USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 851 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 17 TYR OH : rot 180:sc= 0.333 USER MOD Set 1.2: A 88 TYR OH : rot 101:sc= 2.01 USER MOD Single : A 10 THR OG1 : rot -145:sc= -1.08 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN :FLIP amide:sc= -0.115 F(o=-4.2,f=-0.12) USER MOD Single : A 18 ASN : amide:sc= -0.0774 K(o=-0.077,f=-0.58) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -143:sc= -0.0106 (180deg=-0.75) USER MOD Single : A 33 TYR OH : rot 180:sc= -0.106 USER MOD Single : A 37 CYS SG : rot -130:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc=-0.00371 X(o=-0.0037,f=0) USER MOD Single : A 40 CYS SG : rot -162:sc= -0.511 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -143:sc= -4.73! (180deg=-9.26!) USER MOD Single : A 47 TYR OH : rot -157:sc= -0.269 USER MOD Single : A 54 TYR OH : rot -35:sc= 0.444 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot -35:sc= 0.288 USER MOD Single : A 73 ASN : amide:sc= -6.05! C(o=-6!,f=-18!) USER MOD Single : A 84 THR OG1 : rot -56:sc= 0.917 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -112:sc= -1.49 (180deg=-7.95!) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.06 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -8:sc= 0.944 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 ASN : amide:sc= -7.29! C(o=-7.3!,f=-11!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -179:sc= 1.17 (180deg=1.17) USER MOD ----------------------------------------------------------------- ATOM 83 N PRO A 8 -1.853 9.202 -6.720 1.00 14.24 N ATOM 84 CA PRO A 8 -2.291 7.986 -7.405 1.00 15.51 C ATOM 85 C PRO A 8 -2.646 6.866 -6.434 1.00 72.52 C ATOM 86 O PRO A 8 -3.749 6.321 -6.471 1.00 41.40 O ATOM 87 CB PRO A 8 -1.075 7.586 -8.236 1.00 3.35 C ATOM 88 CG PRO A 8 0.097 8.155 -7.515 1.00 63.20 C ATOM 89 CD PRO A 8 -0.391 9.386 -6.795 1.00 34.42 C ATOM 0 HA PRO A 8 -3.193 8.159 -7.991 1.00 15.51 H new ATOM 0 HB2 PRO A 8 -0.996 6.502 -8.322 1.00 3.35 H new ATOM 0 HB3 PRO A 8 -1.144 7.982 -9.249 1.00 3.35 H new ATOM 0 HG2 PRO A 8 0.506 7.431 -6.810 1.00 63.20 H new ATOM 0 HG3 PRO A 8 0.896 8.406 -8.213 1.00 63.20 H new ATOM 0 HD2 PRO A 8 0.052 9.469 -5.803 1.00 34.42 H new ATOM 0 HD3 PRO A 8 -0.131 10.295 -7.338 1.00 34.42 H new ATOM 97 N VAL A 9 -1.696 6.525 -5.570 1.00 44.12 N ATOM 98 CA VAL A 9 -1.889 5.468 -4.587 1.00 62.33 C ATOM 99 C VAL A 9 -3.160 5.704 -3.772 1.00 22.23 C ATOM 100 O VAL A 9 -3.397 6.800 -3.265 1.00 54.03 O ATOM 101 CB VAL A 9 -0.654 5.343 -3.658 1.00 64.01 C ATOM 102 CG1 VAL A 9 -0.128 6.716 -3.269 1.00 13.52 C ATOM 103 CG2 VAL A 9 -0.957 4.505 -2.420 1.00 42.03 C ATOM 0 H VAL A 9 -0.779 6.970 -5.532 1.00 44.12 H new ATOM 0 HA VAL A 9 -2.004 4.527 -5.125 1.00 62.33 H new ATOM 0 HB VAL A 9 0.123 4.824 -4.218 1.00 64.01 H new ATOM 0 HG11 VAL A 9 0.738 6.603 -2.617 1.00 13.52 H new ATOM 0 HG12 VAL A 9 0.162 7.262 -4.167 1.00 13.52 H new ATOM 0 HG13 VAL A 9 -0.907 7.269 -2.744 1.00 13.52 H new ATOM 0 HG21 VAL A 9 -0.066 4.442 -1.796 1.00 42.03 H new ATOM 0 HG22 VAL A 9 -1.764 4.970 -1.854 1.00 42.03 H new ATOM 0 HG23 VAL A 9 -1.258 3.503 -2.724 1.00 42.03 H new ATOM 113 N THR A 10 -3.974 4.659 -3.669 1.00 5.01 N ATOM 114 CA THR A 10 -5.231 4.718 -2.940 1.00 75.12 C ATOM 115 C THR A 10 -5.005 5.031 -1.469 1.00 31.32 C ATOM 116 O THR A 10 -5.001 4.138 -0.620 1.00 72.42 O ATOM 117 CB THR A 10 -5.991 3.399 -3.078 1.00 63.14 C ATOM 118 OG1 THR A 10 -6.309 3.141 -4.434 1.00 31.52 O ATOM 119 CG2 THR A 10 -7.283 3.372 -2.289 1.00 13.33 C ATOM 0 H THR A 10 -3.780 3.750 -4.088 1.00 5.01 H new ATOM 0 HA THR A 10 -5.826 5.522 -3.373 1.00 75.12 H new ATOM 0 HB THR A 10 -5.323 2.636 -2.680 1.00 63.14 H new ATOM 0 HG1 THR A 10 -7.179 2.692 -4.486 1.00 31.52 H new ATOM 0 HG21 THR A 10 -7.775 2.409 -2.429 1.00 13.33 H new ATOM 0 HG22 THR A 10 -7.066 3.518 -1.231 1.00 13.33 H new ATOM 0 HG23 THR A 10 -7.939 4.169 -2.639 1.00 13.33 H new ATOM 127 N VAL A 11 -4.839 6.307 -1.178 1.00 71.41 N ATOM 128 CA VAL A 11 -4.638 6.757 0.186 1.00 3.10 C ATOM 129 C VAL A 11 -5.936 6.613 0.974 1.00 13.32 C ATOM 130 O VAL A 11 -6.789 7.500 0.959 1.00 52.32 O ATOM 131 CB VAL A 11 -4.156 8.221 0.211 1.00 61.10 C ATOM 132 CG1 VAL A 11 -4.967 9.066 -0.759 1.00 2.44 C ATOM 133 CG2 VAL A 11 -4.211 8.797 1.619 1.00 12.43 C ATOM 0 H VAL A 11 -4.839 7.054 -1.872 1.00 71.41 H new ATOM 0 HA VAL A 11 -3.869 6.138 0.649 1.00 3.10 H new ATOM 0 HB VAL A 11 -3.114 8.240 -0.109 1.00 61.10 H new ATOM 0 HG11 VAL A 11 -4.613 10.096 -0.728 1.00 2.44 H new ATOM 0 HG12 VAL A 11 -4.851 8.673 -1.769 1.00 2.44 H new ATOM 0 HG13 VAL A 11 -6.019 9.035 -0.476 1.00 2.44 H new ATOM 0 HG21 VAL A 11 -3.865 9.830 1.603 1.00 12.43 H new ATOM 0 HG22 VAL A 11 -5.237 8.763 1.986 1.00 12.43 H new ATOM 0 HG23 VAL A 11 -3.571 8.210 2.278 1.00 12.43 H new ATOM 143 N VAL A 12 -6.084 5.475 1.644 1.00 12.21 N ATOM 144 CA VAL A 12 -7.281 5.193 2.418 1.00 51.53 C ATOM 145 C VAL A 12 -7.020 5.333 3.910 1.00 64.22 C ATOM 146 O VAL A 12 -6.000 4.869 4.418 1.00 52.11 O ATOM 147 CB VAL A 12 -7.789 3.767 2.126 1.00 72.12 C ATOM 148 CG1 VAL A 12 -6.831 2.731 2.690 1.00 64.02 C ATOM 149 CG2 VAL A 12 -9.187 3.564 2.681 1.00 65.23 C ATOM 0 H VAL A 12 -5.385 4.732 1.665 1.00 12.21 H new ATOM 0 HA VAL A 12 -8.038 5.920 2.124 1.00 51.53 H new ATOM 0 HB VAL A 12 -7.834 3.639 1.044 1.00 72.12 H new ATOM 0 HG11 VAL A 12 -7.207 1.731 2.473 1.00 64.02 H new ATOM 0 HG12 VAL A 12 -5.849 2.856 2.233 1.00 64.02 H new ATOM 0 HG13 VAL A 12 -6.748 2.862 3.769 1.00 64.02 H new ATOM 0 HG21 VAL A 12 -9.522 2.550 2.462 1.00 65.23 H new ATOM 0 HG22 VAL A 12 -9.176 3.717 3.760 1.00 65.23 H new ATOM 0 HG23 VAL A 12 -9.869 4.279 2.220 1.00 65.23 H new ATOM 159 N VAL A 13 -7.953 5.958 4.613 1.00 73.01 N ATOM 160 CA VAL A 13 -7.818 6.130 6.049 1.00 12.41 C ATOM 161 C VAL A 13 -8.376 4.914 6.771 1.00 65.31 C ATOM 162 O VAL A 13 -8.907 4.001 6.139 1.00 22.01 O ATOM 163 CB VAL A 13 -8.533 7.401 6.554 1.00 70.44 C ATOM 164 CG1 VAL A 13 -7.684 8.633 6.282 1.00 61.55 C ATOM 165 CG2 VAL A 13 -9.906 7.542 5.917 1.00 24.13 C ATOM 0 H VAL A 13 -8.806 6.351 4.215 1.00 73.01 H new ATOM 0 HA VAL A 13 -6.755 6.239 6.264 1.00 12.41 H new ATOM 0 HB VAL A 13 -8.671 7.309 7.631 1.00 70.44 H new ATOM 0 HG11 VAL A 13 -8.203 9.520 6.644 1.00 61.55 H new ATOM 0 HG12 VAL A 13 -6.728 8.537 6.796 1.00 61.55 H new ATOM 0 HG13 VAL A 13 -7.511 8.726 5.210 1.00 61.55 H new ATOM 0 HG21 VAL A 13 -10.389 8.445 6.290 1.00 24.13 H new ATOM 0 HG22 VAL A 13 -9.800 7.607 4.834 1.00 24.13 H new ATOM 0 HG23 VAL A 13 -10.515 6.674 6.170 1.00 24.13 H new ATOM 175 N ALA A 14 -8.267 4.902 8.091 1.00 50.31 N ATOM 176 CA ALA A 14 -8.780 3.789 8.876 1.00 20.23 C ATOM 177 C ALA A 14 -10.290 3.672 8.706 1.00 61.22 C ATOM 178 O ALA A 14 -10.885 2.637 9.006 1.00 75.33 O ATOM 179 CB ALA A 14 -8.414 3.963 10.341 1.00 3.45 C ATOM 0 H ALA A 14 -7.831 5.644 8.638 1.00 50.31 H new ATOM 0 HA ALA A 14 -8.323 2.867 8.516 1.00 20.23 H new ATOM 0 HB1 ALA A 14 -8.804 3.123 10.916 1.00 3.45 H new ATOM 0 HB2 ALA A 14 -7.329 4.000 10.443 1.00 3.45 H new ATOM 0 HB3 ALA A 14 -8.845 4.891 10.716 1.00 3.45 H new ATOM 185 N LYS A 15 -10.898 4.748 8.220 1.00 73.33 N ATOM 186 CA LYS A 15 -12.326 4.801 7.997 1.00 2.31 C ATOM 187 C LYS A 15 -12.753 3.855 6.878 1.00 0.43 C ATOM 188 O LYS A 15 -13.794 3.205 6.971 1.00 73.50 O ATOM 189 CB LYS A 15 -12.719 6.231 7.644 1.00 53.11 C ATOM 190 CG LYS A 15 -12.063 7.280 8.526 1.00 42.31 C ATOM 191 CD LYS A 15 -12.909 8.539 8.621 1.00 3.33 C ATOM 192 CE LYS A 15 -12.716 9.433 7.407 1.00 2.15 C ATOM 193 NZ LYS A 15 -13.475 10.708 7.528 1.00 24.30 N ATOM 0 H LYS A 15 -10.408 5.607 7.971 1.00 73.33 H new ATOM 0 HA LYS A 15 -12.832 4.484 8.909 1.00 2.31 H new ATOM 0 HB2 LYS A 15 -12.454 6.425 6.605 1.00 53.11 H new ATOM 0 HB3 LYS A 15 -13.802 6.330 7.720 1.00 53.11 H new ATOM 0 HG2 LYS A 15 -11.906 6.871 9.524 1.00 42.31 H new ATOM 0 HG3 LYS A 15 -11.081 7.530 8.126 1.00 42.31 H new ATOM 0 HD2 LYS A 15 -13.961 8.266 8.710 1.00 3.33 H new ATOM 0 HD3 LYS A 15 -12.645 9.089 9.525 1.00 3.33 H new ATOM 0 HE2 LYS A 15 -11.656 9.653 7.283 1.00 2.15 H new ATOM 0 HE3 LYS A 15 -13.038 8.903 6.511 1.00 2.15 H new ATOM 0 HZ1 LYS A 15 -13.316 11.288 6.680 1.00 24.30 H new ATOM 0 HZ2 LYS A 15 -14.490 10.500 7.620 1.00 24.30 H new ATOM 0 HZ3 LYS A 15 -13.150 11.227 8.368 1.00 24.30 H new ATOM 207 N ASN A 16 -11.953 3.788 5.815 1.00 62.45 N ATOM 208 CA ASN A 16 -12.276 2.923 4.682 1.00 24.10 C ATOM 209 C ASN A 16 -11.234 1.834 4.466 1.00 13.24 C ATOM 210 O ASN A 16 -11.424 0.958 3.630 1.00 70.35 O ATOM 211 CB ASN A 16 -12.429 3.725 3.386 1.00 75.23 C ATOM 212 CG ASN A 16 -12.397 5.215 3.581 1.00 52.33 C ATOM 213 OD1 ASN A 16 -11.235 5.713 3.917 1.00 74.31 O flip ATOM 214 ND2 ASN A 16 -13.406 5.904 3.431 1.00 72.22 N flip ATOM 0 H ASN A 16 -11.086 4.316 5.715 1.00 62.45 H new ATOM 0 HA ASN A 16 -13.226 2.451 4.933 1.00 24.10 H new ATOM 0 HB2 ASN A 16 -11.631 3.442 2.699 1.00 75.23 H new ATOM 0 HB3 ASN A 16 -13.371 3.451 2.911 1.00 75.23 H new ATOM 0 HD21 ASN A 16 -14.289 5.465 3.168 1.00 72.22 H new ATOM 0 HD22 ASN A 16 -13.359 6.913 3.570 1.00 72.22 H new ATOM 221 N TYR A 17 -10.134 1.886 5.198 1.00 73.13 N ATOM 222 CA TYR A 17 -9.085 0.898 5.055 1.00 31.51 C ATOM 223 C TYR A 17 -9.609 -0.534 5.210 1.00 30.21 C ATOM 224 O TYR A 17 -8.953 -1.485 4.785 1.00 22.14 O ATOM 225 CB TYR A 17 -7.997 1.180 6.080 1.00 10.24 C ATOM 226 CG TYR A 17 -7.591 -0.029 6.890 1.00 54.51 C ATOM 227 CD1 TYR A 17 -6.764 -1.001 6.351 1.00 60.52 C ATOM 228 CD2 TYR A 17 -8.052 -0.201 8.187 1.00 41.43 C ATOM 229 CE1 TYR A 17 -6.402 -2.113 7.082 1.00 61.12 C ATOM 230 CE2 TYR A 17 -7.694 -1.310 8.929 1.00 53.20 C ATOM 231 CZ TYR A 17 -6.868 -2.263 8.372 1.00 1.23 C ATOM 232 OH TYR A 17 -6.511 -3.370 9.107 1.00 64.43 O ATOM 0 H TYR A 17 -9.947 2.604 5.898 1.00 73.13 H new ATOM 0 HA TYR A 17 -8.680 0.975 4.046 1.00 31.51 H new ATOM 0 HB2 TYR A 17 -7.120 1.572 5.566 1.00 10.24 H new ATOM 0 HB3 TYR A 17 -8.344 1.960 6.758 1.00 10.24 H new ATOM 0 HD1 TYR A 17 -6.397 -0.886 5.342 1.00 60.52 H new ATOM 0 HD2 TYR A 17 -8.701 0.544 8.624 1.00 41.43 H new ATOM 0 HE1 TYR A 17 -5.757 -2.862 6.647 1.00 61.12 H new ATOM 0 HE2 TYR A 17 -8.059 -1.430 9.938 1.00 53.20 H new ATOM 0 HH TYR A 17 -6.923 -3.320 9.995 1.00 64.43 H new ATOM 242 N ASN A 18 -10.791 -0.686 5.795 1.00 10.22 N ATOM 243 CA ASN A 18 -11.383 -2.001 5.971 1.00 34.50 C ATOM 244 C ASN A 18 -12.370 -2.248 4.844 1.00 51.55 C ATOM 245 O ASN A 18 -13.014 -3.294 4.763 1.00 73.34 O ATOM 246 CB ASN A 18 -12.084 -2.091 7.329 1.00 33.25 C ATOM 247 CG ASN A 18 -13.315 -1.206 7.411 1.00 43.31 C ATOM 248 OD1 ASN A 18 -14.379 -1.553 6.898 1.00 72.43 O ATOM 249 ND2 ASN A 18 -13.174 -0.056 8.059 1.00 21.11 N ATOM 0 H ASN A 18 -11.355 0.084 6.154 1.00 10.22 H new ATOM 0 HA ASN A 18 -10.603 -2.762 5.945 1.00 34.50 H new ATOM 0 HB2 ASN A 18 -12.372 -3.125 7.517 1.00 33.25 H new ATOM 0 HB3 ASN A 18 -11.384 -1.807 8.115 1.00 33.25 H new ATOM 0 HD21 ASN A 18 -13.966 0.580 8.147 1.00 21.11 H new ATOM 0 HD22 ASN A 18 -12.273 0.191 8.469 1.00 21.11 H new ATOM 256 N GLU A 19 -12.493 -1.238 3.996 1.00 74.43 N ATOM 257 CA GLU A 19 -13.394 -1.252 2.879 1.00 71.35 C ATOM 258 C GLU A 19 -12.637 -1.225 1.549 1.00 43.22 C ATOM 259 O GLU A 19 -13.154 -1.663 0.521 1.00 73.12 O ATOM 260 CB GLU A 19 -14.279 -0.023 3.009 1.00 22.30 C ATOM 261 CG GLU A 19 -15.752 -0.326 2.899 1.00 32.11 C ATOM 262 CD GLU A 19 -16.377 0.228 1.633 1.00 63.10 C ATOM 263 OE1 GLU A 19 -16.043 -0.273 0.538 1.00 13.41 O ATOM 264 OE2 GLU A 19 -17.199 1.162 1.736 1.00 3.41 O ATOM 0 H GLU A 19 -11.955 -0.375 4.076 1.00 74.43 H new ATOM 0 HA GLU A 19 -13.986 -2.167 2.885 1.00 71.35 H new ATOM 0 HB2 GLU A 19 -14.085 0.454 3.970 1.00 22.30 H new ATOM 0 HB3 GLU A 19 -14.005 0.695 2.236 1.00 22.30 H new ATOM 0 HG2 GLU A 19 -15.899 -1.406 2.928 1.00 32.11 H new ATOM 0 HG3 GLU A 19 -16.269 0.089 3.765 1.00 32.11 H new ATOM 271 N ILE A 20 -11.418 -0.686 1.575 1.00 42.00 N ATOM 272 CA ILE A 20 -10.600 -0.576 0.372 1.00 52.51 C ATOM 273 