USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=26 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 86 LYS NZ :NH3+ 167:sc= 1.18 (180deg=-0.0242) USER MOD Set 1.2: A 98 THR OG1 : rot -169:sc= 0.986 USER MOD Set 2.1: A 17 TYR OH : rot 180:sc= 1.02 USER MOD Set 2.2: A 88 TYR OH : rot 95:sc= 1.21 USER MOD Single : A 10 THR OG1 : rot -120:sc= -2.09 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN :FLIP amide:sc= -3.42! C(o=-5.2!,f=-3.4!) USER MOD Single : A 18 ASN : amide:sc= -0.0353 X(o=-0.035,f=-0.43) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= -0.264 USER MOD Single : A 37 CYS SG : rot -100:sc= -1.24 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 CYS SG : rot -67:sc= -2.18 USER MOD Single : A 41 LYS NZ :NH3+ -155:sc= -0.035 (180deg=-0.977) USER MOD Single : A 46 LYS NZ :NH3+ -136:sc= -3.45! (180deg=-5.27!) USER MOD Single : A 47 TYR OH : rot -126:sc= -1.11! USER MOD Single : A 54 TYR OH : rot -23:sc= 0.987 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -102:sc= 1.05 USER MOD Single : A 60 LYS NZ :NH3+ 176:sc= 0.186 (180deg=0.185) USER MOD Single : A 67 LYS NZ :NH3+ -120:sc= 1.33 (180deg=-1.68) USER MOD Single : A 71 THR OG1 : rot -33:sc= 0.343 USER MOD Single : A 73 ASN : amide:sc= -6.08 K(o=-6.1,f=-6.9!) USER MOD Single : A 84 THR OG1 : rot -14:sc= 0.588 USER MOD Single : A 93 LYS NZ :NH3+ 146:sc= -1.49 (180deg=-3.23!) USER MOD Single : A 95 GLN : amide:sc= -0.012 X(o=-0.012,f=-0.14) 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 180:sc= -0.624 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= -7.01! C(o=-7!,f=-9.5!) USER MOD Single : A 117 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.154) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N PRO A 8 -2.202 9.115 -7.001 1.00 14.24 N ATOM 84 CA PRO A 8 -2.569 7.816 -7.556 1.00 15.51 C ATOM 85 C PRO A 8 -2.799 6.762 -6.482 1.00 72.52 C ATOM 86 O PRO A 8 -3.818 6.072 -6.478 1.00 41.40 O ATOM 87 CB PRO A 8 -1.348 7.442 -8.387 1.00 3.35 C ATOM 88 CG PRO A 8 -0.197 8.100 -7.706 1.00 63.20 C ATOM 89 CD PRO A 8 -0.741 9.304 -6.972 1.00 34.42 C ATOM 0 HA PRO A 8 -3.503 7.866 -8.116 1.00 15.51 H new ATOM 0 HB2 PRO A 8 -1.216 6.361 -8.428 1.00 3.35 H new ATOM 0 HB3 PRO A 8 -1.449 7.790 -9.415 1.00 3.35 H new ATOM 0 HG2 PRO A 8 0.284 7.411 -7.012 1.00 63.20 H new ATOM 0 HG3 PRO A 8 0.559 8.401 -8.432 1.00 63.20 H new ATOM 0 HD2 PRO A 8 -0.366 9.350 -5.950 1.00 34.42 H new ATOM 0 HD3 PRO A 8 -0.450 10.234 -7.461 1.00 34.42 H new ATOM 97 N VAL A 9 -1.834 6.636 -5.578 1.00 44.12 N ATOM 98 CA VAL A 9 -1.912 5.660 -4.504 1.00 62.33 C ATOM 99 C VAL A 9 -3.178 5.860 -3.677 1.00 22.23 C ATOM 100 O VAL A 9 -3.550 6.986 -3.346 1.00 54.03 O ATOM 101 CB VAL A 9 -0.644 5.718 -3.619 1.00 64.01 C ATOM 102 CG1 VAL A 9 -0.908 6.347 -2.258 1.00 13.52 C ATOM 103 CG2 VAL A 9 -0.042 4.336 -3.463 1.00 42.03 C ATOM 0 H VAL A 9 -0.985 7.202 -5.570 1.00 44.12 H new ATOM 0 HA VAL A 9 -1.963 4.666 -4.948 1.00 62.33 H new ATOM 0 HB VAL A 9 0.072 6.362 -4.130 1.00 64.01 H new ATOM 0 HG11 VAL A 9 0.015 6.362 -1.679 1.00 13.52 H new ATOM 0 HG12 VAL A 9 -1.269 7.367 -2.392 1.00 13.52 H new ATOM 0 HG13 VAL A 9 -1.660 5.763 -1.727 1.00 13.52 H new ATOM 0 HG21 VAL A 9 0.849 4.396 -2.838 1.00 42.03 H new ATOM 0 HG22 VAL A 9 -0.770 3.673 -2.995 1.00 42.03 H new ATOM 0 HG23 VAL A 9 0.229 3.944 -4.444 1.00 42.03 H new ATOM 113 N THR A 10 -3.845 4.757 -3.373 1.00 5.01 N ATOM 114 CA THR A 10 -5.086 4.796 -2.610 1.00 75.12 C ATOM 115 C THR A 10 -4.840 5.120 -1.141 1.00 31.32 C ATOM 116 O THR A 10 -4.791 4.223 -0.299 1.00 72.42 O ATOM 117 CB THR A 10 -5.820 3.460 -2.731 1.00 63.14 C ATOM 118 OG1 THR A 10 -6.080 3.153 -4.088 1.00 31.52 O ATOM 119 CG2 THR A 10 -7.142 3.434 -1.994 1.00 13.33 C ATOM 0 H THR A 10 -3.547 3.820 -3.644 1.00 5.01 H new ATOM 0 HA THR A 10 -5.703 5.592 -3.028 1.00 75.12 H new ATOM 0 HB THR A 10 -5.156 2.724 -2.279 1.00 63.14 H new ATOM 0 HG1 THR A 10 -7.047 3.068 -4.225 1.00 31.52 H new ATOM 0 HG21 THR A 10 -7.610 2.458 -2.121 1.00 13.33 H new ATOM 0 HG22 THR A 10 -6.971 3.619 -0.934 1.00 13.33 H new ATOM 0 HG23 THR A 10 -7.798 4.206 -2.396 1.00 13.33 H new ATOM 127 N VAL A 11 -4.711 6.406 -0.834 1.00 71.41 N ATOM 128 CA VAL A 11 -4.501 6.838 0.540 1.00 3.10 C ATOM 129 C VAL A 11 -5.791 6.677 1.332 1.00 13.32 C ATOM 130 O VAL A 11 -6.546 7.632 1.514 1.00 52.32 O ATOM 131 CB VAL A 11 -4.042 8.307 0.614 1.00 61.10 C ATOM 132 CG1 VAL A 11 -3.607 8.660 2.028 1.00 2.44 C ATOM 133 CG2 VAL A 11 -2.918 8.565 -0.378 1.00 12.43 C ATOM 0 H VAL A 11 -4.748 7.164 -1.516 1.00 71.41 H new ATOM 0 HA VAL A 11 -3.715 6.214 0.966 1.00 3.10 H new ATOM 0 HB VAL A 11 -4.884 8.946 0.348 1.00 61.10 H new ATOM 0 HG11 VAL A 11 -3.286 9.701 2.061 1.00 2.44 H new ATOM 0 HG12 VAL A 11 -4.443 8.516 2.712 1.00 2.44 H new ATOM 0 HG13 VAL A 11 -2.780 8.016 2.326 1.00 2.44 H new ATOM 0 HG21 VAL A 11 -2.606 9.607 -0.312 1.00 12.43 H new ATOM 0 HG22 VAL A 11 -2.072 7.918 -0.146 1.00 12.43 H new ATOM 0 HG23 VAL A 11 -3.269 8.355 -1.388 1.00 12.43 H new ATOM 143 N VAL A 12 -6.047 5.454 1.781 1.00 12.21 N ATOM 144 CA VAL A 12 -7.256 5.154 2.531 1.00 51.53 C ATOM 145 C VAL A 12 -7.049 5.346 4.027 1.00 64.22 C ATOM 146 O VAL A 12 -6.086 4.841 4.601 1.00 52.11 O ATOM 147 CB VAL A 12 -7.725 3.707 2.261 1.00 72.12 C ATOM 148 CG1 VAL A 12 -6.923 2.707 3.078 1.00 64.02 C ATOM 149 CG2 VAL A 12 -9.206 3.559 2.551 1.00 65.23 C ATOM 0 H VAL A 12 -5.431 4.654 1.637 1.00 12.21 H new ATOM 0 HA VAL A 12 -8.023 5.852 2.194 1.00 51.53 H new ATOM 0 HB VAL A 12 -7.555 3.495 1.205 1.00 72.12 H new ATOM 0 HG11 VAL A 12 -7.276 1.698 2.866 1.00 64.02 H new ATOM 0 HG12 VAL A 12 -5.868 2.785 2.815 1.00 64.02 H new ATOM 0 HG13 VAL A 12 -7.049 2.920 4.140 1.00 64.02 H new ATOM 0 HG21 VAL A 12 -9.515 2.532 2.354 1.00 65.23 H new ATOM 0 HG22 VAL A 12 -9.398 3.801 3.596 1.00 65.23 H new ATOM 0 HG23 VAL A 12 -9.771 4.237 1.912 1.00 65.23 H new ATOM 159 N VAL A 13 -7.969 6.063 4.657 1.00 73.01 N ATOM 160 CA VAL A 13 -7.892 6.297 6.088 1.00 12.41 C ATOM 161 C VAL A 13 -8.446 5.096 6.842 1.00 65.31 C ATOM 162 O VAL A 13 -9.181 4.286 6.277 1.00 22.01 O ATOM 163 CB VAL A 13 -8.671 7.559 6.502 1.00 70.44 C ATOM 164 CG1 VAL A 13 -7.931 8.812 6.060 1.00 61.55 C ATOM 165 CG2 VAL A 13 -10.079 7.533 5.927 1.00 24.13 C ATOM 0 H VAL A 13 -8.774 6.491 4.200 1.00 73.01 H new ATOM 0 HA VAL A 13 -6.842 6.445 6.340 1.00 12.41 H new ATOM 0 HB VAL A 13 -8.749 7.574 7.589 1.00 70.44 H new ATOM 0 HG11 VAL A 13 -8.496 9.694 6.361 1.00 61.55 H new ATOM 0 HG12 VAL A 13 -6.946 8.836 6.526 1.00 61.55 H new ATOM 0 HG13 VAL A 13 -7.820 8.805 4.976 1.00 61.55 H new ATOM 0 HG21 VAL A 13 -10.613 8.433 6.231 1.00 24.13 H new ATOM 0 HG22 VAL A 13 -10.027 7.492 4.839 1.00 24.13 H new ATOM 0 HG23 VAL A 13 -10.607 6.655 6.298 1.00 24.13 H new ATOM 175 N ALA A 14 -8.099 4.982 8.118 1.00 50.31 N ATOM 176 CA ALA A 14 -8.573 3.872 8.938 1.00 20.23 C ATOM 177 C ALA A 14 -10.088 3.709 8.823 1.00 61.22 C ATOM 178 O ALA A 14 -10.627 2.631 9.073 1.00 75.33 O ATOM 179 CB ALA A 14 -8.172 4.081 10.389 1.00 3.45 C ATOM 0 H ALA A 14 -7.493 5.641 8.607 1.00 50.31 H new ATOM 0 HA ALA A 14 -8.108 2.957 8.571 1.00 20.23 H new ATOM 0 HB1 ALA A 14 -8.532 3.246 10.990 1.00 3.45 H new ATOM 0 HB2 ALA A 14 -7.086 4.139 10.462 1.00 3.45 H new ATOM 0 HB3 ALA A 14 -8.610 5.008 10.758 1.00 3.45 H new ATOM 185 N LYS A 15 -10.766 4.789 8.448 1.00 73.33 N ATOM 186 CA LYS A 15 -12.214 4.777 8.303 1.00 2.31 C ATOM 187 C LYS A 15 -12.655 3.884 7.139 1.00 0.43 C ATOM 188 O LYS A 15 -13.701 3.239 7.212 1.00 73.50 O ATOM 189 CB LYS A 15 -12.723 6.210 8.103 1.00 53.11 C ATOM 190 CG LYS A 15 -14.094 6.301 7.449 1.00 42.31 C ATOM 191 CD LYS A 15 -14.931 7.414 8.059 1.00 3.33 C ATOM 192 CE LYS A 15 -15.919 6.872 9.079 1.00 2.15 C ATOM 193 NZ LYS A 15 -15.249 6.498 10.356 1.00 24.30 N ATOM 0 H LYS A 15 -10.331 5.688 8.238 1.00 73.33 H new ATOM 0 HA LYS A 15 -12.646 4.363 9.214 1.00 2.31 H new ATOM 0 HB2 LYS A 15 -12.762 6.708 9.072 1.00 53.11 H new ATOM 0 HB3 LYS A 15 -12.005 6.756 7.492 1.00 53.11 H new ATOM 0 HG2 LYS A 15 -13.977 6.477 6.380 1.00 42.31 H new ATOM 0 HG3 LYS A 15 -14.615 5.350 7.560 1.00 42.31 H new ATOM 0 HD2 LYS A 15 -14.276 8.143 8.537 1.00 3.33 H new ATOM 0 HD3 LYS A 15 -15.471 7.939 7.271 1.00 3.33 H new ATOM 0 HE2 LYS A 15 -16.685 7.622 9.277 1.00 2.15 H new ATOM 0 HE3 LYS A 15 -16.426 6.000 8.666 1.00 2.15 H new ATOM 0 HZ1 LYS A 15 -15.956 6.133 11.025 1.00 24.30 H new ATOM 0 HZ2 LYS A 15 -14.536 5.764 10.172 1.00 24.30 H new ATOM 0 HZ3 LYS A 15 -14.787 7.336 10.764 1.00 24.30 H new ATOM 207 N ASN A 16 -11.869 3.856 6.063 1.00 62.45 N ATOM 208 CA ASN A 16 -12.220 3.041 4.898 1.00 24.10 C ATOM 209 C ASN A 16 -11.203 1.940 4.628 1.00 13.24 C ATOM 210 O ASN A 16 -11.415 1.104 3.756 1.00 70.35 O ATOM 211 CB ASN A 16 -12.376 3.897 3.641 1.00 75.23 C ATOM 212 CG ASN A 16 -12.366 5.378 3.918 1.00 52.33 C ATOM 213 OD1 ASN A 16 -11.247 6.000 3.619 1.00 74.31 O flip ATOM 214 ND2 ASN A 16 -13.350 5.949 4.386 1.00 72.22 N flip ATOM 0 H ASN A 16 -10.998 4.379 5.972 1.00 62.45 H new ATOM 0 HA ASN A 16 -13.175 2.574 5.140 1.00 24.10 H new ATOM 0 HB2 ASN A 16 -11.570 3.660 2.947 1.00 75.23 H new ATOM 0 HB3 ASN A 16 -13.311 3.634 3.146 1.00 75.23 H new ATOM 0 HD21 ASN A 16 -14.194 5.418 4.600 1.00 72.22 H new ATOM 0 HD22 ASN A 16 -13.322 6.954 4.560 1.00 72.22 H new ATOM 221 N TYR A 17 -10.100 1.938 5.360 1.00 73.13 N ATOM 222 CA TYR A 17 -9.073 0.934 5.175 1.00 31.51 C ATOM 223 C TYR A 17 -9.627 -0.487 5.318 1.00 30.21 C ATOM 224 O TYR A 17 -8.993 -1.449 4.887 1.00 22.14 O ATOM 225 CB TYR A 17 -7.959 1.175 6.181 1.00 10.24 C ATOM 226 CG TYR A 17 -7.562 -0.058 6.962 1.00 54.51 C ATOM 227 CD1 TYR A 17 -6.736 -1.021 6.404 1.00 41.43 C ATOM 228 CD2 TYR A 17 -8.028 -0.261 8.253 1.00 60.52 C ATOM 229 CE1 TYR A 17 -6.382 -2.153 7.109 1.00 53.20 C ATOM 230 CE2 TYR A 17 -7.680 -1.390 8.968 1.00 61.12 C ATOM 231 CZ TYR A 17 -6.856 -2.333 8.392 1.00 1.23 C ATOM 232 OH TYR A 17 -6.508 -3.459 9.101 1.00 64.43 O ATOM 0 H TYR A 17 -9.896 2.623 6.088 1.00 73.13 H new ATOM 0 HA TYR A 17 -8.684 1.021 4.160 1.00 31.51 H new ATOM 0 HB2 TYR A 17 -7.084 1.557 5.655 1.00 10.24 H new ATOM 0 HB3 TYR A 17 -8.275 1.950 6.880 1.00 10.24 H new ATOM 0 HD1 TYR A 17 -6.363 -0.883 5.400 1.00 41.43 H new ATOM 0 HD2 TYR A 17 -8.674 0.476 8.706 1.00 60.52 H new ATOM 0 HE1 TYR A 17 -5.738 -2.894 6.659 1.00 53.20 H new ATOM 0 HE2 TYR A 17 -8.051 -1.533 9.972 1.00 61.12 H new ATOM 0 HH TYR A 17 -6.925 -3.430 9.987 1.00 64.43 H new ATOM 242 N ASN A 18 -10.812 -0.617 5.902 1.00 10.22 N ATOM 243 CA ASN A 18 -11.434 -1.918 6.066 1.00 34.50 C ATOM 244 C ASN A 18 -12.432 -2.127 4.940 1.00 51.55 C ATOM 245 O ASN A 18 -13.098 -3.158 4.847 1.00 73.34 O ATOM 246 CB ASN A 18 -12.131 -2.007 7.426 1.00 33.25 C ATOM 247 CG ASN A 18 -13.338 -1.094 7.525 1.00 43.31 C ATOM 248 OD1 ASN A 18 -14.427 -1.432 7.061 1.00 72.43 O ATOM 249 ND2 ASN A 18 -13.149 0.072 8.132 1.00 21.11 N ATOM 0 H ASN A 18 -11.358 0.163 6.268 1.00 10.22 H new ATOM 0 HA ASN A 18 -10.673 -2.698 6.028 1.00 34.50 H new ATOM 0 HB2 ASN A 18 -12.443 -3.036 7.603 1.00 33.25 H new ATOM 0 HB3 ASN A 18 -11.420 -1.750 8.212 1.00 33.25 H new ATOM 0 HD21 ASN A 18 -13.924 0.728 8.228 1.00 21.11 H new ATOM 0 HD22 ASN A 18 -12.229 0.311 8.502 1.00 21.11 H new ATOM 256 N GLU A 19 -12.534 -1.102 4.107 1.00 74.43 N ATOM 257 CA GLU A 19 -13.437 -1.081 2.992 1.00 71.35 C ATOM 258 C GLU A 19 -12.677 -1.099 1.665 1.00 43.22 C ATOM 259 O GLU A 19 -13.195 -1.560 0.647 1.00 73.12 O ATOM 260 CB GLU A 19 -14.266 0.188 3.112 1.00 22.30 C ATOM 261 CG GLU A 19 -15.752 -0.048 3.002 1.00 32.11 C ATOM 262 CD GLU A 19 -16.363 0.592 1.770 1.00 63.10 C ATOM 263 OE1 GLU A 19 -15.652 0.716 0.751 1.00 13.41 O ATOM 264 OE2 GLU A 19 -17.553 0.967 1.825 1.00 3.41 O ATOM 0 H GLU A 19 -11.977 -0.252 4.198 1.00 74.43 H new ATOM 0 HA GLU A 19 -14.073 -1.966 3.005 1.00 71.35 H new ATOM 0 HB2 GLU A 19 -14.052 0.662 4.070 1.00 22.30 H new ATOM 0 HB3 GLU A 19 -13.959 0.887 2.334 1.00 22.30 H new ATOM 0 HG2 GLU A 19 -15.944 -1.121 2.980 1.00 32.11 H new ATOM 0 HG3 GLU