USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 851 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 TYR OH : rot -27:sc= 2.48 USER MOD Set 1.2: A 86 LYS NZ :NH3+ 158:sc= -0.0148 (180deg=-0.0273) USER MOD Set 1.3: A 88 TYR OH : rot 89:sc= -1.36! USER MOD Single : A 10 THR OG1 : rot -133:sc= -2.33! USER MOD Single : A 15 LYS NZ :NH3+ -121:sc= -0.0752 (180deg=-1.36!) USER MOD Single : A 16 ASN : amide:sc= -7.72! C(o=-7.7!,f=-7.9!) USER MOD Single : A 18 ASN : amide:sc= -0.161 X(o=-0.16,f=-0.049) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.215 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= -0.227 USER MOD Single : A 37 CYS SG : rot 99:sc= -1.8 USER MOD Single : A 39 HIS : no HD1:sc= -0.0277 X(o=-0.028,f=-0.2) USER MOD Single : A 40 CYS SG : rot 140:sc= -2.44 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -118:sc= -2.88! (180deg=-6.83!) USER MOD Single : A 47 TYR OH : rot -150:sc= -1.21! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 180:sc= 0.00925 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 162:sc= -0.0697 (180deg=-0.359) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -12.1! C(o=-12!,f=-23!) USER MOD Single : A 84 THR OG1 : rot -22:sc= 0.744 USER MOD Single : A 93 LYS NZ :NH3+ -177:sc= -0.271 (180deg=-0.292) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 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= -0.466 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= -6.75! C(o=-6.7!,f=-10!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 TYR OH : rot -152:sc= 0.0638 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N PRO A 8 -0.927 8.466 -7.859 1.00 14.24 N ATOM 84 CA PRO A 8 -1.489 7.255 -8.466 1.00 15.51 C ATOM 85 C PRO A 8 -1.967 6.253 -7.425 1.00 72.52 C ATOM 86 O PRO A 8 -3.108 5.791 -7.464 1.00 41.40 O ATOM 87 CB PRO A 8 -0.313 6.662 -9.244 1.00 3.35 C ATOM 88 CG PRO A 8 0.903 7.197 -8.574 1.00 63.20 C ATOM 89 CD PRO A 8 0.532 8.556 -8.049 1.00 34.42 C ATOM 0 HA PRO A 8 -2.361 7.484 -9.079 1.00 15.51 H new ATOM 0 HB2 PRO A 8 -0.331 5.572 -9.217 1.00 3.35 H new ATOM 0 HB3 PRO A 8 -0.346 6.955 -10.293 1.00 3.35 H new ATOM 0 HG2 PRO A 8 1.221 6.541 -7.764 1.00 63.20 H new ATOM 0 HG3 PRO A 8 1.735 7.265 -9.275 1.00 63.20 H new ATOM 0 HD2 PRO A 8 1.045 8.779 -7.114 1.00 34.42 H new ATOM 0 HD3 PRO A 8 0.797 9.344 -8.754 1.00 34.42 H new ATOM 97 N VAL A 9 -1.076 5.913 -6.501 1.00 44.12 N ATOM 98 CA VAL A 9 -1.378 4.958 -5.447 1.00 62.33 C ATOM 99 C VAL A 9 -2.704 5.285 -4.764 1.00 22.23 C ATOM 100 O VAL A 9 -3.039 6.451 -4.556 1.00 54.03 O ATOM 101 CB VAL A 9 -0.226 4.909 -4.413 1.00 64.01 C ATOM 102 CG1 VAL A 9 -0.710 5.211 -3.000 1.00 13.52 C ATOM 103 CG2 VAL A 9 0.474 3.563 -4.464 1.00 42.03 C ATOM 0 H VAL A 9 -0.129 6.291 -6.463 1.00 44.12 H new ATOM 0 HA VAL A 9 -1.476 3.973 -5.905 1.00 62.33 H new ATOM 0 HB VAL A 9 0.487 5.689 -4.681 1.00 64.01 H new ATOM 0 HG11 VAL A 9 0.132 5.165 -2.309 1.00 13.52 H new ATOM 0 HG12 VAL A 9 -1.149 6.208 -2.971 1.00 13.52 H new ATOM 0 HG13 VAL A 9 -1.460 4.476 -2.707 1.00 13.52 H new ATOM 0 HG21 VAL A 9 1.281 3.545 -3.732 1.00 42.03 H new ATOM 0 HG22 VAL A 9 -0.241 2.772 -4.236 1.00 42.03 H new ATOM 0 HG23 VAL A 9 0.885 3.404 -5.461 1.00 42.03 H new ATOM 113 N THR A 10 -3.455 4.243 -4.430 1.00 5.01 N ATOM 114 CA THR A 10 -4.748 4.409 -3.783 1.00 75.12 C ATOM 115 C THR A 10 -4.590 4.813 -2.322 1.00 31.32 C ATOM 116 O THR A 10 -4.627 3.969 -1.425 1.00 72.42 O ATOM 117 CB THR A 10 -5.559 3.116 -3.881 1.00 63.14 C ATOM 118 OG1 THR A 10 -5.727 2.734 -5.234 1.00 31.52 O ATOM 119 CG2 THR A 10 -6.936 3.224 -3.261 1.00 13.33 C ATOM 0 H THR A 10 -3.189 3.273 -4.597 1.00 5.01 H new ATOM 0 HA THR A 10 -5.279 5.208 -4.301 1.00 75.12 H new ATOM 0 HB THR A 10 -4.987 2.372 -3.327 1.00 63.14 H new ATOM 0 HG1 THR A 10 -6.665 2.499 -5.394 1.00 31.52 H new ATOM 0 HG21 THR A 10 -7.458 2.273 -3.365 1.00 13.33 H new ATOM 0 HG22 THR A 10 -6.841 3.472 -2.204 1.00 13.33 H new ATOM 0 HG23 THR A 10 -7.503 4.006 -3.767 1.00 13.33 H new ATOM 127 N VAL A 11 -4.428 6.110 -2.085 1.00 71.41 N ATOM 128 CA VAL A 11 -4.285 6.619 -0.730 1.00 3.10 C ATOM 129 C VAL A 11 -5.611 6.504 0.008 1.00 13.32 C ATOM 130 O VAL A 11 -6.430 7.423 -0.018 1.00 52.32 O ATOM 131 CB VAL A 11 -3.824 8.088 -0.718 1.00 61.10 C ATOM 132 CG1 VAL A 11 -3.550 8.553 0.704 1.00 2.44 C ATOM 133 CG2 VAL A 11 -2.593 8.269 -1.593 1.00 12.43 C ATOM 0 H VAL A 11 -4.393 6.824 -2.812 1.00 71.41 H new ATOM 0 HA VAL A 11 -3.524 6.019 -0.232 1.00 3.10 H new ATOM 0 HB VAL A 11 -4.626 8.703 -1.127 1.00 61.10 H new ATOM 0 HG11 VAL A 11 -3.225 9.593 0.690 1.00 2.44 H new ATOM 0 HG12 VAL A 11 -4.460 8.464 1.297 1.00 2.44 H new ATOM 0 HG13 VAL A 11 -2.768 7.935 1.145 1.00 2.44 H new ATOM 0 HG21 VAL A 11 -2.282 9.313 -1.572 1.00 12.43 H new ATOM 0 HG22 VAL A 11 -1.784 7.642 -1.218 1.00 12.43 H new ATOM 0 HG23 VAL A 11 -2.829 7.981 -2.617 1.00 12.43 H new ATOM 143 N VAL A 12 -5.822 5.365 0.654 1.00 12.21 N ATOM 144 CA VAL A 12 -7.056 5.123 1.385 1.00 51.53 C ATOM 145 C VAL A 12 -6.877 5.411 2.864 1.00 64.22 C ATOM 146 O VAL A 12 -6.085 4.758 3.543 1.00 52.11 O ATOM 147 CB VAL A 12 -7.535 3.670 1.210 1.00 72.12 C ATOM 148 CG1 VAL A 12 -8.940 3.508 1.761 1.00 64.02 C ATOM 149 CG2 VAL A 12 -7.480 3.257 -0.254 1.00 65.23 C ATOM 0 H VAL A 12 -5.154 4.595 0.686 1.00 12.21 H new ATOM 0 HA VAL A 12 -7.808 5.797 0.974 1.00 51.53 H new ATOM 0 HB VAL A 12 -6.867 3.017 1.771 1.00 72.12 H new ATOM 0 HG11 VAL A 12 -9.265 2.476 1.630 1.00 64.02 H new ATOM 0 HG12 VAL A 12 -8.946 3.759 2.822 1.00 64.02 H new ATOM 0 HG13 VAL A 12 -9.619 4.173 1.227 1.00 64.02 H new ATOM 0 HG21 VAL A 12 -7.823 2.227 -0.355 1.00 65.23 H new ATOM 0 HG22 VAL A 12 -8.123 3.912 -0.841 1.00 65.23 H new ATOM 0 HG23 VAL A 12 -6.455 3.335 -0.616 1.00 65.23 H new ATOM 159 N VAL A 13 -7.621 6.388 3.362 1.00 73.01 N ATOM 160 CA VAL A 13 -7.543 6.751 4.765 1.00 12.41 C ATOM 161 C VAL A 13 -8.180 5.692 5.620 1.00 65.31 C ATOM 162 O VAL A 13 -8.902 4.824 5.128 1.00 22.01 O ATOM 163 CB VAL A 13 -8.230 8.094 5.044 1.00 70.44 C ATOM 164 CG1 VAL A 13 -9.695 8.054 4.649 1.00 61.55 C ATOM 165 CG2 VAL A 13 -8.076 8.517 6.495 1.00 24.13 C ATOM 0 H VAL A 13 -8.282 6.940 2.816 1.00 73.01 H new ATOM 0 HA VAL A 13 -6.485 6.842 5.012 1.00 12.41 H new ATOM 0 HB VAL A 13 -7.731 8.842 4.428 1.00 70.44 H new ATOM 0 HG11 VAL A 13 -10.155 9.020 4.859 1.00 61.55 H new ATOM 0 HG12 VAL A 13 -9.779 7.835 3.584 1.00 61.55 H new ATOM 0 HG13 VAL A 13 -10.205 7.278 5.220 1.00 61.55 H new ATOM 0 HG21 VAL A 13 -8.577 9.473 6.650 1.00 24.13 H new ATOM 0 HG22 VAL A 13 -8.523 7.763 7.143 1.00 24.13 H new ATOM 0 HG23 VAL A 13 -7.017 8.619 6.734 1.00 24.13 H new ATOM 175 N ALA A 14 -7.907 5.761 6.903 1.00 50.31 N ATOM 176 CA ALA A 14 -8.453 4.799 7.829 1.00 20.23 C ATOM 177 C ALA A 14 -9.975 4.732 7.727 1.00 61.22 C ATOM 178 O ALA A 14 -10.592 3.746 8.130 1.00 75.33 O ATOM 179 CB ALA A 14 -8.019 5.120 9.250 1.00 3.45 C ATOM 0 H ALA A 14 -7.311 6.472 7.327 1.00 50.31 H new ATOM 0 HA ALA A 14 -8.061 3.817 7.563 1.00 20.23 H new ATOM 0 HB1 ALA A 14 -8.441 4.384 9.934 1.00 3.45 H new ATOM 0 HB2 ALA A 14 -6.931 5.093 9.313 1.00 3.45 H new ATOM 0 HB3 ALA A 14 -8.374 6.114 9.523 1.00 3.45 H new ATOM 185 N LYS A 15 -10.571 5.791 7.191 1.00 73.33 N ATOM 186 CA LYS A 15 -12.016 5.865 7.037 1.00 2.31 C ATOM 187 C LYS A 15 -12.513 4.921 5.935 1.00 0.43 C ATOM 188 O LYS A 15 -13.648 4.446 5.989 1.00 73.50 O ATOM 189 CB LYS A 15 -12.432 7.321 6.763 1.00 53.11 C ATOM 190 CG LYS A 15 -13.014 7.576 5.381 1.00 42.31 C ATOM 191 CD LYS A 15 -13.609 8.971 5.277 1.00 3.33 C ATOM 192 CE LYS A 15 -12.529 10.025 5.097 1.00 2.15 C ATOM 193 NZ LYS A 15 -12.004 10.511 6.402 1.00 24.30 N ATOM 0 H LYS A 15 -10.071 6.614 6.855 1.00 73.33 H new ATOM 0 HA LYS A 15 -12.484 5.537 7.965 1.00 2.31 H new ATOM 0 HB2 LYS A 15 -13.167 7.619 7.511 1.00 53.11 H new ATOM 0 HB3 LYS A 15 -11.561 7.963 6.898 1.00 53.11 H new ATOM 0 HG2 LYS A 15 -12.235 7.454 4.629 1.00 42.31 H new ATOM 0 HG3 LYS A 15 -13.783 6.834 5.166 1.00 42.31 H new ATOM 0 HD2 LYS A 15 -14.301 9.011 4.436 1.00 3.33 H new ATOM 0 HD3 LYS A 15 -14.186 9.190 6.176 1.00 3.33 H new ATOM 0 HE2 LYS A 15 -11.711 9.609 4.509 1.00 2.15 H new ATOM 0 HE3 LYS A 15 -12.933 10.866 4.532 1.00 2.15 H new ATOM 0 HZ1 LYS A 15 -12.152 11.538 6.475 1.00 24.30 H new ATOM 0 HZ2 LYS A 15 -12.505 10.033 7.178 1.00 24.30 H new ATOM 0 HZ3 LYS A 15 -10.987 10.303 6.466 1.00 24.30 H new ATOM 207 N ASN A 16 -11.670 4.648 4.936 1.00 62.45 N ATOM 208 CA ASN A 16 -12.064 3.756 3.841 1.00 24.10 C ATOM 209 C ASN A 16 -11.120 2.567 3.695 1.00 13.24 C ATOM 210 O ASN A 16 -11.386 1.662 2.909 1.00 70.35 O ATOM 211 CB ASN A 16 -12.136 4.491 2.498 1.00 75.23 C ATOM 212 CG ASN A 16 -12.067 5.988 2.617 1.00 52.33 C ATOM 213 OD1 ASN A 16 -13.069 6.656 2.871 1.00 74.31 O ATOM 214 ND2 ASN A 16 -10.882 6.517 2.407 1.00 72.22 N ATOM 0 H ASN A 16 -10.725 5.024 4.862 1.00 62.45 H new ATOM 0 HA ASN A 16 -13.056 3.392 4.107 1.00 24.10 H new ATOM 0 HB2 ASN A 16 -11.318 4.149 1.864 1.00 75.23 H new ATOM 0 HB3 ASN A 16 -13.064 4.219 1.996 1.00 75.23 H new ATOM 0 HD21 ASN A 16 -10.760 7.529 2.451 1.00 72.22 H new ATOM 0 HD22 ASN A 16 -10.084 5.916 2.200 1.00 72.22 H new ATOM 221 N TYR A 17 -10.017 2.567 4.427 1.00 73.13 N ATOM 222 CA TYR A 17 -9.055 1.486 4.345 1.00 31.51 C ATOM 223 C TYR A 17 -9.695 0.113 4.585 1.00 30.21 C ATOM 224 O TYR A 17 -9.105 -0.914 4.251 1.00 22.14 O ATOM 225 CB TYR A 17 -7.934 1.727 5.346 1.00 10.24 C ATOM 226 CG TYR A 17 -7.613 0.512 6.185 1.00 54.51 C ATOM 227 CD1 TYR A 17 -6.814 -0.503 5.685 1.00 41.43 C ATOM 228 CD2 TYR A 17 -8.143 0.365 7.459 1.00 60.52 C ATOM 229 CE1 TYR A 17 -6.545 -1.630 6.430 1.00 53.20 C ATOM 230 CE2 TYR A 17 -7.883 -0.761 8.212 1.00 61.12 C ATOM 231 CZ TYR A 17 -7.084 -1.757 7.694 1.00 1.23 C ATOM 232 OH TYR A 17 -6.827 -2.882 8.442 1.00 64.43 O ATOM 0 H TYR A 17 -9.768 3.306 5.085 1.00 73.13 H new ATOM 0 HA TYR A 17 -8.654 1.476 3.332 1.00 31.51 H new ATOM 0 HB2 TYR A 17 -7.037 2.037 4.810 1.00 10.24 H new ATOM 0 HB3 TYR A 17 -8.213 2.551 6.003 1.00 10.24 H new ATOM 0 HD1 TYR A 17 -6.395 -0.409 4.694 1.00 41.43 H new ATOM 0 HD2 TYR A 17 -8.769 1.145 7.867 1.00 60.52 H new ATOM 0 HE1 TYR A 17 -5.916 -2.410 6.027 1.00 53.20 H new ATOM 0 HE2 TYR A 17 -8.303 -0.861 9.202 1.00 61.12 H new ATOM 0 HH TYR A 17 -6.642 -3.637 7.845 1.00 64.43 H new ATOM 242 N ASN A 18 -10.897 0.086 5.145 1.00 10.22 N ATOM 243 CA ASN A 18 -11.581 -1.173 5.392 1.00 34.50 C ATOM 244 C ASN A 18 -12.562 -1.428 4.264 1.00 51.55 C ATOM 245 O ASN A 18 -13.246 -2.450 4.219 1.00 73.34 O ATOM 246 CB ASN A 18 -12.309 -1.127 6.737 1.00 33.25 C ATOM 247 CG ASN A 18 -13.479 -0.161 6.736 1.00 43.31 C ATOM 248 OD1 ASN A 18 -13.321 1.025 7.027 1.00 72.43 O ATOM 249 ND2 ASN A 18 -14.663 -0.665 6.408 1.00 21.11 N ATOM 0 H ASN A 18 -11.414 0.916 5.435 1.00 10.22 H new ATOM 0 HA ASN A 18 -10.854 -1.984 5.431 1.00 34.50 H new ATOM 0 HB2 ASN A 18 -12.668 -2.126 6.986 1.00 33.25 H new ATOM 0 HB3 ASN A 18 -11.605 -0.838 7.517 1.00 33.25 H new ATOM 0 HD21 ASN A 18 -15.486 -0.063 6.390 1.00 21.11 H new ATOM 0 HD22 ASN A 18 -14.749 -1.654 6.174 1.00 21.11 H new ATOM 256 N GLU A 19 -12.630 -0.452 3.372 1.00 74.43 N ATOM 257 CA GLU A 19 -13.518 -0.481 2.245 1.00 71.35 C ATOM 258 C GLU A 19 -12.749 -0.572 0.925 1.00 43.22 C ATOM 259 O GLU A 19 -13.291 -1.011 -0.089 1.00 73.12 O ATOM 260 CB GLU A 19 -14.334 0.800 2.293 1.00 22.30 C ATOM 261 CG GLU A 19 -15.822 0.572 2.193 1.00 32.11 C ATOM 262 CD GLU A 19 -16.408 1.062 0.883 1.00 63.10 C ATOM 263 OE1 GLU A 19 -16.124 2.216 0.500 1.00 3.41 O ATOM 264 OE2 GLU A 19 -17.152 0.292 0.241 1.00 13.41 O ATOM 0 H GLU A 19 -12.057 0.390 3.421 1.00 74.43 H new ATOM 0 HA GLU A 19 -14.158 -1.362 2.295 1.00 71.35 H new ATOM 0 HB2 GLU A 19 -14.117 1.325 3.223 1.00 22.30 H new ATOM 0 HB3 GLU A 19 -14.019 1.452 1.478 1.00 22.30 H new ATOM 0 HG2 GLU A 19 -16.029 -0.493 2.302 1.00 32.11 H new ATOM 0 HG3 GLU A 19 -16.319 1.080 3.020 1.00 32.11 H new ATOM 271 N ILE A 20 -11.494 -0.127 0.940 1.00 42.00 N ATOM 272 CA ILE A 20 -10.665 -0.131 -0.262 1.00 52.51 C ATOM 273 C ILE A 20 -9.434 -1.018 -0.118 1.00 35.23 C ATOM 274 O ILE A 20 -9.100 -1.783 -1.023 1.00 61.03 O ATOM 275 CB ILE A 20 -10.173 1.286 -0.603 1.00 24.15 C ATOM 276 CG1 ILE A 20 -11.223 2.343 -0.240 1.00 54.14 C ATOM 277 CG2 ILE A 20 -9.800 1.369 -2.074 1.00 31.52 C ATOM 278 CD1 ILE A 20 -12.424 2.356 -1.158 1.00 65.13 C ATOM 0 H ILE A 20 -11.030 0.240 1.771 1.00 42.00 H new ATOM 0 HA ILE A 20 -11.303 -0.521 -1.055 1.00 52.51 H new ATOM 0 HB ILE A 20 -9.284 1.493 -0.007 1.00 24.15 H new ATOM 0 HG12 ILE A 20 -11.561 2.169 0.782 1.00 54.14 H new ATOM 0 HG13 ILE A 20 -10.754 3.327 -0.257 1.00 54.14 H new ATOM 0 HG21 ILE A 20 -9.453 2.376 -2.305 1.00 31.52 H new ATOM 0 HG22 ILE A 20 -9.006 0.653 -2.289 1.00 31.52 H new ATOM 0 HG23 ILE A 20 -10.673 1.137 -2.684 1.00 31.52 H new ATOM 0 HD11 ILE A 20 -13.120 3.130 -0.835 1.00 65.13 H new ATOM 0 HD12 ILE A 20 -12.100 2.562 -2.178 1.00 65.13 H new ATOM 0 HD13 ILE A 20 -12.919 1.386 -1.123 1.00 65.13 H new ATOM 290 N VAL A 21 -8.751 -0.898 1.014 1.00 13.15 N ATOM 291 CA VAL A 21 -7.547 -1.674 1.264 1.00 74.31 C ATOM 292 C VAL A 21 -7.901 -3.055 1.766 1.00 32.11 C ATOM 293 O VAL A 21 -7.130 -4.003 1.628 1.00 30.43 O ATOM 294 CB VAL A 21 -6.662 -0.980 2.315 1.00 21.11 C ATOM 295 CG1 VAL A 21 -5.492 -1.863 2.725 1.00 12.14 C ATOM 296 CG2 VAL A 21 -6.174 0.363 1.804 1.00 4.12 C ATOM 0 H VAL A 21 -9.013 -0.269 1.773 1.00 13.15 H new ATOM 0 HA VAL A 21 -7.003 -1.753 0.323 1.00 74.31 H new ATOM 0 HB VAL A 21 -7.271 -0.807 3.202 1.00 21.11 H new ATOM 0 HG11 VAL A 21 -4.887 -1.343 3.468 1.00 12.14 H new ATOM 0 HG12 VAL A 21 -5.870 -2.793 3.150 1.00 12.14 H new ATOM 0 HG13 VAL A 21 -4.880 -2.086 1.851 1.00 12.14 H new ATOM 0 HG21 VAL A 21 -5.550 0.836 2.563 1.00 4.12 H new ATOM 0 HG22 VAL A 21 -5.591 0.216 0.895 1.00 4.12 H new ATOM 0 HG23 VAL A 21 -7.030 1.003 1.587 1.00 4.12 H new ATOM 306 N LEU A 22 -9.065 -3.149 2.370 1.00 62.02 N ATOM 307 CA LEU A 22 -9.530 -4.396 2.928 1.00 15.22 C ATOM 308 C LEU A 22 -10.412 -5.157 1.943 1.00 41.35 C ATOM 309 O LEU A 22 -11.002 -6.182 2.285 1.00 65.21 O ATOM 310 CB LEU A 22 -10.273 -4.101 4.218 1.00 73.24 C ATOM 311 CG LEU A 22 -10.299 -5.253 5.220 1.00 62.35 C ATOM 312 CD1 LEU A 22 -9.552 -4.872 6.488 1.00 60.20 C ATOM 313 CD2 LEU A 22 -11.730 -5.661 5.536 1.00 13.10 C ATOM 0 H LEU A 22 -9.711 -2.368 2.487 1.00 62.02 H new ATOM 0 HA LEU A 22 -8.674 -5.038 3.137 1.00 15.22 H new ATOM 0 HB2 LEU A 22 -9.815 -3.234 4.694 1.00 73.24 H new ATOM 0 HB3 LEU A 22 -11.299 -3.826 3.975 1.00 73.24 H new ATOM 0 HG LEU A 22 -9.796 -6.110 4.772 1.00 62.35 H new ATOM 0 HD11 LEU A 22 -9.580 -5.704 7.191 1.00 60.20 H new ATOM 0 HD12 LEU A 22 -8.516 -4.639 6.244 1.00 60.20 H new ATOM 0 HD13 LEU A 22 -10.024 -3.999 6.940 1.00 60.20 H new ATOM 0 HD21 LEU A 22 -11.724 -6.483 6.252 1.00 13.10 H new ATOM 0 HD22 LEU A 22 -12.265 -4.812 5.963 1.00 13.10 H new ATOM 0 HD23 LEU A 22 -12.228 -5.980 4.620 1.00 13.10 H new ATOM 325 N ASP A 23 -10.483 -4.655 0.715 1.00 73.33 N ATOM 326 CA ASP A 23 -11.264 -5.272 -0.330 1.00 10.24 C ATOM 327 C ASP A 23 -10.911 -6.754 -0.481 1.00 65.21 C ATOM 328 O ASP A 23 -9.783 -7.161 -0.202 1.00 42.23 O ATOM 329 CB ASP A 23 -11.009 -4.505 -1.627 1.00 34.23 C ATOM 330 CG ASP A 23 -9.928 -5.125 -2.494 1.00 41.32 C ATOM 331 OD1 ASP A 23 -8.915 -5.592 -1.933 1.00 43.53 O ATOM 332 OD2 ASP A 23 -10.092 -5.139 -3.731 1.00 23.33 O ATOM 0 H ASP A 23 -9.997 -3.807 0.424 1.00 73.33 H new ATOM 0 HA ASP A 23 -12.324 -5.228 -0.078 1.00 10.24 H new ATOM 0 HB2 ASP A 23 -11.936 -4.453 -2.198 1.00 34.23 H new ATOM 0 HB3 ASP A 23 -10.726 -3.481 -1.385 1.00 34.23 H new ATOM 337 N ASP A 24 -11.878 -7.554 -0.920 1.00 43.30 N ATOM 338 CA ASP A 24 -11.656 -8.985 -1.100 1.00 4.41 C ATOM 339 C ASP A 24 -11.761 -9.387 -2.571 1.00 13.13 C ATOM 340 O ASP A 24 -11.950 -10.561 -2.888 1.00 73.32 O ATOM 341 CB ASP A 24 -12.658 -9.783 -0.263 1.00 72.31 C ATOM 342 CG ASP A 24 -14.085 -9.623 -0.753 1.00 44.42 C ATOM 343 OD1 ASP A 24 -14.684 -8.557 -0.498 1.00 4.20 O ATOM 344 OD2 ASP A 24 -14.603 -10.564 -1.389 1.00 54.41 O ATOM 0 H ASP A 24 -12.818 -7.238 -1.157 1.00 43.30 H new ATOM 0 HA ASP A 24 -10.645 -9.212 -0.763 1.00 4.41 H new ATOM 0 HB2 ASP A 24 -12.386 -10.838 -0.286 1.00 72.31 H new ATOM 0 HB3 ASP A 24 -12.596 -9.460 0.776 1.00 72.31 H new ATOM 349 N THR A 25 -11.629 -8.411 -3.465 1.00 53.34 N ATOM 350 CA THR A 25 -11.701 -8.676 -4.899 1.00 13.33 C ATOM 351 C THR A 25 -10.318 -8.563 -5.536 1.00 21.11 C ATOM 352 O THR A 25 -10.032 -9.210 -6.543 1.00 50.55 O ATOM 353 CB THR A 25 -12.679 -7.711 -5.577 1.00 15.52 C ATOM 354 OG1 THR A 25 -12.450 -7.663 -6.975 1.00 52.32 O ATOM 355 CG2 THR A 25 -12.594 -6.295 -5.051 1.00 12.41 C ATOM 0 H THR A 25 -11.472 -7.433 -3.223 1.00 53.34 H new ATOM 0 HA THR A 25 -12.065 -9.694 -5.040 1.00 13.33 H new ATOM 0 HB THR A 25 -13.670 -8.104 -5.350 1.00 15.52 H new ATOM 0 HG1 THR A 25 -13.085 -7.043 -7.389 1.00 52.32 H new ATOM 0 HG21 THR A 25 -13.314 -5.668 -5.576 1.00 12.41 H new ATOM 0 HG22 THR A 25 -12.818 -6.289 -3.984 1.00 12.41 H new ATOM 0 HG23 THR A 25 -11.589 -5.906 -5.213 1.00 12.41 H new ATOM 363 N LYS A 26 -9.462 -7.743 -4.933 1.00 64.34 N ATOM 364 CA LYS A 26 -8.103 -7.549 -5.429 1.00 52.34 C ATOM 365 C LYS A 26 -7.123 -7.445 -4.264 1.00 41.14 C ATOM 366 O LYS A 26 -7.526 -7.208 -3.126 1.00 70.12 O ATOM 367 CB LYS A 26 -8.024 -6.286 -6.291 1.00 43.41 C ATOM 368 CG LYS A 26 -9.096 -6.214 -7.367 1.00 45.11 C ATOM 369 CD LYS A 26 -10.170 -5.192 -7.021 1.00 24.03 C ATOM 370 CE LYS A 26 -10.036 -3.930 -7.859 1.00 22.42 C ATOM 371 NZ LYS A 26 -11.195 -3.746 -8.775 1.00 4.32 N ATOM 0 H LYS A 26 -9.686 -7.201 -4.098 1.00 64.34 H new ATOM 0 HA LYS A 26 -7.834 -8.410 -6.041 1.00 52.34 H new ATOM 0 HB2 LYS A 26 -8.109 -5.411 -5.647 1.00 43.41 H new ATOM 0 HB3 LYS A 26 -7.043 -6.240 -6.764 1.00 43.41 H new ATOM 0 HG2 LYS A 26 -8.638 -5.952 -8.321 1.00 45.11 H new ATOM 0 HG3 LYS A 26 -9.554 -7.195 -7.492 1.00 45.11 H new ATOM 0 HD2 LYS A 26 -11.155 -5.631 -7.179 1.00 24.03 H new ATOM 0 HD3 LYS A 26 -10.102 -4.936 -5.964 1.00 24.03 H new ATOM 0 HE2 LYS A 26 -9.952 -3.065 -7.201 1.00 22.42 H new ATOM 0 HE3 LYS A 26 -9.116 -3.977 -8.442 1.00 22.42 H new ATOM 0 HZ1 LYS A 26 -11.065 -2.875 -9.328 1.00 4.32 H new ATOM 0 HZ2 LYS A 26 -11.260 -4.559 -9.420 1.00 4.32 H new ATOM 0 HZ3 LYS A 26 -12.070 -3.675 -8.218 1.00 4.32 H new ATOM 385 N ASP A 27 -5.835 -7.614 -4.548 1.00 24.42 N ATOM 386 CA ASP A 27 -4.817 -7.524 -3.511 1.00 22.11 C ATOM 387 C ASP A 27 -4.424 -6.069 -3.295 1.00 12.42 C ATOM 388 O ASP A 27 -4.071 -5.366 -4.241 1.00 4.03 O ATOM 389 CB ASP A 27 -3.590 -8.356 -3.890 1.00 1.12 C ATOM 390 CG ASP A 27 -3.904 -9.835 -4.006 1.00 23.20 C ATOM 391 OD1 ASP A 27 -5.098 -10.198 -3.931 1.00 44.20 O ATOM 392 OD2 ASP A 27 -2.957 -10.632 -4.172 1.00 61.20 O ATOM 0 H ASP A 27 -5.475 -7.813 -5.481 1.00 24.42 H new ATOM 0 HA ASP A 27 -5.227 -7.921 -2.582 1.00 22.11 H new ATOM 0 HB2 ASP A 27 -3.191 -7.997 -4.839 1.00 1.12 H new ATOM 0 HB3 ASP A 27 -2.811 -8.211 -3.141 1.00 1.12 H new ATOM 397 N VAL A 28 -4.508 -5.611 -2.052 1.00 13.21 N ATOM 398 CA VAL A 28 -4.176 -4.227 -1.737 1.00 73.13 C ATOM 399 C VAL A 28 -2.977 -4.126 -0.801 1.00 22.42 C ATOM 400 O VAL A 28 -2.922 -4.785 0.237 1.00 22.43 O ATOM 401 CB VAL A 28 -5.370 -3.487 -1.099 1.00 31.52 C ATOM 402 CG1 VAL A 28 -5.244 -1.988 -1.319 1.00 22.12 C ATOM 403 CG2 VAL A 28 -6.690 -4.003 -1.657 1.00 74.34 C ATOM 0 H VAL A 28 -4.801 -6.172 -1.252 1.00 13.21 H new ATOM 0 HA VAL A 28 -3.924 -3.755 -2.687 1.00 73.13 H new ATOM 0 HB VAL A 28 -5.359 -3.681 -0.027 1.00 31.52 H new ATOM 0 HG11 VAL A 28 -6.094 -1.481 -0.863 1.00 22.12 H new ATOM 0 HG12 VAL A 28 -4.321 -1.630 -0.864 1.00 22.12 H new ATOM 0 HG13 VAL A 28 -5.227 -1.777 -2.388 1.00 22.12 H new ATOM 0 HG21 VAL A 28 -7.516 -3.466 -1.192 1.00 74.34 H new ATOM 0 HG22 VAL A 28 -6.716 -3.845 -2.735 1.00 74.34 H new ATOM 0 HG23 VAL A 28 -6.784 -5.068 -1.444 1.00 74.34 H new ATOM 413 N LEU A 29 -2.026 -3.280 -1.180 1.00 22.35 N ATOM 414 CA LEU A 29 -0.821 -3.056 -0.388 1.00 32.45 C ATOM 415 C LEU A 29 -0.928 -1.740 0.353 1.00 41.43 C ATOM 416 O LEU A 29 -0.753 -0.679 -0.239 1.00 13.44 O ATOM 417 CB LEU A 29 0.407 -3.025 -1.296 1.00 2.32 C ATOM 418 CG LEU A 29 1.739 -3.330 -0.605 1.00 24.12 C ATOM 419 CD1 LEU A 29 1.716 -4.711 0.030 1.00 50.44 C ATOM 420 CD2 LEU A 29 2.887 -3.216 -1.596 1.00 4.34 C ATOM 0 H LEU A 29 -2.067 -2.733 -2.040 1.00 22.35 H new ATOM 0 HA LEU A 29 -0.719 -3.871 0.329 1.00 32.45 H new ATOM 0 HB2 LEU A 29 0.261 -3.745 -2.102 1.00 2.32 H new ATOM 0 HB3 LEU A 29 0.473 -2.040 -1.757 1.00 2.32 H new ATOM 0 HG LEU A 29 1.889 -2.597 0.187 1.00 24.12 H new ATOM 0 HD11 LEU A 29 2.673 -4.905 0.515 1.00 50.44 H new ATOM 0 HD12 LEU A 29 0.918 -4.757 0.771 1.00 50.44 H new ATOM 0 HD13 LEU A 29 1.540 -5.463 -0.740 1.00 50.44 H new ATOM 0 HD21 LEU A 29 3.827 -3.436 -1.090 1.00 4.34 H new ATOM 0 HD22 LEU A 29 2.738 -3.926 -2.409 1.00 4.34 H new ATOM 0 HD23 LEU A 29 2.920 -2.204 -2.000 1.00 4.34 H new ATOM 432 N ILE A 30 -1.213 -1.803 1.645 1.00 72.20 N ATOM 433 CA ILE A 30 -1.335 -0.580 2.428 1.00 41.13 C ATOM 434 C ILE A 30 -0.010 -0.220 3.086 1.00 41.14 C ATOM 435 O ILE A 30 0.587 -1.032 3.790 1.00 2.42 O ATOM 436 CB ILE A 30 -2.454 -0.680 3.492 1.00 12.14 C ATOM 437 CG1 ILE A 30 -3.223 0.651 3.566 1.00 44.24 C ATOM 438 CG2 ILE A 30 -1.885 -1.068 4.854 1.00 55.33 C ATOM 439 CD1 ILE A 30 -3.995 0.851 4.847 1.00 63.54 C ATOM 0 H ILE A 30 -1.362 -2.667 2.166 1.00 72.20 H new ATOM 0 HA ILE A 30 -1.610 0.215 1.734 1.00 41.13 H new ATOM 0 HB ILE A 30 -3.149 -1.467 3.197 1.00 12.14 H new ATOM 0 HG12 ILE A 30 -2.516 1.473 3.449 1.00 44.24 H new ATOM 0 HG13 ILE A 30 -3.915 0.704 2.726 1.00 44.24 H new ATOM 0 HG21 ILE A 30 -2.694 -1.131 5.582 1.00 55.33 H new ATOM 0 HG22 ILE A 30 -1.389 -2.036 4.779 1.00 55.33 H new ATOM 0 HG23 ILE A 30 -1.165 -0.315 5.176 1.00 55.33 H new ATOM 0 HD11 ILE A 30 -4.507 1.813 4.817 1.00 63.54 H new ATOM 0 HD12 ILE A 30 -4.729 0.052 4.958 1.00 63.54 H new ATOM 0 HD13 ILE A 30 -3.308 0.833 5.693 1.00 63.54 H new ATOM 451 N GLU A 31 0.447 1.001 2.841 1.00 61.25 N ATOM 452 CA GLU A 31 1.708 1.467 3.405 1.00 30.23 C ATOM 453 C GLU A 31 1.486 2.614 4.386 1.00 70.24 C ATOM 454 O GLU A 31 1.577 3.785 4.017 1.00 52.11 O ATOM 455 CB GLU A 31 2.659 1.906 2.285 1.00 53.44 C ATOM 456 CG GLU A 31 3.890 2.655 2.776 1.00 31.40 C ATOM 457 CD GLU A 31 4.954 2.792 1.705 1.00 14.42 C ATOM 458 OE1 GLU A 31 5.256 1.782 1.034 1.00 41.43 O ATOM 459 OE2 GLU A 31 5.485 3.910 1.536 1.00 42.43 O ATOM 0 H GLU A 31 -0.034 1.685 2.257 1.00 61.25 H new ATOM 0 HA GLU A 31 2.158 0.638 3.952 1.00 30.23 H new ATOM 0 HB2 GLU A 31 2.980 1.025 1.729 1.00 53.44 H new ATOM 0 HB3 GLU A 31 2.114 2.542 1.588 1.00 53.44 H new ATOM 0 HG2 GLU A 31 3.595 3.647 3.119 1.00 31.40 H new ATOM 0 HG3 GLU A 31 4.310 2.133 3.636 1.00 31.40 H new ATOM 466 N PHE A 32 1.218 2.272 5.643 1.00 61.02 N ATOM 467 CA PHE A 32 1.013 3.277 6.679 1.00 65.22 C ATOM 468 C PHE A 32 2.221 4.194 6.743 1.00 74.45 C ATOM 469 O PHE A 32 3.354 3.716 6.797 1.00 1.24 O ATOM 470 CB PHE A 32 0.809 2.617 8.042 1.00 73.53 C ATOM 471 CG PHE A 32 -0.484 1.864 8.158 1.00 44.52 C ATOM 472 CD1 PHE A 32 -0.597 0.582 7.650 1.00 34.11 C ATOM 473 CD2 PHE A 32 -1.585 2.440 8.770 1.00 75.21 C ATOM 474 CE1 PHE A 32 -1.786 -0.115 7.750 1.00 23.20 C ATOM 475 CE2 PHE A 32 -2.777 1.748 8.874 1.00 33.35 C ATOM 476 CZ PHE A 32 -2.878 0.469 8.363 1.00 52.32 C ATOM 0 H PHE A 32 1.138 1.308 5.967 1.00 61.02 H new ATOM 0 HA PHE A 32 0.121 3.852 6.431 1.00 65.22 H new ATOM 0 HB2 PHE A 32 1.636 1.933 8.233 1.00 73.53 H new ATOM 0 HB3 PHE A 32 0.844 3.383 8.816 1.00 73.53 H new ATOM 0 HD1 PHE A 32 0.254 0.121 7.170 1.00 34.11 H new ATOM 0 HD2 PHE A 32 -1.511 3.440 9.170 1.00 75.21 H new ATOM 0 HE1 PHE A 32 -1.862 -1.115 7.349 1.00 23.20 H new ATOM 0 HE2 PHE A 32 -3.628 2.207 9.354 1.00 33.35 H new ATOM 0 HZ PHE A 32 -3.808 -0.074 8.442 1.00 52.32 H new ATOM 486 N TYR A 33 1.979 5.502 6.722 1.00 41.11 N ATOM 487 CA TYR A 33 3.063 6.475 6.763 1.00 65.10 