USER MOD reduce.3.24.130724 H: found=0, std=0, add=606, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 607 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 69 SER OG : rot -102:sc= 1.28 USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.292 X(o=-0.29,f=-0.29) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0139 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.0098) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.262 K(o=-0.26,f=-1.8!) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0.179 USER MOD Single : A 38 THR OG1 : rot -140:sc= -1.52 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 176:sc= 0.717 (180deg=0.627) USER MOD Single : A 45 MET CE :methyl -160:sc= -1.82! (180deg=-2.75!) USER MOD Single : A 47 MET CE :methyl -177:sc= 0 (180deg=-0.00712) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.603 K(o=-0.6,f=-1.4) USER MOD Single : A 53 THR OG1 : rot -170:sc= -1.24 USER MOD Single : A 58 GLN : amide:sc= -0.362 X(o=-0.36,f=-0.46) USER MOD Single : A 60 MET CE :methyl 174:sc= 0 (180deg=-0.0521) USER MOD Single : A 80 MET CE :methyl 155:sc= -0.397 (180deg=-1.75) USER MOD Single : A 81 MET CE :methyl 138:sc= -1.31 (180deg=-2.52) USER MOD Single : A 84 CYS SG : rot -34:sc= 0.00353 USER MOD Single : A 85 MET CE :methyl 149:sc= -0.141 (180deg=-1.97!) USER MOD ----------------------------------------------------------------- ATOM 61 N TYR A 5 6.811 -4.885 -5.505 1.00 73.31 N ATOM 62 CA TYR A 5 5.998 -4.821 -6.714 1.00 31.41 C ATOM 63 C TYR A 5 6.217 -3.502 -7.449 1.00 23.52 C ATOM 64 O TYR A 5 6.336 -3.472 -8.674 1.00 23.41 O ATOM 65 CB TYR A 5 4.517 -4.985 -6.367 1.00 41.33 C ATOM 66 CG TYR A 5 4.162 -6.366 -5.865 1.00 14.44 C ATOM 67 CD1 TYR A 5 4.689 -7.502 -6.465 1.00 63.04 C ATOM 68 CD2 TYR A 5 3.298 -6.534 -4.790 1.00 35.32 C ATOM 69 CE1 TYR A 5 4.367 -8.766 -6.010 1.00 51.11 C ATOM 70 CE2 TYR A 5 2.971 -7.794 -4.327 1.00 32.11 C ATOM 71 CZ TYR A 5 3.508 -8.907 -4.940 1.00 53.34 C ATOM 72 OH TYR A 5 3.184 -10.163 -4.483 1.00 75.41 O ATOM 0 HA TYR A 5 6.303 -5.636 -7.370 1.00 31.41 H new ATOM 0 HB2 TYR A 5 4.247 -4.251 -5.608 1.00 41.33 H new ATOM 0 HB3 TYR A 5 3.919 -4.764 -7.251 1.00 41.33 H new ATOM 0 HD1 TYR A 5 5.363 -7.395 -7.302 1.00 63.04 H new ATOM 0 HD2 TYR A 5 2.875 -5.665 -4.308 1.00 35.32 H new ATOM 0 HE1 TYR A 5 4.785 -9.639 -6.489 1.00 51.11 H new ATOM 0 HE2 TYR A 5 2.298 -7.907 -3.490 1.00 32.11 H new ATOM 0 HH TYR A 5 2.569 -10.086 -3.724 1.00 75.41 H new ATOM 82 N LYS A 6 6.271 -2.412 -6.691 1.00 34.41 N ATOM 83 CA LYS A 6 6.478 -1.089 -7.267 1.00 14.02 C ATOM 84 C LYS A 6 7.871 -0.973 -7.876 1.00 2.41 C ATOM 85 O LYS A 6 8.082 -0.220 -8.826 1.00 64.04 O ATOM 86 CB LYS A 6 6.284 -0.010 -6.199 1.00 43.32 C ATOM 87 CG LYS A 6 7.504 0.199 -5.318 1.00 14.50 C ATOM 88 CD LYS A 6 8.405 1.295 -5.864 1.00 33.54 C ATOM 89 CE LYS A 6 9.869 1.009 -5.569 1.00 44.32 C ATOM 90 NZ LYS A 6 10.242 1.398 -4.181 1.00 0.22 N ATOM 0 H LYS A 6 6.174 -2.419 -5.676 1.00 34.41 H new ATOM 0 HA LYS A 6 5.742 -0.945 -8.058 1.00 14.02 H new ATOM 0 HB2 LYS A 6 6.033 0.932 -6.687 1.00 43.32 H new ATOM 0 HB3 LYS A 6 5.435 -0.280 -5.571 1.00 43.32 H new ATOM 0 HG2 LYS A 6 7.185 0.458 -4.309 1.00 14.50 H new ATOM 0 HG3 LYS A 6 8.065 -0.732 -5.245 1.00 14.50 H new ATOM 0 HD2 LYS A 6 8.260 1.384 -6.941 1.00 33.54 H new ATOM 0 HD3 LYS A 6 8.124 2.252 -5.424 1.00 33.54 H new ATOM 0 HE2 LYS A 6 10.068 -0.053 -5.714 1.00 44.32 H new ATOM 0 HE3 LYS A 6 10.495 1.551 -6.278 1.00 44.32 H new ATOM 0 HZ1 LYS A 6 11.248 1.187 -4.020 1.00 0.22 H new ATOM 0 HZ2 LYS A 6 10.076 2.416 -4.049 1.00 0.22 H new ATOM 0 HZ3 LYS A 6 9.663 0.863 -3.503 1.00 0.22 H new ATOM 104 N ALA A 7 8.818 -1.723 -7.323 1.00 63.30 N ATOM 105 CA ALA A 7 10.190 -1.707 -7.814 1.00 44.44 C ATOM 106 C ALA A 7 10.286 -2.343 -9.197 1.00 2.10 C ATOM 107 O ALA A 7 11.010 -1.857 -10.066 1.00 13.54 O ATOM 108 CB ALA A 7 11.110 -2.423 -6.837 1.00 30.13 C ATOM 0 H ALA A 7 8.660 -2.350 -6.534 1.00 63.30 H new ATOM 0 HA ALA A 7 10.507 -0.667 -7.898 1.00 44.44 H new ATOM 0 HB1 ALA A 7 12.131 -2.403 -7.217 1.00 30.13 H new ATOM 0 HB2 ALA A 7 11.073 -1.923 -5.869 1.00 30.13 H new ATOM 0 HB3 ALA A 7 10.786 -3.457 -6.723 1.00 30.13 H new ATOM 114 N ALA A 8 9.552 -3.433 -9.394 1.00 24.35 N ATOM 115 CA ALA A 8 9.554 -4.135 -10.671 1.00 61.10 C ATOM 116 C ALA A 8 8.639 -3.446 -11.677 1.00 74.12 C ATOM 117 O ALA A 8 8.937 -3.395 -12.870 1.00 63.44 O ATOM 118 CB ALA A 8 9.133 -5.584 -10.478 1.00 31.44 C ATOM 0 H ALA A 8 8.948 -3.849 -8.685 1.00 24.35 H new ATOM 0 HA ALA A 8 10.569 -4.113 -11.068 1.00 61.10 H new ATOM 0 HB1 ALA A 8 9.139 -6.096 -11.440 1.00 31.44 H new ATOM 0 HB2 ALA A 8 9.829 -6.078 -9.800 1.00 31.44 H new ATOM 0 HB3 ALA A 8 8.129 -5.618 -10.055 1.00 31.44 H new ATOM 124 N VAL A 9 7.521 -2.917 -11.188 1.00 44.13 N ATOM 125 CA VAL A 9 6.562 -2.230 -12.045 1.00 61.20 C ATOM 126 C VAL A 9 7.114 -0.893 -12.527 1.00 22.32 C ATOM 127 O VAL A 9 6.787 -0.434 -13.621 1.00 25.23 O ATOM 128 CB VAL A 9 5.228 -1.989 -11.313 1.00 45.33 C ATOM 129 CG1 VAL A 9 5.273 -0.680 -10.540 1.00 51.51 C ATOM 130 CG2 VAL A 9 4.071 -1.996 -12.300 1.00 51.52 C ATOM 0 H VAL A 9 7.258 -2.951 -10.203 1.00 44.13 H new ATOM 0 HA VAL A 9 6.385 -2.877 -12.904 1.00 61.20 H new ATOM 0 HB VAL A 9 5.072 -2.799 -10.600 1.00 45.33 H new ATOM 0 HG11 VAL A 9 4.322 -0.526 -10.029 1.00 51.51 H new ATOM 0 HG12 VAL A 9 6.077 -0.719 -9.806 1.00 51.51 H new ATOM 0 HG13 VAL A 9 5.451 0.144 -11.230 1.00 51.51 H new ATOM 0 HG21 VAL A 9 3.136 -1.824 -11.766 1.00 51.52 H new ATOM 0 HG22 VAL A 9 4.218 -1.207 -13.038 1.00 51.52 H new ATOM 0 HG23 VAL A 9 4.029 -2.961 -12.804 1.00 51.52 H new ATOM 140 N GLU A 10 7.953 -0.274 -11.702 1.00 42.13 N ATOM 141 CA GLU A 10 8.551 1.011 -12.045 1.00 54.32 C ATOM 142 C GLU A 10 9.604 0.848 -13.137 1.00 25.53 C ATOM 143 O GLU A 10 9.831 1.756 -13.936 1.00 32.25 O ATOM 144 CB GLU A 10 9.179 1.653 -10.807 1.00 11.44 C ATOM 145 CG GLU A 10 8.198 2.467 -9.979 1.00 43.43 C ATOM 146 CD GLU A 10 8.521 3.949 -9.983 1.00 50.12 C ATOM 147 OE1 GLU A 10 8.902 4.471 -11.052 1.00 13.13 O ATOM 148 OE2 GLU A 10 8.392 4.586 -8.917 1.00 2.41 O ATOM 0 H GLU A 10 8.234 -0.641 -10.793 1.00 42.13 H new ATOM 0 HA GLU A 10 7.761 1.661 -12.421 1.00 54.32 H new ATOM 0 HB2 GLU A 10 9.608 0.871 -10.181 1.00 11.44 H new ATOM 0 HB3 GLU A 10 10.000 2.298 -11.120 1.00 11.44 H new ATOM 0 HG2 GLU A 10 7.190 2.318 -10.366 1.00 43.43 H new ATOM 0 HG3 GLU A 10 8.203 2.101 -8.952 1.00 43.43 H new ATOM 155 N GLN A 11 10.245 -0.317 -13.162 1.00 42.34 N ATOM 156 CA GLN A 11 11.276 -0.599 -14.154 1.00 72.05 C ATOM 157 C GLN A 11 10.666 -1.199 -15.417 1.00 23.50 C ATOM 158 O GLN A 11 11.381 -1.694 -16.289 1.00 62.45 O ATOM 159 CB GLN A 11 12.323 -1.553 -13.576 1.00 13.40 C ATOM 160 CG GLN A 11 11.736 -2.852 -13.048 1.00 42.00 C ATOM 161 CD GLN A 11 12.798 -3.807 -12.538 1.00 13.52 C ATOM 162 OE1 GLN A 11 13.441 -3.551 -11.520 1.00 4.23 O ATOM 163 NE2 GLN A 11 12.986 -4.915 -13.244 1.00 63.12 N ATOM 0 H GLN A 11 10.069 -1.079 -12.508 1.00 42.34 H new ATOM 0 HA GLN A 11 11.759 0.342 -14.417 1.00 72.05 H new ATOM 0 HB2 GLN A 11 13.058 -1.783 -14.347 1.00 13.40 H new ATOM 0 HB3 GLN A 11 12.855 -1.050 -12.769 1.00 13.40 H new ATOM 0 HG2 GLN A 11 11.036 -2.629 -12.243 1.00 42.00 H new ATOM 0 HG3 GLN A 11 11.166 -3.338 -13.840 1.00 42.00 H new ATOM 0 HE21 GLN A 11 12.430 -5.086 -14.082 1.00 63.12 H new ATOM 0 HE22 GLN A 11 13.686 -5.595 -12.949 1.00 63.12 H new ATOM 172 N LEU A 12 9.342 -1.153 -15.508 1.00 71.11 N ATOM 173 CA LEU A 12 8.635 -1.693 -16.664 1.00 62.15 C ATOM 174 C LEU A 12 8.903 -0.851 -17.908 1.00 34.20 C ATOM 175 O LEU A 12 9.619 0.149 -17.852 1.00 61.13 O ATOM 176 CB LEU A 12 7.132 -1.751 -16.387 1.00 51.51 C ATOM 177 CG LEU A 12 6.649 -2.933 -15.547 1.00 61.51 C ATOM 178 CD1 LEU A 12 5.178 -2.774 -15.197 1.00 32.30 C ATOM 179 CD2 LEU A 12 