A 19 -16.244 0.346 3.891 1.00 32.11 H new ATOM 271 N ILE A 20 -11.453 -0.572 1.681 1.00 42.00 N ATOM 272 CA ILE A 20 -10.629 -0.503 0.478 1.00 52.51 C ATOM 273 C ILE A 20 -9.446 -1.468 0.528 1.00 35.23 C ATOM 274 O ILE A 20 -9.166 -2.166 -0.447 1.00 61.03 O ATOM 275 CB ILE A 20 -10.076 0.916 0.258 1.00 24.15 C ATOM 276 CG1 ILE A 20 -11.118 1.973 0.636 1.00 54.14 C ATOM 277 CG2 ILE A 20 -9.631 1.090 -1.186 1.00 31.52 C ATOM 278 CD1 ILE A 20 -12.312 2.011 -0.291 1.00 65.13 C ATOM 0 H ILE A 20 -11.011 -0.187 2.516 1.00 42.00 H new ATOM 0 HA ILE A 20 -11.286 -0.783 -0.345 1.00 52.51 H new ATOM 0 HB ILE A 20 -9.210 1.052 0.906 1.00 24.15 H new ATOM 0 HG12 ILE A 20 -11.464 1.782 1.652 1.00 54.14 H new ATOM 0 HG13 ILE A 20 -10.642 2.954 0.641 1.00 54.14 H new ATOM 0 HG21 ILE A 20 -9.242 2.098 -1.328 1.00 31.52 H new ATOM 0 HG22 ILE A 20 -8.851 0.364 -1.416 1.00 31.52 H new ATOM 0 HG23 ILE A 20 -10.481 0.932 -1.850 1.00 31.52 H new ATOM 0 HD11 ILE A 20 -13.006 2.784 0.041 1.00 65.13 H new ATOM 0 HD12 ILE A 20 -11.979 2.233 -1.305 1.00 65.13 H new ATOM 0 HD13 ILE A 20 -12.814 1.043 -0.278 1.00 65.13 H new ATOM 290 N VAL A 21 -8.749 -1.503 1.661 1.00 13.15 N ATOM 291 CA VAL A 21 -7.596 -2.381 1.815 1.00 74.31 C ATOM 292 C VAL A 21 -8.041 -3.765 2.244 1.00 32.11 C ATOM 293 O VAL A 21 -7.331 -4.750 2.057 1.00 30.43 O ATOM 294 CB VAL A 21 -6.600 -1.819 2.850 1.00 21.11 C ATOM 295 CG1 VAL A 21 -5.432 -2.773 3.069 1.00 12.14 C ATOM 296 CG2 VAL A 21 -6.102 -0.452 2.414 1.00 4.12 C ATOM 0 H VAL A 21 -8.962 -0.936 2.481 1.00 13.15 H new ATOM 0 HA VAL A 21 -7.096 -2.442 0.848 1.00 74.31 H new ATOM 0 HB VAL A 21 -7.123 -1.714 3.800 1.00 21.11 H new ATOM 0 HG11 VAL A 21 -4.748 -2.348 3.804 1.00 12.14 H new ATOM 0 HG12 VAL A 21 -5.807 -3.730 3.433 1.00 12.14 H new ATOM 0 HG13 VAL A 21 -4.904 -2.925 2.127 1.00 12.14 H new ATOM 0 HG21 VAL A 21 -5.400 -0.068 3.154 1.00 4.12 H new ATOM 0 HG22 VAL A 21 -5.602 -0.538 1.449 1.00 4.12 H new ATOM 0 HG23 VAL A 21 -6.946 0.232 2.325 1.00 4.12 H new ATOM 306 N LEU A 22 -9.225 -3.826 2.817 1.00 62.02 N ATOM 307 CA LEU A 22 -9.781 -5.076 3.279 1.00 15.22 C ATOM 308 C LEU A 22 -10.741 -5.647 2.244 1.00 41.35 C ATOM 309 O LEU A 22 -11.606 -6.464 2.555 1.00 65.21 O ATOM 310 CB LEU A 22 -10.483 -4.830 4.606 1.00 73.24 C ATOM 311 CG LEU A 22 -10.578 -6.023 5.572 1.00 62.35 C ATOM 312 CD1 LEU A 22 -11.861 -5.943 6.383 1.00 60.20 C ATOM 313 CD2 LEU A 22 -10.498 -7.361 4.842 1.00 13.10 C ATOM 0 H LEU A 22 -9.824 -3.015 2.974 1.00 62.02 H new ATOM 0 HA LEU A 22 -8.987 -5.809 3.422 1.00 15.22 H new ATOM 0 HB2 LEU A 22 -9.966 -4.018 5.118 1.00 73.24 H new ATOM 0 HB3 LEU A 22 -11.494 -4.482 4.396 1.00 73.24 H new ATOM 0 HG LEU A 22 -9.722 -5.966 6.244 1.00 62.35 H new ATOM 0 HD11 LEU A 22 -11.915 -6.793 7.063 1.00 60.20 H new ATOM 0 HD12 LEU A 22 -11.871 -5.017 6.959 1.00 60.20 H new ATOM 0 HD13 LEU A 22 -12.718 -5.961 5.710 1.00 60.20 H new ATOM 0 HD21 LEU A 22 -10.569 -8.174 5.564 1.00 13.10 H new ATOM 0 HD22 LEU A 22 -11.319 -7.436 4.129 1.00 13.10 H new ATOM 0 HD23 LEU A 22 -9.549 -7.430 4.311 1.00 13.10 H new ATOM 325 N ASP A 23 -10.574 -5.207 1.004 1.00 73.33 N ATOM 326 CA ASP A 23 -11.414 -5.671 -0.091 1.00 10.24 C ATOM 327 C ASP A 23 -10.885 -6.990 -0.649 1.00 65.21 C ATOM 328 O ASP A 23 -9.675 -7.177 -0.778 1.00 42.23 O ATOM 329 CB ASP A 23 -11.477 -4.619 -1.200 1.00 34.23 C ATOM 330 CG ASP A 23 -12.860 -4.503 -1.808 1.00 41.32 C ATOM 331 OD1 ASP A 23 -13.656 -5.455 -1.660 1.00 23.33 O ATOM 332 OD2 ASP A 23 -13.148 -3.461 -2.433 1.00 43.53 O ATOM 0 H ASP A 23 -9.863 -4.528 0.731 1.00 73.33 H new ATOM 0 HA ASP A 23 -12.420 -5.833 0.295 1.00 10.24 H new ATOM 0 HB2 ASP A 23 -11.178 -3.651 -0.797 1.00 34.23 H new ATOM 0 HB3 ASP A 23 -10.760 -4.874 -1.980 1.00 34.23 H new ATOM 337 N ASP A 24 -11.794 -7.906 -0.971 1.00 43.30 N ATOM 338 CA ASP A 24 -11.406 -9.208 -1.506 1.00 4.41 C ATOM 339 C ASP A 24 -11.546 -9.252 -3.026 1.00 13.13 C ATOM 340 O ASP A 24 -11.690 -10.324 -3.613 1.00 73.32 O ATOM 341 CB ASP A 24 -12.248 -10.315 -0.872 1.00 72.31 C ATOM 342 CG ASP A 24 -13.721 -10.190 -1.211 1.00 44.42 C ATOM 343 OD1 ASP A 24 -14.091 -10.476 -2.370 1.00 54.41 O ATOM 344 OD2 ASP A 24 -14.505 -9.806 -0.318 1.00 4.20 O ATOM 0 H ASP A 24 -12.800 -7.772 -0.871 1.00 43.30 H new ATOM 0 HA ASP A 24 -10.357 -9.368 -1.259 1.00 4.41 H new ATOM 0 HB2 ASP A 24 -11.882 -11.284 -1.210 1.00 72.31 H new ATOM 0 HB3 ASP A 24 -12.124 -10.287 0.211 1.00 72.31 H new ATOM 349 N THR A 25 -11.499 -8.085 -3.660 1.00 53.34 N ATOM 350 CA THR A 25 -11.616 -7.998 -5.111 1.00 13.33 C ATOM 351 C THR A 25 -10.249 -7.793 -5.760 1.00 21.11 C ATOM 352 O THR A 25 -10.069 -8.057 -6.949 1.00 50.55 O ATOM 353 CB THR A 25 -12.554 -6.854 -5.500 1.00 15.52 C ATOM 354 OG1 THR A 25 -12.572 -6.675 -6.904 1.00 52.32 O ATOM 355 CG2 THR A 25 -12.173 -5.531 -4.873 1.00 12.41 C ATOM 0 H THR A 25 -11.381 -7.187 -3.192 1.00 53.34 H new ATOM 0 HA THR A 25 -12.030 -8.939 -5.472 1.00 13.33 H new ATOM 0 HB THR A 25 -13.536 -7.146 -5.128 1.00 15.52 H new ATOM 0 HG1 THR A 25 -13.179 -5.940 -7.132 1.00 52.32 H new ATOM 0 HG21 THR A 25 -12.878 -4.762 -5.189 1.00 12.41 H new ATOM 0 HG22 THR A 25 -12.198 -5.622 -3.787 1.00 12.41 H new ATOM 0 HG23 THR A 25 -11.168 -5.254 -5.190 1.00 12.41 H new ATOM 363 N LYS A 26 -9.290 -7.317 -4.971 1.00 64.34 N ATOM 364 CA LYS A 26 -7.939 -7.071 -5.463 1.00 52.34 C ATOM 365 C LYS A 26 -6.951 -7.003 -4.304 1.00 41.14 C ATOM 366 O LYS A 26 -7.343 -6.788 -3.157 1.00 70.12 O ATOM 367 CB LYS A 26 -7.896 -5.764 -6.261 1.00 43.41 C ATOM 368 CG LYS A 26 -8.837 -4.693 -5.730 1.00 45.11 C ATOM 369 CD LYS A 26 -8.369 -3.298 -6.110 1.00 24.03 C ATOM 370 CE LYS A 26 -9.434 -2.254 -5.814 1.00 22.42 C ATOM 371 NZ LYS A 26 -9.438 -1.856 -4.379 1.00 4.32 N ATOM 0 H LYS A 26 -9.425 -7.093 -3.985 1.00 64.34 H new ATOM 0 HA LYS A 26 -7.656 -7.897 -6.116 1.00 52.34 H new ATOM 0 HB2 LYS A 26 -6.877 -5.377 -6.253 1.00 43.41 H new ATOM 0 HB3 LYS A 26 -8.149 -5.974 -7.300 1.00 43.41 H new ATOM 0 HG2 LYS A 26 -9.839 -4.861 -6.124 1.00 45.11 H new ATOM 0 HG3 LYS A 26 -8.904 -4.772 -4.645 1.00 45.11 H new ATOM 0 HD2 LYS A 26 -7.459 -3.056 -5.562 1.00 24.03 H new ATOM 0 HD3 LYS A 26 -8.118 -3.273 -7.170 1.00 24.03 H new ATOM 0 HE2 LYS A 26 -9.262 -1.374 -6.434 1.00 22.42 H new ATOM 0 HE3 LYS A 26 -10.414 -2.648 -6.084 1.00 22.42 H new ATOM 0 HZ1 LYS A 26 -10.178 -1.143 -4.219 1.00 4.32 H new ATOM 0 HZ2 LYS A 26 -9.627 -2.690 -3.788 1.00 4.32 H new ATOM 0 HZ3 LYS A 26 -8.512 -1.456 -4.127 1.00 4.32 H new ATOM 385 N ASP A 27 -5.667 -7.174 -4.605 1.00 24.42 N ATOM 386 CA ASP A 27 -4.636 -7.116 -3.582 1.00 22.11 C ATOM 387 C ASP A 27 -4.356 -5.666 -3.218 1.00 12.42 C ATOM 388 O ASP A 27 -4.081 -4.841 -4.089 1.00 4.03 O ATOM 389 CB ASP A 27 -3.359 -7.801 -4.072 1.00 1.12 C ATOM 390 CG ASP A 27 -3.481 -9.311 -4.080 1.00 23.20 C ATOM 391 OD1 ASP A 27 -4.358 -9.831 -4.799 1.00 61.20 O ATOM 392 OD2 ASP A 27 -2.700 -9.974 -3.367 1.00 44.20 O ATOM 0 H ASP A 27 -5.320 -7.353 -5.547 1.00 24.42 H new ATOM 0 HA ASP A 27 -4.986 -7.643 -2.694 1.00 22.11 H new ATOM 0 HB2 ASP A 27 -3.126 -7.453 -5.078 1.00 1.12 H new ATOM 0 HB3 ASP A 27 -2.525 -7.510 -3.433 1.00 1.12 H new ATOM 397 N VAL A 28 -4.453 -5.349 -1.935 1.00 13.21 N ATOM 398 CA VAL A 28 -4.231 -3.983 -1.479 1.00 73.13 C ATOM 399 C VAL A 28 -3.056 -3.884 -0.512 1.00 22.42 C ATOM 400 O VAL A 28 -3.059 -4.495 0.557 1.00 22.43 O ATOM 401 CB VAL A 28 -5.490 -3.408 -0.800 1.00 31.52 C ATOM 402 CG1 VAL A 28 -5.413 -1.892 -0.729 1.00 22.12 C ATOM 403 CG2 VAL A 28 -6.747 -3.846 -1.538 1.00 74.34 C ATOM 0 H VAL A 28 -4.682 -6.013 -1.195 1.00 13.21 H new ATOM 0 HA VAL A 28 -3.999 -3.399 -2.370 1.00 73.13 H new ATOM 0 HB VAL A 28 -5.538 -3.798 0.217 1.00 31.52 H new ATOM 0 HG11 VAL A 28 -6.310 -1.504 -0.247 1.00 22.12 H new ATOM 0 HG12 VAL A 28 -4.536 -1.599 -0.152 1.00 22.12 H new ATOM 0 HG13 VAL A 28 -5.338 -1.484 -1.737 1.00 22.12 H new ATOM 0 HG21 VAL A 28 -7.624 -3.429 -1.042 1.00 74.34 H new ATOM 0 HG22 VAL A 28 -6.708 -3.489 -2.567 1.00 74.34 H new ATOM 0 HG23 VAL A 28 -6.811 -4.934 -1.534 1.00 74.34 H new ATOM 413 N LEU A 29 -2.059 -3.094 -0.897 1.00 22.35 N ATOM 414 CA LEU A 29 -0.870 -2.883 -0.076 1.00 32.45 C ATOM 415 C LEU A 29 -1.030 -1.634 0.765 1.00 41.43 C ATOM 416 O LEU A 29 -0.918 -0.527 0.250 1.00 13.44 O ATOM 417 CB LEU A 29 0.358 -2.721 -0.968 1.00 2.32 C ATOM 418 CG LEU A 29 1.708 -2.938 -0.275 1.00 24.12 C ATOM 419 CD1 LEU A 29 1.839 -4.367 0.228 1.00 50.44 C ATOM 420 CD2 LEU A 29 2.849 -2.600 -1.222 1.00 4.34 C ATOM 0 H LEU A 29 -2.051 -2.585 -1.781 1.00 22.35 H new ATOM 0 HA LEU A 29 -0.743 -3.748 0.575 1.00 32.45 H new ATOM 0 HB2 LEU A 29 0.278 -3.423 -1.798 1.00 2.32 H new ATOM 0 HB3 LEU A 29 0.345 -1.719 -1.396 1.00 2.32 H new ATOM 0 HG LEU A 29 1.759 -2.271 0.586 1.00 24.12 H new ATOM 0 HD11 LEU A 29 2.806 -4.494 0.715 1.00 50.44 H new ATOM 0 HD12 LEU A 29 1.042 -4.576 0.942 1.00 50.44 H new ATOM 0 HD13 LEU A 29 1.763 -5.057 -0.612 1.00 50.44 H new ATOM 0 HD21 LEU A 29 3.801 -2.759 -0.716 1.00 4.34 H new ATOM 0 HD22 LEU A 29 2.794 -3.242 -2.101 1.00 4.34 H new ATOM 0 HD23 LEU A 29 2.771 -1.557 -1.528 1.00 4.34 H new ATOM 432 N ILE A 30 -1.287 -1.800 2.055 1.00 72.20 N ATOM 433 CA ILE A 30 -1.452 -0.642 2.925 1.00 41.13 C ATOM 434 C ILE A 30 -0.162 -0.323 3.673 1.00 41.14 C ATOM 435 O ILE A 30 0.423 -1.189 4.322 1.00 2.42 O ATOM 436 CB ILE A 30 -2.617 -0.828 3.920 1.00 12.14 C ATOM 437 CG1 ILE A 30 -3.331 0.516 4.137 1.00 44.24 C ATOM 438 CG2 ILE A 30 -2.124 -1.422 5.237 1.00 55.33 C ATOM 439 CD1 ILE A 30 -4.037 0.635 5.464 1.00 63.54 C ATOM 0 H ILE A 30 -1.384 -2.705 2.516 1.00 72.20 H new ATOM 0 HA ILE A 30 -1.696 0.202 2.281 1.00 41.13 H new ATOM 0 HB ILE A 30 -3.333 -1.535 3.501 1.00 12.14 H new ATOM 0 HG12 ILE A 30 -2.600 1.320 4.054 1.00 44.24 H new ATOM 0 HG13 ILE A 30 -4.057 0.662 3.338 1.00 44.24 H new ATOM 0 HG21 ILE A 30 -2.965 -1.542 5.919 1.00 55.33 H new ATOM 0 HG22 ILE A 30 -1.667 -2.394 5.049 1.00 55.33 H new ATOM 0 HG23 ILE A 30 -1.387 -0.755 5.684 1.00 55.33 H new ATOM 0 HD11 ILE A 30 -4.514 1.612 5.536 1.00 63.54 H new ATOM 0 HD12 ILE A 30 -4.794 -0.145 5.545 1.00 63.54 H new ATOM 0 HD13 ILE A 30 -3.314 0.524 6.272 1.00 63.54 H new ATOM 451 N GLU A 31 0.278 0.925 3.567 1.00 61.25 N ATOM 452 CA GLU A 31 1.504 1.360 4.225 1.00 30.23 C ATOM 453 C GLU A 31 1.221 2.402 5.304 1.00 70.24 C ATOM 454 O GLU A 31 1.238 3.604 5.038 1.00 52.11 O ATOM 455 CB GLU A 31 2.485 1.927 3.194 1.00 53.44 C ATOM 456 CG GLU A 31 3.710 2.594 3.804 1.00 31.40 C ATOM 457 CD GLU A 31 4.583 3.269 2.765 1.00 14.42 C ATOM 458 OE1 GLU A 31 4.846 2.646 1.715 1.00 41.43 O ATOM 459 OE2 GLU A 31 5.004 4.421 3.002 1.00 42.43 O ATOM 0 H GLU A 31 -0.195 1.653 3.032 1.00 61.25 H new ATOM 0 HA GLU A 31 1.949 0.490 4.707 1.00 30.23 H new ATOM 0 HB2 GLU A 31 2.812 1.121 2.538 1.00 53.44 H new ATOM 0 HB3 GLU A 31 1.962 2.652 2.571 1.00 53.44 H new ATOM 0 HG2 GLU A 31 3.389 3.332 4.539 1.00 31.40 H new ATOM 0 HG3 GLU A 31 4.298 1.847 4.338 1.00 31.40 H new ATOM 466 N PHE A 32 0.991 1.936 6.527 1.00 61.02 N ATOM 467 CA PHE A 32 0.742 2.831 7.650 1.00 65.22 C ATOM 468 C PHE A 32 1.943 3.742 7.843 1.00 74.45 C ATOM 469 O PHE A 32 3.079 3.266 7.879 1.00 1.24 O ATOM 470 CB PHE A 32 0.493 2.034 8.929 1.00 73.53 C ATOM 471 CG PHE A 32 -0.710 1.137 8.857 1.00 44.52 C ATOM 472 CD1 PHE A 32 -0.621 -0.119 8.278 1.00 34.11 C ATOM 473 CD2 PHE A 32 -1.929 1.552 9.367 1.00 75.21 C ATOM 474 CE1 PHE A 32 -1.727 -0.945 8.210 1.00 23.20 C ATOM 475 CE2 PHE A 32 -3.038 0.730 9.302 1.00 33.35 C ATOM 476 CZ PHE A 32 -2.937 -0.520 8.723 1.00 52.32 C ATOM 0 H PHE A 32 0.972 0.944 6.765 1.00 61.02 H new ATOM 0 HA PHE A 32 -0.145 3.427 7.435 1.00 65.22 H new ATOM 0 HB2 PHE A 32 1.373 1.429 9.147 1.00 73.53 H new ATOM 0 HB3 PHE A 32 0.369 2.728 9.760 1.00 73.53 H new ATOM 0 HD1 PHE A 32 0.323 -0.456 7.876 1.00 34.11 H new ATOM 0 HD2 PHE A 32 -2.014 2.529 9.820 1.00 75.21 H new ATOM 0 HE1 PHE A 32 -1.645 -1.922 7.756 1.00 23.20 H new ATOM 0 HE2 PHE A 32 -3.983 1.065 9.704 1.00 33.35 H new ATOM 0 HZ PHE A 32 -3.803 -1.164 