C ATOM 488 C TYR A 33 2.649 7.749 7.491 1.00 0.14 C ATOM 489 O TYR A 33 1.631 7.791 8.181 1.00 21.44 O ATOM 490 CB TYR A 33 3.506 6.824 5.339 1.00 55.23 C ATOM 491 CG TYR A 33 2.485 7.630 4.566 1.00 21.32 C ATOM 492 CD1 TYR A 33 1.241 7.093 4.255 1.00 40.24 C ATOM 493 CD2 TYR A 33 2.761 8.928 4.153 1.00 44.32 C ATOM 494 CE1 TYR A 33 0.302 7.826 3.554 1.00 61.35 C ATOM 495 CE2 TYR A 33 1.827 9.668 3.453 1.00 24.31 C ATOM 496 CZ TYR A 33 0.600 9.112 3.155 1.00 73.12 C ATOM 497 OH TYR A 33 -0.332 9.845 2.458 1.00 23.25 O ATOM 0 H TYR A 33 1.045 5.910 6.677 1.00 41.11 H new ATOM 0 HA TYR A 33 3.891 6.024 7.310 1.00 65.10 H new ATOM 0 HB2 TYR A 33 4.439 7.385 5.385 1.00 55.23 H new ATOM 0 HB3 TYR A 33 3.715 5.902 4.796 1.00 55.23 H new ATOM 0 HD1 TYR A 33 1.004 6.086 4.566 1.00 40.24 H new ATOM 0 HD2 TYR A 33 3.721 9.366 4.383 1.00 44.32 H new ATOM 0 HE1 TYR A 33 -0.660 7.394 3.320 1.00 61.35 H new ATOM 0 HE2 TYR A 33 2.056 10.676 3.141 1.00 24.31 H new ATOM 0 HH TYR A 33 0.035 10.731 2.253 1.00 23.25 H new ATOM 507 N ALA A 34 3.455 8.787 7.311 1.00 72.21 N ATOM 508 CA ALA A 34 3.209 10.083 7.917 1.00 21.32 C ATOM 509 C ALA A 34 3.508 11.185 6.905 1.00 43.41 C ATOM 510 O ALA A 34 3.953 10.905 5.794 1.00 1.30 O ATOM 511 CB ALA A 34 4.064 10.250 9.164 1.00 75.21 C ATOM 0 H ALA A 34 4.299 8.751 6.739 1.00 72.21 H new ATOM 0 HA ALA A 34 2.162 10.152 8.212 1.00 21.32 H new ATOM 0 HB1 ALA A 34 3.871 11.226 9.610 1.00 75.21 H new ATOM 0 HB2 ALA A 34 3.817 9.468 9.882 1.00 75.21 H new ATOM 0 HB3 ALA A 34 5.118 10.176 8.895 1.00 75.21 H new ATOM 517 N PRO A 35 3.286 12.453 7.267 1.00 54.30 N ATOM 518 CA PRO A 35 3.551 13.574 6.383 1.00 5.43 C ATOM 519 C PRO A 35 4.962 14.103 6.571 1.00 35.33 C ATOM 520 O PRO A 35 5.507 14.807 5.721 1.00 62.40 O ATOM 521 CB PRO A 35 2.526 14.596 6.853 1.00 42.25 C ATOM 522 CG PRO A 35 2.383 14.347 8.322 1.00 35.10 C ATOM 523 CD PRO A 35 2.780 12.909 8.571 1.00 41.21 C ATOM 0 HA PRO A 35 3.477 13.322 5.325 1.00 5.43 H new ATOM 0 HB2 PRO A 35 2.863 15.614 6.655 1.00 42.25 H new ATOM 0 HB3 PRO A 35 1.575 14.469 6.336 1.00 42.25 H new ATOM 0 HG2 PRO A 35 3.018 15.026 8.891 1.00 35.10 H new ATOM 0 HG3 PRO A 35 1.357 14.525 8.645 1.00 35.10 H new ATOM 0 HD2 PRO A 35 3.544 12.833 9.345 1.00 41.21 H new ATOM 0 HD3 PRO A 35 1.931 12.311 8.902 1.00 41.21 H new ATOM 531 N TRP A 36 5.536 13.745 7.707 1.00 31.21 N ATOM 532 CA TRP A 36 6.891 14.158 8.064 1.00 75.21 C ATOM 533 C TRP A 36 7.847 12.971 8.075 1.00 62.33 C ATOM 534 O TRP A 36 8.991 13.082 8.514 1.00 1.45 O ATOM 535 CB TRP A 36 6.879 14.823 9.435 1.00 52.43 C ATOM 536 CG TRP A 36 6.313 13.956 10.523 1.00 41.11 C ATOM 537 CD1 TRP A 36 6.000 12.629 10.439 1.00 21.41 C ATOM 538 CD2 TRP A 36 5.989 14.359 11.858 1.00 13.21 C ATOM 539 NE1 TRP A 36 5.495 12.185 11.635 1.00 33.33 N ATOM 540 CE2 TRP A 36 5.481 13.227 12.525 1.00 14.12 C ATOM 541 CE3 TRP A 36 6.079 15.567 12.556 1.00 31.24 C ATOM 542 CZ2 TRP A 36 5.065 13.270 13.853 1.00 12.14 C ATOM 543 CZ3 TRP A 36 5.666 15.607 13.875 1.00 62.31 C ATOM 544 CH2 TRP A 36 5.166 14.465 14.511 1.00 0.12 C ATOM 0 H TRP A 36 5.081 13.161 8.409 1.00 31.21 H new ATOM 0 HA TRP A 36 7.240 14.867 7.313 1.00 75.21 H new ATOM 0 HB2 TRP A 36 7.898 15.105 9.701 1.00 52.43 H new ATOM 0 HB3 TRP A 36 6.298 15.743 9.377 1.00 52.43 H new ATOM 0 HD1 TRP A 36 6.131 12.018 9.558 1.00 21.41 H new ATOM 0 HE1 TRP A 36 5.181 11.234 11.830 1.00 33.33 H new ATOM 0 HE3 TRP A 36 6.464 16.453 12.074 1.00 31.24 H new ATOM 0 HZ2 TRP A 36 4.676 12.391 14.346 1.00 12.14 H new ATOM 0 HZ3 TRP A 36 5.730 16.535 14.424 1.00 62.31 H new ATOM 0 HH2 TRP A 36 4.853 14.529 15.543 1.00 0.12 H new ATOM 555 N CYS A 37 7.363 11.835 7.595 1.00 12.21 N ATOM 556 CA CYS A 37 8.159 10.616 7.551 1.00 73.34 C ATOM 557 C CYS A 37 9.300 10.736 6.549 1.00 74.40 C ATOM 558 O CYS A 37 9.116 10.502 5.354 1.00 21.03 O ATOM 559 CB CYS A 37 7.276 9.423 7.186 1.00 61.20 C ATOM 560 SG CYS A 37 7.665 7.911 8.096 1.00 11.22 S ATOM 0 H CYS A 37 6.417 11.731 7.228 1.00 12.21 H new ATOM 0 HA CYS A 37 8.588 10.462 8.541 1.00 73.34 H new ATOM 0 HB2 CYS A 37 6.234 9.686 7.369 1.00 61.20 H new ATOM 0 HB3 CYS A 37 7.372 9.227 6.118 1.00 61.20 H new ATOM 0 HG CYS A 37 6.834 7.775 9.086 1.00 11.22 H new ATOM 566 N GLY A 38 10.482 11.090 7.041 1.00 73.01 N ATOM 567 CA GLY A 38 11.634 11.219 6.170 1.00 54.25 C ATOM 568 C GLY A 38 12.014 9.902 5.520 1.00 23.12 C ATOM 569 O GLY A 38 12.744 9.880 4.529 1.00 65.32 O ATOM 0 H GLY A 38 10.662 11.289 8.025 1.00 73.01 H new ATOM 0 HA2 GLY A 38 11.421 11.956 5.396 1.00 54.25 H new ATOM 0 HA3 GLY A 38 12.480 11.596 6.744 1.00 54.25 H new ATOM 573 N HIS A 39 11.516 8.801 6.079 1.00 2.33 N ATOM 574 CA HIS A 39 11.806 7.476 5.547 1.00 41.12 C ATOM 575 C HIS A 39 10.783 7.077 4.488 1.00 11.52 C ATOM 576 O HIS A 39 11.146 6.631 3.400 1.00 25.14 O ATOM 577 CB HIS A 39 11.819 6.443 6.675 1.00 52.33 C ATOM 578 CG HIS A 39 12.744 5.292 6.422 1.00 24.32 C ATOM 579 ND1 HIS A 39 14.086 5.451 6.147 1.00 54.12 N ATOM 580 CD2 HIS A 39 12.513 3.958 6.403 1.00 21.12 C ATOM 581 CE1 HIS A 39 14.641 4.265 5.969 1.00 22.32 C ATOM 582 NE2 HIS A 39 13.708 3.343 6.120 1.00 30.33 N ATOM 0 H HIS A 39 10.910 8.803 6.900 1.00 2.33 H new ATOM 0 HA HIS A 39 12.790 7.507 5.080 1.00 41.12 H new ATOM 0 HB2 HIS A 39 12.109 6.935 7.604 1.00 52.33 H new ATOM 0 HB3 HIS A 39 10.808 6.061 6.819 1.00 52.33 H new ATOM 0 HD2 HIS A 39 11.566 3.469 6.578 1.00 21.12 H new ATOM 0 HE1 HIS A 39 15.680 4.081 5.739 1.00 22.32 H new ATOM 0 HE2 HIS A 39 13.852 2.336 6.039 1.00 30.33 H new ATOM 591 N CYS A 40 9.502 7.240 4.811 1.00 60.23 N ATOM 592 CA CYS A 40 8.435 6.893 3.879 1.00 12.10 C ATOM 593 C CYS A 40 8.488 7.779 2.639 1.00 73.23 C ATOM 594 O CYS A 40 8.064 7.374 1.557 1.00 34.22 O ATOM 595 CB CYS A 40 7.068 7.000 4.559 1.00 63.34 C ATOM 596 SG CYS A 40 6.280 5.402 4.863 1.00 13.53 S ATOM 0 H CYS A 40 9.180 7.608 5.706 1.00 60.23 H new ATOM 0 HA CYS A 40 8.582 5.860 3.565 1.00 12.10 H new ATOM 0 HB2 CYS A 40 7.184 7.524 5.508 1.00 63.34 H new ATOM 0 HB3 CYS A 40 6.410 7.607 3.938 1.00 63.34 H new ATOM 0 HG CYS A 40 5.705 5.417 6.029 1.00 13.53 H new ATOM 602 N LYS A 41 9.030 8.981 2.799 1.00 21.23 N ATOM 603 CA LYS A 41 9.158 9.912 1.681 1.00 10.33 C ATOM 604 C LYS A 41 10.015 9.302 0.572 1.00 54.14 C ATOM 605 O LYS A 41 9.937 9.710 -0.586 1.00 74.52 O ATOM 606 CB LYS A 41 9.774 11.231 2.152 1.00 51.31 C ATOM 607 CG LYS A 41 8.764 12.186 2.766 1.00 32.41 C ATOM 608 CD LYS A 41 9.036 13.625 2.358 1.00 32.30 C ATOM 609 CE LYS A 41 10.176 14.226 3.164 1.00 55.12 C ATOM 610 NZ LYS A 41 10.283 15.697 2.963 1.00 20.54 N ATOM 0 H LYS A 41 9.387 9.334 3.687 1.00 21.23 H new ATOM 0 HA LYS A 41 8.162 10.110 1.285 1.00 10.33 H new ATOM 0 HB2 LYS A 41 10.553 11.018 2.884 1.00 51.31 H new ATOM 0 HB3 LYS A 41 10.257 11.720 1.306 1.00 51.31 H new ATOM 0 HG2 LYS A 41 7.758 11.903 2.455 1.00 32.41 H new ATOM 0 HG3 LYS A 41 8.797 12.103 3.852 1.00 32.41 H new ATOM 0 HD2 LYS A 41 9.280 13.663 1.296 1.00 32.30 H new ATOM 0 HD3 LYS A 41 8.135 14.221 2.500 1.00 32.30 H new ATOM 0 HE2 LYS A 41 10.023 14.014 4.222 1.00 55.12 H new ATOM 0 HE3 LYS A 41 11.114 13.751 2.876 1.00 55.12 H new ATOM 0 HZ1 LYS A 41 11.072 16.068 3.530 1.00 20.54 H new ATOM 0 HZ2 LYS A 41 10.454 15.898 1.957 1.00 20.54 H new ATOM 0 HZ3 LYS A 41 9.398 16.153 3.262 1.00 20.54 H new ATOM 624 N ALA A 42 10.822 8.310 0.941 1.00 53.53 N ATOM 625 CA ALA A 42 11.689 7.617 -0.006 1.00 63.24 C ATOM 626 C ALA A 42 10.969 6.426 -0.619 1.00 22.20 C ATOM 627 O ALA A 42 11.399 5.873 -1.631 1.00 35.20 O ATOM 628 CB ALA A 42 12.940 7.135 0.699 1.00 71.23 C ATOM 0 H ALA A 42 10.893 7.966 1.899 1.00 53.53 H new ATOM 0 HA ALA A 42 11.958 8.315 -0.799 1.00 63.24 H new ATOM 0 HB1 ALA A 42 13.583 6.618 -0.014 1.00 71.23 H new ATOM 0 HB2 ALA A 42 13.474 7.988 1.117 1.00 71.23 H new ATOM 0 HB3 ALA A 42 12.665 6.451 1.502 1.00 71.23 H new ATOM 634 N LEU A 43 9.882 6.031 0.026 1.00 3.15 N ATOM 635 CA LEU A 43 9.077 4.895 -0.405 1.00 50.12 C ATOM 636 C LEU A 43 8.021 5.296 -1.438 1.00 0.15 C ATOM 637 O LEU A 43 7.406 4.446 -2.078 1.00 25.30 O ATOM 638 CB LEU A 43 8.388 4.285 0.808 1.00 20.44 C ATOM 639 CG LEU A 43 9.200 3.225 1.548 1.00 62.22 C ATOM 640 CD1 LEU A 43 10.137 3.877 2.554 1.00 75.32 C ATOM 641 CD2 LEU A 43 8.277 2.237 2.242 1.00 41.04 C ATOM 0 H LEU A 43 9.531 6.490 0.866 1.00 3.15 H new ATOM 0 HA LEU A 43 9.743 4.172 -0.876 1.00 50.12 H new ATOM 0 HB2 LEU A 43 8.141 5.084 1.506 1.00 20.44 H new ATOM 0 HB3 LEU A 43 7.446 3.840 0.486 1.00 20.44 H new ATOM 0 HG LEU A 43 9.802 2.681 0.820 1.00 62.22 H new ATOM 0 HD11 LEU A 43 10.708 3.106 3.072 1.00 75.32 H new ATOM 0 HD12 LEU A 43 10.821 4.547 2.033 1.00 75.32 H new ATOM 0 HD13 LEU A 43 9.554 4.446 3.279 1.00 75.32 H new ATOM 0 HD21 LEU A 43 8.872 1.488 2.765 1.00 41.04 H new ATOM 0 HD22 LEU A 43 7.650 2.767 2.959 1.00 41.04 H new ATOM 0 HD23 LEU A 43 7.646 1.746 1.501 1.00 41.04 H new ATOM 653 N ALA A 44 7.807 6.591 -1.568 1.00 71.13 N ATOM 654 CA ALA A 44 6.819 7.139 -2.492 1.00 14.25 C ATOM 655 C ALA A 44 7.243 7.029 -3.957 1.00 34.31 C ATOM 656 O ALA A 44 6.409 6.789 -4.826 1.00 74.45 O ATOM 657 CB ALA A 44 6.566 8.591 -2.154 1.00 30.41 C ATOM 0 H ALA A 44 8.313 7.299 -1.036 1.00 71.13 H new ATOM 0 HA ALA A 44 5.911 6.547 -2.375 1.00 14.25 H new ATOM 0 HB1 ALA A 44 5.828 9.002 -2.843 1.00 30.41 H new ATOM 0 HB2 ALA A 44 6.191 8.667 -1.133 1.00 30.41 H new ATOM 0 HB3 ALA A 44 7.496 9.152 -2.241 1.00 30.41 H new ATOM 663 N PRO A 45 8.538 7.211 -4.261 1.00 75.14 N ATOM 664 CA PRO A 45 9.028 7.131 -5.635 1.00 70.44 C ATOM 665 C PRO A 45 8.639 5.822 -6.283 1.00 62.41 C ATOM 666 O PRO A 45 8.356 5.753 -7.479 1.00 14.35 O ATOM 667 CB PRO A 45 10.544 7.202 -5.509 1.00 11.31 C ATOM 668 CG PRO A 45 10.835 7.699 -4.134 1.00 74.31 C ATOM 669 CD PRO A 45 9.605 7.495 -3.296 1.00 42.31 C ATOM 0 HA PRO A 45 8.610 7.926 -6.253 1.00 70.44 H new ATOM 0 HB2 PRO A 45 10.992 6.221 -5.669 1.00 11.31 H new ATOM 0 HB3 PRO A 45 10.964 7.871 -6.260 1.00 11.31 H new ATOM 0 HG2 PRO A 45 11.681 7.162 -3.706 1.00 74.31 H new ATOM 0 HG3 PRO A 45 11.108 8.754 -4.160 1.00 74.31 H new ATOM 0 HD2 PRO A 45 9.735 6.670 -2.596 1.00 42.31 H new ATOM 0 HD3 PRO A 45 9.378 8.382 -2.704 1.00 42.31 H new ATOM 677 N LYS A 46 8.617 4.791 -5.465 1.00 20.24 N ATOM 678 CA LYS A 46 8.244 3.456 -5.930 1.00 25.04 C ATOM 679 C LYS A 46 6.751 3.273 -5.823 1.00 42.02 C ATOM 680 O LYS A 46 6.153 2.487 -6.544 1.00 64.24 O ATOM 681 CB LYS A 46 8.944 2.373 -5.110 1.00 30.13 C ATOM 682 CG LYS A 46 8.384 2.226 -3.701 1.00 4.35 C ATOM 683 CD LYS A 46 9.424 2.404 -2.603 1.00 52.40 C ATOM 684 CE LYS A 46 10.590 3.301 -3.013 1.00 65.44 C ATOM 685 NZ LYS A 46 11.717 2.525 -3.602 1.00 23.32 N ATOM 0 H LYS A 46 8.852 4.843 -4.474 1.00 20.24 H new ATOM 0 HA LYS A 46 8.555 3.363 -6.970 1.00 25.04 H new ATOM 0 HB2 LYS A 46 8.855 1.419 -5.630 1.00 30.13 H new ATOM 0 HB3 LYS A 46 10.007 2.604 -5.048 1.00 30.13 H new ATOM 0 HG2 LYS A 46 7.590 2.958 -3.558 1.00 4.35 H new ATOM 0 HG3 LYS A 46 7.930 1.240 -3.602 1.00 4.35 H new ATOM 0 HD2 LYS A 46 8.942 2.827 -1.721 1.00 52.40 H new ATOM 0 HD3 LYS A 46 9.811 1.426 -2.317 1.00 52.40 H new ATOM 0 HE2 LYS A 46 10.242 4.039 -3.736 1.00 65.44 H new ATOM 0 HE3 LYS A 46 10.946 3.852 -2.142 1.00 65.44 H new ATOM 0 HZ1 LYS A 46 12.565 2.642 -3.011 1.00 23.32 H new ATOM 0 HZ2 LYS A 46 11.460 1.518 -3.644 1.00 23.32 H new ATOM 0 HZ3 LYS A 46 11.914 2.873 -4.562 1.00 23.32 H new ATOM 699 N TYR A 47 6.159 4.001 -4.905 1.00 61.23 N ATOM 700 CA TYR A 47 4.735 3.912 -4.684 1.00 23.14 C ATOM 701 C TYR A 47 3.967 4.660 -5.765 1.00 2.14 C ATOM 702 O TYR A 47 2.821 4.332 -6.063 1.00 1.03 O ATOM 703 CB TYR A 47 4.398 4.434 -3.292 1.00 43.44 C ATOM 704 CG TYR A 47 3.758 3.384 -2.421 1.00 40.11 C ATOM 705 CD1 TYR A 47 4.410 2.184 -2.174 1.00 32.01 C ATOM 706 CD2 TYR A 47 2.504 3.579 -1.862 1.00 74.31 C ATOM 707 CE1 TYR A 47 3.830 1.206 -1.395 1.00 25.32 C ATOM 708 CE2 TYR A 47 1.917 2.606 -1.077 1.00 13.43 C ATOM 709 CZ TYR A 47 2.583 1.420 -0.847 1.00 43.13 C ATOM 710 OH TYR A 47 1.999 0.445 -0.072 1.00 