6.885 -4.243 -16.285 1.00 70.22 C ATOM 0 H LEU A 12 8.736 -0.747 -14.795 1.00 71.11 H new ATOM 0 HA LEU A 12 9.003 -2.703 -16.845 1.00 62.15 H new ATOM 0 HB2 LEU A 12 6.840 -0.830 -15.883 1.00 51.51 H new ATOM 0 HB3 LEU A 12 6.607 -1.772 -17.342 1.00 51.51 H new ATOM 0 HG LEU A 12 7.221 -2.953 -14.620 1.00 61.51 H new ATOM 0 HD11 LEU A 12 4.852 -3.625 -14.599 1.00 32.30 H new ATOM 0 HD12 LEU A 12 5.037 -1.855 -14.628 1.00 32.30 H new ATOM 0 HD13 LEU A 12 4.589 -2.728 -16.113 1.00 32.30 H new ATOM 0 HD21 LEU A 12 6.535 -5.074 -15.672 1.00 70.22 H new ATOM 0 HD22 LEU A 12 6.339 -4.233 -17.228 1.00 70.22 H new ATOM 0 HD23 LEU A 12 7.950 -4.362 -16.484 1.00 70.22 H new ATOM 191 N THR A 13 8.320 -1.261 -19.031 1.00 21.14 N ATOM 192 CA THR A 13 8.494 -0.545 -20.288 1.00 2.43 C ATOM 193 C THR A 13 7.290 0.340 -20.588 1.00 14.03 C ATOM 194 O THR A 13 6.251 0.231 -19.937 1.00 2.03 O ATOM 195 CB THR A 13 8.708 -1.517 -21.463 1.00 44.33 C ATOM 196 OG1 THR A 13 7.583 -2.394 -21.585 1.00 3.02 O ATOM 197 CG2 THR A 13 9.976 -2.334 -21.266 1.00 1.15 C ATOM 0 H THR A 13 7.723 -2.086 -19.095 1.00 21.14 H new ATOM 0 HA THR A 13 9.381 0.079 -20.176 1.00 2.43 H new ATOM 0 HB THR A 13 8.811 -0.931 -22.376 1.00 44.33 H new ATOM 0 HG1 THR A 13 7.726 -3.008 -22.336 1.00 3.02 H new ATOM 0 HG21 THR A 13 10.106 -3.013 -22.109 1.00 1.15 H new ATOM 0 HG22 THR A 13 10.834 -1.665 -21.204 1.00 1.15 H new ATOM 0 HG23 THR A 13 9.898 -2.910 -20.344 1.00 1.15 H new ATOM 205 N GLU A 14 7.436 1.215 -21.578 1.00 13.23 N ATOM 206 CA GLU A 14 6.358 2.119 -21.963 1.00 30.31 C ATOM 207 C GLU A 14 5.194 1.347 -22.578 1.00 64.41 C ATOM 208 O GLU A 14 4.035 1.735 -22.436 1.00 63.44 O ATOM 209 CB GLU A 14 6.870 3.166 -22.954 1.00 2.01 C ATOM 210 CG GLU A 14 7.980 4.041 -22.396 1.00 22.33 C ATOM 211 CD GLU A 14 8.166 5.322 -23.185 1.00 62.11 C ATOM 212 OE1 GLU A 14 8.279 5.242 -24.426 1.00 52.14 O ATOM 213 OE2 GLU A 14 8.199 6.404 -22.562 1.00 64.43 O ATOM 0 H GLU A 14 8.289 1.317 -22.128 1.00 13.23 H new ATOM 0 HA GLU A 14 6.003 2.623 -21.064 1.00 30.31 H new ATOM 0 HB2 GLU A 14 7.233 2.660 -23.849 1.00 2.01 H new ATOM 0 HB3 GLU A 14 6.039 3.800 -23.261 1.00 2.01 H new ATOM 0 HG2 GLU A 14 7.756 4.287 -21.358 1.00 22.33 H new ATOM 0 HG3 GLU A 14 8.914 3.480 -22.396 1.00 22.33 H new ATOM 220 N GLU A 15 5.514 0.252 -23.262 1.00 13.21 N ATOM 221 CA GLU A 15 4.495 -0.574 -23.900 1.00 0.52 C ATOM 222 C GLU A 15 3.604 -1.241 -22.856 1.00 72.03 C ATOM 223 O GLU A 15 2.378 -1.179 -22.942 1.00 73.11 O ATOM 224 CB GLU A 15 5.149 -1.638 -24.784 1.00 2.45 C ATOM 225 CG GLU A 15 5.709 -1.088 -26.085 1.00 3.14 C ATOM 226 CD GLU A 15 4.633 -0.838 -27.123 1.00 43.34 C ATOM 227 OE1 GLU A 15 3.552 -1.453 -27.019 1.00 21.44 O ATOM 228 OE2 GLU A 15 4.873 -0.025 -28.041 1.00 62.43 O ATOM 0 H GLU A 15 6.469 -0.083 -23.388 1.00 13.21 H new ATOM 0 HA GLU A 15 3.876 0.073 -24.521 1.00 0.52 H new ATOM 0 HB2 GLU A 15 5.953 -2.118 -24.226 1.00 2.45 H new ATOM 0 HB3 GLU A 15 4.415 -2.410 -25.012 1.00 2.45 H new ATOM 0 HG2 GLU A 15 6.238 -0.156 -25.884 1.00 3.14 H new ATOM 0 HG3 GLU A 15 6.440 -1.789 -26.487 1.00 3.14 H new ATOM 235 N GLN A 16 4.230 -1.879 -21.873 1.00 1.13 N ATOM 236 CA GLN A 16 3.494 -2.559 -20.814 1.00 20.14 C ATOM 237 C GLN A 16 2.631 -1.575 -20.032 1.00 14.51 C ATOM 238 O GLN A 16 1.433 -1.792 -19.848 1.00 72.31 O ATOM 239 CB GLN A 16 4.462 -3.270 -19.867 1.00 21.44 C ATOM 240 CG GLN A 16 5.274 -4.367 -20.537 1.00 41.43 C ATOM 241 CD GLN A 16 4.883 -5.754 -20.067 1.00 54.41 C ATOM 242 OE1 GLN A 16 3.706 -6.118 -20.081 1.00 43.44 O ATOM 243 NE2 GLN A 16 5.869 -6.537 -19.647 1.00 1.01 N ATOM 0 H GLN A 16 5.245 -1.939 -21.788 1.00 1.13 H new ATOM 0 HA GLN A 16 2.841 -3.298 -21.278 1.00 20.14 H new ATOM 0 HB2 GLN A 16 5.144 -2.535 -19.439 1.00 21.44 H new ATOM 0 HB3 GLN A 16 3.897 -3.701 -19.040 1.00 21.44 H new ATOM 0 HG2 GLN A 16 5.142 -4.303 -21.617 1.00 41.43 H new ATOM 0 HG3 GLN A 16 6.333 -4.204 -20.335 1.00 41.43 H new ATOM 0 HE21 GLN A 16 6.830 -6.195 -19.653 1.00 1.01 H new ATOM 0 HE22 GLN A 16 5.666 -7.481 -19.319 1.00 1.01 H new ATOM 252 N LYS A 17 3.246 -0.490 -19.573 1.00 24.31 N ATOM 253 CA LYS A 17 2.535 0.529 -18.811 1.00 40.53 C ATOM 254 C LYS A 17 1.393 1.123 -19.630 1.00 62.34 C ATOM 255 O LYS A 17 0.354 1.493 -19.086 1.00 51.12 O ATOM 256 CB LYS A 17 3.498 1.638 -18.381 1.00 51.41 C ATOM 257 CG LYS A 17 3.209 2.191 -16.996 1.00 40.53 C ATOM 258 CD LYS A 17 3.539 1.180 -15.912 1.00 30.43 C ATOM 259 CE LYS A 17 4.962 1.352 -15.403 1.00 12.23 C ATOM 260 NZ LYS A 17 5.003 2.096 -14.113 1.00 62.50 N ATOM 0 H LYS A 17 4.237 -0.294 -19.716 1.00 24.31 H new ATOM 0 HA LYS A 17 2.115 0.056 -17.923 1.00 40.53 H new ATOM 0 HB2 LYS A 17 4.517 1.252 -18.404 1.00 51.41 H new ATOM 0 HB3 LYS A 17 3.449 2.451 -19.105 1.00 51.41 H new ATOM 0 HG2 LYS A 17 3.791 3.099 -16.837 1.00 40.53 H new ATOM 0 HG3 LYS A 17 2.158 2.470 -16.927 1.00 40.53 H new ATOM 0 HD2 LYS A 17 2.839 1.292 -15.084 1.00 30.43 H new ATOM 0 HD3 LYS A 17 3.411 0.171 -16.303 1.00 30.43 H new ATOM 0 HE2 LYS A 17 5.422 0.372 -15.272 1.00 12.23 H new ATOM 0 HE3 LYS A 17 5.553 1.885 -16.148 1.00 12.23 H new ATOM 0 HZ1 LYS A 17 5.990 2.193 -13.799 1.00 62.50 H new ATOM 0 HZ2 LYS A 17 4.587 3.040 -14.243 1.00 62.50 H new ATOM 0 HZ3 LYS A 17 4.461 1.575 -13.394 1.00 62.50 H new ATOM 274 N ASN A 18 1.594 1.208 -20.941 1.00 54.25 N ATOM 275 CA ASN A 18 0.580 1.756 -21.836 1.00 32.44 C ATOM 276 C ASN A 18 -0.642 0.844 -21.896 1.00 22.40 C ATOM 277 O ASN A 18 -1.771 1.311 -22.040 1.00 43.45 O ATOM 278 CB ASN A 18 1.157 1.947 -23.239 1.00 65.44 C ATOM 279 CG ASN A 18 1.641 3.364 -23.478 1.00 24.14 C ATOM 280 OD1 ASN A 18 1.138 4.313 -22.877 1.00 35.13 O ATOM 281 ND2 ASN A 18 2.624 3.513 -24.359 1.00 12.35 N ATOM 0 H ASN A 18 2.449 0.905 -21.407 1.00 54.25 H new ATOM 0 HA ASN A 18 0.270 2.725 -21.444 1.00 32.44 H new ATOM 0 HB2 ASN A 18 1.985 1.254 -23.386 1.00 65.44 H new ATOM 0 HB3 ASN A 18 0.397 1.696 -23.979 1.00 65.44 H new ATOM 0 HD21 ASN A 18 2.992 4.443 -24.560 1.00 12.35 H new ATOM 0 HD22 ASN A 18 3.011 2.698 -24.834 1.00 12.35 H new ATOM 288 N GLU A 19 -0.407 -0.460 -21.784 1.00 4.04 N ATOM 289 CA GLU A 19 -1.488 -1.437 -21.826 1.00 32.13 C ATOM 290 C GLU A 19 -2.376 -1.320 -20.590 1.00 3.21 C ATOM 291 O GLU A 19 -3.602 -1.371 -20.686 1.00 11.35 O ATOM 292 CB GLU A 19 -0.921 -2.855 -21.927 1.00 50.41 C ATOM 293 CG GLU A 19 -0.609 -3.285 -23.350 1.00 42.25 C ATOM 294 CD GLU A 19 -1.856 -3.454 -24.196 1.00 12.41 C ATOM 295 OE1 GLU A 19 -2.962 -3.184 -23.683 1.00 33.52 O ATOM 296 OE2 GLU A 19 -1.726 -3.855 -25.371 1.00 44.24 O ATOM 0 H GLU A 19 0.522 -0.864 -21.664 1.00 4.04 H new ATOM 0 HA GLU A 19 -2.094 -1.232 -22.709 1.00 32.13 H new ATOM 0 HB2 GLU A 19 -0.011 -2.917 -21.330 1.00 50.41 H new ATOM 0 HB3 GLU A 19 -1.635 -3.555 -21.493 1.00 50.41 H new ATOM 0 HG2 GLU A 19 0.043 -2.545 -23.814 1.00 42.25 H new ATOM 0 HG3 GLU A 19 -0.059 -4.226 -23.329 1.00 42.25 H new ATOM 303 N PHE A 20 -1.747 -1.163 -19.430 1.00 22.13 N ATOM 304 CA PHE A 20 -2.478 -1.040 -18.174 1.00 72.32 C ATOM 305 C PHE A 20 -3.300 0.245 -18.147 1.00 74.12 C ATOM 306 O PHE A 20 -4.315 0.333 -17.455 1.00 24.34 O ATOM 307 CB PHE A 20 -1.509 -1.064 -16.990 1.00 50.14 C ATOM 308 CG PHE A 20 -0.587 -2.250 -16.994 1.00 51.31 C ATOM 309 CD1 PHE A 20 -1.050 -3.503 -17.362 1.00 13.30 C ATOM 310 CD2 PHE A 20 0.743 -2.111 -16.630 1.00 74.33 C ATOM 311 CE1 PHE A 20 -0.204 -4.596 -17.365 1.00 52.44 C ATOM 312 CE2 PHE A 20 1.594 -3.201 -16.632 1.00 54.42 C ATOM 313 CZ PHE A 20 1.120 -4.444 -17.001 1.00 74.13 C ATOM 0 H PHE A 20 -0.733 -1.118 -19.334 1.00 22.13 H new ATOM 0 HA PHE A 20 -3.158 -1.888 -18.094 1.00 72.32 H new ATOM 0 HB2 PHE A 20 -0.914 -0.151 -16.999 1.00 50.14 H new ATOM 0 HB3 PHE A 20 -2.081 -1.062 -16.062 1.00 50.14 H new ATOM 0 HD1 PHE A 20 -2.084 -3.627 -17.650 1.00 13.30 H new ATOM 0 HD2 