOM 0 HD3 PRO A 48 -0.008 4.026 -15.769 1.00 42.12 H new ATOM 779 N GLY A 49 -1.928 6.537 -12.497 1.00 75.45 N ATOM 780 CA GLY A 49 -2.264 7.094 -11.201 1.00 11.33 C ATOM 781 C GLY A 49 -2.378 8.605 -11.230 1.00 44.43 C ATOM 782 O GLY A 49 -2.424 9.253 -10.183 1.00 73.23 O ATOM 0 H GLY A 49 -0.934 6.362 -12.644 1.00 75.45 H new ATOM 0 HA2 GLY A 49 -3.208 6.668 -10.860 1.00 11.33 H new ATOM 0 HA3 GLY A 49 -1.503 6.804 -10.476 1.00 11.33 H new ATOM 786 N LEU A 50 -2.421 9.170 -12.431 1.00 54.13 N ATOM 787 CA LEU A 50 -2.528 10.616 -12.594 1.00 50.20 C ATOM 788 C LEU A 50 -3.978 11.033 -12.818 1.00 53.23 C ATOM 789 O LEU A 50 -4.366 12.161 -12.513 1.00 4.54 O ATOM 790 CB LEU A 50 -1.664 11.083 -13.766 1.00 43.24 C ATOM 791 CG LEU A 50 -0.161 10.831 -13.635 1.00 43.10 C ATOM 792 CD1 LEU A 50 0.589 11.453 -14.802 1.00 54.52 C ATOM 793 CD2 LEU A 50 0.357 11.376 -12.313 1.00 2.13 C ATOM 0 H LEU A 50 -2.383 8.649 -13.307 1.00 54.13 H new ATOM 0 HA LEU A 50 -2.171 11.087 -11.678 1.00 50.20 H new ATOM 0 HB2 LEU A 50 -2.017 10.589 -14.671 1.00 43.24 H new ATOM 0 HB3 LEU A 50 -1.822 12.153 -13.904 1.00 43.24 H new ATOM 0 HG LEU A 50 0.011 9.755 -13.653 1.00 43.10 H new ATOM 0 HD11 LEU A 50 1.657 11.263 -14.691 1.00 54.52 H new ATOM 0 HD12 LEU A 50 0.238 11.014 -15.736 1.00 54.52 H new ATOM 0 HD13 LEU A 50 0.411 12.528 -14.817 1.00 54.52 H new ATOM 0 HD21 LEU A 50 1.428 11.188 -12.237 1.00 2.13 H new ATOM 0 HD22 LEU A 50 0.173 12.449 -12.265 1.00 2.13 H new ATOM 0 HD23 LEU A 50 -0.158 10.882 -11.489 1.00 2.13 H new ATOM 805 N LEU A 51 -4.776 10.115 -13.353 1.00 21.01 N ATOM 806 CA LEU A 51 -6.184 10.386 -13.617 1.00 63.44 C ATOM 807 C LEU A 51 -6.957 10.570 -12.315 1.00 23.02 C ATOM 808 O LEU A 51 -7.986 11.244 -12.283 1.00 1.43 O ATOM 809 CB LEU A 51 -6.800 9.246 -14.431 1.00 41.30 C ATOM 810 CG LEU A 51 -6.131 8.943 -15.773 1.00 14.44 C ATOM 811 CD1 LEU A 51 -6.408 7.509 -16.196 1.00 0.04 C ATOM 812 CD2 LEU A 51 -6.611 9.917 -16.840 1.00 1.20 C ATOM 0 H LEU A 51 -4.471 9.177 -13.612 1.00 21.01 H new ATOM 0 HA LEU A 51 -6.248 11.311 -14.191 1.00 63.44 H new ATOM 0 HB2 LEU A 51 -6.779 8.341 -13.825 1.00 41.30 H new ATOM 0 HB3 LEU A 51 -7.848 9.482 -14.615 1.00 41.30 H new ATOM 0 HG LEU A 51 -5.054 9.064 -15.656 1.00 14.44 H new ATOM 0 HD11 LEU A 51 -5.924 7.312 -17.153 1.00 0.04 H new ATOM 0 HD12 LEU A 51 -6.015 6.825 -15.443 1.00 0.04 H new ATOM 0 HD13 LEU A 51 -7.483 7.360 -16.296 1.00 0.04 H new ATOM 0 HD21 LEU A 51 -6.125 9.687 -17.788 1.00 1.20 H new ATOM 0 HD22 LEU A 51 -7.691 9.827 -16.955 1.00 1.20 H new ATOM 0 HD23 LEU A 51 -6.361 10.935 -16.542 1.00 1.20 H new ATOM 824 N GLU A 52 -6.452 9.966 -11.243 1.00 11.40 N ATOM 825 CA GLU A 52 -7.095 10.065 -9.938 1.00 14.32 C ATOM 826 C GLU A 52 -6.826 11.426 -9.300 1.00 60.14 C ATOM 827 O GLU A 52 -7.367 11.747 -8.242 1.00 74.53 O ATOM 828 CB GLU A 52 -6.599 8.951 -9.014 1.00 52.34 C ATOM 829 CG GLU A 52 -5.091 8.944 -8.823 1.00 55.24 C ATOM 830 CD GLU A 52 -4.687 9.001 -7.364 1.00 14.15 C ATOM 831 OE1 GLU A 52 -5.305 8.287 -6.548 1.00 32.23 O1- ATOM 832 OE2 GLU A 52 -3.751 9.762 -7.037 1.00 73.42 O ATOM 0 H GLU A 52 -5.601 9.404 -11.253 1.00 11.40 H new ATOM 0 HA GLU A 52 -8.170 9.956 -10.083 1.00 14.32 H new ATOM 0 HB2 GLU A 52 -7.079 9.057 -8.041 1.00 52.34 H new ATOM 0 HB3 GLU A 52 -6.910 7.988 -9.420 1.00 52.34 H new ATOM 0 HG2 GLU A 52 -4.676 8.044 -9.276 1.00 55.24 H new ATOM 0 HG3 GLU A 52 -4.658 9.795 -9.349 1.00 55.24 H new ATOM 839 N THR A 53 -5.985 12.222 -9.953 1.00 1.05 N ATOM 840 CA THR A 53 -5.642 13.546 -9.451 1.00 52.41 C ATOM 841 C THR A 53 -6.073 14.634 -10.428 1.00 73.52 C ATOM 842 O THR A 53 -5.793 14.554 -11.624 1.00 62.13 O ATOM 843 CB THR A 53 -4.129 13.676 -9.193 1.00 41.24 C ATOM 844 OG1 THR A 53 -3.424 13.752 -10.437 1.00 72.43 O ATOM 845 CG2 THR A 53 -3.615 12.494 -8.385 1.00 4.11 C ATOM 0 H THR A 53 -5.529 11.972 -10.831 1.00 1.05 H new ATOM 0 HA THR A 53 -6.176 13.673 -8.509 1.00 52.41 H new ATOM 0 HB THR A 53 -3.957 14.589 -8.623 1.00 41.24 H new ATOM 0 HG1 THR A 53 -3.833 13.139 -11.083 1.00 72.43 H new ATOM 0 HG21 THR A 53 -2.544 12.607 -8.215 1.00 4.11 H new ATOM 0 HG22 THR A 53 -4.133 12.456 -7.426 1.00 4.11 H new ATOM 0 HG23 THR A 53 -3.799 11.570 -8.934 1.00 4.11 H new ATOM 853 N SER A 54 -6.757 15.650 -9.912 1.00 13.44 N ATOM 854 CA SER A 54 -7.230 16.753 -10.741 1.00 54.02 C ATOM 855 C SER A 54 -6.074 17.393 -11.505 1.00 32.50 C ATOM 856 O SER A 54 -6.271 17.979 -12.569 1.00 2.32 O ATOM 857 CB SER A 54 -7.930 17.804 -9.877 1.00 40.44 C ATOM 858 OG SER A 54 -8.128 17.330 -8.557 1.00 25.45 O ATOM 0 H SER A 54 -6.996 15.732 -8.924 1.00 13.44 H new ATOM 0 HA SER A 54 -7.942 16.354 -11.463 1.00 54.02 H new ATOM 0 HB2 SER A 54 -7.333 18.716 -9.853 1.00 40.44 H new ATOM 0 HB3 SER A 54 -8.891 18.063 -10.322 1.00 40.44 H new ATOM 0 HG SER A 54 -7.299 17.434 -8.044 1.00 25.45 H new ATOM 864 N GLU A 55 -4.871 17.276 -10.953 1.00 20.35 N ATOM 865 CA GLU A 55 -3.685 17.844 -11.581 1.00 44.31 C ATOM 866 C GLU A 55 -3.192 16.954 -12.718 1.00 71.24 C ATOM 867 O GLU A 55 -2.896 17.432 -13.812 1.00 14.33 O ATOM 868 CB GLU A 55 -2.573 18.031 -10.547 1.00 44.12 C ATOM 869 CG GLU A 55 -2.131 19.475 -10.381 1.00 55.42 C ATOM 870 CD GLU A 55 -0.940 19.825 -11.253 1.00 34.11 C ATOM 871 OE1 GLU A 55 0.197 19.475 -10.873 1.00 32.51 O ATOM 872 OE2 GLU A 55 -1.145 20.448 -12.315 1.00 53.02 O1- ATOM 0 H GLU A 55 -4.692 16.793 -10.073 1.00 20.35 H new ATOM 0 HA GLU A 55 -3.955 18.816 -11.994 1.00 44.31 H new ATOM 0 HB2 GLU A 55 -2.917 17.652 -9.584 1.00 44.12 H new ATOM 0 HB3 GLU A 55 -1.713 17.428 -10.838 1.00 44.12 H new ATOM 0 HG2 GLU A 55 -2.962 20.136 -10.626 1.00 55.42 H new ATOM 0 HG3 GLU A 55 -1.877 19.656 -9.336 1.00 55.42 H new ATOM 879 N GLY A 56 -3.107 15.654 -12.451 1.00 1.04 N ATOM 880 CA GLY A 56 -2.649 14.717 -13.460 1.00 32.32 C ATOM 881 C GLY A 56 -3.425 14.838 -14.757 1.00 12.14 C ATOM 882 O GLY A 56 -2.834 14.914 -15.835 1.00 74.53 O ATOM 0 H GLY A 56 -3.347 15.233 -11.553 1.00 1.04 H new ATOM 0 HA2 GLY A 56 -1.590 14.887 -13.656 1.00 32.32 H new ATOM 0 HA3 GLY A 56 -2.743 13.701 -13.077 1.00 32.32 H new ATOM 886 N CYS A 57 -4.749 14.854 -14.653 1.00 53.24 N ATOM 887 CA CYS A 57 -5.606 14.964 -15.828 1.00 75.35 C ATOM 888 C CYS A 57 -5.288 16.230 -16.617 1.00 22.01 C ATOM 889 O CYS A 57 -5.291 16.224 -17.848 1.00 21.34 O ATOM 890 CB CYS A 57 -7.078 14.963 -15.413 1.00 14.45 C ATOM 891 SG CYS A 57 -7.847 13.327 -15.422 1.00 24.14 S ATOM 0 H CYS A 57 -5.252 14.792 -13.768 1.00 53.24 H new ATOM 0 HA CYS A 57 -5.416 14.102 -16.468 1.00 75.35 H new ATOM 0 HB2 