8.671 1.00 52.32 H new ATOM 486 N TYR A 33 1.696 5.045 7.947 1.00 41.11 N ATOM 487 CA TYR A 33 2.777 6.010 8.112 1.00 65.10 C ATOM 488 C TYR A 33 2.337 7.229 8.918 1.00 0.14 C ATOM 489 O TYR A 33 1.303 7.217 9.586 1.00 21.44 O ATOM 490 CB TYR A 33 3.273 6.465 6.738 1.00 55.23 C ATOM 491 CG TYR A 33 2.274 7.326 5.995 1.00 21.32 C ATOM 492 CD1 TYR A 33 1.056 6.805 5.577 1.00 40.24 C ATOM 493 CD2 TYR A 33 2.544 8.662 5.723 1.00 44.32 C ATOM 494 CE1 TYR A 33 0.136 7.588 4.906 1.00 61.35 C ATOM 495 CE2 TYR A 33 1.629 9.453 5.054 1.00 24.31 C ATOM 496 CZ TYR A 33 0.427 8.911 4.648 1.00 73.12 C ATOM 497 OH TYR A 33 -0.486 9.695 3.982 1.00 23.25 O ATOM 0 H TYR A 33 0.762 5.454 7.920 1.00 41.11 H new ATOM 0 HA TYR A 33 3.579 5.516 8.661 1.00 65.10 H new ATOM 0 HB2 TYR A 33 4.202 7.022 6.861 1.00 55.23 H new ATOM 0 HB3 TYR A 33 3.505 5.588 6.135 1.00 55.23 H new ATOM 0 HD1 TYR A 33 0.824 5.770 5.780 1.00 40.24 H new ATOM 0 HD2 TYR A 33 3.484 9.089 6.040 1.00 44.32 H new ATOM 0 HE1 TYR A 33 -0.805 7.166 4.586 1.00 61.35 H new ATOM 0 HE2 TYR A 33 1.854 10.490 4.850 1.00 24.31 H new ATOM 0 HH TYR A 33 -0.127 10.601 3.882 1.00 23.25 H new ATOM 507 N ALA A 34 3.141 8.283 8.827 1.00 72.21 N ATOM 508 CA ALA A 34 2.875 9.535 9.514 1.00 21.32 C ATOM 509 C ALA A 34 3.314 10.703 8.636 1.00 43.41 C ATOM 510 O ALA A 34 3.930 10.501 7.591 1.00 1.30 O ATOM 511 CB ALA A 34 3.603 9.570 10.849 1.00 75.21 C ATOM 0 H ALA A 34 3.997 8.290 8.272 1.00 72.21 H new ATOM 0 HA ALA A 34 1.805 9.618 9.706 1.00 21.32 H new ATOM 0 HB1 ALA A 34 3.394 10.514 11.353 1.00 75.21 H new ATOM 0 HB2 ALA A 34 3.261 8.743 11.472 1.00 75.21 H new ATOM 0 HB3 ALA A 34 4.676 9.478 10.681 1.00 75.21 H new ATOM 517 N PRO A 35 3.030 11.941 9.052 1.00 54.30 N ATOM 518 CA PRO A 35 3.421 13.126 8.306 1.00 5.43 C ATOM 519 C PRO A 35 4.812 13.578 8.707 1.00 35.33 C ATOM 520 O PRO A 35 5.490 14.308 7.984 1.00 62.40 O ATOM 521 CB PRO A 35 2.377 14.141 8.745 1.00 42.25 C ATOM 522 CG PRO A 35 2.074 13.779 10.162 1.00 35.10 C ATOM 523 CD PRO A 35 2.332 12.295 10.298 1.00 41.21 C ATOM 0 HA PRO A 35 3.460 12.974 7.227 1.00 5.43 H new ATOM 0 HB2 PRO A 35 2.757 15.160 8.668 1.00 42.25 H new ATOM 0 HB3 PRO A 35 1.484 14.086 8.122 1.00 42.25 H new ATOM 0 HG2 PRO A 35 2.703 14.345 10.849 1.00 35.10 H new ATOM 0 HG3 PRO A 35 1.039 14.016 10.409 1.00 35.10 H new ATOM 0 HD2 PRO A 35 2.942 12.074 11.174 1.00 41.21 H new ATOM 0 HD3 PRO A 35 1.402 11.736 10.408 1.00 41.21 H new ATOM 531 N TRP A 36 5.221 13.117 9.879 1.00 31.21 N ATOM 532 CA TRP A 36 6.533 13.439 10.431 1.00 75.21 C ATOM 533 C TRP A 36 7.510 12.283 10.230 1.00 62.33 C ATOM 534 O TRP A 36 8.646 12.326 10.702 1.00 1.45 O ATOM 535 CB TRP A 36 6.402 13.743 11.919 1.00 52.43 C ATOM 536 CG TRP A 36 5.865 12.588 12.708 1.00 41.11 C ATOM 537 CD1 TRP A 36 4.556 12.337 13.000 1.00 21.41 C ATOM 538 CD2 TRP A 36 6.620 11.527 13.303 1.00 13.21 C ATOM 539 NE1 TRP A 36 4.449 11.179 13.731 1.00 33.33 N ATOM 540 CE2 TRP A 36 5.703 10.665 13.934 1.00 14.12 C ATOM 541 CE3 TRP A 36 7.983 11.221 13.361 1.00 31.24 C ATOM 542 CZ2 TRP A 36 6.106 9.519 14.614 1.00 12.14 C ATOM 543 CZ3 TRP A 36 8.381 10.083 14.037 1.00 62.31 C ATOM 544 CH2 TRP A 36 7.445 9.244 14.655 1.00 0.12 C ATOM 0 H TRP A 36 4.657 12.511 10.475 1.00 31.21 H new ATOM 0 HA TRP A 36 6.920 14.313 9.907 1.00 75.21 H new ATOM 0 HB2 TRP A 36 7.378 14.023 12.314 1.00 52.43 H new ATOM 0 HB3 TRP A 36 5.746 14.603 12.052 1.00 52.43 H new ATOM 0 HD1 TRP A 36 3.725 12.958 12.700 1.00 21.41 H new ATOM 0 HE1 TRP A 36 3.578 10.769 14.068 1.00 33.33 H new ATOM 0 HE3 TRP A 36 8.711 11.862 12.886 1.00 31.24 H new ATOM 0 HZ2 TRP A 36 5.387 8.870 15.092 1.00 12.14 H new ATOM 0 HZ3 TRP A 36 9.431 9.837 14.090 1.00 62.31 H new ATOM 0 HH2 TRP A 36 7.788 8.362 15.175 1.00 0.12 H new ATOM 555 N CYS A 37 7.052 11.250 9.536 1.00 12.21 N ATOM 556 CA CYS A 37 7.870 10.071 9.277 1.00 73.34 C ATOM 557 C CYS A 37 8.841 10.311 8.125 1.00 74.40 C ATOM 558 O CYS A 37 8.528 10.026 6.969 1.00 21.03 O ATOM 559 CB CYS A 37 6.978 8.871 8.959 1.00 61.20 C ATOM 560 SG CYS A 37 7.542 7.317 9.691 1.00 11.22 S ATOM 0 H CYS A 37 6.113 11.204 9.140 1.00 12.21 H new ATOM 0 HA CYS A 37 8.451 9.864 10.176 1.00 73.34 H new ATOM 0 HB2 CYS A 37 5.968 9.080 9.310 1.00 61.20 H new ATOM 0 HB3 CYS A 37 6.921 8.751 7.877 1.00 61.20 H new ATOM 0 HG CYS A 37 8.166 6.615 8.792 1.00 11.22 H new ATOM 566 N GLY A 38 10.021 10.827 8.450 1.00 73.01 N ATOM 567 CA GLY A 38 11.023 11.090 7.432 1.00 54.25 C ATOM 568 C GLY A 38 11.383 9.852 6.631 1.00 23.12 C ATOM 569 O GLY A 38 11.920 9.955 5.528 1.00 65.32 O ATOM 0 H GLY A 38 10.302 11.068 9.400 1.00 73.01 H new ATOM 0 HA2 GLY A 38 10.654 11.861 6.755 1.00 54.25 H new ATOM 0 HA3 GLY A 38 11.922 11.485 7.906 1.00 54.25 H new ATOM 573 N HIS A 39 11.093 8.679 7.187 1.00 2.33 N ATOM 574 CA HIS A 39 11.396 7.420 6.516 1.00 41.12 C ATOM 575 C HIS A 39 10.257 6.993 5.594 1.00 11.52 C ATOM 576 O HIS A 39 10.493 6.476 4.502 1.00 25.14 O ATOM 577 CB HIS A 39 11.667 6.325 7.549 1.00 52.33 C ATOM 578 CG HIS A 39 13.109 6.205 7.930 1.00 24.32 C ATOM 579 ND1 HIS A 39 13.599 6.599 9.158 1.00 54.12 N ATOM 580 CD2 HIS A 39 14.172 5.730 7.238 1.00 21.12 C ATOM 581 CE1 HIS A 39 14.900 6.374 9.203 1.00 22.32 C ATOM 582 NE2 HIS A 39 15.272 5.847 8.052 1.00 30.33 N ATOM 0 H HIS A 39 10.649 8.575 8.099 1.00 2.33 H new ATOM 0 HA HIS A 39 12.287 7.572 5.907 1.00 41.12 H new ATOM 0 HB2 HIS A 39 11.079 6.528 8.444 1.00 52.33 H new ATOM 0 HB3 HIS A 39 11.324 5.370 7.152 1.00 52.33 H new ATOM 0 HD2 HIS A 39 14.157 5.333 6.234 1.00 21.12 H new ATOM 0 HE1 HIS A 39 15.549 6.586 10.040 1.00 22.32 H new ATOM 0 HE2 HIS A 39 16.223 5.571 7.806 1.00 30.33 H new ATOM 591 N CYS A 40 9.021 7.204 6.039 1.00 60.23 N ATOM 592 CA CYS A 40 7.854 6.830 5.248 1.00 12.10 C ATOM 593 C CYS A 40 7.590 7.839 4.134 1.00 73.23 C ATOM 594 O CYS A 40 6.971 7.509 3.123 1.00 34.22 O ATOM 595 CB CYS A 40 6.621 6.690 6.145 1.00 63.34 C ATOM 596 SG CYS A 40 6.045 4.987 6.336 1.00 13.53 S ATOM 0 H CYS A 40 8.803 7.630 6.940 1.00 60.23 H new ATOM 0 HA CYS A 40 8.062 5.866 4.783 1.00 12.10 H new ATOM 0 HB2 CYS A 40 6.851 7.098 7.129 1.00 63.34 H new ATOM 0 HB3 CYS A 40 5.812 7.293 5.731 1.00 63.34 H new ATOM 0 HG CYS A 40 5.598 4.550 5.196 1.00 13.53 H new ATOM 602 N LYS A 41 8.068 9.064 4.314 1.00 21.23 N ATOM 603 CA LYS A 41 7.885 10.105 3.307 1.00 10.33 C ATOM 604 C LYS A 41 8.682 9.778 2.044 1.00 54.14 C ATOM 605 O LYS A 41 8.433 10.337 0.976 1.00 74.52 O ATOM 606 CB LYS A 41 8.301 11.465 3.868 1.00 51.31 C ATOM 607 CG LYS A 41 7.311 12.024 4.877 1.00 32.41 C ATOM 608 CD LYS A 41 8.015 12.767 5.999 1.00 32.30 C ATOM 609 CE LYS A 41 8.686 14.029 5.491 1.00 55.12 C ATOM 610 NZ LYS A 41 9.903 14.368 6.279 1.00 20.54 N ATOM 0 H LYS A 41 8.583 9.361 5.143 1.00 21.23 H new ATOM 0 HA LYS A 41 6.829 10.148 3.042 1.00 10.33 H new ATOM 0 HB2 LYS A 41 9.279 11.372 4.341 1.00 51.31 H new ATOM 0 HB3 LYS A 41 8.410 12.172 3.046 1.00 51.31 H new ATOM 0 HG2 LYS A 41 6.618 12.697 4.373 1.00 32.41 H new ATOM 0 HG3 LYS A 41 6.718 11.210 5.295 1.00 32.41 H new ATOM 0 HD2 LYS A 41 7.295 13.024 6.776 1.00 32.30 H new ATOM 0 HD3 LYS A 41 8.760 12.116 6.457 1.00 32.30 H new ATOM 0 HE2 LYS A 41 8.957 13.899 4.443 1.00 55.12 H new ATOM 0 HE3 LYS A 41 7.981 14.859 5.538 1.00 55.12 H new ATOM 0 HZ1 LYS A 41 10.087 15.389 6.211 1.00 20.54 H new ATOM 0 HZ2 LYS A 41 9.755 14.108 7.275 1.00 20.54 H new ATOM 0 HZ3 LYS A 41 10.718 13.844 5.902 1.00 20.54 H new ATOM 624 N ALA A 42 9.623 8.848 2.177 1.00 53.53 N ATOM 625 CA ALA A 42 10.448 8.406 1.058 1.00 63.24 C ATOM 626 C ALA A 42 9.797 7.210 0.373 1.00 22.20 C ATOM 627 O ALA A 42 10.176 6.816 -0.729 1.00 35.20 O ATOM 628 CB ALA A 42 11.824 8.022 1.559 1.00 71.23 C ATOM 0 H ALA A 42 9.834 8.382 3.059 1.00 53.53 H new ATOM 0 HA ALA A 42 10.541 9.220 0.340 1.00 63.24 H new ATOM 0 HB1 ALA A 42 12.438 7.692 0.721 1.00 71.23 H new ATOM 0 HB2 ALA A 42 12.292 8.884 2.034 1.00 71.23 H new ATOM 0 HB3 ALA A 42 11.735 7.213 2.284 1.00 71.23 H new ATOM 634 N LEU A 43 8.818 6.643 1.063 1.00 3.15 N ATOM 635 CA LEU A 43 8.071 5.485 0.588 1.00 50.12 C ATOM 636 C LEU A 43 6.888 5.902 -0.288 1.00 0.15 C ATOM 637 O LEU A 43 6.211 5.066 -0.882 1.00 25.30 O ATOM 638 CB LEU A 43 7.543 4.716 1.790 1.00 20.44 C ATOM 639 CG LEU A 43 8.504 3.692 2.390 1.00 62.22 C ATOM 640 CD1 LEU A 43 8.182 3.457 3.858 1.00 75.32 C ATOM 641 CD2 LEU A 43 8.446 2.390 1.612 1.00 41.04 C ATOM 0 H LEU A 43 8.516 6.977 1.978 1.00 3.15 H new ATOM 0 HA LEU A 43 8.740 4.867 -0.010 1.00 50.12 H new ATOM 0 HB2 LEU A 43 7.271 5.431 2.566 1.00 20.44 H new ATOM 0 HB3 LEU A 43 6.628 4.201 1.497 1.00 20.44 H new ATOM 0 HG LEU A 43 9.518 4.086 2.321 1.00 62.22 H new ATOM 0 HD11 LEU A 43 8.876 2.725 4.270 1.00 75.32 H new ATOM 0 HD12 LEU A 43 8.276 4.395 4.406 1.00 75.32 H new ATOM 0 HD13 LEU A 43 7.162 3.083 3.952 1.00 75.32 H new ATOM 0 HD21 LEU A 43 9.137 1.672 2.053 1.00 41.04 H new ATOM 0 HD22 LEU A 43 7.433 1.989 1.649 1.00 41.04 H new ATOM 0 HD23 LEU A 43 8.726 2.573 0.575 1.00 41.04 H new ATOM 653 N ALA A 44 6.633 7.197 -0.324 1.00 71.13 N ATOM 654 CA ALA A 44 5.522 7.766 -1.084 1.00 14.25 C ATOM 655 C ALA A 44 5.800 7.858 -2.586 1.00 34.31 C ATOM 656 O ALA A 44 4.915 7.597 -3.395 1.00 74.45 O ATOM 657 CB ALA A 44 5.211 9.147 -0.556 1.00 30.41 C ATOM 0 H ALA A 44 7.190 7.892 0.174 1.00 71.13 H new ATOM 0 HA ALA A 44 4.675 7.093 -0.955 1.00 14.25 H new ATOM 0 HB1 ALA A 44 4.383 9.574 -1.121 1.00 30.41 H new ATOM 0 HB2 ALA A 44 4.936 9.081 0.497 1.00 30.41 H new ATOM 0 HB3 ALA A 44 6.089 9.784 -0.662 1.00 30.41 H new ATOM 663 N PRO A 45 7.024 8.239 -2.984 1.00 75.14 N ATOM 664 CA PRO A 45 7.381 8.364 -4.400 1.00 70.44 C ATOM 665 C PRO A 45 7.195 7.051 -5.132 1.00 62.41 C ATOM 666 O PRO A 45 6.777 7.008 -6.289 1.00 14.35 O ATOM 667 CB PRO A 45 8.862 8.738 -4.389 1.00 11.31 C ATOM 668 CG PRO A 45 9.178 9.164 -2.995 1.00 74.31 C ATOM 669 CD PRO A 45 8.141 8.563 -2.091 1.00 42.31 C ATOM 0 HA PRO A 45 6.755 9.098 -4.908 1.00 70.44 H new ATOM 0 HB2 PRO A 45 9.479 7.890 -4.685 1.00 11.31 H new ATOM 0 HB3 PRO A 45 9.065 9.542 -5.096 1.00 11.31 H new ATOM 0 HG2 PRO A 45 10.175 8.830 -2.709 1.00 74.31 H new ATOM 0 HG3 PRO A 45 9.171 10.251 -2.916 1.00 74.31 H new ATOM 0 HD2 PRO A 45 8.519 7.673 -1.589 1.00 42.31 H new ATOM 0 HD3 PRO A 45 7.838 9.264 -1.313 1.00 42.31 H new ATOM 677 N LYS A 46 7.498 5.985 -4.420 1.00 20.24 N ATOM 678 CA LYS A 46 7.364 4.629 -4.948 1.00 25.04 C ATOM 679 C LYS A 46 5.920 4.197 -4.885 1.00 42.02 C ATOM 680 O LYS A 46 5.470 3.352 -5.652 1.00 64.24 O ATOM 681 CB LYS A 46 8.169 3.664 -4.093 1.00 30.13 C ATOM 682 CG LYS A 46 7.592 3.566 -2.691 1.00 4.35 C ATOM 683 CD LYS A 46 8.426 2.721 -1.752 1.00 52.40 C ATOM 684 CE LYS A 46 9.917 2.997 -1.891 1.00 65.44 C ATOM 685 NZ LYS A 46 10.243 4.437 -1.701 1.00 23.32 N ATOM 0 H LYS A 46 7.844 6.026 -3.461 1.00 20.24 H new ATOM 0 HA LYS A 46 7.722 4.622 -5.977 1.00 25.04 H new ATOM 0 HB2 LYS A 46 8.174 2.678 -4.558 1.00 30.13 H new ATOM 0 HB3 LYS A 46 9.206 3.997 -4.041 1.00 30.13 H new ATOM 0 HG2 LYS A 46 7.496 4.569 -2.276 1.00 4.35 H new ATOM 0 HG3 LYS A 46 6.587 3.147 -2.749 1.00 4.35 H new ATOM 0 HD2 LYS A 46 8.118 2.913 -0.724 1.00 52.40 H new ATOM 0 HD3 LYS A 46 8.235 1.666 -1.950 1.00 52.40 H new ATOM 0 HE2 LYS A 46 10.464 2.403 -1.159 1.00 65.44 H new ATOM 0 HE3 LYS A 46 10.253 2.677 -2.877 1.00 65.44 H new ATOM 0 HZ1 LYS A 46 10.920 4.739 -2.431 1.00 23.32 H new ATOM 0 HZ2 LYS A 46 9.374 5.003 -1.779 1.00 23.32 H new ATOM 0 HZ3 LYS A 46 10.663 4.577 -0.760 1.00 23.32 H new ATOM 699 N TYR A 47 5.213 4.767 -3.931 1.00 61.23 N ATOM 700 CA TYR A 47 3.834 4.432 -3.717 1.00 23.14 C ATOM 701 C TYR A 47 2.948 5.141 -4.721 1.00 2.14 C ATOM 702 O TYR A 47 1.920 4.620 -5.133 1.00 1.03 O ATOM 703 CB TYR A 47 3.449 4.789 -2.286 1.00 43.44 C ATOM 704 CG TYR A 47 3.072 3.589 -1.462 1.00 40.11 C ATOM 705 CD1 TYR A 47 3.824 2.425 -1.523 1.00 74.31 C ATOM 706 CD2 TYR A 47 1.963 3.615 -0.633 1.00 32.01 C ATOM 707 CE1 TYR A 47 3.479 1.316 -0.778 1.00 13.43 C ATOM 708 CE2 TYR A 47 1.608 2.513 0.113 1.00 25.32 