C ILE A 20 -9.400 -1.516 0.401 1.00 35.23 C ATOM 274 O ILE A 20 -9.099 -2.180 -0.590 1.00 61.03 O ATOM 275 CB ILE A 20 -10.070 0.858 0.179 1.00 24.15 C ATOM 276 CG1 ILE A 20 -11.124 1.898 0.582 1.00 54.14 C ATOM 277 CG2 ILE A 20 -9.628 1.060 -1.261 1.00 31.52 C ATOM 278 CD1 ILE A 20 -12.279 2.017 -0.388 1.00 65.13 C ATOM 0 H ILE A 20 -10.977 -0.319 2.418 1.00 42.00 H new ATOM 0 HA ILE A 20 -11.256 -0.850 -0.454 1.00 52.51 H new ATOM 0 HB ILE A 20 -9.208 0.998 0.831 1.00 24.15 H new ATOM 0 HG12 ILE A 20 -11.515 1.640 1.566 1.00 54.14 H new ATOM 0 HG13 ILE A 20 -10.641 2.871 0.676 1.00 54.14 H new ATOM 0 HG21 ILE A 20 -9.255 2.076 -1.388 1.00 31.52 H new ATOM 0 HG22 ILE A 20 -8.837 0.350 -1.502 1.00 31.52 H new ATOM 0 HG23 ILE A 20 -10.475 0.899 -1.928 1.00 31.52 H new ATOM 0 HD11 ILE A 20 -12.978 2.773 -0.030 1.00 65.13 H new ATOM 0 HD12 ILE A 20 -11.902 2.307 -1.369 1.00 65.13 H new ATOM 0 HD13 ILE A 20 -12.790 1.057 -0.465 1.00 65.13 H new ATOM 290 N VAL A 21 -8.710 -1.567 1.537 1.00 13.15 N ATOM 291 CA VAL A 21 -7.541 -2.423 1.679 1.00 74.31 C ATOM 292 C VAL A 21 -7.955 -3.807 2.132 1.00 32.11 C ATOM 293 O VAL A 21 -7.231 -4.782 1.955 1.00 30.43 O ATOM 294 CB VAL A 21 -6.540 -1.839 2.695 1.00 21.11 C ATOM 295 CG1 VAL A 21 -5.295 -2.710 2.799 1.00 12.14 C ATOM 296 CG2 VAL A 21 -6.171 -0.416 2.315 1.00 4.12 C ATOM 0 H VAL A 21 -8.941 -1.026 2.370 1.00 13.15 H new ATOM 0 HA VAL A 21 -7.057 -2.483 0.704 1.00 74.31 H new ATOM 0 HB VAL A 21 -7.018 -1.823 3.674 1.00 21.11 H new ATOM 0 HG11 VAL A 21 -4.606 -2.275 3.523 1.00 12.14 H new ATOM 0 HG12 VAL A 21 -5.578 -3.711 3.124 1.00 12.14 H new ATOM 0 HG13 VAL A 21 -4.809 -2.768 1.825 1.00 12.14 H new ATOM 0 HG21 VAL A 21 -5.463 -0.017 3.042 1.00 4.12 H new ATOM 0 HG22 VAL A 21 -5.716 -0.410 1.325 1.00 4.12 H new ATOM 0 HG23 VAL A 21 -7.069 0.202 2.305 1.00 4.12 H new ATOM 306 N LEU A 22 -9.132 -3.878 2.714 1.00 62.02 N ATOM 307 CA LEU A 22 -9.662 -5.128 3.199 1.00 15.22 C ATOM 308 C LEU A 22 -10.635 -5.722 2.188 1.00 41.35 C ATOM 309 O LEU A 22 -11.448 -6.586 2.514 1.00 65.21 O ATOM 310 CB LEU A 22 -10.332 -4.878 4.541 1.00 73.24 C ATOM 311 CG LEU A 22 -10.304 -6.042 5.539 1.00 62.35 C ATOM 312 CD1 LEU A 22 -11.402 -5.877 6.578 1.00 60.20 C ATOM 313 CD2 LEU A 22 -10.439 -7.385 4.833 1.00 13.10 C ATOM 0 H LEU A 22 -9.743 -3.075 2.863 1.00 62.02 H new ATOM 0 HA LEU A 22 -8.858 -5.852 3.332 1.00 15.22 H new ATOM 0 HB2 LEU A 22 -9.855 -4.016 5.007 1.00 73.24 H new ATOM 0 HB3 LEU A 22 -11.372 -4.607 4.359 1.00 73.24 H new ATOM 0 HG LEU A 22 -9.337 -6.026 6.042 1.00 62.35 H new ATOM 0 HD11 LEU A 22 -11.368 -6.711 7.279 1.00 60.20 H new ATOM 0 HD12 LEU A 22 -11.253 -4.943 7.119 1.00 60.20 H new ATOM 0 HD13 LEU A 22 -12.372 -5.859 6.082 1.00 60.20 H new ATOM 0 HD21 LEU A 22 -10.415 -8.188 5.570 1.00 13.10 H new ATOM 0 HD22 LEU A 22 -11.384 -7.418 4.291 1.00 13.10 H new ATOM 0 HD23 LEU A 22 -9.614 -7.512 4.132 1.00 13.10 H new ATOM 325 N ASP A 23 -10.535 -5.253 0.949 1.00 73.33 N ATOM 326 CA ASP A 23 -11.393 -5.738 -0.121 1.00 10.24 C ATOM 327 C ASP A 23 -10.811 -7.010 -0.734 1.00 65.21 C ATOM 328 O ASP A 23 -9.594 -7.150 -0.853 1.00 42.23 O ATOM 329 CB ASP A 23 -11.560 -4.666 -1.199 1.00 34.23 C ATOM 330 CG ASP A 23 -12.962 -4.641 -1.776 1.00 41.32 C ATOM 331 OD1 ASP A 23 -13.671 -5.662 -1.657 1.00 43.53 O ATOM 332 OD2 ASP A 23 -13.350 -3.600 -2.348 1.00 23.33 O ATOM 0 H ASP A 23 -9.867 -4.537 0.663 1.00 73.33 H new ATOM 0 HA ASP A 23 -12.372 -5.967 0.300 1.00 10.24 H new ATOM 0 HB2 ASP A 23 -11.327 -3.689 -0.775 1.00 34.23 H new ATOM 0 HB3 ASP A 23 -10.843 -4.845 -2.000 1.00 34.23 H new ATOM 337 N ASP A 24 -11.684 -7.937 -1.117 1.00 43.30 N ATOM 338 CA ASP A 24 -11.247 -9.196 -1.711 1.00 4.41 C ATOM 339 C ASP A 24 -11.392 -9.171 -3.230 1.00 13.13 C ATOM 340 O ASP A 24 -11.464 -10.219 -3.872 1.00 73.32 O ATOM 341 CB ASP A 24 -12.051 -10.361 -1.133 1.00 72.31 C ATOM 342 CG ASP A 24 -13.534 -10.241 -1.423 1.00 44.42 C ATOM 343 OD1 ASP A 24 -13.963 -10.676 -2.513 1.00 4.20 O ATOM 344 OD2 ASP A 24 -14.266 -9.710 -0.562 1.00 54.41 O ATOM 0 H ASP A 24 -12.695 -7.841 -1.027 1.00 43.30 H new ATOM 0 HA ASP A 24 -10.192 -9.330 -1.470 1.00 4.41 H new ATOM 0 HB2 ASP A 24 -11.677 -11.297 -1.547 1.00 72.31 H new ATOM 0 HB3 ASP A 24 -11.897 -10.405 -0.055 1.00 72.31 H new ATOM 349 N THR A 25 -11.431 -7.972 -3.802 1.00 53.34 N ATOM 350 CA THR A 25 -11.564 -7.819 -5.246 1.00 13.33 C ATOM 351 C THR A 25 -10.194 -7.708 -5.910 1.00 21.11 C ATOM 352 O THR A 25 -10.048 -7.978 -7.102 1.00 50.55 O ATOM 353 CB THR A 25 -12.404 -6.583 -5.574 1.00 15.52 C ATOM 354 OG1 THR A 25 -12.543 -6.430 -6.976 1.00 52.32 O ATOM 355 CG2 THR A 25 -11.820 -5.299 -5.027 1.00 12.41 C ATOM 0 H THR A 25 -11.372 -7.093 -3.288 1.00 53.34 H new ATOM 0 HA THR A 25 -12.066 -8.705 -5.635 1.00 13.33 H new ATOM 0 HB THR A 25 -13.369 -6.755 -5.097 1.00 15.52 H new ATOM 0 HG1 THR A 25 -13.084 -5.636 -7.166 1.00 52.32 H new ATOM 0 HG21 THR A 25 -12.465 -4.462 -5.296 1.00 12.41 H new ATOM 0 HG22 THR A 25 -11.746 -5.366 -3.942 1.00 12.41 H new ATOM 0 HG23 THR A 25 -10.827 -5.142 -5.449 1.00 12.41 H new ATOM 363 N LYS A 26 -9.193 -7.309 -5.131 1.00 64.34 N ATOM 364 CA LYS A 26 -7.835 -7.162 -5.643 1.00 52.34 C ATOM 365 C LYS A 26 -6.831 -7.100 -4.497 1.00 41.14 C ATOM 366 O LYS A 26 -7.204 -6.873 -3.346 1.00 70.12 O ATOM 367 CB LYS A 26 -7.725 -5.899 -6.498 1.00 43.41 C ATOM 368 CG LYS A 26 -8.267 -4.654 -5.814 1.00 45.11 C ATOM 369 CD LYS A 26 -9.099 -3.809 -6.767 1.00 24.03 C ATOM 370 CE LYS A 26 -9.547 -2.510 -6.116 1.00 22.42 C ATOM 371 NZ LYS A 26 -10.978 -2.212 -6.398 1.00 4.32 N ATOM 0 H LYS A 26 -9.297 -7.082 -4.142 1.00 64.34 H new ATOM 0 HA LYS A 26 -7.607 -8.031 -6.260 1.00 52.34 H new ATOM 0 HB2 LYS A 26 -6.679 -5.735 -6.757 1.00 43.41 H new ATOM 0 HB3 LYS A 26 -8.264 -6.054 -7.432 1.00 43.41 H new ATOM 0 HG2 LYS A 26 -8.876 -4.944 -4.958 1.00 45.11 H new ATOM 0 HG3 LYS A 26 -7.438 -4.060 -5.429 1.00 45.11 H new ATOM 0 HD2 LYS A 26 -8.516 -3.587 -7.661 1.00 24.03 H new ATOM 0 HD3 LYS A 26 -9.973 -4.376 -7.089 1.00 24.03 H new ATOM 0 HE2 LYS A 26 -9.395 -2.573 -5.038 1.00 22.42 H new ATOM 0 HE3 LYS A 26 -8.927 -1.690 -6.478 1.00 22.42 H new ATOM 0 HZ1 LYS A 26 -11.100 -1.187 -6.528 1.00 4.32 H new ATOM 0 HZ2 LYS A 26 -11.272 -2.708 -7.264 1.00 4.32 H new ATOM 0 HZ3 LYS A 26 -11.563 -2.532 -5.600 1.00 4.32 H new ATOM 385 N ASP A 27 -5.555 -7.291 -4.817 1.00 24.42 N ATOM 386 CA ASP A 27 -4.507 -7.243 -3.808 1.00 22.11 C ATOM 387 C ASP A 27 -4.214 -5.797 -3.433 1.00 12.42 C ATOM 388 O ASP A 27 -3.803 -4.999 -4.274 1.00 4.03 O ATOM 389 CB ASP A 27 -3.237 -7.925 -4.321 1.00 1.12 C ATOM 390 CG ASP A 27 -3.454 -9.392 -4.638 1.00 23.20 C ATOM 391 OD1 ASP A 27 -4.612 -9.854 -4.560 1.00 61.20 O ATOM 392 OD2 ASP A 27 -2.464 -10.081 -4.964 1.00 44.20 O ATOM 0 H ASP A 27 -5.224 -7.480 -5.763 1.00 24.42 H new ATOM 0 HA ASP A 27 -4.850 -7.777 -2.922 1.00 22.11 H new ATOM 0 HB2 ASP A 27 -2.889 -7.411 -5.217 1.00 1.12 H new ATOM 0 HB3 ASP A 27 -2.450 -7.831 -3.573 1.00 1.12 H new ATOM 397 N VAL A 28 -4.445 -5.458 -2.172 1.00 13.21 N ATOM 398 CA VAL A 28 -4.220 -4.099 -1.702 1.00 73.13 C ATOM 399 C VAL A 28 -3.041 -4.023 -0.742 1.00 22.42 C ATOM 400 O VAL A 28 -2.966 -4.768 0.235 1.00 22.43 O ATOM 401 CB VAL A 28 -5.472 -3.527 -1.010 1.00 31.52 C ATOM 402 CG1 VAL A 28 -5.393 -2.011 -0.932 1.00 22.12 C ATOM 403 CG2 VAL A 28 -6.734 -3.960 -1.741 1.00 74.34 C ATOM 0 H VAL A 28 -4.787 -6.103 -1.459 1.00 13.21 H new ATOM 0 HA VAL A 28 -3.995 -3.501 -2.585 1.00 73.13 H new ATOM 0 HB VAL A 28 -5.513 -3.922 0.005 1.00 31.52 H new ATOM 0 HG11 VAL A 28 -6.286 -1.625 -0.440 1.00 22.12 H new ATOM 0 HG12 VAL A 28 -4.511 -1.722 -0.361 1.00 22.12 H new ATOM 0 HG13 VAL A 28 -5.326 -1.598 -1.938 1.00 22.12 H new ATOM 0 HG21 VAL A 28 -7.607 -3.546 -1.237 1.00 74.34 H new ATOM 0 HG22 VAL A 28 -6.702 -3.597 -2.768 1.00 74.34 H new ATOM 0 HG23 VAL A 28 -6.798 -5.048 -1.743 1.00 74.34 H new ATOM 413 N LEU A 29 -2.127 -3.107 -1.033 1.00 22.35 N ATOM 414 CA LEU A 29 -0.944 -2.905 -0.209 1.00 32.45 C ATOM 415 C LEU A 29 -1.089 -1.652 0.628 1.00 41.43 C ATOM 416 O LEU A 29 -0.975 -0.545 0.110 1.00 13.44 O ATOM 417 CB LEU A 29 0.294 -2.771 -1.090 1.00 2.32 C ATOM 418 CG LEU A 29 1.618 -3.092 -0.397 1.00 24.12 C ATOM 419 CD1 LEU A 29 1.683 -4.559 -0.011 1.00 50.44 C ATOM 420 CD2 LEU A 29 2.790 -2.725 -1.290 1.00 4.34 C ATOM 0 H LEU A 29 -2.184 -2.487 -1.841 1.00 22.35 H new ATOM 0 HA LEU A 29 -0.836 -3.768 0.448 1.00 32.45 H new ATOM 0 HB2 LEU A 29 0.182 -3.431 -1.950 1.00 2.32 H new ATOM 0 HB3 LEU A 29 0.340 -1.752 -1.474 1.00 2.32 H new ATOM 0 HG LEU A 29 1.678 -2.497 0.514 1.00 24.12 H new ATOM 0 HD11 LEU A 29 2.634 -4.764 0.481 1.00 50.44 H new ATOM 0 HD12 LEU A 29 0.865 -4.793 0.670 1.00 50.44 H new ATOM 0 HD13 LEU A 29 1.597 -5.175 -0.906 1.00 50.44 H new ATOM 0 HD21 LEU A 29 3.724 -2.961 -0.780 1.00 4.34 H new ATOM 0 HD22 LEU A 29 2.731 -3.292 -2.219 1.00 4.34 H new ATOM 0 HD23 LEU A 29 2.758 -1.659 -1.513 1.00 4.34 H new ATOM 432 N ILE A 30 -1.327 -1.818 1.920 1.00 72.20 N ATOM 433 CA ILE A 30 -1.469 -0.655 2.791 1.00 41.13 C ATOM 434 C ILE A 30 -0.128 -0.270 3.405 1.00 41.14 C ATOM 435 O ILE A 30 0.554 -1.100 4.002 1.00 2.42 O ATOM 436 CB ILE A 30 -2.521 -0.870 3.905 1.00 12.14 C ATOM 437 CG1 ILE A 30 -3.356 0.412 4.079 1.00 44.24 C ATOM 438 CG2 ILE A 30 -1.852 -1.281 5.217 1.00 55.33 C ATOM 439 CD1 ILE A 30 -4.079 0.511 5.398 1.00 63.54 C ATOM 0 H ILE A 30 -1.424 -2.722 2.383 1.00 72.20 H new ATOM 0 HA ILE A 30 -1.824 0.161 2.162 1.00 41.13 H new ATOM 0 HB ILE A 30 -3.186 -1.683 3.615 1.00 12.14 H new ATOM 0 HG12 ILE A 30 -2.699 1.276 3.973 1.00 44.24 H new ATOM 0 HG13 ILE A 30 -4.087 0.467 3.273 1.00 44.24 H new ATOM 0 HG21 ILE A 30 -2.613 -1.426 5.984 1.00 55.33 H new ATOM 0 HG22 ILE A 30 -1.303 -2.211 5.070 1.00 55.33 H new ATOM 0 HG23 ILE A 30 -1.162 -0.499 5.534 1.00 55.33 H new ATOM 0 HD11 ILE A 30 -4.642 1.444 5.435 1.00 63.54 H new ATOM 0 HD12 ILE A 30 -4.764 -0.330 5.501 1.00 63.54 H new ATOM 0 HD13 ILE A 30 -3.355 0.491 6.212 1.00 63.54 H new ATOM 451 N GLU A 31 0.245 0.991 3.239 1.00 61.25 N ATOM 452 CA GLU A 31 1.507 1.495 3.763 1.00 30.23 C ATOM 453 C GLU A 31 1.288 2.433 4.945 1.00 70.24 C ATOM 454 O GLU A 31 1.244 3.651 4.777 1.00 52.11 O ATOM 455 CB GLU A 31 2.275 2.230 2.662 1.00 53.44 C ATOM 456 CG GLU A 31 3.683 1.703 2.443 1.00 31.40 C ATOM 457 CD GLU A 31 4.462 2.525 1.436 1.00 14.42 C ATOM 458 OE1 GLU A 31 4.255 3.756 1.386 1.00 41.43 O ATOM 459 OE2 GLU A 31 5.281 1.938 0.698 1.00 42.43 O ATOM 0 H GLU A 31 -0.311 1.687 2.743 1.00 61.25 H new ATOM 0 HA GLU A 31 2.087 0.640 4.110 1.00 30.23 H new ATOM 0 HB2 GLU A 31 1.718 2.152 1.728 1.00 53.44 H new ATOM 0 HB3 GLU A 31 2.328 3.289 2.913 1.00 53.44 H new ATOM 0 HG2 GLU A 31 4.217 1.698 3.393 1.00 31.40 H new ATOM 0 HG3 GLU A 31 3.631 0.669 2.101 1.00 31.40 H new ATOM 466 N PHE A 32 1.179 1.870 6.144 1.00 61.02 N ATOM 467 CA PHE A 32 1.000 2.679 7.344 1.00 65.22 C ATOM 468 C PHE A 32 2.144 3.672 7.455 1.00 74.45 C ATOM 469 O PHE A 32 3.305 3.286 7.323 1.00 1.24 O ATOM 470 CB PHE A 32 0.968 1.798 8.591 1.00 73.53 C ATOM 471 CG PHE A 32 -0.293 0.994 8.731 1.00 44.52 C ATOM 472 CD1 PHE A 32 -1.460 1.586 9.187 1.00 34.11 C ATOM 473 CD2 PHE A 32 -0.311 -0.352 8.405 1.00 75.21 C ATOM 474 CE1 PHE A 32 -2.622 0.850 9.316 1.00 23.20 C ATOM 475 CE2 PHE A 32 -1.470 -1.094 8.532 1.00 33.35 C ATOM 476 CZ PHE A 32 -2.627 -0.492 8.988 1.00 52.32 C ATOM 0 H PHE A 32 1.211 0.864 6.310 1.00 61.02 H new ATOM 0 HA PHE A 32 0.051 3.210 7.270 1.00 65.22 H new ATOM 0 HB2 PHE A 32 1.820 1.119 8.567 1.00 73.53 H new ATOM 0 HB3 PHE A 32 1.087 2.428 9.473 1.00 73.53 H new ATOM 0 HD1 PHE A 32 -1.461 2.635 9.445 1.00 34.11 H new ATOM 0 HD2 PHE A 32 0.591 -0.827 8.048 1.00 75.21 H new ATOM 0 HE1 PHE A 32 -3.525 1.323 9.673 1.00 23.20 H new ATOM 0 HE2 PHE A 32 -1.471 -2.143 8.275 1.00 33.35 H new ATOM 0 HZ PHE A 32 -3.534 -1.070 9.088 1.00 52.32 H new ATOM 486 N TYR A 33 1.819 4.943 7.677 1.00 41.11 N ATOM 487 CA TYR A 33 2.844 5.977 7.781 1.00 65.10 C ATOM 488 C