CYS A 57 -7.162 15.387 -14.412 1.00 14.45 H new ATOM 0 HB3 CYS A 57 -7.634 15.618 -16.084 1.00 14.45 H new ATOM 0 HG CYS A 57 -9.090 13.430 -15.055 1.00 24.14 H new ATOM 897 N ARG A 58 -5.016 17.315 -15.900 1.00 0.14 N ATOM 898 CA ARG A 58 -4.699 18.590 -16.532 1.00 34.42 C ATOM 899 C ARG A 58 -3.517 18.444 -17.487 1.00 74.42 C ATOM 900 O ARG A 58 -3.598 18.835 -18.651 1.00 62.41 O ATOM 901 CB ARG A 58 -4.383 19.646 -15.471 1.00 64.31 C ATOM 902 CG ARG A 58 -5.297 20.859 -15.528 1.00 14.43 C ATOM 903 CD ARG A 58 -4.671 22.061 -14.838 1.00 0.51 C ATOM 904 NE ARG A 58 -4.280 23.097 -15.791 1.00 3.05 N ATOM 905 CZ ARG A 58 -5.137 23.945 -16.348 1.00 24.45 C ATOM 906 NH1 ARG A 58 -6.427 23.880 -16.048 1.00 53.42 N1+ ATOM 907 NH2 ARG A 58 -4.704 24.860 -17.205 1.00 34.44 N ATOM 0 H ARG A 58 -5.009 17.337 -14.880 1.00 0.14 H new ATOM 0 HA ARG A 58 -5.570 18.909 -17.104 1.00 34.42 H new ATOM 0 HB2 ARG A 58 -4.459 19.191 -14.484 1.00 64.31 H new ATOM 0 HB3 ARG A 58 -3.351 19.974 -15.593 1.00 64.31 H new ATOM 0 HG2 ARG A 58 -5.511 21.106 -16.568 1.00 14.43 H new ATOM 0 HG3 ARG A 58 -6.249 20.621 -15.054 1.00 14.43 H new ATOM 0 HD2 ARG A 58 -5.379 22.477 -14.121 1.00 0.51 H new ATOM 0 HD3 ARG A 58 -3.796 21.740 -14.273 1.00 0.51 H new ATOM 0 HE ARG A 58 -3.294 23.173 -16.042 1.00 3.05 H new ATOM 0 HH11 ARG A 58 -6.762 23.178 -15.388 1.00 53.42 H new ATOM 0 HH12 ARG A 58 -7.084 24.532 -16.477 1.00 53.42 H new ATOM 0 HH21 ARG A 58 -3.712 24.913 -17.437 1.00 34.44 H new ATOM 0 HH22 ARG A 58 -5.363 25.511 -17.632 1.00 34.44 H new ATOM 921 N GLN A 59 -2.424 17.880 -16.985 1.00 0.42 N ATOM 922 CA GLN A 59 -1.227 17.685 -17.793 1.00 44.45 C ATOM 923 C GLN A 59 -1.525 16.807 -19.004 1.00 43.53 C ATOM 924 O GLN A 59 -0.924 16.973 -20.067 1.00 35.14 O ATOM 925 CB GLN A 59 -0.116 17.053 -16.952 1.00 42.04 C ATOM 926 CG GLN A 59 1.284 17.450 -17.395 1.00 15.11 C ATOM 927 CD GLN A 59 2.297 16.342 -17.193 1.00 31.33 C ATOM 928 OE1 GLN A 59 2.794 16.135 -16.085 1.00 64.13 O ATOM 929 NE2 GLN A 59 2.608 15.621 -18.263 1.00 24.44 N ATOM 0 H GLN A 59 -2.343 17.550 -16.023 1.00 0.42 H new ATOM 0 HA GLN A 59 -0.895 18.661 -18.147 1.00 44.45 H new ATOM 0 HB2 GLN A 59 -0.253 17.340 -15.909 1.00 42.04 H new ATOM 0 HB3 GLN A 59 -0.209 15.968 -16.999 1.00 42.04 H new ATOM 0 HG2 GLN A 59 1.262 17.729 -18.448 1.00 15.11 H new ATOM 0 HG3 GLN A 59 1.600 18.332 -16.838 1.00 15.11 H new ATOM 0 HE21 GLN A 59 2.172 15.828 -19.162 1.00 24.44 H new ATOM 0 HE22 GLN A 59 3.283 14.860 -18.187 1.00 24.44 H new ATOM 938 N ILE A 60 -2.455 15.873 -18.838 1.00 15.11 N ATOM 939 CA ILE A 60 -2.833 14.970 -19.918 1.00 13.20 C ATOM 940 C ILE A 60 -3.670 15.691 -20.969 1.00 41.21 C ATOM 941 O ILE A 60 -3.460 15.520 -22.171 1.00 22.51 O ATOM 942 CB ILE A 60 -3.625 13.760 -19.388 1.00 40.24 C ATOM 943 CG1 ILE A 60 -2.798 12.995 -18.354 1.00 22.33 C ATOM 944 CG2 ILE A 60 -4.025 12.846 -20.537 1.00 51.32 C ATOM 945 CD1 ILE A 60 -3.624 12.081 -17.476 1.00 60.34 C ATOM 0 H ILE A 60 -2.961 15.722 -17.965 1.00 15.11 H new ATOM 0 HA ILE A 60 -1.908 14.617 -20.374 1.00 13.20 H new ATOM 0 HB ILE A 60 -4.532 14.121 -18.904 1.00 40.24 H new ATOM 0 HG12 ILE A 60 -2.042 12.404 -18.871 1.00 22.33 H new ATOM 0 HG13 ILE A 60 -2.268 13.709 -17.724 1.00 22.33 H new ATOM 0 HG21 ILE A 60 -4.584 11.995 -20.147 1.00 51.32 H new ATOM 0 HG22 ILE A 60 -4.648 13.398 -21.241 1.00 51.32 H new ATOM 0 HG23 ILE A 60 -3.130 12.489 -21.047 1.00 51.32 H new ATOM 0 HD11 ILE A 60 -2.972 11.571 -16.767 1.00 60.34 H new ATOM 0 HD12 ILE A 60 -4.363 12.669 -16.932 1.00 60.34 H new ATOM 0 HD13 ILE A 60 -4.133 11.343 -18.096 1.00 60.34 H new ATOM 957 N LEU A 61 -4.618 16.501 -20.510 1.00 5.31 N ATOM 958 CA LEU A 61 -5.486 17.251 -21.410 1.00 71.35 C ATOM 959 C LEU A 61 -4.703 18.333 -22.147 1.00 2.52 C ATOM 960 O LEU A 61 -5.003 18.659 -23.294 1.00 50.33 O ATOM 961 CB LEU A 61 -6.641 17.882 -20.630 1.00 65.43 C ATOM 962 CG LEU A 61 -7.666 16.910 -20.046 1.00 24.31 C ATOM 963 CD1 LEU A 61 -8.601 17.632 -19.087 1.00 42.53 C ATOM 964 CD2 LEU A 61 -8.457 16.237 -21.158 1.00 33.41 C ATOM 0 H LEU A 61 -4.805 16.655 -19.519 1.00 5.31 H new ATOM 0 HA LEU A 61 -5.890 16.556 -22.146 1.00 71.35 H new ATOM 0 HB2 LEU A 61 -6.223 18.471 -19.814 1.00 65.43 H new ATOM 0 HB3 LEU A 61 -7.162 18.576 -21.290 1.00 65.43 H new ATOM 0 HG LEU A 61 -7.131 16.140 -19.490 1.00 24.31 H new ATOM 0 HD11 LEU A 61 -9.324 16.924 -18.681 1.00 42.53 H new ATOM 0 HD12 LEU A 61 -8.022 18.066 -18.272 1.00 42.53 H new ATOM 0 HD13 LEU A 61 -9.128 18.423 -19.620 1.00 42.53 H new ATOM 0 HD21 LEU A 61 -9.182 15.549 -20.724 1.00 33.41 H new ATOM 0 HD22 LEU A 61 -8.980 16.994 -21.742 1.00 33.41 H new ATOM 0 HD23 LEU A 61 -7.776 15.685 -21.806 1.00 33.41 H new ATOM 976 N GLY A 62 -3.696 18.886 -21.477 1.00 44.54 N ATOM 977 CA GLY A 62 -2.883 19.924 -22.084 1.00 23.30 C ATOM 978 C GLY A 62 -2.141 19.436 -23.313 1.00 31.03 C ATOM 979 O GLY A 62 -1.943 20.190 -24.265 1.00 72.00 O ATOM 0 H GLY A 62 -3.429 18.634 -20.525 1.00 44.54 H new ATOM 0 HA2 GLY A 62 -3.519 20.766 -22.358 1.00 23.30 H new ATOM 0 HA3 GLY A 62 -2.164 20.293 -21.352 1.00 23.30 H new ATOM 983 N GLN A 63 -1.728 18.173 -23.290 1.00 31.33 N ATOM 984 CA GLN A 63 -1.002 17.587 -24.410 1.00 12.22 C ATOM 985 C GLN A 63 -1.961 17.156 -25.515 1.00 3.11 C ATOM 986 O GLN A 63 -1.606 17.157 -26.694 1.00 74.33 O ATOM 987 CB GLN A 63 -0.176 16.389 -23.938 1.00 70.15 C ATOM 988 CG GLN A 63 1.308 16.689 -23.802 1.00 44.13 C ATOM 989 CD GLN A 63 2.178 15.490 -24.128 1.00 15.52 C ATOM 990 OE1 GLN A 63 2.584 14.744 -23.238 1.00 21.22 O ATOM 991 NE2 GLN A 63 2.468 15.300 -25.410 1.00 1.33 N ATOM 0 H GLN A 63 -1.884 17.536 -22.508 1.00 31.33 H new ATOM 0 HA GLN A 63 -0.331 18.346 -24.813 1.00 12.22 H new ATOM 0 HB2 GLN A 63 -0.559 16.050 -22.975 1.00 70.15 H new ATOM 0 HB3 GLN A 63 -0.309 15.567 -24.641 1.00 70.15 H new ATOM 0 HG2 GLN A 63 1.570 17.514 -24.464 1.00 44.13 H new ATOM 0 HG3 GLN A 63 1.516 17.018 -22.784 1.00 44.13 H new ATOM 0 HE21 GLN A 63 2.109 15.944 -26.115 1.00 1.33 H new ATOM 0 HE22 GLN A 63 3.049 14.510 -25.690 1.00 1.33 H new ATOM 1000 N LEU A 64 -3.176 16.786 -25.126 1.00 43.31 N ATOM 1001 CA LEU A 64 -4.187 16.352 -26.084 1.00 20.11 C ATOM 1002 C LEU A 64 -4.863 17.550 -26.742 1.00 61.25 C ATOM 1003 O LEU A 64 -5.365 17.453 -27.862 1.00 63.44 O ATOM 1004 CB LEU A 64 -5.233 15.478 -25.390 1.00 73.24 C ATOM 1005 CG LEU A 64 -4.747 14.118 -24.888 1.00 71.34 C ATOM 1006 CD1 LEU A 64 -5.894 13.337 -24.268 1.00 23.13 C ATOM 1007 CD2 LEU A 64 -4.113 13.327 -26.023 1.00 41.13 C ATOM 0 H LEU A 64 -3.485 16.778 -24.154 1.00 43.31 H new ATOM 0 HA LEU A 64 -3.691 15.768 -26.859 1.00 20.11 H new ATOM 0 HB2 LEU A 64 -5.636 16.033 -24.543 1.00 73.24 H new ATOM 0 HB3 LEU A 64 -6.057 15.313 -26.084 1.00 73.24 H new ATOM 0 HG LEU A 64 -3.991 14.284 -24.120 1.00 71.34 H new ATOM 0 HD11 LEU A 64 -5.529 12.372 -23.916 1.00 23.13 H new ATOM 0 HD12 LEU A 64 -6.304 13.898 -23.428 1.00 23.13 H new ATOM 0 HD13 LEU A 64 -6.673 13.180 -25.014 1.00 23.13 H new ATOM 0 HD21 LEU A 64 -3.773 12.362 -25.648 1.00 41.13 H new ATOM 0 HD22 LEU A 64 -4.848 13.171 -26.813 1.00 41.13 H new ATOM 0 HD23 LEU A 64 -3.264 13.881 -26.422 1.00 41.13 H new ATOM 1019 N GLN A 65 -4.871 18.678 -26.040 1.00 52.44 N ATOM 1020 CA GLN A 65 -5.484 19.895 -26.558 1.00 52.23 C ATOM 1021 C GLN A 65 -4.956 20.221 -27.952 1.00 33.31 C ATOM 1022 O GLN A 65 -5.701 20.260 -28.931 1.00 55.22 O ATOM 1023 CB GLN A 65 -5.219 21.068 -25.613 1.00 51.43 C ATOM 1024 CG GLN A 65 -6.414 21.434 -24.748 1.00 11.31 C ATOM 1025 CD GLN A 65 -6.095 22.521 -23.741 1.00 11.41 C ATOM 1026 OE1 GLN A 65 -5.962 22.257 -22.546 1.00 11.02 O ATOM 1027 NE2 GLN A 65 -5.968 23.754 -24.220 1.00 23.10 N ATOM 0 H GLN A 65 -4.460 18.775 -25.111 1.00 52.44 H new ATOM 0 HA GLN A 65 -6.559 19.728 -26.626 1.00 52.23 H new ATOM 0 HB2 GLN A 65 -4.376 20.821 -24.968 1.00 51.43 H new ATOM 0 HB3 GLN A 65 -4.926 21.938 -26.201 1.00 51.43 H new ATOM 0 HG2 GLN A 65 -7.232 21.765 -25.387 1.00 11.31 H new ATOM 0 HG3 GLN A 65 -6.761 20.546 -24.220 1.00 11.31 H new ATOM 0 HE21 GLN A 65 -6.086 23.928 -25.218 1.00 23.10 H new ATOM 0 HE22 GLN A 65 -5.752 24.526 -23.590 1.00 23.10 H new ATOM 1036 N PRO A 66 -3.639 20.461 -28.045 1.00 35.42 N ATOM 1037 CA PRO A 66 -2.983 20.787 -29.314 1.00 3.20 C ATOM 1038 C PRO A 66 -2.932 19.596 -30.264 1.00 44.13 C ATOM 1039 O PRO A 66 -2.764 19.759 -31.473 1.00 31.11 O ATOM 1040 CB PRO A 66 -1.569 21.191 -28.888 1.00 42.12 C ATOM 1041 CG PRO A 66 -1.348 20.488 -27.592 1.00 72.14 C ATOM 1042 CD PRO A 66 -2.691 20.431 -26.919 1.00 33.43 C ATOM 0 HA PRO A 66 -3.518 21.564 -29.861 1.00 3.20 H new ATOM 0 HB2 PRO A 66 -0.831 20.891 -29.632 1.00 42.12 H new ATOM 0 HB3 PRO A 66 -1.484 22.271 -28.772 1.00 42.12 H new ATOM 0 HG2 PRO A 66 -0.950 19.486 -27.754 1.00 72.14 H new ATOM 0 HG3 PRO A 66 -0.625 21.023 -26.976 1.00 72.14 H new ATOM 0 HD2 PRO A 66 -2.804 19.525 -26.323 1.00 33.43 H new ATOM 0 HD3 PRO A 66 -2.839 21.276 -26.246 1.00 33.43 H new ATOM 1050 N SER A 67 -3.079 18.396 -29.710 1.00 74.53 N ATOM 1051 CA SER A 67 -3.047 17.176 -30.509 1.00 32.21 C ATOM 1052 C SER A 67 -4.381 16.954 -31.217 1.00 14.43 C ATOM 1053 O SER A 67 -4.438 16.333 -32.278 1.00 2.20 O ATOM 1054 CB SER A 67 -2.721 15.971 -29.624 1.00 2.40 C ATOM 1055 OG SER A 67 -1.426 16.090 -29.059 1.00 21.40 O ATOM 0 H SER A 67 -3.221 18.243 -28.712 1.00 74.53 H new ATOM 0 HA SER A 67 -2.269 17.286 -31.264 1.00 32.21 H new ATOM 0 HB2 SER A 67 -3.462 15.888 -28.829 1.00 2.40 H new ATOM 0 HB3 SER A 67 -2.782 15.056 -30.213 1.00 2.40 H new ATOM 0 HG SER A 67 -1.427 16.803 -28.386 1.00 21.40 H new ATOM 1061 N LEU A 68 -5.451 17.469 -30.621 1.00 61.21 N ATOM 1062 CA LEU A 68 -6.785 17.329 -31.194 1.00 20.43 C ATOM 1063 C LEU A 68 -6.805 17.784 -32.649 1.00 1.10 C ATOM 1064 O LEU A 68 -7.584 17.280 -33.457 1.00 31.22 O ATOM 1065 CB LEU A 68 -7.798 18.138 -30.381 1.00 11.20 C ATOM 1066 CG LEU A 68 -8.252 17.514 -29.062 1.00 23.43 C ATOM 1067 CD1 LEU A 68 -8.565 18.595 -28.039 1.00 31.01 C ATOM 1068 CD2 LEU A 68 -9.464 16.620 -29.283 1.00 11.23 C ATOM 0 H LEU A 68 -5.421 17.986 -29.743 1.00 61.21 H new ATOM 0 HA LEU A 68 -7.059 16.274 -31.159 1.00 20.43 H new ATOM 0 HB2 LEU A 68 -7.365 19.115 -30.167 1.00 11.20 H new ATOM 0 HB3 LEU A 68 -8.678 18.308 -31.001 1.00 11.20 H new ATOM 0 HG LEU A 68 -7.439 16.900 -28.675 1.00 23.43 H new ATOM 0 HD11 LEU A 68 -8.887 18.131 -27.106 1.00 31.01 H new ATOM 0 HD12 LEU A 68 -7.672 19.194 -27.858 1.00 31.01 H new ATOM 0 HD13 LEU A 68 -9.361 19.236 -28.419 1.00 31.01 H new ATOM 0 HD21 LEU A 68 -9.773 16.184 -28.333 1.00 11.23 H new ATOM 0 HD22 LEU A 68 -10.282 17.211 -29.694 1.00 11.23 H new ATOM 0 HD23 LEU A 68 -9.206 15.823 -29.981 1.00 11.23 H new ATOM 1080 N GLN A 69 -5.940 18.739 -32.977 1.00 45.42 N ATOM 1081 CA GLN A 69 -5.857 19.260 -34.336 1.00 44.20 C ATOM 1082 C GLN A 69 -5.579 18.139 -35.333 1.00 15.20 C ATOM 1083 O GLN A 69 -6.265 18.013 -36.348 1.00 1.22 O ATOM 1084 CB GLN A 69 -4.763 20.325 -34.430 1.00 61.14 C ATOM 1085 CG GLN A 69 -4.593 20.901 -35.827 1.00 2.22 C ATOM 1086 CD GLN A 69 -3.801 22.194 -35.833 1.00 64.12 C ATOM 1087 OE1 GLN A 69 -4.356 23.274 -36.031 1.00 42.41 O ATOM 1088 NE2 GLN A 69 -2.494 22.088 -35.614 1.00 74.42 N ATOM 0 H GLN A 69 -5.287 19.167 -32.320 1.00 45.42 H new ATOM 0 HA GLN A 69 -6.817 19.712 -34.584 1.00 44.20 H new ATOM 0 HB2 GLN A 69 -4.995 21.135 -33.738 1.00 61.14 H new ATOM 0 HB3 GLN A 69 -3.817 19.891 -34.107 1.00 61.14 H new ATOM 0 HG2 GLN A 69 -4.091 20.169 -36.459 1.00 2.22 H new ATOM 0 HG3 GLN A 69 -5.575 21.079 -36.264 1.00 2.22 H new ATOM 0 HE21 GLN A 69 -2.076 21.171 -35.454 1.00 74.42 H new ATOM 0 HE22 GLN A 69 -1.909 22.923 -35.606 1.00 74.42 H new ATOM 1097 N THR A 70 -4.568 17.328 -35.037 1.00 74.35 N ATOM 1098 CA THR A 70 -4.199 16.219 -35.908 1.00 33.20 C ATOM 1099 C THR A 70 -4.229 14.895 -35.154 1.00 64.45 C ATOM 1100 O THR A 70 -3.329 14.067 -35.297 1.00 32.05 O ATOM 1101 CB THR A 70 -2.796 16.422 -36.511 1.00 51.22 C ATOM 1102 OG1 THR A 70 -2.539 17.819 -36.695 1.00 22.12 O ATOM 1103 CG2 THR A 70 -2.669 15.698 -37.842 1.00 71.34 C ATOM 0 H THR A 70 -3.990 17.418 -34.201 1.00 74.35 H new ATOM 0 HA THR A 70 -4.932 16.192 -36.714 1.00 33.20 H new ATOM 0 HB THR A 70 -2.064 16.007 -35.819 1.00 51.22 H new ATOM 0 HG1 THR A 70 -1.645 17.940 -37.077 1.00 22.12 H new ATOM 0 HG21 THR A 70 -1.670 15.856 -38.248 1.00 71.34 H new ATOM 0 HG22 THR A 70 -2.836 14.631 -37.693 1.00 71.34 H new ATOM 0 HG23 THR A 70 -3.410 16.087 -38.540 1.00 71.34 H new ATOM 1111 N GLY A 71 -5.271 14.699 -34.352 1.00 21.44 N ATOM 1112 CA GLY A 71 -5.399 13.472 -33.588 1.00 61.32 C ATOM 1113 C GLY A 71 -6.210 12.418 -34.315 1.00 74.42 C ATOM 1114 O GLY A 71 -6.800 12.690 -35.361 1.00 12.15 O ATOM 0 H GLY A 71 -6.029 15.368 -34.218 1.00 21.44 H new ATOM 0 HA2 GLY A 71 -4.406 13.077 -33.372 1.00 61.32 H new ATOM 0 HA3 GLY A 71 -5.870 13.692 -32.630 1.00 61.32 H new ATOM 1118 N SER A 72 -6.241 11.210 -33.761 1.00 51.44 N ATOM 1119 CA SER A 72 -6.982 10.110 -34.368 1.00 3.30 C ATOM 1120 C SER A 72 -8.082 9.616 -33.434 1.00 23.21 C ATOM 1121 O SER A 72 -8.348 10.223 -32.396 1.00 