C ATOM 709 CZ TYR A 47 2.368 1.363 0.039 1.00 43.13 C ATOM 710 OH TYR A 47 2.012 0.258 0.778 1.00 24.45 O ATOM 0 H TYR A 47 5.581 5.470 -3.290 1.00 61.23 H new ATOM 0 HA TYR A 47 3.693 3.361 -3.862 1.00 23.14 H new ATOM 0 HB2 TYR A 47 4.283 5.303 -1.809 1.00 43.44 H new ATOM 0 HB3 TYR A 47 2.613 5.488 -2.304 1.00 43.44 H new ATOM 0 HD1 TYR A 47 4.693 2.386 -2.163 1.00 74.31 H new ATOM 0 HD2 TYR A 47 1.367 4.514 -0.570 1.00 32.01 H new ATOM 0 HE1 TYR A 47 4.075 0.417 -0.834 1.00 13.43 H new ATOM 0 HE2 TYR A 47 0.739 2.548 0.753 1.00 25.32 H new ATOM 0 HH TYR A 47 1.077 0.029 0.594 1.00 24.45 H new ATOM 720 N GLU A 48 3.358 6.333 -5.111 1.00 24.14 N ATOM 721 CA GLU A 48 2.608 7.118 -6.064 1.00 22.24 C ATOM 722 C GLU A 48 3.050 6.826 -7.493 1.00 54.31 C ATOM 723 O GLU A 48 2.256 6.913 -8.425 1.00 22.41 O ATOM 724 CB GLU A 48 2.788 8.588 -5.742 1.00 13.13 C ATOM 725 CG GLU A 48 4.230 9.046 -5.818 1.00 10.32 C ATOM 726 CD GLU A 48 4.469 10.058 -6.923 1.00 51.13 C ATOM 727 OE1 GLU A 48 3.513 10.772 -7.291 1.00 72.33 O ATOM 728 OE2 GLU A 48 5.613 10.135 -7.419 1.00 52.11 O ATOM 0 H GLU A 48 4.213 6.779 -4.778 1.00 24.14 H new ATOM 0 HA GLU A 48 1.554 6.851 -5.990 1.00 22.24 H new ATOM 0 HB2 GLU A 48 2.189 9.180 -6.434 1.00 13.13 H new ATOM 0 HB3 GLU A 48 2.404 8.783 -4.741 1.00 13.13 H new ATOM 0 HG2 GLU A 48 4.518 9.484 -4.862 1.00 10.32 H new ATOM 0 HG3 GLU A 48 4.873 8.181 -5.979 1.00 10.32 H new ATOM 735 N GLU A 49 4.315 6.457 -7.657 1.00 54.44 N ATOM 736 CA GLU A 49 4.846 6.127 -8.970 1.00 42.11 C ATOM 737 C GLU A 49 4.404 4.723 -9.335 1.00 51.34 C ATOM 738 O GLU A 49 3.971 4.459 -10.455 1.00 33.31 O ATOM 739 CB GLU A 49 6.373 6.222 -8.976 1.00 61.51 C ATOM 740 CG GLU A 49 6.895 7.649 -8.953 1.00 11.24 C ATOM 741 CD GLU A 49 7.381 8.114 -10.312 1.00 61.31 C ATOM 742 OE1 GLU A 49 6.544 8.581 -11.114 1.00 22.31 O ATOM 743 OE2 GLU A 49 8.597 8.011 -10.575 1.00 30.35 O ATOM 0 H GLU A 49 4.990 6.379 -6.896 1.00 54.44 H new ATOM 0 HA GLU A 49 4.465 6.837 -9.704 1.00 42.11 H new ATOM 0 HB2 GLU A 49 6.765 5.687 -8.111 1.00 61.51 H new ATOM 0 HB3 GLU A 49 6.756 5.718 -9.863 1.00 61.51 H new ATOM 0 HG2 GLU A 49 6.105 8.315 -8.606 1.00 11.24 H new ATOM 0 HG3 GLU A 49 7.712 7.722 -8.235 1.00 11.24 H new ATOM 750 N LEU A 50 4.477 3.837 -8.351 1.00 55.33 N ATOM 751 CA LEU A 50 4.052 2.464 -8.519 1.00 62.33 C ATOM 752 C LEU A 50 2.553 2.410 -8.367 1.00 53.01 C ATOM 753 O LEU A 50 1.846 1.747 -9.125 1.00 72.22 O ATOM 754 CB LEU A 50 4.704 1.597 -7.457 1.00 53.34 C ATOM 755 CG LEU A 50 4.674 0.093 -7.736 1.00 31.31 C ATOM 756 CD1 LEU A 50 5.814 -0.311 -8.657 1.00 73.44 C ATOM 757 CD2 LEU A 50 4.731 -0.686 -6.432 1.00 32.53 C ATOM 0 H LEU A 50 4.832 4.054 -7.420 1.00 55.33 H new ATOM 0 HA LEU A 50 4.343 2.097 -9.503 1.00 62.33 H new ATOM 0 HB2 LEU A 50 5.742 1.909 -7.343 1.00 53.34 H new ATOM 0 HB3 LEU A 50 4.209 1.784 -6.504 1.00 53.34 H new ATOM 0 HG LEU A 50 3.737 -0.145 -8.240 1.00 31.31 H new ATOM 0 HD11 LEU A 50 5.771 -1.385 -8.840 1.00 73.44 H new ATOM 0 HD12 LEU A 50 5.724 0.222 -9.603 1.00 73.44 H new ATOM 0 HD13 LEU A 50 6.766 -0.061 -8.189 1.00 73.44 H new ATOM 0 HD21 LEU A 50 4.709 -1.755 -6.645 1.00 32.53 H new ATOM 0 HD22 LEU A 50 5.651 -0.441 -5.902 1.00 32.53 H new ATOM 0 HD23 LEU A 50 3.874 -0.422 -5.813 1.00 32.53 H new ATOM 769 N GLY A 51 2.084 3.148 -7.374 1.00 23.21 N ATOM 770 CA GLY A 51 0.663 3.226 -7.110 1.00 32.42 C ATOM 771 C GLY A 51 -0.087 3.673 -8.327 1.00 21.41 C ATOM 772 O GLY A 51 -1.116 3.110 -8.688 1.00 20.22 O ATOM 0 H GLY A 51 2.666 3.698 -6.742 1.00 23.21 H new ATOM 0 HA2 GLY A 51 0.295 2.251 -6.790 1.00 32.42 H new ATOM 0 HA3 GLY A 51 0.480 3.921 -6.290 1.00 32.42 H new ATOM 776 N ALA A 52 0.466 4.679 -8.969 1.00 74.32 N ATOM 777 CA ALA A 52 -0.098 5.221 -10.180 1.00 34.41 C ATOM 778 C ALA A 52 -0.064 4.159 -11.262 1.00 53.51 C ATOM 779 O ALA A 52 -1.071 3.872 -11.911 1.00 24.53 O ATOM 780 CB ALA A 52 0.694 6.446 -10.589 1.00 21.31 C ATOM 0 H ALA A 52 1.321 5.143 -8.663 1.00 74.32 H new ATOM 0 HA ALA A 52 -1.135 5.517 -10.021 1.00 34.41 H new ATOM 0 HB1 ALA A 52 0.274 6.862 -11.505 1.00 21.31 H new ATOM 0 HB2 ALA A 52 0.646 7.192 -9.796 1.00 21.31 H new ATOM 0 HB3 ALA A 52 1.733 6.166 -10.761 1.00 21.31 H new ATOM 786 N LEU A 53 1.102 3.549 -11.428 1.00 5.04 N ATOM 787 CA LEU A 53 1.258 2.491 -12.413 1.00 63.21 C ATOM 788 C LEU A 53 0.282 1.357 -12.123 1.00 15.14 C ATOM 789 O LEU A 53 -0.254 0.738 -13.040 1.00 42.51 O ATOM 790 CB LEU A 53 2.694 1.967 -12.414 1.00 31.14 C ATOM 791 CG LEU A 53 3.745 2.977 -12.871 1.00 72.33 C ATOM 792 CD1 LEU A 53 5.128 2.561 -12.396 1.00 21.32 C ATOM 793 CD2 LEU A 53 3.719 3.121 -14.385 1.00 32.33 C ATOM 0 H LEU A 53 1.946 3.767 -10.898 1.00 5.04 H new ATOM 0 HA LEU A 53 1.040 2.900 -13.400 1.00 63.21 H new ATOM 0 HB2 LEU A 53 2.945 1.634 -11.407 1.00 31.14 H new ATOM 0 HB3 LEU A 53 2.746 1.092 -13.062 1.00 31.14 H new ATOM 0 HG LEU A 53 3.509 3.945 -12.429 1.00 72.33 H new ATOM 0 HD11 LEU A 53 5.863 3.293 -12.731 1.00 21.32 H new ATOM 0 HD12 LEU A 53 5.138 2.509 -11.307 1.00 21.32 H new ATOM 0 HD13 LEU A 53 5.375 1.583 -12.808 1.00 21.32 H new ATOM 0 HD21 LEU A 53 4.474 3.844 -14.695 1.00 32.33 H new ATOM 0 HD22 LEU A 53 3.930 2.156 -14.846 1.00 32.33 H new ATOM 0 HD23 LEU A 53 2.734 3.466 -14.701 1.00 32.33 H new ATOM 805 N TYR A 54 0.049 1.093 -10.839 1.00 1.54 N ATOM 806 CA TYR A 54 -0.869 0.037 -10.436 1.00 34.11 C ATOM 807 C TYR A 54 -2.321 0.492 -10.547 1.00 70.15 C ATOM 808 O TYR A 54 -3.221 -0.331 -10.702 1.00 54.54 O ATOM 809 CB TYR A 54 -0.577 -0.404 -9.004 1.00 11.35 C ATOM 810 CG TYR A 54 0.388 -1.561 -8.921 1.00 31.32 C ATOM 811 CD1 TYR A 54 0.073 -2.796 -9.471 1.00 14.11 C ATOM 812 CD2 TYR A 54 1.617 -1.415 -8.296 1.00 13.35 C ATOM 813 CE1 TYR A 54 0.958 -3.854 -9.400 1.00 11.43 C ATOM 814 CE2 TYR A 54 2.507 -2.467 -8.221 1.00 12.41 C ATOM 815 CZ TYR A 54 2.174 -3.685 -8.774 1.00 43.43 C ATOM 816 OH TYR A 54 3.059 -4.735 -8.701 1.00 74.34 O ATOM 0 H TYR A 54 0.483 1.595 -10.064 1.00 1.54 H new ATOM 0 HA TYR A 54 -0.720 -0.806 -11.111 1.00 34.11 H new ATOM 0 HB2 TYR A 54 -0.170 0.440 -8.447 1.00 11.35 H new ATOM 0 HB3 TYR A 54 -1.512 -0.684 -8.520 1.00 11.35 H new ATOM 0 HD1 TYR A 54 -0.879 -2.932 -9.962 1.00 14.11 H new ATOM 0 HD2 TYR A 54 1.882 -0.463 -7.861 1.00 13.35 H new ATOM 0 HE1 TYR A 54 0.698 -4.809 -9.833 1.00 11.43 H new ATOM 0 HE2 TYR A 54 3.461 -2.337 -7.731 1.00 12.41 H new ATOM 0 HH TYR A 54 2.572 -5.580 -8.793 1.00 74.34 H new ATOM 826 N ALA A 55 -2.544 1.801 -10.448 1.00 21.21 N ATOM 827 CA ALA A 55 -3.895 2.357 -10.522 1.00 3.44 C ATOM 828 C ALA A 55 -4.158 3.071 -11.852 1.00 5.13 C ATOM 829 O ALA A 55 -5.123 3.825 -11.974 1.00 74.31 O ATOM 830 CB ALA A 55 -4.128 3.313 -9.362 1.00 34.11 C ATOM 0 H ALA A 55 -1.809 2.496 -10.317 1.00 21.21 H new ATOM 0 HA ALA A 55 -4.594 1.523 -10.458 1.00 3.44 H new ATOM 0 HB1 ALA A 55 -5.136 3.722 -9.425 1.00 34.11 H new ATOM 0 HB2 ALA A 55 -4.012 2.777 -8.420 1.00 34.11 H new ATOM 0 HB3 ALA A 55 -3.403 4.126 -9.409 1.00 34.11 H new ATOM 836 N LYS A 56 -3.301 2.838 -12.844 1.00 4.24 N ATOM 837 CA LYS A 56 -3.459 3.473 -14.153 1.00 4.42 C ATOM 838 C LYS A 56 -3.145 2.501 -15.290 1.00 44.15 C ATOM 839 O LYS A 56 -3.851 2.463 -16.297 1.00 51.42 O ATOM 840 CB LYS A 56 -2.556 4.704 -14.262 1.00 22.22 C ATOM 841 CG LYS A 56 -3.228 5.893 -14.932 1.00 10.21 C ATOM 842 CD LYS A 56 -3.034 7.171 -14.131 1.00 4.24 C ATOM 843 CE LYS A 56 -3.642 7.056 -12.743 1.00 65.32 C ATOM 844 NZ LYS A 56 -3.842 8.389 -12.111 1.00 32.21 N ATOM 0 H LYS A 56 -2.494 2.218 -12.769 1.00 4.24 H new ATOM 0 HA LYS A 56 -4.501 3.779 -14.245 1.00 4.42 H new ATOM 0 HB2 LYS A 56 -2.231 4.996 -13.263 1.00 22.22 H new ATOM 0 HB3 LYS A 56 -1.660 4.439 -14.824 1.00 22.22 H new ATOM 0 HG2 LYS A 56 -2.819 6.025 -15.934 1.00 10.21 H new ATOM 0 HG3 LYS A 56 -4.293 5.693 -15.046 1.00 10.21 H new ATOM 0 HD2 LYS A 56 -1.970 7.390 -14.046 1.00 4.24 H new ATOM 0 HD3 LYS A 56 -3.490 8.007 -14.661 1.00 4.24 H new ATOM 0 HE2 LYS A 56 -4.599 6.538 -12.808 1.00 65.32 H new ATOM 0 HE3 LYS A 56 -2.993 6.449 -12.112 1.00 65.32 H new ATOM 0 HZ1 LYS A 56 -4.258 8.266 -11.166 1.00 32.21 H new ATOM 0 HZ2 LYS A 56 -2.926 8.874 -12.025 1.00 32.21 H new ATOM 0 HZ3 LYS A 56 -4.482 8.960 -12.700 1.00 32.21 H new ATOM 858 N SER A 57 -2.080 1.722 -15.124 1.00 21.53 N ATOM 859 CA SER A 57 -1.668 0.753 -16.136 1.00 44.53 C ATOM 860 C SER A 57 -2.791 -0.234 -16.446 1.00 60.45 C ATOM 861 O SER A 57 -3.959 0.029 -16.162 1.00 54.40 O ATOM 862 CB SER A 57 -0.432 -0.009 -15.656 1.00 10.34 C ATOM 863 OG SER A 57 -0.781 -0.989 -14.694 1.00 42.20 O ATOM 0 H SER A 57 -1.485 1.743 -14.296 1.00 21.53 H new ATOM 0 HA SER A 57 -1.430 1.299 -17.049 1.00 44.53 H new ATOM 0 HB2 SER A 57 0.058 -0.486 -16.505 1.00 10.34 H new ATOM 0 HB3 SER A 57 0.285 0.689 -15.225 1.00 10.34 H new ATOM 0 HG SER A 57 -0.560 -0.661 -13.798 1.00 42.20 H new ATOM 869 N GLU A 58 -2.425 -1.382 -17.016 1.00 55.23 N ATOM 870 CA GLU A 58 -3.398 -2.416 -17.347 1.00 22.24 C ATOM 871 C GLU A 58 -3.827 -3.185 -16.096 1.00 31.15 C ATOM 872 O GLU A 58 -4.496 -4.214 -16.190 1.00 31.23 O ATOM 873 CB GLU A 58 -2.815 -3.382 -18.379 1.00 12.33 C ATOM 874 CG GLU A 58 -2.191 -2.687 -19.579 1.00 25.21 C ATOM 875 CD GLU A 58 -1.675 -3.664 -20.616 1.00 5.30 C ATOM 876 OE1 GLU A 58 -0.998 -4.640 -20.227 1.00 24.30 O ATOM 877 OE2 GLU A 58 -1.947 -3.455 -21.817 1.00 25.24 O ATOM 0 H GLU A 58 -1.462 -1.617 -17.257 1.00 55.23 H new ATOM 0 HA GLU A 58 -4.277 -1.930 -17.770 1.00 22.24 H new ATOM 0 HB2 GLU A 58 -2.061 -4.004 -17.897 1.00 12.33 H new ATOM 0 HB3 GLU A 58 -3.604 -4.049 -18.726 1.00 12.33 H new ATOM 0 HG2 GLU A 58 -2.930 -2.031 -20.039 1.00 25.21 H new ATOM 0 HG3 GLU A 58 -1.370 -2.054 -19.241 1.00 25.21 H new ATOM 884 N PHE A 59 -3.451 -2.672 -14.924 1.00 74.45 N ATOM 885 CA PHE A 59 -3.811 -3.299 -13.659 1.00 21.52 C ATOM 886 C PHE A 59 -4.409 -2.259 -12.721 1.00 53.04 C ATOM 887 O PHE A 59 -4.470 -2.456 -11.508 1.00 13.31 O ATOM 888 CB PHE A 59 -2.590 -3.950 -13.008 1.00 12.03 C ATOM 889 CG PHE A 59 -1.679 -4.639 -13.985 1.00 35.24 C ATOM 890 CD1 PHE A 59 -2.060 -5.827 -14.588 1.00 22.34 C ATOM 891 CD2 PHE A 59 -0.443 -4.099 -14.301 1.00 63.25 C ATOM 892 CE1 PHE A 59 -1.226 -6.464 -15.487 1.00 44.50 C ATOM 893 CE2 PHE A 59 0.396 -4.730 -15.199 1.00 73.00 C ATOM 894 CZ PHE A 59 0.004 -5.914 -15.793 1.00 33.14 C ATOM 0 H PHE A 59 -2.896 -1.822 -14.828 1.00 74.45 H new ATOM 0 HA PHE A 59 -4.549 -4.077 -13.855 1.00 21.52 H new ATOM 0 HB2 PHE A 59 -2.024 -3.187 -12.473 1.00 12.03 H new ATOM 0 HB3 PHE A 59 -2.928 -4.674 -12.267 1.00 12.03 H new ATOM 0 HD1 PHE A 59 -3.021 -6.260 -14.352 1.00 22.34 H new ATOM 0 HD2 PHE A 59 -0.132 -3.173 -13.840 1.00 63.25 H new ATOM 0 HE1 PHE A 59 -1.535 -7.390 -15.949 1.00 44.50 H new ATOM 0 HE2 PHE A 59 1.357 -4.298 -15.436 1.00 73.00 H new ATOM 0 HZ PHE A 59 0.658 -6.409 -16.496 1.00 33.14 H new ATOM 904 N LYS A 60 -4.852 -1.151 -13.306 1.00 35.11 N ATOM 905 CA LYS A 60 -5.455 -0.064 -12.554 1.00 12.50 C ATOM 906 C LYS A 60 -6.695 -0.538 -11.802 1.00 53.32 C ATOM 907 O LYS A 60 -7.139 0.101 -10.848 1.00 1.45 O ATOM 908 CB LYS A 60 -5.815 1.064 -13.508 1.00 4.42 C ATOM 909 CG LYS A 60 -6.698 0.613 -14.652 1.00 41.52 C ATOM 910 CD LYS A 60 -7.497 1.767 -15.236 1.00 11.45 C ATOM 911 CE LYS A 60 -8.293 1.334 -16.457 1.00 63.33 C ATOM 912 NZ LYS A 60 -9.746 1.212 -16.157 1.00 32.12 N ATOM 0 H LYS A 60 -4.802 -0.985 -14.311 1.00 35.11 H new ATOM 0 HA LYS A 60 -4.737 0.295 -11.816 1.00 12.50 H new ATOM 0 HB2 LYS A 60 -6.323 1.853 -12.954 1.00 4.42 H new ATOM 0 HB3 LYS A 60 -4.900 1.497 -13.912 1.00 4.42 H new ATOM 0 HG2 LYS A 60 -6.082 0.166 -15.432 1.00 41.52 H new ATOM 0 HG3 LYS A 60 -7.380 -0.161 -14.301 1.00 41.52 H new ATOM 0 HD2 LYS A 60 -8.176 2.161 -14.479 1.00 11.45 H new ATOM 0 HD3 LYS A 60 -6.821 2.577 -15.510 1.00 11.45 H new ATOM 0 HE2 LYS A 60 -8.147 2.056 -17.260 1.00 63.33 H new ATOM 0 HE3 LYS A 60 -7.915 0.377 -16.816 1.00 63.33 H new ATOM 0 HZ1 LYS A 60 -10.262 0.981 -17.030 1.00 32.12 H new ATOM 0 HZ2 LYS A 60 -9.894 0.457 -15.457 1.00 32.12 