TYR A 33 2.369 7.172 8.600 1.00 0.14 C ATOM 489 O TYR A 33 1.363 7.108 9.306 1.00 21.44 O ATOM 490 CB TYR A 33 3.248 6.452 6.383 1.00 55.23 C ATOM 491 CG TYR A 33 2.175 7.265 5.687 1.00 21.32 C ATOM 492 CD1 TYR A 33 0.958 6.692 5.342 1.00 44.32 C ATOM 493 CD2 TYR A 33 2.378 8.606 5.382 1.00 40.24 C ATOM 494 CE1 TYR A 33 -0.027 7.431 4.712 1.00 24.31 C ATOM 495 CE2 TYR A 33 1.398 9.351 4.753 1.00 61.35 C ATOM 496 CZ TYR A 33 0.199 8.759 4.420 1.00 73.12 C ATOM 497 OH TYR A 33 -0.779 9.497 3.794 1.00 23.25 O ATOM 0 H TYR A 33 0.862 5.279 7.787 1.00 41.11 H new ATOM 0 HA TYR A 33 3.700 5.537 8.292 1.00 65.10 H new ATOM 0 HB2 TYR A 33 4.155 7.052 6.460 1.00 55.23 H new ATOM 0 HB3 TYR A 33 3.491 5.585 5.769 1.00 55.23 H new ATOM 0 HD1 TYR A 33 0.778 5.652 5.569 1.00 44.32 H new ATOM 0 HD2 TYR A 33 3.317 9.073 5.641 1.00 40.24 H new ATOM 0 HE1 TYR A 33 -0.968 6.970 4.450 1.00 24.31 H new ATOM 0 HE2 TYR A 33 1.571 10.392 4.524 1.00 61.35 H new ATOM 0 HH TYR A 33 -0.462 10.415 3.661 1.00 23.25 H new ATOM 507 N ALA A 34 3.113 8.265 8.477 1.00 72.21 N ATOM 508 CA ALA A 34 2.811 9.504 9.169 1.00 21.32 C ATOM 509 C ALA A 34 3.162 10.687 8.273 1.00 43.41 C ATOM 510 O ALA A 34 3.805 10.516 7.238 1.00 1.30 O ATOM 511 CB ALA A 34 3.583 9.577 10.478 1.00 75.21 C ATOM 0 H ALA A 34 3.946 8.313 7.890 1.00 72.21 H new ATOM 0 HA ALA A 34 1.746 9.538 9.399 1.00 21.32 H new ATOM 0 HB1 ALA A 34 3.348 10.511 10.988 1.00 75.21 H new ATOM 0 HB2 ALA A 34 3.303 8.737 11.113 1.00 75.21 H new ATOM 0 HB3 ALA A 34 4.653 9.535 10.272 1.00 75.21 H new ATOM 517 N PRO A 35 2.768 11.904 8.659 1.00 54.30 N ATOM 518 CA PRO A 35 3.065 13.105 7.895 1.00 5.43 C ATOM 519 C PRO A 35 4.396 13.697 8.320 1.00 35.33 C ATOM 520 O PRO A 35 4.991 14.517 7.621 1.00 62.40 O ATOM 521 CB PRO A 35 1.919 14.024 8.289 1.00 42.25 C ATOM 522 CG PRO A 35 1.626 13.668 9.710 1.00 35.10 C ATOM 523 CD PRO A 35 2.024 12.220 9.888 1.00 41.21 C ATOM 0 HA PRO A 35 3.146 12.935 6.821 1.00 5.43 H new ATOM 0 HB2 PRO A 35 2.200 15.073 8.192 1.00 42.25 H new ATOM 0 HB3 PRO A 35 1.048 13.867 7.653 1.00 42.25 H new ATOM 0 HG2 PRO A 35 2.184 14.309 10.392 1.00 35.10 H new ATOM 0 HG3 PRO A 35 0.569 13.809 9.934 1.00 35.10 H new ATOM 0 HD2 PRO A 35 2.641 12.082 10.776 1.00 41.21 H new ATOM 0 HD3 PRO A 35 1.151 11.577 10.003 1.00 41.21 H new ATOM 531 N TRP A 36 4.841 13.262 9.488 1.00 31.21 N ATOM 532 CA TRP A 36 6.103 13.721 10.063 1.00 75.21 C ATOM 533 C TRP A 36 7.185 12.649 9.968 1.00 62.33 C ATOM 534 O TRP A 36 8.277 12.807 10.512 1.00 1.45 O ATOM 535 CB TRP A 36 5.888 14.101 11.523 1.00 52.43 C ATOM 536 CG TRP A 36 5.429 12.952 12.369 1.00 41.11 C ATOM 537 CD1 TRP A 36 4.138 12.593 12.624 1.00 21.41 C ATOM 538 CD2 TRP A 36 6.254 12.013 13.068 1.00 13.21 C ATOM 539 NE1 TRP A 36 4.107 11.481 13.429 1.00 33.33 N ATOM 540 CE2 TRP A 36 5.394 11.108 13.720 1.00 14.12 C ATOM 541 CE3 TRP A 36 7.635 11.847 13.205 1.00 31.24 C ATOM 542 CZ2 TRP A 36 5.871 10.054 14.495 1.00 12.14 C ATOM 543 CZ3 TRP A 36 8.107 10.801 13.976 1.00 62.31 C ATOM 544 CH2 TRP A 36 7.227 9.916 14.612 1.00 0.12 C ATOM 0 H TRP A 36 4.343 12.584 10.065 1.00 31.21 H new ATOM 0 HA TRP A 36 6.438 14.589 9.495 1.00 75.21 H new ATOM 0 HB2 TRP A 36 6.819 14.495 11.930 1.00 52.43 H new ATOM 0 HB3 TRP A 36 5.151 14.902 11.579 1.00 52.43 H new ATOM 0 HD1 TRP A 36 3.267 13.108 12.247 1.00 21.41 H new ATOM 0 HE1 TRP A 36 3.264 11.009 13.757 1.00 33.33 H new ATOM 0 HE3 TRP A 36 8.321 12.524 12.717 1.00 31.24 H new ATOM 0 HZ2 TRP A 36 5.195 9.370 14.986 1.00 12.14 H new ATOM 0 HZ3 TRP A 36 9.172 10.664 14.090 1.00 62.31 H new ATOM 0 HH2 TRP A 36 7.627 9.108 15.207 1.00 0.12 H new ATOM 555 N CYS A 37 6.871 11.558 9.284 1.00 12.21 N ATOM 556 CA CYS A 37 7.813 10.456 9.128 1.00 73.34 C ATOM 557 C CYS A 37 8.744 10.688 7.944 1.00 74.40 C ATOM 558 O CYS A 37 8.302 10.759 6.798 1.00 21.03 O ATOM 559 CB CYS A 37 7.058 9.138 8.944 1.00 61.20 C ATOM 560 SG CYS A 37 7.770 7.747 9.853 1.00 11.22 S ATOM 0 H CYS A 37 5.971 11.411 8.827 1.00 12.21 H new ATOM 0 HA CYS A 37 8.418 10.403 10.033 1.00 73.34 H new ATOM 0 HB2 CYS A 37 6.025 9.276 9.263 1.00 61.20 H new ATOM 0 HB3 CYS A 37 7.034 8.891 7.883 1.00 61.20 H new ATOM 0 HG CYS A 37 7.915 6.734 9.052 1.00 11.22 H new ATOM 566 N GLY A 38 10.037 10.795 8.227 1.00 73.01 N ATOM 567 CA GLY A 38 11.009 11.005 7.171 1.00 54.25 C ATOM 568 C GLY A 38 11.163 9.788 6.278 1.00 23.12 C ATOM 569 O GLY A 38 11.750 9.872 5.200 1.00 65.32 O ATOM 0 H GLY A 38 10.429 10.740 9.167 1.00 73.01 H new ATOM 0 HA2 GLY A 38 10.706 11.860 6.567 1.00 54.25 H new ATOM 0 HA3 GLY A 38 11.974 11.253 7.613 1.00 54.25 H new ATOM 573 N HIS A 39 10.634 8.652 6.729 1.00 2.33 N ATOM 574 CA HIS A 39 10.715 7.414 5.964 1.00 41.12 C ATOM 575 C HIS A 39 9.668 7.388 4.856 1.00 11.52 C ATOM 576 O HIS A 39 9.965 7.021 3.719 1.00 25.14 O ATOM 577 CB HIS A 39 10.532 6.209 6.888 1.00 52.33 C ATOM 578 CG HIS A 39 11.595 6.093 7.936 1.00 24.32 C ATOM 579 ND1 HIS A 39 11.377 5.517 9.170 1.00 54.12 N ATOM 580 CD2 HIS A 39 12.892 6.485 7.929 1.00 21.12 C ATOM 581 CE1 HIS A 39 12.493 5.560 9.877 1.00 22.32 C ATOM 582 NE2 HIS A 39 13.426 6.142 9.147 1.00 30.33 N ATOM 0 H HIS A 39 10.145 8.566 7.620 1.00 2.33 H new ATOM 0 HA HIS A 39 11.702 7.363 5.504 1.00 41.12 H new ATOM 0 HB2 HIS A 39 9.559 6.279 7.375 1.00 52.33 H new ATOM 0 HB3 HIS A 39 10.524 5.299 6.288 1.00 52.33 H new ATOM 0 HD2 HIS A 39 13.409 6.975 7.118 1.00 21.12 H new ATOM 0 HE1 HIS A 39 12.620 5.183 10.881 1.00 22.32 H new ATOM 0 HE2 HIS A 39 14.388 6.310 9.440 1.00 30.33 H new ATOM 591 N CYS A 40 8.442 7.781 5.191 1.00 60.23 N ATOM 592 CA CYS A 40 7.359 7.802 4.214 1.00 12.10 C ATOM 593 C CYS A 40 7.687 8.758 3.076 1.00 73.23 C ATOM 594 O CYS A 40 7.444 8.458 1.907 1.00 34.22 O ATOM 595 CB CYS A 40 6.037 8.197 4.881 1.00 63.34 C ATOM 596 SG CYS A 40 5.927 9.939 5.356 1.00 13.53 S ATOM 0 H CYS A 40 8.175 8.088 6.127 1.00 60.23 H new ATOM 0 HA CYS A 40 7.249 6.799 3.803 1.00 12.10 H new ATOM 0 HB2 CYS A 40 5.218 7.967 4.200 1.00 63.34 H new ATOM 0 HB3 CYS A 40 5.895 7.582 5.769 1.00 63.34 H new ATOM 0 HG CYS A 40 4.977 10.091 6.230 1.00 13.53 H new ATOM 602 N LYS A 41 8.245 9.907 3.430 1.00 21.23 N ATOM 603 CA LYS A 41 8.620 10.918 2.443 1.00 10.33 C ATOM 604 C LYS A 41 9.464 10.308 1.324 1.00 54.14 C ATOM 605 O LYS A 41 9.477 10.808 0.199 1.00 74.52 O ATOM 606 CB LYS A 41 9.391 12.055 3.115 1.00 51.31 C ATOM 607 CG LYS A 41 8.677 12.648 4.318 1.00 32.41 C ATOM 608 CD LYS A 41 8.957 14.135 4.455 1.00 32.30 C ATOM 609 CE LYS A 41 10.062 14.403 5.463 1.00 55.12 C ATOM 610 NZ LYS A 41 10.678 15.745 5.269 1.00 20.54 N ATOM 0 H LYS A 41 8.450 10.166 4.395 1.00 21.23 H new ATOM 0 HA LYS A 41 7.704 11.315 2.005 1.00 10.33 H new ATOM 0 HB2 LYS A 41 10.367 11.685 3.429 1.00 51.31 H new ATOM 0 HB3 LYS A 41 9.569 12.844 2.384 1.00 51.31 H new ATOM 0 HG2 LYS A 41 7.603 12.486 4.221 1.00 32.41 H new ATOM 0 HG3 LYS A 41 8.997 12.132 5.223 1.00 32.41 H new ATOM 0 HD2 LYS A 41 9.241 14.544 3.485 1.00 32.30 H new ATOM 0 HD3 LYS A 41 8.048 14.651 4.764 1.00 32.30 H new ATOM 0 HE2 LYS A 41 9.657 14.332 6.473 1.00 55.12 H new ATOM 0 HE3 LYS A 41 10.830 13.635 5.373 1.00 55.12 H new ATOM 0 HZ1 LYS A 41 11.427 15.889 5.976 1.00 20.54 H new ATOM 0 HZ2 LYS A 41 11.087 15.805 4.315 1.00 20.54 H new ATOM 0 HZ3 LYS A 41 9.951 16.480 5.381 1.00 20.54 H new ATOM 624 N ALA A 42 10.163 9.221 1.641 1.00 53.53 N ATOM 625 CA ALA A 42 11.004 8.535 0.665 1.00 63.24 C ATOM 626 C ALA A 42 10.199 7.508 -0.120 1.00 22.20 C ATOM 627 O ALA A 42 10.583 7.102 -1.217 1.00 35.20 O ATOM 628 CB ALA A 42 12.163 7.856 1.367 1.00 71.23 C ATOM 0 H ALA A 42 10.163 8.796 2.568 1.00 53.53 H new ATOM 0 HA ALA A 42 11.390 9.276 -0.035 1.00 63.24 H new ATOM 0 HB1 ALA A 42 12.786 7.346 0.632 1.00 71.23 H new ATOM 0 HB2 ALA A 42 12.759 8.603 1.892 1.00 71.23 H new ATOM 0 HB3 ALA A 42 11.779 7.130 2.083 1.00 71.23 H new ATOM 634 N LEU A 43 9.083 7.090 0.463 1.00 3.15 N ATOM 635 CA LEU A 43 8.198 6.107 -0.152 1.00 50.12 C ATOM 636 C LEU A 43 7.254 6.771 -1.149 1.00 0.15 C ATOM 637 O LEU A 43 6.882 6.189 -2.165 1.00 25.30 O ATOM 638 CB LEU A 43 7.376 5.414 0.936 1.00 20.44 C ATOM 639 CG LEU A 43 8.168 4.576 1.952 1.00 62.22 C ATOM 640 CD1 LEU A 43 7.589 3.176 2.053 1.00 75.32 C ATOM 641 CD2 LEU A 43 9.647 4.510 1.591 1.00 41.04 C ATOM 0 H LEU A 43 8.765 7.422 1.374 1.00 3.15 H new ATOM 0 HA LEU A 43 8.809 5.378 -0.684 1.00 50.12 H new ATOM 0 HB2 LEU A 43 6.817 6.175 1.481 1.00 20.44 H new ATOM 0 HB3 LEU A 43 6.645 4.766 0.453 1.00 20.44 H new ATOM 0 HG LEU A 43 8.082 5.066 2.922 1.00 62.22 H new ATOM 0 HD11 LEU A 43 8.162 2.597 2.777 1.00 75.32 H new ATOM 0 HD12 LEU A 43 6.550 3.235 2.376 1.00 75.32 H new ATOM 0 HD13 LEU A 43 7.639 2.690 1.078 1.00 75.32 H new ATOM 0 HD21 LEU A 43 10.176 3.909 2.331 1.00 41.04 H new ATOM 0 HD22 LEU A 43 9.761 4.056 0.607 1.00 41.04 H new ATOM 0 HD23 LEU A 43 10.063 5.517 1.577 1.00 41.04 H new ATOM 653 N ALA A 44 6.877 7.996 -0.837 1.00 71.13 N ATOM 654 CA ALA A 44 5.975 8.784 -1.669 1.00 14.25 C ATOM 655 C ALA A 44 6.275 8.635 -3.155 1.00 34.31 C ATOM 656 O ALA A 44 5.367 8.444 -3.960 1.00 74.45 O ATOM 657 CB ALA A 44 6.074 10.241 -1.278 1.00 30.41 C ATOM 0 H ALA A 44 7.188 8.480 0.006 1.00 71.13 H new ATOM 0 HA ALA A 44 4.965 8.411 -1.501 1.00 14.25 H new ATOM 0 HB1 ALA A 44 5.400 10.831 -1.899 1.00 30.41 H new ATOM 0 HB2 ALA A 44 5.796 10.356 -0.230 1.00 30.41 H new ATOM 0 HB3 ALA A 44 7.097 10.588 -1.422 1.00 30.41 H new ATOM 663 N PRO A 45 7.556 8.721 -3.542 1.00 75.14 N ATOM 664 CA PRO A 45 7.956 8.593 -4.938 1.00 70.44 C ATOM 665 C PRO A 45 7.699 7.202 -5.463 1.00 62.41 C ATOM 666 O PRO A 45 7.328 7.014 -6.622 1.00 14.35 O ATOM 667 CB PRO A 45 9.457 8.864 -4.936 1.00 11.31 C ATOM 668 CG PRO A 45 9.787 9.396 -3.584 1.00 74.31 C ATOM 669 CD PRO A 45 8.706 8.936 -2.656 1.00 42.31 C ATOM 0 HA PRO A 45 7.394 9.277 -5.574 1.00 70.44 H new ATOM 0 HB2 PRO A 45 10.017 7.951 -5.141 1.00 11.31 H new ATOM 0 HB3 PRO A 45 9.723 9.582 -5.711 1.00 11.31 H new ATOM 0 HG2 PRO A 45 10.760 9.032 -3.253 1.00 74.31 H new ATOM 0 HG3 PRO A 45 9.843 10.484 -3.601 1.00 74.31 H new ATOM 0 HD2 PRO A 45 8.987 8.020 -2.136 1.00 42.31 H new ATOM 0 HD3 PRO A 45 8.489 9.683 -1.892 1.00 42.31 H new ATOM 677 N LYS A 46 7.890 6.228 -4.593 1.00 20.24 N ATOM 678 CA LYS A 46 7.665 4.836 -4.973 1.00 25.04 C ATOM 679 C LYS A 46 6.188 4.550 -5.008 1.00 42.02 C ATOM 680 O LYS A 46 5.717 3.728 -5.778 1.00 64.24 O ATOM 681 CB LYS A 46 8.336 3.869 -3.995 1.00 30.13 C ATOM 682 CG LYS A 46 7.463 3.496 -2.801 1.00 4.35 C ATOM 683 CD LYS A 46 8.280 3.200 -1.560 1.00 52.40 C ATOM 684 CE LYS A 46 8.456 1.704 -1.355 1.00 65.44 C ATOM 685 NZ LYS A 46 8.896 1.378 0.028 1.00 23.32 N ATOM 0 H LYS A 46 8.196 6.366 -3.630 1.00 20.24 H new ATOM 0 HA LYS A 46 8.103 4.688 -5.960 1.00 25.04 H new ATOM 0 HB2 LYS A 46 8.612 2.960 -4.529 1.00 30.13 H new ATOM 0 HB3 LYS A 46 9.260 4.318 -3.631 1.00 30.13 H new ATOM 0 HG2 LYS A 46 6.771 4.311 -2.591 1.00 4.35 H new ATOM 0 HG3 LYS A 46 6.861 2.623 -3.053 1.00 4.35 H new ATOM 0 HD2 LYS A 46 9.258 3.675 -1.645 1.00 52.40 H new ATOM 0 HD3 LYS A 46 7.790 3.633 -0.688 1.00 52.40 H new ATOM 0 HE2 LYS A 46 7.515 1.196 -1.565 1.00 65.44 H new ATOM 0 HE3 LYS A 46 9.189 1.324 -2.067 1.00 65.44 H new ATOM 0 HZ1 LYS A 46 9.566 0.583 0.001 1.00 23.32 H new ATOM 0 HZ2 LYS A 46 9.360 2.208 0.449 1.00 23.32 H new ATOM 0 HZ3 LYS A 46 8.070 1.114 0.602 1.00 23.32 H new ATOM 699 N TYR A 47 5.468 5.228 -4.150 1.00 61.23 N ATOM 700 CA TYR A 47 4.039 5.031 -4.059 1.00 23.14 C ATOM 701 C TYR A 47 3.301 5.827 -5.121 1.00 2.14 C ATOM 702 O TYR A 47 2.208 5.452 -5.543 1.00 1.03 O ATOM 703 CB TYR A 47 3.555 5.374 -2.657 1.00 43.44 C ATOM 704 CG TYR A 47 3.062 4.156 -1.921 1.00 40.11 C ATOM 705 CD1 TYR A 47 3.823 2.995 -1.903 1.00 74.31 C ATOM 706 CD2 TYR A 47 1.839 4.152 -1.272 1.00 32.01 C ATOM 707 CE1 TYR A 47 3.378 1.861 -1.254 1.00 13.43 C ATOM 708 CE2 TYR A 47 1.384 3.022 -0.622 1.00 25.32 C ATOM 709 CZ TYR A 47 2.157 1.879 -0.616 1.00 43.13 C ATOM 710 OH TYR A 47 1.706 0.749 0.029 1.00 24.45 O