71.22 O ATOM 1122 CB SER A 72 -6.034 8.958 -34.712 1.00 33.40 C ATOM 1123 OG SER A 72 -5.798 8.136 -33.582 1.00 52.32 O ATOM 0 H SER A 72 -5.762 10.968 -32.894 1.00 51.44 H new ATOM 0 HA SER A 72 -7.445 10.477 -35.284 1.00 3.30 H new ATOM 0 HB2 SER A 72 -6.461 8.360 -35.518 1.00 33.40 H new ATOM 0 HB3 SER A 72 -5.089 9.358 -35.078 1.00 33.40 H new ATOM 0 HG SER A 72 -5.191 7.407 -33.829 1.00 52.32 H new ATOM 1129 N GLU A 73 -8.718 8.511 -33.810 1.00 2.15 N ATOM 1130 CA GLU A 73 -9.790 7.936 -33.006 1.00 72.00 C ATOM 1131 C GLU A 73 -9.312 7.649 -31.586 1.00 14.35 C ATOM 1132 O GLU A 73 -10.031 7.894 -30.617 1.00 70.31 O ATOM 1133 CB GLU A 73 -10.306 6.648 -33.651 1.00 71.53 C ATOM 1134 CG GLU A 73 -11.753 6.733 -34.106 1.00 52.12 C ATOM 1135 CD GLU A 73 -11.914 6.468 -35.592 1.00 4.24 C ATOM 1136 OE1 GLU A 73 -11.652 7.390 -36.391 1.00 11.12 O1- ATOM 1137 OE2 GLU A 73 -12.300 5.337 -35.952 1.00 74.52 O ATOM 0 H GLU A 73 -8.510 7.996 -34.666 1.00 2.15 H new ATOM 0 HA GLU A 73 -10.602 8.662 -32.958 1.00 72.00 H new ATOM 0 HB2 GLU A 73 -9.678 6.404 -34.508 1.00 71.53 H new ATOM 0 HB3 GLU A 73 -10.205 5.829 -32.939 1.00 71.53 H new ATOM 0 HG2 GLU A 73 -12.349 6.013 -33.546 1.00 52.12 H new ATOM 0 HG3 GLU A 73 -12.146 7.723 -33.872 1.00 52.12 H new ATOM 1144 N GLU A 74 -8.093 7.131 -31.471 1.00 4.24 N ATOM 1145 CA GLU A 74 -7.520 6.811 -30.169 1.00 4.20 C ATOM 1146 C GLU A 74 -7.445 8.053 -29.286 1.00 33.11 C ATOM 1147 O GLU A 74 -7.977 8.073 -28.175 1.00 4.12 O ATOM 1148 CB GLU A 74 -6.123 6.206 -30.336 1.00 74.41 C ATOM 1149 CG GLU A 74 -6.064 4.719 -30.030 1.00 60.54 C ATOM 1150 CD GLU A 74 -4.842 4.049 -30.629 1.00 72.44 C ATOM 1151 OE1 GLU A 74 -4.086 4.731 -31.352 1.00 64.23 O1- ATOM 1152 OE2 GLU A 74 -4.644 2.842 -30.375 1.00 51.14 O ATOM 0 H GLU A 74 -7.484 6.924 -32.263 1.00 4.24 H new ATOM 0 HA GLU A 74 -8.169 6.081 -29.685 1.00 4.20 H new ATOM 0 HB2 GLU A 74 -5.784 6.372 -31.359 1.00 74.41 H new ATOM 0 HB3 GLU A 74 -5.428 6.731 -29.681 1.00 74.41 H new ATOM 0 HG2 GLU A 74 -6.061 4.574 -28.950 1.00 60.54 H new ATOM 0 HG3 GLU A 74 -6.963 4.237 -30.414 1.00 60.54 H new ATOM 1159 N LEU A 75 -6.782 9.089 -29.788 1.00 23.11 N ATOM 1160 CA LEU A 75 -6.636 10.336 -29.046 1.00 11.51 C ATOM 1161 C LEU A 75 -7.999 10.909 -28.670 1.00 2.23 C ATOM 1162 O LEU A 75 -8.192 11.399 -27.558 1.00 2.24 O ATOM 1163 CB LEU A 75 -5.853 11.357 -29.875 1.00 22.33 C ATOM 1164 CG LEU A 75 -5.246 12.527 -29.100 1.00 11.30 C ATOM 1165 CD1 LEU A 75 -3.733 12.537 -29.247 1.00 43.33 C ATOM 1166 CD2 LEU A 75 -5.838 13.846 -29.574 1.00 62.11 C ATOM 0 H LEU A 75 -6.337 9.090 -30.706 1.00 23.11 H new ATOM 0 HA LEU A 75 -6.086 10.122 -28.129 1.00 11.51 H new ATOM 0 HB2 LEU A 75 -5.049 10.834 -30.393 1.00 22.33 H new ATOM 0 HB3 LEU A 75 -6.517 11.759 -30.640 1.00 22.33 H new ATOM 0 HG LEU A 75 -5.487 12.402 -28.044 1.00 11.30 H new ATOM 0 HD11 LEU A 75 -3.319 13.377 -28.689 1.00 43.33 H new ATOM 0 HD12 LEU A 75 -3.323 11.605 -28.858 1.00 43.33 H new ATOM 0 HD13 LEU A 75 -3.470 12.637 -30.300 1.00 43.33 H new ATOM 0 HD21 LEU A 75 -5.394 14.667 -29.011 1.00 62.11 H new ATOM 0 HD22 LEU A 75 -5.628 13.978 -30.635 1.00 62.11 H new ATOM 0 HD23 LEU A 75 -6.916 13.839 -29.415 1.00 62.11 H new ATOM 1178 N ARG A 76 -8.943 10.840 -29.604 1.00 5.33 N ATOM 1179 CA ARG A 76 -10.288 11.351 -29.370 1.00 25.15 C ATOM 1180 C ARG A 76 -10.909 10.699 -28.137 1.00 62.05 C ATOM 1181 O ARG A 76 -11.417 11.385 -27.251 1.00 21.34 O ATOM 1182 CB ARG A 76 -11.171 11.099 -30.593 1.00 50.04 C ATOM 1183 CG ARG A 76 -11.040 12.166 -31.669 1.00 24.51 C ATOM 1184 CD ARG A 76 -11.718 11.738 -32.961 1.00 11.32 C ATOM 1185 NE ARG A 76 -13.145 12.047 -32.959 1.00 72.15 N ATOM 1186 CZ ARG A 76 -13.891 12.078 -34.057 1.00 74.54 C ATOM 1187 NH1 ARG A 76 -13.349 11.818 -35.239 1.00 73.10 N1+ ATOM 1188 NH2 ARG A 76 -15.184 12.367 -33.974 1.00 61.52 N ATOM 0 H ARG A 76 -8.801 10.435 -30.529 1.00 5.33 H new ATOM 0 HA ARG A 76 -10.218 12.425 -29.196 1.00 25.15 H new ATOM 0 HB2 ARG A 76 -10.916 10.130 -31.021 1.00 50.04 H new ATOM 0 HB3 ARG A 76 -12.212 11.043 -30.274 1.00 50.04 H new ATOM 0 HG2 ARG A 76 -11.482 13.097 -31.316 1.00 24.51 H new ATOM 0 HG3 ARG A 76 -9.985 12.366 -31.859 1.00 24.51 H new ATOM 0 HD2 ARG A 76 -11.240 12.238 -33.804 1.00 11.32 H new ATOM 0 HD3 ARG A 76 -11.579 10.667 -33.105 1.00 11.32 H new ATOM 0 HE ARG A 76 -13.593 12.250 -32.066 1.00 72.15 H new ATOM 0 HH11 ARG A 76 -12.356 11.593 -35.307 1.00 73.10 H new ATOM 0 HH12 ARG A 76 -13.925 11.843 -36.081 1.00 73.10 H new ATOM 0 HH21 ARG A 76 -15.605 12.565 -33.066 1.00 61.52 H new ATOM 0 HH22 ARG A 76 -15.756 12.391 -34.818 1.00 61.52 H new ATOM 1202 N SER A 77 -10.865 9.371 -28.091 1.00 4.52 N ATOM 1203 CA SER A 77 -11.427 8.628 -26.970 1.00 24.33 C ATOM 1204 C SER A 77 -10.817 9.089 -25.650 1.00 10.54 C ATOM 1205 O SER A 77 -11.517 9.243 -24.648 1.00 45.13 O ATOM 1206 CB SER A 77 -11.190 7.127 -27.156 1.00 32.25 C ATOM 1207 OG SER A 77 -12.180 6.556 -27.994 1.00 33.42 O ATOM 0 H SER A 77 -10.446 8.789 -28.816 1.00 4.52 H new ATOM 0 HA SER A 77 -12.500 8.820 -26.941 1.00 24.33 H new ATOM 0 HB2 SER A 77 -10.203 6.962 -27.589 1.00 32.25 H new ATOM 0 HB3 SER A 77 -11.200 6.631 -26.186 1.00 32.25 H new ATOM 0 HG SER A 77 -12.006 5.597 -28.099 1.00 33.42 H new ATOM 1213 N LEU A 78 -9.507 9.310 -25.656 1.00 65.10 N ATOM 1214 CA LEU A 78 -8.800 9.755 -24.460 1.00 43.15 C ATOM 1215 C LEU A 78 -9.348 11.090 -23.969 1.00 51.10 C ATOM 1216 O LEU A 78 -9.795 11.208 -22.828 1.00 51.04 O ATOM 1217 CB LEU A 78 -7.302 9.879 -24.746 1.00 5.04 C ATOM 1218 CG LEU A 78 -6.419 8.756 -24.198 1.00 41.15 C ATOM 1219 CD1 LEU A 78 -6.580 8.637 -22.691 1.00 74.22 C ATOM 1220 CD2 LEU A 78 -6.752 7.436 -24.878 1.00 15.22 C ATOM 0 H LEU A 78 -8.913 9.188 -26.476 1.00 65.10 H new ATOM 0 HA LEU A 78 -8.954 9.011 -23.678 1.00 43.15 H new ATOM 0 HB2 LEU A 78 -7.162 9.931 -25.826 1.00 5.04 H new ATOM 0 HB3 LEU A 78 -6.951 10.825 -24.333 1.00 5.04 H new ATOM 0 HG LEU A 78 -5.379 9.000 -24.413 1.00 41.15 H new ATOM 0 HD11 LEU A 78 -5.944 7.833 -22.320 1.00 74.22 H new ATOM 0 HD12 LEU A 78 -6.291 9.576 -22.219 1.00 74.22 H new ATOM 0 HD13 LEU A 78 -7.620 8.416 -22.453 1.00 74.22 H new ATOM 0 HD21 LEU A 78 -6.114 6.649 -24.476 1.00 15.22 H new ATOM 0 HD22 LEU A 78 -7.797 7.186 -24.695 1.00 15.22 H new ATOM 0 HD23 LEU A 78 -6.583 7.527 -25.951 1.00 15.22 H new ATOM 1232 N TYR A 79 -9.311 12.095 -24.838 1.00 5.21 N ATOM 1233 CA TYR A 79 -9.804 13.423 -24.493 1.00 61.32 C ATOM 1234 C TYR A 79 -11.237 13.354 -23.975 1.00 31.33 C ATOM 1235 O TYR A 79 -11.660 14.189 -23.176 