H new ATOM 0 HZ3 LYS A 60 -10.098 2.113 -15.774 1.00 32.12 H new ATOM 926 N ASP A 61 -7.236 -1.676 -12.226 1.00 63.52 N ATOM 927 CA ASP A 61 -8.410 -2.256 -11.585 1.00 24.02 C ATOM 928 C ASP A 61 -8.000 -3.465 -10.754 1.00 52.43 C ATOM 929 O ASP A 61 -8.770 -3.972 -9.938 1.00 2.45 O ATOM 930 CB ASP A 61 -9.446 -2.665 -12.634 1.00 61.12 C ATOM 931 CG ASP A 61 -10.486 -1.587 -12.872 1.00 13.52 C ATOM 932 OD1 ASP A 61 -11.295 -1.330 -11.955 1.00 30.32 O ATOM 933 OD2 ASP A 61 -10.492 -1.001 -13.975 1.00 23.44 O ATOM 0 H ASP A 61 -6.878 -2.216 -13.014 1.00 63.52 H new ATOM 0 HA ASP A 61 -8.858 -1.508 -10.931 1.00 24.02 H new ATOM 0 HB2 ASP A 61 -8.939 -2.890 -13.572 1.00 61.12 H new ATOM 0 HB3 ASP A 61 -9.943 -3.580 -12.312 1.00 61.12 H new ATOM 938 N ARG A 62 -6.768 -3.912 -10.973 1.00 74.15 N ATOM 939 CA ARG A 62 -6.209 -5.048 -10.266 1.00 30.21 C ATOM 940 C ARG A 62 -5.665 -4.605 -8.907 1.00 43.41 C ATOM 941 O ARG A 62 -6.244 -3.732 -8.263 1.00 13.43 O ATOM 942 CB ARG A 62 -5.110 -5.675 -11.124 1.00 63.22 C ATOM 943 CG ARG A 62 -5.038 -7.185 -11.011 1.00 63.51 C ATOM 944 CD ARG A 62 -4.339 -7.802 -12.211 1.00 55.34 C ATOM 945 NE ARG A 62 -5.270 -8.083 -13.302 1.00 33.12 N ATOM 946 CZ ARG A 62 -5.016 -8.934 -14.293 1.00 32.42 C ATOM 947 NH1 ARG A 62 -3.862 -9.587 -14.338 1.00 51.31 N ATOM 948 NH2 ARG A 62 -5.920 -9.132 -15.244 1.00 30.32 N ATOM 0 H ARG A 62 -6.130 -3.492 -11.649 1.00 74.15 H new ATOM 0 HA ARG A 62 -6.984 -5.793 -10.086 1.00 30.21 H new ATOM 0 HB2 ARG A 62 -5.276 -5.405 -12.167 1.00 63.22 H new ATOM 0 HB3 ARG A 62 -4.148 -5.251 -10.834 1.00 63.22 H new ATOM 0 HG2 ARG A 62 -4.506 -7.457 -10.099 1.00 63.51 H new ATOM 0 HG3 ARG A 62 -6.045 -7.593 -10.926 1.00 63.51 H new ATOM 0 HD2 ARG A 62 -3.560 -7.126 -12.564 1.00 55.34 H new ATOM 0 HD3 ARG A 62 -3.846 -8.726 -11.908 1.00 55.34 H new ATOM 0 HE ARG A 62 -6.167 -7.598 -13.304 1.00 33.12 H new ATOM 0 HH11 ARG A 62 -3.163 -9.438 -13.610 1.00 51.31 H new ATOM 0 HH12 ARG A 62 -3.674 -10.238 -15.100 1.00 51.31 H new ATOM 0 HH21 ARG A 62 -6.809 -8.632 -15.215 1.00 30.32 H new ATOM 0 HH22 ARG A 62 -5.726 -9.784 -16.004 1.00 30.32 H new ATOM 962 N VAL A 63 -4.554 -5.198 -8.469 1.00 5.03 N ATOM 963 CA VAL A 63 -3.955 -4.841 -7.189 1.00 24.54 C ATOM 964 C VAL A 63 -3.806 -3.328 -7.074 1.00 43.11 C ATOM 965 O VAL A 63 -3.425 -2.657 -8.034 1.00 13.12 O ATOM 966 CB VAL A 63 -2.571 -5.501 -7.020 1.00 31.41 C ATOM 967 CG1 VAL A 63 -1.675 -5.158 -8.197 1.00 3.53 C ATOM 968 CG2 VAL A 63 -1.917 -5.084 -5.708 1.00 23.12 C ATOM 0 H VAL A 63 -4.054 -5.925 -8.982 1.00 5.03 H new ATOM 0 HA VAL A 63 -4.617 -5.203 -6.403 1.00 24.54 H new ATOM 0 HB VAL A 63 -2.713 -6.581 -6.992 1.00 31.41 H new ATOM 0 HG11 VAL A 63 -0.702 -5.631 -8.063 1.00 3.53 H new ATOM 0 HG12 VAL A 63 -2.131 -5.520 -9.119 1.00 3.53 H new ATOM 0 HG13 VAL A 63 -1.548 -4.077 -8.255 1.00 3.53 H new ATOM 0 HG21 VAL A 63 -0.943 -5.565 -5.618 1.00 23.12 H new ATOM 0 HG22 VAL A 63 -1.790 -4.002 -5.693 1.00 23.12 H new ATOM 0 HG23 VAL A 63 -2.550 -5.386 -4.874 1.00 23.12 H new ATOM 978 N VAL A 64 -4.118 -2.796 -5.901 1.00 64.12 N ATOM 979 CA VAL A 64 -4.027 -1.363 -5.676 1.00 33.20 C ATOM 980 C VAL A 64 -3.108 -1.037 -4.504 1.00 54.35 C ATOM 981 O VAL A 64 -3.161 -1.682 -3.457 1.00 2.41 O ATOM 982 CB VAL A 64 -5.417 -0.753 -5.410 1.00 61.33 C ATOM 983 CG1 VAL A 64 -5.310 0.742 -5.149 1.00 71.13 C ATOM 984 CG2 VAL A 64 -6.352 -1.031 -6.576 1.00 23.14 C ATOM 0 H VAL A 64 -4.435 -3.334 -5.094 1.00 64.12 H new ATOM 0 HA VAL A 64 -3.609 -0.928 -6.584 1.00 33.20 H new ATOM 0 HB VAL A 64 -5.832 -1.222 -4.518 1.00 61.33 H new ATOM 0 HG11 VAL A 64 -6.303 1.151 -4.964 1.00 71.13 H new ATOM 0 HG12 VAL A 64 -4.678 0.915 -4.278 1.00 71.13 H new ATOM 0 HG13 VAL A 64 -4.872 1.233 -6.018 1.00 71.13 H new ATOM 0 HG21 VAL A 64 -7.329 -0.593 -6.371 1.00 23.14 H new ATOM 0 HG22 VAL A 64 -5.941 -0.592 -7.485 1.00 23.14 H new ATOM 0 HG23 VAL A 64 -6.458 -2.108 -6.709 1.00 23.14 H new ATOM 994 N ILE A 65 -2.278 -0.019 -4.687 1.00 53.13 N ATOM 995 CA ILE A 65 -1.356 0.418 -3.648 1.00 64.23 C ATOM 996 C ILE A 65 -2.064 1.377 -2.696 1.00 64.25 C ATOM 997 O ILE A 65 -2.400 2.500 -3.072 1.00 74.41 O ATOM 998 CB ILE A 65 -0.121 1.106 -4.263 1.00 34.00 C ATOM 999 CG1 ILE A 65 0.544 0.183 -5.288 1.00 43.52 C ATOM 1000 CG2 ILE A 65 0.873 1.507 -3.184 1.00 13.14 C ATOM 1001 CD1 ILE A 65 0.842 -1.203 -4.755 1.00 24.43 C ATOM 0 H ILE A 65 -2.225 0.522 -5.550 1.00 53.13 H new ATOM 0 HA ILE A 65 -1.021 -0.459 -3.095 1.00 64.23 H new ATOM 0 HB ILE A 65 -0.452 2.013 -4.770 1.00 34.00 H new ATOM 0 HG12 ILE A 65 -0.104 0.096 -6.160 1.00 43.52 H new ATOM 0 HG13 ILE A 65 1.474 0.640 -5.626 1.00 43.52 H new ATOM 0 HG21 ILE A 65 1.735 1.990 -3.645 1.00 13.14 H new ATOM 0 HG22 ILE A 65 0.397 2.199 -2.490 1.00 13.14 H new ATOM 0 HG23 ILE A 65 1.201 0.619 -2.643 1.00 13.14 H new ATOM 0 HD11 ILE A 65 1.312 -1.800 -5.536 1.00 24.43 H new ATOM 0 HD12 ILE A 65 1.515 -1.127 -3.901 1.00 24.43 H new ATOM 0 HD13 ILE A 65 -0.087 -1.680 -4.443 1.00 24.43 H new ATOM 1013 N ALA A 66 -2.316 0.920 -1.473 1.00 64.35 N ATOM 1014 CA ALA A 66 -3.020 1.742 -0.486 1.00 14.51 C ATOM 1015 C ALA A 66 -2.108 2.221 0.643 1.00 73.12 C ATOM 1016 O ALA A 66 -1.049 1.651 0.895 1.00 3.24 O ATOM 1017 CB ALA A 66 -4.198 0.970 0.087 1.00 0.23 C ATOM 0 H ALA A 66 -2.047 -0.006 -1.141 1.00 64.35 H new ATOM 0 HA ALA A 66 -3.376 2.631 -1.006 1.00 14.51 H new ATOM 0 HB1 ALA A 66 -4.716 1.588 0.820 1.00 0.23 H new ATOM 0 HB2 ALA A 66 -4.886 0.707 -0.716 1.00 0.23 H new ATOM 0 HB3 ALA A 66 -3.838 0.061 0.569 1.00 0.23 H new ATOM 1023 N LYS A 67 -2.541 3.274 1.331 1.00 1.20 N ATOM 1024 CA LYS A 67 -1.780 3.830 2.440 1.00 52.23 C ATOM 1025 C LYS A 67 -2.702 4.548 3.416 1.00 31.31 C ATOM 1026 O LYS A 67 -3.727 5.106 3.023 1.00 24.30 O ATOM 1027 CB LYS A 67 -0.706 4.791 1.928 1.00 44.25 C ATOM 1028 CG LYS A 67 -1.269 6.004 1.206 1.00 70.43 C ATOM 1029 CD LYS A 67 -0.162 6.873 0.631 1.00 21.32 C ATOM 1030 CE LYS A 67 0.497 7.719 1.706 1.00 75.00 C ATOM 1031 NZ LYS A 67 1.675 7.036 2.309 1.00 23.24 N ATOM 0 H LYS A 67 -3.417 3.759 1.137 1.00 1.20 H new ATOM 0 HA LYS A 67 -1.292 3.007 2.962 1.00 52.23 H new ATOM 0 HB2 LYS A 67 -0.101 5.128 2.770 1.00 44.25 H new ATOM 0 HB3 LYS A 67 -0.041 4.253 1.253 1.00 44.25 H new ATOM 0 HG2 LYS A 67 -1.930 5.677 0.404 1.00 70.43 H new ATOM 0 HG3 LYS A 67 -1.873 6.592 1.897 1.00 70.43 H new ATOM 0 HD2 LYS A 67 0.587 6.241 0.154 1.00 21.32 H new ATOM 0 HD3 LYS A 67 -0.572 7.521 -0.143 1.00 21.32 H new ATOM 0 HE2 LYS A 67 0.810 8.671 1.277 1.00 75.00 H new ATOM 0 HE3 LYS A 67 -0.230 7.945 2.486 1.00 75.00 H new ATOM 0 HZ1 LYS A 67 1.519 6.910 3.329 1.00 23.24 H new ATOM 0 HZ2 LYS A 67 1.804 6.106 1.861 1.00 23.24 H new ATOM 0 HZ3 LYS A 67 2.526 7.614 2.158 1.00 23.24 H new ATOM 1045 N VAL A 68 -2.336 4.525 4.691 1.00 11.03 N ATOM 1046 CA VAL A 68 -3.135 5.167 5.725 1.00 72.45 C ATOM 1047 C VAL A 68 -2.249 5.831 6.774 1.00 32.14 C ATOM 1048 O VAL A 68 -1.121 5.400 7.010 1.00 51.32 O ATOM 1049 CB VAL A 68 -4.057 4.149 6.424 1.00 43.32 C ATOM 1050 CG1 VAL A 68 -3.232 3.136 7.204 1.00 42.24 C ATOM 1051 CG2 VAL A 68 -5.044 4.858 7.338 1.00 51.14 C ATOM 0 H VAL A 68 -1.491 4.068 5.033 1.00 11.03 H new ATOM 0 HA VAL A 68 -3.742 5.927 5.233 1.00 72.45 H new ATOM 0 HB VAL A 68 -4.625 3.616 5.661 1.00 43.32 H new ATOM 0 HG11 VAL A 68 -3.897 2.424 7.692 1.00 42.24 H new ATOM 0 HG12 VAL A 68 -2.569 2.604 6.522 1.00 42.24 H new ATOM 0 HG13 VAL A 68 -2.638 3.653 7.958 1.00 42.24 H new ATOM 0 HG21 VAL A 68 -5.686 4.122 7.822 1.00 51.14 H new ATOM 0 HG22 VAL A 68 -4.499 5.419 8.097 1.00 51.14 H new ATOM 0 HG23 VAL A 68 -5.656 5.543 6.751 1.00 51.14 H new ATOM 1061 N ASP A 69 -2.771 6.874 7.407 1.00 50.51 N ATOM 1062 CA ASP A 69 -2.032 7.585 8.439 1.00 43.22 C ATOM 1063 C ASP A 69 -2.268 6.944 9.803 1.00 5.23 C ATOM 1064 O ASP A 69 -3.355 7.052 10.371 1.00 5.32 O ATOM 1065 CB ASP A 69 -2.446 9.057 8.470 1.00 32.22 C ATOM 1066 CG ASP A 69 -1.258 9.989 8.612 1.00 4.11 C ATOM 1067 OD1 ASP A 69 -0.416 9.747 9.502 1.00 42.00 O ATOM 1068 OD2 ASP A 69 -1.170 10.961 7.832 1.00 53.31 O ATOM 0 H ASP A 69 -3.703 7.245 7.223 1.00 50.51 H new ATOM 0 HA ASP A 69 -0.969 7.524 8.205 1.00 43.22 H new ATOM 0 HB2 ASP A 69 -2.987 9.299 7.555 1.00 32.22 H new ATOM 0 HB3 ASP A 69 -3.134 9.221 9.299 1.00 32.22 H new ATOM 1073 N ALA A 70 -1.244 6.274 10.320 1.00 52.42 N ATOM 1074 CA ALA A 70 -1.338 5.611 11.617 1.00 24.21 C ATOM 1075 C ALA A 70 -1.394 6.620 12.761 1.00 22.35 C ATOM 1076 O ALA A 70 -1.630 6.254 13.912 1.00 53.45 O ATOM 1077 CB ALA A 70 -0.158 4.673 11.809 1.00 61.12 C ATOM 0 H ALA A 70 -0.338 6.175 9.861 1.00 52.42 H new ATOM 0 HA ALA A 70 -2.265 5.037 11.632 1.00 24.21 H new ATOM 0 HB1 ALA A 70 -0.237 4.183 12.779 1.00 61.12 H new ATOM 0 HB2 ALA A 70 -0.160 3.920 11.021 1.00 61.12 H new ATOM 0 HB3 ALA A 70 0.770 5.242 11.764 1.00 61.12 H new ATOM 1083 N THR A 71 -1.164 7.889 12.441 1.00 42.24 N ATOM 1084 CA THR A 71 -1.176 8.946 13.447 1.00 3.43 C ATOM 1085 C THR A 71 -2.282 9.964 13.183 1.00 33.43 C ATOM 1086 O THR A 71 -2.562 10.819 14.024 1.00 51.01 O ATOM 1087 CB THR A 71 0.176 9.650 13.465 1.00 25.35 C ATOM 1088 OG1 THR A 71 0.163 10.748 14.360 1.00 70.43 O ATOM 1089 CG2 THR A 71 0.594 10.164 12.106 1.00 30.12 C ATOM 0 H THR A 71 -0.967 8.211 11.493 1.00 42.24 H new ATOM 0 HA THR A 71 -1.370 8.485 14.416 1.00 3.43 H new ATOM 0 HB THR A 71 0.893 8.895 13.788 1.00 25.35 H new ATOM 0 HG1 THR A 71 -0.730 11.151 14.370 1.00 70.43 H new ATOM 0 HG21 THR A 71 1.564 10.655 12.185 1.00 30.12 H new ATOM 0 HG22 THR A 71 0.665 9.330 11.408 1.00 30.12 H new ATOM 0 HG23 THR A 71 -0.145 10.878 11.744 1.00 30.12 H new ATOM 1097 N ALA A 72 -2.908 9.870 12.017 1.00 0.30 N ATOM 1098 CA ALA A 72 -3.980 10.781 11.651 1.00 75.21 C ATOM 1099 C ALA A 72 -5.319 10.057 11.615 1.00 45.34 C ATOM 1100 O ALA A 72 -6.378 10.686 11.603 1.00 45.33 O ATOM 1101 CB ALA A 72 -3.688 11.423 10.303 1.00 51.24 C ATOM 0 H ALA A 72 -2.690 9.170 11.308 1.00 0.30 H new ATOM 0 HA ALA A 72 -4.038 11.563 12.408 1.00 75.21 H new ATOM 0 HB1 ALA A 72 -4.499 12.103 10.041 1.00 51.24 H new ATOM 0 HB2 ALA A 72 -2.752 11.979 10.360 1.00 51.24 H new ATOM 0 HB3 ALA A 72 -3.604 10.648 9.541 1.00 51.24 H new ATOM 1107 N ASN A 73 -5.263 8.730 11.592 1.00 1.30 N ATOM 1108 CA ASN A 73 -6.466 7.915 11.550 1.00 2.25 C ATOM 1109 C ASN A 73 -6.397 6.791 12.579 1.00 71.03 C ATOM 1110 O ASN A 73 -5.425 6.038 12.626 1.00 22.02 O ATOM 1111 CB ASN A 73 -6.648 7.334 10.149 1.00 15.54 C ATOM 1112 CG ASN A 73 -6.426 8.365 9.060 1.00 54.52 C ATOM 1113 OD1 ASN A 73 -7.333 9.120 8.709 1.00 72.24 O ATOM 1114 ND2 ASN A 73 -5.214 8.401 8.519 1.00 11.11 N ATOM 0 H ASN A 73 -4.393 8.197 11.602 1.00 1.30 H new ATOM 0 HA ASN A 73 -7.321 8.546 11.792 1.00 2.25 H new ATOM 0 HB2 ASN A 73 -5.952 6.507 10.009 1.00 15.54 H new ATOM 0 HB3 ASN A 73 -7.654 6.924 10.057 1.00 15.54 H new ATOM 0 HD21 ASN A 73 -5.005 9.074 7.781 1.00 11.11 H new ATOM 0 HD22 ASN A 73 -4.492 7.756 8.841 1.00 11.11 H new ATOM 1121 N ASP A 74 -7.435 6.685 13.404 1.00 10.14 N ATOM 1122 CA ASP A 74 -7.490 5.654 14.434 1.00 32.42 C ATOM 1123 C ASP A 74 -7.858 4.301 13.832 1.00 31.33 C ATOM 1124 O ASP A 74 -9.036 3.970 13.697 1.00 44.21 O ATOM 1125 CB ASP A 74 -8.503 6.036 15.514 1.00 3.14 C ATOM 1126 CG ASP A 74 -8.199 7.383 16.141 1.00 10.31 C ATOM 1127 OD1 ASP A 74 -7.416 7.422 17.114 1.00 34.45 O ATOM 1128 OD2 ASP A 74 -8.744 8.398 15.660 1.00 5.34 O ATOM 0 H ASP A 74 -8.248 7.300 13.379 1.00 10.14 H new ATOM 0 HA ASP A 74 -6.501 5.574 14.885 1.00 32.42 H new ATOM 0 HB2 ASP A 74 -9.502 6.058 15.080 1.00 3.14 H new ATOM 0 HB3 ASP A 74 -8.509 5.270 16.290 1.00 3.14 H new ATOM 1133 N VAL A 75 -6.842 3.525 13.472 1.00 53.50 N ATOM 1134 CA VAL A 75 -7.057 2.209 12.882 1.00 63.22 C ATOM 1135 C VAL A 75 -7.675 1.244 13.893 1.00 35.25 C ATOM 1136 O VAL A 75 -7.427 1.348 15.094 1.00 64.10 O ATOM 1137 CB VAL A 75 -5.741 1.611 12.346 1.00 4.11 C ATOM 1138 CG1 VAL A 75 -5.097 2.556 11.344 1.00 33.13 C ATOM 1139 CG2 VAL A 75 -4.782 1.301 13.486 1.00 12.01 C ATOM 0 H VAL A 75 -5.861 