24.45 O ATOM 0 H TYR A 47 6.643 4.663 -4.298 1.00 61.23 H new ATOM 0 HA TYR A 47 4.431 2.867 -4.742 1.00 23.14 H new ATOM 0 HB2 TYR A 47 5.308 4.794 -2.812 1.00 43.44 H new ATOM 0 HB3 TYR A 47 3.726 5.287 -3.380 1.00 43.44 H new ATOM 0 HD1 TYR A 47 5.388 2.014 -2.599 1.00 32.01 H new ATOM 0 HD2 TYR A 47 1.979 4.505 -2.043 1.00 74.31 H new ATOM 0 HE1 TYR A 47 4.350 0.277 -1.215 1.00 25.32 H new ATOM 0 HE2 TYR A 47 0.941 2.773 -0.645 1.00 13.43 H new ATOM 0 HH TYR A 47 1.024 0.498 -0.159 1.00 24.45 H new ATOM 720 N GLU A 48 4.609 5.649 -6.368 1.00 24.14 N ATOM 721 CA GLU A 48 3.981 6.419 -7.430 1.00 22.24 C ATOM 722 C GLU A 48 4.202 5.752 -8.781 1.00 54.31 C ATOM 723 O GLU A 48 3.355 5.828 -9.666 1.00 22.41 O ATOM 724 CB GLU A 48 4.528 7.845 -7.463 1.00 13.13 C ATOM 725 CG GLU A 48 3.985 8.732 -6.355 1.00 10.32 C ATOM 726 CD GLU A 48 3.657 10.132 -6.838 1.00 51.13 C ATOM 727 OE1 GLU A 48 4.186 10.535 -7.895 1.00 72.33 O ATOM 728 OE2 GLU A 48 2.871 10.825 -6.158 1.00 52.11 O ATOM 0 H GLU A 48 5.561 5.936 -6.141 1.00 24.14 H new ATOM 0 HA GLU A 48 2.911 6.458 -7.226 1.00 22.24 H new ATOM 0 HB2 GLU A 48 5.615 7.810 -7.389 1.00 13.13 H new ATOM 0 HB3 GLU A 48 4.289 8.295 -8.427 1.00 13.13 H new ATOM 0 HG2 GLU A 48 3.088 8.276 -5.936 1.00 10.32 H new ATOM 0 HG3 GLU A 48 4.718 8.791 -5.550 1.00 10.32 H new ATOM 735 N GLU A 49 5.345 5.093 -8.929 1.00 54.44 N ATOM 736 CA GLU A 49 5.677 4.409 -10.174 1.00 42.11 C ATOM 737 C GLU A 49 5.101 3.001 -10.175 1.00 51.34 C ATOM 738 O GLU A 49 4.598 2.522 -11.188 1.00 33.31 O ATOM 739 CB GLU A 49 7.194 4.355 -10.367 1.00 61.51 C ATOM 740 CG GLU A 49 7.754 5.557 -11.111 1.00 11.24 C ATOM 741 CD GLU A 49 9.049 5.243 -11.833 1.00 61.31 C ATOM 742 OE1 GLU A 49 9.035 4.369 -12.725 1.00 30.35 O ATOM 743 OE2 GLU A 49 10.078 5.871 -11.507 1.00 22.31 O ATOM 0 H GLU A 49 6.058 5.017 -8.203 1.00 54.44 H new ATOM 0 HA GLU A 49 5.239 4.969 -11.000 1.00 42.11 H new ATOM 0 HB2 GLU A 49 7.674 4.286 -9.391 1.00 61.51 H new ATOM 0 HB3 GLU A 49 7.451 3.448 -10.914 1.00 61.51 H new ATOM 0 HG2 GLU A 49 7.016 5.909 -11.832 1.00 11.24 H new ATOM 0 HG3 GLU A 49 7.924 6.370 -10.405 1.00 11.24 H new ATOM 750 N LEU A 50 5.153 2.360 -9.019 1.00 55.33 N ATOM 751 CA LEU A 50 4.619 1.022 -8.856 1.00 62.33 C ATOM 752 C LEU A 50 3.129 1.128 -8.652 1.00 53.01 C ATOM 753 O LEU A 50 2.342 0.364 -9.210 1.00 72.22 O ATOM 754 CB LEU A 50 5.274 0.364 -7.648 1.00 53.34 C ATOM 755 CG LEU A 50 5.229 -1.167 -7.606 1.00 31.31 C ATOM 756 CD1 LEU A 50 3.845 -1.653 -7.207 1.00 73.44 C ATOM 757 CD2 LEU A 50 5.638 -1.756 -8.949 1.00 32.53 C ATOM 0 H LEU A 50 5.565 2.752 -8.172 1.00 55.33 H new ATOM 0 HA LEU A 50 4.824 0.415 -9.738 1.00 62.33 H new ATOM 0 HB2 LEU A 50 6.317 0.677 -7.611 1.00 53.34 H new ATOM 0 HB3 LEU A 50 4.794 0.746 -6.747 1.00 53.34 H new ATOM 0 HG LEU A 50 5.941 -1.507 -6.854 1.00 31.31 H new ATOM 0 HD11 LEU A 50 3.835 -2.743 -7.183 1.00 73.44 H new ATOM 0 HD12 LEU A 50 3.594 -1.266 -6.219 1.00 73.44 H new ATOM 0 HD13 LEU A 50 3.112 -1.299 -7.932 1.00 73.44 H new ATOM 0 HD21 LEU A 50 5.599 -2.844 -8.896 1.00 32.53 H new ATOM 0 HD22 LEU A 50 4.955 -1.405 -9.723 1.00 32.53 H new ATOM 0 HD23 LEU A 50 6.653 -1.441 -9.191 1.00 32.53 H new ATOM 769 N GLY A 51 2.759 2.116 -7.856 1.00 23.21 N ATOM 770 CA GLY A 51 1.362 2.361 -7.586 1.00 32.42 C ATOM 771 C GLY A 51 0.617 2.736 -8.834 1.00 21.41 C ATOM 772 O GLY A 51 -0.458 2.213 -9.116 1.00 20.22 O ATOM 0 H GLY A 51 3.404 2.755 -7.391 1.00 23.21 H new ATOM 0 HA2 GLY A 51 0.914 1.470 -7.148 1.00 32.42 H new ATOM 0 HA3 GLY A 51 1.267 3.160 -6.851 1.00 32.42 H new ATOM 776 N ALA A 52 1.210 3.640 -9.589 1.00 74.32 N ATOM 777 CA ALA A 52 0.633 4.096 -10.835 1.00 34.41 C ATOM 778 C ALA A 52 0.483 2.930 -11.794 1.00 53.51 C ATOM 779 O ALA A 52 -0.586 2.704 -12.358 1.00 24.53 O ATOM 780 CB ALA A 52 1.513 5.177 -11.432 1.00 21.31 C ATOM 0 H ALA A 52 2.102 4.077 -9.356 1.00 74.32 H new ATOM 0 HA ALA A 52 -0.357 4.513 -10.650 1.00 34.41 H new ATOM 0 HB1 ALA A 52 1.080 5.522 -12.371 1.00 21.31 H new ATOM 0 HB2 ALA A 52 1.584 6.013 -10.737 1.00 21.31 H new ATOM 0 HB3 ALA A 52 2.509 4.774 -11.618 1.00 21.31 H new ATOM 786 N LEU A 53 1.556 2.173 -11.958 1.00 5.04 N ATOM 787 CA LEU A 53 1.527 1.017 -12.837 1.00 63.21 C ATOM 788 C LEU A 53 0.510 -0.002 -12.338 1.00 15.14 C ATOM 789 O LEU A 53 -0.100 -0.724 -13.124 1.00 42.51 O ATOM 790 CB LEU A 53 2.913 0.382 -12.932 1.00 31.14 C ATOM 791 CG LEU A 53 3.987 1.286 -13.534 1.00 72.33 C ATOM 792 CD1 LEU A 53 5.373 0.805 -13.136 1.00 21.32 C ATOM 793 CD2 LEU A 53 3.852 1.336 -15.048 1.00 32.33 C ATOM 0 H LEU A 53 2.451 2.337 -11.497 1.00 5.04 H new ATOM 0 HA LEU A 53 1.230 1.347 -13.832 1.00 63.21 H new ATOM 0 HB2 LEU A 53 3.229 0.080 -11.934 1.00 31.14 H new ATOM 0 HB3 LEU A 53 2.842 -0.525 -13.532 1.00 31.14 H new ATOM 0 HG LEU A 53 3.849 2.294 -13.143 1.00 72.33 H new ATOM 0 HD11 LEU A 53 6.125 1.461 -13.574 1.00 21.32 H new ATOM 0 HD12 LEU A 53 5.466 0.821 -12.050 1.00 21.32 H new ATOM 0 HD13 LEU A 53 5.523 -0.212 -13.498 1.00 21.32 H new ATOM 0 HD21 LEU A 53 4.625 1.984 -15.461 1.00 32.33 H new ATOM 0 HD22 LEU A 53 3.964 0.332 -15.457 1.00 32.33 H new ATOM 0 HD23 LEU A 53 2.870 1.728 -15.313 1.00 32.33 H new ATOM 805 N TYR A 54 0.323 -0.046 -11.023 1.00 1.54 N ATOM 806 CA TYR A 54 -0.632 -0.969 -10.427 1.00 34.11 C ATOM 807 C TYR A 54 -2.054 -0.430 -10.553 1.00 70.15 C ATOM 808 O TYR A 54 -3.015 -1.197 -10.588 1.00 54.54 O ATOM 809 CB TYR A 54 -0.294 -1.218 -8.955 1.00 11.35 C ATOM 810 CG TYR A 54 0.590 -2.424 -8.733 1.00 31.32 C ATOM 811 CD1 TYR A 54 1.758 -2.597 -9.466 1.00 14.11 C ATOM 812 CD2 TYR A 54 0.257 -3.390 -7.792 1.00 13.35 C ATOM 813 CE1 TYR A 54 2.568 -3.699 -9.267 1.00 11.43 C ATOM 814 CE2 TYR A 54 1.063 -4.493 -7.586 1.00 12.41 C ATOM 815 CZ TYR A 54 2.217 -4.643 -8.327 1.00 43.43 C ATOM 816 OH TYR A 54 3.022 -5.741 -8.125 1.00 74.34 O ATOM 0 H TYR A 54 0.818 0.544 -10.354 1.00 1.54 H new ATOM 0 HA TYR A 54 -0.569 -1.915 -10.966 1.00 34.11 H new ATOM 0 HB2 TYR A 54 0.201 -0.335 -8.550 1.00 11.35 H new ATOM 0 HB3 TYR A 54 -1.220 -1.349 -8.395 1.00 11.35 H new ATOM 0 HD1 TYR A 54 2.037 -1.858 -10.203 1.00 14.11 H new ATOM 0 HD2 TYR A 54 -0.647 -3.277 -7.212 1.00 13.35 H new ATOM 0 HE1 TYR A 54 3.472 -3.820 -9.846 1.00 11.43 H new ATOM 0 HE2 TYR A 54 0.791 -5.234 -6.849 1.00 12.41 H new ATOM 0 HH TYR A 54 2.632 -6.308 -7.427 1.00 74.34 H new ATOM 826 N ALA A 55 -2.182 0.894 -10.611 1.00 21.21 N ATOM 827 CA ALA A 55 -3.492 1.529 -10.723 1.00 3.44 C ATOM 828 C ALA A 55 -3.723 2.149 -12.105 1.00 5.13 C ATOM 829 O ALA A 55 -4.630 2.963 -12.277 1.00 74.31 O ATOM 830 CB ALA A 55 -3.649 2.589 -9.643 1.00 34.11 C ATOM 0 H ALA A 55 -1.397 1.545 -10.582 1.00 21.21 H new ATOM 0 HA ALA A 55 -4.243 0.751 -10.588 1.00 3.44 H new ATOM 0 HB1 ALA A 55 -4.629 3.058 -9.733 1.00 34.11 H new ATOM 0 HB2 ALA A 55 -3.558 2.124 -8.661 1.00 34.11 H new ATOM 0 HB3 ALA A 55 -2.873 3.345 -9.760 1.00 34.11 H new ATOM 836 N LYS A 56 -2.904 1.773 -13.088 1.00 4.24 N ATOM 837 CA LYS A 56 -3.044 2.316 -14.439 1.00 4.42 C ATOM 838 C LYS A 56 -2.594 1.317 -15.506 1.00 44.15 C ATOM 839 O LYS A 56 -3.254 1.159 -16.534 1.00 51.42 O ATOM 840 CB LYS A 56 -2.241 3.612 -14.576 1.00 22.22 C ATOM 841 CG LYS A 56 -3.080 4.805 -15.004 1.00 10.21 C ATOM 842 CD LYS A 56 -2.447 6.116 -14.569 1.00 4.24 C ATOM 843 CE LYS A 56 -2.514 6.295 -13.061 1.00 65.32 C ATOM 844 NZ LYS A 56 -3.644 7.176 -12.655 1.00 32.21 N ATOM 0 H LYS A 56 -2.144 1.102 -12.976 1.00 4.24 H new ATOM 0 HA LYS A 56 -4.103 2.522 -14.597 1.00 4.42 H new ATOM 0 HB2 LYS A 56 -1.765 3.837 -13.622 1.00 22.22 H new ATOM 0 HB3 LYS A 56 -1.443 3.460 -15.303 1.00 22.22 H new ATOM 0 HG2 LYS A 56 -3.197 4.798 -16.088 1.00 10.21 H new ATOM 0 HG3 LYS A 56 -4.078 4.722 -14.575 1.00 10.21 H new ATOM 0 HD2 LYS A 56 -1.407 6.144 -14.894 1.00 4.24 H new ATOM 0 HD3 LYS A 56 -2.956 6.947 -15.058 1.00 4.24 H new ATOM 0 HE2 LYS A 56 -2.624 5.321 -12.585 1.00 65.32 H new ATOM 0 HE3 LYS A 56 -1.576 6.720 -12.704 1.00 65.32 H new ATOM 0 HZ1 LYS A 56 -3.654 7.272 -11.620 1.00 32.21 H new ATOM 0 HZ2 LYS A 56 -3.526 8.114 -13.089 1.00 32.21 H new ATOM 0 HZ3 LYS A 56 -4.542 6.758 -12.973 1.00 32.21 H new ATOM 858 N SER A 57 -1.465 0.657 -15.267 1.00 21.53 N ATOM 859 CA SER A 57 -0.929 -0.313 -16.220 1.00 44.53 C ATOM 860 C SER A 57 -1.903 -1.478 -16.429 1.00 60.45 C ATOM 861 O SER A 57 -3.118 -1.293 -16.380 1.00 54.40 O ATOM 862 CB SER A 57 0.433 -0.824 -15.740 1.00 10.34 C ATOM 863 OG SER A 57 1.253 -1.195 -16.835 1.00 42.20 O ATOM 0 H SER A 57 -0.903 0.775 -14.424 1.00 21.53 H new ATOM 0 HA SER A 57 -0.798 0.185 -17.181 1.00 44.53 H new ATOM 0 HB2 SER A 57 0.930 -0.050 -15.155 1.00 10.34 H new ATOM 0 HB3 SER A 57 0.292 -1.680 -15.081 1.00 10.34 H new ATOM 0 HG SER A 57 2.117 -1.516 -16.503 1.00 42.20 H new ATOM 869 N GLU A 58 -1.367 -2.677 -16.668 1.00 55.23 N ATOM 870 CA GLU A 58 -2.198 -3.858 -16.888 1.00 22.24 C ATOM 871 C GLU A 58 -2.678 -4.467 -15.570 1.00 31.15 C ATOM 872 O GLU A 58 -3.109 -5.620 -15.534 1.00 31.23 O ATOM 873 CB GLU A 58 -1.423 -4.905 -17.690 1.00 12.33 C ATOM 874 CG GLU A 58 -0.670 -4.327 -18.878 1.00 25.21 C ATOM 875 CD GLU A 58 -1.196 -4.834 -20.206 1.00 5.30 C ATOM 876 OE1 GLU A 58 -2.432 -4.881 -20.377 1.00 25.24 O ATOM 877 OE2 GLU A 58 -0.371 -5.185 -21.076 1.00 24.30 O ATOM 0 H GLU A 58 -0.363 -2.853 -16.714 1.00 55.23 H new ATOM 0 HA GLU A 58 -3.076 -3.542 -17.451 1.00 22.24 H new ATOM 0 HB2 GLU A 58 -0.714 -5.405 -17.030 1.00 12.33 H new ATOM 0 HB3 GLU A 58 -2.118 -5.665 -18.046 1.00 12.33 H new ATOM 0 HG2 GLU A 58 -0.742 -3.240 -18.855 1.00 25.21 H new ATOM 0 HG3 GLU A 58 0.387 -4.579 -18.790 1.00 25.21 H new ATOM 884 N PHE A 59 -2.613 -3.690 -14.493 1.00 74.45 N ATOM 885 CA PHE A 59 -3.054 -4.159 -13.184 1.00 21.52 C ATOM 886 C PHE A 59 -3.916 -3.101 -12.500 1.00 53.04 C ATOM 887 O PHE A 59 -4.225 -3.210 -11.314 1.00 13.31 O ATOM 888 CB PHE A 59 -1.856 -4.505 -12.294 1.00 12.03 C ATOM 889 CG PHE A 59 -0.616 -4.883 -13.058 1.00 35.24 C ATOM 890 CD1 PHE A 59 -0.525 -6.111 -13.692 1.00 22.34 C ATOM 891 CD2 PHE A 59 0.455 -4.008 -13.140 1.00 63.25 C ATOM 892 CE1 PHE A 59 0.613 -6.461 -14.394 1.00 44.50 C ATOM 893 CE2 PHE A 59 1.596 -4.352 -13.841 1.00 73.00 C ATOM 894 CZ PHE A 59 1.675 -5.580 -14.469 1.00 33.14 C ATOM 0 H PHE A 59 -2.259 -2.733 -14.501 1.00 74.45 H new ATOM 0 HA PHE A 59 -3.648 -5.061 -13.334 1.00 21.52 H new ATOM 0 HB2 PHE A 59 -1.631 -3.650 -11.656 1.00 12.03 H new ATOM 0 HB3 PHE A 59 -2.131 -5.330 -11.636 1.00 12.03 H new ATOM 0 HD1 PHE A 59 -1.353 -6.803 -13.637 1.00 22.34 H new ATOM 0 HD2 PHE A 59 0.398 -3.047 -12.651 1.00 63.25 H new ATOM 0 HE1 PHE A 59 0.672 -7.422 -14.883 1.00 44.50 H new ATOM 0 HE2 PHE A 59 2.425 -3.662 -13.898 1.00 73.00 H new ATOM 0 HZ PHE A 59 2.565 -5.851 -15.017 1.00 33.14 H new ATOM 904 N LYS A 60 -4.303 -2.079 -13.260 1.00 35.11 N ATOM 905 CA LYS A 60 -5.130 -1.001 -12.739 1.00 12.50 C ATOM 906 C LYS A 60 -6.427 -1.543 -12.143 1.00 53.32 C ATOM 907 O LYS A 60 -7.054 -0.896 -11.303 1.00 1.45 O ATOM 908 CB LYS A 60 -5.433 -0.001 -13.852 1.00 4.42 C ATOM 909 CG LYS A 60 -6.267 -0.587 -14.975 1.00 41.52 C ATOM 910 CD LYS A 60 -7.196 0.451 -15.583 1.00 11.45 C ATOM 911 CE LYS A 60 -7.456 0.173 -17.055 1.00 63.33 C ATOM 912 NZ LYS A 60 -7.523 1.427 -17.855 1.00 32.12 N ATOM 0 H LYS A 60 -4.054 -1.978 -14.244 1.00 35.11 H new ATOM 0 HA LYS A 60 -4.582 -0.497 -11.943 1.00 12.50 H new ATOM 0 HB2 LYS A 60 -5.957 0.856 -13.428 1.00 4.42 H new ATOM 0 HB3 LYS A 60 -4.494 0.371 -14.262 1.00 4.42 H new ATOM 0 HG2 LYS A 60 -5.609 -0.985 -15.748 1.00 41.52 H new ATOM 0 HG3 LYS A 60 -6.854 -1.423 -14.595 1.00 41.52 H new ATOM 0 HD2 LYS A 60 -8.141 0.457 -15.040 1.00 11.45 H new ATOM 0 HD3 LYS A 60 -6.758 1.443 -15.471 1.00 11.45 H new ATOM 0 HE2 LYS A 60 -6.666 -0.466 -17.448 1.00 63.33 H new ATOM 0 HE3 LYS A 60 -8.392 -0.375 -17.161 1.00 63.33 H new ATOM 0 HZ1 LYS A 60 -7.702 1.193 -18.853 1.00 32.12 H new ATOM 0 HZ2 LYS A 60 -8.293 2.027 -17.497 1.00 32.12 H new ATOM 0 HZ3 LYS A 60 -6.621 1.938 -17.775 1.00 32.12 H new ATOM 