1.00 25.13 O ATOM 1236 CB TYR A 79 -9.733 14.347 -25.709 1.00 10.44 C ATOM 1237 CG TYR A 79 -9.658 15.814 -25.350 1.00 1.30 C ATOM 1238 CD1 TYR A 79 -8.524 16.345 -24.747 1.00 74.12 C ATOM 1239 CD2 TYR A 79 -10.721 16.670 -25.613 1.00 63.45 C ATOM 1240 CE1 TYR A 79 -8.451 17.685 -24.418 1.00 23.41 C ATOM 1241 CE2 TYR A 79 -10.656 18.011 -25.288 1.00 23.43 C ATOM 1242 CZ TYR A 79 -9.520 18.513 -24.690 1.00 4.40 C ATOM 1243 OH TYR A 79 -9.451 19.848 -24.364 1.00 21.33 O ATOM 0 H TYR A 79 -8.945 12.015 -25.787 1.00 5.21 H new ATOM 0 HA TYR A 79 -9.170 13.825 -23.702 1.00 61.32 H new ATOM 0 HB2 TYR A 79 -8.860 14.082 -26.306 1.00 10.44 H new ATOM 0 HB3 TYR A 79 -10.610 14.179 -26.335 1.00 10.44 H new ATOM 0 HD1 TYR A 79 -7.685 15.699 -24.532 1.00 74.12 H new ATOM 0 HD2 TYR A 79 -11.613 16.280 -26.080 1.00 63.45 H new ATOM 0 HE1 TYR A 79 -7.562 18.082 -23.951 1.00 23.41 H new ATOM 0 HE2 TYR A 79 -11.491 18.662 -25.501 1.00 23.43 H new ATOM 0 HH TYR A 79 -10.286 20.292 -24.623 1.00 21.33 H new ATOM 1253 N ASN A 80 -11.979 12.353 -24.435 1.00 61.05 N ATOM 1254 CA ASN A 80 -13.365 12.174 -24.019 1.00 74.44 C ATOM 1255 C ASN A 80 -13.440 11.693 -22.574 1.00 33.35 C ATOM 1256 O ASN A 80 -14.053 12.340 -21.722 1.00 63.24 O ATOM 1257 CB ASN A 80 -14.071 11.174 -24.939 1.00 2.23 C ATOM 1258 CG ASN A 80 -15.118 11.834 -25.814 1.00 11.25 C ATOM 1259 OD1 ASN A 80 -14.994 13.004 -26.176 1.00 2.31 O ATOM 1260 ND2 ASN A 80 -16.159 11.084 -26.158 1.00 43.12 N ATOM 0 H ASN A 80 -11.644 11.653 -25.096 1.00 61.05 H new ATOM 0 HA ASN A 80 -13.867 13.139 -24.089 1.00 74.44 H new ATOM 0 HB2 ASN A 80 -13.332 10.681 -25.570 1.00 2.23 H new ATOM 0 HB3 ASN A 80 -14.542 10.399 -24.335 1.00 2.23 H new ATOM 0 HD21 ASN A 80 -16.896 11.474 -26.745 1.00 43.12 H new ATOM 0 HD22 ASN A 80 -16.221 10.118 -25.835 1.00 43.12 H new ATOM 1267 N THR A 81 -12.814 10.552 -22.301 1.00 53.41 N ATOM 1268 CA THR A 81 -12.810 9.984 -20.959 1.00 61.42 C ATOM 1269 C THR A 81 -12.131 10.920 -19.967 1.00 0.43 C ATOM 1270 O THR A 81 -12.700 11.259 -18.929 1.00 3.34 O ATOM 1271 CB THR A 81 -12.098 8.619 -20.929 1.00 22.33 C ATOM 1272 OG1 THR A 81 -12.671 7.745 -21.909 1.00 50.22 O ATOM 1273 CG2 THR A 81 -12.205 7.982 -19.551 1.00 15.11 C ATOM 0 H THR A 81 -12.303 10.003 -22.992 1.00 53.41 H new ATOM 0 HA THR A 81 -13.852 9.849 -20.671 1.00 61.42 H new ATOM 0 HB THR A 81 -11.044 8.780 -21.157 1.00 22.33 H new ATOM 0 HG1 THR A 81 -12.211 6.880 -21.884 1.00 50.22 H new ATOM 0 HG21 THR A 81 -11.695 7.019 -19.555 1.00 15.11 H new ATOM 0 HG22 THR A 81 -11.742 8.635 -18.811 1.00 15.11 H new ATOM 0 HG23 THR A 81 -13.255 7.835 -19.299 1.00 15.11 H new ATOM 1281 N ILE A 82 -10.912 11.337 -20.293 1.00 41.32 N ATOM 1282 CA ILE A 82 -10.156 12.236 -19.430 1.00 31.10 C ATOM 1283 C ILE A 82 -10.970 13.478 -19.084 1.00 12.12 C ATOM 1284 O ILE A 82 -10.863 14.015 -17.982 1.00 14.42 O ATOM 1285 CB ILE A 82 -8.834 12.671 -20.090 1.00 64.23 C ATOM 1286 CG1 ILE A 82 -7.978 11.446 -20.422 1.00 12.10 C ATOM 1287 CG2 ILE A 82 -8.075 13.624 -19.179 1.00 64.02 C ATOM 1288 CD1 ILE A 82 -6.893 11.725 -21.437 1.00 45.54 C ATOM 0 H ILE A 82 -10.427 11.067 -21.149 1.00 41.32 H new ATOM 0 HA ILE A 82 -9.933 11.684 -18.517 1.00 31.10 H new ATOM 0 HB ILE A 82 -9.063 13.194 -21.019 1.00 64.23 H new ATOM 0 HG12 ILE A 82 -7.520 11.074 -19.506 1.00 12.10 H new ATOM 0 HG13 ILE A 82 -8.624 10.653 -20.801 1.00 12.10 H new ATOM 0 HG21 ILE A 82 -7.143 13.922 -19.660 1.00 64.02 H new ATOM 0 HG22 ILE A 82 -8.684 14.508 -18.988 1.00 64.02 H new ATOM 0 HG23 ILE A 82 -7.853 13.126 -18.235 1.00 64.02 H new ATOM 0 HD11 ILE A 82 -6.326 10.813 -21.624 1.00 45.54 H new ATOM 0 HD12 ILE A 82 -7.345 12.069 -22.368 1.00 45.54 H new ATOM 0 HD13 ILE A 82 -6.224 12.495 -21.052 1.00 45.54 H new ATOM 1300 N ALA A 83 -11.785 13.929 -20.031 1.00 72.44 N ATOM 1301 CA ALA A 83 -12.621 15.104 -19.826 1.00 14.24 C ATOM 1302 C ALA A 83 -13.651 14.860 -18.727 1.00 55.45 C ATOM 1303 O ALA A 83 -13.663 15.552 -17.709 1.00 52.32 O ATOM 1304 CB ALA A 83 -13.312 15.496 -21.124 1.00 20.13 C ATOM 0 H ALA A 83 -11.884 13.497 -20.950 1.00 72.44 H new ATOM 0 HA ALA A 83 -11.978 15.925 -19.509 1.00 14.24 H new ATOM 0 HB1 ALA A 83 -13.933 16.376 -20.954 1.00 20.13 H new ATOM 0 HB2 ALA A 83 -12.562 15.722 -21.882 1.00 20.13 H new ATOM 0 HB3 ALA A 83 -13.937 14.671 -21.467 1.00 20.13 H new ATOM 1310 N VAL A 84 -14.516 13.874 -18.943 1.00 4.15 N ATOM 1311 CA VAL A 84 -15.550 13.539 -17.971 1.00 51.10 C ATOM 1312 C VAL A 84 -14.949 13.287 -16.593 1.00 4.51 C ATOM 1313 O VAL A 84 -15.533 13.650 -15.573 1.00 34.44 O ATOM 1314 CB VAL A 84 -16.347 12.295 -18.407 1.00 42.31 C ATOM 1315 CG1 VAL A 84 -17.446 11.986 -17.403 1.00 24.22 C ATOM 1316 CG2 VAL A 84 -16.927 12.495 -19.800 1.00 3.34 C ATOM 0 H VAL A 84 -14.521 13.294 -19.782 1.00 4.15 H new ATOM 0 HA VAL A 84 -16.224 14.394 -17.918 1.00 51.10 H new ATOM 0 HB VAL A 84 -15.668 11.443 -18.440 1.00 42.31 H new ATOM 0 HG11 VAL A 84 -17.998 11.104 -17.728 1.00 24.22 H new ATOM 0 HG12 VAL A 84 -17.003 11.797 -16.425 1.00 24.22 H new ATOM 0 HG13 VAL A 84 -18.126 12.835 -17.335 1.00 24.22 H new ATOM 0 HG21 VAL A 84 -17.487 11.607 -20.092 1.00 3.34 H new ATOM 0 HG22 VAL A 84 -17.592 13.358 -19.797 1.00 3.34 H new ATOM 0 HG23 VAL A 84 -16.118 12.664 -20.510 1.00 3.34 H new ATOM 1326 N LEU A 85 -13.776 12.663 -16.571 1.00 40.22 N ATOM 1327 CA LEU A 85 -13.093 12.362 -15.317 1.00 55.34 C ATOM 1328 C LEU A 85 -12.567 13.636 -14.664 1.00 71.52 C ATOM 1329 O LEU A 85 -12.860 13.916 -13.501 1.00 43.41 O ATOM 1330 CB LEU A 85 -11.940 11.387 -15.562 1.00 53.24 C ATOM 1331 CG LEU A 85 -11.667 10.377 -14.448 1.00 2.30 C ATOM 1332 CD1 LEU A 85 -12.019 8.970 -14.905 1.00 71.30 C ATOM 1333 CD2 LEU A 85 -10.211 10.448 -14.009 1.00 34.21 C ATOM 0 H LEU A 85 -13.278 12.356 -17.407 1.00 40.22 H new ATOM 0 HA LEU A 85 -13.813 11.900 -14.642 1.00 55.34 H new ATOM 0 HB2 LEU A 85 -12.144 10.838 -16.481 1.00 53.24 H new ATOM 0 HB3 LEU A 85 -11.032 11.965 -15.731 1.00 53.24 H new ATOM 0 HG LEU A 85 -12.296 10.628 -13.594 1.00 2.30 H new ATOM 0 HD11 LEU A 85 -11.818 8.265 -14.099 1.00 71.30 H new ATOM 0 HD12 LEU A 85 -13.075 8.927 -15.170 1.00 71.30 H new ATOM 0 HD13 LEU A 85 -11.416 8.708 -15.775 1.00 71.30 H new ATOM 0 HD21 LEU A 85 -10.034 9.722 -13.215 1.00 34.21 H new ATOM 0 HD22 LEU A 85 -9.564 10.223 -14.857 1.00 34.21 H new ATOM 0 HD23 LEU A 85 -9.991 11.450 -13.640 1.00 34.21 H new ATOM 1345 N TYR A 86 -11.792 14.405 -15.420 1.00 51.41 N ATOM 1346 CA TYR A 86 -11.225 15.650 -14.916 1.00 21.33 C ATOM 1347 C TYR A 86 -12.309 16.539 -14.315 