ATOM 0 H TYR A 47 5.845 5.921 -3.504 1.00 61.23 H new ATOM 0 HA TYR A 47 3.820 3.980 -4.247 1.00 23.14 H new ATOM 0 HB2 TYR A 47 4.367 5.834 -2.095 1.00 43.44 H new ATOM 0 HB3 TYR A 47 2.753 6.110 -2.719 1.00 43.44 H new ATOM 0 HD1 TYR A 47 4.779 2.979 -2.405 1.00 74.31 H new ATOM 0 HD2 TYR A 47 1.232 5.045 -1.274 1.00 32.01 H new ATOM 0 HE1 TYR A 47 3.983 0.966 -1.246 1.00 13.43 H new ATOM 0 HE2 TYR A 47 0.428 3.033 -0.121 1.00 25.32 H new ATOM 0 HH TYR A 47 0.729 0.783 0.103 1.00 24.45 H new ATOM 720 N GLU A 48 3.914 6.908 -5.572 1.00 24.14 N ATOM 721 CA GLU A 48 3.319 7.730 -6.609 1.00 22.24 C ATOM 722 C GLU A 48 3.567 7.109 -7.977 1.00 54.31 C ATOM 723 O GLU A 48 2.731 7.197 -8.868 1.00 22.41 O ATOM 724 CB GLU A 48 3.887 9.148 -6.575 1.00 13.13 C ATOM 725 CG GLU A 48 3.359 9.992 -5.425 1.00 10.32 C ATOM 726 CD GLU A 48 2.867 11.353 -5.877 1.00 51.13 C ATOM 727 OE1 GLU A 48 1.696 11.451 -6.299 1.00 72.33 O ATOM 728 OE2 GLU A 48 3.654 12.321 -5.810 1.00 52.11 O ATOM 0 H GLU A 48 4.820 7.235 -5.237 1.00 24.14 H new ATOM 0 HA GLU A 48 2.246 7.783 -6.426 1.00 22.24 H new ATOM 0 HB2 GLU A 48 4.973 9.093 -6.504 1.00 13.13 H new ATOM 0 HB3 GLU A 48 3.654 9.646 -7.516 1.00 13.13 H new ATOM 0 HG2 GLU A 48 2.544 9.460 -4.934 1.00 10.32 H new ATOM 0 HG3 GLU A 48 4.147 10.123 -4.684 1.00 10.32 H new ATOM 735 N GLU A 49 4.726 6.477 -8.129 1.00 54.44 N ATOM 736 CA GLU A 49 5.096 5.841 -9.391 1.00 42.11 C ATOM 737 C GLU A 49 4.640 4.388 -9.432 1.00 51.34 C ATOM 738 O GLU A 49 4.154 3.907 -10.457 1.00 33.31 O ATOM 739 CB GLU A 49 6.610 5.916 -9.597 1.00 61.51 C ATOM 740 CG GLU A 49 7.175 7.319 -9.456 1.00 11.24 C ATOM 741 CD GLU A 49 8.662 7.322 -9.157 1.00 61.31 C ATOM 742 OE1 GLU A 49 9.417 6.658 -9.898 1.00 22.31 O ATOM 743 OE2 GLU A 49 9.070 7.986 -8.181 1.00 30.35 O ATOM 0 H GLU A 49 5.427 6.391 -7.393 1.00 54.44 H new ATOM 0 HA GLU A 49 4.595 6.379 -10.196 1.00 42.11 H new ATOM 0 HB2 GLU A 49 7.099 5.262 -8.875 1.00 61.51 H new ATOM 0 HB3 GLU A 49 6.853 5.534 -10.589 1.00 61.51 H new ATOM 0 HG2 GLU A 49 6.992 7.874 -10.376 1.00 11.24 H new ATOM 0 HG3 GLU A 49 6.647 7.841 -8.658 1.00 11.24 H new ATOM 750 N LEU A 50 4.780 3.698 -8.307 1.00 55.33 N ATOM 751 CA LEU A 50 4.368 2.310 -8.207 1.00 62.33 C ATOM 752 C LEU A 50 2.871 2.261 -8.062 1.00 53.01 C ATOM 753 O LEU A 50 2.193 1.396 -8.609 1.00 72.22 O ATOM 754 CB LEU A 50 5.031 1.669 -6.995 1.00 53.34 C ATOM 755 CG LEU A 50 5.137 0.137 -6.994 1.00 31.31 C ATOM 756 CD1 LEU A 50 3.926 -0.479 -6.313 1.00 73.44 C ATOM 757 CD2 LEU A 50 5.288 -0.409 -8.407 1.00 32.53 C ATOM 0 H LEU A 50 5.178 4.082 -7.450 1.00 55.33 H new ATOM 0 HA LEU A 50 4.667 1.764 -9.101 1.00 62.33 H new ATOM 0 HB2 LEU A 50 6.036 2.079 -6.901 1.00 53.34 H new ATOM 0 HB3 LEU A 50 4.479 1.972 -6.106 1.00 53.34 H new ATOM 0 HG LEU A 50 6.031 -0.135 -6.433 1.00 31.31 H new ATOM 0 HD11 LEU A 50 4.017 -1.565 -6.321 1.00 73.44 H new ATOM 0 HD12 LEU A 50 3.870 -0.127 -5.283 1.00 73.44 H new ATOM 0 HD13 LEU A 50 3.021 -0.187 -6.846 1.00 73.44 H new ATOM 0 HD21 LEU A 50 5.360 -1.496 -8.371 1.00 32.53 H new ATOM 0 HD22 LEU A 50 4.421 -0.122 -9.002 1.00 32.53 H new ATOM 0 HD23 LEU A 50 6.191 0.000 -8.861 1.00 32.53 H new ATOM 769 N GLY A 51 2.367 3.219 -7.313 1.00 23.21 N ATOM 770 CA GLY A 51 0.946 3.300 -7.095 1.00 32.42 C ATOM 771 C GLY A 51 0.205 3.789 -8.307 1.00 21.41 C ATOM 772 O GLY A 51 -0.822 3.234 -8.681 1.00 20.22 O ATOM 0 H GLY A 51 2.917 3.943 -6.851 1.00 23.21 H new ATOM 0 HA2 GLY A 51 0.568 2.317 -6.814 1.00 32.42 H new ATOM 0 HA3 GLY A 51 0.748 3.969 -6.257 1.00 32.42 H new ATOM 776 N ALA A 52 0.731 4.830 -8.924 1.00 74.32 N ATOM 777 CA ALA A 52 0.115 5.391 -10.114 1.00 34.41 C ATOM 778 C ALA A 52 0.034 4.340 -11.205 1.00 53.51 C ATOM 779 O ALA A 52 -1.019 4.120 -11.802 1.00 24.53 O ATOM 780 CB ALA A 52 0.900 6.597 -10.589 1.00 21.31 C ATOM 0 H ALA A 52 1.582 5.305 -8.622 1.00 74.32 H new ATOM 0 HA ALA A 52 -0.897 5.714 -9.871 1.00 34.41 H new ATOM 0 HB1 ALA A 52 0.429 7.009 -11.481 1.00 21.31 H new ATOM 0 HB2 ALA A 52 0.915 7.353 -9.804 1.00 21.31 H new ATOM 0 HB3 ALA A 52 1.921 6.297 -10.823 1.00 21.31 H new ATOM 786 N LEU A 53 1.150 3.672 -11.446 1.00 5.04 N ATOM 787 CA LEU A 53 1.191 2.630 -12.456 1.00 63.21 C ATOM 788 C LEU A 53 0.197 1.535 -12.116 1.00 15.14 C ATOM 789 O LEU A 53 -0.542 1.054 -12.975 1.00 42.51 O ATOM 790 CB LEU A 53 2.604 2.056 -12.570 1.00 31.14 C ATOM 791 CG LEU A 53 2.996 1.002 -11.532 1.00 72.33 C ATOM 792 CD1 LEU A 53 2.392 -0.353 -11.876 1.00 21.32 C ATOM 793 CD2 LEU A 53 4.512 0.901 -11.435 1.00 32.33 C ATOM 0 H LEU A 53 2.033 3.831 -10.960 1.00 5.04 H new ATOM 0 HA LEU A 53 0.917 3.062 -13.419 1.00 63.21 H new ATOM 0 HB2 LEU A 53 2.715 1.617 -13.561 1.00 31.14 H new ATOM 0 HB3 LEU A 53 3.314 2.880 -12.505 1.00 31.14 H new ATOM 0 HG LEU A 53 2.601 1.310 -10.564 1.00 72.33 H new ATOM 0 HD11 LEU A 53 2.686 -1.084 -11.123 1.00 21.32 H new ATOM 0 HD12 LEU A 53 1.305 -0.272 -11.898 1.00 21.32 H new ATOM 0 HD13 LEU A 53 2.752 -0.674 -12.853 1.00 21.32 H new ATOM 0 HD21 LEU A 53 4.780 0.148 -10.694 1.00 32.33 H new ATOM 0 HD22 LEU A 53 4.920 0.617 -12.405 1.00 32.33 H new ATOM 0 HD23 LEU A 53 4.923 1.866 -11.137 1.00 32.33 H new ATOM 805 N TYR A 54 0.187 1.147 -10.853 1.00 1.54 N ATOM 806 CA TYR A 54 -0.721 0.104 -10.391 1.00 34.11 C ATOM 807 C TYR A 54 -2.168 0.588 -10.376 1.00 70.15 C ATOM 808 O TYR A 54 -3.096 -0.217 -10.418 1.00 54.54 O ATOM 809 CB TYR A 54 -0.316 -0.380 -9.001 1.00 11.35 C ATOM 810 CG TYR A 54 0.540 -1.622 -9.035 1.00 31.32 C ATOM 811 CD1 TYR A 54 0.047 -2.814 -9.551 1.00 13.35 C ATOM 812 CD2 TYR A 54 1.844 -1.602 -8.564 1.00 14.11 C ATOM 813 CE1 TYR A 54 0.831 -3.950 -9.592 1.00 12.41 C ATOM 814 CE2 TYR A 54 2.635 -2.731 -8.603 1.00 11.43 C ATOM 815 CZ TYR A 54 2.125 -3.904 -9.117 1.00 43.43 C ATOM 816 OH TYR A 54 2.910 -5.033 -9.157 1.00 74.34 O ATOM 0 H TYR A 54 0.793 1.534 -10.130 1.00 1.54 H new ATOM 0 HA TYR A 54 -0.651 -0.727 -11.092 1.00 34.11 H new ATOM 0 HB2 TYR A 54 0.227 0.415 -8.490 1.00 11.35 H new ATOM 0 HB3 TYR A 54 -1.214 -0.580 -8.416 1.00 11.35 H new ATOM 0 HD1 TYR A 54 -0.965 -2.853 -9.926 1.00 13.35 H new ATOM 0 HD2 TYR A 54 2.248 -0.686 -8.159 1.00 14.11 H new ATOM 0 HE1 TYR A 54 0.433 -4.870 -9.994 1.00 12.41 H new ATOM 0 HE2 TYR A 54 3.649 -2.696 -8.233 1.00 11.43 H new ATOM 0 HH TYR A 54 2.354 -5.824 -8.997 1.00 74.34 H new ATOM 826 N ALA A 55 -2.355 1.903 -10.299 1.00 21.21 N ATOM 827 CA ALA A 55 -3.695 2.486 -10.263 1.00 3.44 C ATOM 828 C ALA A 55 -4.053 3.209 -11.567 1.00 5.13 C ATOM 829 O ALA A 55 -5.045 3.937 -11.621 1.00 74.31 O ATOM 830 CB ALA A 55 -3.811 3.445 -9.088 1.00 34.11 C ATOM 0 H ALA A 55 -1.597 2.585 -10.260 1.00 21.21 H new ATOM 0 HA ALA A 55 -4.403 1.666 -10.143 1.00 3.44 H new ATOM 0 HB1 ALA A 55 -4.812 3.876 -9.067 1.00 34.11 H new ATOM 0 HB2 ALA A 55 -3.629 2.905 -8.159 1.00 34.11 H new ATOM 0 HB3 ALA A 55 -3.075 4.242 -9.195 1.00 34.11 H new ATOM 836 N LYS A 56 -3.248 3.020 -12.611 1.00 4.24 N ATOM 837 CA LYS A 56 -3.499 3.673 -13.895 1.00 4.42 C ATOM 838 C LYS A 56 -3.141 2.768 -15.073 1.00 44.15 C ATOM 839 O LYS A 56 -3.881 2.694 -16.055 1.00 51.42 O ATOM 840 CB LYS A 56 -2.703 4.976 -13.988 1.00 22.22 C ATOM 841 CG LYS A 56 -3.520 6.151 -14.495 1.00 10.21 C ATOM 842 CD LYS A 56 -4.285 6.827 -13.369 1.00 4.24 C ATOM 843 CE LYS A 56 -3.345 7.497 -12.379 1.00 65.32 C ATOM 844 NZ LYS A 56 -3.857 8.823 -11.938 1.00 32.21 N ATOM 0 H LYS A 56 -2.421 2.424 -12.594 1.00 4.24 H new ATOM 0 HA LYS A 56 -4.566 3.889 -13.948 1.00 4.42 H new ATOM 0 HB2 LYS A 56 -2.304 5.219 -13.003 1.00 22.22 H new ATOM 0 HB3 LYS A 56 -1.850 4.825 -14.649 1.00 22.22 H new ATOM 0 HG2 LYS A 56 -2.860 6.875 -14.973 1.00 10.21 H new ATOM 0 HG3 LYS A 56 -4.220 5.807 -15.256 1.00 10.21 H new ATOM 0 HD2 LYS A 56 -4.966 7.569 -13.785 1.00 4.24 H new ATOM 0 HD3 LYS A 56 -4.897 6.089 -12.849 1.00 4.24 H new ATOM 0 HE2 LYS A 56 -3.213 6.852 -11.510 1.00 65.32 H new ATOM 0 HE3 LYS A 56 -2.364 7.621 -12.837 1.00 65.32 H new ATOM 0 HZ1 LYS A 56 -3.188 9.247 -11.264 1.00 32.21 H new ATOM 0 HZ2 LYS A 56 -3.960 9.448 -12.763 1.00 32.21 H new ATOM 0 HZ3 LYS A 56 -4.782 8.703 -11.478 1.00 32.21 H new ATOM 858 N SER A 57 -1.998 2.095 -14.977 1.00 21.53 N ATOM 859 CA SER A 57 -1.534 1.207 -16.041 1.00 44.53 C ATOM 860 C SER A 57 -2.549 0.091 -16.317 1.00 60.45 C ATOM 861 O SER A 57 -3.752 0.281 -16.141 1.00 54.40 O ATOM 862 CB SER A 57 -0.169 0.616 -15.671 1.00 10.34 C ATOM 863 OG SER A 57 0.656 0.474 -16.815 1.00 42.20 O ATOM 0 H SER A 57 -1.374 2.147 -14.172 1.00 21.53 H new ATOM 0 HA SER A 57 -1.431 1.792 -16.955 1.00 44.53 H new ATOM 0 HB2 SER A 57 0.323 1.260 -14.942 1.00 10.34 H new ATOM 0 HB3 SER A 57 -0.307 -0.355 -15.196 1.00 10.34 H new ATOM 0 HG SER A 57 1.521 0.097 -16.550 1.00 42.20 H new ATOM 869 N GLU A 58 -2.062 -1.071 -16.757 1.00 55.23 N ATOM 870 CA GLU A 58 -2.935 -2.203 -17.061 1.00 22.24 C ATOM 871 C GLU A 58 -3.317 -2.979 -15.801 1.00 31.15 C ATOM 872 O GLU A 58 -3.744 -4.131 -15.880 1.00 31.23 O ATOM 873 CB GLU A 58 -2.253 -3.139 -18.060 1.00 12.33 C ATOM 874 CG GLU A 58 -1.595 -2.413 -19.221 1.00 25.21 C ATOM 875 CD GLU A 58 -2.267 -2.703 -20.549 1.00 5.30 C ATOM 876 OE1 GLU A 58 -3.418 -2.257 -20.742 1.00 25.24 O ATOM 877 OE2 GLU A 58 -1.643 -3.376 -21.396 1.00 24.30 O ATOM 0 H GLU A 58 -1.070 -1.251 -16.910 1.00 55.23 H new ATOM 0 HA GLU A 58 -3.850 -1.805 -17.499 1.00 22.24 H new ATOM 0 HB2 GLU A 58 -1.500 -3.729 -17.537 1.00 12.33 H new ATOM 0 HB3 GLU A 58 -2.991 -3.839 -18.451 1.00 12.33 H new ATOM 0 HG2 GLU A 58 -1.619 -1.340 -19.033 1.00 25.21 H new ATOM 0 HG3 GLU A 58 -0.546 -2.703 -19.278 1.00 25.21 H new ATOM 884 N PHE A 59 -3.176 -2.344 -14.642 1.00 74.45 N ATOM 885 CA PHE A 59 -3.521 -2.977 -13.374 1.00 21.52 C ATOM 886 C PHE A 59 -4.214 -1.978 -12.452 1.00 53.04 C ATOM 887 O PHE A 59 -4.317 -2.198 -11.246 1.00 13.31 O ATOM 888 CB PHE A 59 -2.273 -3.539 -12.689 1.00 12.03 C ATOM 889 CG PHE A 59 -1.233 -4.052 -13.645 1.00 35.24 C ATOM 890 CD1 PHE A 59 -1.365 -5.304 -14.225 1.00 22.34 C ATOM 891 CD2 PHE A 59 -0.126 -3.283 -13.964 1.00 63.25 C ATOM 892 CE1 PHE A 59 -0.411 -5.779 -15.105 1.00 44.50 C ATOM 893 CE2 PHE A 59 0.832 -3.753 -14.843 1.00 73.00 C ATOM 894 CZ PHE A 59 0.689 -5.002 -15.415 1.00 33.14 C ATOM 0 H PHE A 59 -2.825 -1.390 -14.555 1.00 74.45 H new ATOM 0 HA PHE A 59 -4.204 -3.801 -13.582 1.00 21.52 H new ATOM 0 HB2 PHE A 59 -1.829 -2.761 -12.068 1.00 12.03 H new ATOM 0 HB3 PHE A 59 -2.570 -4.348 -12.022 1.00 12.03 H new ATOM 0 HD1 PHE A 59 -2.223 -5.915 -13.987 1.00 22.34 H new ATOM 0 HD2 PHE A 59 -0.010 -2.305 -13.521 1.00 63.25 H new ATOM 0 HE1 PHE A 59 -0.525 -6.756 -15.550 1.00 44.50 H new ATOM 0 HE2 PHE A 59 1.691 -3.144 -15.082 1.00 73.00 H new ATOM 0 HZ PHE A 59 1.435 -5.371 -16.103 1.00 33.14 H new ATOM 904 N LYS A 60 -4.691 -0.880 -13.034 1.00 35.11 N ATOM 905 CA LYS A 60 -5.378 0.156 -12.277 1.00 12.50 C ATOM 906 C LYS A 60 -6.604 -0.409 -11.563 1.00 53.32 C ATOM 907 O LYS A 60 -7.093 0.173 -10.594 1.00 1.45 O ATOM 908 CB LYS A 60 -5.787 1.291 -13.209 1.00 4.42 C ATOM 909 CG LYS A 60 -6.733 0.850 -14.307 1.00 41.52 C ATOM 910 CD LYS A 60 -7.637 1.985 -14.759 1.00 11.45 C ATOM 911 CE LYS A 60 -8.273 1.689 -16.107 1.00 63.33 C ATOM 912 NZ LYS A 60 -9.684 1.236 -15.968 1.00 32.12 N ATOM 0 H LYS A 60 -4.612 -0.687 -14.033 1.00 35.11 H new ATOM 0 HA LYS A 60 -4.695 0.541 -11.520 1.00 12.50 H new ATOM 0 HB2 LYS A 60 -6.261 2.079 -12.625 1.00 4.42 H new ATOM 0 HB3 LYS A 60 -4.893 1.722 -13.660 1.00 4.42 H new ATOM 0 HG2 LYS A 60 -6.158 0.482 -15.157 1.00 41.52 H new ATOM 0 HG3 LYS A 60 -7.342 0.019 -13.951 1.00 41.52 H new ATOM 0 HD2 LYS A 60 -8.417 2.148 -14.016 1.00 11.45 H new ATOM 0 HD3 LYS A 60 -7.060 2.908 -14.823 1.00 11.45 H new ATOM 0 HE2 LYS A 60 -8.239 2.584 -16.729 1.00 63.33 H new ATOM 0 HE3 LYS A 60 -7.694 0.921 -16.621 1.00 63.33 H new ATOM 0 HZ1 LYS A 60 -10.082 1.045 -16.910 1.00 32.12 H new ATOM 0 HZ2 LYS A 60 -9.715 0.368 -15.396 1.00 32.12 H new ATOM 0 HZ3 LYS A 60 -10.243 1.979 -15.501 1.00 32.12 H new ATOM 926 N ASP A 61 -7.085 -1.554 -12.037 1.00 63.52 N ATOM 927 CA ASP A 61 -8.240 -2.210 -11.435 1.00 24.02 C ATOM 928 C ASP A 61 -7.796 -3.449 -10.665 1.00 52.43 C ATOM 929 O ASP A 61 -8.538 -3.990 -9.845 1.00 2.45 O ATOM 930 CB ASP A 61 -9.257 -2.595 -12.511 1.00 61.12 C ATOM 931 CG ASP A 61 -10.688 -2.398 -12.050 1.00 13.52 C ATOM 932 OD1 ASP A 61 -10.954 -1.400 -11.349 1.00 23.44 O ATOM 933 OD2 ASP A 61 -11.543 -3.243 -12.390 1.00 30.32 O ATOM 0 H ASP A 61 -6.691 -2.048 -12.838 1.00 63.52 H new ATOM 0 HA ASP A 61 -8.714 -1.514 -10.743 1.00 24.02 H new ATOM 0 HB2 ASP A 61 -9.080 -1.997 -13.405 1.00 61.12 H new ATOM 0 HB3 ASP A 61 -9.109 -3.638 -12.791 1.00 61.12 H new ATOM 938 N ARG A 62 -6.570 -3.884 -10.939 1.00 74.15 N ATOM 939 CA ARG A 62 -5.991 -5.046 -10.289 1.00 30.21 C ATOM 940 C ARG A 62 -5.367 -4.646 -8.951 1.00 43.41 C ATOM 941 O ARG A 62 -5.873 -3.754 -8.270 1.00 13.43 O ATOM 942 CB ARG A 62 -4.946 -5.670 -11.214 1.00 63.22 C ATOM 943 CG ARG A 62 -4.865 -7.183 -11.112 1.00 63.51 C ATOM 944 CD ARG A 62 -3.598 -7.721 -11.757 1.00 55.34 C ATOM 945 NE ARG A 62 -3.875 -8.832 -12.666 1.00 33.12 N ATOM 946 CZ ARG A 62 -4.484 -8.694 -13.841 1.00 32.42 C ATOM 947 NH1 ARG A 62 -4.877 -7.496 -14.256 1.00 51.31 N ATOM 948 NH2 ARG A 62 -4.698 -9.756 -14.605 1.00 30.32 N ATOM 0 H ARG A 62 -5.953 -3.438 -11.618 1.00 74.15 H new ATOM 0 HA ARG A 62 -6.770 -5.781 -10.089 1.00 30.21 H new ATOM 0 HB2 ARG A 62 -5.176 -5.396 -12.244 1.00 63.22 H new ATOM 0 HB3 ARG A 62 -3.969 -5.246 -10.982 1.00 63.22 H new ATOM 0 HG2 ARG A 62 -4.894 -7.479 -10.064 1.00 63.51 H new ATOM 0 HG3 ARG A 62 -5.736 -7.628 -11.593 1.00 63.51 H new ATOM 0 HD2 ARG A 62 -3.102 -6.920 -12.305 1.00 55.34 H new ATOM 0 HD3 ARG A 62 -2.908 -8.051 -10.980 1.00 55.34 H new ATOM 0 HE ARG A 62 -3.584 -9.768 -12.383 1.00 33.12 H new ATOM 0 HH11 ARG A 62 -4.713 -6.675 -13.673 1.00 51.31 H new ATOM 0 HH12 ARG A 62 -5.343 -7.396 -15.158 1.00 51.31 H new ATOM 0 HH21 ARG A 62 -4.396 -10.679 -14.292 1.00 30.32 H new ATOM 0 HH22 ARG A 62 -5.165 -9.651 -15.506 1.00 30.32 H new ATOM 962 N VAL A 63 -4.267 -5.299 -8.576 1.00 5.03 N ATOM 963 CA VAL A 63 -3.589 -4.990 -7.321 1.00 24.54 C ATOM 964 C VAL A 63 -3.374 -3.484 -7.187 1.00 43.11 C ATOM 965 O VAL A 63 -2.648 -2.876 -7.974 1.00 13.12 O ATOM 966 CB VAL A 63 -2.229 -5.719 -7.231 1.00 31.41 C ATOM 967 CG1 VAL A 63 -1.460 -5.575 -8.533 1.00 3.53 C ATOM 968 CG2 VAL A 63 -1.399 -5.210 -6.059 1.00 23.12 C ATOM 0 H VAL A 63 -3.830 -6.041 -9.122 1.00 5.03 H new ATOM 0 HA VAL A 63 -4.224 -5.336 -6.506 1.00 24.54 H new ATOM 0 HB VAL A 63 -2.430 -6.776 -7.059 1.00 31.41 H new ATOM 0 HG11 VAL A 63 -0.505 -6.094 -8.451 1.00 3.53 H new ATOM 0 HG12 VAL A 63 -2.040 -6.008 -9.348 1.00 3.53 H new ATOM 0 HG13 VAL A 63 -1.282 -4.519 -8.736 1.00 3.53 H new ATOM 0 HG21 VAL A 63 -0.450 -5.745 -6.026 1.00 23.12 H new ATOM 0 HG22 VAL A 63 -1.211 -4.143 -6.182 1.00 23.12 H new ATOM 0 HG23 VAL A 63 -1.942 -5.377 -5.129 1.00 23.12 H new ATOM 978 N VAL A 64 -4.023 -2.888 -6.193 1.00 64.12 N ATOM 979 CA VAL A 64 -3.918 -1.454 -5.966 1.00 33.20 C ATOM 980 C VAL A 64 -3.025 -1.134 -4.773 1.00 54.35 C ATOM 981 O VAL A 64 -3.011 -1.860 -3.779 1.00 2.41 O ATOM 982 CB VAL A 64 -5.306 -0.827 -5.730 1.00 61.33 C ATOM 983 CG1 VAL A 64 -5.190 0.677 -5.526 1.00 71.13 C ATOM 984 CG2 VAL A 64 -6.240 -1.148 -6.887 1.00 23.14 C ATOM 0 H VAL A 64 -4.627 -3.377 -5.532 1.00 64.12 H new ATOM 0 HA VAL A 64 -3.472 -1.029 -6.865 1.00 33.20 H new ATOM 0 HB VAL A 64 -5.728 -1.258 -4.822 1.00 61.33 H new ATOM 0 HG11 VAL A 64 -6.181 1.099 -5.361 1.00 71.13 H new ATOM 0 HG12 VAL A 64 -4.561 0.879 -4.659 1.00 71.13 H new ATOM 0 HG13 VAL A 64 -4.745 1.131 -6.411 1.00 71.13 H new ATOM 0 HG21 VAL A 64 -7.215 -0.697 -6.703 1.00 23.14 H new ATOM 0 HG22 VAL A 64 -5.824 -0.748 -7.812 1.00 23.14 H new ATOM 0 HG23 VAL A 64 -6.351 -2.229 -6.976 1.00 23.14 H new ATOM 994 N ILE A 65 -2.295 -0.029 -4.877 1.00 53.13 N ATOM 995 CA ILE A 65 -1.412 0.411 -3.810 1.00 64.23 C ATOM 996 C ILE A 65 -2.161 1.342 -2.864 1.00 64.25 C ATOM 997 O ILE A 65 -2.534 2.448 -3.245 1.00 74.41 O ATOM 998 CB ILE A 65 -0.181 1.140 -4.383 1.00 34.00 C ATOM 999 CG1 ILE A 65 0.511 0.266 -5.432 1.00 43.52 C ATOM 1000 CG2 ILE A 65 0.791 1.518 -3.277 1.00 13.14 C ATOM 1001 CD1 ILE A 65 0.799 -1.143 -4.956 1.00 24.43 C ATOM 0 H ILE A 65 -2.300 0.580 -5.696 1.00 53.13 H new ATOM 0 HA ILE A 65 -1.074 -0.469 -3.263 1.00 64.23 H new ATOM 0 HB ILE A 65 -0.519 2.059 -4.861 1.00 34.00 H new ATOM 0 HG12 ILE A 65 -0.115 0.218 -6.323 1.00 43.52 H new ATOM 0 HG13 ILE A 65 1.448 0.739 -5.726 1.00 43.52 H new ATOM 0 HG21 ILE A 65 1.651 2.031 -3.708 1.00 13.14 H new ATOM 0 HG22 ILE A 65 0.294 2.177 -2.566 1.00 13.14 H new ATOM 0 HG23 ILE A 65 1.126 0.617 -2.763 1.00 13.14 H new ATOM 0 HD11 ILE A 65 1.290 -1.703 -5.752 1.00 24.43 H new ATOM 0 HD12 ILE A 65 1.451 -1.106 -4.083 1.00 24.43 H new ATOM 0 HD13 ILE A 65 -0.136 -1.635 -4.690 1.00 24.43 H new ATOM 1013 N ALA A 66 -2.402 0.881 -1.641 1.00 64.35 N ATOM 1014 CA ALA A 66 -3.135 1.683 -0.659 1.00 14.51 C ATOM 1015 C ALA A 66 -2.230 2.198 0.460 1.00 73.12 C ATOM 1016 O ALA A 66 -1.109 1.724 0.640 1.00 3.24 O ATOM 1017 CB ALA A 66 -4.280 0.873 -0.074 1.00 0.23 C ATOM 0 H ALA A 66 -2.105 -0.035 -1.305 1.00 64.35 H new ATOM 0 HA ALA A 66 -3.532 2.553 -1.182 1.00 14.51 H new ATOM 0 HB1 ALA A 66 -4.819 1.478 0.655 1.00 0.23 H new ATOM 0 HB2 ALA A 66 -4.960 0.575 -0.872 1.00 0.23 H new ATOM 0 HB3 ALA A 66 -3.884 -0.017 0.415 1.00 0.23 H new ATOM 1023 N LYS A 67 -2.731 3.171 1.219 1.00 1.20 N ATOM 1024 CA LYS A 67 -1.971 3.742 2.326 1.00 52.23 C ATOM 1025 C LYS A 67 -2.884 4.434 3.327 1.00 31.31 C ATOM 1026 O LYS A 67 -3.981 4.874 2.987 1.00 24.30 O ATOM 1027 CB LYS A 67 -0.917 4.727 1.812 1.00 44.25 C ATOM 1028 CG LYS A 67 -1.482 5.822 0.925 1.00 70.43 C ATOM 1029 CD LYS A 67 -0.379 6.679 0.325 1.00 21.32 C ATOM 1030 CE LYS A 67 -0.118 7.919 1.165 1.00 75.00 C ATOM 1031 NZ LYS A 67 1.314 8.324 1.127 1.00 23.24 N ATOM 0 H LYS A 67 -3.657 3.578 1.087 1.00 1.20 H new ATOM 0 HA LYS A 67 -1.467 2.919 2.834 1.00 52.23 H new ATOM 0 HB2 LYS A 67 -0.415 5.185 2.664 1.00 44.25 H new ATOM 0 HB3 LYS A 67 -0.159 4.176 1.255 1.00 44.25 H new ATOM 0 HG2 LYS A 67 -2.072 5.375 0.125 1.00 70.43 H new ATOM 0 HG3 LYS A 67 -2.157 6.450 1.506 1.00 70.43 H new ATOM 0 HD2 LYS A 67 0.536 6.093 0.246 1.00 21.32 H new ATOM 0 HD3 LYS A 67 -0.656 6.975 -0.687 1.00 21.32 H new ATOM 0 HE2 LYS A 67 -0.737 8.740 0.803 1.00 75.00 H new ATOM 0 HE3 LYS A 67 -0.414 7.728 2.196 1.00 75.00 H new ATOM 0 HZ1 LYS A 67 1.450 9.173 1.712 1.00 23.24 H new ATOM 0 HZ2 LYS A 67 1.903 7.551 1.496 1.00 23.24 H new ATOM 0 HZ3 LYS A 67 1.590 8.532 0.146 1.00 23.24 H new ATOM 1045 N VAL A 68 -2.419 4.519 4.567 1.00 11.03 N ATOM 1046 CA VAL A 68 -3.183 5.148 5.634 1.00 72.45 C ATOM 1047 C VAL A 68 -2.259 5.835 6.634 1.00 32.14 C ATOM 1048 O VAL A 68 -1.094 5.462 6.773 1.00 51.32 O ATOM 1049 CB VAL A 68 -4.043 4.110 6.380 1.00 43.32 C ATOM 1050 CG1 VAL A 68 -3.156 3.089 7.077 1.00 42.24 C ATOM 1051 CG2 VAL A 68 -4.964 4.793 7.379 1.00 51.14 C ATOM 0 H VAL A 68 -1.511 4.158 4.858 1.00 11.03 H new ATOM 0 HA VAL A 68 -3.833 5.892 5.173 1.00 72.45 H new ATOM 0 HB VAL A 68 -4.662 3.588 5.651 1.00 43.32 H new ATOM 0 HG11 VAL A 68 -3.779 2.363 7.599 1.00 42.24 H new ATOM 0 HG12 VAL A 68 -2.542 2.575 6.337 1.00 42.24 H new ATOM 0 HG13 VAL A 68 -2.511 3.597 7.794 1.00 42.24 H new ATOM 0 HG21 VAL A 68 -5.562 4.042 7.895 1.00 51.14 H new ATOM 0 HG22 VAL A 68 -4.367 5.344 8.106 1.00 51.14 H new ATOM 0 HG23 VAL A 68 -5.623 5.484 6.853 1.00 51.14 H new ATOM 1061 N ASP A 69 -2.786 6.829 7.336 1.00 50.51 N ATOM 1062 CA ASP A 69 -2.009 7.554 8.330 1.00 43.22 C ATOM 1063 C ASP A 69 -2.168 6.911 9.703 1.00 5.23 C ATOM 1064 O ASP A 69 -3.205 7.053 10.352 1.00 5.32 O ATOM 1065 CB ASP A 69 -2.440 9.020 8.381 1.00 32.22 C ATOM 1066 CG ASP A 69 -1.259 9.965 8.477 1.00 4.11 C ATOM 1067 OD1 ASP A 69 -0.483 9.849 9.448 1.00 53.31 O ATOM 1068 OD2 ASP A 69 -1.111 10.822 7.580 1.00 42.00 O ATOM 0 H ASP A 69 -3.748 7.151 7.235 1.00 50.51 H new ATOM 0 HA ASP A 69 -0.958 7.510 8.043 1.00 43.22 H new ATOM 0 HB2 ASP A 69 -3.020 9.257 7.489 1.00 32.22 H new ATOM 0 HB3 ASP A 69 -3.096 9.174 9.238 1.00 32.22 H new ATOM 1073 N ALA A 70 -1.135 6.200 10.137 1.00 52.42 N ATOM 1074 CA ALA A 70 -1.154 5.525 11.432 1.00 24.21 C ATOM 1075 C ALA A 70 -1.163 6.520 12.591 1.00 22.35 C ATOM 1076 O ALA A 70 -1.333 6.134 13.747 1.00 53.45 O ATOM 1077 CB ALA A 70 0.045 4.598 11.550 1.00 61.12 C ATOM 0 H ALA A 70 -0.270 6.075 9.611 1.00 52.42 H new ATOM 0 HA ALA A 70 -2.074 4.943 11.490 1.00 24.21 H new ATOM 0 HB1 ALA A 70 0.024 4.098 12.518 1.00 61.12 H new ATOM 0 HB2 ALA A 70 0.008 3.852 10.756 1.00 61.12 H new ATOM 0 HB3 ALA A 70 0.964 5.178 11.461 1.00 61.12 H new ATOM 1083 N THR A 71 -0.967 7.796 12.279 1.00 42.24 N ATOM 1084 CA THR A 71 -0.940 8.838 13.302 1.00 3.43 C ATOM 1085 C THR A 71 -2.056 9.859 13.101 1.00 33.43 C ATOM 1086 O THR A 71 -2.314 10.685 13.976 1.00 51.01 O ATOM 1087 CB THR A 71 0.410 9.545 13.274 1.00 25.35 C ATOM 1088 OG1 THR A 71 0.452 10.591 14.229 1.00 70.43 O ATOM 1089 CG2 THR A 71 0.740 10.137 11.922 1.00 30.12 C ATOM 0 H THR A 71 -0.825 8.135 11.328 1.00 42.24 H new ATOM 0 HA THR A 71 -1.095 8.361 14.270 1.00 3.43 H new ATOM 0 HB THR A 71 1.147 8.776 13.507 1.00 25.35 H new ATOM 0 HG1 THR A 71 -0.433 11.006 14.299 1.00 70.43 H new ATOM 0 HG21 THR A 71 1.713 10.626 11.967 1.00 30.12 H new ATOM 0 HG22 THR A 71 0.767 9.344 11.174 1.00 30.12 H new ATOM 0 HG23 THR A 71 -0.021 10.868 11.649 1.00 30.12 H new ATOM 1097 N ALA A 72 -2.713 9.804 11.949 1.00 0.30 N ATOM 1098 CA ALA A 72 -3.793 10.728 11.644 1.00 75.21 C ATOM 1099 C ALA A 72 -5.144 10.024 11.677 1.00 45.34 C ATOM 1100 O ALA A 72 -6.191 10.670 11.720 1.00 45.33 O ATOM 1101 CB ALA A 72 -3.565 11.372 10.285 1.00 51.24 C ATOM 0 H ALA A 72 -2.515 9.128 11.211 1.00 0.30 H new ATOM 0 HA ALA A 72 -3.800 11.506 12.408 1.00 75.21 H new ATOM 0 HB1 ALA A 72 -4.380 12.062 10.068 1.00 51.24 H new ATOM 0 HB2 ALA A 72 -2.621 11.917 10.294 1.00 51.24 H new ATOM 0 HB3 ALA A 72 -3.530 10.599 9.517 1.00 51.24 H new ATOM 1107 N ASN A 73 -5.112 8.697 11.649 1.00 1.30 N ATOM 1108 CA ASN A 73 -6.333 7.905 11.667 1.00 2.25 C ATOM 1109 C ASN A 73 -6.259 6.813 12.729 1.00 71.03 C ATOM 1110 O ASN A 73 -5.277 6.074 12.807 1.00 22.02 O ATOM 1111 CB ASN A 73 -6.583 7.275 10.294 1.00 15.54 C ATOM 1112 CG ASN A 73 -5.814 7.958 9.178 1.00 54.52 C ATOM 1113 OD1 ASN A 73 -4.910 7.373 8.587 1.00 72.24 O ATOM 1114 ND2 ASN A 73 -6.170 9.203 8.887 1.00 11.11 N ATOM 0 H ASN A 73 -4.253 8.148 11.614 1.00 1.30 H new ATOM 0 HA ASN A 73 -7.160 8.572 11.910 1.00 2.25 H new ATOM 0 HB2 ASN A 73 -6.304 6.222 10.328 1.00 15.54 H new ATOM 0 HB3 ASN A 73 -7.649 7.316 10.071 1.00 15.54 H new ATOM 0 HD21 ASN A 73 -5.687 9.712 8.147 1.00 11.11 H new ATOM 0 HD22 ASN A 73 -6.927 9.651 9.403 1.00 11.11 H new ATOM 1121 N ASP A 74 -7.306 6.712 13.541 1.00 10.14 N ATOM 1122 CA ASP A 74 -7.360 5.703 14.592 1.00 32.42 C ATOM 1123 C ASP A 74 -7.736 4.346 14.010 1.00 31.33 C ATOM 1124 O ASP A 74 -8.916 4.014 13.894 1.00 44.21 O ATOM 1125 CB ASP A 74 -8.369 6.107 15.668 1.00 3.14 C ATOM 1126 CG ASP A 74 -8.074 7.474 16.254 1.00 10.31 C ATOM 1127 OD1 ASP A 74 -8.389 8.485 15.590 1.00 34.45 O ATOM 1128 OD2 ASP A 74 -7.529 7.534 17.376 1.00 5.34 O ATOM 0 H ASP A 74 -8.127 7.315 13.492 1.00 10.14 H new ATOM 0 HA ASP A 74 -6.372 5.628 15.046 1.00 32.42 H new ATOM 0 HB2 ASP A 74 -9.372 6.107 15.240 1.00 3.14 H new ATOM 0 HB3 ASP A 74 -8.363 5.364 16.465 1.00 3.14 H new ATOM 1133 N VAL A 75 -6.726 3.567 13.641 1.00 53.50 N ATOM 1134 CA VAL A 75 -6.950 2.248 13.065 1.00 63.22 C ATOM 1135 C VAL A 75 -7.413 1.253 14.127 1.00 35.25 C ATOM 1136 O VAL A 75 -7.058 1.373 15.300 1.00 64.10 O ATOM 1137 CB VAL A 75 -5.677 1.711 12.382 1.00 4.11 C ATOM 1138 CG1 VAL A 75 -5.211 2.669 11.295 1.00 33.13 C ATOM 1139 CG2 VAL A 75 -4.574 1.476 13.405 1.00 12.01 C ATOM 0 H VAL A 75 -5.744 3.827 13.731 1.00 53.50 H new ATOM 0 HA VAL A 75 -7.733 2.357 12.315 