926 N ASP A 61 -6.814 -2.742 -12.569 1.00 63.52 N ATOM 927 CA ASP A 61 -8.022 -3.384 -12.065 1.00 24.02 C ATOM 928 C ASP A 61 -7.648 -4.526 -11.127 1.00 52.43 C ATOM 929 O ASP A 61 -8.463 -4.994 -10.332 1.00 2.45 O ATOM 930 CB ASP A 61 -8.872 -3.912 -13.222 1.00 61.12 C ATOM 931 CG ASP A 61 -8.108 -4.876 -14.108 1.00 13.52 C ATOM 932 OD1 ASP A 61 -8.062 -6.079 -13.774 1.00 23.44 O ATOM 933 OD2 ASP A 61 -7.556 -4.429 -15.135 1.00 30.32 O ATOM 0 H ASP A 61 -6.306 -3.289 -13.264 1.00 63.52 H new ATOM 0 HA ASP A 61 -8.607 -2.646 -11.516 1.00 24.02 H new ATOM 0 HB2 ASP A 61 -9.754 -4.412 -12.822 1.00 61.12 H new ATOM 0 HB3 ASP A 61 -9.225 -3.073 -13.822 1.00 61.12 H new ATOM 938 N ARG A 62 -6.396 -4.958 -11.231 1.00 74.15 N ATOM 939 CA ARG A 62 -5.868 -6.031 -10.410 1.00 30.21 C ATOM 940 C ARG A 62 -5.375 -5.475 -9.073 1.00 43.41 C ATOM 941 O ARG A 62 -5.947 -4.522 -8.545 1.00 13.43 O ATOM 942 CB ARG A 62 -4.733 -6.726 -11.164 1.00 63.22 C ATOM 943 CG ARG A 62 -4.677 -8.225 -10.938 1.00 63.51 C ATOM 944 CD ARG A 62 -3.524 -8.860 -11.698 1.00 55.34 C ATOM 945 NE ARG A 62 -3.049 -10.083 -11.054 1.00 33.12 N ATOM 946 CZ ARG A 62 -2.334 -11.018 -11.675 1.00 32.42 C ATOM 947 NH1 ARG A 62 -2.007 -10.875 -12.954 1.00 51.31 N ATOM 948 NH2 ARG A 62 -1.943 -12.100 -11.016 1.00 30.32 N ATOM 0 H ARG A 62 -5.721 -4.570 -11.890 1.00 74.15 H new ATOM 0 HA ARG A 62 -6.653 -6.758 -10.203 1.00 30.21 H new ATOM 0 HB2 ARG A 62 -4.846 -6.533 -12.231 1.00 63.22 H new ATOM 0 HB3 ARG A 62 -3.784 -6.286 -10.859 1.00 63.22 H new ATOM 0 HG2 ARG A 62 -4.569 -8.430 -9.873 1.00 63.51 H new ATOM 0 HG3 ARG A 62 -5.617 -8.677 -11.256 1.00 63.51 H new ATOM 0 HD2 ARG A 62 -3.842 -9.087 -12.716 1.00 55.34 H new ATOM 0 HD3 ARG A 62 -2.703 -8.147 -11.772 1.00 55.34 H new ATOM 0 HE ARG A 62 -3.279 -10.228 -10.071 1.00 33.12 H new ATOM 0 HH11 ARG A 62 -2.304 -10.045 -13.467 1.00 51.31 H new ATOM 0 HH12 ARG A 62 -1.459 -11.595 -13.424 1.00 51.31 H new ATOM 0 HH21 ARG A 62 -2.190 -12.216 -10.033 1.00 30.32 H new ATOM 0 HH22 ARG A 62 -1.395 -12.817 -11.492 1.00 30.32 H new ATOM 962 N VAL A 63 -4.311 -6.063 -8.529 1.00 5.03 N ATOM 963 CA VAL A 63 -3.753 -5.607 -7.261 1.00 24.54 C ATOM 964 C VAL A 63 -3.498 -4.105 -7.303 1.00 43.11 C ATOM 965 O VAL A 63 -3.007 -3.576 -8.300 1.00 13.12 O ATOM 966 CB VAL A 63 -2.433 -6.338 -6.942 1.00 31.41 C ATOM 967 CG1 VAL A 63 -1.475 -6.230 -8.115 1.00 3.53 C ATOM 968 CG2 VAL A 63 -1.790 -5.795 -5.671 1.00 23.12 C ATOM 0 H VAL A 63 -3.820 -6.854 -8.946 1.00 5.03 H new ATOM 0 HA VAL A 63 -4.479 -5.832 -6.479 1.00 24.54 H new ATOM 0 HB VAL A 63 -2.663 -7.390 -6.772 1.00 31.41 H new ATOM 0 HG11 VAL A 63 -0.547 -6.750 -7.876 1.00 3.53 H new ATOM 0 HG12 VAL A 63 -1.928 -6.682 -8.997 1.00 3.53 H new ATOM 0 HG13 VAL A 63 -1.261 -5.180 -8.315 1.00 3.53 H new ATOM 0 HG21 VAL A 63 -0.862 -6.332 -5.475 1.00 23.12 H new ATOM 0 HG22 VAL A 63 -1.576 -4.734 -5.796 1.00 23.12 H new ATOM 0 HG23 VAL A 63 -2.472 -5.931 -4.832 1.00 23.12 H new ATOM 978 N VAL A 64 -3.846 -3.421 -6.220 1.00 64.12 N ATOM 979 CA VAL A 64 -3.664 -1.982 -6.143 1.00 33.20 C ATOM 980 C VAL A 64 -2.780 -1.591 -4.963 1.00 54.35 C ATOM 981 O VAL A 64 -2.920 -2.127 -3.864 1.00 2.41 O ATOM 982 CB VAL A 64 -5.018 -1.262 -6.012 1.00 61.33 C ATOM 983 CG1 VAL A 64 -4.827 0.246 -6.036 1.00 71.13 C ATOM 984 CG2 VAL A 64 -5.967 -1.707 -7.115 1.00 23.14 C ATOM 0 H VAL A 64 -4.255 -3.841 -5.385 1.00 64.12 H new ATOM 0 HA VAL A 64 -3.175 -1.676 -7.068 1.00 33.20 H new ATOM 0 HB VAL A 64 -5.461 -1.531 -5.053 1.00 61.33 H new ATOM 0 HG11 VAL A 64 -5.796 0.737 -5.942 1.00 71.13 H new ATOM 0 HG12 VAL A 64 -4.187 0.545 -5.206 1.00 71.13 H new ATOM 0 HG13 VAL A 64 -4.361 0.539 -6.977 1.00 71.13 H new ATOM 0 HG21 VAL A 64 -6.919 -1.188 -7.007 1.00 23.14 H new ATOM 0 HG22 VAL A 64 -5.533 -1.470 -8.086 1.00 23.14 H new ATOM 0 HG23 VAL A 64 -6.130 -2.782 -7.043 1.00 23.14 H new ATOM 994 N ILE A 65 -1.881 -0.641 -5.197 1.00 53.13 N ATOM 995 CA ILE A 65 -0.985 -0.160 -4.156 1.00 64.23 C ATOM 996 C ILE A 65 -1.659 0.957 -3.363 1.00 64.25 C ATOM 997 O ILE A 65 -1.821 2.071 -3.858 1.00 74.41 O ATOM 998 CB ILE A 65 0.336 0.350 -4.766 1.00 34.00 C ATOM 999 CG1 ILE A 65 0.959 -0.729 -5.654 1.00 43.52 C ATOM 1000 CG2 ILE A 65 1.311 0.771 -3.678 1.00 13.14 C ATOM 1001 CD1 ILE A 65 1.168 -2.051 -4.946 1.00 24.43 C ATOM 0 H ILE A 65 -1.755 -0.189 -6.102 1.00 53.13 H new ATOM 0 HA ILE A 65 -0.758 -0.989 -3.486 1.00 64.23 H new ATOM 0 HB ILE A 65 0.115 1.225 -5.378 1.00 34.00 H new ATOM 0 HG12 ILE A 65 0.318 -0.888 -6.521 1.00 43.52 H new ATOM 0 HG13 ILE A 65 1.918 -0.371 -6.028 1.00 43.52 H new ATOM 0 HG21 ILE A 65 2.235 1.127 -4.135 1.00 13.14 H new ATOM 0 HG22 ILE A 65 0.869 1.570 -3.083 1.00 13.14 H new ATOM 0 HG23 ILE A 65 1.529 -0.082 -3.035 1.00 13.14 H new ATOM 0 HD11 ILE A 65 1.613 -2.767 -5.637 1.00 24.43 H new ATOM 0 HD12 ILE A 65 1.833 -1.907 -4.095 1.00 24.43 H new ATOM 0 HD13 ILE A 65 0.209 -2.432 -4.596 1.00 24.43 H new ATOM 1013 N ALA A 66 -2.080 0.641 -2.140 1.00 64.35 N ATOM 1014 CA ALA A 66 -2.772 1.616 -1.295 1.00 14.51 C ATOM 1015 C ALA A 66 -1.887 2.153 -0.171 1.00 73.12 C ATOM 1016 O ALA A 66 -0.789 1.652 0.078 1.00 3.24 O ATOM 1017 CB ALA A 66 -4.035 1.000 -0.716 1.00 0.23 C ATOM 0 H ALA A 66 -1.956 -0.277 -1.713 1.00 64.35 H new ATOM 0 HA ALA A 66 -3.032 2.463 -1.930 1.00 14.51 H new ATOM 0 HB1 ALA A 66 -4.543 1.733 -0.089 1.00 0.23 H new ATOM 0 HB2 ALA A 66 -4.697 0.696 -1.527 1.00 0.23 H new ATOM 0 HB3 ALA A 66 -3.773 0.129 -0.116 1.00 0.23 H new ATOM 1023 N LYS A 67 -2.382 3.180 0.517 1.00 1.20 N ATOM 1024 CA LYS A 67 -1.643 3.784 1.616 1.00 52.23 C ATOM 1025 C LYS A 67 -2.568 4.565 2.539 1.00 31.31 C ATOM 1026 O LYS A 67 -3.657 4.982 2.146 1.00 24.30 O ATOM 1027 CB LYS A 67 -0.536 4.699 1.081 1.00 44.25 C ATOM 1028 CG LYS A 67 -1.049 5.973 0.425 1.00 70.43 C ATOM 1029 CD LYS A 67 -0.045 7.109 0.552 1.00 21.32 C ATOM 1030 CE LYS A 67 0.626 7.415 -0.778 1.00 75.00 C ATOM 1031 NZ LYS A 67 1.895 6.655 -0.948 1.00 23.24 N ATOM 0 H LYS A 67 -3.289 3.608 0.331 1.00 1.20 H new ATOM 0 HA LYS A 67 -1.188 2.979 2.193 1.00 52.23 H new ATOM 0 HB2 LYS A 67 0.128 4.968 1.903 1.00 44.25 H new ATOM 0 HB3 LYS A 67 0.061 4.145 0.357 1.00 44.25 H new ATOM 0 HG2 LYS A 67 -1.254 5.784 -0.629 1.00 70.43 H new ATOM 0 HG3 LYS A 67 -1.992 6.266 0.886 1.00 70.43 H new ATOM 0 HD2 LYS A 67 -0.550 8.002 0.919 1.00 21.32 H new ATOM 0 HD3 LYS A 67 0.712 6.845 1.290 1.00 21.32 H new ATOM 0 HE2 LYS A 67 -0.055 7.171 -1.593 1.00 75.00 H new ATOM 0 HE3 LYS A 67 0.831 8.483 -0.844 1.00 75.00 H new ATOM 0 HZ1 LYS A 67 2.161 6.645 -1.953 1.00 23.24 H new ATOM 0 HZ2 LYS A 67 2.649 7.110 -0.395 1.00 23.24 H new ATOM 0 HZ3 LYS A 67 1.762 5.679 -0.615 1.00 23.24 H new ATOM 1045 N VAL A 68 -2.116 4.758 3.770 1.00 11.03 N ATOM 1046 CA VAL A 68 -2.884 5.488 4.766 1.00 72.45 C ATOM 1047 C VAL A 68 -1.950 6.188 5.747 1.00 32.14 C ATOM 1048 O VAL A 68 -0.798 5.788 5.911 1.00 51.32 O ATOM 1049 CB VAL A 68 -3.826 4.547 5.543 1.00 43.32 C ATOM 1050 CG1 VAL A 68 -3.020 3.533 6.341 1.00 42.24 C ATOM 1051 CG2 VAL A 68 -4.745 5.343 6.455 1.00 51.14 C ATOM 0 H VAL A 68 -1.215 4.416 4.104 1.00 11.03 H new ATOM 0 HA VAL A 68 -3.485 6.230 4.241 1.00 72.45 H new ATOM 0 HB VAL A 68 -4.445 4.007 4.827 1.00 43.32 H new ATOM 0 HG11 VAL A 68 -3.699 2.875 6.884 1.00 42.24 H new ATOM 0 HG12 VAL A 68 -2.407 2.941 5.662 1.00 42.24 H new ATOM 0 HG13 VAL A 68 -2.377 4.056 7.049 1.00 42.24 H new ATOM 0 HG21 VAL A 68 -5.402 4.661 6.995 1.00 51.14 H new ATOM 0 HG22 VAL A 68 -4.147 5.911 7.168 1.00 51.14 H new ATOM 0 HG23 VAL A 68 -5.346 6.029 5.857 1.00 51.14 H new ATOM 1061 N ASP A 69 -2.446 7.232 6.396 1.00 50.51 N ATOM 1062 CA ASP A 69 -1.644 7.975 7.356 1.00 43.22 C ATOM 1063 C ASP A 69 -1.787 7.388 8.756 1.00 5.23 C ATOM 1064 O ASP A 69 -2.885 7.324 9.306 1.00 5.32 O ATOM 1065 CB ASP A 69 -2.052 9.449 7.364 1.00 32.22 C ATOM 1066 CG ASP A 69 -0.867 10.376 7.549 1.00 4.11 C ATOM 1067 OD1 ASP A 69 -0.055 10.126 8.464 1.00 42.00 O ATOM 1068 OD2 ASP A 69 -0.751 11.352 6.778 1.00 53.31 O ATOM 0 H ASP A 69 -3.396 7.582 6.276 1.00 50.51 H new ATOM 0 HA ASP A 69 -0.600 7.897 7.054 1.00 43.22 H new ATOM 0 HB2 ASP A 69 -2.555 9.689 6.427 1.00 32.22 H new ATOM 0 HB3 ASP A 69 -2.772 9.620 8.165 1.00 32.22 H new ATOM 1073 N ALA A 70 -0.667 6.966 9.333 1.00 52.42 N ATOM 1074 CA ALA A 70 -0.670 6.392 10.674 1.00 24.21 C ATOM 1075 C ALA A 70 -0.528 7.480 11.733 1.00 22.35 C ATOM 1076 O ALA A 70 -0.005 7.240 12.821 1.00 53.45 O ATOM 1077 CB ALA A 70 0.448 5.372 10.812 1.00 61.12 C ATOM 0 H ALA A 70 0.253 7.010 8.894 1.00 52.42 H new ATOM 0 HA ALA A 70 -1.626 5.891 10.828 1.00 24.21 H new ATOM 0 HB1 ALA A 70 0.435 4.951 11.817 1.00 61.12 H new ATOM 0 HB2 ALA A 70 0.305 4.574 10.083 1.00 61.12 H new ATOM 0 HB3 ALA A 70 1.408 5.858 10.635 1.00 61.12 H new ATOM 1083 N THR A 71 -0.992 8.679 11.400 1.00 42.24 N ATOM 1084 CA THR A 71 -0.912 9.814 12.317 1.00 3.43 C ATOM 1085 C THR A 71 -1.890 10.935 11.944 1.00 33.43 C ATOM 1086 O THR A 71 -2.235 11.763 12.786 1.00 51.01 O ATOM 1087 CB THR A 71 0.514 10.365 12.341 1.00 25.35 C ATOM 1088 OG1 THR A 71 0.607 11.480 13.209 1.00 70.43 O ATOM 1089 CG2 THR A 71 1.009 10.800 10.978 1.00 30.12 C ATOM 0 H THR A 71 -1.428 8.892 10.503 1.00 42.24 H new ATOM 0 HA THR A 71 -1.190 9.450 13.306 1.00 3.43 H new ATOM 0 HB THR A 71 1.137 9.541 12.690 1.00 25.35 H new ATOM 0 HG1 THR A 71 1.527 11.817 13.211 1.00 70.43 H new ATOM 0 HG21 THR A 71 2.027 11.181 11.065 1.00 30.12 H new ATOM 0 HG22 THR A 71 0.997 9.948 10.298 1.00 30.12 H new ATOM 0 HG23 THR A 71 0.360 11.584 10.589 1.00 30.12 H new ATOM 1097 N ALA A 72 -2.333 10.968 10.687 1.00 0.30 N ATOM 1098 CA ALA A 72 -3.258 11.993 10.232 1.00 75.21 C ATOM 1099 C ALA A 72 -4.694 11.481 10.245 1.00 45.34 C ATOM 1100 O ALA A 72 -5.643 12.263 10.169 1.00 45.33 O ATOM 1101 CB ALA A 72 -2.874 12.455 8.834 1.00 51.24 C ATOM 0 H ALA A 72 -2.063 10.295 9.970 1.00 0.30 H new ATOM 0 HA ALA A 72 -3.197 12.839 10.917 1.00 75.21 H new ATOM 0 HB1 ALA A 72 -3.572 13.223 8.500 1.00 51.24 H new ATOM 0 HB2 ALA A 72 -1.864 12.865 8.851 1.00 51.24 H new ATOM 0 HB3 ALA A 72 -2.911 11.609 8.148 1.00 51.24 H new ATOM 1107 N ASN A 73 -4.847 10.164 10.334 1.00 1.30 N ATOM 1108 CA ASN A 73 -6.164 9.545 10.347 1.00 2.25 C ATOM 1109 C ASN A 73 -6.438 8.882 11.696 1.00 71.03 C ATOM 1110 O ASN A 73 -5.832 9.243 12.704 1.00 22.02 O ATOM 1111 CB ASN A 73 -6.282 8.524 9.208 1.00 15.54 C ATOM 1112 CG ASN A 73 -5.234 8.722 8.126 1.00 54.52 C ATOM 1113 OD1 ASN A 73 -4.593 7.771 7.686 1.00 72.24 O ATOM 1114 ND2 ASN A 73 -5.066 9.964 7.685 1.00 11.11 N ATOM 0 H ASN A 73 -4.072 9.504 10.398 1.00 1.30 H new ATOM 0 HA ASN A 73 -6.912 10.323 10.195 1.00 2.25 H new ATOM 0 HB2 ASN A 73 -6.189 7.518 9.617 1.00 15.54 H new ATOM 0 HB3 ASN A 73 -7.274 8.596 8.763 1.00 15.54 H new ATOM 0 HD21 ASN A 73 -4.383 10.157 6.953 1.00 11.11 H new ATOM 0 HD22 ASN A 73 -5.620 10.724 8.079 1.00 11.11 H new ATOM 1121 N ASP A 74 -7.345 7.909 11.712 1.00 10.14 N ATOM 1122 CA ASP A 74 -7.683 7.203 12.939 1.00 32.42 C ATOM 1123 C ASP A 74 -7.956 5.733 12.651 1.00 31.33 C ATOM 1124 O ASP A 74 -9.105 5.320 12.494 1.00 44.21 O ATOM 1125 CB ASP A 74 -8.904 7.834 13.598 1.00 3.14 C ATOM 1126 CG ASP A 74 -8.531 8.868 14.642 1.00 10.31 C ATOM 1127 OD1 ASP A 74 -7.636 8.585 15.465 1.00 34.45 O ATOM 1128 OD2 ASP A 74 -9.135 9.962 14.637 1.00 5.34 O ATOM 0 H ASP A 74 -7.857 7.593 10.888 1.00 10.14 H new ATOM 0 HA ASP A 74 -6.835 7.278 13.619 1.00 32.42 H new ATOM 0 HB2 ASP A 74 -9.524 8.302 12.834 1.00 3.14 H new ATOM 0 HB3 ASP A 74 -9.506 7.053 14.063 1.00 3.14 H new ATOM 1133 N VAL A 75 -6.890 4.953 12.578 1.00 53.50 N ATOM 1134 CA VAL A 75 -7.003 3.527 12.301 1.00 63.22 C ATOM 1135 C VAL A 75 -7.311 2.740 13.574 1.00 35.25 C ATOM 1136 O VAL A 75 -6.855 3.097 14.660 1.00 64.10 O ATOM 1137 CB VAL A 75 -5.715 2.978 11.654 1.00 4.11 C ATOM 1138 CG1 VAL A 75 -5.333 3.811 10.438 1.00 33.13 C ATOM 1139 CG2 VAL A 75 -4.573 2.941 12.662 1.00 12.01 C ATOM 0 H VAL A 75 -5.933 5.283 12.707 1.00 53.50 H new ATOM 0 HA VAL A 75 -7.828 