1.00 34.32 C ATOM 1348 O TYR A 86 -12.157 17.063 -13.210 1.00 50.21 O ATOM 1349 CB TYR A 86 -10.501 16.397 -16.037 1.00 41.12 C ATOM 1350 CG TYR A 86 -10.051 17.787 -15.646 1.00 51.14 C ATOM 1351 CD1 TYR A 86 -8.885 17.982 -14.917 1.00 2.15 C ATOM 1352 CD2 TYR A 86 -10.792 18.905 -16.009 1.00 23.05 C ATOM 1353 CE1 TYR A 86 -8.471 19.250 -14.557 1.00 44.11 C ATOM 1354 CE2 TYR A 86 -10.384 20.177 -15.655 1.00 33.12 C ATOM 1355 CZ TYR A 86 -9.223 20.344 -14.928 1.00 72.13 C ATOM 1356 OH TYR A 86 -8.813 21.609 -14.574 1.00 3.21 O ATOM 0 H TYR A 86 -11.542 14.188 -16.385 1.00 51.41 H new ATOM 0 HA TYR A 86 -10.509 15.401 -14.133 1.00 21.33 H new ATOM 0 HB2 TYR A 86 -9.632 15.817 -16.347 1.00 41.12 H new ATOM 0 HB3 TYR A 86 -11.162 16.468 -16.901 1.00 41.12 H new ATOM 0 HD1 TYR A 86 -8.292 17.128 -14.627 1.00 2.15 H new ATOM 0 HD2 TYR A 86 -11.702 18.778 -16.577 1.00 23.05 H new ATOM 0 HE1 TYR A 86 -7.563 19.383 -13.988 1.00 44.11 H new ATOM 0 HE2 TYR A 86 -10.971 21.036 -15.946 1.00 33.12 H new ATOM 0 HH TYR A 86 -9.454 22.268 -14.914 1.00 3.21 H new ATOM 1366 N CYS A 87 -13.404 16.702 -15.049 1.00 15.15 N ATOM 1367 CA CYS A 87 -14.516 17.528 -14.590 1.00 75.13 C ATOM 1368 C CYS A 87 -14.957 17.116 -13.189 1.00 55.15 C ATOM 1369 O CYS A 87 -15.211 17.964 -12.333 1.00 61.14 O ATOM 1370 CB CYS A 87 -15.693 17.420 -15.561 1.00 20.35 C ATOM 1371 SG CYS A 87 -15.740 18.725 -16.812 1.00 30.34 S ATOM 0 H CYS A 87 -13.546 16.274 -15.964 1.00 15.15 H new ATOM 0 HA CYS A 87 -14.177 18.563 -14.555 1.00 75.13 H new ATOM 0 HB2 CYS A 87 -15.649 16.453 -16.062 1.00 20.35 H new ATOM 0 HB3 CYS A 87 -16.623 17.443 -14.992 1.00 20.35 H new ATOM 0 HG CYS A 87 -16.974 18.958 -17.150 1.00 30.34 H new ATOM 1377 N VAL A 88 -15.046 15.810 -12.963 1.00 21.55 N ATOM 1378 CA VAL A 88 -15.457 15.285 -11.666 1.00 61.04 C ATOM 1379 C VAL A 88 -14.561 15.811 -10.551 1.00 11.31 C ATOM 1380 O VAL A 88 -15.044 16.248 -9.506 1.00 14.41 O ATOM 1381 CB VAL A 88 -15.428 13.745 -11.648 1.00 72.15 C ATOM 1382 CG1 VAL A 88 -15.916 13.216 -10.309 1.00 72.21 C ATOM 1383 CG2 VAL A 88 -16.264 13.184 -12.789 1.00 63.40 C ATOM 0 H VAL A 88 -14.839 15.095 -13.661 1.00 21.55 H new ATOM 0 HA VAL A 88 -16.479 15.624 -11.498 1.00 61.04 H new ATOM 0 HB VAL A 88 -14.398 13.417 -11.786 1.00 72.15 H new ATOM 0 HG11 VAL A 88 -15.888 12.126 -10.316 1.00 72.21 H new ATOM 0 HG12 VAL A 88 -15.272 13.590 -9.513 1.00 72.21 H new ATOM 0 HG13 VAL A 88 -16.939 13.552 -10.136 1.00 72.21 H new ATOM 0 HG21 VAL A 88 -16.233 12.095 -12.762 1.00 63.40 H new ATOM 0 HG22 VAL A 88 -17.296 13.520 -12.684 1.00 63.40 H new ATOM 0 HG23 VAL A 88 -15.863 13.535 -13.740 1.00 63.40 H new ATOM 1393 N HIS A 89 -13.252 15.768 -10.781 1.00 60.42 N ATOM 1394 CA HIS A 89 -12.286 16.242 -9.795 1.00 54.34 C ATOM 1395 C HIS A 89 -12.343 17.762 -9.669 1.00 22.12 C ATOM 1396 O HIS A 89 -11.894 18.259 -8.637 1.00 33.24 O ATOM 1397 CB HIS A 89 -10.874 15.804 -10.183 1.00 10.42 C ATOM 1398 CG HIS A 89 -10.724 14.320 -10.324 1.00 33.24 C ATOM 1399 ND1 HIS A 89 -11.525 13.417 -9.657 1.00 4.32 N ATOM 1400 CD2 HIS A 89 -9.862 13.583 -11.062 1.00 14.14 C ATOM 1401 CE1 HIS A 89 -11.159 12.189 -9.978 1.00 71.44 C ATOM 1402 NE2 HIS A 89 -10.152 12.262 -10.830 1.00 35.21 N ATOM 0 H HIS A 89 -12.836 15.410 -11.641 1.00 60.42 H new ATOM 0 HA HIS A 89 -12.542 15.804 -8.830 1.00 54.34 H new ATOM 0 HB2 HIS A 89 -10.601 16.280 -11.125 1.00 10.42 H new ATOM 0 HB3 HIS A 89 -10.172 16.162 -9.430 1.00 10.42 H new ATOM 0 HD1 HIS A 89 -12.281 13.659 -9.017 1.00 4.32 H new ATOM 0 HD2 HIS A 89 -9.089 13.964 -11.713 1.00 14.14 H new ATOM 0 HE1 HIS A 89 -11.607 11.279 -9.607 1.00 71.44 H new ATOM 0 HE2 HIS A 89 -9.669 11.466 -11.247 1.00 35.21 H new ATOM 1411 N GLN A 90 -12.863 18.485 -10.655 1.00 12.22 N ATOM 1412 CA GLN A 90 -12.937 19.939 -10.578 1.00 34.44 C ATOM 1413 C GLN A 90 -14.305 20.389 -10.077 1.00 34.21 C ATOM 1414 O GLN A 90 -14.753 21.497 -10.374 1.00 33.30 O ATOM 1415 CB GLN A 90 -12.654 20.559 -11.948 1.00 22.35 C ATOM 1416 CG GLN A 90 -11.498 21.547 -11.941 1.00 72.30 C ATOM 1417 CD GLN A 90 -10.201 20.924 -11.462 1.00 75.34 C ATOM 1418 OE1 GLN A 90 -9.795 19.864 -11.939 1.00 4.13 O ATOM 1419 NE2 GLN A 90 -9.543 21.582 -10.514 1.00 71.04 N ATOM 0 H GLN A 90 -13.239 18.088 -11.516 1.00 12.22 H new ATOM 0 HA GLN A 90 -12.181 20.278 -9.870 1.00 34.44 H new ATOM 0 HB2 GLN A 90 -12.437 19.763 -12.660 1.00 22.35 H new ATOM 0 HB3 GLN A 90 -13.552 21.066 -12.301 1.00 22.35 H new ATOM 0 HG2 GLN A 90 -11.357 21.943 -12.947 1.00 72.30 H new ATOM 0 HG3 GLN A 90 -11.750 22.391 -11.299 1.00 72.30 H new ATOM 0 HE21 GLN A 90 -9.917 22.457 -10.148 1.00 71.04 H new ATOM 0 HE22 GLN A 90 -8.664 21.212 -10.153 1.00 71.04 H new ATOM 1428 N ARG A 91 -14.965 19.522 -9.315 1.00 41.40 N ATOM 1429 CA ARG A 91 -16.284 19.830 -8.774 1.00 1.32 C ATOM 1430 C ARG A 91 -17.273 20.134 -9.894 1.00 33.31 C ATOM 1431 O ARG A 91 -18.148 20.988 -9.748 1.00 35.21 O ATOM 1432 CB ARG A 91 -16.200 21.020 -7.816 1.00 75.41 C ATOM 1433 CG ARG A 91 -17.263 21.003 -6.730 1.00 10.44 C ATOM 1434 CD ARG A 91 -16.691 20.545 -5.397 1.00 51.05 C ATOM 1435 NE ARG A 91 -17.734 20.341 -4.395 1.00 14.00 N ATOM 1436 CZ ARG A 91 -17.495 19.900 -3.165 1.00 44.12 C ATOM 1437 NH1 ARG A 91 -16.256 19.617 -2.788 1.00 3.43 N1+ ATOM 1438 NH2 ARG A 91 -18.497 19.741 -2.310 1.00 2.30 N ATOM 0 H ARG A 91 -14.608 18.602 -9.059 1.00 41.40 H new ATOM 0 HA ARG A 91 -16.638 18.956 -8.227 1.00 1.32 H new ATOM 0 HB2 ARG A 91 -15.215 21.031 -7.349 1.00 75.41 H new ATOM 0 HB3 ARG A 91 -16.292 21.943 -8.388 1.00 75.41 H new ATOM 0 HG2 ARG A 91 -17.689 22.000 -6.621 1.00 10.44 H new ATOM 0 HG3 ARG A 91 -18.076 20.340 -7.025 1.00 10.44 H new ATOM 0 HD2 ARG A 91 -16.139 19.616 -5.539 1.00 51.05 H new ATOM 0 HD3 ARG A 91 -15.979 21.287 -5.034 1.00 51.05 H new ATOM 0 HE ARG A 91 -18.699 20.549 -4.654 1.00 14.00 H new ATOM 0 HH11 ARG A 91 -15.483 19.738 -3.443 1.00 3.43 H new ATOM 0 HH12 ARG A 91 -16.075 19.279 -1.843 1.00 3.43 H new ATOM 0 HH21 ARG A 91 -19.452 19.957 -2.597 1.00 2.30 H new ATOM 0 HH22 ARG A 91 -18.313 19.402 -1.366 1.00 2.30 H new ATOM 1452 N ILE A 92 -17.130 19.429 -11.011 1.00 61.40 N ATOM 1453 CA ILE A 92 -18.012 19.623 -12.155 1.00 44.04 C ATOM 1454 C ILE A 92 -18.888 18.396 -12.387 1.00 72.02 C ATOM 1455 O ILE A 92 -18.414 17.262 -12.327 1.00 71.24 O ATOM 1456 CB ILE A 92 -17.213 19.919 -13.439 1.00 3.04 C ATOM 1457 CG1 ILE A 92 -16.179 21.016 -13.178 1.00 51.22 C ATOM 1458 CG2 ILE A 92 -18.152 20.324 -14.565 1.00 42.00 C ATOM 1459 CD1 ILE A 92 -15.339 21.354 -14.391 1.00 41.01 C ATOM 0 