1.00 63.22 H new ATOM 0 HB VAL A 75 -5.915 0.755 11.916 1.00 4.11 H new ATOM 0 HG11 VAL A 75 -4.311 2.274 10.823 1.00 33.13 H new ATOM 0 HG12 VAL A 75 -5.995 2.779 10.546 1.00 33.13 H new ATOM 0 HG13 VAL A 75 -4.992 3.641 11.736 1.00 33.13 H new ATOM 0 HG21 VAL A 75 -3.685 1.097 12.901 1.00 12.01 H new ATOM 0 HG22 VAL A 75 -4.335 2.415 13.905 1.00 12.01 H new ATOM 0 HG23 VAL A 75 -4.911 0.748 14.143 1.00 12.01 H new ATOM 1149 N PRO A 76 -8.216 0.252 13.728 1.00 60.33 N ATOM 1150 CA PRO A 76 -8.728 -0.766 14.650 1.00 75.42 C ATOM 1151 C PRO A 76 -7.648 -1.748 15.090 1.00 43.21 C ATOM 1152 O PRO A 76 -7.734 -2.339 16.166 1.00 21.12 O ATOM 1153 CB PRO A 76 -9.798 -1.483 13.825 1.00 73.42 C ATOM 1154 CG PRO A 76 -9.362 -1.309 12.412 1.00 11.44 C ATOM 1155 CD PRO A 76 -8.688 0.035 12.346 1.00 24.22 C ATOM 0 HA PRO A 76 -9.104 -0.327 15.574 1.00 75.42 H new ATOM 0 HB2 PRO A 76 -9.864 -2.538 14.092 1.00 73.42 H new ATOM 0 HB3 PRO A 76 -10.784 -1.049 13.992 1.00 73.42 H new ATOM 0 HG2 PRO A 76 -8.677 -2.103 12.115 1.00 11.44 H new ATOM 0 HG3 PRO A 76 -10.214 -1.352 11.733 1.00 11.44 H new ATOM 0 HD2 PRO A 76 -7.862 0.035 11.635 1.00 24.22 H new ATOM 0 HD3 PRO A 76 -9.380 0.816 12.031 1.00 24.22 H new ATOM 1163 N ASP A 77 -6.631 -1.919 14.250 1.00 62.52 N ATOM 1164 CA ASP A 77 -5.535 -2.830 14.554 1.00 21.44 C ATOM 1165 C ASP A 77 -4.465 -2.136 15.390 1.00 3.52 C ATOM 1166 O ASP A 77 -4.425 -0.909 15.470 1.00 0.40 O ATOM 1167 CB ASP A 77 -4.919 -3.369 13.261 1.00 64.14 C ATOM 1168 CG ASP A 77 -5.528 -4.691 12.838 1.00 73.22 C ATOM 1169 OD1 ASP A 77 -6.651 -4.680 12.291 1.00 20.50 O ATOM 1170 OD2 ASP A 77 -4.882 -5.738 13.054 1.00 31.34 O ATOM 0 H ASP A 77 -6.544 -1.438 13.354 1.00 62.52 H new ATOM 0 HA ASP A 77 -5.937 -3.662 15.132 1.00 21.44 H new ATOM 0 HB2 ASP A 77 -5.056 -2.638 12.464 1.00 64.14 H new ATOM 0 HB3 ASP A 77 -3.845 -3.494 13.398 1.00 64.14 H new ATOM 1253 N PRO A 83 6.376 2.805 10.977 1.00 3.04 N ATOM 1254 CA PRO A 83 5.266 2.457 10.084 1.00 54.24 C ATOM 1255 C PRO A 83 5.255 0.974 9.728 1.00 11.33 C ATOM 1256 O PRO A 83 6.002 0.187 10.309 1.00 42.02 O ATOM 1257 CB PRO A 83 5.515 3.310 8.833 1.00 3.23 C ATOM 1258 CG PRO A 83 6.676 4.197 9.158 1.00 1.32 C ATOM 1259 CD PRO A 83 7.434 3.516 10.258 1.00 54.44 C ATOM 0 HA PRO A 83 4.299 2.647 10.550 1.00 54.24 H new ATOM 0 HB2 PRO A 83 5.735 2.681 7.970 1.00 3.23 H new ATOM 0 HB3 PRO A 83 4.633 3.899 8.581 1.00 3.23 H new ATOM 0 HG2 PRO A 83 7.309 4.344 8.283 1.00 1.32 H new ATOM 0 HG3 PRO A 83 6.335 5.183 9.474 1.00 1.32 H new ATOM 0 HD2 PRO A 83 8.189 2.834 9.868 1.00 54.44 H new ATOM 0 HD3 PRO A 83 7.950 4.231 10.898 1.00 54.44 H new ATOM 1267 N THR A 84 4.400 0.589 8.782 1.00 2.41 N ATOM 1268 CA THR A 84 4.304 -0.814 8.379 1.00 41.24 C ATOM 1269 C THR A 84 3.463 -0.970 7.112 1.00 32.43 C ATOM 1270 O THR A 84 2.450 -0.296 6.946 1.00 60.21 O ATOM 1271 CB THR A 84 3.705 -1.638 9.531 1.00 10.10 C ATOM 1272 OG1 THR A 84 4.728 -2.102 10.394 1.00 22.31 O ATOM 1273 CG2 THR A 84 2.904 -2.849 9.087 1.00 53.53 C ATOM 0 H THR A 84 3.771 1.220 8.285 1.00 2.41 H new ATOM 0 HA THR A 84 5.305 -1.182 8.155 1.00 41.24 H new ATOM 0 HB THR A 84 3.024 -0.951 10.035 1.00 10.10 H new ATOM 0 HG1 THR A 84 5.386 -2.612 9.877 1.00 22.31 H new ATOM 0 HG21 THR A 84 2.519 -3.371 9.963 1.00 53.53 H new ATOM 0 HG22 THR A 84 2.072 -2.525 8.462 1.00 53.53 H new ATOM 0 HG23 THR A 84 3.546 -3.521 8.517 1.00 53.53 H new ATOM 1281 N ILE A 85 3.882 -1.872 6.225 1.00 60.42 N ATOM 1282 CA ILE A 85 3.154 -2.114 4.984 1.00 22.33 C ATOM 1283 C ILE A 85 2.434 -3.458 5.010 1.00 73.34 C ATOM 1284 O ILE A 85 3.021 -4.500 4.732 1.00 71.15 O ATOM 1285 CB ILE A 85 4.080 -2.070 3.756 1.00 41.20 C ATOM 1286 CG1 ILE A 85 4.866 -0.763 3.737 1.00 4.04 C ATOM 1287 CG2 ILE A 85 3.272 -2.227 2.474 1.00 44.35 C ATOM 1288 CD1 ILE A 85 6.197 -0.858 4.439 1.00 54.43 C ATOM 0 H ILE A 85 4.718 -2.444 6.343 1.00 60.42 H new ATOM 0 HA ILE A 85 2.420 -1.312 4.903 1.00 22.33 H new ATOM 0 HB ILE A 85 4.785 -2.899 3.820 1.00 41.20 H new ATOM 0 HG12 ILE A 85 5.029 -0.460 2.703 1.00 4.04 H new ATOM 0 HG13 ILE A 85 4.270 0.019 4.208 1.00 4.04 H new ATOM 0 HG21 ILE A 85 3.942 -2.194 1.615 1.00 44.35 H new ATOM 0 HG22 ILE A 85 2.748 -3.183 2.489 1.00 44.35 H new ATOM 0 HG23 ILE A 85 2.546 -1.417 2.400 1.00 44.35 H new ATOM 0 HD11 ILE A 85 6.704 0.105 4.389 1.00 54.43 H new ATOM 0 HD12 ILE A 85 6.039 -1.131 5.482 1.00 54.43 H new ATOM 0 HD13 ILE A 85 6.811 -1.617 3.954 1.00 54.43 H new ATOM 1300 N LYS A 86 1.155 -3.419 5.330 1.00 3.11 N ATOM 1301 CA LYS A 86 0.336 -4.625 5.382 1.00 60.53 C ATOM 1302 C LYS A 86 -0.301 -4.893 4.022 1.00 52.11 C ATOM 1303 O LYS A 86 -0.973 -4.029 3.460 1.00 22.13 O ATOM 1304 CB LYS A 86 -0.749 -4.494 6.453 1.00 33.22 C ATOM 1305 CG LYS A 86 -0.406 -5.193 7.758 1.00 12.03 C ATOM 1306 CD LYS A 86 -1.639 -5.397 8.623 1.00 13.41 C ATOM 1307 CE LYS A 86 -1.849 -4.234 9.578 1.00 71.15 C ATOM 1308 NZ LYS A 86 -2.338 -4.689 10.909 1.00 24.02 N ATOM 0 H LYS A 86 0.653 -2.561 5.560 1.00 3.11 H new ATOM 0 HA LYS A 86 0.980 -5.465 5.641 1.00 60.53 H new ATOM 0 HB2 LYS A 86 -0.925 -3.437 6.652 1.00 33.22 H new ATOM 0 HB3 LYS A 86 -1.681 -4.904 6.065 1.00 33.22 H new ATOM 0 HG2 LYS A 86 0.054 -6.158 7.545 1.00 12.03 H new ATOM 0 HG3 LYS A 86 0.330 -4.603 8.305 1.00 12.03 H new ATOM 0 HD2 LYS A 86 -2.517 -5.509 7.986 1.00 13.41 H new ATOM 0 HD3 LYS A 86 -1.537 -6.322 9.191 1.00 13.41 H new ATOM 0 HE2 LYS A 86 -0.911 -3.692 9.702 1.00 71.15 H new ATOM 0 HE3 LYS A 86 -2.566 -3.536 9.147 1.00 71.15 H new ATOM 0 HZ1 LYS A 86 -2.469 -3.866 11.531 1.00 24.02 H new ATOM 0 HZ2 LYS A 86 -3.245 -5.184 10.795 1.00 24.02 H new ATOM 0 HZ3 LYS A 86 -1.642 -5.336 11.332 1.00 24.02 H new ATOM 1322 N LEU A 87 -0.073 -6.089 3.491 1.00 25.44 N ATOM 1323 CA LEU A 87 -0.614 -6.462 2.187 1.00 13.34 C ATOM 1324 C LEU A 87 -1.835 -7.364 2.328 1.00 25.24 C ATOM 1325 O LEU A 87 -1.716 -8.523 2.722 1.00 31.53 O ATOM 1326 CB LEU A 87 0.465 -7.181 1.378 1.00 63.02 C ATOM 1327 CG LEU A 87 0.104 -7.557 -0.073 1.00 64.25 C ATOM 1328 CD1 LEU A 87 -0.696 -8.846 -0.100 1.00 33.42 C ATOM 1329 CD2 LEU A 87 -0.674 -6.438 -0.754 1.00 30.13 C ATOM 0 H LEU A 87 0.482 -6.817 3.942 1.00 25.44 H new ATOM 0 HA LEU A 87 -0.925 -5.553 1.673 1.00 13.34 H new ATOM 0 HB2 LEU A 87 1.352 -6.548 1.355 1.00 63.02 H new ATOM 0 HB3 LEU A 87 0.738 -8.093 1.909 1.00 63.02 H new ATOM 0 HG LEU A 87 1.033 -7.706 -0.624 1.00 64.25 H new ATOM 0 HD11 LEU A 87 -0.944 -9.099 -1.131 1.00 33.42 H new ATOM 0 HD12 LEU A 87 -0.105 -9.650 0.339 1.00 33.42 H new ATOM 0 HD13 LEU A 87 -1.614 -8.716 0.472 1.00 33.42 H new ATOM 0 HD21 LEU A 87 -0.915 -6.732 -1.776 1.00 30.13 H new ATOM 0 HD22 LEU A 87 -1.596 -6.249 -0.204 1.00 30.13 H new ATOM 0 HD23 LEU A 87 -0.069 -5.532 -0.770 1.00 30.13 H new ATOM 1341 N TYR A 88 -3.006 -6.834 1.988 1.00 32.44 N ATOM 1342 CA TYR A 88 -4.239 -7.609 2.062 1.00 20.25 C ATOM 1343 C TYR A 88 -4.571 -8.204 0.699 1.00 64.41 C ATOM 1344 O TYR A 88 -5.252 -7.572 -0.108 1.00 42.44 O ATOM 1345 CB TYR A 88 -5.412 -6.744 2.522 1.00 52.13 C ATOM 1346 CG TYR A 88 -5.281 -6.200 3.925 1.00 21.13 C ATOM 1347 CD1 TYR A 88 -4.257 -5.324 4.260 1.00 30.13 C ATOM 1348 CD2 TYR A 88 -6.191 -6.555 4.913 1.00 73.15 C ATOM 1349 CE1 TYR A 88 -4.142 -4.819 5.540 1.00 35.44 C ATOM 1350 CE2 TYR A 88 -6.082 -6.055 6.196 1.00 54.40 C ATOM 1351 CZ TYR A 88 -5.055 -5.189 6.504 1.00 1.22 C ATOM 1352 OH TYR A 88 -4.941 -4.689 7.781 1.00 3.10 O ATOM 0 H TYR A 88 -3.127 -5.876 1.660 1.00 32.44 H new ATOM 0 HA TYR A 88 -4.081 -8.406 2.788 1.00 20.25 H new ATOM 0 HB2 TYR A 88 -5.523 -5.908 1.831 1.00 52.13 H new ATOM 0 HB3 TYR A 88 -6.327 -7.333 2.459 1.00 52.13 H new ATOM 0 HD1 TYR A 88 -3.539 -5.033 3.507 1.00 30.13 H new ATOM 0 HD2 TYR A 88 -6.997 -7.233 4.674 1.00 73.15 H new ATOM 0 HE1 TYR A 88 -3.341 -4.138 5.785 1.00 35.44 H new ATOM 0 HE2 TYR A 88 -6.797 -6.341 6.953 1.00 54.40 H new ATOM 0 HH TYR A 88 -5.580 -3.956 7.904 1.00 3.10 H new ATOM 1362 N PRO A 89 -4.107 -9.430 0.420 1.00 54.33 N ATOM 1363 CA PRO A 89 -4.375 -10.093 -0.850 1.00 44.12 C ATOM 1364 C PRO A 89 -5.857 -10.216 -1.108 1.00 5.24 C ATOM 1365 O PRO A 89 -6.675 -10.009 -0.212 1.00 54.43 O ATOM 1366 CB PRO A 89 -3.777 -11.495 -0.676 1.00 1.30 C ATOM 1367 CG PRO A 89 -3.559 -11.650 0.788 1.00 52.43 C ATOM 1368 CD PRO A 89 -3.303 -10.271 1.309 1.00 64.41 C ATOM 0 HA PRO A 89 -3.955 -9.537 -1.688 1.00 44.12 H new ATOM 0 HB2 PRO A 89 -4.453 -12.261 -1.056 1.00 1.30 H new ATOM 0 HB3 PRO A 89 -2.841 -11.594 -1.226 1.00 1.30 H new ATOM 0 HG2 PRO A 89 -4.431 -12.094 1.268 1.00 52.43 H new ATOM 0 HG3 PRO A 89 -2.714 -12.308 0.990 1.00 52.43 H new ATOM 0 HD2 PRO A 89 -3.611 -10.169 2.350 1.00 64.41 H new ATOM 0 HD3 PRO A 89 -2.245 -10.012 1.263 1.00 64.41 H new ATOM 1376 N ALA A 90 -6.199 -10.599 -2.321 1.00 0.43 N ATOM 1377 CA ALA A 90 -7.591 -10.799 -2.664 1.00 75.24 C ATOM 1378 C ALA A 90 -7.954 -12.244 -2.392 1.00 45.22 C ATOM 1379 O ALA A 90 -8.431 -12.967 -3.267 1.00 1.13 O ATOM 1380 CB ALA A 90 -7.858 -10.425 -4.114 1.00 33.05 C ATOM 0 H ALA A 90 -5.540 -10.776 -3.079 1.00 0.43 H new ATOM 0 HA ALA A 90 -8.215 -10.148 -2.051 1.00 75.24 H new ATOM 0 HB1 ALA A 90 -8.912 -10.585 -4.343 1.00 33.05 H new ATOM 0 HB2 ALA A 90 -7.608 -9.376 -4.271 1.00 33.05 H new ATOM 0 HB3 ALA A 90 -7.246 -11.045 -4.768 1.00 33.05 H new ATOM 1386 N GLY A 91 -7.704 -12.647 -1.155 1.00 72.10 N ATOM 1387 CA GLY A 91 -7.982 -14.001 -0.732 1.00 72.44 C ATOM 1388 C GLY A 91 -7.482 -14.260 0.673 1.00 51.35 C ATOM 1389 O GLY A 91 -8.000 -15.129 1.374 1.00 44.12 O ATOM 0 H GLY A 91 -7.308 -12.050 -0.429 1.00 72.10 H new ATOM 0 HA2 GLY A 91 -9.056 -14.183 -0.776 1.00 72.44 H new ATOM 0 HA3 GLY A 91 -7.511 -14.702 -1.421 1.00 72.44 H new ATOM 1393 N ALA A 92 -6.470 -13.498 1.088 1.00 43.32 N ATOM 1394 CA ALA A 92 -5.904 -13.649 2.422 1.00 72.41 C ATOM 1395 C ALA A 92 -5.829 -12.307 3.146 1.00 74.42 C ATOM 1396 O ALA A 92 -4.791 -11.948 3.704 1.00 70.33 O ATOM 1397 CB ALA A 92 -4.526 -14.290 2.341 1.00 31.53 C ATOM 0 H ALA A 92 -6.029 -12.774 0.520 1.00 43.32 H new ATOM 0 HA ALA A 92 -6.562 -14.301 2.997 1.00 72.41 H new ATOM 0 HB1 ALA A 92 -4.115 -14.397 3.345 1.00 31.53 H new ATOM 0 HB2 ALA A 92 -4.608 -15.272 1.876 1.00 31.53 H new ATOM 0 HB3 ALA A 92 -3.866 -13.660 1.744 1.00 31.53 H new ATOM 1403 N LYS A 93 -6.936 -11.569 3.136 1.00 63.44 N ATOM 1404 CA LYS A 93 -6.996 -10.268 3.796 1.00 62.03 C ATOM 1405 C LYS A 93 -7.209 -10.419 5.305 1.00 52.40 C ATOM 1406 O LYS A 93 -7.414 -9.432 6.011 1.00 73.44 O ATOM 1407 CB LYS A 93 -8.116 -9.419 3.193 1.00 51.10 C ATOM 1408 CG LYS A 93 -9.450 -10.143 3.105 1.00 74.33 C ATOM 1409 CD LYS A 93 -9.692 -10.700 1.711 1.00 31.12 C ATOM 1410 CE LYS A 93 -10.467 -12.005 1.765 1.00 50.44 C ATOM 1411 NZ LYS A 93 -10.555 -12.660 0.431 1.00 73.13 N ATOM 0 H LYS A 93 -7.803 -11.850 2.678 1.00 63.44 H new ATOM 0 HA LYS A 93 -6.041 -9.768 3.636 1.00 62.03 H new ATOM 0 HB2 LYS A 93 -8.240 -8.518 3.793 1.00 51.10 H new ATOM 0 HB3 LYS A 93 -7.820 -9.098 2.194 1.00 51.10 H new ATOM 0 HG2 LYS A 93 -9.473 -10.955 3.831 1.00 74.33 H new ATOM 0 HG3 LYS A 93 -10.255 -9.457 3.369 1.00 74.33 H new ATOM 0 HD2 LYS A 93 -10.243 -9.971 1.117 1.00 31.12 H new ATOM 0 HD3 LYS A 93 -8.737 -10.862 1.211 1.00 31.12 H new ATOM 0 HE2 LYS A 93 -9.986 -12.683 2.470 1.00 50.44 H new ATOM 0 HE3 LYS A 93 -11.472 -11.814 2.142 1.00 50.44 H new ATOM 0 HZ1 LYS A 93 -11.540 -12.637 0.097 1.00 73.13 H new ATOM 0 HZ2 LYS A 93 -9.948 -12.154 -0.245 1.00 73.13 H new ATOM 0 HZ3 LYS A 93 -10.239 -13.648 0.508 1.00 73.13 H new ATOM 1425 N GLY A 94 -7.148 -11.658 5.795 1.00 31.24 N ATOM 1426 CA GLY A 94 -7.324 -11.910 7.211 1.00 21.30 C ATOM 1427 C GLY A 94 -6.002 -11.902 7.947 1.00 43.25 C ATOM 1428 O GLY A 94 -5.947 -11.607 9.141 1.00 34.03 O ATOM 0 H GLY A 94 -6.979 -12.491 5.231 1.00 31.24 H new ATOM 0 HA2 GLY A 94 -7.983 -11.153 7.637 1.00 21.30 H new ATOM 0 HA3 GLY A 94 -7.813 -12.874 7.352 1.00 21.30 H new ATOM 1432 N GLN A 95 -4.929 -12.202 7.221 1.00 30.14 N ATOM 1433 CA GLN A 95 -3.595 -12.204 7.795 