3.402 11.600 1.00 63.22 H new ATOM 0 HB VAL A 75 -5.907 1.957 11.326 1.00 4.11 H new ATOM 0 HG11 VAL A 75 -4.422 3.410 9.994 1.00 33.13 H new ATOM 0 HG12 VAL A 75 -6.140 3.777 9.706 1.00 33.13 H new ATOM 0 HG13 VAL A 75 -5.164 4.844 10.743 1.00 33.13 H new ATOM 0 HG21 VAL A 75 -3.676 2.550 12.181 1.00 12.01 H new ATOM 0 HG22 VAL A 75 -4.378 3.949 13.029 1.00 12.01 H new ATOM 0 HG23 VAL A 75 -4.846 2.297 13.498 1.00 12.01 H new ATOM 1149 N PRO A 76 -8.095 1.654 13.456 1.00 60.33 N ATOM 1150 CA PRO A 76 -8.464 0.819 14.600 1.00 75.42 C ATOM 1151 C PRO A 76 -7.348 -0.135 15.012 1.00 43.21 C ATOM 1152 O PRO A 76 -7.312 -0.611 16.147 1.00 21.12 O ATOM 1153 CB PRO A 76 -9.669 0.039 14.079 1.00 73.42 C ATOM 1154 CG PRO A 76 -9.428 -0.087 12.614 1.00 11.44 C ATOM 1155 CD PRO A 76 -8.684 1.156 12.197 1.00 24.22 C ATOM 0 HA PRO A 76 -8.668 1.411 15.492 1.00 75.42 H new ATOM 0 HB2 PRO A 76 -9.744 -0.939 14.554 1.00 73.42 H new ATOM 0 HB3 PRO A 76 -10.601 0.565 14.284 1.00 73.42 H new ATOM 0 HG2 PRO A 76 -8.846 -0.981 12.392 1.00 11.44 H new ATOM 0 HG3 PRO A 76 -10.369 -0.177 12.072 1.00 11.44 H new ATOM 0 HD2 PRO A 76 -7.916 0.933 11.457 1.00 24.22 H new ATOM 0 HD3 PRO A 76 -9.353 1.891 11.750 1.00 24.22 H new ATOM 1163 N ASP A 77 -6.437 -0.413 14.083 1.00 62.52 N ATOM 1164 CA ASP A 77 -5.322 -1.311 14.352 1.00 21.44 C ATOM 1165 C ASP A 77 -4.181 -0.571 15.044 1.00 3.52 C ATOM 1166 O ASP A 77 -3.502 0.253 14.432 1.00 0.40 O ATOM 1167 CB ASP A 77 -4.824 -1.942 13.050 1.00 64.14 C ATOM 1168 CG ASP A 77 -5.321 -3.363 12.870 1.00 73.22 C ATOM 1169 OD1 ASP A 77 -6.546 -3.582 12.981 1.00 20.50 O ATOM 1170 OD2 ASP A 77 -4.486 -4.257 12.620 1.00 31.34 O ATOM 0 H ASP A 77 -6.451 -0.029 13.138 1.00 62.52 H new ATOM 0 HA ASP A 77 -5.674 -2.099 15.018 1.00 21.44 H new ATOM 0 HB2 ASP A 77 -5.153 -1.335 12.206 1.00 64.14 H new ATOM 0 HB3 ASP A 77 -3.734 -1.937 13.041 1.00 64.14 H new ATOM 1253 N PRO A 83 6.243 3.569 10.649 1.00 3.04 N ATOM 1254 CA PRO A 83 5.128 3.168 9.786 1.00 54.24 C ATOM 1255 C PRO A 83 5.071 1.657 9.585 1.00 11.33 C ATOM 1256 O PRO A 83 5.796 0.912 10.244 1.00 42.02 O ATOM 1257 CB PRO A 83 5.415 3.880 8.458 1.00 3.23 C ATOM 1258 CG PRO A 83 6.626 4.730 8.691 1.00 1.32 C ATOM 1259 CD PRO A 83 7.341 4.139 9.869 1.00 54.44 C ATOM 0 HA PRO A 83 4.164 3.436 10.219 1.00 54.24 H new ATOM 0 HB2 PRO A 83 5.594 3.159 7.661 1.00 3.23 H new ATOM 0 HB3 PRO A 83 4.565 4.490 8.152 1.00 3.23 H new ATOM 0 HG2 PRO A 83 7.269 4.738 7.811 1.00 1.32 H new ATOM 0 HG3 PRO A 83 6.342 5.764 8.888 1.00 1.32 H new ATOM 0 HD2 PRO A 83 8.062 3.379 9.567 1.00 54.44 H new ATOM 0 HD3 PRO A 83 7.890 4.894 10.432 1.00 54.44 H new ATOM 1267 N THR A 84 4.204 1.201 8.681 1.00 2.41 N ATOM 1268 CA THR A 84 4.069 -0.232 8.425 1.00 41.24 C ATOM 1269 C THR A 84 3.353 -0.488 7.102 1.00 32.43 C ATOM 1270 O THR A 84 2.424 0.229 6.745 1.00 60.21 O ATOM 1271 CB THR A 84 3.302 -0.896 9.574 1.00 10.10 C ATOM 1272 OG1 THR A 84 3.990 -0.722 10.800 1.00 22.31 O ATOM 1273 CG2 THR A 84 3.082 -2.384 9.381 1.00 53.53 C ATOM 0 H THR A 84 3.592 1.794 8.121 1.00 2.41 H new ATOM 0 HA THR A 84 5.068 -0.664 8.359 1.00 41.24 H new ATOM 0 HB THR A 84 2.329 -0.404 9.587 1.00 10.10 H new ATOM 0 HG1 THR A 84 4.938 -0.549 10.621 1.00 22.31 H new ATOM 0 HG21 THR A 84 2.533 -2.784 10.233 1.00 53.53 H new ATOM 0 HG22 THR A 84 2.509 -2.552 8.469 1.00 53.53 H new ATOM 0 HG23 THR A 84 4.046 -2.887 9.301 1.00 53.53 H new ATOM 1281 N ILE A 85 3.782 -1.523 6.383 1.00 60.42 N ATOM 1282 CA ILE A 85 3.169 -1.874 5.107 1.00 22.33 C ATOM 1283 C ILE A 85 2.446 -3.213 5.204 1.00 73.34 C ATOM 1284 O ILE A 85 3.061 -4.272 5.145 1.00 71.15 O ATOM 1285 CB ILE A 85 4.210 -1.944 3.975 1.00 41.20 C ATOM 1286 CG1 ILE A 85 5.023 -0.647 3.929 1.00 4.04 C ATOM 1287 CG2 ILE A 85 3.523 -2.205 2.639 1.00 44.35 C ATOM 1288 CD1 ILE A 85 5.761 -0.436 2.626 1.00 54.43 C ATOM 0 H ILE A 85 4.551 -2.132 6.663 1.00 60.42 H new ATOM 0 HA ILE A 85 2.452 -1.087 4.873 1.00 22.33 H new ATOM 0 HB ILE A 85 4.893 -2.771 4.171 1.00 41.20 H new ATOM 0 HG12 ILE A 85 4.354 0.197 4.098 1.00 4.04 H new ATOM 0 HG13 ILE A 85 5.743 -0.651 4.747 1.00 4.04 H new ATOM 0 HG21 ILE A 85 4.271 -2.252 1.848 1.00 44.35 H new ATOM 0 HG22 ILE A 85 2.984 -3.152 2.686 1.00 44.35 H new ATOM 0 HG23 ILE A 85 2.821 -1.398 2.427 1.00 44.35 H new ATOM 0 HD11 ILE A 85 6.314 0.503 2.669 1.00 54.43 H new ATOM 0 HD12 ILE A 85 6.456 -1.260 2.464 1.00 54.43 H new ATOM 0 HD13 ILE A 85 5.046 -0.399 1.805 1.00 54.43 H new ATOM 1300 N LYS A 86 1.137 -3.151 5.353 1.00 3.11 N ATOM 1301 CA LYS A 86 0.318 -4.352 5.465 1.00 60.53 C ATOM 1302 C LYS A 86 -0.357 -4.684 4.138 1.00 52.11 C ATOM 1303 O LYS A 86 -1.016 -3.837 3.534 1.00 22.13 O ATOM 1304 CB LYS A 86 -0.732 -4.173 6.563 1.00 33.22 C ATOM 1305 CG LYS A 86 -0.149 -4.191 7.968 1.00 12.03 C ATOM 1306 CD LYS A 86 -0.866 -3.216 8.889 1.00 13.41 C ATOM 1307 CE LYS A 86 -2.359 -3.495 8.953 1.00 71.15 C ATOM 1308 NZ LYS A 86 -2.776 -3.985 10.297 1.00 24.02 N ATOM 0 H LYS A 86 0.611 -2.278 5.400 1.00 3.11 H new ATOM 0 HA LYS A 86 0.971 -5.184 5.729 1.00 60.53 H new ATOM 0 HB2 LYS A 86 -1.253 -3.228 6.406 1.00 33.22 H new ATOM 0 HB3 LYS A 86 -1.476 -4.965 6.476 1.00 33.22 H new ATOM 0 HG2 LYS A 86 -0.220 -5.198 8.378 1.00 12.03 H new ATOM 0 HG3 LYS A 86 0.911 -3.939 7.925 1.00 12.03 H new ATOM 0 HD2 LYS A 86 -0.441 -3.282 9.890 1.00 13.41 H new ATOM 0 HD3 LYS A 86 -0.701 -2.197 8.539 1.00 13.41 H new ATOM 0 HE2 LYS A 86 -2.909 -2.585 8.712 1.00 71.15 H new ATOM 0 HE3 LYS A 86 -2.622 -4.236 8.199 1.00 71.15 H new ATOM 0 HZ1 LYS A 86 -3.793 -3.813 10.429 1.00 24.02 H new ATOM 0 HZ2 LYS A 86 -2.585 -5.005 10.369 1.00 24.02 H new ATOM 0 HZ3 LYS A 86 -2.241 -3.480 11.032 1.00 24.02 H new ATOM 1322 N LEU A 87 -0.174 -5.919 3.687 1.00 25.44 N ATOM 1323 CA LEU A 87 -0.750 -6.369 2.423 1.00 13.34 C ATOM 1324 C LEU A 87 -2.048 -7.134 2.646 1.00 25.24 C ATOM 1325 O LEU A 87 -2.034 -8.270 3.120 1.00 31.53 O ATOM 1326 CB LEU A 87 0.253 -7.263 1.695 1.00 63.02 C ATOM 1327 CG LEU A 87 -0.129 -7.711 0.271 1.00 64.25 C ATOM 1328 CD1 LEU A 87 -1.082 -8.890 0.324 1.00 33.42 C ATOM 1329 CD2 LEU A 87 -0.746 -6.565 -0.519 1.00 30.13 C ATOM 0 H LEU A 87 0.370 -6.629 4.178 1.00 25.44 H new ATOM 0 HA LEU A 87 -0.974 -5.490 1.819 1.00 13.34 H new ATOM 0 HB2 LEU A 87 1.205 -6.734 1.642 1.00 63.02 H new ATOM 0 HB3 LEU A 87 0.417 -8.155 2.300 1.00 63.02 H new ATOM 0 HG LEU A 87 0.783 -8.020 -0.240 1.00 64.25 H new ATOM 0 HD11 LEU A 87 -1.342 -9.194 -0.690 1.00 33.42 H new ATOM 0 HD12 LEU A 87 -0.603 -9.722 0.841 1.00 33.42 H new ATOM 0 HD13 LEU A 87 -1.987 -8.603 0.860 1.00 33.42 H new ATOM 0 HD21 LEU A 87 -1.005 -6.911 -1.520 1.00 30.13 H new ATOM 0 HD22 LEU A 87 -1.645 -6.216 -0.011 1.00 30.13 H new ATOM 0 HD23 LEU A 87 -0.030 -5.747 -0.592 1.00 30.13 H new ATOM 1341 N TYR A 88 -3.168 -6.516 2.287 1.00 32.44 N ATOM 1342 CA TYR A 88 -4.466 -7.159 2.433 1.00 20.25 C ATOM 1343 C TYR A 88 -4.879 -7.806 1.116 1.00 64.41 C ATOM 1344 O TYR A 88 -5.513 -7.169 0.275 1.00 42.44 O ATOM 1345 CB TYR A 88 -5.534 -6.154 2.865 1.00 52.13 C ATOM 1346 CG TYR A 88 -5.352 -5.625 4.268 1.00 21.13 C ATOM 1347 CD1 TYR A 88 -4.202 -4.934 4.625 1.00 73.15 C ATOM 1348 CD2 TYR A 88 -6.332 -5.814 5.234 1.00 30.13 C ATOM 1349 CE1 TYR A 88 -4.032 -4.447 5.906 1.00 54.40 C ATOM 1350 CE2 TYR A 88 -6.169 -5.330 6.518 1.00 35.44 C ATOM 1351 CZ TYR A 88 -5.017 -4.648 6.848 1.00 1.22 C ATOM 1352 OH TYR A 88 -4.848 -4.169 8.126 1.00 3.10 O ATOM 0 H TYR A 88 -3.202 -5.575 1.895 1.00 32.44 H new ATOM 0 HA TYR A 88 -4.378 -7.923 3.205 1.00 20.25 H new ATOM 0 HB2 TYR A 88 -5.531 -5.315 2.169 1.00 52.13 H new ATOM 0 HB3 TYR A 88 -6.513 -6.627 2.791 1.00 52.13 H new ATOM 0 HD1 TYR A 88 -3.428 -4.775 3.889 1.00 73.15 H new ATOM 0 HD2 TYR A 88 -7.235 -6.347 4.978 1.00 30.13 H new ATOM 0 HE1 TYR A 88 -3.132 -3.911 6.168 1.00 54.40 H new ATOM 0 HE2 TYR A 88 -6.939 -5.485 7.259 1.00 35.44 H new ATOM 0 HH TYR A 88 -5.194 -3.254 8.181 1.00 3.10 H new ATOM 1362 N PRO A 89 -4.526 -9.086 0.914 1.00 54.33 N ATOM 1363 CA PRO A 89 -4.864 -9.814 -0.306 1.00 44.12 C ATOM 1364 C PRO A 89 -6.349 -9.800 -0.577 1.00 5.24 C ATOM 1365 O PRO A 89 -7.133 -9.266 0.207 1.00 54.43 O ATOM 1366 CB PRO A 89 -4.423 -11.254 -0.012 1.00 1.30 C ATOM 1367 CG PRO A 89 -4.219 -11.305 1.461 1.00 52.43 C ATOM 1368 CD PRO A 89 -3.781 -9.931 1.852 1.00 64.41 C ATOM 0 HA PRO A 89 -4.385 -9.370 -1.179 1.00 44.12 H new ATOM 0 HB2 PRO A 89 -5.180 -11.971 -0.330 1.00 1.30 H new ATOM 0 HB3 PRO A 89 -3.505 -11.502 -0.546 1.00 1.30 H new ATOM 0 HG2 PRO A 89 -5.139 -11.585 1.975 1.00 52.43 H new ATOM 0 HG3 PRO A 89 -3.467 -12.047 1.727 1.00 52.43 H new ATOM 0 HD2 PRO A 89 -4.030 -9.705 2.889 1.00 64.41 H new ATOM 0 HD3 PRO A 89 -2.704 -9.803 1.747 1.00 64.41 H new ATOM 1376 N ALA A 90 -6.735 -10.428 -1.671 1.00 0.43 N ATOM 1377 CA ALA A 90 -8.136 -10.523 -2.013 1.00 75.24 C ATOM 1378 C ALA A 90 -8.670 -11.858 -1.537 1.00 45.22 C ATOM 1379 O ALA A 90 -9.248 -12.632 -2.301 1.00 1.13 O ATOM 1380 CB ALA A 90 -8.348 -10.347 -3.508 1.00 33.05 C ATOM 0 H ALA A 90 -6.101 -10.876 -2.332 1.00 0.43 H new ATOM 0 HA ALA A 90 -8.683 -9.721 -1.517 1.00 75.24 H new ATOM 0 HB1 ALA A 90 -9.411 -10.423 -3.736 1.00 33.05 H new ATOM 0 HB2 ALA A 90 -7.980 -9.368 -3.815 1.00 33.05 H new ATOM 0 HB3 ALA A 90 -7.805 -11.124 -4.046 1.00 33.05 H new ATOM 1386 N GLY A 91 -8.457 -12.110 -0.255 1.00 72.10 N ATOM 1387 CA GLY A 91 -8.900 -13.347 0.351 1.00 72.44 C ATOM 1388 C GLY A 91 -8.324 -13.535 1.738 1.00 51.35 C ATOM 1389 O GLY A 91 -8.878 -14.272 2.553 1.00 44.12 O ATOM 0 H GLY A 91 -7.980 -11.472 0.382 1.00 72.10 H new ATOM 0 HA2 GLY A 91 -9.989 -13.355 0.406 1.00 72.44 H new ATOM 0 HA3 GLY A 91 -8.607 -14.186 -0.280 1.00 72.44 H new ATOM 1393 N ALA A 92 -7.206 -12.863 2.010 1.00 43.32 N ATOM 1394 CA ALA A 92 -6.562 -12.963 3.316 1.00 72.41 C ATOM 1395 C ALA A 92 -6.435 -11.592 3.976 1.00 74.42 C ATOM 1396 O ALA A 92 -5.403 -11.266 4.563 1.00 70.33 O ATOM 1397 CB ALA A 92 -5.197 -13.626 3.185 1.00 31.53 C ATOM 0 H ALA A 92 -6.732 -12.249 1.348 1.00 43.32 H new ATOM 0 HA ALA A 92 -7.190 -13.583 3.956 1.00 72.41 H new ATOM 0 HB1 ALA A 92 -4.729 -13.693 4.167 1.00 31.53 H new ATOM 0 HB2 ALA A 92 -5.317 -14.627 2.771 1.00 31.53 H new ATOM 0 HB3 ALA A 92 -4.566 -13.033 2.523 1.00 31.53 H new ATOM 1403 N LYS A 93 -7.497 -10.796 3.882 1.00 63.44 N ATOM 1404 CA LYS A 93 -7.514 -9.460 4.476 1.00 62.03 C ATOM 1405 C LYS A 93 -7.612 -9.535 6.005 1.00 52.40 C ATOM 1406 O LYS A 93 -7.633 -8.507 6.683 1.00 73.44 O ATOM 1407 CB LYS A 93 -8.684 -8.645 3.909 1.00 51.10 C ATOM 1408 CG LYS A 93 -10.025 -8.924 4.578 1.00 74.33 C ATOM 1409 CD LYS A 93 -10.442 -10.378 4.421 1.00 31.12 C ATOM 1410 CE LYS A 93 -10.718 -10.726 2.967 1.00 50.44 C ATOM 1411 NZ LYS A 93 -10.996 -12.178 2.787 1.00 73.13 N ATOM 0 H LYS A 93 -8.358 -11.052 3.400 1.00 63.44 H new ATOM 0 HA LYS A 93 -6.577 -8.964 4.222 1.00 62.03 H new ATOM 0 HB2 LYS A 93 -8.455 -7.584 4.009 1.00 51.10 H new ATOM 0 HB3 LYS A 93 -8.773 -8.852 2.843 1.00 51.10 H new ATOM 0 HG2 LYS A 93 -9.961 -8.676 5.638 1.00 74.33 H new ATOM 0 HG3 LYS A 93 -10.789 -8.278 4.145 1.00 74.33 H new ATOM 0 HD2 LYS A 93 -9.656 -11.027 4.808 1.00 31.12 H new ATOM 0 HD3 LYS A 93 -11.335 -10.568 5.017 1.00 31.12 H new ATOM 0 HE2 LYS A 93 -11.569 -10.146 2.610 1.00 50.44 H new ATOM 0 HE3 LYS A 93 -9.861 -10.442 2.357 1.00 50.44 H new ATOM 0 HZ1 LYS A 93 -11.129 -12.383 1.776 1.00 73.13 H new ATOM 0 HZ2 LYS A 93 -10.195 -12.733 3.151 1.00 73.13 H new ATOM 0 HZ3 LYS A 93 -11.859 -12.434 3.308 1.00 73.13 H new ATOM 1425 N GLY A 94 -7.670 -10.755 6.541 1.00 31.24 N ATOM 1426 CA GLY A 94 -7.763 -10.938 7.977 1.00 21.30 C ATOM 1427 C GLY A 94 -6.403 -11.095 8.620 1.00 43.25 C ATOM 1428 O GLY A 94 -6.233 -10.814 9.807 1.00 34.03 O ATOM 0 H GLY A 94 -7.654 -11.620 6.001 1.00 31.24 H new ATOM 0 HA2 GLY A 94 -8.276 -10.083 8.418 1.00 21.30 H new ATOM 0 HA3 GLY A 94 -8.369 -11.819 8.191 1.00 21.30 H new ATOM 1432 N GLN A 95 -5.422 -11.521 7.829 1.00 30.14 N ATOM 1433 CA GLN A 95 -4.067 -11.684 8.325 1.00 32.12 C ATOM 