3.784 13.578 1.00 53.50 H new ATOM 0 HA VAL A 75 -7.748 2.344 12.050 1.00 63.22 H new ATOM 0 HB VAL A 75 -5.973 0.675 11.838 1.00 4.11 H new ATOM 0 HG11 VAL A 75 -4.169 2.118 10.976 1.00 33.13 H new ATOM 0 HG12 VAL A 75 -5.778 2.720 10.509 1.00 33.13 H new ATOM 0 HG13 VAL A 75 -4.882 3.508 11.828 1.00 33.13 H new ATOM 0 HG21 VAL A 75 -3.861 0.880 13.082 1.00 12.01 H new ATOM 0 HG22 VAL A 75 -4.554 2.218 14.029 1.00 12.01 H new ATOM 0 HG23 VAL A 75 -5.243 0.582 14.164 1.00 12.01 H new ATOM 1149 N PRO A 76 -8.491 0.288 13.416 1.00 60.33 N ATOM 1150 CA PRO A 76 -9.144 -0.696 14.282 1.00 75.42 C ATOM 1151 C PRO A 76 -8.175 -1.763 14.781 1.00 43.21 C ATOM 1152 O PRO A 76 -8.388 -2.367 15.832 1.00 21.12 O ATOM 1153 CB PRO A 76 -10.201 -1.318 13.369 1.00 73.42 C ATOM 1154 CG PRO A 76 -9.638 -1.183 11.997 1.00 11.44 C ATOM 1155 CD PRO A 76 -8.841 0.094 11.995 1.00 24.22 C ATOM 0 HA PRO A 76 -9.552 -0.241 15.184 1.00 75.42 H new ATOM 0 HB2 PRO A 76 -10.379 -2.363 13.623 1.00 73.42 H new ATOM 0 HB3 PRO A 76 -11.156 -0.801 13.458 1.00 73.42 H new ATOM 0 HG2 PRO A 76 -9.007 -2.036 11.749 1.00 11.44 H new ATOM 0 HG3 PRO A 76 -10.433 -1.147 11.252 1.00 11.44 H new ATOM 0 HD2 PRO A 76 -7.951 0.010 11.371 1.00 24.22 H new ATOM 0 HD3 PRO A 76 -9.424 0.930 11.608 1.00 24.22 H new ATOM 1163 N ASP A 77 -7.108 -1.989 14.020 1.00 62.52 N ATOM 1164 CA ASP A 77 -6.106 -2.983 14.385 1.00 21.44 C ATOM 1165 C ASP A 77 -5.084 -2.393 15.351 1.00 3.52 C ATOM 1166 O ASP A 77 -5.008 -1.177 15.524 1.00 0.40 O ATOM 1167 CB ASP A 77 -5.401 -3.510 13.134 1.00 64.14 C ATOM 1168 CG ASP A 77 -6.004 -4.809 12.635 1.00 73.22 C ATOM 1169 OD1 ASP A 77 -7.247 -4.931 12.649 1.00 31.34 O ATOM 1170 OD2 ASP A 77 -5.233 -5.704 12.229 1.00 20.50 O ATOM 0 H ASP A 77 -6.916 -1.497 13.147 1.00 62.52 H new ATOM 0 HA ASP A 77 -6.613 -3.810 14.882 1.00 21.44 H new ATOM 0 HB2 ASP A 77 -5.457 -2.760 12.345 1.00 64.14 H new ATOM 0 HB3 ASP A 77 -4.344 -3.664 13.353 1.00 64.14 H new ATOM 1253 N PRO A 83 5.864 2.758 11.838 1.00 3.04 N ATOM 1254 CA PRO A 83 4.811 2.426 10.874 1.00 54.24 C ATOM 1255 C PRO A 83 4.833 0.954 10.478 1.00 11.33 C ATOM 1256 O PRO A 83 5.554 0.155 11.075 1.00 42.02 O ATOM 1257 CB PRO A 83 5.122 3.315 9.662 1.00 3.23 C ATOM 1258 CG PRO A 83 6.249 4.207 10.079 1.00 1.32 C ATOM 1259 CD PRO A 83 6.951 3.506 11.204 1.00 54.44 C ATOM 0 HA PRO A 83 3.818 2.596 11.290 1.00 54.24 H new ATOM 0 HB2 PRO A 83 5.402 2.712 8.798 1.00 3.23 H new ATOM 0 HB3 PRO A 83 4.249 3.900 9.373 1.00 3.23 H new ATOM 0 HG2 PRO A 83 6.931 4.386 9.247 1.00 1.32 H new ATOM 0 HG3 PRO A 83 5.876 5.180 10.400 1.00 1.32 H new ATOM 0 HD2 PRO A 83 7.740 2.847 10.842 1.00 54.44 H new ATOM 0 HD3 PRO A 83 7.416 4.210 11.894 1.00 54.44 H new ATOM 1267 N THR A 84 4.034 0.595 9.476 1.00 2.41 N ATOM 1268 CA THR A 84 3.966 -0.793 9.022 1.00 41.24 C ATOM 1269 C THR A 84 3.305 -0.889 7.649 1.00 32.43 C ATOM 1270 O THR A 84 2.459 -0.071 7.305 1.00 60.21 O ATOM 1271 CB THR A 84 3.187 -1.635 10.039 1.00 10.10 C ATOM 1272 OG1 THR A 84 3.806 -1.580 11.312 1.00 22.31 O ATOM 1273 CG2 THR A 84 3.061 -3.095 9.656 1.00 53.53 C ATOM 0 H THR A 84 3.429 1.239 8.966 1.00 2.41 H new ATOM 0 HA THR A 84 4.983 -1.176 8.937 1.00 41.24 H new ATOM 0 HB THR A 84 2.188 -1.199 10.059 1.00 10.10 H new ATOM 0 HG1 THR A 84 4.710 -1.213 11.220 1.00 22.31 H new ATOM 0 HG21 THR A 84 2.498 -3.625 10.424 1.00 53.53 H new ATOM 0 HG22 THR A 84 2.540 -3.177 8.702 1.00 53.53 H new ATOM 0 HG23 THR A 84 4.054 -3.535 9.566 1.00 53.53 H new ATOM 1281 N ILE A 85 3.684 -1.903 6.874 1.00 60.42 N ATOM 1282 CA ILE A 85 3.110 -2.106 5.549 1.00 22.33 C ATOM 1283 C ILE A 85 2.429 -3.466 5.459 1.00 73.34 C ATOM 1284 O ILE A 85 3.074 -4.491 5.269 1.00 71.15 O ATOM 1285 CB ILE A 85 4.169 -1.999 4.440 1.00 41.20 C ATOM 1286 CG1 ILE A 85 4.998 -0.722 4.627 1.00 4.04 C ATOM 1287 CG2 ILE A 85 3.494 -2.028 3.075 1.00 44.35 C ATOM 1288 CD1 ILE A 85 5.569 -0.161 3.342 1.00 54.43 C ATOM 0 H ILE A 85 4.385 -2.594 7.141 1.00 60.42 H new ATOM 0 HA ILE A 85 2.375 -1.315 5.401 1.00 22.33 H new ATOM 0 HB ILE A 85 4.846 -2.851 4.501 1.00 41.20 H new ATOM 0 HG12 ILE A 85 4.374 0.038 5.097 1.00 4.04 H new ATOM 0 HG13 ILE A 85 5.817 -0.931 5.315 1.00 4.04 H new ATOM 0 HG21 ILE A 85 4.250 -1.952 2.294 1.00 44.35 H new ATOM 0 HG22 ILE A 85 2.946 -2.963 2.960 1.00 44.35 H new ATOM 0 HG23 ILE A 85 2.802 -1.190 2.993 1.00 44.35 H new ATOM 0 HD11 ILE A 85 6.141 0.741 3.561 1.00 54.43 H new ATOM 0 HD12 ILE A 85 6.222 -0.902 2.880 1.00 54.43 H new ATOM 0 HD13 ILE A 85 4.756 0.083 2.658 1.00 54.43 H new ATOM 1300 N LYS A 86 1.118 -3.458 5.602 1.00 3.11 N ATOM 1301 CA LYS A 86 0.329 -4.683 5.551 1.00 60.53 C ATOM 1302 C LYS A 86 -0.300 -4.880 4.177 1.00 52.11 C ATOM 1303 O LYS A 86 -0.971 -3.990 3.654 1.00 22.13 O ATOM 1304 CB LYS A 86 -0.761 -4.652 6.623 1.00 33.22 C ATOM 1305 CG LYS A 86 -0.226 -4.419 8.028 1.00 12.03 C ATOM 1306 CD LYS A 86 -0.825 -5.400 9.025 1.00 13.41 C ATOM 1307 CE LYS A 86 -0.830 -4.829 10.434 1.00 71.15 C ATOM 1308 NZ LYS A 86 0.247 -5.418 11.277 1.00 24.02 N ATOM 0 H LYS A 86 0.569 -2.612 5.756 1.00 3.11 H new ATOM 0 HA LYS A 86 0.999 -5.521 5.741 1.00 60.53 H new ATOM 0 HB2 LYS A 86 -1.476 -3.866 6.380 1.00 33.22 H new ATOM 0 HB3 LYS A 86 -1.306 -5.596 6.603 1.00 33.22 H new ATOM 0 HG2 LYS A 86 0.859 -4.519 8.026 1.00 12.03 H new ATOM 0 HG3 LYS A 86 -0.452 -3.399 8.340 1.00 12.03 H new ATOM 0 HD2 LYS A 86 -1.844 -5.646 8.727 1.00 13.41 H new ATOM 0 HD3 LYS A 86 -0.255 -6.329 9.010 1.00 13.41 H new ATOM 0 HE2 LYS A 86 -0.704 -3.747 10.388 1.00 71.15 H new ATOM 0 HE3 LYS A 86 -1.798 -5.017 10.898 1.00 71.15 H new ATOM 0 HZ1 LYS A 86 0.354 -4.856 12.146 1.00 24.02 H new ATOM 0 HZ2 LYS A 86 -0.003 -6.396 11.526 1.00 24.02 H new ATOM 0 HZ3 LYS A 86 1.143 -5.413 10.749 1.00 24.02 H new ATOM 1322 N LEU A 87 -0.076 -6.054 3.598 1.00 25.44 N ATOM 1323 CA LEU A 87 -0.618 -6.375 2.281 1.00 13.34 C ATOM 1324 C LEU A 87 -1.853 -7.262 2.397 1.00 25.24 C ATOM 1325 O LEU A 87 -1.747 -8.442 2.727 1.00 31.53 O ATOM 1326 CB LEU A 87 0.445 -7.090 1.447 1.00 63.02 C ATOM 1327 CG LEU A 87 0.069 -7.414 -0.013 1.00 64.25 C ATOM 1328 CD1 LEU A 87 -0.759 -8.685 -0.073 1.00 33.42 C ATOM 1329 CD2 LEU A 87 -0.690 -6.262 -0.658 1.00 30.13 C ATOM 0 H LEU A 87 0.477 -6.800 4.019 1.00 25.44 H new ATOM 0 HA LEU A 87 -0.907 -5.443 1.795 1.00 13.34 H new ATOM 0 HB2 LEU A 87 1.344 -6.474 1.439 1.00 63.02 H new ATOM 0 HB3 LEU A 87 0.702 -8.023 1.949 1.00 63.02 H new ATOM 0 HG LEU A 87 0.993 -7.563 -0.572 1.00 64.25 H new ATOM 0 HD11 LEU A 87 -1.018 -8.902 -1.109 1.00 33.42 H new ATOM 0 HD12 LEU A 87 -0.183 -9.514 0.339 1.00 33.42 H new ATOM 0 HD13 LEU A 87 -1.671 -8.553 0.509 1.00 33.42 H new ATOM 0 HD21 LEU A 87 -0.940 -6.522 -1.687 1.00 30.13 H new ATOM 0 HD22 LEU A 87 -1.606 -6.071 -0.099 1.00 30.13 H new ATOM 0 HD23 LEU A 87 -0.068 -5.367 -0.651 1.00 30.13 H new ATOM 1341 N TYR A 88 -3.021 -6.695 2.112 1.00 32.44 N ATOM 1342 CA TYR A 88 -4.265 -7.454 2.170 1.00 20.25 C ATOM 1343 C TYR A 88 -4.618 -7.987 0.786 1.00 64.41 C ATOM 1344 O TYR A 88 -5.285 -7.307 0.006 1.00 42.44 O ATOM 1345 CB TYR A 88 -5.417 -6.592 2.685 1.00 52.13 C ATOM 1346 CG TYR A 88 -5.314 -6.217 4.145 1.00 21.13 C ATOM 1347 CD1 TYR A 88 -4.195 -5.559 4.638 1.00 30.13 C ATOM 1348 CD2 TYR A 88 -6.343 -6.516 5.030 1.00 73.15 C ATOM 1349 CE1 TYR A 88 -4.103 -5.211 5.972 1.00 35.44 C ATOM 1350 CE2 TYR A 88 -6.258 -6.171 6.365 1.00 54.40 C ATOM 1351 CZ TYR A 88 -5.136 -5.519 6.830 1.00 1.22 C ATOM 1352 OH TYR A 88 -5.046 -5.176 8.159 1.00 3.10 O ATOM 0 H TYR A 88 -3.132 -5.718 1.840 1.00 32.44 H new ATOM 0 HA TYR A 88 -4.115 -8.284 2.860 1.00 20.25 H new ATOM 0 HB2 TYR A 88 -5.465 -5.679 2.091 1.00 52.13 H new ATOM 0 HB3 TYR A 88 -6.354 -7.126 2.525 1.00 52.13 H new ATOM 0 HD1 TYR A 88 -3.384 -5.315 3.968 1.00 30.13 H new ATOM 0 HD2 TYR A 88 -7.223 -7.026 4.668 1.00 73.15 H new ATOM 0 HE1 TYR A 88 -3.226 -4.700 6.340 1.00 35.44 H new ATOM 0 HE2 TYR A 88 -7.066 -6.411 7.040 1.00 54.40 H new ATOM 0 HH TYR A 88 -5.495 -4.317 8.306 1.00 3.10 H new ATOM 1362 N PRO A 89 -4.179 -9.211 0.457 1.00 54.33 N ATOM 1363 CA PRO A 89 -4.458 -9.822 -0.839 1.00 44.12 C ATOM 1364 C PRO A 89 -5.939 -9.893 -1.123 1.00 5.24 C ATOM 1365 O PRO A 89 -6.765 -9.543 -0.282 1.00 54.43 O ATOM 1366 CB PRO A 89 -3.910 -11.249 -0.702 1.00 1.30 C ATOM 1367 CG PRO A 89 -3.707 -11.452 0.757 1.00 52.43 C ATOM 1368 CD PRO A 89 -3.388 -10.101 1.311 1.00 64.41 C ATOM 0 HA PRO A 89 -4.013 -9.247 -1.651 1.00 44.12 H new ATOM 0 HB2 PRO A 89 -4.610 -11.980 -1.107 1.00 1.30 H new ATOM 0 HB3 PRO A 89 -2.975 -11.366 -1.249 1.00 1.30 H new ATOM 0 HG2 PRO A 89 -4.601 -11.866 1.223 1.00 52.43 H new ATOM 0 HG3 PRO A 89 -2.895 -12.155 0.946 1.00 52.43 H new ATOM 0 HD2 PRO A 89 -3.673 -10.015 2.360 1.00 64.41 H new ATOM 0 HD3 PRO A 89 -2.322 -9.879 1.251 1.00 64.41 H new ATOM 1376 N ALA A 90 -6.270 -10.393 -2.297 1.00 0.43 N ATOM 1377 CA ALA A 90 -7.658 -10.561 -2.665 1.00 75.24 C ATOM 1378 C ALA A 90 -8.080 -11.981 -2.347 1.00 45.22 C ATOM 1379 O ALA A 90 -8.582 -12.712 -3.201 1.00 1.13 O ATOM 1380 CB ALA A 90 -7.876 -10.241 -4.135 1.00 33.05 C ATOM 0 H ALA A 90 -5.600 -10.688 -3.007 1.00 0.43 H new ATOM 0 HA ALA A 90 -8.271 -9.865 -2.092 1.00 75.24 H new ATOM 0 HB1 ALA A 90 -8.928 -10.376 -4.384 1.00 33.05 H new ATOM 0 HB2 ALA A 90 -7.586 -9.208 -4.329 1.00 33.05 H new ATOM 0 HB3 ALA A 90 -7.270 -10.909 -4.747 1.00 33.05 H new ATOM 1386 N GLY A 91 -7.856 -12.358 -1.096 1.00 72.10 N ATOM 1387 CA GLY A 91 -8.197 -13.690 -0.642 1.00 72.44 C ATOM 1388 C GLY A 91 -7.606 -14.003 0.719 1.00 51.35 C ATOM 1389 O GLY A 91 -8.067 -14.916 1.405 1.00 44.12 O ATOM 0 H GLY A 91 -7.441 -11.759 -0.383 1.00 72.10 H new ATOM 0 HA2 GLY A 91 -9.282 -13.789 -0.596 1.00 72.44 H new ATOM 0 HA3 GLY A 91 -7.840 -14.421 -1.367 1.00 72.44 H new ATOM 1393 N ALA A 92 -6.587 -13.242 1.118 1.00 43.32 N ATOM 1394 CA ALA A 92 -5.947 -13.451 2.412 1.00 72.41 C ATOM 1395 C ALA A 92 -5.894 -12.148 3.199 1.00 74.42 C ATOM 1396 O ALA A 92 -4.872 -11.803 3.791 1.00 70.33 O ATOM 1397 CB ALA A 92 -4.551 -14.029 2.230 1.00 31.53 C ATOM 0 H ALA A 92 -6.191 -12.481 0.567 1.00 43.32 H new ATOM 0 HA ALA A 92 -6.541 -14.167 2.979 1.00 72.41 H new ATOM 0 HB1 ALA A 92 -4.089 -14.178 3.206 1.00 31.53 H new ATOM 0 HB2 ALA A 92 -4.618 -14.985 1.710 1.00 31.53 H new ATOM 0 HB3 ALA A 92 -3.945 -13.339 1.643 1.00 31.53 H new ATOM 1403 N LYS A 93 -7.011 -11.428 3.195 1.00 63.44 N ATOM 1404 CA LYS A 93 -7.115 -10.157 3.901 1.00 62.03 C ATOM 1405 C LYS A 93 -7.241 -10.373 5.412 1.00 52.40 C ATOM 1406 O LYS A 93 -7.339 -9.413 6.177 1.00 73.44 O ATOM 1407 CB LYS A 93 -8.323 -9.366 3.389 1.00 51.10 C ATOM 1408 CG LYS A 93 -8.624 -9.573 1.910 1.00 74.33 C ATOM 1409 CD LYS A 93 -9.986 -10.219 1.699 1.00 31.12 C ATOM 1410 CE LYS A 93 -9.903 -11.396 0.741 1.00 50.44 C ATOM 1411 NZ LYS A 93 -11.031 -12.349 0.931 1.00 73.13 N ATOM 0 H LYS A 93 -7.862 -11.706 2.707 1.00 63.44 H new ATOM 0 HA LYS A 93 -6.204 -9.591 3.709 1.00 62.03 H new ATOM 0 HB2 LYS A 93 -9.201 -9.649 3.970 1.00 51.10 H new ATOM 0 HB3 LYS A 93 -8.151 -8.305 3.568 1.00 51.10 H new ATOM 0 HG2 LYS A 93 -8.592 -8.613 1.394 1.00 74.33 H new ATOM 0 HG3 LYS A 93 -7.851 -10.200 1.465 1.00 74.33 H new ATOM 0 HD2 LYS A 93 -10.382 -10.556 2.657 1.00 31.12 H new ATOM 0 HD3 LYS A 93 -10.684 -9.479 1.308 1.00 31.12 H new ATOM 0 HE2 LYS A 93 -9.907 -11.029 -0.285 1.00 50.44 H new ATOM 0 HE3 LYS A 93 -8.958 -11.918 0.889 1.00 50.44 H new ATOM 0 HZ1 LYS A 93 -11.295 -12.762 0.014 1.00 73.13 H new ATOM 0 HZ2 LYS A 93 -10.739 -13.107 1.581 1.00 73.13 H new ATOM 0 HZ3 LYS A 93 -11.848 -11.845 1.331 1.00 73.13 H new ATOM 1425 N GLY A 94 -7.233 -11.637 5.837 1.00 31.24 N ATOM 1426 CA GLY A 94 -7.340 -11.952 7.248 1.00 21.30 C ATOM 1427 C GLY A 94 -5.983 -12.071 7.908 1.00 43.25 C ATOM 1428 O GLY A 94 -5.862 -11.929 9.125 1.00 34.03 O ATOM 0 H GLY A 94 -7.154 -12.448 5.224 1.00 31.24 H new ATOM 0 HA2 GLY A 94 -7.920 -11.177 7.749 1.00 21.30 H new ATOM 0 HA3 GLY A 94 -7.886 -12.888 7.370 1.00 21.30 H new ATOM 1432 N GLN A 95 -4.955 -12.308 7.098 1.00 