1.00 32.12 C ATOM 1434 C GLN A 95 -2.601 -11.596 6.811 1.00 35.41 C ATOM 1435 O GLN A 95 -1.602 -12.217 6.449 1.00 1.14 O ATOM 1436 CB GLN A 95 -3.162 -13.619 8.171 1.00 22.32 C ATOM 1437 CG GLN A 95 -1.760 -13.672 8.750 1.00 60.44 C ATOM 1438 CD GLN A 95 -1.678 -14.501 10.016 1.00 22.42 C ATOM 1439 OE1 GLN A 95 -1.601 -15.729 9.964 1.00 5.02 O ATOM 1440 NE2 GLN A 95 -1.695 -13.833 11.164 1.00 12.52 N ATOM 0 H GLN A 95 -4.962 -12.447 6.231 1.00 30.14 H new ATOM 0 HA GLN A 95 -3.614 -11.602 8.703 1.00 32.12 H new ATOM 0 HB2 GLN A 95 -3.865 -14.028 8.896 1.00 22.32 H new ATOM 0 HB3 GLN A 95 -3.209 -14.255 7.287 1.00 22.32 H new ATOM 0 HG2 GLN A 95 -1.080 -14.086 8.006 1.00 60.44 H new ATOM 0 HG3 GLN A 95 -1.421 -12.658 8.963 1.00 60.44 H new ATOM 0 HE21 GLN A 95 -1.760 -12.815 11.161 1.00 12.52 H new ATOM 0 HE22 GLN A 95 -1.643 -14.338 12.049 1.00 12.52 H new ATOM 1449 N PRO A 96 -2.884 -10.362 6.368 1.00 24.22 N ATOM 1450 CA PRO A 96 -2.047 -9.618 5.422 1.00 41.01 C ATOM 1451 C PRO A 96 -0.554 -9.775 5.667 1.00 1.53 C ATOM 1452 O PRO A 96 -0.128 -10.458 6.598 1.00 11.13 O ATOM 1453 CB PRO A 96 -2.445 -8.182 5.717 1.00 75.41 C ATOM 1454 CG PRO A 96 -3.884 -8.262 6.072 1.00 12.13 C ATOM 1455 CD PRO A 96 -4.081 -9.588 6.750 1.00 13.13 C ATOM 0 HA PRO A 96 -2.199 -9.960 4.398 1.00 41.01 H new ATOM 0 HB2 PRO A 96 -1.857 -7.767 6.535 1.00 75.41 H new ATOM 0 HB3 PRO A 96 -2.285 -7.540 4.851 1.00 75.41 H new ATOM 0 HG2 PRO A 96 -4.167 -7.442 6.732 1.00 12.13 H new ATOM 0 HG3 PRO A 96 -4.508 -8.184 5.182 1.00 12.13 H new ATOM 0 HD2 PRO A 96 -4.157 -9.477 7.832 1.00 13.13 H new ATOM 0 HD3 PRO A 96 -4.996 -10.076 6.415 1.00 13.13 H new ATOM 1463 N VAL A 97 0.243 -9.102 4.842 1.00 3.32 N ATOM 1464 CA VAL A 97 1.676 -9.142 4.991 1.00 62.24 C ATOM 1465 C VAL A 97 2.154 -7.885 5.692 1.00 12.14 C ATOM 1466 O VAL A 97 2.579 -6.926 5.048 1.00 15.12 O ATOM 1467 CB VAL A 97 2.387 -9.271 3.634 1.00 14.00 C ATOM 1468 CG1 VAL A 97 3.878 -9.487 3.837 1.00 44.42 C ATOM 1469 CG2 VAL A 97 1.774 -10.403 2.820 1.00 64.03 C ATOM 0 H VAL A 97 -0.088 -8.526 4.068 1.00 3.32 H new ATOM 0 HA VAL A 97 1.922 -10.021 5.587 1.00 62.24 H new ATOM 0 HB VAL A 97 2.253 -8.344 3.077 1.00 14.00 H new ATOM 0 HG11 VAL A 97 4.368 -9.577 2.867 1.00 44.42 H new ATOM 0 HG12 VAL A 97 4.298 -8.640 4.379 1.00 44.42 H new ATOM 0 HG13 VAL A 97 4.039 -10.400 4.410 1.00 44.42 H new ATOM 0 HG21 VAL A 97 2.288 -10.482 1.862 1.00 64.03 H new ATOM 0 HG22 VAL A 97 1.877 -11.341 3.366 1.00 64.03 H new ATOM 0 HG23 VAL A 97 0.717 -10.197 2.649 1.00 64.03 H new ATOM 1479 N THR A 98 2.065 -7.899 7.016 1.00 41.44 N ATOM 1480 CA THR A 98 2.488 -6.765 7.824 1.00 64.43 C ATOM 1481 C THR A 98 3.982 -6.542 7.648 1.00 21.02 C ATOM 1482 O THR A 98 4.798 -7.366 8.060 1.00 30.03 O ATOM 1483 CB THR A 98 2.151 -7.005 9.295 1.00 34.02 C ATOM 1484 OG1 THR A 98 2.439 -5.856 10.071 1.00 24.31 O ATOM 1485 CG2 THR A 98 2.903 -8.171 9.902 1.00 50.13 C ATOM 0 H THR A 98 1.702 -8.686 7.553 1.00 41.44 H new ATOM 0 HA THR A 98 1.956 -5.873 7.494 1.00 64.43 H new ATOM 0 HB THR A 98 1.086 -7.235 9.311 1.00 34.02 H new ATOM 0 HG1 THR A 98 2.215 -6.030 11.009 1.00 24.31 H new ATOM 0 HG21 THR A 98 2.616 -8.285 10.947 1.00 50.13 H new ATOM 0 HG22 THR A 98 2.660 -9.084 9.358 1.00 50.13 H new ATOM 0 HG23 THR A 98 3.975 -7.985 9.838 1.00 50.13 H new ATOM 1493 N TYR A 99 4.329 -5.443 6.999 1.00 11.02 N ATOM 1494 CA TYR A 99 5.721 -5.127 6.725 1.00 35.40 C ATOM 1495 C TYR A 99 6.202 -3.920 7.523 1.00 21.30 C ATOM 1496 O TYR A 99 5.445 -3.325 8.284 1.00 23.13 O ATOM 1497 CB TYR A 99 5.886 -4.882 5.229 1.00 10.30 C ATOM 1498 CG TYR A 99 6.803 -5.878 4.562 1.00 52.22 C ATOM 1499 CD1 TYR A 99 6.383 -7.185 4.334 1.00 32.43 C ATOM 1500 CD2 TYR A 99 8.085 -5.520 4.165 1.00 4.22 C ATOM 1501 CE1 TYR A 99 7.216 -8.105 3.728 1.00 14.41 C ATOM 1502 CE2 TYR A 99 8.923 -6.435 3.557 1.00 35.13 C ATOM 1503 CZ TYR A 99 8.485 -7.725 3.341 1.00 52.53 C ATOM 1504 OH TYR A 99 9.318 -8.639 2.737 1.00 43.14 O ATOM 0 H TYR A 99 3.664 -4.753 6.651 1.00 11.02 H new ATOM 0 HA TYR A 99 6.335 -5.972 7.035 1.00 35.40 H new ATOM 0 HB2 TYR A 99 4.907 -4.922 4.751 1.00 10.30 H new ATOM 0 HB3 TYR A 99 6.277 -3.877 5.073 1.00 10.30 H new ATOM 0 HD1 TYR A 99 5.390 -7.485 4.636 1.00 32.43 H new ATOM 0 HD2 TYR A 99 8.432 -4.511 4.334 1.00 4.22 H new ATOM 0 HE1 TYR A 99 6.876 -9.116 3.558 1.00 14.41 H new ATOM 0 HE2 TYR A 99 9.917 -6.141 3.252 1.00 35.13 H new ATOM 0 HH TYR A 99 10.174 -8.212 2.526 1.00 43.14 H new ATOM 1514 N SER A 100 7.473 -3.570 7.345 1.00 31.31 N ATOM 1515 CA SER A 100 8.062 -2.438 8.051 1.00 32.14 C ATOM 1516 C SER A 100 8.476 -1.336 7.078 1.00 23.31 C ATOM 1517 O SER A 100 8.256 -0.153 7.337 1.00 62.10 O ATOM 1518 CB SER A 100 9.274 -2.894 8.865 1.00 40.51 C ATOM 1519 OG SER A 100 9.433 -2.105 10.031 1.00 1.21 O ATOM 0 H SER A 100 8.114 -4.055 6.717 1.00 31.31 H new ATOM 0 HA SER A 100 7.307 -2.034 8.725 1.00 32.14 H new ATOM 0 HB2 SER A 100 9.155 -3.941 9.144 1.00 40.51 H new ATOM 0 HB3 SER A 100 10.173 -2.828 8.252 1.00 40.51 H new ATOM 0 HG SER A 100 10.213 -2.418 10.534 1.00 1.21 H new ATOM 1525 N GLY A 101 9.076 -1.732 5.959 1.00 13.00 N ATOM 1526 CA GLY A 101 9.509 -0.761 4.970 1.00 32.02 C ATOM 1527 C GLY A 101 10.664 -1.263 4.124 1.00 62.13 C ATOM 1528 O GLY A 101 11.233 -2.319 4.402 1.00 15.31 O ATOM 0 H GLY A 101 9.270 -2.705 5.720 1.00 13.00 H new ATOM 0 HA2 GLY A 101 8.670 -0.511 4.321 1.00 32.02 H new ATOM 0 HA3 GLY A 101 9.806 0.158 5.475 1.00 32.02 H new ATOM 1532 N SER A 102 11.008 -0.504 3.088 1.00 50.31 N ATOM 1533 CA SER A 102 12.102 -0.876 2.195 1.00 71.21 C ATOM 1534 C SER A 102 12.646 0.342 1.449 1.00 63.42 C ATOM 1535 O SER A 102 13.847 0.442 1.200 1.00 24.21 O ATOM 1536 CB SER A 102 11.630 -1.932 1.193 1.00 23.50 C ATOM 1537 OG SER A 102 11.249 -3.127 1.853 1.00 75.23 O ATOM 0 H SER A 102 10.546 0.372 2.846 1.00 50.31 H new ATOM 0 HA SER A 102 12.906 -1.290 2.804 1.00 71.21 H new ATOM 0 HB2 SER A 102 10.787 -1.544 0.621 1.00 23.50 H new ATOM 0 HB3 SER A 102 12.428 -2.144 0.481 1.00 23.50 H new ATOM 0 HG SER A 102 11.492 -3.069 2.801 1.00 75.23 H new ATOM 1543 N ARG A 103 11.754 1.266 1.098 1.00 13.43 N ATOM 1544 CA ARG A 103 12.139 2.480 0.383 1.00 74.42 C ATOM 1545 C ARG A 103 12.548 2.168 -1.053 1.00 52.14 C ATOM 1546 O ARG A 103 13.511 2.734 -1.571 1.00 2.14 O ATOM 1547 CB ARG A 103 13.283 3.194 1.110 1.00 32.55 C ATOM 1548 CG ARG A 103 13.497 4.628 0.650 1.00 62.25 C ATOM 1549 CD ARG A 103 14.968 4.923 0.399 1.00 24.05 C ATOM 1550 NE ARG A 103 15.270 6.348 0.513 1.00 31.04 N ATOM 1551 CZ ARG A 103 15.033 7.236 -0.450 1.00 1.13 C ATOM 1552 NH1 ARG A 103 14.486 6.853 -1.596 1.00 72.31 N ATOM 1553 NH2 ARG A 103 15.343 8.512 -0.264 1.00 73.50 N ATOM 0 H ARG A 103 10.756 1.196 1.298 1.00 13.43 H new ATOM 0 HA ARG A 103 11.271 3.138 0.357 1.00 74.42 H new ATOM 0 HB2 ARG A 103 13.079 3.192 2.181 1.00 32.55 H new ATOM 0 HB3 ARG A 103 14.205 2.632 0.960 1.00 32.55 H new ATOM 0 HG2 ARG A 103 12.929 4.806 -0.263 1.00 62.25 H new ATOM 0 HG3 ARG A 103 13.112 5.314 1.404 1.00 62.25 H new ATOM 0 HD2 ARG A 103 15.576 4.366 1.112 1.00 24.05 H new ATOM 0 HD3 ARG A 103 15.243 4.573 -0.596 1.00 24.05 H new ATOM 0 HE ARG A 103 15.687 6.682 1.382 1.00 31.04 H new ATOM 0 HH11 ARG A 103 14.244 5.873 -1.743 1.00 72.31 H new ATOM 0 HH12 ARG A 103 14.307 7.538 -2.330 1.00 72.31 H new ATOM 0 HH21 ARG A 103 15.762 8.812 0.616 1.00 73.50 H new ATOM 0 HH22 ARG A 103 15.162 9.193 -1.001 1.00 73.50 H new ATOM 1567 N THR A 104 11.808 1.270 -1.692 1.00 51.13 N ATOM 1568 CA THR A 104 12.095 0.894 -3.071 1.00 63.43 C ATOM 1569 C THR A 104 10.861 0.303 -3.747 1.00 10.52 C ATOM 1570 O THR A 104 10.067 -0.396 -3.118 1.00 43.31 O ATOM 1571 CB THR A 104 13.250 -0.107 -3.120 1.00 53.32 C ATOM 1572 OG1 THR A 104 13.446 -0.582 -4.440 1.00 61.20 O ATOM 1573 CG2 THR A 104 13.038 -1.308 -2.226 1.00 35.33 C ATOM 0 H THR A 104 11.008 0.790 -1.280 1.00 51.13 H new ATOM 0 HA THR A 104 12.383 1.795 -3.612 1.00 63.43 H new ATOM 0 HB THR A 104 14.123 0.441 -2.764 1.00 53.32 H new ATOM 0 HG1 THR A 104 14.190 -1.220 -4.451 1.00 61.20 H new ATOM 0 HG21 THR A 104 13.894 -1.978 -2.308 1.00 35.33 H new ATOM 0 HG22 THR A 104 12.933 -0.978 -1.192 1.00 35.33 H new ATOM 0 HG23 THR A 104 12.134 -1.835 -2.532 1.00 35.33 H new ATOM 1581 N VAL A 105 10.714 0.587 -5.036 1.00 53.23 N ATOM 1582 CA VAL A 105 9.586 0.086 -5.812 1.00 31.22 C ATOM 1583 C VAL A 105 9.790 -1.380 -6.160 1.00 4.43 C ATOM 1584 O VAL A 105 8.888 -2.202 -6.010 1.00 4.43 O ATOM 1585 CB VAL A 105 9.400 0.889 -7.115 1.00 25.14 C ATOM 1586 CG1 VAL A 105 8.182 0.396 -7.884 1.00 41.23 C ATOM 1587 CG2 VAL A 105 9.288 2.376 -6.814 1.00 12.42 C ATOM 0 H VAL A 105 11.365 1.164 -5.568 1.00 53.23 H new ATOM 0 HA VAL A 105 8.693 0.199 -5.197 1.00 31.22 H new ATOM 0 HB VAL A 105 10.278 0.734 -7.742 1.00 25.14 H new ATOM 0 HG11 VAL A 105 8.070 0.977 -8.800 1.00 41.23 H new ATOM 0 HG12 VAL A 105 8.312 -0.657 -8.136 1.00 41.23 H new ATOM 0 HG13 VAL A 105 7.290 0.514 -7.268 1.00 41.23 H new ATOM 0 HG21 VAL A 105 9.157 2.927 -7.745 1.00 12.42 H new ATOM 0 HG22 VAL A 105 8.430 2.552 -6.165 1.00 12.42 H new ATOM 0 HG23 VAL A 105 10.196 2.716 -6.316 1.00 12.42 H new ATOM 1597 N GLU A 106 10.990 -1.699 -6.623 1.00 21.14 N ATOM 1598 CA GLU A 106 11.351 -3.037 -6.991 1.00 34.33 C ATOM 1599 C GLU A 106 10.893 -4.053 -5.938 1.00 74.15 C ATOM 1600 O GLU A 106 10.404 -5.138 -6.270 1.00 5.20 O ATOM 1601 CB GLU A 106 12.866 -3.049 -7.182 1.00 44.31 C ATOM 1602 CG GLU A 106 13.640 -3.821 -6.128 1.00 51.44 C ATOM 1603 CD GLU A 106 15.056 -4.145 -6.563 1.00 53.01 C ATOM 1604 OE1 GLU A 106 15.237 -5.132 -7.306 1.00 0.23 O ATOM 1605 OE2 GLU A 106 15.984 -3.412 -6.161 1.00 13.12 O ATOM 0 H GLU A 106 11.740 -1.020 -6.751 1.00 21.14 H new ATOM 0 HA GLU A 106 10.853 -3.333 -7.914 1.00 34.33 H new ATOM 0 HB2 GLU A 106 13.090 -3.474 -8.160 1.00 44.31 H new ATOM 0 HB3 GLU A 106 13.224 -2.019 -7.193 1.00 44.31 H new ATOM 0 HG2 GLU A 106 13.671 -3.239 -5.207 1.00 51.44 H new ATOM 0 HG3 GLU A 106 13.113 -4.748 -5.902 1.00 51.44 H new ATOM 1612 N ASP A 107 11.043 -3.685 -4.669 1.00 22.20 N ATOM 1613 CA ASP A 107 10.641 -4.556 -3.574 1.00 22.14 C ATOM 1614 C ASP A 107 9.127 -4.640 -3.504 1.00 30.35 C ATOM 1615 O ASP A 107 8.567 -5.682 -3.172 1.00 45.13 O ATOM 1616 CB ASP A 107 11.199 -4.041 -2.246 1.00 34.21 C ATOM 1617 CG ASP A 107 12.619 -4.509 -1.995 1.00 23.23 C ATOM 1618 OD1 ASP A 107 13.024 -5.526 -2.596 1.00 53.32 O ATOM 1619 OD2 ASP A 107 13.326 -3.859 -1.197 1.00 52.13 O ATOM 0 H ASP A 107 11.439 -2.792 -4.376 1.00 22.20 H new ATOM 0 HA ASP A 107 11.045 -5.552 -3.757 1.00 22.14 H new ATOM 0 HB2 ASP A 107 11.173 -2.951 -2.242 1.00 34.21 H new ATOM 0 HB3 ASP A 107 10.559 -4.378 -1.431 1.00 34.21 H new ATOM 1624 N LEU A 108 8.474 -3.531 -3.828 1.00 13.14 N ATOM 1625 CA LEU A 108 7.021 -3.463 -3.815 1.00 21.53 C ATOM 1626 C LEU A 108 6.431 -4.422 -4.828 1.00 44.54 C ATOM 1627 O LEU A 108 5.541 -5.210 -4.514 1.00 54.12 O ATOM 1628 CB LEU A 108 6.563 -2.046 -4.125 1.00 44.23 C ATOM 1629 CG LEU A 108 6.554 -1.105 -2.927 1.00 32.01 C ATOM 1630 CD1 LEU A 108 6.257 0.317 -3.372 1.00 11.13 C ATOM 1631 CD2 LEU A 108 5.542 -1.573 -1.891 1.00 1.34 C ATOM 0 H LEU A 108 8.932 -2.663 -4.104 1.00 13.14 H new ATOM 0 HA LEU A 108 6.674 -3.747 -2.822 1.00 21.53 H new ATOM 0 HB2 LEU A 108 7.213 -1.628 -4.893 1.00 44.23 H new ATOM 0 HB3 LEU A 108 5.558 -2.087 -4.546 1.00 44.23 H new ATOM 0 HG LEU A 108 7.542 -1.117 -2.466 1.00 32.01 H new ATOM 0 HD11 LEU A 108 6.254 0.977 -2.504 1.00 11.13 H new ATOM 0 HD12 LEU A 108 7.022 0.646 -4.075 1.00 11.13 H new ATOM 0 HD13 LEU A 108 5.281 0.350 -3.856 1.00 11.13 H new ATOM 0 HD21 LEU A 108 5.548 -0.890 -1.042 1.00 1.34 H new ATOM 0 HD22 LEU A 108 4.547 -1.590 -2.336 1.00 1.34 H new ATOM 0 HD23 LEU A 108 5.805 -2.575 -1.552 1.00 1.34 H new ATOM 1643 N ILE A 109 6.943 -4.366 -6.045 1.00 64.31 N ATOM 1644 CA ILE A 109 6.474 -5.251 -7.092 1.00 13.12 C ATOM 1645 C ILE A 109 6.562 -6.695 -6.610 1.00 1.02 C ATOM 1646 O ILE A 109 5.569 -7.423 -6.596 1.00 62.41 O ATOM 1647 