1434 C GLN A 95 -3.069 -11.100 7.332 1.00 35.41 C ATOM 1435 O GLN A 95 -2.121 -11.766 6.913 1.00 1.14 O ATOM 1436 CB GLN A 95 -3.750 -13.155 8.581 1.00 22.32 C ATOM 1437 CG GLN A 95 -2.337 -13.370 9.089 1.00 60.44 C ATOM 1438 CD GLN A 95 -2.267 -14.364 10.231 1.00 22.42 C ATOM 1439 OE1 GLN A 95 -2.798 -15.471 10.139 1.00 5.02 O ATOM 1440 NE2 GLN A 95 -1.611 -13.973 11.317 1.00 12.52 N ATOM 0 H GLN A 95 -5.544 -11.758 6.844 1.00 30.14 H new ATOM 0 HA GLN A 95 -3.986 -11.148 9.270 1.00 32.12 H new ATOM 0 HB2 GLN A 95 -4.458 -13.554 9.308 1.00 22.32 H new ATOM 0 HB3 GLN A 95 -3.890 -13.718 7.658 1.00 22.32 H new ATOM 0 HG2 GLN A 95 -1.711 -13.721 8.269 1.00 60.44 H new ATOM 0 HG3 GLN A 95 -1.925 -12.416 9.418 1.00 60.44 H new ATOM 0 HE21 GLN A 95 -1.186 -13.046 11.350 1.00 12.52 H new ATOM 0 HE22 GLN A 95 -1.532 -14.599 12.118 1.00 12.52 H new ATOM 1449 N PRO A 96 -3.284 -9.834 6.948 1.00 24.22 N ATOM 1450 CA PRO A 96 -2.424 -9.114 6.007 1.00 41.01 C ATOM 1451 C PRO A 96 -0.940 -9.374 6.227 1.00 1.53 C ATOM 1452 O PRO A 96 -0.548 -10.031 7.192 1.00 11.13 O ATOM 1453 CB PRO A 96 -2.727 -7.664 6.344 1.00 75.41 C ATOM 1454 CG PRO A 96 -4.150 -7.662 6.772 1.00 12.13 C ATOM 1455 CD PRO A 96 -4.411 -9.000 7.402 1.00 13.13 C ATOM 0 HA PRO A 96 -2.616 -9.412 4.976 1.00 41.01 H new ATOM 0 HB2 PRO A 96 -2.075 -7.298 7.137 1.00 75.41 H new ATOM 0 HB3 PRO A 96 -2.573 -7.017 5.481 1.00 75.41 H new ATOM 0 HG2 PRO A 96 -4.340 -6.856 7.481 1.00 12.13 H new ATOM 0 HG3 PRO A 96 -4.810 -7.499 5.920 1.00 12.13 H new ATOM 0 HD2 PRO A 96 -4.443 -8.930 8.489 1.00 13.13 H new ATOM 0 HD3 PRO A 96 -5.367 -9.413 7.081 1.00 13.13 H new ATOM 1463 N VAL A 97 -0.110 -8.825 5.345 1.00 3.32 N ATOM 1464 CA VAL A 97 1.319 -8.977 5.471 1.00 62.24 C ATOM 1465 C VAL A 97 1.916 -7.713 6.056 1.00 12.14 C ATOM 1466 O VAL A 97 2.404 -6.849 5.327 1.00 15.12 O ATOM 1467 CB VAL A 97 1.985 -9.280 4.120 1.00 14.00 C ATOM 1468 CG1 VAL A 97 3.466 -9.570 4.312 1.00 44.42 C ATOM 1469 CG2 VAL A 97 1.283 -10.443 3.433 1.00 64.03 C ATOM 0 H VAL A 97 -0.410 -8.274 4.541 1.00 3.32 H new ATOM 0 HA VAL A 97 1.505 -9.823 6.133 1.00 62.24 H new ATOM 0 HB VAL A 97 1.894 -8.403 3.479 1.00 14.00 H new ATOM 0 HG11 VAL A 97 3.923 -9.783 3.346 1.00 44.42 H new ATOM 0 HG12 VAL A 97 3.951 -8.703 4.760 1.00 44.42 H new ATOM 0 HG13 VAL A 97 3.586 -10.432 4.968 1.00 44.42 H new ATOM 0 HG21 VAL A 97 1.766 -10.646 2.477 1.00 64.03 H new ATOM 0 HG22 VAL A 97 1.343 -11.329 4.065 1.00 64.03 H new ATOM 0 HG23 VAL A 97 0.237 -10.188 3.264 1.00 64.03 H new ATOM 1479 N THR A 98 1.860 -7.610 7.378 1.00 41.44 N ATOM 1480 CA THR A 98 2.394 -6.453 8.075 1.00 64.43 C ATOM 1481 C THR A 98 3.878 -6.321 7.780 1.00 21.02 C ATOM 1482 O THR A 98 4.639 -7.278 7.922 1.00 30.03 O ATOM 1483 CB THR A 98 2.148 -6.580 9.575 1.00 34.02 C ATOM 1484 OG1 THR A 98 2.603 -5.426 10.259 1.00 24.31 O ATOM 1485 CG2 THR A 98 2.825 -7.782 10.196 1.00 50.13 C ATOM 0 H THR A 98 1.449 -8.317 7.988 1.00 41.44 H new ATOM 0 HA THR A 98 1.886 -5.554 7.725 1.00 64.43 H new ATOM 0 HB THR A 98 1.070 -6.700 9.679 1.00 34.02 H new ATOM 0 HG1 THR A 98 2.434 -5.527 11.219 1.00 24.31 H new ATOM 0 HG21 THR A 98 2.608 -7.811 11.264 1.00 50.13 H new ATOM 0 HG22 THR A 98 2.453 -8.692 9.726 1.00 50.13 H new ATOM 0 HG23 THR A 98 3.902 -7.710 10.047 1.00 50.13 H new ATOM 1493 N TYR A 99 4.277 -5.145 7.325 1.00 11.02 N ATOM 1494 CA TYR A 99 5.661 -4.907 6.959 1.00 35.40 C ATOM 1495 C TYR A 99 6.166 -3.569 7.486 1.00 21.30 C ATOM 1496 O TYR A 99 5.423 -2.817 8.114 1.00 23.13 O ATOM 1497 CB TYR A 99 5.774 -4.955 5.436 1.00 10.30 C ATOM 1498 CG TYR A 99 6.673 -6.058 4.931 1.00 52.22 C ATOM 1499 CD1 TYR A 99 6.174 -7.342 4.733 1.00 4.22 C ATOM 1500 CD2 TYR A 99 8.013 -5.823 4.656 1.00 32.43 C ATOM 1501 CE1 TYR A 99 6.989 -8.358 4.274 1.00 35.13 C ATOM 1502 CE2 TYR A 99 8.834 -6.835 4.196 1.00 14.41 C ATOM 1503 CZ TYR A 99 8.317 -8.100 4.007 1.00 52.53 C ATOM 1504 OH TYR A 99 9.132 -9.110 3.550 1.00 43.14 O ATOM 0 H TYR A 99 3.662 -4.341 7.201 1.00 11.02 H new ATOM 0 HA TYR A 99 6.282 -5.680 7.411 1.00 35.40 H new ATOM 0 HB2 TYR A 99 4.779 -5.085 5.010 1.00 10.30 H new ATOM 0 HB3 TYR A 99 6.151 -3.997 5.078 1.00 10.30 H new ATOM 0 HD1 TYR A 99 5.134 -7.547 4.941 1.00 4.22 H new ATOM 0 HD2 TYR A 99 8.420 -4.834 4.804 1.00 32.43 H new ATOM 0 HE1 TYR A 99 6.588 -9.350 4.125 1.00 35.13 H new ATOM 0 HE2 TYR A 99 9.875 -6.637 3.986 1.00 14.41 H new ATOM 0 HH TYR A 99 10.037 -8.762 3.410 1.00 43.14 H new ATOM 1514 N SER A 100 7.434 -3.279 7.220 1.00 31.31 N ATOM 1515 CA SER A 100 8.042 -2.029 7.658 1.00 32.14 C ATOM 1516 C SER A 100 8.295 -1.110 6.468 1.00 23.31 C ATOM 1517 O SER A 100 7.989 0.082 6.513 1.00 62.10 O ATOM 1518 CB SER A 100 9.355 -2.304 8.395 1.00 40.51 C ATOM 1519 OG SER A 100 9.203 -3.356 9.333 1.00 1.21 O ATOM 0 H SER A 100 8.062 -3.894 6.702 1.00 31.31 H new ATOM 0 HA SER A 100 7.351 -1.534 8.341 1.00 32.14 H new ATOM 0 HB2 SER A 100 10.132 -2.563 7.676 1.00 40.51 H new ATOM 0 HB3 SER A 100 9.684 -1.400 8.908 1.00 40.51 H new ATOM 0 HG SER A 100 10.056 -3.513 9.789 1.00 1.21 H new ATOM 1525 N GLY A 101 8.855 -1.675 5.403 1.00 13.00 N ATOM 1526 CA GLY A 101 9.141 -0.898 4.211 1.00 32.02 C ATOM 1527 C GLY A 101 10.301 -1.464 3.416 1.00 62.13 C ATOM 1528 O GLY A 101 10.907 -2.459 3.814 1.00 15.31 O ATOM 0 H GLY A 101 9.116 -2.659 5.344 1.00 13.00 H new ATOM 0 HA2 GLY A 101 8.253 -0.866 3.580 1.00 32.02 H new ATOM 0 HA3 GLY A 101 9.367 0.130 4.496 1.00 32.02 H new ATOM 1532 N SER A 102 10.616 -0.828 2.292 1.00 50.31 N ATOM 1533 CA SER A 102 11.709 -1.266 1.444 1.00 71.21 C ATOM 1534 C SER A 102 11.861 -0.310 0.274 1.00 63.42 C ATOM 1535 O SER A 102 10.993 -0.242 -0.596 1.00 24.21 O ATOM 1536 CB SER A 102 11.460 -2.688 0.936 1.00 23.50 C ATOM 1537 OG SER A 102 10.112 -3.076 1.140 1.00 75.23 O ATOM 0 H SER A 102 10.124 -0.003 1.949 1.00 50.31 H new ATOM 0 HA SER A 102 12.629 -1.269 2.028 1.00 71.21 H new ATOM 0 HB2 SER A 102 11.701 -2.745 -0.125 1.00 23.50 H new ATOM 0 HB3 SER A 102 12.123 -3.383 1.452 1.00 23.50 H new ATOM 0 HG SER A 102 9.980 -3.988 0.805 1.00 75.23 H new ATOM 1543 N ARG A 103 12.959 0.435 0.259 1.00 13.43 N ATOM 1544 CA ARG A 103 13.212 1.394 -0.809 1.00 74.42 C ATOM 1545 C ARG A 103 13.522 0.676 -2.120 1.00 52.14 C ATOM 1546 O ARG A 103 14.549 0.932 -2.750 1.00 2.14 O ATOM 1547 CB ARG A 103 14.372 2.317 -0.429 1.00 32.55 C ATOM 1548 CG ARG A 103 15.671 1.578 -0.151 1.00 62.25 C ATOM 1549 CD ARG A 103 16.019 1.593 1.330 1.00 24.05 C ATOM 1550 NE ARG A 103 17.228 0.825 1.616 1.00 31.04 N ATOM 1551 CZ ARG A 103 17.556 0.384 2.828 1.00 1.13 C ATOM 1552 NH1 ARG A 103 16.770 0.631 3.868 1.00 72.31 N ATOM 1553 NH2 ARG A 103 18.675 -0.308 3.001 1.00 73.50 N ATOM 0 H ARG A 103 13.687 0.394 0.972 1.00 13.43 H new ATOM 0 HA ARG A 103 12.313 1.994 -0.949 1.00 74.42 H new ATOM 0 HB2 ARG A 103 14.536 3.032 -1.235 1.00 32.55 H new ATOM 0 HB3 ARG A 103 14.094 2.891 0.455 1.00 32.55 H new ATOM 0 HG2 ARG A 103 15.584 0.547 -0.494 1.00 62.25 H new ATOM 0 HG3 ARG A 103 16.480 2.036 -0.720 1.00 62.25 H new ATOM 0 HD2 ARG A 103 16.157 2.623 1.659 1.00 24.05 H new ATOM 0 HD3 ARG A 103 15.186 1.184 1.902 1.00 24.05 H new ATOM 0 HE ARG A 103 17.858 0.614 0.842 1.00 31.04 H new ATOM 0 HH11 ARG A 103 15.908 1.162 3.741 1.00 72.31 H new ATOM 0 HH12 ARG A 103 17.027 0.290 4.794 1.00 72.31 H new ATOM 0 HH21 ARG A 103 19.283 -0.502 2.205 1.00 73.50 H new ATOM 0 HH22 ARG A 103 18.927 -0.646 3.930 1.00 73.50 H new ATOM 1567 N THR A 104 12.629 -0.221 -2.530 1.00 51.13 N ATOM 1568 CA THR A 104 12.821 -0.964 -3.771 1.00 63.43 C ATOM 1569 C THR A 104 11.495 -1.486 -4.318 1.00 10.52 C ATOM 1570 O THR A 104 10.674 -2.028 -3.578 1.00 43.31 O ATOM 1571 CB THR A 104 13.792 -2.125 -3.551 1.00 53.32 C ATOM 1572 OG1 THR A 104 14.087 -2.770 -4.777 1.00 61.20 O ATOM 1573 CG2 THR A 104 13.268 -3.173 -2.596 1.00 35.33 C ATOM 0 H THR A 104 11.772 -0.449 -2.026 1.00 51.13 H new ATOM 0 HA THR A 104 13.244 -0.280 -4.507 1.00 63.43 H new ATOM 0 HB THR A 104 14.684 -1.675 -3.115 1.00 53.32 H new ATOM 0 HG1 THR A 104 14.711 -3.509 -4.616 1.00 61.20 H new ATOM 0 HG21 THR A 104 14.007 -3.967 -2.486 1.00 35.33 H new ATOM 0 HG22 THR A 104 13.078 -2.717 -1.624 1.00 35.33 H new ATOM 0 HG23 THR A 104 12.341 -3.592 -2.988 1.00 35.33 H new ATOM 1581 N VAL A 105 11.296 -1.313 -5.621 1.00 53.23 N ATOM 1582 CA VAL A 105 10.074 -1.760 -6.282 1.00 31.22 C ATOM 1583 C VAL A 105 10.097 -3.263 -6.548 1.00 4.43 C ATOM 1584 O VAL A 105 9.055 -3.916 -6.579 1.00 4.43 O ATOM 1585 CB VAL A 105 9.867 -1.034 -7.625 1.00 25.14 C ATOM 1586 CG1 VAL A 105 8.502 -1.370 -8.201 1.00 41.23 C ATOM 1587 CG2 VAL A 105 10.034 0.470 -7.463 1.00 12.42 C ATOM 0 H VAL A 105 11.969 -0.864 -6.243 1.00 53.23 H new ATOM 0 HA VAL A 105 9.254 -1.523 -5.604 1.00 31.22 H new ATOM 0 HB VAL A 105 10.630 -1.379 -8.323 1.00 25.14 H new ATOM 0 HG11 VAL A 105 8.369 -0.850 -9.150 1.00 41.23 H new ATOM 0 HG12 VAL A 105 8.430 -2.445 -8.363 1.00 41.23 H new ATOM 0 HG13 VAL A 105 7.725 -1.056 -7.504 1.00 41.23 H new ATOM 0 HG21 VAL A 105 9.883 0.959 -8.426 1.00 12.42 H new ATOM 0 HG22 VAL A 105 9.301 0.843 -6.748 1.00 12.42 H new ATOM 0 HG23 VAL A 105 11.038 0.687 -7.099 1.00 12.42 H new ATOM 1597 N GLU A 106 11.290 -3.804 -6.747 1.00 21.14 N ATOM 1598 CA GLU A 106 11.453 -5.226 -7.020 1.00 34.33 C ATOM 1599 C GLU A 106 10.890 -6.058 -5.880 1.00 74.15 C ATOM 1600 O GLU A 106 10.283 -7.111 -6.094 1.00 5.20 O ATOM 1601 CB GLU A 106 12.931 -5.552 -7.214 1.00 44.31 C ATOM 1602 CG GLU A 106 13.682 -4.489 -7.992 1.00 51.44 C ATOM 1603 CD GLU A 106 14.441 -5.053 -9.177 1.00 53.01 C ATOM 1604 OE1 GLU A 106 15.230 -6.001 -8.981 1.00 0.23 O ATOM 1605 OE2 GLU A 106 14.247 -4.546 -10.302 1.00 13.12 O ATOM 0 H GLU A 106 12.163 -3.278 -6.725 1.00 21.14 H new ATOM 0 HA GLU A 106 10.906 -5.467 -7.931 1.00 34.33 H new ATOM 0 HB2 GLU A 106 13.400 -5.677 -6.238 1.00 44.31 H new ATOM 0 HB3 GLU A 106 13.020 -6.505 -7.735 1.00 44.31 H new ATOM 0 HG2 GLU A 106 12.976 -3.736 -8.343 1.00 51.44 H new ATOM 0 HG3 GLU A 106 14.381 -3.984 -7.326 1.00 51.44 H new ATOM 1612 N ASP A 107 11.080 -5.563 -4.667 1.00 22.20 N ATOM 1613 CA ASP A 107 10.582 -6.246 -3.486 1.00 22.14 C ATOM 1614 C ASP A 107 9.078 -6.078 -3.395 1.00 30.35 C ATOM 1615 O ASP A 107 8.384 -6.913 -2.820 1.00 45.13 O ATOM 1616 CB ASP A 107 11.249 -5.699 -2.223 1.00 34.21 C ATOM 1617 CG ASP A 107 12.653 -6.237 -2.029 1.00 23.23 C ATOM 1618 OD1 ASP A 107 12.970 -7.292 -2.617 1.00 53.32 O ATOM 1619 OD2 ASP A 107 13.435 -5.605 -1.289 1.00 52.13 O ATOM 0 H ASP A 107 11.575 -4.692 -4.476 1.00 22.20 H new ATOM 0 HA ASP A 107 10.823 -7.306 -3.568 1.00 22.14 H new ATOM 0 HB2 ASP A 107 11.284 -4.611 -2.277 1.00 34.21 H new ATOM 0 HB3 ASP A 107 10.642 -5.956 -1.355 1.00 34.21 H new ATOM 1624 N LEU A 108 8.584 -4.992 -3.983 1.00 13.14 N ATOM 1625 CA LEU A 108 7.158 -4.704 -3.985 1.00 21.53 C ATOM 1626 C LEU A 108 6.419 -5.680 -4.874 1.00 44.54 C ATOM 1627 O LEU A 108 5.416 -6.272 -4.471 1.00 54.12 O ATOM 1628 CB LEU A 108 6.913 -3.276 -4.455 1.00 44.23 C ATOM 1629 CG LEU A 108 6.953 -2.236 -3.344 1.00 32.01 C ATOM 1630 CD1 LEU A 108 6.812 -0.835 -3.915 1.00 11.13 C ATOM 1631 CD2 LEU A 108 5.861 -2.517 -2.323 1.00 1.34 C ATOM 0 H LEU A 108 9.154 -4.297 -4.465 1.00 13.14 H new ATOM 0 HA LEU A 108 6.782 -4.811 -2.968 1.00 21.53 H new ATOM 0 HB2 LEU A 108 7.661 -3.019 -5.205 1.00 44.23 H new ATOM 0 HB3 LEU A 108 5.941 -3.229 -4.946 1.00 44.23 H new ATOM 0 HG LEU A 108 7.919 -2.298 -2.843 1.00 32.01 H new ATOM 0 HD11 LEU A 108 6.843 -0.107 -3.104 1.00 11.13 H new ATOM 0 HD12 LEU A 108 7.630 -0.641 -4.609 1.00 11.13 H new ATOM 0 HD13 LEU A 108 5.862 -0.751 -4.442 1.00 11.13 H new ATOM 0 HD21 LEU A 108 5.900 -1.767 -1.533 1.00 1.34 H new ATOM 0 HD22 LEU A 108 4.887 -2.480 -2.812 1.00 1.34 H new ATOM 0 HD23 LEU A 108 6.012 -3.506 -1.891 1.00 1.34 H new ATOM 1643 N ILE A 109 6.930 -5.871 -6.078 1.00 64.31 N ATOM 1644 CA ILE A 109 6.324 -6.806 -7.002 1.00 13.12 C ATOM 1645 C ILE A 109 6.262 -8.180 -6.346 1.00 1.02 C ATOM 1646 O ILE A 109 5.193 -8.781 -6.230 1.00 62.41 O ATOM 1647 CB