H ILE A 92 -16.412 18.718 -11.148 1.00 61.40 H new ATOM 0 HA ILE A 92 -18.644 20.481 -11.924 1.00 44.04 H new ATOM 0 HB ILE A 92 -16.687 19.013 -13.741 1.00 3.04 H new ATOM 0 HG12 ILE A 92 -16.693 21.916 -12.839 1.00 51.22 H new ATOM 0 HG13 ILE A 92 -15.522 20.700 -12.368 1.00 51.22 H new ATOM 0 HG21 ILE A 92 -17.573 20.530 -15.465 1.00 42.00 H new ATOM 0 HG22 ILE A 92 -18.854 19.514 -14.762 1.00 42.00 H new ATOM 0 HG23 ILE A 92 -18.703 21.219 -14.275 1.00 42.00 H new ATOM 0 HD11 ILE A 92 -14.628 22.139 -14.134 1.00 41.01 H new ATOM 0 HD12 ILE A 92 -14.797 20.466 -14.717 1.00 41.01 H new ATOM 0 HD13 ILE A 92 -15.986 21.701 -15.197 1.00 41.01 H new ATOM 1471 N ASP A 93 -20.168 18.633 -12.655 1.00 44.41 N ATOM 1472 CA ASP A 93 -21.111 17.548 -12.899 1.00 63.22 C ATOM 1473 C ASP A 93 -21.836 17.747 -14.227 1.00 34.24 C ATOM 1474 O ASP A 93 -22.549 18.733 -14.415 1.00 72.40 O ATOM 1475 CB ASP A 93 -22.125 17.459 -11.758 1.00 62.34 C ATOM 1476 CG ASP A 93 -22.951 18.722 -11.616 1.00 41.21 C ATOM 1477 OD1 ASP A 93 -22.398 19.742 -11.151 1.00 75.30 O ATOM 1478 OD2 ASP A 93 -24.147 18.692 -11.972 1.00 22.24 O1- ATOM 0 H ASP A 93 -20.576 19.566 -12.709 1.00 44.41 H new ATOM 0 HA ASP A 93 -20.549 16.615 -12.949 1.00 63.22 H new ATOM 0 HB2 ASP A 93 -22.789 16.612 -11.931 1.00 62.34 H new ATOM 0 HB3 ASP A 93 -21.599 17.266 -10.823 1.00 62.34 H new ATOM 1483 N VAL A 94 -21.648 16.805 -15.146 1.00 11.22 N ATOM 1484 CA VAL A 94 -22.284 16.876 -16.455 1.00 74.13 C ATOM 1485 C VAL A 94 -23.144 15.645 -16.717 1.00 31.14 C ATOM 1486 O VAL A 94 -23.169 14.710 -15.918 1.00 3.22 O ATOM 1487 CB VAL A 94 -21.239 17.007 -17.580 1.00 74.02 C ATOM 1488 CG1 VAL A 94 -20.350 18.218 -17.343 1.00 45.22 C ATOM 1489 CG2 VAL A 94 -20.409 15.737 -17.686 1.00 3.03 C ATOM 0 H VAL A 94 -21.060 15.983 -15.007 1.00 11.22 H new ATOM 0 HA VAL A 94 -22.917 17.763 -16.451 1.00 74.13 H new ATOM 0 HB VAL A 94 -21.763 17.150 -18.525 1.00 74.02 H new ATOM 0 HG11 VAL A 94 -19.618 18.295 -18.147 1.00 45.22 H new ATOM 0 HG12 VAL A 94 -20.962 19.120 -17.322 1.00 45.22 H new ATOM 0 HG13 VAL A 94 -19.832 18.108 -16.390 1.00 45.22 H new ATOM 0 HG21 VAL A 94 -19.676 15.847 -18.485 1.00 3.03 H new ATOM 0 HG22 VAL A 94 -19.893 15.560 -16.742 1.00 3.03 H new ATOM 0 HG23 VAL A 94 -21.062 14.893 -17.906 1.00 3.03 H new ATOM 1499 N LYS A 95 -23.850 15.652 -17.843 1.00 64.11 N ATOM 1500 CA LYS A 95 -24.712 14.535 -18.213 1.00 51.22 C ATOM 1501 C LYS A 95 -24.065 13.687 -19.303 1.00 41.32 C ATOM 1502 O LYS A 95 -24.309 12.484 -19.394 1.00 25.25 O ATOM 1503 CB LYS A 95 -26.070 15.050 -18.692 1.00 75.33 C ATOM 1504 CG LYS A 95 -27.222 14.112 -18.376 1.00 24.44 C ATOM 1505 CD LYS A 95 -28.537 14.863 -18.257 1.00 34.24 C ATOM 1506 CE LYS A 95 -29.040 14.884 -16.821 1.00 61.22 C ATOM 1507 NZ LYS A 95 -29.387 13.520 -16.336 1.00 4.13 N1+ ATOM 0 H LYS A 95 -23.842 16.419 -18.515 1.00 64.11 H new ATOM 0 HA LYS A 95 -24.857 13.912 -17.330 1.00 51.22 H new ATOM 0 HB2 LYS A 95 -26.265 16.019 -18.232 1.00 75.33 H new ATOM 0 HB3 LYS A 95 -26.029 15.211 -19.769 1.00 75.33 H new ATOM 0 HG2 LYS A 95 -27.303 13.357 -19.158 1.00 24.44 H new ATOM 0 HG3 LYS A 95 -27.018 13.585 -17.444 1.00 24.44 H new ATOM 0 HD2 LYS A 95 -28.407 15.885 -18.613 1.00 34.24 H new ATOM 0 HD3 LYS A 95 -29.284 14.395 -18.898 1.00 34.24 H new ATOM 0 HE2 LYS A 95 -28.276 15.316 -16.175 1.00 61.22 H new ATOM 0 HE3 LYS A 95 -29.917 15.528 -16.752 1.00 61.22 H new ATOM 0 HZ1 LYS A 95 -30.089 13.591 -15.572 1.00 4.13 H new ATOM 0 HZ2 LYS A 95 -29.783 12.963 -17.120 1.00 4.13 H new ATOM 0 HZ3 LYS A 95 -28.531 13.051 -15.976 1.00 4.13 H new ATOM 1521 N ASP A 96 -23.238 14.320 -20.127 1.00 13.34 N ATOM 1522 CA ASP A 96 -22.554 13.623 -21.209 1.00 43.11 C ATOM 1523 C ASP A 96 -21.121 14.126 -21.360 1.00 25.05 C ATOM 1524 O ASP A 96 -20.687 15.024 -20.638 1.00 34.15 O ATOM 1525 CB ASP A 96 -23.312 13.808 -22.524 1.00 53.34 C ATOM 1526 CG ASP A 96 -23.884 15.204 -22.672 1.00 1.12 C ATOM 1527 OD1 ASP A 96 -23.143 16.105 -23.119 1.00 61.14 O ATOM 1528 OD2 ASP A 96 -25.071 15.397 -22.340 1.00 32.44 O1- ATOM 0 H ASP A 96 -23.025 15.316 -20.066 1.00 13.34 H new ATOM 0 HA ASP A 96 -22.524 12.562 -20.962 1.00 43.11 H new ATOM 0 HB2 ASP A 96 -22.641 13.603 -23.358 1.00 53.34 H new ATOM 0 HB3 ASP A 96 -24.121 13.079 -22.579 1.00 53.34 H new ATOM 1533 N THR A 97 -20.389 13.539 -22.302 1.00 22.35 N ATOM 1534 CA THR A 97 -19.005 13.925 -22.545 1.00 54.32 C ATOM 1535 C THR A 97 -18.924 15.305 -23.187 1.00 71.44 C ATOM 1536 O THR A 97 -17.958 16.042 -22.983 1.00 60.35 O ATOM 1537 CB THR A 97 -18.289 12.906 -23.452 1.00 43.20 C ATOM 1538 OG1 THR A 97 -18.358 11.600 -22.871 1.00 32.51 O ATOM 1539 CG2 THR A 97 -16.834 13.298 -23.661 1.00 25.42 C ATOM 0 H THR A 97 -20.732 12.794 -22.909 1.00 22.35 H new ATOM 0 HA THR A 97 -18.508 13.949 -21.575 1.00 54.32 H new ATOM 0 HB THR A 97 -18.790 12.899 -24.420 1.00 43.20 H new ATOM 0 HG1 THR A 97 -19.270 11.430 -22.556 1.00 32.51 H new ATOM 0 HG21 THR A 97 -16.348 12.564 -24.304 1.00 25.42 H new ATOM 0 HG22 THR A 97 -16.786 14.281 -24.130 1.00 25.42 H new ATOM 0 HG23 THR A 97 -16.324 13.330 -22.698 1.00 25.42 H new ATOM 1547 N LYS A 98 -19.944 15.651 -23.965 1.00 14.30 N ATOM 1548 CA LYS A 98 -19.991 16.944 -24.638 1.00 0.45 C ATOM 1549 C LYS A 98 -20.131 18.078 -23.626 1.00 72.10 C ATOM 1550 O LYS A 98 -19.384 19.055 -23.669 1.00 35.42 O ATOM 1551 CB LYS A 98 -21.154 16.985 -25.630 1.00 73.13 C ATOM 1552 CG LYS A 98 -20.726 16.812 -27.076 1.00 55.13 C ATOM 1553 CD LYS A 98 -20.258 18.126 -27.680 1.00 74.14 C ATOM 1554 CE LYS A 98 -21.375 18.816 -28.448 1.00 33.14 C ATOM 1555 NZ LYS A 98 -21.665 18.133 -29.739 1.00 51.32 N1+ ATOM 0 H LYS A 98 -20.750 15.053 -24.145 1.00 14.30 H new ATOM 0 HA LYS A 98 -19.055 17.077 -25.181 1.00 0.45 H new ATOM 0 HB2 LYS A 98 -21.866 16.201 -25.374 1.00 73.13 H new ATOM 0 HB3 LYS A 98 -21.676 17.936 -25.526 1.00 73.13 H new ATOM 0 HG2 LYS A 98 -19.923 16.078 -27.133 1.00 55.13 H new ATOM 0 HG3 LYS A 98 -21.559 16.419 -27.659 1.00 55.13 H new ATOM 0 HD2 LYS A 98 -19.899 18.784 -26.889 1.00 74.14 H new ATOM 0 HD3 LYS A 98 -19.416 17.941 -28.347 1.00 74.14 H new ATOM 0 HE2 LYS A 98 -22.277 18.836 -27.837 1.00 33.14 H new ATOM 0 HE3 LYS A 98 -21.097 19.852 -28.640 1.00 33.14 H new ATOM 0 HZ1 LYS A 98 -22.237 18.758 -30.342 1.00 51.32 H new ATOM 0 HZ2 LYS A 98 -20.771 17.909 -30.222 1.00 51.32 H new ATOM 0 HZ3 LYS A 98 -22.189 17.254 -29.556 1.00 51.32 H new ATOM 1569 N GLU A 99 -21.092 17.939 -22.718 1.00 13.32 N ATOM 1570 CA GLU A 99 -21.328 18.952 -21.696 1.00 13.02 C ATOM 1571 C GLU A 