30.14 N ATOM 1433 CA GLN A 95 -3.598 -12.417 7.604 1.00 32.12 C ATOM 1434 C GLN A 95 -2.635 -11.688 6.675 1.00 35.41 C ATOM 1435 O GLN A 95 -1.648 -12.256 6.206 1.00 1.14 O ATOM 1436 CB GLN A 95 -3.184 -13.879 7.749 1.00 22.32 C ATOM 1437 CG GLN A 95 -1.763 -14.042 8.258 1.00 60.44 C ATOM 1438 CD GLN A 95 -1.650 -15.069 9.367 1.00 22.42 C ATOM 1439 OE1 GLN A 95 -2.408 -15.038 10.337 1.00 5.02 O ATOM 1440 NE2 GLN A 95 -0.701 -15.987 9.229 1.00 12.52 N ATOM 0 H GLN A 95 -5.040 -12.428 6.089 1.00 30.14 H new ATOM 0 HA GLN A 95 -3.562 -11.955 8.591 1.00 32.12 H new ATOM 0 HB2 GLN A 95 -3.869 -14.379 8.433 1.00 22.32 H new ATOM 0 HB3 GLN A 95 -3.278 -14.376 6.783 1.00 22.32 H new ATOM 0 HG2 GLN A 95 -1.117 -14.335 7.430 1.00 60.44 H new ATOM 0 HG3 GLN A 95 -1.400 -13.081 8.621 1.00 60.44 H new ATOM 0 HE21 GLN A 95 -0.095 -15.975 8.409 1.00 12.52 H new ATOM 0 HE22 GLN A 95 -0.578 -16.704 9.943 1.00 12.52 H new ATOM 1449 N PRO A 96 -2.928 -10.408 6.403 1.00 24.22 N ATOM 1450 CA PRO A 96 -2.116 -9.551 5.537 1.00 41.01 C ATOM 1451 C PRO A 96 -0.619 -9.762 5.710 1.00 1.53 C ATOM 1452 O PRO A 96 -0.181 -10.488 6.603 1.00 11.13 O ATOM 1453 CB PRO A 96 -2.477 -8.161 6.036 1.00 75.41 C ATOM 1454 CG PRO A 96 -3.887 -8.265 6.500 1.00 12.13 C ATOM 1455 CD PRO A 96 -4.107 -9.691 6.921 1.00 13.13 C ATOM 0 HA PRO A 96 -2.312 -9.745 4.482 1.00 41.01 H new ATOM 0 HB2 PRO A 96 -1.818 -7.851 6.847 1.00 75.41 H new ATOM 0 HB3 PRO A 96 -2.377 -7.420 5.243 1.00 75.41 H new ATOM 0 HG2 PRO A 96 -4.070 -7.585 7.332 1.00 12.13 H new ATOM 0 HG3 PRO A 96 -4.577 -7.987 5.703 1.00 12.13 H new ATOM 0 HD2 PRO A 96 -4.182 -9.779 8.005 1.00 13.13 H new ATOM 0 HD3 PRO A 96 -5.031 -10.091 6.504 1.00 13.13 H new ATOM 1463 N VAL A 97 0.172 -9.088 4.881 1.00 3.32 N ATOM 1464 CA VAL A 97 1.607 -9.181 4.985 1.00 62.24 C ATOM 1465 C VAL A 97 2.139 -7.972 5.725 1.00 12.14 C ATOM 1466 O VAL A 97 2.571 -6.997 5.110 1.00 15.12 O ATOM 1467 CB VAL A 97 2.286 -9.273 3.608 1.00 14.00 C ATOM 1468 CG1 VAL A 97 3.783 -9.488 3.769 1.00 44.42 C ATOM 1469 CG2 VAL A 97 1.662 -10.387 2.780 1.00 64.03 C ATOM 0 H VAL A 97 -0.163 -8.477 4.136 1.00 3.32 H new ATOM 0 HA VAL A 97 1.838 -10.096 5.530 1.00 62.24 H new ATOM 0 HB VAL A 97 2.132 -8.332 3.079 1.00 14.00 H new ATOM 0 HG11 VAL A 97 4.249 -9.551 2.786 1.00 44.42 H new ATOM 0 HG12 VAL A 97 4.213 -8.653 4.322 1.00 44.42 H new ATOM 0 HG13 VAL A 97 3.961 -10.414 4.315 1.00 44.42 H new ATOM 0 HG21 VAL A 97 2.154 -10.438 1.809 1.00 64.03 H new ATOM 0 HG22 VAL A 97 1.784 -11.338 3.299 1.00 64.03 H new ATOM 0 HG23 VAL A 97 0.600 -10.184 2.638 1.00 64.03 H new ATOM 1479 N THR A 98 2.092 -8.040 7.050 1.00 41.44 N ATOM 1480 CA THR A 98 2.572 -6.953 7.886 1.00 64.43 C ATOM 1481 C THR A 98 4.048 -6.721 7.609 1.00 21.02 C ATOM 1482 O THR A 98 4.843 -7.661 7.604 1.00 30.03 O ATOM 1483 CB THR A 98 2.339 -7.276 9.359 1.00 34.02 C ATOM 1484 OG1 THR A 98 2.674 -6.168 10.176 1.00 24.31 O ATOM 1485 CG2 THR A 98 3.134 -8.467 9.848 1.00 50.13 C ATOM 0 H THR A 98 1.725 -8.839 7.567 1.00 41.44 H new ATOM 0 HA THR A 98 2.021 -6.042 7.652 1.00 64.43 H new ATOM 0 HB THR A 98 1.278 -7.516 9.435 1.00 34.02 H new ATOM 0 HG1 THR A 98 2.685 -6.446 11.116 1.00 24.31 H new ATOM 0 HG21 THR A 98 2.920 -8.639 10.903 1.00 50.13 H new ATOM 0 HG22 THR A 98 2.857 -9.350 9.272 1.00 50.13 H new ATOM 0 HG23 THR A 98 4.199 -8.271 9.721 1.00 50.13 H new ATOM 1493 N TYR A 99 4.403 -5.478 7.332 1.00 11.02 N ATOM 1494 CA TYR A 99 5.776 -5.147 7.000 1.00 35.40 C ATOM 1495 C TYR A 99 6.250 -3.888 7.717 1.00 21.30 C ATOM 1496 O TYR A 99 5.483 -3.234 8.419 1.00 23.13 O ATOM 1497 CB TYR A 99 5.877 -4.968 5.487 1.00 10.30 C ATOM 1498 CG TYR A 99 6.813 -5.951 4.824 1.00 52.22 C ATOM 1499 CD1 TYR A 99 6.362 -7.213 4.451 1.00 4.22 C ATOM 1500 CD2 TYR A 99 8.139 -5.625 4.575 1.00 32.43 C ATOM 1501 CE1 TYR A 99 7.211 -8.121 3.847 1.00 35.13 C ATOM 1502 CE2 TYR A 99 8.993 -6.528 3.970 1.00 14.41 C ATOM 1503 CZ TYR A 99 8.524 -7.774 3.609 1.00 52.53 C ATOM 1504 OH TYR A 99 9.372 -8.675 3.008 1.00 43.14 O ATOM 0 H TYR A 99 3.762 -4.685 7.331 1.00 11.02 H new ATOM 0 HA TYR A 99 6.423 -5.959 7.331 1.00 35.40 H new ATOM 0 HB2 TYR A 99 4.884 -5.073 5.050 1.00 10.30 H new ATOM 0 HB3 TYR A 99 6.215 -3.955 5.271 1.00 10.30 H new ATOM 0 HD1 TYR A 99 5.334 -7.487 4.636 1.00 4.22 H new ATOM 0 HD2 TYR A 99 8.509 -4.651 4.858 1.00 32.43 H new ATOM 0 HE1 TYR A 99 6.848 -9.098 3.563 1.00 35.13 H new ATOM 0 HE2 TYR A 99 10.022 -6.259 3.781 1.00 14.41 H new ATOM 0 HH TYR A 99 10.261 -8.274 2.912 1.00 43.14 H new ATOM 1514 N SER A 100 7.522 -3.554 7.526 1.00 31.31 N ATOM 1515 CA SER A 100 8.105 -2.371 8.146 1.00 32.14 C ATOM 1516 C SER A 100 8.349 -1.285 7.104 1.00 23.31 C ATOM 1517 O SER A 100 8.140 -0.100 7.367 1.00 62.10 O ATOM 1518 CB SER A 100 9.418 -2.730 8.845 1.00 40.51 C ATOM 1519 OG SER A 100 10.140 -1.564 9.203 1.00 1.21 O ATOM 0 H SER A 100 8.169 -4.087 6.946 1.00 31.31 H new ATOM 0 HA SER A 100 7.402 -1.991 8.887 1.00 32.14 H new ATOM 0 HB2 SER A 100 9.209 -3.321 9.737 1.00 40.51 H new ATOM 0 HB3 SER A 100 10.026 -3.351 8.187 1.00 40.51 H new ATOM 0 HG SER A 100 10.974 -1.820 9.649 1.00 1.21 H new ATOM 1525 N GLY A 101 8.790 -1.698 5.920 1.00 13.00 N ATOM 1526 CA GLY A 101 9.053 -0.748 4.855 1.00 32.02 C ATOM 1527 C GLY A 101 10.195 -1.179 3.955 1.00 62.13 C ATOM 1528 O GLY A 101 10.795 -2.233 4.161 1.00 15.31 O ATOM 0 H GLY A 101 8.970 -2.673 5.679 1.00 13.00 H new ATOM 0 HA2 GLY A 101 8.151 -0.622 4.256 1.00 32.02 H new ATOM 0 HA3 GLY A 101 9.286 0.224 5.290 1.00 32.02 H new ATOM 1532 N SER A 102 10.496 -0.354 2.957 1.00 50.31 N ATOM 1533 CA SER A 102 11.567 -0.632 2.018 1.00 71.21 C ATOM 1534 C SER A 102 11.647 0.497 1.006 1.00 63.42 C ATOM 1535 O SER A 102 10.785 0.619 0.137 1.00 24.21 O ATOM 1536 CB SER A 102 11.331 -1.967 1.305 1.00 23.50 C ATOM 1537 OG SER A 102 10.012 -2.438 1.524 1.00 75.23 O ATOM 0 H SER A 102 10.004 0.522 2.780 1.00 50.31 H new ATOM 0 HA SER A 102 12.509 -0.703 2.562 1.00 71.21 H new ATOM 0 HB2 SER A 102 11.504 -1.847 0.236 1.00 23.50 H new ATOM 0 HB3 SER A 102 12.048 -2.706 1.663 1.00 23.50 H new ATOM 0 HG SER A 102 9.887 -3.290 1.057 1.00 75.23 H new ATOM 1543 N ARG A 103 12.670 1.333 1.131 1.00 13.43 N ATOM 1544 CA ARG A 103 12.842 2.464 0.228 1.00 74.42 C ATOM 1545 C ARG A 103 13.204 1.994 -1.176 1.00 52.14 C ATOM 1546 O ARG A 103 14.208 2.421 -1.746 1.00 2.14 O ATOM 1547 CB ARG A 103 13.922 3.409 0.760 1.00 32.55 C ATOM 1548 CG ARG A 103 15.195 2.698 1.186 1.00 62.25 C ATOM 1549 CD ARG A 103 16.413 3.593 1.026 1.00 24.05 C ATOM 1550 NE ARG A 103 17.630 2.954 1.522 1.00 31.04 N ATOM 1551 CZ ARG A 103 18.859 3.348 1.198 1.00 1.13 C ATOM 1552 NH1 ARG A 103 19.039 4.378 0.381 1.00 72.31 N ATOM 1553 NH2 ARG A 103 19.911 2.710 1.693 1.00 73.50 N ATOM 0 H ARG A 103 13.392 1.250 1.847 1.00 13.43 H new ATOM 0 HA ARG A 103 11.894 3.000 0.175 1.00 74.42 H new ATOM 0 HB2 ARG A 103 14.165 4.141 -0.011 1.00 32.55 H new ATOM 0 HB3 ARG A 103 13.523 3.962 1.610 1.00 32.55 H new ATOM 0 HG2 ARG A 103 15.107 2.384 2.226 1.00 62.25 H new ATOM 0 HG3 ARG A 103 15.325 1.795 0.590 1.00 62.25 H new ATOM 0 HD2 ARG A 103 16.540 3.848 -0.026 1.00 24.05 H new ATOM 0 HD3 ARG A 103 16.249 4.527 1.563 1.00 24.05 H new ATOM 0 HE ARG A 103 17.532 2.159 2.154 1.00 31.04 H new ATOM 0 HH11 ARG A 103 18.233 4.872 -0.002 1.00 72.31 H new ATOM 0 HH12 ARG A 103 19.983 4.676 0.136 1.00 72.31 H new ATOM 0 HH21 ARG A 103 19.778 1.918 2.322 1.00 73.50 H new ATOM 0 HH22 ARG A 103 20.853 3.011 1.445 1.00 73.50 H new ATOM 1567 N THR A 104 12.377 1.115 -1.733 1.00 51.13 N ATOM 1568 CA THR A 104 12.615 0.597 -3.074 1.00 63.43 C ATOM 1569 C THR A 104 11.320 0.094 -3.705 1.00 10.52 C ATOM 1570 O THR A 104 10.537 -0.611 -3.070 1.00 43.31 O ATOM 1571 CB THR A 104 13.656 -0.522 -3.036 1.00 53.32 C ATOM 1572 OG1 THR A 104 13.996 -0.935 -4.348 1.00 61.20 O ATOM 1573 CG2 THR A 104 13.195 -1.745 -2.277 1.00 35.33 C ATOM 0 H THR A 104 11.541 0.749 -1.279 1.00 51.13 H new ATOM 0 HA THR A 104 12.997 1.412 -3.688 1.00 63.43 H new ATOM 0 HB THR A 104 14.516 -0.097 -2.519 1.00 53.32 H new ATOM 0 HG1 THR A 104 14.664 -1.650 -4.303 1.00 61.20 H new ATOM 0 HG21 THR A 104 13.982 -2.499 -2.290 1.00 35.33 H new ATOM 0 HG22 THR A 104 12.972 -1.471 -1.246 1.00 35.33 H new ATOM 0 HG23 THR A 104 12.298 -2.148 -2.747 1.00 35.33 H new ATOM 1581 N VAL A 105 11.105 0.469 -4.961 1.00 53.23 N ATOM 1582 CA VAL A 105 9.910 0.071 -5.694 1.00 31.22 C ATOM 1583 C VAL A 105 10.005 -1.375 -6.174 1.00 4.43 C ATOM 1584 O VAL A 105 8.991 -2.054 -6.337 1.00 4.43 O ATOM 1585 CB VAL A 105 9.687 0.983 -6.914 1.00 25.14 C ATOM 1586 CG1 VAL A 105 8.422 0.585 -7.653 1.00 41.23 C ATOM 1587 CG2 VAL A 105 9.632 2.444 -6.493 1.00 12.42 C ATOM 0 H VAL A 105 11.748 1.053 -5.496 1.00 53.23 H new ATOM 0 HA VAL A 105 9.070 0.164 -5.006 1.00 31.22 H new ATOM 0 HB VAL A 105 10.531 0.860 -7.593 1.00 25.14 H new ATOM 0 HG11 VAL A 105 8.281 1.241 -8.512 1.00 41.23 H new ATOM 0 HG12 VAL A 105 8.509 -0.447 -7.994 1.00 41.23 H new ATOM 0 HG13 VAL A 105 7.566 0.675 -6.984 1.00 41.23 H new ATOM 0 HG21 VAL A 105 9.474 3.070 -7.371 1.00 12.42 H new ATOM 0 HG22 VAL A 105 8.811 2.590 -5.791 1.00 12.42 H new ATOM 0 HG23 VAL A 105 10.572 2.721 -6.015 1.00 12.42 H new ATOM 1597 N GLU A 106 11.224 -1.834 -6.409 1.00 21.14 N ATOM 1598 CA GLU A 106 11.452 -3.193 -6.881 1.00 34.33 C ATOM 1599 C GLU A 106 10.949 -4.205 -5.866 1.00 74.15 C ATOM 1600 O GLU A 106 10.403 -5.253 -6.223 1.00 5.20 O ATOM 1601 CB GLU A 106 12.941 -3.412 -7.136 1.00 44.31 C ATOM 1602 CG GLU A 106 13.624 -2.212 -7.762 1.00 51.44 C ATOM 1603 CD GLU A 106 14.355 -2.553 -9.047 1.00 53.01 C ATOM 1604 OE1 GLU A 106 15.397 -3.238 -8.973 1.00 0.23 O ATOM 1605 OE2 GLU A 106 13.885 -2.135 -10.126 1.00 13.12 O ATOM 0 H GLU A 106 12.074 -1.285 -6.281 1.00 21.14 H new ATOM 0 HA GLU A 106 10.902 -3.332 -7.812 1.00 34.33 H new ATOM 0 HB2 GLU A 106 13.433 -3.651 -6.193 1.00 44.31 H new ATOM 0 HB3 GLU A 106 13.068 -4.275 -7.789 1.00 44.31 H new ATOM 0 HG2 GLU A 106 12.880 -1.442 -7.967 1.00 51.44 H new ATOM 0 HG3 GLU A 106 14.332 -1.790 -7.048 1.00 51.44 H new ATOM 1612 N ASP A 107 11.121 -3.873 -4.595 1.00 22.20 N ATOM 1613 CA ASP A 107 10.673 -4.743 -3.521 1.00 22.14 C ATOM 1614 C ASP A 107 9.162 -4.683 -3.411 1.00 30.35 C ATOM 1615 O ASP A 107 8.526 -5.625 -2.945 1.00 45.13 O ATOM 1616 CB ASP A 107 11.310 -4.339 -2.190 1.00 34.21 C ATOM 1617 CG ASP A 107 12.754 -4.789 -2.079 1.00 23.23 C ATOM 1618 OD1 ASP A 107 13.163 -5.673 -2.861 1.00 53.32 O ATOM 1619 OD2 ASP A 107 13.476 -4.258 -1.209 1.00 52.13 O ATOM 0 H ASP A 107 11.566 -3.010 -4.284 1.00 22.20 H new ATOM 0 HA ASP A 107 10.980 -5.763 -3.751 1.00 22.14 H new ATOM 0 HB2 ASP A 107 11.261 -3.256 -2.081 1.00 34.21 H new ATOM 0 HB3 ASP A 107 10.735 -4.768 -1.370 1.00 34.21 H new ATOM 1624 N LEU A 108 8.596 -3.566 -3.858 1.00 13.14 N ATOM 1625 CA LEU A 108 7.155 -3.370 -3.825 1.00 21.53 C ATOM 1626 C LEU A 108 6.473 -4.270 -4.833 1.00 44.54 C ATOM 1627 O LEU A 108 5.510 -4.967 -4.512 1.00 54.12 O ATOM 1628 CB LEU A 108 6.819 -1.912 -4.111 1.00 44.23 C ATOM 1629 CG LEU A 108 6.793 -1.019 -2.877 1.00 32.01 C ATOM 1630 CD1 LEU A 108 6.579 0.435 -3.269 1.00 11.13 C ATOM 1631 CD2 LEU A 108 5.711 -1.484 -1.914 1.00 1.34 C ATOM 0 H LEU A 108 9.118 -2.781 -4.248 1.00 13.14 H new ATOM 0 HA LEU A 108 6.792 -3.629 -2.830 1.00 21.53 H new ATOM 0 HB2 LEU A 108 7.549 -1.515 -4.817 1.00 44.23 H new ATOM 0 HB3 LEU A 108 5.846 -1.865 -4.599 1.00 44.23 H new ATOM 0 HG LEU A 108 7.758 -1.093 -2.375 1.00 32.01 H new ATOM 0 HD11 LEU A 108 6.564 1.055 -2.373 1.00 11.13 H new ATOM 0 HD12 LEU A 108 7.390 0.759 -3.921 1.00 11.13 H new ATOM 0 HD13 LEU A 108 5.629 0.534 -3.795 1.00 11.13 H new ATOM 0 HD21 LEU A 108 5.703 -0.838 -1.036 1.00 1.34 H new ATOM 0 HD22 LEU A 108 4.740 -1.438 -2.408 1.00 1.34 H new ATOM 0 HD23 LEU A 108 5.914 -2.510 -1.607 1.00 1.34 H new ATOM 1643 N ILE A 109 6.992 -4.276 -6.049 1.00 64.31 N ATOM 1644 CA ILE A 109 6.442 -5.122 -7.087 1.00 13.12 C ATOM 1645 C ILE A 109 6.474 -6.571 -6.615 1.00 1.02 C ATOM 1646 O ILE A 109 5.448 -7.254 -6.583 1.00 62.41 O ATOM 1647 CB ILE A 109 7.239 -4.976 -8.399 1.00 55.13 C ATOM 1648 CG1 ILE A 109 7.129 -3.545 -8.927 1.00 63.20 C ATOM 1649 CG2 ILE A 109 6.751 -5.969 -9.446 1.00 5.30 C ATOM 1650 CD1 ILE A 109 8.419 -3.019 -9.519 1.00 65.14 C ATOM 0 H ILE A 109 7.788 -3.708 -6.338 1.00 64.31 H new ATOM 0 HA ILE A 109 5.414 -4.818 -7.284 1.00 13.12 H new ATOM 0 HB ILE A 109 8.286 -5.194 -8.190 1.00 55.13 H new ATOM 0 HG12 ILE A 109 6.348 -3.505 -9.686 1.00 63.20 H new ATOM 0 HG13 ILE A 109 6.818 -2.889 -8.114 1.00 63.20 H new ATOM 0 HG21 ILE A 109 7.329 -5.846 -10.362 1.00 5.30 H new ATOM 0 HG22 ILE A 109 6.878 -6.985 -9.071 1.00 5.30 H new ATOM 0 HG23 ILE A 109 5.697 -5.788 -9.655 1.00 5.30 H new ATOM 0 HD11 ILE A 109 8.268 -1.999 -9.873 1.00 65.14 H new ATOM 0 HD12 ILE A 109 9.199 -3.026 -8.757 1.00 65.14 H new ATOM 0 HD13 ILE A 109 8.721 -3.652 -10.353 1.00 65.14 H new ATOM 1662 N LYS A 110 7.657 -7.016 -6.198 1.00 11.50 N ATOM 1663 CA LYS A 110 7.823 -8.363 -5.685 1.00 41.30 C ATOM 1664 C LYS A 110 7.028 -8.527 -4.401 1.00 4.32 C ATOM 1665 O LYS A 110 6.737 -9.643 -3.973 1.00 2.43 O ATOM 1666 CB LYS A 110 9.300 -8.654 -5.426 1.00 41.03 C ATOM 1667 CG LYS A 110 9.959 -9.473 -6.523 1.00 60.41 C ATOM 1668 CD LYS A 110 10.091 -10.934 -6.127 1.00 43.44 C ATOM 1669 CE LYS A 110 11.065 -11.671 -7.033 1.00 44.51 C ATOM 1670 NZ LYS A 110 10.378 -12.290 -8.200 1.00 34.32 N ATOM 0 H LYS A 110 8.512 -6.459 -6.207 1.00 11.50 H new ATOM 0 HA LYS A 110 7.453 -9.070 -6.427 1.00 41.30 H new ATOM 0 HB2 LYS A 110 9.834 -7.710 -5.318 1.00 41.03 H new ATOM 0 HB3 LYS A 110 9.397 -9.185 -4.479 1.00 41.03 H new ATOM 0 HG2 LYS A 110 9.372 -9.395 -7.438 1.00 60.41 H new ATOM 0 HG3 LYS A 110 10.946 -9.064 -6.741 1.00 60.41 H new ATOM 0 HD2 LYS A 110 10.431 -11.003 -5.094 1.00 43.44 H new ATOM 0 HD3 LYS A 110 9.114 -11.415 -6.174 1.00 43.44 H new ATOM 0 HE2 LYS A 110 11.828 -10.977 -7.387 1.00 44.51 H new ATOM 0 HE3 LYS A 110 11.578 -12.444 -6.462 1.00 44.51 H new ATOM 0 HZ1 LYS A 110 11.076 -12.783 -8.793 1.00 34.32 H new ATOM 0 HZ2 LYS A 110 9.668 -12.971 -7.864 1.00 34.32 H new ATOM 0 HZ3 LYS A 110 9.910 -11.549 -8.760 1.00 34.32 H new ATOM 1684 N PHE A 111 6.678 -7.399 -3.789 1.00 33.42 N ATOM 1685 CA PHE A 111 5.921 -7.409 -2.559 1.00 12.40 C ATOM 1686 C PHE A 111 4.544 -7.992 -2.791 1.00 40.41 C ATOM 1687 O PHE A 111 4.292 -9.147 -2.477 1.00 21.53 O ATOM 1688 CB PHE A 111 5.800 -5.998 -2.012 1.00 64.35 C ATOM 1689 CG PHE A 111 5.542 -5.929 -0.536 1.00 33.13 C ATOM 1690 CD1 PHE A 111 4.407 -6.509 0.005 1.00 12.22 C ATOM 1691 CD2 PHE A 111 6.425 -5.275 0.308 1.00 43.23 C ATOM 1692 CE1 PHE A 111 4.157 -6.441 1.361 1.00 2.32 C ATOM 1693 CE2 PHE A 111 6.179 -5.201 1.665 1.00 33.12 C ATOM 1694 CZ PHE A 111 5.043 -5.785 2.192 1.00 24.21 C ATOM 0 H PHE A 111 6.912 -6.468 -4.133 1.00 33.42 H new ATOM 0 HA PHE A 111 6.446 -8.030 -1.833 1.00 12.40 H new ATOM 0 HB2 PHE A 111 6.718 -5.454 -2.234 1.00 64.35 H new ATOM 0 HB3 PHE A 111 4.992 -5.486 -2.535 1.00 64.35 H new ATOM 0 HD1 PHE A 111 3.709 -7.021 -0.641 1.00 12.22 H new ATOM 0 HD2 PHE A 111 7.315 -4.818 -0.099 1.00 43.23 H new ATOM 0 HE1 PHE A 111 3.270 -6.900 1.771 1.00 2.32 H new ATOM 0 HE2 PHE A 111 6.874 -4.687 2.313 1.00 33.12 H new ATOM 0 HZ PHE A 111 4.848 -5.728 3.253 1.00 24.21 H new ATOM 1704 N ILE A 112 3.663 -7.191 -3.374 1.00 71.40 N ATOM 1705 CA ILE A 112 2.315 -7.643 -3.670 1.00 72.10 C ATOM 1706 C ILE A 112 2.346 -8.743 -4.721 1.00 63.21 C ATOM 1707 O ILE A 112 1.322 -9.340 -5.039 1.00 61.34 O ATOM 1708 CB ILE A 112 1.426 -6.488 -4.178 1.00 62.25 C ATOM 1709 CG1 ILE A 112 1.756 -5.186 -3.441 1.00 44.50 C ATOM 1710 CG2 ILE A 112 -0.044 -6.838 -4.006 1.00 72.03 C ATOM 1711 CD1 ILE A 112 2.636 -4.247 -4.239 1.00 24.14 C ATOM 0 H ILE A 112 3.858 -6.229 -3.650 1.00 71.40 H new ATOM 0 HA ILE A 112 1.891 -8.026 -2.742 1.00 72.10 H new ATOM 0 HB ILE A 112 1.627 -6.340 -5.239 1.00 62.25 H new ATOM 0 HG12 ILE A 112 0.827 -4.675 -3.189 1.00 44.50 H new ATOM 0 HG13 ILE A 112 2.253 -5.426 -2.501 1.00 44.50 H new ATOM 0 HG21 ILE A 112 -0.659 -6.014 -4.368 1.00 72.03 H new ATOM 0 HG22 ILE A 112 -0.272 -7.739 -4.575 1.00 72.03 H new ATOM 0 HG23 ILE A 112 -0.256 -7.012 -2.951 1.00 72.03 H new ATOM 0 HD11 ILE A 112 2.829 -3.346 -3.656 1.00 24.14 H new ATOM 0 HD12 ILE A 112 3.581 -4.740 -4.468 1.00 24.14 H new ATOM 0 HD13 ILE A 112 2.133 -3.978 -5.167 1.00 24.14 H new ATOM 1723 N ALA A 113 3.534 -9.013 -5.250 1.00 65.34 N ATOM 1724 CA ALA A 113 3.689 -10.053 -6.274 1.00 25.50 C ATOM 1725 C ALA A 113 4.126 -11.376 -5.663 1.00 50.32 C ATOM 1726 O ALA A 113 3.947 -12.438 -6.259 1.00 62.32 O ATOM 1727 CB ALA A 113 4.673 -9.620 -7.349 1.00 31.51 C ATOM 0 H ALA A 113 4.398 -8.535 -4.994 1.00 65.34 H new ATOM 0 HA ALA A 113 2.713 -10.199 -6.736 1.00 25.50 H new ATOM 0 HB1 ALA A 113 4.768 -10.410 -8.094 1.00 31.51 H new ATOM 0 HB2 ALA A 113 4.311 -8.710 -7.828 1.00 31.51 H new ATOM 0 HB3 ALA A 113 5.646 -9.429 -6.896 1.00 31.51 H new ATOM 1733 N GLU A 114 4.670 -11.307 -4.459 1.00 22.41 N ATOM 1734 CA GLU A 114 5.103 -12.501 -3.742 1.00 51.43 C ATOM 1735 C GLU A 114 4.226 -12.662 -2.517 1.00 52.15 C ATOM 1736 O GLU A 114 4.006 -13.764 -2.012 1.00 3.41 O ATOM 1737 CB GLU A 114 6.573 -12.389 -3.334 1.00 23.01 C ATOM 1738 CG GLU A 114 7.529 -12.314 -4.514 1.00 60.52 C ATOM 1739 CD GLU A 114 8.535 -13.449 -4.525 1.00 52.03 C ATOM 1740 OE1 GLU A 114 8.106 -14.622 -4.501 1.00 21.42 O ATOM 1741 OE2 GLU A 114 9.750 -13.164 -4.557 1.00 33.21 O ATOM 0 H GLU A 114 4.824 -10.434 -3.954 1.00 22.41 H new ATOM 0 HA GLU A 114 5.008 -13.373 -4.390 1.00 51.43 H new ATOM 0 HB2 GLU A 114 6.703 -11.501 -2.715 1.00 23.01 H new ATOM 0 HB3 GLU A 114 6.837 -13.248 -2.718 1.00 23.01 H new ATOM 0 HG2 GLU A 114 6.957 -12.332 -5.442 1.00 60.52 H new ATOM 0 HG3 GLU A 114 8.061 -11.363 -4.486 1.00 60.52 H new ATOM 1748 N ASN A 115 3.718 -11.526 -2.068 1.00 45.32 N ATOM 1749 CA ASN A 115 2.846 -11.439 -0.934 1.00 63.32 C ATOM 1750 C ASN A 115 1.405 -11.462 -1.405 1.00 23.34 C ATOM 1751 O ASN A 115 0.517 -11.962 -0.715 1.00 24.10 O ATOM 1752 CB ASN A 115 3.150 -10.134 -0.219 1.00 63.53 C ATOM 1753 CG ASN A 115 4.464 -10.202 0.520 1.00 20.43 C ATOM 1754 OD1 ASN A 115 4.564 -10.776 1.603 1.00 74.23 O ATOM 1755 ND2 ASN A 115 5.484 -9.623 -0.085 1.00 70.42 N ATOM 0 H ASN A 115 3.912 -10.623 -2.501 1.00 45.32 H new ATOM 0 HA ASN A 115 2.998 -12.279 -0.257 1.00 63.32 H new ATOM 0 HB2 ASN A 115 3.180 -9.320 -0.943 1.00 63.53 H new ATOM 0 HB3 ASN A 115 2.348 -9.907 0.483 1.00 63.53 H new ATOM 0 HD21 ASN A 115 6.408 -9.639 0.346 1.00 70.42 H new ATOM 0 HD22 ASN A 115 5.348 -9.160 -0.983 1.00 70.42 H new ATOM 1762 N GLY A 116 1.184 -10.915 -2.598 1.00 52.13 N ATOM 1763 CA GLY A 116 -0.139 -10.882 -3.150 1.00 0.40 C ATOM 1764 C GLY A 116 -0.559 -12.213 -3.733 1.00 4.13 C ATOM 1765 O GLY A 116 0.282 -13.039 -4.085 1.00 12.25 O ATOM 0 H GLY A 116 1.906 -10.496 -3.185 1.00 52.13 H new ATOM 0 HA2 GLY A 116 -0.846 -10.591 -2.373 1.00 0.40 H new ATOM 0 HA3 GLY A 116 -0.186 -10.118 -3.926 1.00 0.40 H new ATOM 1769 N LYS A 117 -1.864 -12.411 -3.859 1.00 30.14 N ATOM 1770 CA LYS A 117 -2.397 -13.638 -4.433 1.00 65.20 C ATOM 1771 C LYS A 117 -2.486 -13.469 -5.931 1.00 20.51 C ATOM 1772 O LYS A 117 -2.308 -14.413 -6.700 1.00 72.22 O ATOM 1773 CB LYS A 117 -3.783 -13.948 -3.872 1.00 72.12 C ATOM 1774 CG LYS A 117 -3.802 -14.137 -2.364 1.00 74.02 C ATOM 1775 CD LYS A 117 -5.222 -14.259 -1.835 1.00 64.42 C ATOM 1776 CE LYS A 117 -5.653 -15.713 -1.728 1.00 24.11 C ATOM 1777 NZ LYS A 117 -6.314 -16.190 -2.974 1.00 51.02 N ATOM 0 H LYS A 117 -2.573 -11.737 -3.571 1.00 30.14 H new ATOM 0 HA LYS A 117 -1.735 -14.466 -4.179 1.00 65.20 H new ATOM 0 HB2 LYS A 117 -4.462 -13.138 -4.137 1.00 72.12 H new ATOM 0 HB3 LYS A 117 -4.164 -14.852 -4.348 1.00 72.12 H new ATOM 0 HG2 LYS A 117 -3.237 -15.031 -2.101 1.00 74.02 H new ATOM 0 HG3 LYS A 117 -3.305 -13.294 -1.884 1.00 74.02 H new ATOM 0 HD2 LYS A 117 -5.289 -13.786 -0.855 1.00 64.42 H new ATOM 0 HD3 LYS A 117 -5.905 -13.724 -2.495 1.00 64.42 H new ATOM 0 HE2 LYS A 117 -4.783 -16.335 -1.518 1.00 24.11 H new ATOM 0 HE3 LYS A 117 -6.337 -15.828 -0.887 1.00 24.11 H new ATOM 0 HZ1 LYS A 117 -6.813 -17.082 -2.782 1.00 51.02 H new ATOM 0 HZ2 LYS A 117 -6.995 -15.475 -3.301 1.00 51.02 H new ATOM 0 HZ3 LYS A 117 -5.596 -16.347 -3.710 1.00 51.02 H new ATOM 1791 N TYR A 118 -2.752 -12.234 -6.327 1.00 41.14 N ATOM 1792 CA TYR A 118 -2.855 -11.880 -7.721 1.00 54.21 C ATOM 1793 C TYR A 118 -1.478 -11.949 -8.381 1.00 31.22 C ATOM 1794 O TYR A 118 -1.367 -12.097 -9.598 1.00 64.22 O ATOM 1795 CB TYR A 118 -3.434 -10.471 -7.842 1.00 73.14 C ATOM 1796 CG TYR A 118 -4.865 -10.438 -8.330 1.00 21.42 C ATOM 1797 CD1 TYR A 118 -5.159 -10.371 -9.686 1.00 31.41 C ATOM 1798 CD2 TYR A 118 -5.922 -10.470 -7.430 1.00 22.41 C ATOM 1799 CE1 TYR A 118 -6.468 -10.338 -10.130 1.00 61.32 C ATOM 1800 CE2 TYR A 118 -7.232 -10.438 -7.864 1.00 2.21 C ATOM 1801 CZ TYR A 118 -7.500 -10.371 -9.215 1.00 61.51 C ATOM 1802 OH TYR A 118 -8.804 -10.338 -9.653 1.00 31.31 O ATOM 0 H TYR A 118 -2.901 -11.454 -5.686 1.00 41.14 H new ATOM 0 HA TYR A 118 -3.516 -12.583 -8.228 1.00 54.21 H new ATOM 0 HB2 TYR A 118 -3.380 -9.982 -6.869 1.00 73.14 H new ATOM 0 HB3 TYR A 118 -2.814 -9.891 -8.525 1.00 73.14 H new ATOM 0 HD1 TYR A 118 -4.353 -10.344 -10.404 1.00 31.41 H new ATOM 0 HD2 TYR A 118 -5.715 -10.521 -6.371 1.00 22.41 H new ATOM 0 HE1 TYR A 118 -6.681 -10.287 -11.187 1.00 61.32 H new ATOM 0 HE2 TYR A 118 -8.042 -10.465 -7.150 1.00 2.21 H new ATOM 0 HH TYR A 118 -9.409 -10.370 -8.883 1.00 31.31 H new ATOM 1812 N LYS A 119 -0.429 -11.845 -7.561 1.00 14.21 N ATOM 1813 CA LYS A 119 0.942 -11.899 -8.052 1.00 21.52 C ATOM 1814 C LYS A 119 1.206 -10.810 -9.086 1.00 1.24 C ATOM 1815 O LYS A 119 1.856 -11.051 -10.103 1.00 32.33 O ATOM 1816 CB LYS A 119 1.240 -13.270 -8.654 1.00 42.53 C ATOM 1817 CG LYS A 119 0.644 -14.428 -7.871 1.00 41.10 C ATOM 1818 CD LYS A 119 1.269 -14.542 -6.491 1.00 73.22 C ATOM 1819 CE LYS A 119 0.506 -15.522 -5.614 1.00 43.03 C ATOM 1820 NZ LYS A 119 0.607 -16.917 -6.122 1.00 25.12 N ATOM 0 H LYS A 119 -0.508 -11.723 -6.551 1.00 14.21 H new ATOM 0 HA LYS A 119 1.603 -11.730 -7.202 1.00 21.52 H new ATOM 0 HB2 LYS A 119 0.858 -13.299 -9.674 1.00 42.53 H new ATOM 0 HB3 LYS A 119 2.320 -13.403 -8.714 1.00 42.53 H new ATOM 0 HG2 LYS A 119 -0.433 -14.288 -7.774 1.00 41.10 H new ATOM 0 HG3 LYS A 119 0.797 -15.357 -8.420 1.00 41.10 H new ATOM 0 HD2 LYS A 119 2.305 -14.867 -6.585 1.00 73.22 H new ATOM 0 HD3 LYS A 119 1.284 -13.562 -6.015 1.00 73.22 H new ATOM 0 HE2 LYS A 119 0.895 -15.477 -4.597 1.00 43.03 H new ATOM 0 HE3 LYS A 119 -0.542 -15.228 -5.568 1.00 43.03 H new ATOM 0 HZ1 LYS A 119 0.073 -17.554 -5.496 1.00 25.12 H new ATOM 0 HZ2 LYS A 119 0.213 -16.966 -7.083 1.00 25.12 H new ATOM 0 HZ3 LYS A 119 1.605 -17.208 -6.142 1.00 25.12 H new ATOM 1834 N ALA A 120 0.706 -9.610 -8.817 1.00 74.40 N ATOM 1835 CA ALA A 120 0.900 -8.488 -9.725 1.00 54.30 C ATOM 1836 C ALA A 120 2.364 -8.063 -9.753 1.00 30.52 C ATOM 1837 O ALA A 120 2.849 -7.412 -8.827 1.00 33.35 O ATOM 1838 CB ALA A 120 0.015 -7.320 -9.320 1.00 64.55 C ATOM 0 H ALA A 120 0.165 -9.390 -7.981 1.00 74.40 H new ATOM 0 HA ALA A 120 0.618 -8.806 -10.729 1.00 54.30 H new ATOM 0 HB1 ALA A 120 0.171 -6.489 -10.008 1.00 64.55 H new ATOM 0 HB2 ALA A 120 -1.030 -7.627 -9.353 1.00 64.55 H new ATOM 0 HB3 ALA A 120 0.269 -7.005 -8.308 1.00 64.55 H new ATOM 1844 N ALA A 121 3.062 -8.434 -10.820 1.00 10.42 N ATOM 1845 CA ALA A 121 4.471 -8.091 -10.968 1.00 22.33 C ATOM 1846 C ALA A 121 4.766 -7.571 -12.371 1.00 32.25 C ATOM 1847 O ALA A 121 5.831 -6.946 -12.557 1.00 52.14 O ATOM 1848 CB ALA A 121 5.341 -9.300 -10.658 1.00 73.22 C ATOM 1849 OXT ALA A 121 3.929 -7.793 -13.271 1.00 38.03 O ATOM 0 H ALA A 121 2.675 -8.972 -11.595 1.00 10.42 H new ATOM 0 HA ALA A 121 4.703 -7.296 -10.259 1.00 22.33 H new ATOM 0 HB1 ALA A 121 6.391 -9.031 -10.772 1.00 73.22 H new ATOM 0 HB2 ALA A 121 5.159 -9.626 -9.634 1.00 73.22 H new ATOM 0 HB3 ALA A 121 5.097 -10.110 -11.346 1.00 73.22 H new