ILE A 109 7.122 -6.884 -8.320 1.00 55.13 C ATOM 1648 CG1 ILE A 109 7.036 -5.551 -9.069 1.00 63.20 C ATOM 1649 CG2 ILE A 109 6.619 -8.025 -9.196 1.00 5.30 C ATOM 1650 CD1 ILE A 109 8.352 -5.112 -9.673 1.00 65.14 C ATOM 0 H ILE A 109 7.758 -5.393 -6.434 1.00 64.31 H new ATOM 0 HA ILE A 109 5.318 -6.462 -7.243 1.00 13.12 H new ATOM 0 HB ILE A 109 8.166 -7.083 -8.078 1.00 55.13 H new ATOM 0 HG12 ILE A 109 6.292 -5.636 -9.861 1.00 63.20 H new ATOM 0 HG13 ILE A 109 6.685 -4.780 -8.383 1.00 63.20 H new ATOM 0 HG21 ILE A 109 7.198 -8.058 -10.119 1.00 5.30 H new ATOM 0 HG22 ILE A 109 6.731 -8.969 -8.663 1.00 5.30 H new ATOM 0 HG23 ILE A 109 5.567 -7.865 -9.433 1.00 5.30 H new ATOM 0 HD11 ILE A 109 8.217 -4.161 -10.188 1.00 65.14 H new ATOM 0 HD12 ILE A 109 9.094 -4.995 -8.883 1.00 65.14 H new ATOM 0 HD13 ILE A 109 8.695 -5.864 -10.384 1.00 65.14 H new ATOM 1662 N LYS A 110 7.414 -8.647 -5.872 1.00 11.50 N ATOM 1663 CA LYS A 110 7.492 -9.926 -5.190 1.00 41.30 C ATOM 1664 C LYS A 110 6.688 -9.874 -3.901 1.00 4.32 C ATOM 1665 O LYS A 110 6.327 -10.906 -3.336 1.00 2.43 O ATOM 1666 CB LYS A 110 8.948 -10.277 -4.883 1.00 41.03 C ATOM 1667 CG LYS A 110 9.529 -11.327 -5.816 1.00 60.41 C ATOM 1668 CD LYS A 110 9.546 -12.702 -5.167 1.00 43.44 C ATOM 1669 CE LYS A 110 10.527 -13.635 -5.859 1.00 44.51 C ATOM 1670 NZ LYS A 110 11.772 -13.822 -5.062 1.00 34.32 N ATOM 0 H LYS A 110 8.304 -8.155 -5.950 1.00 11.50 H new ATOM 0 HA LYS A 110 7.077 -10.696 -5.840 1.00 41.30 H new ATOM 0 HB2 LYS A 110 9.552 -9.372 -4.946 1.00 41.03 H new ATOM 0 HB3 LYS A 110 9.018 -10.636 -3.856 1.00 41.03 H new ATOM 0 HG2 LYS A 110 8.942 -11.364 -6.734 1.00 60.41 H new ATOM 0 HG3 LYS A 110 10.543 -11.044 -6.097 1.00 60.41 H new ATOM 0 HD2 LYS A 110 9.815 -12.605 -4.115 1.00 43.44 H new ATOM 0 HD3 LYS A 110 8.546 -13.134 -5.202 1.00 43.44 H new ATOM 0 HE2 LYS A 110 10.053 -14.603 -6.024 1.00 44.51 H new ATOM 0 HE3 LYS A 110 10.781 -13.233 -6.840 1.00 44.51 H new ATOM 0 HZ1 LYS A 110 12.415 -14.464 -5.568 1.00 34.32 H new ATOM 0 HZ2 LYS A 110 12.238 -12.902 -4.926 1.00 34.32 H new ATOM 0 HZ3 LYS A 110 11.533 -14.230 -4.136 1.00 34.32 H new ATOM 1684 N PHE A 111 6.412 -8.657 -3.439 1.00 33.42 N ATOM 1685 CA PHE A 111 5.657 -8.464 -2.224 1.00 12.40 C ATOM 1686 C PHE A 111 4.242 -8.973 -2.390 1.00 40.41 C ATOM 1687 O PHE A 111 3.912 -10.062 -1.941 1.00 21.53 O ATOM 1688 CB PHE A 111 5.637 -6.992 -1.855 1.00 64.35 C ATOM 1689 CG PHE A 111 5.387 -6.723 -0.400 1.00 33.13 C ATOM 1690 CD1 PHE A 111 4.223 -7.167 0.205 1.00 43.23 C ATOM 1691 CD2 PHE A 111 6.307 -6.017 0.358 1.00 12.22 C ATOM 1692 CE1 PHE A 111 3.980 -6.912 1.540 1.00 33.12 C ATOM 1693 CE2 PHE A 111 6.070 -5.761 1.694 1.00 2.32 C ATOM 1694 CZ PHE A 111 4.904 -6.209 2.285 1.00 24.21 C ATOM 0 H PHE A 111 6.705 -7.793 -3.896 1.00 33.42 H new ATOM 0 HA PHE A 111 6.137 -9.028 -1.424 1.00 12.40 H new ATOM 0 HB2 PHE A 111 6.591 -6.546 -2.136 1.00 64.35 H new ATOM 0 HB3 PHE A 111 4.866 -6.493 -2.442 1.00 64.35 H new ATOM 0 HD1 PHE A 111 3.497 -7.719 -0.374 1.00 43.23 H new ATOM 0 HD2 PHE A 111 7.219 -5.663 -0.101 1.00 12.22 H new ATOM 0 HE1 PHE A 111 3.068 -7.262 2.000 1.00 33.12 H new ATOM 0 HE2 PHE A 111 6.795 -5.211 2.276 1.00 2.32 H new ATOM 0 HZ PHE A 111 4.716 -6.009 3.330 1.00 24.21 H new ATOM 1704 N ILE A 112 3.416 -8.188 -3.066 1.00 71.40 N ATOM 1705 CA ILE A 112 2.039 -8.578 -3.307 1.00 72.10 C ATOM 1706 C ILE A 112 1.985 -9.782 -4.235 1.00 63.21 C ATOM 1707 O ILE A 112 0.919 -10.335 -4.489 1.00 61.34 O ATOM 1708 CB ILE A 112 1.220 -7.427 -3.925 1.00 62.25 C ATOM 1709 CG1 ILE A 112 1.639 -6.081 -3.326 1.00 44.50 C ATOM 1710 CG2 ILE A 112 -0.266 -7.665 -3.710 1.00 72.03 C ATOM 1711 CD1 ILE A 112 2.562 -5.283 -4.221 1.00 24.14 C ATOM 0 H ILE A 112 3.676 -7.282 -3.455 1.00 71.40 H new ATOM 0 HA ILE A 112 1.602 -8.834 -2.342 1.00 72.10 H new ATOM 0 HB ILE A 112 1.418 -7.399 -4.996 1.00 62.25 H new ATOM 0 HG12 ILE A 112 0.746 -5.491 -3.119 1.00 44.50 H new ATOM 0 HG13 ILE A 112 2.134 -6.256 -2.371 1.00 44.50 H new ATOM 0 HG21 ILE A 112 -0.833 -6.845 -4.151 1.00 72.03 H new ATOM 0 HG22 ILE A 112 -0.556 -8.603 -4.183 1.00 72.03 H new ATOM 0 HG23 ILE A 112 -0.475 -7.718 -2.642 1.00 72.03 H new ATOM 0 HD11 ILE A 112 2.818 -4.342 -3.734 1.00 24.14 H new ATOM 0 HD12 ILE A 112 3.472 -5.854 -4.407 1.00 24.14 H new ATOM 0 HD13 ILE A 112 2.063 -5.077 -5.168 1.00 24.14 H new ATOM 1723 N ALA A 113 3.148 -10.195 -4.726 1.00 65.34 N ATOM 1724 CA ALA A 113 3.221 -11.350 -5.628 1.00 25.50 C ATOM 1725 C ALA A 113 3.527 -12.628 -4.863 1.00 50.32 C ATOM 1726 O ALA A 113 3.259 -13.731 -5.340 1.00 62.32 O ATOM 1727 CB ALA A 113 4.256 -11.134 -6.720 1.00 31.51 C ATOM 0 H ALA A 113 4.046 -9.757 -4.521 1.00 65.34 H new ATOM 0 HA ALA A 113 2.243 -11.454 -6.097 1.00 25.50 H new ATOM 0 HB1 ALA A 113 4.286 -12.008 -7.371 1.00 31.51 H new ATOM 0 HB2 ALA A 113 3.989 -10.254 -7.305 1.00 31.51 H new ATOM 0 HB3 ALA A 113 5.237 -10.985 -6.268 1.00 31.51 H new ATOM 1733 N GLU A 114 4.061 -12.470 -3.663 1.00 22.41 N ATOM 1734 CA GLU A 114 4.374 -13.607 -2.808 1.00 51.43 C ATOM 1735 C GLU A 114 3.473 -13.544 -1.592 1.00 52.15 C ATOM 1736 O GLU A 114 3.095 -14.559 -1.007 1.00 3.41 O ATOM 1737 CB GLU A 114 5.845 -13.580 -2.384 1.00 23.01 C ATOM 1738 CG GLU A 114 6.814 -13.733 -3.545 1.00 60.52 C ATOM 1739 CD GLU A 114 7.712 -14.947 -3.400 1.00 52.03 C ATOM 1740 OE1 GLU A 114 8.536 -14.967 -2.462 1.00 21.42 O ATOM 1741 OE2 GLU A 114 7.591 -15.876 -4.226 1.00 33.21 O ATOM 0 H GLU A 114 4.288 -11.563 -3.256 1.00 22.41 H new ATOM 0 HA GLU A 114 4.207 -14.536 -3.353 1.00 51.43 H new ATOM 0 HB2 GLU A 114 6.050 -12.640 -1.872 1.00 23.01 H new ATOM 0 HB3 GLU A 114 6.022 -14.380 -1.665 1.00 23.01 H new ATOM 0 HG2 GLU A 114 6.251 -13.811 -4.475 1.00 60.52 H new ATOM 0 HG3 GLU A 114 7.430 -12.837 -3.620 1.00 60.52 H new ATOM 1748 N ASN A 115 3.126 -12.316 -1.246 1.00 45.32 N ATOM 1749 CA ASN A 115 2.264 -12.013 -0.142 1.00 63.32 C ATOM 1750 C ASN A 115 0.824 -11.975 -0.617 1.00 23.34 C ATOM 1751 O ASN A 115 -0.101 -12.307 0.125 1.00 24.10 O ATOM 1752 CB ASN A 115 2.681 -10.660 0.406 1.00 63.53 C ATOM 1753 CG ASN A 115 3.992 -10.743 1.152 1.00 20.43 C ATOM 1754 OD1 ASN A 115 4.050 -11.175 2.302 1.00 74.23 O ATOM 1755 ND2 ASN A 115 5.054 -10.343 0.479 1.00 70.42 N ATOM 0 H ASN A 115 3.451 -11.488 -1.745 1.00 45.32 H new ATOM 0 HA ASN A 115 2.343 -12.772 0.636 1.00 63.32 H new ATOM 0 HB2 ASN A 115 2.772 -9.947 -0.414 1.00 63.53 H new ATOM 0 HB3 ASN A 115 1.906 -10.282 1.072 1.00 63.53 H new ATOM 0 HD21 ASN A 115 5.977 -10.384 0.911 1.00 70.42 H new ATOM 0 HD22 ASN A 115 4.952 -9.992 -0.473 1.00 70.42 H new ATOM 1762 N GLY A 116 0.645 -11.568 -1.872 1.00 52.13 N ATOM 1763 CA GLY A 116 -0.674 -11.493 -2.436 1.00 0.40 C ATOM 1764 C GLY A 116 -1.199 -12.845 -2.870 1.00 4.13 C ATOM 1765 O GLY A 116 -0.426 -13.775 -3.097 1.00 12.25 O ATOM 0 H GLY A 116 1.398 -11.290 -2.502 1.00 52.13 H new ATOM 0 HA2 GLY A 116 -1.355 -11.061 -1.702 1.00 0.40 H new ATOM 0 HA3 GLY A 116 -0.661 -10.820 -3.293 1.00 0.40 H new ATOM 1769 N LYS A 117 -2.513 -12.946 -3.010 1.00 30.14 N ATOM 1770 CA LYS A 117 -3.141 -14.185 -3.451 1.00 65.20 C ATOM 1771 C LYS A 117 -3.187 -14.186 -4.961 1.00 20.51 C ATOM 1772 O LYS A 117 -3.076 -15.226 -5.611 1.00 72.22 O ATOM 1773 CB LYS A 117 -4.560 -14.309 -2.901 1.00 72.12 C ATOM 1774 CG LYS A 117 -4.636 -14.300 -1.383 1.00 74.02 C ATOM 1775 CD LYS A 117 -4.900 -15.692 -0.829 1.00 64.42 C ATOM 1776 CE LYS A 117 -3.640 -16.542 -0.826 1.00 24.11 C ATOM 1777 NZ LYS A 117 -3.916 -17.944 -1.246 1.00 51.02 N ATOM 0 H LYS A 117 -3.166 -12.185 -2.825 1.00 30.14 H new ATOM 0 HA LYS A 117 -2.560 -15.029 -3.081 1.00 65.20 H new ATOM 0 HB2 LYS A 117 -5.163 -13.488 -3.290 1.00 72.12 H new ATOM 0 HB3 LYS A 117 -5.003 -15.233 -3.272 1.00 72.12 H new ATOM 0 HG2 LYS A 117 -3.702 -13.915 -0.973 1.00 74.02 H new ATOM 0 HG3 LYS A 117 -5.428 -13.623 -1.061 1.00 74.02 H new ATOM 0 HD2 LYS A 117 -5.288 -15.612 0.186 1.00 64.42 H new ATOM 0 HD3 LYS A 117 -5.669 -16.182 -1.427 1.00 64.42 H new ATOM 0 HE2 LYS A 117 -2.902 -16.101 -1.496 1.00 24.11 H new ATOM 0 HE3 LYS A 117 -3.204 -16.541 0.173 1.00 24.11 H new ATOM 0 HZ1 LYS A 117 -3.032 -18.491 -1.231 1.00 51.02 H new ATOM 0 HZ2 LYS A 117 -4.601 -18.374 -0.592 1.00 51.02 H new ATOM 0 HZ3 LYS A 117 -4.309 -17.947 -2.209 1.00 51.02 H new ATOM 1791 N TYR A 118 -3.343 -12.990 -5.504 1.00 41.14 N ATOM 1792 CA TYR A 118 -3.394 -12.792 -6.931 1.00 54.21 C ATOM 1793 C TYR A 118 -2.023 -13.055 -7.550 1.00 31.22 C ATOM 1794 O TYR A 118 -1.914 -13.347 -8.741 1.00 64.22 O ATOM 1795 CB TYR A 118 -3.845 -11.362 -7.224 1.00 73.14 C ATOM 1796 CG TYR A 118 -5.272 -11.262 -7.713 1.00 21.42 C ATOM 1797 CD1 TYR A 118 -5.574 -11.346 -9.066 1.00 22.41 C ATOM 1798 CD2 TYR A 118 -6.317 -11.081 -6.817 1.00 31.41 C ATOM 1799 CE1 TYR A 118 -6.880 -11.253 -9.512 1.00 2.21 C ATOM 1800 CE2 TYR A 118 -7.624 -10.988 -7.253 1.00 61.32 C ATOM 1801 CZ TYR A 118 -7.900 -11.074 -8.602 1.00 61.51 C ATOM 1802 OH TYR A 118 -9.201 -10.980 -9.041 1.00 31.31 O ATOM 0 H TYR A 118 -3.437 -12.132 -4.961 1.00 41.14 H new ATOM 0 HA TYR A 118 -4.106 -13.491 -7.369 1.00 54.21 H new ATOM 0 HB2 TYR A 118 -3.738 -10.764 -6.319 1.00 73.14 H new ATOM 0 HB3 TYR A 118 -3.183 -10.928 -7.973 1.00 73.14 H new ATOM 0 HD1 TYR A 118 -4.777 -11.486 -9.781 1.00 22.41 H new ATOM 0 HD2 TYR A 118 -6.104 -11.012 -5.760 1.00 31.41 H new ATOM 0 HE1 TYR A 118 -7.099 -11.320 -10.567 1.00 2.21 H new ATOM 0 HE2 TYR A 118 -8.425 -10.849 -6.542 1.00 61.32 H new ATOM 0 HH TYR A 118 -9.720 -10.438 -8.411 1.00 31.31 H new ATOM 1812 N LYS A 119 -0.975 -12.950 -6.728 1.00 14.21 N ATOM 1813 CA LYS A 119 0.387 -13.179 -7.193 1.00 21.52 C ATOM 1814 C LYS A 119 0.739 -12.246 -8.345 1.00 1.24 C ATOM 1815 O LYS A 119 1.370 -12.656 -9.319 1.00 32.33 O ATOM 1816 CB LYS A 119 0.566 -14.632 -7.626 1.00 42.53 C ATOM 1817 CG LYS A 119 -0.110 -15.635 -6.706 1.00 41.10 C ATOM 1818 CD LYS A 119 0.521 -15.633 -5.324 1.00 73.22 C ATOM 1819 CE LYS A 119 -0.229 -16.546 -4.367 1.00 43.03 C ATOM 1820 NZ LYS A 119 0.563 -16.836 -3.140 1.00 25.12 N ATOM 0 H LYS A 119 -1.048 -12.708 -5.740 1.00 14.21 H new ATOM 0 HA LYS A 119 1.062 -12.969 -6.363 1.00 21.52 H new ATOM 0 HB2 LYS A 119 0.169 -14.752 -8.634 1.00 42.53 H new ATOM 0 HB3 LYS A 119 1.631 -14.858 -7.674 1.00 42.53 H new ATOM 0 HG2 LYS A 119 -1.171 -15.398 -6.624 1.00 41.10 H new ATOM 0 HG3 LYS A 119 -0.039 -16.633 -7.139 1.00 41.10 H new ATOM 0 HD2 LYS A 119 1.560 -15.955 -5.397 1.00 73.22 H new ATOM 0 HD3 LYS A 119 0.529 -14.617 -4.928 1.00 73.22 H new ATOM 0 HE2 LYS A 119 -1.174 -16.081 -4.087 1.00 43.03 H new ATOM 0 HE3 LYS A 119 -0.471 -17.481 -4.872 1.00 43.03 H new ATOM 0 HZ1 LYS A 119 0.017 -17.461 -2.514 1.00 25.12 H new ATOM 0 HZ2 LYS A 119 1.454 -17.303 -3.404 1.00 25.12 H new ATOM 0 HZ3 LYS A 119 0.772 -15.946 -2.644 1.00 25.12 H new ATOM 1834 N ALA A 120 0.333 -10.988 -8.224 1.00 74.40 N ATOM 1835 CA ALA A 120 0.612 -9.998 -9.254 1.00 54.30 C ATOM 1836 C ALA A 120 2.100 -9.667 -9.298 1.00 30.52 C ATOM 1837 O ALA A 120 2.617 -8.969 -8.426 1.00 33.35 O ATOM 1838 CB ALA A 120 -0.208 -8.741 -9.013 1.00 64.55 C ATOM 0 H ALA A 120 -0.189 -10.631 -7.424 1.00 74.40 H new ATOM 0 HA ALA A 120 0.330 -10.418 -10.220 1.00 54.30 H new ATOM 0 HB1 ALA A 120 0.011 -8.009 -9.791 1.00 64.55 H new ATOM 0 HB2 ALA A 120 -1.269 -8.989 -9.036 1.00 64.55 H new ATOM 0 HB3 ALA A 120 0.046 -8.322 -8.039 1.00 64.55 H new ATOM 1844 N ALA A 121 2.780 -10.170 -10.322 1.00 10.42 N ATOM 1845 CA ALA A 121 4.207 -9.927 -10.487 1.00 22.33 C ATOM 1846 C ALA A 121 4.611 -10.002 -11.956 1.00 32.25 C ATOM 1847 O ALA A 121 5.812 -10.207 -12.229 1.00 52.14 O ATOM 1848 CB ALA A 121 5.010 -10.924 -9.663 1.00 73.22 C ATOM 1849 OXT ALA A 121 3.722 -9.856 -12.821 1.00 38.03 O ATOM 0 H ALA A 121 2.365 -10.750 -11.051 1.00 10.42 H new ATOM 0 HA ALA A 121 4.423 -8.920 -10.130 1.00 22.33 H new ATOM 0 HB1 ALA A 121 6.075 -10.731 -9.795 1.00 73.22 H new ATOM 0 HB2 ALA A 121 4.750 -10.818 -8.610 1.00 73.22 H new ATOM 0 HB3 ALA A 121 4.781 -11.937 -9.993 1.00 73.22 H new