99 -20.045 19.264 -20.932 1.00 41.51 C ATOM 1572 O GLU A 99 -19.730 20.426 -20.676 1.00 42.23 O ATOM 1573 CB GLU A 99 -22.413 18.484 -20.723 1.00 22.10 C ATOM 1574 CG GLU A 99 -23.820 18.580 -21.289 1.00 24.55 C ATOM 1575 CD GLU A 99 -24.743 19.409 -20.419 1.00 32.34 C ATOM 1576 OE1 GLU A 99 -24.720 19.222 -19.183 1.00 55.55 O ATOM 1577 OE2 GLU A 99 -25.488 20.245 -20.971 1.00 73.43 O1- ATOM 0 H GLU A 99 -21.719 17.136 -22.669 1.00 13.32 H new ATOM 0 HA GLU A 99 -21.664 19.862 -22.194 1.00 13.02 H new ATOM 0 HB2 GLU A 99 -22.214 17.450 -20.440 1.00 22.10 H new ATOM 0 HB3 GLU A 99 -22.355 19.081 -19.813 1.00 22.10 H new ATOM 0 HG2 GLU A 99 -23.777 19.017 -22.287 1.00 24.55 H new ATOM 0 HG3 GLU A 99 -24.233 17.577 -21.398 1.00 24.55 H new ATOM 1584 N ALA A 100 -19.309 18.219 -20.571 1.00 62.42 N ATOM 1585 CA ALA A 100 -18.059 18.380 -19.837 1.00 54.04 C ATOM 1586 C ALA A 100 -17.019 19.111 -20.680 1.00 73.35 C ATOM 1587 O ALA A 100 -16.218 19.889 -20.159 1.00 65.41 O ATOM 1588 CB ALA A 100 -17.527 17.025 -19.397 1.00 41.15 C ATOM 0 H ALA A 100 -19.556 17.251 -20.775 1.00 62.42 H new ATOM 0 HA ALA A 100 -18.261 18.983 -18.952 1.00 54.04 H new ATOM 0 HB1 ALA A 100 -16.594 17.161 -18.850 1.00 41.15 H new ATOM 0 HB2 ALA A 100 -18.258 16.539 -18.751 1.00 41.15 H new ATOM 0 HB3 ALA A 100 -17.347 16.403 -20.274 1.00 41.15 H new ATOM 1594 N LEU A 101 -17.035 18.856 -21.984 1.00 54.01 N ATOM 1595 CA LEU A 101 -16.093 19.490 -22.900 1.00 25.44 C ATOM 1596 C LEU A 101 -16.330 20.995 -22.970 1.00 24.41 C ATOM 1597 O LEU A 101 -15.386 21.784 -22.936 1.00 12.34 O ATOM 1598 CB LEU A 101 -16.217 18.877 -24.296 1.00 1.03 C ATOM 1599 CG LEU A 101 -14.916 18.382 -24.928 1.00 63.35 C ATOM 1600 CD1 LEU A 101 -13.908 19.515 -25.032 1.00 1.44 C ATOM 1601 CD2 LEU A 101 -14.339 17.224 -24.128 1.00 33.52 C ATOM 0 H LEU A 101 -17.690 18.214 -22.431 1.00 54.01 H new ATOM 0 HA LEU A 101 -15.085 19.317 -22.522 1.00 25.44 H new ATOM 0 HB2 LEU A 101 -16.914 18.040 -24.243 1.00 1.03 H new ATOM 0 HB3 LEU A 101 -16.660 19.620 -24.959 1.00 1.03 H new ATOM 0 HG LEU A 101 -15.137 18.026 -25.934 1.00 63.35 H new ATOM 0 HD11 LEU A 101 -12.988 19.144 -25.484 1.00 1.44 H new ATOM 0 HD12 LEU A 101 -14.320 20.313 -25.650 1.00 1.44 H new ATOM 0 HD13 LEU A 101 -13.692 19.902 -24.036 1.00 1.44 H new ATOM 0 HD21 LEU A 101 -13.413 16.886 -24.594 1.00 33.52 H new ATOM 0 HD22 LEU A 101 -14.134 17.552 -23.109 1.00 33.52 H new ATOM 0 HD23 LEU A 101 -15.056 16.403 -24.107 1.00 33.52 H new ATOM 1613 N ASP A 102 -17.596 21.385 -23.065 1.00 70.32 N ATOM 1614 CA ASP A 102 -17.958 22.796 -23.136 1.00 74.14 C ATOM 1615 C ASP A 102 -17.490 23.541 -21.890 1.00 40.42 C ATOM 1616 O ASP A 102 -17.067 24.694 -21.965 1.00 33.13 O ATOM 1617 CB ASP A 102 -19.471 22.949 -23.299 1.00 11.12 C ATOM 1618 CG ASP A 102 -19.985 22.302 -24.570 1.00 41.02 C ATOM 1619 OD1 ASP A 102 -19.377 22.526 -25.637 1.00 42.22 O1- ATOM 1620 OD2 ASP A 102 -20.996 21.572 -24.498 1.00 22.22 O ATOM 0 H ASP A 102 -18.389 20.744 -23.095 1.00 70.32 H new ATOM 0 HA ASP A 102 -17.461 23.229 -24.004 1.00 74.14 H new ATOM 0 HB2 ASP A 102 -19.973 22.504 -22.440 1.00 11.12 H new ATOM 0 HB3 ASP A 102 -19.728 24.008 -23.305 1.00 11.12 H new ATOM 1625 N LYS A 103 -17.570 22.873 -20.743 1.00 51.52 N ATOM 1626 CA LYS A 103 -17.155 23.471 -19.480 1.00 4.34 C ATOM 1627 C LYS A 103 -15.654 23.747 -19.475 1.00 62.01 C ATOM 1628 O LYS A 103 -15.224 24.888 -19.304 1.00 22.52 O ATOM 1629 CB LYS A 103 -17.518 22.549 -18.313 1.00 42.32 C ATOM 1630 CG LYS A 103 -19.011 22.320 -18.162 1.00 34.52 C ATOM 1631 CD LYS A 103 -19.707 23.539 -17.578 1.00 41.10 C ATOM 1632 CE LYS A 103 -20.480 23.188 -16.315 1.00 52.45 C ATOM 1633 NZ LYS A 103 -21.437 24.264 -15.936 1.00 21.01 N1+ ATOM 0 H LYS A 103 -17.918 21.918 -20.663 1.00 51.52 H new ATOM 0 HA LYS A 103 -17.681 24.419 -19.365 1.00 4.34 H new ATOM 0 HB2 LYS A 103 -17.024 21.588 -18.453 1.00 42.32 H new ATOM 0 HB3 LYS A 103 -17.129 22.976 -17.389 1.00 42.32 H new ATOM 0 HG2 LYS A 103 -19.444 22.084 -19.134 1.00 34.52 H new ATOM 0 HG3 LYS A 103 -19.184 21.458 -17.518 1.00 34.52 H new ATOM 0 HD2 LYS A 103 -18.968 24.308 -17.352 1.00 41.10 H new ATOM 0 HD3 LYS A 103 -20.388 23.960 -18.318 1.00 41.10 H new ATOM 0 HE2 LYS A 103 -21.023 22.256 -16.469 1.00 52.45 H new ATOM 0 HE3 LYS A 103 -19.781 23.018 -15.496 1.00 52.45 H new ATOM 0 HZ1 LYS A 103 -21.945 23.988 -15.071 1.00 21.01 H new ATOM 0 HZ2 LYS A 103 -20.916 25.148 -15.765 1.00 21.01 H new ATOM 0 HZ3 LYS A 103 -22.120 24.409 -16.707 1.00 21.01 H new ATOM 1647 N ILE A 104 -14.863 22.695 -19.666 1.00 15.41 N ATOM 1648 CA ILE A 104 -13.411 22.827 -19.687 1.00 31.31 C ATOM 1649 C ILE A 104 -12.967 23.860 -20.716 1.00 33.42 C ATOM 1650 O ILE A 104 -11.936 24.511 -20.551 1.00 41.31 O ATOM 1651 CB ILE A 104 -12.730 21.482 -19.999 1.00 4.21 C ATOM 1652 CG1 ILE A 104 -13.134 20.428 -18.965 1.00 2.51 C ATOM 1653 CG2 ILE A 104 -11.218 21.649 -20.030 1.00 50.11 C ATOM 1654 CD1 ILE A 104 -12.570 19.054 -19.252 1.00 32.03 C ATOM 0 H ILE A 104 -15.203 21.744 -19.808 1.00 15.41 H new ATOM 0 HA ILE A 104 -13.109 23.157 -18.693 1.00 31.31 H new ATOM 0 HB ILE A 104 -13.059 21.144 -20.982 1.00 4.21 H new ATOM 0 HG12 ILE A 104 -12.799 20.751 -17.979 1.00 2.51 H new ATOM 0 HG13 ILE A 104 -14.222 20.365 -18.928 1.00 2.51 H new ATOM 0 HG21 ILE A 104 -10.750 20.690 -20.252 1.00 50.11 H new ATOM 0 HG22 ILE A 104 -10.947 22.371 -20.800 1.00 50.11 H new ATOM 0 HG23 ILE A 104 -10.871 22.006 -19.060 1.00 50.11 H new ATOM 0 HD11 ILE A 104 -12.897 18.358 -18.479 1.00 32.03 H new ATOM 0 HD12 ILE A 104 -12.925 18.711 -20.224 1.00 32.03 H new ATOM 0 HD13 ILE A 104 -11.481 19.102 -19.260 1.00 32.03 H new ATOM 1666 N GLU A 105 -13.755 24.007 -21.777 1.00 52.21 N ATOM 1667 CA GLU A 105 -13.442 24.963 -22.833 1.00 20.24 C ATOM 1668 C GLU A 105 -13.788 26.385 -22.399 1.00 72.52 C ATOM 1669 O GLU A 105 -13.053 27.329 -22.688 1.00 21.44 O ATOM 1670 CB GLU A 105 -14.201 24.610 -24.113 1.00 24.11 C ATOM 1671 CG GLU A 105 -13.886 25.528 -25.282 1.00 21.23 C ATOM 1672 CD GLU A 105 -13.701 24.774 -26.584 1.00 61.12 C ATOM 1673 OE1 GLU A 105 -14.342 23.715 -26.753 1.00 64.01 O1- ATOM 1674 OE2 GLU A 105 -12.916 25.243 -27.435 1.00 22.41 O ATOM 0 H GLU A 105 -14.613 23.477 -21.928 1.00 52.21 H new ATOM 0 HA GLU A 105 -12.371 24.911 -23.029 1.00 20.24 H new ATOM 0 HB2 GLU A 105 -13.964 23.584 -24.394 1.00 24.11 H new ATOM 0 HB3 GLU A 105 -15.272 24.646 -23.912 1.00 24.11 H new ATOM 0 HG2 GLU A 105 -14.692 26.252 -25.398 1.00 21.23 H new ATOM 0 HG3 GLU A 105 -12.980 26.092 -25.062 1.00 21.23 H new