PHE A 20 1.119 -1.141 -16.342 1.00 74.33 H new ATOM 0 HE1 PHE A 20 -0.578 -5.568 -17.652 1.00 52.44 H new ATOM 0 HE2 PHE A 20 2.628 -3.080 -16.345 1.00 54.42 H new ATOM 0 HZ PHE A 20 1.783 -5.296 -17.005 1.00 74.13 H new ATOM 323 N LYS A 21 -2.855 1.241 -18.906 1.00 33.13 N ATOM 324 CA LYS A 21 -3.548 2.522 -18.971 1.00 52.10 C ATOM 325 C LYS A 21 -4.737 2.450 -19.924 1.00 60.21 C ATOM 326 O LYS A 21 -5.757 3.104 -19.709 1.00 71.34 O ATOM 327 CB LYS A 21 -2.586 3.623 -19.422 1.00 2.32 C ATOM 328 CG LYS A 21 -3.110 5.027 -19.176 1.00 54.54 C ATOM 329 CD LYS A 21 -2.497 6.028 -20.141 1.00 50.41 C ATOM 330 CE LYS A 21 -1.161 6.547 -19.632 1.00 22.42 C ATOM 331 NZ LYS A 21 -0.755 7.804 -20.319 1.00 12.02 N ATOM 0 H LYS A 21 -2.017 1.185 -19.485 1.00 33.13 H new ATOM 0 HA LYS A 21 -3.918 2.757 -17.973 1.00 52.10 H new ATOM 0 HB2 LYS A 21 -1.637 3.502 -18.899 1.00 2.32 H new ATOM 0 HB3 LYS A 21 -2.381 3.502 -20.486 1.00 2.32 H new ATOM 0 HG2 LYS A 21 -4.195 5.035 -19.282 1.00 54.54 H new ATOM 0 HG3 LYS A 21 -2.888 5.325 -18.151 1.00 54.54 H new ATOM 0 HD2 LYS A 21 -2.359 5.558 -21.115 1.00 50.41 H new ATOM 0 HD3 LYS A 21 -3.182 6.863 -20.284 1.00 50.41 H new ATOM 0 HE2 LYS A 21 -1.226 6.725 -18.559 1.00 22.42 H new ATOM 0 HE3 LYS A 21 -0.395 5.787 -19.784 1.00 22.42 H new ATOM 0 HZ1 LYS A 21 0.160 8.125 -19.944 1.00 12.02 H new ATOM 0 HZ2 LYS A 21 -0.668 7.629 -21.340 1.00 12.02 H new ATOM 0 HZ3 LYS A 21 -1.473 8.538 -20.153 1.00 12.02 H new ATOM 345 N ALA A 22 -4.598 1.650 -20.976 1.00 73.22 N ATOM 346 CA ALA A 22 -5.662 1.490 -21.960 1.00 31.33 C ATOM 347 C ALA A 22 -6.717 0.502 -21.472 1.00 3.33 C ATOM 348 O ALA A 22 -7.909 0.807 -21.463 1.00 20.01 O ATOM 349 CB ALA A 22 -5.085 1.034 -23.292 1.00 33.43 C ATOM 0 H ALA A 22 -3.759 1.103 -21.169 1.00 73.22 H new ATOM 0 HA ALA A 22 -6.144 2.458 -22.098 1.00 31.33 H new ATOM 0 HB1 ALA A 22 -5.891 0.919 -24.017 1.00 33.43 H new ATOM 0 HB2 ALA A 22 -4.374 1.777 -23.654 1.00 33.43 H new ATOM 0 HB3 ALA A 22 -4.576 0.079 -23.160 1.00 33.43 H new ATOM 355 N ALA A 23 -6.270 -0.682 -21.067 1.00 64.12 N ATOM 356 CA ALA A 23 -7.175 -1.714 -20.577 1.00 11.32 C ATOM 357 C ALA A 23 -7.946 -1.231 -19.353 1.00 52.21 C ATOM 358 O ALA A 23 -9.037 -1.722 -19.060 1.00 43.25 O ATOM 359 CB ALA A 23 -6.402 -2.982 -20.249 1.00 23.30 C ATOM 0 H ALA A 23 -5.286 -0.950 -21.069 1.00 64.12 H new ATOM 0 HA ALA A 23 -7.895 -1.935 -21.365 1.00 11.32 H new ATOM 0 HB1 ALA A 23 -7.091 -3.744 -19.884 1.00 23.30 H new ATOM 0 HB2 ALA A 23 -5.901 -3.345 -21.146 1.00 23.30 H new ATOM 0 HB3 ALA A 23 -5.659 -2.767 -19.481 1.00 23.30 H new ATOM 365 N PHE A 24 -7.373 -0.267 -18.641 1.00 2.53 N ATOM 366 CA PHE A 24 -8.006 0.282 -17.447 1.00 20.30 C ATOM 367 C PHE A 24 -9.185 1.176 -17.819 1.00 0.23 C ATOM 368 O PHE A 24 -10.158 1.281 -17.072 1.00 73.21 O ATOM 369 CB PHE A 24 -6.989 1.075 -16.623 1.00 74.21 C ATOM 370 CG PHE A 24 -7.605 1.839 -15.486 1.00 41.32 C ATOM 371 CD1 PHE A 24 -7.854 1.220 -14.272 1.00 75.32 C ATOM 372 CD2 PHE A 24 -7.933 3.177 -15.631 1.00 54.42 C ATOM 373 CE1 PHE A 24 -8.421 1.921 -13.225 1.00 35.22 C ATOM 374 CE2 PHE A 24 -8.500 3.884 -14.587 1.00 73.20 C ATOM 375 CZ PHE A 24 -8.744 3.255 -13.382 1.00 24.31 C ATOM 0 H PHE A 24 -6.471 0.151 -18.870 1.00 2.53 H new ATOM 0 HA PHE A 24 -8.378 -0.549 -16.848 1.00 20.30 H new ATOM 0 HB2 PHE A 24 -6.241 0.389 -16.226 1.00 74.21 H new ATOM 0 HB3 PHE A 24 -6.467 1.772 -17.278 1.00 74.21 H new ATOM 0 HD1 PHE A 24 -7.602 0.178 -14.142 1.00 75.32 H new ATOM 0 HD2 PHE A 24 -7.743 3.674 -16.571 1.00 54.42 H new ATOM 0 HE1 PHE A 24 -8.612 1.426 -12.284 1.00 35.22 H new ATOM 0 HE2 PHE A 24 -8.752 4.927 -14.714 1.00 73.20 H new ATOM 0 HZ PHE A 24 -9.186 3.805 -12.564 1.00 24.31 H new ATOM 385 N ASP A 25 -9.089 1.820 -18.977 1.00 33.41 N ATOM 386 CA ASP A 25 -10.147 2.705 -19.449 1.00 52.42 C ATOM 387 C ASP A 25 -11.426 1.923 -19.730 1.00 72.20 C ATOM 388 O ASP A 25 -12.525 2.371 -19.400 1.00 44.01 O ATOM 389 CB ASP A 25 -9.698 3.443 -20.712 1.00 13.15 C ATOM 390 CG ASP A 25 -10.489 4.714 -20.952 1.00 34.14 C ATOM 391 OD1 ASP A 25 -11.614 4.822 -20.419 1.00 64.13 O ATOM 392 OD2 ASP A 25 -9.985 5.600 -21.673 1.00 4.24 O ATOM 0 H ASP A 25 -8.289 1.746 -19.606 1.00 33.41 H new ATOM 0 HA ASP A 25 -10.353 3.434 -18.665 1.00 52.42 H new ATOM 0 HB2 ASP A 25 -8.639 3.688 -20.629 1.00 13.15 H new ATOM 0 HB3 ASP A 25 -9.806 2.783 -21.573 1.00 13.15 H new ATOM 397 N ILE A 26 -11.276 0.753 -20.342 1.00 24.24 N ATOM 398 CA ILE A 26 -12.419 -0.091 -20.667 1.00 24.44 C ATOM 399 C ILE A 26 -13.100 -0.605 -19.403 1.00 2.14 C ATOM 400 O ILE A 26 -14.325 -0.712 -19.345 1.00 21.15 O ATOM 401 CB ILE A 26 -12.002 -1.292 -21.536 1.00 31.50 C ATOM 402 CG1 ILE A 26 -11.352 -0.809 -22.834 1.00 24.31 C ATOM 403 CG2 ILE A 26 -13.207 -2.172 -21.836 1.00 43.13 C ATOM 404 CD1 ILE A 26 -9.842 -0.897 -22.822 1.00 4.30 C ATOM 0 H ILE A 26 -10.374 0.368 -20.623 1.00 24.24 H new ATOM 0 HA ILE A 26 -13.119 0.528 -21.228 1.00 24.44 H new ATOM 0 HB ILE A 26 -11.272 -1.885 -20.985 1.00 31.50 H new ATOM 0 HG12 ILE A 26 -11.736 -1.401 -23.665 1.00 24.31 H new ATOM 0 HG13 ILE A 26 -11.646 0.225 -23.016 1.00 24.31 H new ATOM 0 HG21 ILE A 26 -12.897 -3.017 -22.451 1.00 43.13 H new ATOM 0 HG22 ILE A 26 -13.631 -2.540 -20.901 1.00 43.13 H new ATOM 0 HG23 ILE A 26 -13.958 -1.591 -22.371 1.00 43.13 H new ATOM 0 HD11 ILE A 26 -9.449 -0.538 -23.773 1.00 4.30 H new ATOM 0 HD12 ILE A 26 -9.448 -0.283 -22.012 1.00 4.30 H new ATOM 0 HD13 ILE A 26 -9.539 -1.933 -22.672 1.00 4.30 H new ATOM 416 N PHE A 27 -12.298 -0.920 -18.391 1.00 44.30 N ATOM 417 CA PHE A 27 -12.823 -1.421 -17.126 1.00 63.45 C ATOM 418 C PHE A 27 -13.699 -0.373 -16.447 1.00 73.14 C ATOM 419 O PHE A 27 -14.845 -0.644 -16.086 1.00 65.53 O ATOM 420 CB PHE A 27 -11.676 -1.823 -16.197 1.00 24.01 C ATOM 421 CG PHE A 27 -11.243 -3.252 -16.362 1.00 1.14 C ATOM 422 CD1 PHE A 27 -10.918 -3.752 -17.612 1.00 51.54 C ATOM 423 CD2 PHE A 27 -11.162 -4.096 -15.265 1.00 44.45 C ATOM 424 CE1 PHE A 27 -10.519 -5.066 -17.767 1.00 52.24 C ATOM 425 CE2 PHE A 27 -10.763 -5.411 -15.414 1.00 40.52 C ATOM 426 CZ PHE A 27 -10.443 -5.897 -16.667 1.00 4.42 C ATOM 0 H PHE A 27 -11.282 -0.837 -18.422 1.00 44.30 H new ATOM 0 HA PHE A 27 -13.435 -2.298 -17.337 1.00 63.45 H new ATOM 0 HB2 PHE A 27 -10.823 -1.170 -16.382 1.00 24.01 H new ATOM 0 HB3 PHE A 27 -11.983 -1.662 -15.164 1.00 24.01 H new ATOM 0 HD1 PHE A 27 -10.977 -3.107 -18.476 1.00 51.54 H new ATOM 0 HD2 PHE A 27 -11.413 -3.722 -14.284 1.00 44.45 H new ATOM 0 HE1 PHE A 27 -10.267 -5.442 -18.747 1.00 52.24 H new ATOM 0 HE2 PHE A 27 -10.701 -6.058 -14.551 1.00 40.52 H new ATOM 0 HZ PHE A 27 -10.134 -6.925 -16.786 1.00 4.42 H new ATOM 436 N VAL A 28 -13.152 0.826 -16.276 1.00 52.23 N ATOM 437 CA VAL A 28 -13.883 1.916 -15.641 1.00 50.32 C ATOM 438 C VAL A 28 -14.755 2.655 -16.651 1.00 4.14 C ATOM 439 O VAL A 28 -15.388 3.660 -16.323 1.00 61.50 O ATOM 440 CB VAL A 28 -12.925 2.921 -14.974 1.00 42.15 C ATOM 441 CG1 VAL A 28 -12.007 2.212 -13.991 1.00 22.42 C ATOM 442 CG2 VAL A 28 -12.118 3.666 -16.027 1.00 40.21 C ATOM 0 H VAL A 28 -12.205 1.067 -16.568 1.00 52.23 H new ATOM 0 HA VAL A 28 -14.518 1.468 -14.876 1.00 50.32 H new ATOM 0 HB VAL A 28 -13.518 3.649 -14.420 1.00 42.15 H new ATOM 0 HG11 VAL A 28 -11.338 2.938 -13.530 1.00 22.42 H new ATOM 0 HG12 VAL A 28 -12.605 1.728 -13.219 1.00 22.42 H new ATOM 0 HG13 VAL A 28 -11.419 1.461 -14.519 1.00 22.42 H new ATOM 0 HG21 VAL A 28 -11.446 4.372 -15.539 1.00 40.21 H new ATOM 0 HG22 VAL A 28 -11.534 2.953 -16.610 1.00 40.21 H new ATOM 0 HG23 VAL A 28 -12.795 4.207 -16.688 1.00 40.21 H new ATOM 452 N LEU A 29 -14.783 2.151 -17.879 1.00 53.44 N ATOM 453 CA LEU A 29 -15.578 2.763 -18.939 1.00 35.14 C ATOM 454 C LEU A 29 -17.065 2.717 -18.599 1.00 42.21 C ATOM 455 O LEU A 29 -17.860 3.484 -19.141 1.00 62.34 O ATOM 456 CB LEU A 29 -15.325 2.051 -20.269 1.00 14.41 C ATOM 457 CG LEU A 29 -16.467 1.178 -20.791 1.00 11.41 C ATOM 458 CD1 LEU A 29 -17.445 2.010 -21.606 1.00 13.10 C ATOM 459 CD2 LEU A 29 -15.921 0.027 -21.623 1.00 2.22 C ATOM 0 H LEU A 29 -14.265 1.321 -18.166 1.00 53.44 H new ATOM 0 HA LEU A 29 -15.277 3.807 -19.030 1.00 35.14 H new ATOM 0 HB2 LEU A 29 -15.096 2.804 -21.023 1.00 14.41 H new ATOM 0 HB3 LEU A 29 -14.438 1.427 -20.161 1.00 14.41 H new ATOM 0 HG LEU A 29 -17.000 0.761 -19.936 1.00 11.41 H new ATOM 0 HD11 LEU A 29 -18.251 1.372 -21.969 1.00 13.10 H new ATOM 0 HD12 LEU A 29 -17.861 2.799 -20.980 1.00 13.10 H new ATOM 0 HD13 LEU A 29 -16.925 2.456 -22.454 1.00 13.10 H new ATOM 0 HD21 LEU A 29 -16.748 -0.584 -21.986 1.00 2.22 H new ATOM 0 HD22 LEU A 29 -15.363 0.424 -22.471 1.00 2.22 H new ATOM 0 HD23 LEU A 29 -15.261 -0.585 -21.009 1.00 2.22 H new ATOM 471 N GLY A 30 -17.433 1.814 -17.696 1.00 21.34 N ATOM 472 CA GLY A 30 -18.823 1.686 -17.298 1.00 3.24 C ATOM 473 C GLY A 30 -19.162 2.543 -16.094 1.00 50.02 C ATOM 474 O GLY A 30 -20.326 2.872 -15.866 1.00 42.04 O ATOM 0 H GLY A 30 -16.794 1.168 -17.233 1.00 21.34 H new ATOM 0 HA2 GLY A 30 -19.464 1.968 -18.133 1.00 3.24 H new ATOM 0 HA3 GLY A 30 -19.038 0.642 -17.069 1.00 3.24 H new ATOM 478 N ALA A 31 -18.143 2.904 -15.321 1.00 14.13 N ATOM 479 CA ALA A 31 -18.340 3.728 -14.134 1.00 63.03 C ATOM 480 C ALA A 31 -18.632 5.176 -14.514 1.00 32.35 C ATOM 481 O ALA A 31 -18.682 5.519 -15.694 1.00 42.21 O ATOM 482 CB ALA A 31 -17.117 3.653 -13.232 1.00 0.42 C ATOM 0 H ALA A 31 -17.173 2.639 -15.495 1.00 14.13 H new ATOM 0 HA ALA A 31 -19.203 3.341 -13.591 1.00 63.03 H new ATOM 0 HB1 ALA A 31 -17.277 4.273 -12.350 1.00 0.42 H new ATOM 0 HB2 ALA A 31 -16.954 2.620 -12.925 1.00 0.42 H new ATOM 0 HB3 ALA A 31 -16.242 4.013 -13.774 1.00 0.42 H new ATOM 488 N GLU A 32 -18.826 6.019 -13.505 1.00 3.54 N ATOM 489 CA GLU A 32 -19.115 7.430 -13.734 1.00 51.12 C ATOM 490 C GLU A 32 -17.909 8.297 -13.383 1.00 73.01 C ATOM 491 O GLU A 32 -17.584 9.246 -14.097 1.00 75.22 O ATOM 492 CB GLU A 32 -20.328 7.866 -12.909 1.00 63.21 C ATOM 493 CG GLU A 32 -21.659 7.525 -13.557 1.00 31.40 C ATOM 494 CD GLU A 32 -22.015 8.468 -14.690 1.00 35.25 C ATOM 495 OE1 GLU A 32 -22.194 9.675 -14.423 1.00 72.44 O ATOM 496 OE2 GLU A 32 -22.115 7.998 -15.843 1.00 13.34 O ATOM 0 H GLU A 32 -18.788 5.750 -12.522 1.00 3.54 H new ATOM 0 HA GLU A 32 -19.339 7.561 -14.793 1.00 51.12 H new ATOM 0 HB2 GLU A 32 -20.279 7.393 -11.928 1.00 63.21 H new ATOM 0 HB3 GLU A 32 -20.278 8.943 -12.746 1.00 63.21 H new ATOM 0 HG2 GLU A 32 -21.623 6.504 -13.937 1.00 31.40 H new ATOM 0 HG3 GLU A 32 -22.445 7.557 -12.802 1.00 31.40 H new ATOM 503 N ASP A 33 -17.250 7.964 -12.279 1.00 15.13 N ATOM 504 CA ASP A 33 -16.080 8.711 -11.832 1.00 33.11 C ATOM 505 C ASP A 33 -14.800 8.100 -12.392 1.00 45.54 C ATOM 506 O ASP A 33 -13.834 8.809 -12.674 1.00 23.42 O ATOM 507 CB ASP A 33 -16.020 8.740 -10.304 1.00 30.21 C ATOM 508 CG ASP A 33 -15.180 9.887 -9.779 1.00 44.32 C ATOM 509 OD1 ASP A 33 -15.241 10.986 -10.370 1.00 4.33 O ATOM 510 OD2 ASP A 33 -14.462 9.687 -8.778 1.00 24.33 O ATOM 0 H ASP A 33 -17.506 7.182 -11.677 1.00 15.13 H new ATOM 0 HA ASP A 33 -16.167 9.732 -12.204 1.00 33.11 H new ATOM 0 HB2 ASP A 33 -17.031 8.822 -9.905 1.00 30.21 H new ATOM 0 HB3 ASP A 33 -15.610 7.797 -9.942 1.00 30.21 H new ATOM 515 N GLY A 34 -14.799 6.780 -12.551 1.00 51.30 N ATOM 516 CA GLY A 34 -13.631 6.097 -13.076 1.00 35.41 C ATOM 517 C GLY A 34 -13.020 5.140 -12.072 1.00 20.41 C ATOM 518 O GLY A 34 -11.847 5.265 -11.719 1.00 44.54 O ATOM 0 H GLY A 34 -15.586 6.172 -12.326 1.00 51.30 H new ATOM 0 HA2 GLY A 34 -13.909 5.547 -13.975 1.00 35.41 H new ATOM 0 HA3 GLY A 34 -12.885 6.834 -13.371 1.00 35.41 H new ATOM 522 N CYS A 35 -13.816 4.182 -11.609 1.00 42.13 N ATOM 523 CA CYS A 35 -13.346 3.201 -10.637 1.00 75.13 C ATOM 524 C CYS A 35 -13.994 1.842 -10.881 1.00 62.41 C ATOM 525 O CYS A 35 -14.872 1.705 -11.733 1.00 41.25 O ATOM 526 CB CYS A 35 -13.649 3.676 -9.215 1.00 60.24 C ATOM 527 SG CYS A 35 -15.412 3.741 -8.818 1.00 42.44 S ATOM 0 H CYS A 35 -14.789 4.064 -11.891 1.00 42.13 H new ATOM 0 HA CYS A 35 -12.268 3.096 -10.755 1.00 75.13 H new ATOM 0 HB2 CYS A 35 -13.153 3.011 -8.508 1.00 60.24 H new ATOM 0 HB3 CYS A 35 -13.219 4.668 -9.076 1.00 60.24 H new ATOM 0 HG CYS A 35 -15.566 4.152 -7.594 1.00 42.44 H new ATOM 533 N ILE A 36 -13.553 0.839 -10.129 1.00 33.04 N ATOM 534 CA ILE A 36 -14.090 -0.510 -10.264 1.00 5.34 C ATOM 535 C ILE A 36 -14.448 -1.098 -8.903 1.00 4.31 C ATOM 536 O ILE A 36 -13.580 -1.291 -8.051 1.00 13.51 O ATOM 537 CB ILE A 36 -13.089 -1.445 -10.967 1.00 71.45 C ATOM 538 CG1 ILE A 36 -12.761 -0.918 -12.366 1.00 1.02 C ATOM 539 CG2 ILE A 36 -13.650 -2.857 -11.046 1.00 61.53 C ATOM 540 CD1 ILE A 36 -11.303 -1.068 -12.741 1.00 53.24 C ATOM 0 H ILE A 36 -12.826 0.935 -9.420 1.00 33.04 H new ATOM 0 HA ILE A 36 -14.991 -0.432 -10.872 1.00 5.34 H new ATOM 0 HB ILE A 36 -12.168 -1.472 -10.384 1.00 71.45 H new ATOM 0 HG12 ILE A 36 -13.372 -1.447 -13.097 1.00 1.02 H new ATOM 0 HG13 ILE A 36 -13.036 0.135 -12.423 1.00 1.02 H new ATOM 0 HG21 ILE A 36 -12.931 -3.507 -11.545 1.00 61.53 H new ATOM 0 HG22 ILE A 36 -13.838 -3.230 -10.039 1.00 61.53 H new ATOM 0 HG23 ILE A 36 -14.583 -2.847 -11.610 1.00 61.53 H new ATOM 0 HD11 ILE A 36 -11.143 -0.674 -13.745 1.00 53.24 H new ATOM 0 HD12 ILE A 36 -10.686 -0.516 -12.032 1.00 53.24 H new ATOM 0 HD13 ILE A 36 -11.028 -2.122 -12.717 1.00 53.24 H new ATOM 552 N SER A 37 -15.731 -1.382 -8.707 1.00 20.34 N ATOM 553 CA SER A 37 -16.205 -1.947 -7.448 1.00 41.14 C ATOM 554 C SER A 37 -16.141 -3.471 -7.479 1.00 2.04 C ATOM 555 O SER A 37 -16.321 -4.092 -8.527 1.00 14.23 O ATOM 556 CB SER A 37 -17.638 -1.491 -7.168 1.00 52.02 C ATOM 557 OG SER A 37 -18.310 -2.410 -6.324 1.00 41.02 O ATOM 0 H SER A 37 -16.461 -1.231 -9.403 1.00 20.34 H new ATOM 0 HA SER A 37 -15.555 -1.589 -6.650 1.00 41.14 H new ATOM 0 HB2 SER A 37 -17.625 -0.506 -6.701 1.00 52.02 H new ATOM 0 HB3 SER A 37 -18.181 -1.391 -8.108 1.00 52.02 H new ATOM 0 HG SER A 37 -19.223 -2.095 -6.159 1.00 41.02 H new ATOM 563 N THR A 38 -15.882 -4.069 -6.320 1.00 22.21 N ATOM 564 CA THR A 38 -15.792 -5.520 -6.212 1.00 12.21 C ATOM 565 C THR A 38 -17.002 -6.194 -6.848 1.00 71.31 C ATOM 566 O THR A 38 -16.910 -7.316 -7.348 1.00 43.41 O ATOM 567 CB THR A 38 -15.683 -5.968 -4.742 1.00 65.13 C ATOM 568 OG1 THR A 38 -15.964 -7.368 -4.635 1.00 23.02 O ATOM 569 CG2 THR A 38 -16.645 -5.183 -3.864 1.00 33.41 C ATOM 0 H THR A 38 -15.731 -3.571 -5.443 1.00 22.21 H new ATOM 0 HA THR A 38 -14.890 -5.822 -6.744 1.00 12.21 H new ATOM 0 HB THR A 38 -14.666 -5.775 -4.401 1.00 65.13 H new ATOM 0 HG1 THR A 38 -16.499 -7.534 -3.831 1.00 23.02 H new ATOM 0 HG21 THR A 38 -16.550 -5.517 -2.831 1.00 33.41 H new ATOM 0 HG22 THR A 38 -16.409 -4.121 -3.925 1.00 33.41 H new ATOM 0 HG23 THR A 38 -17.667 -5.348 -4.206 1.00 33.41 H new ATOM 577 N LYS A 39 -18.137 -5.504 -6.827 1.00 34.30 N ATOM 578 CA LYS A 39 -19.367 -6.035 -7.404 1.00 21.24 C ATOM 579 C LYS A 39 -19.252 -6.148 -8.920 1.00 52.45 C ATOM 580 O LYS A 39 -19.566 -7.187 -9.500 1.00 14.32 O ATOM 581 CB LYS A 39 -20.554 -5.142 -7.036 1.00 70.11 C ATOM 582 CG LYS A 39 -21.901 -5.737 -7.408 1.00 70.31 C ATOM 583 CD LYS A 39 -23.046 -4.969 -6.769 1.00 42.24 C ATOM 584 CE LYS A 39 -23.091 -3.529 -7.257 1.00 1.21 C ATOM 585 NZ LYS A 39 -24.192 -2.760 -6.614 1.00 1.43 N ATOM 0 H LYS A 39 -18.231 -4.575 -6.416 1.00 34.30 H new ATOM 0 HA LYS A 39 -19.530 -7.032 -6.995 1.00 21.24 H new ATOM 0 HB2 LYS A 39 -20.535 -4.950 -5.963 1.00 70.11 H new ATOM 0 HB3 LYS A 39 -20.442 -4.179 -7.534 1.00 70.11 H new ATOM 0 HG2 LYS A 39 -22.016 -5.729 -8.492 1.00 70.31 H new ATOM 0 HG3 LYS A 39 -21.939 -6.779 -7.091 1.00 70.31 H new ATOM 0 HD2 LYS A 39 -23.990 -5.462 -7.000 1.00 42.24 H new ATOM 0 HD3 LYS A 39 -22.935 -4.984 -5.685 1.00 42.24 H new ATOM 0 HE2 LYS A 39 -22.138 -3.044 -7.046 1.00 1.21 H new ATOM 0 HE3 LYS A 39 -23.223 -3.516 -8.339 1.00 1.21 H new ATOM 0 HZ1 LYS A 39 -24.189 -1.784 -6.973 1.00 1.43 H new ATOM 0 HZ2 LYS A 39 -25.104 -3.208 -6.836 1.00 1.43 H new ATOM 0 HZ3 LYS A 39 -24.053 -2.750 -5.583 1.00 1.43 H new ATOM 599 N GLU A 40 -18.799 -5.072 -9.557 1.00 1.14 N ATOM 600 CA GLU A 40 -18.642 -5.052 -11.006 1.00 54.12 C ATOM 601 C GLU A 40 -17.416 -5.854 -11.432 1.00 73.22 C ATOM 602 O GLU A 40 -17.393 -6.449 -12.511 1.00 11.41 O ATOM 603 CB GLU A 40 -18.523 -3.612 -11.509 1.00 1.43 C ATOM 604 CG GLU A 40 -19.543 -2.667 -10.896 1.00 41.50 C ATOM 605 CD GLU A 40 -20.950 -3.232 -10.919 1.00 43.24 C ATOM 606 OE1 GLU A 40 -21.297 -3.996 -9.994 1.00 43.04 O ATOM 607 OE2 GLU A 40 -21.703 -2.911 -11.862 1.00 12.32 O ATOM 0 H GLU A 40 -18.535 -4.204 -9.092 1.00 1.14 H new ATOM 0 HA GLU A 40 -19.526 -5.511 -11.447 1.00 54.12 H new ATOM 0 HB2 GLU A 40 -17.521 -3.242 -11.292 1.00 1.43 H new ATOM 0 HB3 GLU A 40 -18.638 -3.604 -12.593 1.00 1.43 H new ATOM 0 HG2 GLU A 40 -19.259 -2.451 -9.866 1.00 41.50 H new ATOM 0 HG3 GLU A 40 -19.527 -1.721 -11.437 1.00 41.50 H new ATOM 614 N LEU A 41 -16.399 -5.866 -10.578 1.00 63.14 N ATOM 615 CA LEU A 41 -15.168 -6.595 -10.865 1.00 42.43 C ATOM 616 C LEU A 41 -15.448 -8.081 -11.062 1.00 20.03 C ATOM 617 O LEU A 41 -14.712 -8.775 -11.762 1.00 5.24 O ATOM 618 CB LEU A 41 -14.160 -6.399 -9.731 1.00 33.51 C ATOM 619 CG LEU A 41 -12.866 -7.208 -9.836 1.00 14.51 C ATOM 620 CD1 LEU A 41 -12.306 -7.137 -11.248 1.00 72.00 C ATOM 621 CD2 LEU A 41 -11.842 -6.707 -8.828 1.00 62.22 C ATOM 0 H LEU A 41 -16.402 -5.380 -9.681 1.00 63.14 H new ATOM 0 HA LEU A 41 -14.747 -6.199 -11.789 1.00 42.43 H new ATOM 0 HB2 LEU A 41 -13.901 -5.341 -9.681 1.00 33.51 H new ATOM 0 HB3 LEU A 41 -14.648 -6.652 -8.790 1.00 33.51 H new ATOM 0 HG LEU A 41 -13.091 -8.250 -9.609 1.00 14.51 H new ATOM 0 HD11 LEU A 41 -11.386 -7.718 -11.304 1.00 72.00 H new ATOM 0 HD12 LEU A 41 -13.035 -7.543 -11.949 1.00 72.00 H new ATOM 0 HD13 LEU A 41 -12.096 -6.099 -11.504 1.00 72.00 H new ATOM 0 HD21 LEU A 41 -10.927 -7.293 -8.916 1.00 62.22 H new ATOM 0 HD22 LEU A 41 -11.621 -5.658 -9.025 1.00 62.22 H new ATOM 0 HD23 LEU A 41 -12.243 -6.810 -7.820 1.00 62.22 H new ATOM 633 N GLY A 42 -16.520 -8.563 -10.440 1.00 61.41 N ATOM 634 CA GLY A 42 -16.880 -9.964 -10.561 1.00 61.00 C ATOM 635 C GLY A 42 -17.415 -10.308 -11.937 1.00 31.42 C ATOM 636 O GLY A 42 -17.208 -11.416 -12.433 1.00 21.12 O ATOM 0 H GLY A 42 -17.145 -8.009 -9.855 1.00 61.41 H new ATOM 0 HA2 GLY A 42 -16.006 -10.580 -10.350 1.00 61.00 H new ATOM 0 HA3 GLY A 42 -17.632 -10.209 -9.811 1.00 61.00 H new ATOM 640 N LYS A 43 -18.107 -9.358 -12.555 1.00 74.05 N ATOM 641 CA LYS A 43 -18.675 -9.565 -13.882 1.00 72.14 C ATOM 642 C LYS A 43 -17.577 -9.820 -14.910 1.00 73.32 C ATOM 643 O LYS A 43 -17.662 -10.757 -15.705 1.00 15.22 O ATOM 644 CB LYS A 43 -19.506 -8.350 -14.299 1.00 53.44 C ATOM 645 CG LYS A 43 -21.002 -8.547 -14.125 1.00 12.21 C ATOM 646 CD LYS A 43 -21.789 -7.384 -14.705 1.00 74.15 C ATOM 647 CE LYS A 43 -22.266 -6.435 -13.617 1.00 34.02 C ATOM 648 NZ LYS A 43 -21.496 -5.160 -13.616 1.00 33.55 N ATOM 0 H LYS A 43 -18.288 -8.436 -12.158 1.00 74.05 H new ATOM 0 HA LYS A 43 -19.321 -10.442 -13.840 1.00 72.14 H new ATOM 0 HB2 LYS A 43 -19.191 -7.487 -13.713 1.00 53.44 H new ATOM 0 HB3 LYS A 43 -19.298 -8.119 -15.344 1.00 53.44 H new ATOM 0 HG2 LYS A 43 -21.307 -9.473 -14.613 1.00 12.21 H new ATOM 0 HG3 LYS A 43 -21.235 -8.653 -13.065 1.00 12.21 H new ATOM 0 HD2 LYS A 43 -21.166 -6.841 -15.416 1.00 74.15 H new ATOM 0 HD3 LYS A 43 -22.647 -7.765 -15.259 1.00 74.15 H new ATOM 0 HE2 LYS A 43 -23.325 -6.220 -13.761 1.00 34.02 H new ATOM 0 HE3 LYS A 43 -22.169 -6.919 -12.645 1.00 34.02 H new ATOM 0 HZ1 LYS A 43 -21.895 -4.514 -12.906 1.00 33.55 H new ATOM 0 HZ2 LYS A 43 -20.501 -5.356 -13.386 1.00 33.55 H new ATOM 0 HZ3 LYS A 43 -21.554 -4.719 -14.556 1.00 33.55 H new ATOM 662 N VAL A 44 -16.546 -8.982 -14.888 1.00 62.22 N ATOM 663 CA VAL A 44 -15.430 -9.119 -15.816 1.00 42.24 C ATOM 664 C VAL A 44 -14.828 -10.518 -15.750 1.00 2.13 C ATOM 665 O VAL A 44 -14.230 -10.994 -16.714 1.00 42.33 O ATOM 666 CB VAL A 44 -14.327 -8.083 -15.525 1.00 75.21 C ATOM 667 CG1 VAL A 44 -13.120 -8.322 -16.419 1.00 32.51 C ATOM 668 CG2 VAL A 44 -14.863 -6.671 -15.705 1.00 50.23 C ATOM 0 H VAL A 44 -16.460 -8.201 -14.238 1.00 62.22 H new ATOM 0 HA VAL A 44 -15.827 -8.945 -16.816 1.00 42.24 H new ATOM 0 HB VAL A 44 -14.009 -8.198 -14.489 1.00 75.21 H new ATOM 0 HG11 VAL A 44 -12.352 -7.581 -16.199 1.00 32.51 H new ATOM 0 HG12 VAL A 44 -12.724 -9.321 -16.236 1.00 32.51 H new ATOM 0 HG13 VAL A 44 -13.418 -8.236 -17.464 1.00 32.51 H new ATOM 0 HG21 VAL A 44 -14.071 -5.952 -15.496 1.00 50.23 H new ATOM 0 HG22 VAL A 44 -15.209 -6.541 -16.730 1.00 50.23 H new ATOM 0 HG23 VAL A 44 -15.693 -6.507 -15.018 1.00 50.23 H new ATOM 678 N MET A 45 -14.991 -11.172 -14.605 1.00 24.25 N ATOM 679 CA MET A 45 -14.464 -12.519 -14.413 1.00 13.34 C ATOM 680 C MET A 45 -15.202 -13.521 -15.295 1.00 24.44 C ATOM 681 O MET A 45 -14.638 -14.538 -15.699 1.00 62.15 O ATOM 682 CB MET A 45 -14.582 -12.931 -12.944 1.00 3.31 C ATOM 683 CG MET A 45 -14.169 -11.838 -11.971 1.00 51.33 C ATOM 684 SD MET A 45 -12.532 -11.172 -12.329 1.00 10.25 S ATOM 685 CE MET A 45 -11.633 -12.672 -12.714 1.00 70.22 C ATOM 0 H MET A 45 -15.483 -10.792 -13.796 1.00 24.25 H new ATOM 0 HA MET A 45 -13.412 -12.516 -14.698 1.00 13.34 H new ATOM 0 HB2 MET A 45 -15.613 -13.219 -12.738 1.00 3.31 H new ATOM 0 HB3 MET A 45 -13.964 -13.812 -12.772 1.00 3.31 H new ATOM 0 HG2 MET A 45 -14.901 -11.031 -12.005 1.00 51.33 H new ATOM 0 HG3 MET A 45 -14.181 -12.236 -10.957 1.00 51.33 H new ATOM 0 HE1 MET A 45 -10.563 -12.492 -12.609 1.00 70.22 H new ATOM 0 HE2 MET A 45 -11.937 -13.464 -12.030 1.00 70.22 H new ATOM 0 HE3 MET A 45 -11.851 -12.974 -13.738 1.00 70.22 H new ATOM 695 N ARG A 46 -16.464 -13.228 -15.588 1.00 33.30 N ATOM 696 CA ARG A 46 -17.278 -14.105 -16.421 1.00 35.44 C ATOM 697 C ARG A 46 -16.767 -14.119 -17.858 1.00 53.02 C ATOM 698 O ARG A 46 -16.686 -15.173 -18.488 1.00 40.24 O ATOM 699 CB ARG A 46 -18.741 -13.658 -16.392 1.00 40.43 C ATOM 700 CG ARG A 46 -19.114 -12.723 -17.531 1.00 42.41 C ATOM 701 CD ARG A 46 -20.544 -12.223 -17.397 1.00 21.34 C ATOM 702 NE ARG A 46 -21.076 -11.739 -18.667 1.00 53.23 N ATOM 703 CZ ARG A 46 -22.192 -11.025 -18.772 1.00 61.45 C ATOM 704 NH1 ARG A 46 -22.889 -10.715 -17.688 1.00 42.22 N ATOM 705 NH2 ARG A 46 -22.612 -10.621 -19.964 1.00 51.42 N ATOM 0 H ARG A 46 -16.945 -12.390 -15.261 1.00 33.30 H new ATOM 0 HA ARG A 46 -17.206 -15.116 -16.019 1.00 35.44 H new ATOM 0 HB2 ARG A 46 -19.382 -14.539 -16.431 1.00 40.43 H new ATOM 0 HB3 ARG A 46 -18.941 -13.160 -15.443 1.00 40.43 H new ATOM 0 HG2 ARG A 46 -18.431 -11.874 -17.545 1.00 42.41 H new ATOM 0 HG3 ARG A 46 -18.997 -13.242 -18.482 1.00 42.41 H new ATOM 0 HD2 ARG A 46 -21.176 -13.028 -17.023 1.00 21.34 H new ATOM 0 HD3 ARG A 46 -20.580 -11.421 -16.660 1.00 21.34 H new ATOM 0 HE ARG A 46 -20.563 -11.961 -19.520 1.00 53.23 H new ATOM 0 HH11 ARG A 46 -22.569 -11.025 -16.770 1.00 42.22 H new ATOM 0 HH12 ARG A 46 -23.745 -10.167 -17.772 1.00 42.22 H new ATOM 0 HH21 ARG A 46 -22.078 -10.858 -20.800 1.00 51.42 H new ATOM 0 HH22 ARG A 46 -23.469 -10.073 -20.044 1.00 51.42 H new ATOM 719 N MET A 47 -16.425 -12.941 -18.370 1.00 64.31 N ATOM 720 CA MET A 47 -15.921 -12.818 -19.733 1.00 62.30 C ATOM 721 C MET A 47 -14.510 -13.387 -19.844 1.00 62.24 C ATOM 722 O MET A 47 -14.079 -13.800 -20.922 1.00 74.31 O ATOM 723 CB MET A 47 -15.928 -11.353 -20.172 1.00 54.21 C ATOM 724 CG MET A 47 -14.963 -10.478 -19.388 1.00 74.40 C ATOM 725 SD MET A 47 -14.479 -8.995 -20.292 1.00 22.33 S ATOM 726 CE MET A 47 -15.827 -7.891 -19.878 1.00 71.23 