CB ILE A 109 7.307 -5.073 -8.376 1.00 55.13 C ATOM 1648 CG1 ILE A 109 7.075 -3.683 -8.968 1.00 63.20 C ATOM 1649 CG2 ILE A 109 6.975 -6.155 -9.398 1.00 5.30 C ATOM 1650 CD1 ILE A 109 8.308 -3.087 -9.611 1.00 65.14 C ATOM 0 H ILE A 109 7.679 -3.720 -6.330 1.00 64.31 H new ATOM 0 HA ILE A 109 5.438 -5.003 -7.323 1.00 13.12 H new ATOM 0 HB ILE A 109 8.361 -5.171 -8.116 1.00 55.13 H new ATOM 0 HG12 ILE A 109 6.280 -3.741 -9.711 1.00 63.20 H new ATOM 0 HG13 ILE A 109 6.727 -3.015 -8.180 1.00 63.20 H new ATOM 0 HG21 ILE A 109 7.577 -6.006 -10.294 1.00 5.30 H new ATOM 0 HG22 ILE A 109 7.193 -7.135 -8.974 1.00 5.30 H new ATOM 0 HG23 ILE A 109 5.918 -6.099 -9.657 1.00 5.30 H new ATOM 0 HD11 ILE A 109 8.070 -2.101 -10.010 1.00 65.14 H new ATOM 0 HD12 ILE A 109 9.099 -2.996 -8.866 1.00 65.14 H new ATOM 0 HD13 ILE A 109 8.645 -3.734 -10.421 1.00 65.14 H new ATOM 1662 N LYS A 110 7.755 -7.082 -6.170 1.00 11.50 N ATOM 1663 CA LYS A 110 7.979 -8.420 -5.651 1.00 41.30 C ATOM 1664 C LYS A 110 7.151 -8.634 -4.393 1.00 4.32 C ATOM 1665 O LYS A 110 6.895 -9.768 -3.984 1.00 2.43 O ATOM 1666 CB LYS A 110 9.463 -8.621 -5.341 1.00 41.03 C ATOM 1667 CG LYS A 110 9.829 -10.055 -4.997 1.00 60.41 C ATOM 1668 CD LYS A 110 9.736 -10.962 -6.214 1.00 43.44 C ATOM 1669 CE LYS A 110 10.982 -10.861 -7.080 1.00 44.51 C ATOM 1670 NZ LYS A 110 10.677 -11.086 -8.520 1.00 34.32 N ATOM 0 H LYS A 110 8.581 -6.484 -6.164 1.00 11.50 H new ATOM 0 HA LYS A 110 7.675 -9.147 -6.404 1.00 41.30 H new ATOM 0 HB2 LYS A 110 10.051 -8.302 -6.202 1.00 41.03 H new ATOM 0 HB3 LYS A 110 9.741 -7.975 -4.508 1.00 41.03 H new ATOM 0 HG2 LYS A 110 10.842 -10.087 -4.595 1.00 60.41 H new ATOM 0 HG3 LYS A 110 9.164 -10.424 -4.216 1.00 60.41 H new ATOM 0 HD2 LYS A 110 9.599 -11.994 -5.891 1.00 43.44 H new ATOM 0 HD3 LYS A 110 8.859 -10.693 -6.803 1.00 43.44 H new ATOM 0 HE2 LYS A 110 11.433 -9.877 -6.954 1.00 44.51 H new ATOM 0 HE3 LYS A 110 11.717 -11.593 -6.746 1.00 44.51 H new ATOM 0 HZ1 LYS A 110 11.552 -11.009 -9.076 1.00 34.32 H new ATOM 0 HZ2 LYS A 110 10.270 -12.035 -8.645 1.00 34.32 H new ATOM 0 HZ3 LYS A 110 9.995 -10.372 -8.846 1.00 34.32 H new ATOM 1684 N PHE A 111 6.735 -7.529 -3.783 1.00 33.42 N ATOM 1685 CA PHE A 111 5.945 -7.579 -2.575 1.00 12.40 C ATOM 1686 C PHE A 111 4.588 -8.187 -2.846 1.00 40.41 C ATOM 1687 O PHE A 111 4.362 -9.359 -2.574 1.00 21.53 O ATOM 1688 CB PHE A 111 5.786 -6.180 -2.006 1.00 64.35 C ATOM 1689 CG PHE A 111 5.445 -6.139 -0.545 1.00 33.13 C ATOM 1690 CD1 PHE A 111 4.338 -6.818 -0.059 1.00 43.23 C ATOM 1691 CD2 PHE A 111 6.220 -5.409 0.340 1.00 12.22 C ATOM 1692 CE1 PHE A 111 4.013 -6.770 1.281 1.00 33.12 C ATOM 1693 CE2 PHE A 111 5.900 -5.359 1.683 1.00 2.32 C ATOM 1694 CZ PHE A 111 4.793 -6.040 2.153 1.00 24.21 C ATOM 0 H PHE A 111 6.938 -6.586 -4.114 1.00 33.42 H new ATOM 0 HA PHE A 111 6.461 -8.206 -1.848 1.00 12.40 H new ATOM 0 HB2 PHE A 111 6.713 -5.629 -2.166 1.00 64.35 H new ATOM 0 HB3 PHE A 111 5.006 -5.661 -2.563 1.00 64.35 H new ATOM 0 HD1 PHE A 111 3.723 -7.391 -0.737 1.00 43.23 H new ATOM 0 HD2 PHE A 111 7.084 -4.873 -0.023 1.00 12.22 H new ATOM 0 HE1 PHE A 111 3.148 -7.304 1.647 1.00 33.12 H new ATOM 0 HE2 PHE A 111 6.514 -4.789 2.364 1.00 2.32 H new ATOM 0 HZ PHE A 111 4.539 -6.000 3.202 1.00 24.21 H new ATOM 1704 N ILE A 112 3.692 -7.390 -3.411 1.00 71.40 N ATOM 1705 CA ILE A 112 2.360 -7.867 -3.735 1.00 72.10 C ATOM 1706 C ILE A 112 2.434 -8.958 -4.792 1.00 63.21 C ATOM 1707 O ILE A 112 1.430 -9.580 -5.129 1.00 61.34 O ATOM 1708 CB ILE A 112 1.452 -6.731 -4.247 1.00 62.25 C ATOM 1709 CG1 ILE A 112 1.747 -5.423 -3.505 1.00 44.50 C ATOM 1710 CG2 ILE A 112 -0.008 -7.116 -4.085 1.00 72.03 C ATOM 1711 CD1 ILE A 112 2.547 -4.433 -4.323 1.00 24.14 C ATOM 0 H ILE A 112 3.865 -6.414 -3.653 1.00 71.40 H new ATOM 0 HA ILE A 112 1.929 -8.265 -2.816 1.00 72.10 H new ATOM 0 HB ILE A 112 1.658 -6.574 -5.306 1.00 62.25 H new ATOM 0 HG12 ILE A 112 0.805 -4.961 -3.210 1.00 44.50 H new ATOM 0 HG13 ILE A 112 2.292 -5.649 -2.588 1.00 44.50 H new ATOM 0 HG21 ILE A 112 -0.640 -6.307 -4.450 1.00 72.03 H new ATOM 0 HG22 ILE A 112 -0.211 -8.021 -4.657 1.00 72.03 H new ATOM 0 HG23 ILE A 112 -0.222 -7.297 -3.032 1.00 72.03 H new ATOM 0 HD11 ILE A 112 2.719 -3.531 -3.736 1.00 24.14 H new ATOM 0 HD12 ILE A 112 3.505 -4.876 -4.596 1.00 24.14 H new ATOM 0 HD13 ILE A 112 1.995 -4.178 -5.227 1.00 24.14 H new ATOM 1723 N ALA A 113 3.636 -9.196 -5.303 1.00 65.34 N ATOM 1724 CA ALA A 113 3.831 -10.228 -6.325 1.00 25.50 C ATOM 1725 C ALA A 113 4.198 -11.565 -5.696 1.00 50.32 C ATOM 1726 O ALA A 113 3.997 -12.621 -6.295 1.00 62.32 O ATOM 1727 CB ALA A 113 4.890 -9.811 -7.332 1.00 31.51 C ATOM 0 H ALA A 113 4.484 -8.697 -5.033 1.00 65.34 H new ATOM 0 HA ALA A 113 2.884 -10.346 -6.852 1.00 25.50 H new ATOM 0 HB1 ALA A 113 5.013 -10.597 -8.078 1.00 31.51 H new ATOM 0 HB2 ALA A 113 4.581 -8.889 -7.824 1.00 31.51 H new ATOM 0 HB3 ALA A 113 5.837 -9.648 -6.818 1.00 31.51 H new ATOM 1733 N GLU A 114 4.711 -11.511 -4.477 1.00 22.41 N ATOM 1734 CA GLU A 114 5.080 -12.720 -3.746 1.00 51.43 C ATOM 1735 C GLU A 114 4.213 -12.824 -2.505 1.00 52.15 C ATOM 1736 O GLU A 114 3.988 -13.905 -1.959 1.00 3.41 O ATOM 1737 CB GLU A 114 6.560 -12.690 -3.363 1.00 23.01 C ATOM 1738 CG GLU A 114 7.492 -12.825 -4.555 1.00 60.52 C ATOM 1739 CD GLU A 114 8.531 -13.913 -4.366 1.00 52.03 C ATOM 1740 OE1 GLU A 114 9.147 -13.964 -3.280 1.00 21.42 O ATOM 1741 OE2 GLU A 114 8.729 -14.714 -5.303 1.00 33.21 O ATOM 0 H GLU A 114 4.883 -10.643 -3.970 1.00 22.41 H new ATOM 0 HA GLU A 114 4.919 -13.591 -4.381 1.00 51.43 H new ATOM 0 HB2 GLU A 114 6.776 -11.755 -2.846 1.00 23.01 H new ATOM 0 HB3 GLU A 114 6.762 -13.497 -2.659 1.00 23.01 H new ATOM 0 HG2 GLU A 114 6.905 -13.041 -5.448 1.00 60.52 H new ATOM 0 HG3 GLU A 114 7.995 -11.874 -4.727 1.00 60.52 H new ATOM 1748 N ASN A 115 3.717 -11.670 -2.092 1.00 45.32 N ATOM 1749 CA ASN A 115 2.854 -11.536 -0.955 1.00 63.32 C ATOM 1750 C ASN A 115 1.413 -11.541 -1.425 1.00 23.34 C ATOM 1751 O ASN A 115 0.510 -11.986 -0.716 1.00 24.10 O ATOM 1752 CB ASN A 115 3.185 -10.222 -0.268 1.00 63.53 C ATOM 1753 CG ASN A 115 4.485 -10.301 0.496 1.00 20.43 C ATOM 1754 OD1 ASN A 115 4.542 -10.792 1.621 1.00 74.23 O ATOM 1755 ND2 ASN A 115 5.540 -9.825 -0.137 1.00 70.42 N ATOM 0 H ASN A 115 3.915 -10.784 -2.557 1.00 45.32 H new ATOM 0 HA ASN A 115 2.995 -12.361 -0.256 1.00 63.32 H new ATOM 0 HB2 ASN A 115 3.249 -9.428 -1.013 1.00 63.53 H new ATOM 0 HB3 ASN A 115 2.378 -9.955 0.414 1.00 63.53 H new ATOM 0 HD21 ASN A 115 6.458 -9.855 0.307 1.00 70.42 H new ATOM 0 HD22 ASN A 115 5.438 -9.428 -1.071 1.00 70.42 H new ATOM 1762 N GLY A 116 1.212 -11.040 -2.642 1.00 52.13 N ATOM 1763 CA GLY A 116 -0.107 -10.991 -3.207 1.00 0.40 C ATOM 1764 C GLY A 116 -0.548 -12.324 -3.771 1.00 4.13 C ATOM 1765 O GLY A 116 0.276 -13.200 -4.032 1.00 12.25 O ATOM 0 H GLY A 116 1.949 -10.668 -3.241 1.00 52.13 H new ATOM 0 HA2 GLY A 116 -0.815 -10.673 -2.442 1.00 0.40 H new ATOM 0 HA3 GLY A 116 -0.132 -10.240 -3.997 1.00 0.40 H new ATOM 1769 N LYS A 117 -1.848 -12.466 -3.985 1.00 30.14 N ATOM 1770 CA LYS A 117 -2.398 -13.689 -4.554 1.00 65.20 C ATOM 1771 C LYS A 117 -2.408 -13.552 -6.058 1.00 20.51 C ATOM 1772 O LYS A 117 -2.232 -14.520 -6.797 1.00 72.22 O ATOM 1773 CB LYS A 117 -3.820 -13.934 -4.057 1.00 72.12 C ATOM 1774 CG LYS A 117 -3.925 -14.076 -2.549 1.00 74.02 C ATOM 1775 CD LYS A 117 -3.720 -15.517 -2.110 1.00 64.42 C ATOM 1776 CE LYS A 117 -2.280 -15.776 -1.700 1.00 24.11 C ATOM 1777 NZ LYS A 117 -2.028 -17.220 -1.439 1.00 51.02 N ATOM 0 H LYS A 117 -2.542 -11.749 -3.773 1.00 30.14 H new ATOM 0 HA LYS A 117 -1.782 -14.534 -4.247 1.00 65.20 H new ATOM 0 HB2 LYS A 117 -4.455 -13.109 -4.380 1.00 72.12 H new ATOM 0 HB3 LYS A 117 -4.208 -14.838 -4.526 1.00 72.12 H new ATOM 0 HG2 LYS A 117 -3.181 -13.439 -2.070 1.00 74.02 H new ATOM 0 HG3 LYS A 117 -4.903 -13.729 -2.217 1.00 74.02 H new ATOM 0 HD2 LYS A 117 -4.383 -15.741 -1.274 1.00 64.42 H new ATOM 0 HD3 LYS A 117 -3.994 -16.189 -2.924 1.00 64.42 H new ATOM 0 HE2 LYS A 117 -1.610 -15.427 -2.486 1.00 24.11 H new ATOM 0 HE3 LYS A 117 -2.048 -15.199 -0.805 1.00 24.11 H new ATOM 0 HZ1 LYS A 117 -1.035 -17.355 -1.162 1.00 51.02 H new ATOM 0 HZ2 LYS A 117 -2.649 -17.548 -0.672 1.00 51.02 H new ATOM 0 HZ3 LYS A 117 -2.224 -17.768 -2.301 1.00 51.02 H new ATOM 1791 N TYR A 118 -2.604 -12.317 -6.492 1.00 41.14 N ATOM 1792 CA TYR A 118 -2.627 -11.988 -7.894 1.00 54.21 C ATOM 1793 C TYR A 118 -1.226 -12.122 -8.487 1.00 31.22 C ATOM 1794 O TYR A 118 -1.066 -12.308 -9.693 1.00 64.22 O ATOM 1795 CB TYR A 118 -3.144 -10.562 -8.068 1.00 73.14 C ATOM 1796 CG TYR A 118 -4.577 -10.487 -8.541 1.00 21.42 C ATOM 1797 CD1 TYR A 118 -4.886 -10.472 -9.895 1.00 22.41 C ATOM 1798 CD2 TYR A 118 -5.623 -10.432 -7.628 1.00 31.41 C ATOM 1799 CE1 TYR A 118 -6.198 -10.403 -10.326 1.00 2.21 C ATOM 1800 CE2 TYR A 118 -6.936 -10.364 -8.050 1.00 61.32 C ATOM 1801 CZ TYR A 118 -7.219 -10.350 -9.400 1.00 61.51 C ATOM 1802 OH TYR A 118 -8.526 -10.282 -9.825 1.00 31.31 O ATOM 0 H TYR A 118 -2.751 -11.519 -5.875 1.00 41.14 H new ATOM 0 HA TYR A 118 -3.289 -12.676 -8.419 1.00 54.21 H new ATOM 0 HB2 TYR A 118 -3.057 -10.035 -7.118 1.00 73.14 H new ATOM 0 HB3 TYR A 118 -2.508 -10.039 -8.782 1.00 73.14 H new ATOM 0 HD1 TYR A 118 -4.089 -10.515 -10.623 1.00 22.41 H new ATOM 0 HD2 TYR A 118 -5.405 -10.443 -6.570 1.00 31.41 H new ATOM 0 HE1 TYR A 118 -6.422 -10.391 -11.382 1.00 2.21 H new ATOM 0 HE2 TYR A 118 -7.737 -10.322 -7.327 1.00 61.32 H new ATOM 0 HH TYR A 118 -9.122 -10.252 -9.047 1.00 31.31 H new ATOM 1812 N LYS A 119 -0.211 -12.029 -7.623 1.00 14.21 N ATOM 1813 CA LYS A 119 1.176 -12.142 -8.055 1.00 21.52 C ATOM 1814 C LYS A 119 1.498 -11.126 -9.146 1.00 1.24 C ATOM 1815 O LYS A 119 2.196 -11.437 -10.111 1.00 32.33 O ATOM 1816 CB LYS A 119 1.465 -13.555 -8.558 1.00 42.53 C ATOM 1817 CG LYS A 119 0.842 -14.647 -7.705 1.00 41.10 C ATOM 1818 CD LYS A 119 1.446 -14.673 -6.311 1.00 73.22 C ATOM 1819 CE LYS A 119 0.703 -15.637 -5.399 1.00 43.03 C ATOM 1820 NZ LYS A 119 1.237 -15.610 -4.010 1.00 25.12 N ATOM 0 H LYS A 119 -0.329 -11.876 -6.621 1.00 14.21 H new ATOM 0 HA LYS A 119 1.811 -11.933 -7.194 1.00 21.52 H new ATOM 0 HB2 LYS A 119 1.097 -13.650 -9.579 1.00 42.53 H new ATOM 0 HB3 LYS A 119 2.544 -13.705 -8.593 1.00 42.53 H new ATOM 0 HG2 LYS A 119 -0.234 -14.486 -7.634 1.00 41.10 H new ATOM 0 HG3 LYS A 119 0.989 -15.614 -8.185 1.00 41.10 H new ATOM 0 HD2 LYS A 119 2.494 -14.964 -6.373 1.00 73.22 H new ATOM 0 HD3 LYS A 119 1.418 -13.671 -5.883 1.00 73.22 H new ATOM 0 HE2 LYS A 119 -0.356 -15.381 -5.386 1.00 43.03 H new ATOM 0 HE3 LYS A 119 0.781 -16.648 -5.798 1.00 43.03 H new ATOM 0 HZ1 LYS A 119 0.715 -16.293 -3.424 1.00 25.12 H new ATOM 0 HZ2 LYS A 119 2.246 -15.863 -4.021 1.00 25.12 H new ATOM 0 HZ3 LYS A 119 1.124 -14.656 -3.613 1.00 25.12 H new ATOM 1834 N ALA A 120 0.988 -9.911 -8.984 1.00 74.40 N ATOM 1835 CA ALA A 120 1.227 -8.851 -9.955 1.00 54.30 C ATOM 1836 C ALA A 120 2.685 -8.406 -9.928 1.00 30.52 C ATOM 1837 O ALA A 120 3.111 -7.697 -9.017 1.00 33.35 O ATOM 1838 CB ALA A 120 0.306 -7.671 -9.686 1.00 64.55 C ATOM 0 H ALA A 120 0.408 -9.636 -8.191 1.00 74.40 H new ATOM 0 HA ALA A 120 1.012 -9.244 -10.949 1.00 54.30 H new ATOM 0 HB1 ALA A 120 0.496 -6.887 -10.419 1.00 64.55 H new ATOM 0 HB2 ALA A 120 -0.732 -7.995 -9.762 1.00 64.55 H new ATOM 0 HB3 ALA A 120 0.493 -7.284 -8.684 1.00 64.55 H new ATOM 1844 N ALA A 121 3.445 -8.824 -10.935 1.00 10.42 N ATOM 1845 CA ALA A 121 4.854 -8.467 -11.028 1.00 22.33 C ATOM 1846 C ALA A 121 5.244 -8.142 -12.467 1.00 32.25 C ATOM 1847 O ALA A 121 5.523 -6.958 -12.750 1.00 52.14 O ATOM 1848 CB ALA A 121 5.720 -9.594 -10.483 1.00 73.22 C ATOM 1849 OXT ALA A 121 5.268 -9.075 -13.298 1.00 38.03 O ATOM 0 H ALA A 121 3.107 -9.411 -11.698 1.00 10.42 H new ATOM 0 HA ALA A 121 5.019 -7.574 -10.425 1.00 22.33 H new ATOM 0 HB1 ALA A 121 6.771 -9.314 -10.558 1.00 73.22 H new ATOM 0 HB2 ALA A 121 5.467 -9.775 -9.438 1.00 73.22 H new ATOM 0 HB3 ALA A 121 5.543 -10.501 -11.061 1.00 73.22 H new