C ATOM 0 H MET A 47 -16.488 -12.059 -17.862 1.00 64.31 H new ATOM 0 HA MET A 47 -16.577 -13.390 -20.389 1.00 62.30 H new ATOM 0 HB2 MET A 47 -15.676 -11.299 -21.231 1.00 54.21 H new ATOM 0 HB3 MET A 47 -16.937 -10.955 -20.063 1.00 54.21 H new ATOM 0 HG2 MET A 47 -15.426 -10.189 -18.444 1.00 74.40 H new ATOM 0 HG3 MET A 47 -14.072 -11.056 -19.142 1.00 74.40 H new ATOM 0 HE1 MET A 47 -15.699 -6.946 -20.407 1.00 71.23 H new ATOM 0 HE2 MET A 47 -16.773 -8.346 -20.172 1.00 71.23 H new ATOM 0 HE3 MET A 47 -15.830 -7.708 -18.803 1.00 71.23 H new ATOM 736 N LEU A 48 -13.794 -13.406 -18.725 1.00 52.44 N ATOM 737 CA LEU A 48 -12.431 -13.924 -18.698 1.00 21.04 C ATOM 738 C LEU A 48 -12.428 -15.449 -18.722 1.00 23.24 C ATOM 739 O LEU A 48 -11.461 -16.071 -19.159 1.00 62.25 O ATOM 740 CB LEU A 48 -11.698 -13.421 -17.453 1.00 12.33 C ATOM 741 CG LEU A 48 -10.731 -12.256 -17.668 1.00 61.20 C ATOM 742 CD1 LEU A 48 -11.431 -11.104 -18.372 1.00 0.14 C ATOM 743 CD2 LEU A 48 -10.146 -11.797 -16.341 1.00 3.54 C ATOM 0 H LEU A 48 -14.135 -13.069 -17.825 1.00 52.44 H new ATOM 0 HA LEU A 48 -11.914 -13.564 -19.587 1.00 21.04 H new ATOM 0 HB2 LEU A 48 -12.442 -13.118 -16.716 1.00 12.33 H new ATOM 0 HB3 LEU A 48 -11.142 -14.254 -17.022 1.00 12.33 H new ATOM 0 HG LEU A 48 -9.914 -12.599 -18.303 1.00 61.20 H new ATOM 0 HD11 LEU A 48 -10.727 -10.284 -18.516 1.00 0.14 H new ATOM 0 HD12 LEU A 48 -11.800 -11.440 -19.341 1.00 0.14 H new ATOM 0 HD13 LEU A 48 -12.268 -10.761 -17.764 1.00 0.14 H new ATOM 0 HD21 LEU A 48 -9.460 -10.967 -16.513 1.00 3.54 H new ATOM 0 HD22 LEU A 48 -10.951 -11.472 -15.682 1.00 3.54 H new ATOM 0 HD23 LEU A 48 -9.607 -12.623 -15.876 1.00 3.54 H new ATOM 755 N GLY A 49 -13.518 -16.046 -18.249 1.00 51.14 N ATOM 756 CA GLY A 49 -13.621 -17.493 -18.228 1.00 32.32 C ATOM 757 C GLY A 49 -13.574 -18.057 -16.821 1.00 51.15 C ATOM 758 O GLY A 49 -13.254 -19.229 -16.627 1.00 24.01 O ATOM 0 H GLY A 49 -14.331 -15.553 -17.880 1.00 51.14 H new ATOM 0 HA2 GLY A 49 -14.553 -17.795 -18.706 1.00 32.32 H new ATOM 0 HA3 GLY A 49 -12.808 -17.921 -18.815 1.00 32.32 H new ATOM 762 N GLN A 50 -13.893 -17.220 -15.839 1.00 63.12 N ATOM 763 CA GLN A 50 -13.883 -17.642 -14.444 1.00 22.05 C ATOM 764 C GLN A 50 -15.156 -17.198 -13.731 1.00 52.15 C ATOM 765 O GLN A 50 -15.780 -16.209 -14.114 1.00 2.22 O ATOM 766 CB GLN A 50 -12.658 -17.073 -13.725 1.00 41.15 C ATOM 767 CG GLN A 50 -11.607 -18.120 -13.392 1.00 14.23 C ATOM 768 CD GLN A 50 -10.904 -17.843 -12.078 1.00 10.43 C ATOM 769 OE1 GLN A 50 -11.221 -18.445 -11.052 1.00 23.15 O ATOM 770 NE2 GLN A 50 -9.943 -16.927 -12.102 1.00 40.41 N ATOM 0 H GLN A 50 -14.161 -16.247 -15.984 1.00 63.12 H new ATOM 0 HA GLN A 50 -13.836 -18.731 -14.421 1.00 22.05 H new ATOM 0 HB2 GLN A 50 -12.206 -16.302 -14.349 1.00 41.15 H new ATOM 0 HB3 GLN A 50 -12.981 -16.588 -12.804 1.00 41.15 H new ATOM 0 HG2 GLN A 50 -12.079 -19.102 -13.348 1.00 14.23 H new ATOM 0 HG3 GLN A 50 -10.869 -18.157 -14.194 1.00 14.23 H new ATOM 0 HE21 GLN A 50 -9.713 -16.452 -12.975 1.00 40.41 H new ATOM 0 HE22 GLN A 50 -9.435 -16.698 -11.248 1.00 40.41 H new ATOM 779 N ASN A 51 -15.537 -17.937 -12.694 1.00 44.51 N ATOM 780 CA ASN A 51 -16.737 -17.619 -11.929 1.00 22.01 C ATOM 781 C ASN A 51 -16.530 -17.913 -10.446 1.00 52.01 C ATOM 782 O ASN A 51 -17.186 -18.775 -9.861 1.00 72.45 O ATOM 783 CB ASN A 51 -17.930 -18.418 -12.457 1.00 40.13 C ATOM 784 CG ASN A 51 -17.893 -18.583 -13.964 1.00 71.53 C ATOM 785 OD1 ASN A 51 -17.122 -19.384 -14.493 1.00 43.12 O ATOM 786 ND2 ASN A 51 -18.729 -17.825 -14.663 1.00 53.23 N ATOM 0 H ASN A 51 -15.032 -18.760 -12.364 1.00 44.51 H new ATOM 0 HA ASN A 51 -16.941 -16.555 -12.045 1.00 22.01 H new ATOM 0 HB2 ASN A 51 -17.942 -19.401 -11.987 1.00 40.13 H new ATOM 0 HB3 ASN A 51 -18.855 -17.917 -12.172 1.00 40.13 H new ATOM 0 HD21 ASN A 51 -18.750 -17.893 -15.681 1.00 53.23 H new ATOM 0 HD22 ASN A 51 -19.351 -17.175 -14.183 1.00 53.23 H new ATOM 793 N PRO A 52 -15.597 -17.179 -9.822 1.00 20.21 N ATOM 794 CA PRO A 52 -15.283 -17.342 -8.399 1.00 62.03 C ATOM 795 C PRO A 52 -16.411 -16.854 -7.497 1.00 2.41 C ATOM 796 O PRO A 52 -17.476 -16.460 -7.974 1.00 2.22 O ATOM 797 CB PRO A 52 -14.034 -16.477 -8.211 1.00 12.15 C ATOM 798 CG PRO A 52 -14.116 -15.453 -9.290 1.00 21.31 C ATOM 799 CD PRO A 52 -14.777 -16.134 -10.457 1.00 10.34 C ATOM 0 HA PRO A 52 -15.138 -18.388 -8.130 1.00 62.03 H new ATOM 0 HB2 PRO A 52 -14.019 -16.013 -7.225 1.00 12.15 H new ATOM 0 HB3 PRO A 52 -13.124 -17.071 -8.298 1.00 12.15 H new ATOM 0 HG2 PRO A 52 -14.694 -14.588 -8.964 1.00 21.31 H new ATOM 0 HG3 PRO A 52 -13.124 -15.090 -9.560 1.00 21.31 H new ATOM 0 HD2 PRO A 52 -15.387 -15.440 -11.034 1.00 10.34 H new ATOM 0 HD3 PRO A 52 -14.044 -16.559 -11.142 1.00 10.34 H new ATOM 807 N THR A 53 -16.171 -16.881 -6.190 1.00 3.15 N ATOM 808 CA THR A 53 -17.166 -16.442 -5.220 1.00 55.33 C ATOM 809 C THR A 53 -17.333 -14.927 -5.251 1.00 4.32 C ATOM 810 O THR A 53 -16.469 -14.193 -5.733 1.00 14.13 O ATOM 811 CB THR A 53 -16.790 -16.877 -3.791 1.00 41.25 C ATOM 812 OG1 THR A 53 -15.366 -16.948 -3.660 1.00 43.43 O ATOM 813 CG2 THR A 53 -17.403 -18.229 -3.458 1.00 42.42 C ATOM 0 H THR A 53 -15.295 -17.203 -5.779 1.00 3.15 H new ATOM 0 HA THR A 53 -18.108 -16.915 -5.499 1.00 55.33 H new ATOM 0 HB THR A 53 -17.182 -16.137 -3.094 1.00 41.25 H new ATOM 0 HG1 THR A 53 -15.137 -17.373 -2.807 1.00 43.43 H new ATOM 0 HG21 THR A 53 -17.124 -18.515 -2.444 1.00 42.42 H new ATOM 0 HG22 THR A 53 -18.489 -18.164 -3.531 1.00 42.42 H new ATOM 0 HG23 THR A 53 -17.036 -18.978 -4.160 1.00 42.42 H new ATOM 821 N PRO A 54 -18.468 -14.444 -4.724 1.00 21.41 N ATOM 822 CA PRO A 54 -18.773 -13.011 -4.678 1.00 20.31 C ATOM 823 C PRO A 54 -17.882 -12.260 -3.694 1.00 71.23 C ATOM 824 O PRO A 54 -17.306 -11.226 -4.030 1.00 72.13 O ATOM 825 CB PRO A 54 -20.231 -12.974 -4.215 1.00 14.24 C ATOM 826 CG PRO A 54 -20.422 -14.244 -3.460 1.00 60.22 C ATOM 827 CD PRO A 54 -19.541 -15.261 -4.132 1.00 1.10 C ATOM 0 HA PRO A 54 -18.604 -12.527 -5.640 1.00 20.31 H new ATOM 0 HB2 PRO A 54 -20.424 -12.106 -3.585 1.00 14.24 H new ATOM 0 HB3 PRO A 54 -20.914 -12.911 -5.062 1.00 14.24 H new ATOM 0 HG2 PRO A 54 -20.147 -14.121 -2.413 1.00 60.22 H new ATOM 0 HG3 PRO A 54 -21.466 -14.557 -3.481 1.00 60.22 H new ATOM 0 HD2 PRO A 54 -19.148 -15.986 -3.419 1.00 1.10 H new ATOM 0 HD3 PRO A 54 -20.084 -15.823 -4.892 1.00 1.10 H new ATOM 835 N GLU A 55 -17.774 -12.788 -2.479 1.00 64.00 N ATOM 836 CA GLU A 55 -16.952 -12.166 -1.447 1.00 53.22 C ATOM 837 C GLU A 55 -15.478 -12.183 -1.841 1.00 72.13 C ATOM 838 O GLU A 55 -14.705 -11.319 -1.429 1.00 54.22 O ATOM 839 CB GLU A 55 -17.143 -12.885 -0.110 1.00 45.11 C ATOM 840 CG GLU A 55 -18.522 -12.690 0.495 1.00 15.41 C ATOM 841 CD GLU A 55 -18.579 -13.084 1.958 1.00 30.22 C ATOM 842 OE1 GLU A 55 -17.942 -12.397 2.784 1.00 63.45 O ATOM 843 OE2 GLU A 55 -19.261 -14.080 2.277 1.00 34.33 O ATOM 0 H GLU A 55 -18.245 -13.644 -2.185 1.00 64.00 H new ATOM 0 HA GLU A 55 -17.269 -11.129 -1.342 1.00 53.22 H new ATOM 0 HB2 GLU A 55 -16.965 -13.951 -0.252 1.00 45.11 H new ATOM 0 HB3 GLU A 55 -16.392 -12.528 0.595 1.00 45.11 H new ATOM 0 HG2 GLU A 55 -18.815 -11.645 0.392 1.00 15.41 H new ATOM 0 HG3 GLU A 55 -19.247 -13.281 -0.065 1.00 15.41 H new ATOM 850 N GLU A 56 -15.097 -13.174 -2.641 1.00 70.03 N ATOM 851 CA GLU A 56 -13.716 -13.305 -3.090 1.00 3.43 C ATOM 852 C GLU A 56 -13.262 -12.047 -3.826 1.00 25.41 C ATOM 853 O GLU A 56 -12.122 -11.604 -3.676 1.00 70.15 O ATOM 854 CB GLU A 56 -13.565 -14.525 -4.001 1.00 0.24 C ATOM 855 CG GLU A 56 -12.786 -15.665 -3.367 1.00 1.12 C ATOM 856 CD GLU A 56 -12.377 -16.723 -4.374 1.00 10.45 C ATOM 857 OE1 GLU A 56 -12.289 -16.394 -5.575 1.00 73.44 O ATOM 858 OE2 GLU A 56 -12.145 -17.878 -3.960 1.00 52.22 O ATOM 0 H GLU A 56 -15.725 -13.897 -2.991 1.00 70.03 H new ATOM 0 HA GLU A 56 -13.086 -13.438 -2.210 1.00 3.43 H new ATOM 0 HB2 GLU A 56 -14.555 -14.884 -4.280 1.00 0.24 H new ATOM 0 HB3 GLU A 56 -13.065 -14.222 -4.921 1.00 0.24 H new ATOM 0 HG2 GLU A 56 -11.895 -15.266 -2.883 1.00 1.12 H new ATOM 0 HG3 GLU A 56 -13.393 -16.126 -2.588 1.00 1.12 H new ATOM 865 N LEU A 57 -14.160 -11.478 -4.622 1.00 11.05 N ATOM 866 CA LEU A 57 -13.853 -10.272 -5.382 1.00 50.34 C ATOM 867 C LEU A 57 -13.259 -9.195 -4.480 1.00 13.12 C ATOM 868 O LEU A 57 -12.167 -8.691 -4.736 1.00 45.44 O ATOM 869 CB LEU A 57 -15.114 -9.742 -6.066 1.00 54.53 C ATOM 870 CG LEU A 57 -15.459 -10.368 -7.418 1.00 31.43 C ATOM 871 CD1 LEU A 57 -14.315 -10.180 -8.401 1.00 43.42 C ATOM 872 CD2 LEU A 57 -15.785 -11.846 -7.253 1.00 2.32 C ATOM 0 H LEU A 57 -15.107 -11.832 -4.758 1.00 11.05 H new ATOM 0 HA LEU A 57 -13.115 -10.530 -6.142 1.00 50.34 H new ATOM 0 HB2 LEU A 57 -15.958 -9.892 -5.393 1.00 54.53 H new ATOM 0 HB3 LEU A 57 -15.003 -8.666 -6.204 1.00 54.53 H new ATOM 0 HG LEU A 57 -16.339 -9.864 -7.816 1.00 31.43 H new ATOM 0 HD11 LEU A 57 -14.579 -10.632 -9.357 1.00 43.42 H new ATOM 0 HD12 LEU A 57 -14.128 -9.116 -8.542 1.00 43.42 H new ATOM 0 HD13 LEU A 57 -13.417 -10.658 -8.010 1.00 43.42 H new ATOM 0 HD21 LEU A 57 -16.028 -12.276 -8.225 1.00 2.32 H new ATOM 0 HD22 LEU A 57 -14.923 -12.364 -6.833 1.00 2.32 H new ATOM 0 HD23 LEU A 57 -16.638 -11.958 -6.583 1.00 2.32 H new ATOM 884 N GLN A 58 -13.986 -8.850 -3.422 1.00 13.11 N ATOM 885 CA GLN A 58 -13.530 -7.834 -2.481 1.00 20.25 C ATOM 886 C GLN A 58 -12.306 -8.317 -1.710 1.00 21.24 C ATOM 887 O GLN A 58 -11.510 -7.514 -1.225 1.00 10.24 O ATOM 888 CB GLN A 58 -14.651 -7.472 -1.505 1.00 54.03 C ATOM 889 CG GLN A 58 -14.183 -6.641 -0.321 1.00 73.43 C ATOM 890 CD GLN A 58 -13.622 -5.296 -0.738 1.00 22.23 C ATOM 891 OE1 GLN A 58 -14.308 -4.493 -1.370 1.00 13.44 O ATOM 892 NE2 GLN A 58 -12.367 -5.043 -0.385 1.00 21.32 N ATOM 0 H GLN A 58 -14.893 -9.259 -3.195 1.00 13.11 H new ATOM 0 HA GLN A 58 -13.252 -6.947 -3.050 1.00 20.25 H new ATOM 0 HB2 GLN A 58 -15.424 -6.922 -2.041 1.00 54.03 H new ATOM 0 HB3 GLN A 58 -15.110 -8.389 -1.136 1.00 54.03 H new ATOM 0 HG2 GLN A 58 -15.018 -6.486 0.362 1.00 73.43 H new ATOM 0 HG3 GLN A 58 -13.421 -7.194 0.228 1.00 73.43 H new ATOM 0 HE21 GLN A 58 -11.835 -5.738 0.139 1.00 21.32 H new ATOM 0 HE22 GLN A 58 -11.935 -4.154 -0.638 1.00 21.32 H new ATOM 901 N GLU A 59 -12.163 -9.634 -1.601 1.00 21.43 N ATOM 902 CA GLU A 59 -11.036 -10.223 -0.887 1.00 61.30 C ATOM 903 C GLU A 59 -9.712 -9.796 -1.514 1.00 23.02 C ATOM 904 O GLU A 59 -8.822 -9.294 -0.828 1.00 23.52 O ATOM 905 CB GLU A 59 -11.144 -11.750 -0.888 1.00 52.41 C ATOM 906 CG GLU A 59 -10.545 -12.403 0.346 1.00 60.22 C ATOM 907 CD GLU A 59 -11.324 -12.090 1.609 1.00 42.45 C ATOM 908 OE1 GLU A 59 -12.570 -12.051 1.542 1.00 74.22 O ATOM 909 OE2 GLU A 59 -10.688 -11.882 2.663 1.00 65.33 O ATOM 0 H GLU A 59 -12.813 -10.313 -1.998 1.00 21.43 H new ATOM 0 HA GLU A 59 -11.064 -9.865 0.142 1.00 61.30 H new ATOM 0 HB2 GLU A 59 -12.194 -12.032 -0.964 1.00 52.41 H new ATOM 0 HB3 GLU A 59 -10.644 -12.141 -1.774 1.00 52.41 H new ATOM 0 HG2 GLU A 59 -10.513 -13.483 0.202 1.00 60.22 H new ATOM 0 HG3 GLU A 59 -9.515 -12.067 0.466 1.00 60.22 H new ATOM 916 N MET A 60 -9.590 -9.999 -2.821 1.00 70.35 N ATOM 917 CA MET A 60 -8.375 -9.635 -3.541 1.00 52.13 C ATOM 918 C MET A 60 -8.212 -8.119 -3.600 1.00 71.41 C ATOM 919 O MET A 60 -7.094 -7.609 -3.681 1.00 74.01 O ATOM 920 CB MET A 60 -8.404 -10.212 -4.958 1.00 2.20 C ATOM 921 CG MET A 60 -8.524 -11.727 -4.995 1.00 13.31 C ATOM 922 SD MET A 60 -6.923 -12.553 -4.918 1.00 55.14 S ATOM 923 CE MET A 60 -6.491 -12.615 -6.655 1.00 74.45 C ATOM 0 H MET A 60 -10.317 -10.414 -3.404 1.00 70.35 H new ATOM 0 HA MET A 60 -7.524 -10.054 -3.003 1.00 52.13 H new ATOM 0 HB2 MET A 60 -9.242 -9.776 -5.502 1.00 2.20 H new ATOM 0 HB3 MET A 60 -7.495 -9.915 -5.481 1.00 2.20 H new ATOM 0 HG2 MET A 60 -9.140 -12.059 -4.160 1.00 13.31 H new ATOM 0 HG3 MET A 60 -9.038 -12.025 -5.909 1.00 13.31 H new ATOM 0 HE1 MET A 60 -5.478 -13.002 -6.764 1.00 74.45 H new ATOM 0 HE2 MET A 60 -7.188 -13.268 -7.180 1.00 74.45 H new ATOM 0 HE3 MET A 60 -6.544 -11.612 -7.079 1.00 74.45 H new ATOM 933 N ILE A 61 -9.332 -7.406 -3.559 1.00 74.23 N ATOM 934 CA ILE A 61 -9.312 -5.950 -3.607 1.00 53.51 C ATOM 935 C ILE A 61 -8.903 -5.361 -2.261 1.00 44.14 C ATOM 936 O ILE A 61 -8.425 -4.229 -2.187 1.00 44.21 O ATOM 937 CB ILE A 61 -10.686 -5.380 -4.007 1.00 34.32 C ATOM 938 CG1 ILE A 61 -11.035 -5.789 -5.440 1.00 1.05 C ATOM 939 CG2 ILE A 61 -10.694 -3.866 -3.866 1.00 4.53 C ATOM 940 CD1 ILE A 61 -12.398 -5.312 -5.889 1.00 40.44 C ATOM 0 H ILE A 61 -10.265 -7.813 -3.493 1.00 74.23 H new ATOM 0 HA ILE A 61 -8.578 -5.670 -4.362 1.00 53.51 H new ATOM 0 HB ILE A 61 -11.441 -5.791 -3.337 1.00 34.32 H new ATOM 0 HG12 ILE A 61 -10.279 -5.392 -6.117 1.00 1.05 H new ATOM 0 HG13 ILE A 61 -10.995 -6.875 -5.519 1.00 1.05 H new ATOM 0 HG21 ILE A 61 -11.672 -3.479 -4.152 1.00 4.53 H new ATOM 0 HG22 ILE A 61 -10.486 -3.596 -2.831 1.00 4.53 H new ATOM 0 HG23 ILE A 61 -9.930 -3.436 -4.514 1.00 4.53 H new ATOM 0 HD11 ILE A 61 -12.578 -5.638 -6.913 1.00 40.44 H new ATOM 0 HD12 ILE A 61 -13.163 -5.730 -5.235 1.00 40.44 H new ATOM 0 HD13 ILE A 61 -12.436 -4.224 -5.842 1.00 40.44 H new ATOM 952 N ASP A 62 -9.092 -6.137 -1.200 1.00 65.43 N ATOM 953 CA ASP A 62 -8.739 -5.695 0.144 1.00 41.43 C ATOM 954 C ASP A 62 -7.231 -5.506 0.275 1.00 2.34 C ATOM 955 O ASP A 62 -6.765 -4.473 0.755 1.00 52.52 O ATOM 956 CB ASP A 62 -9.232 -6.704 1.182 1.00 44.20 C ATOM 957 CG ASP A 62 -9.046 -6.210 2.603 1.00 5.02 C ATOM 958 OD1 ASP A 62 -8.887 -4.985 2.790 1.00 24.21 O ATOM 959 OD2 ASP A 62 -9.060 -7.048 3.529 1.00 43.04 O ATOM 0 H ASP A 62 -9.488 -7.076 -1.244 1.00 65.43 H new ATOM 0 HA ASP A 62 -9.224 -4.736 0.324 1.00 41.43 H new ATOM 0 HB2 ASP A 62 -10.288 -6.913 1.008 1.00 44.20 H new ATOM 0 HB3 ASP A 62 -8.695 -7.644 1.054 1.00 44.20 H new ATOM 964 N GLU A 63 -6.474 -6.511 -0.152 1.00 61.34 N ATOM 965 CA GLU A 63 -5.019 -6.456 -0.080 1.00 4.30 C ATOM 966 C GLU A 63 -4.461 -5.460 -1.094 1.00 30.44 C ATOM 967 O GLU A 63 -3.351 -4.952 -0.936 1.00 21.34 O ATOM 968 CB GLU A 63 -4.420 -7.842 -0.328 1.00 10.14 C ATOM 969 CG GLU A 63 -3.688 -8.412 0.875 1.00 25.33 C ATOM 970 CD GLU A 63 -2.180 -8.316 0.740 1.00 13.11 C ATOM 971 OE1 GLU A 63 -1.647 -8.767 -0.295 1.00 23.13 O ATOM 972 OE2 GLU A 63 -1.534 -7.788 1.670 1.00 75.40 O ATOM 0 H GLU A 63 -6.844 -7.373 -0.552 1.00 61.34 H new ATOM 0 HA GLU A 63 -4.743 -6.123 0.921 1.00 4.30 H new ATOM 0 HB2 GLU A 63 -5.217 -8.527 -0.616 1.00 10.14 H new ATOM 0 HB3 GLU A 63 -3.730 -7.785 -1.170 1.00 10.14 H new ATOM 0 HG2 GLU A 63 -4.003 -7.880 1.773 1.00 25.33 H new ATOM 0 HG3 GLU A 63 -3.971 -9.456 1.007 1.00 25.33 H new ATOM 979 N VAL A 64 -5.240 -5.187 -2.136 1.00 23.23 N ATOM 980 CA VAL A 64 -4.825 -4.253 -3.176 1.00 13.15 C ATOM 981 C VAL A 64 -5.069 -2.810 -2.747 1.00 75.33 C ATOM 982 O VAL A 64 -4.172 -1.970 -2.819 1.00 32.43 O ATOM 983 CB VAL A 64 -5.570 -4.518 -4.497 1.00 54.43 C ATOM 984 CG1 VAL A 64 -5.256 -3.432 -5.515 1.00 4.43 C ATOM 985 CG2 VAL A 64 -5.213 -5.892 -5.044 1.00 12.51 C ATOM 0 H VAL A 64 -6.161 -5.599 -2.282 1.00 23.23 H new ATOM 0 HA VAL A 64 -3.757 -4.407 -3.333 1.00 13.15 H new ATOM 0 HB VAL A 64 -6.642 -4.498 -4.299 1.00 54.43 H new ATOM 0 HG11 VAL A 64 -5.792 -3.636 -6.442 1.00 4.43 H new ATOM 0 HG12 VAL A 64 -5.567 -2.464 -5.122 1.00 4.43 H new ATOM 0 HG13 VAL A 64 -4.184 -3.416 -5.711 1.00 4.43 H new ATOM 0 HG21 VAL A 64 -5.749 -6.062 -5.978 1.00 12.51 H new ATOM 0 HG22 VAL A 64 -4.140 -5.943 -5.227 1.00 12.51 H new ATOM 0 HG23 VAL A 64 -5.495 -6.656 -4.320 1.00 12.51 H new ATOM 995 N ASP A 65 -6.289 -2.530 -2.302 1.00 11.23 N ATOM 996 CA ASP A 65 -6.652 -1.188 -1.860 1.00 21.22 C ATOM 997 C ASP A 65 -5.835 -0.779 -0.638 1.00 34.22 C ATOM 998 O ASP A 65 -6.099 -1.232 0.476 1.00 65.35 O ATOM 999 CB ASP A 65 -8.145 -1.121 -1.537 1.00 33.04 C ATOM 1000 CG ASP A 65 -8.713 0.274 -1.710 1.00 70.01 C ATOM 1001 OD1 ASP A 65 -7.974 1.251 -1.466 1.00 24.54 O ATOM 1002 OD2 ASP A 65 -9.896 0.389 -2.091 1.00 54.32 O ATOM 0 H ASP A 65 -7.043 -3.214 -2.238 1.00 11.23 H new ATOM 0 HA ASP A 65 -6.432 -0.493 -2.670 1.00 21.22 H new ATOM 0 HB2 ASP A 65 -8.685 -1.813 -2.184 1.00 33.04 H new ATOM 0 HB3 ASP A 65 -8.307 -1.451 -0.511 1.00 33.04 H new ATOM 1007 N GLU A 66 -4.844 0.079 -0.855 1.00 64.11 N ATOM 1008 CA GLU A 66 -3.988 0.547 0.229 1.00 61.31 C ATOM 1009 C GLU A 66 -4.757 1.470 1.170 1.00 71.33 C ATOM 1010 O GLU A 66 -4.426 1.587 2.350 1.00 60.14 O ATOM 1011 CB GLU A 66 -2.767 1.277 -0.334 1.00 62.12 C ATOM 1012 CG GLU A 66 -3.119 2.490 -1.179 1.00 71.42 C ATOM 1013 CD GLU A 66 -2.078 2.783 -2.242 1.00 23.42 C ATOM 1014 OE1 GLU A 66 -1.660 1.836 -2.941 1.00 51.21 O ATOM 1015 OE2 GLU A 66 -1.681 3.959 -2.374 1.00 3.42 O ATOM 0 H GLU A 66 -4.614 0.464 -1.771 1.00 64.11 H new ATOM 0 HA GLU A 66 -3.653 -0.323 0.794 1.00 61.31 H new ATOM 0 HB2 GLU A 66 -2.130 1.593 0.492 1.00 62.12 H new ATOM 0 HB3 GLU A 66 -2.184 0.581 -0.938 1.00 62.12 H new ATOM 0 HG2 GLU A 66 -4.085 2.327 -1.657 1.00 71.42 H new ATOM 0 HG3 GLU A 66 -3.227 3.360 -0.532 1.00 71.42 H new ATOM 1022 N ASP A 67 -5.784 2.123 0.638 1.00 14.13 N ATOM 1023 CA ASP A 67 -6.602 3.036 1.429 1.00 22.34 C ATOM 1024 C ASP A 67 -7.867 2.342 1.924 1.00 31.01 C ATOM 1025 O ASP A 67 -8.616 2.894 2.729 1.00 5.05 O ATOM 1026 CB ASP A 67 -6.971 4.269 0.604 1.00 10.31 C ATOM 1027 CG ASP A 67 -7.395 3.916 -0.808 1.00 34.43 C ATOM 1028 OD1 ASP A 67 -6.523 3.515 -1.607 1.00 33.30 O ATOM 1029 OD2 ASP A 67 -8.600 4.039 -1.113 1.00 62.21 O ATOM 0 H ASP A 67 -6.070 2.037 -0.337 1.00 14.13 H new ATOM 0 HA ASP A 67 -6.019 3.350 2.295 1.00 22.34 H new ATOM 0 HB2 ASP A 67 -7.780 4.805 1.100 1.00 10.31 H new ATOM 0 HB3 ASP A 67 -6.117 4.945 0.565 1.00 10.31 H new ATOM 1034 N GLY A 68 -8.100 1.128 1.435 1.00 72.30 N ATOM 1035 CA GLY A 68 -9.276 0.379 1.838 1.00 73.14 C ATOM 1036 C GLY A 68 -10.563 1.135 1.574 1.00 74.15 C ATOM 1037 O GLY A 68 -11.486 1.106 2.387 1.00 35.23 O ATOM 0 H GLY A 68 -7.495 0.650 0.767 1.00 72.30 H new ATOM 0 HA2 GLY A 68 -9.299 -0.570 1.303 1.00 73.14 H new ATOM 0 HA3 GLY A 68 -9.207 0.144 2.900 1.00 73.14 H new ATOM 1041 N SER A 69 -10.625 1.815 0.433 1.00 1.33 N ATOM 1042 CA SER A 69 -11.806 2.587 0.067 1.00 55.42 C ATOM 1043 C SER A 69 -12.917 1.673 -0.441 1.00 62.25 C ATOM 1044 O SER A 69 -14.098 2.010 -0.366 1.00 24.14 O ATOM 1045 CB SER A 69 -11.453 3.623 -1.003 1.00 35.22 C ATOM 1046 OG SER A 69 -10.783 3.019 -2.096 1.00 34.13 O ATOM 0 H SER A 69 -9.871 1.847 -0.253 1.00 1.33 H new ATOM 0 HA SER A 69 -12.163 3.103 0.958 1.00 55.42 H new ATOM 0 HB2 SER A 69 -12.362 4.112 -1.354 1.00 35.22 H new ATOM 0 HB3 SER A 69 -10.822 4.398 -0.569 1.00 35.22 H new ATOM 0 HG SER A 69 -9.823 3.205 -2.034 1.00 34.13 H new ATOM 1052 N GLY A 70 -12.528 0.512 -0.961 1.00 21.05 N ATOM 1053 CA GLY A 70 -13.501 -0.434 -1.474 1.00 71.12 C ATOM 1054 C GLY A 70 -13.553 -0.447 -2.989 1.00 70.41 C ATOM 1055 O GLY A 70 -14.506 -0.955 -3.581 1.00 62.54 O ATOM 0 H GLY A 70 -11.556 0.210 -1.036 1.00 21.05 H new ATOM 0 HA2 GLY A 70 -13.257 -1.433 -1.113 1.00 71.12 H new ATOM 0 HA3 GLY A 70 -14.487 -0.185 -1.082 1.00 71.12 H new ATOM 1059 N THR A 71 -12.526 0.114 -3.620 1.00 13.20 N ATOM 1060 CA THR A 71 -12.460 0.168 -5.075 1.00 21.41 C ATOM 1061 C THR A 71 -11.015 0.206 -5.558 1.00 64.22 C ATOM 1062 O THR A 71 -10.131 0.712 -4.866 1.00 71.41 O ATOM 1063 CB THR A 71 -13.206 1.397 -5.627 1.00 34.14 C ATOM 1064 OG1 THR A 71 -13.188 2.455 -4.662 1.00 33.23 O ATOM 1065 CG2 THR A 71 -14.645 1.045 -5.974 1.00 50.22 C ATOM 0 H THR A 71 -11.728 0.537 -3.146 1.00 13.20 H new ATOM 0 HA THR A 71 -12.942 -0.736 -5.447 1.00 21.41 H new ATOM 0 HB THR A 71 -12.699 1.725 -6.535 1.00 34.14 H new ATOM 0 HG1 THR A 71 -13.663 3.233 -5.021 1.00 33.23 H new ATOM 0 HG21 THR A 71 -15.152 1.928 -6.362 1.00 50.22 H new ATOM 0 HG22 THR A 71 -14.655 0.259 -6.730 1.00 50.22 H new ATOM 0 HG23 THR A 71 -15.160 0.695 -5.079 1.00 50.22 H new ATOM 1073 N VAL A 72 -10.780 -0.332 -6.751 1.00 50.42 N ATOM 1074 CA VAL A 72 -9.441 -0.357 -7.328 1.00 73.32 C ATOM 1075 C VAL A 72 -9.279 0.727 -8.387 1.00 44.05 C ATOM 1076 O VAL A 72 -10.064 0.809 -9.332 1.00 64.03 O ATOM 1077 CB VAL A 72 -9.128 -1.727 -7.959 1.00 72.02 C ATOM 1078 CG1 VAL A 72 -8.136 -1.574 -9.102 1.00 21.52 C ATOM 1079 CG2 VAL A 72 -8.598 -2.689 -6.907 1.00 33.22 C ATOM 0 H VAL A 72 -11.499 -0.756 -7.336 1.00 50.42 H new ATOM 0 HA VAL A 72 -8.741 -0.172 -6.513 1.00 73.32 H new ATOM 0 HB VAL A 72 -10.051 -2.141 -8.364 1.00 72.02 H new ATOM 0 HG11 VAL A 72 -7.927 -2.552 -9.536 1.00 21.52 H new ATOM 0 HG12 VAL A 72 -8.559 -0.921 -9.866 1.00 21.52 H new ATOM 0 HG13 VAL A 72 -7.211 -1.139 -8.725 1.00 21.52 H new ATOM 0 HG21 VAL A 72 -8.382 -3.652 -7.370 1.00 33.22 H new ATOM 0 HG22 VAL A 72 -7.685 -2.284 -6.470 1.00 33.22 H new ATOM 0 HG23 VAL A 72 -9.346 -2.822 -6.126 1.00 33.22 H new ATOM 1089 N ASP A 73 -8.255 1.557 -8.224 1.00 4.23 N ATOM 1090 CA ASP A 73 -7.987 2.637 -9.167 1.00 60.30 C ATOM 1091 C ASP A 73 -6.906 2.231 -10.164 1.00 52.34 C ATOM 1092 O ASP A 73 -6.416 1.102 -10.140 1.00 1.24 O ATOM 1093 CB ASP A 73 -7.561 3.901 -8.420 1.00 44.41 C ATOM 1094 CG ASP A 73 -8.691 4.503 -7.608 1.00 23.22 C ATOM 1095 OD1 ASP A 73 -9.440 3.732 -6.972 1.00 53.11 O ATOM 1096 OD2 ASP A 73 -8.825 5.744 -7.607 1.00 41.10 O ATOM 0 H ASP A 73 -7.596 1.503 -7.447 1.00 4.23 H new ATOM 0 HA ASP A 73 -8.905 2.842 -9.717 1.00 60.30 H new ATOM 0 HB2 ASP A 73 -6.728 3.665 -7.758 1.00 44.41 H new ATOM 0 HB3 ASP A 73 -7.200 4.639 -9.137 1.00 44.41 H new ATOM 1101 N PHE A 74 -6.540 3.159 -11.042 1.00 51.51 N ATOM 1102 CA PHE A 74 -5.519 2.898 -12.050 1.00 3.33 C ATOM 1103 C PHE A 74 -4.209 2.467 -11.397 1.00 45.30 C ATOM 1104 O PHE A 74 -3.565 1.516 -11.841 1.00 11.14 O ATOM 1105 CB PHE A 74 -5.289 4.144 -12.908 1.00 25.01 C ATOM 1106 CG PHE A 74 -4.133 4.012 -13.858 1.00 3.10 C ATOM 1107 CD1 PHE A 74 -3.828 2.789 -14.433 1.00 40.15 C ATOM 1108 CD2 PHE A 74 -3.351 5.111 -14.176 1.00 13.20 C ATOM 1109 CE1 PHE A 74 -2.764 2.665 -15.307 1.00 54.03 C ATOM 1110 CE2 PHE A 74 -2.287 4.993 -15.050 1.00 3.34 C ATOM 1111 CZ PHE A 74 -1.994 3.769 -15.617 1.00 24.42 C ATOM 0 H PHE A 74 -6.935 4.099 -11.076 1.00 51.51 H new ATOM 0 HA PHE A 74 -5.871 2.087 -12.687 1.00 3.33 H new ATOM 0 HB2 PHE A 74 -6.194 4.356 -13.477 1.00 25.01 H new ATOM 0 HB3 PHE A 74 -5.116 4.999 -12.254 1.00 25.01 H new ATOM 0 HD1 PHE A 74 -4.428 1.923 -14.196 1.00 40.15 H new ATOM 0 HD2 PHE A 74 -3.576 6.071 -13.736 1.00 13.20 H new ATOM 0 HE1 PHE A 74 -2.535 1.706 -15.747 1.00 54.03 H new ATOM 0 HE2 PHE A 74 -1.685 5.857 -15.289 1.00 3.34 H new ATOM 0 HZ PHE A 74 -1.164 3.675 -16.302 1.00 24.42 H new ATOM 1121 N ASP A 75 -3.820 3.174 -10.342 1.00 2.42 N ATOM 1122 CA ASP A 75 -2.587 2.866 -9.627 1.00 22.12 C ATOM 1123 C ASP A 75 -2.642 1.464 -9.029 1.00 22.35 C ATOM 1124 O ASP A 75 -1.821 0.607 -9.355 1.00 40.20 O ATOM 1125 CB ASP A 75 -2.341 3.896 -8.523 1.00 20.52 C ATOM 1126 CG ASP A 75 -2.563 5.318 -8.998 1.00 33.01 C ATOM 1127 OD1 ASP A 75 -1.738 5.813 -9.793 1.00 5.44 O ATOM 1128 OD2 ASP A 75 -3.563 5.936 -8.574 1.00 44.03 O ATOM 0 H ASP A 75 -4.341 3.965 -9.963 1.00 2.42 H new ATOM 0 HA ASP A 75 -1.763 2.906 -10.340 1.00 22.12 H new ATOM 0 HB2 ASP A 75 -3.004 3.689 -7.683 1.00 20.52 H new ATOM 0 HB3 ASP A 75 -1.320 3.794 -8.156 1.00 20.52 H new ATOM 1133 N GLU A 76 -3.614 1.238 -8.151 1.00 13.04 N ATOM 1134 CA GLU A 76 -3.774 -0.060 -7.506 1.00 32.02 C ATOM 1135 C GLU A 76 -3.933 -1.167 -8.544 1.00 32.32 C ATOM 1136 O GLU A 76 -3.438 -2.279 -8.361 1.00 31.40 O ATOM 1137 CB GLU A 76 -4.986 -0.044 -6.571 1.00 63.32 C ATOM 1138 CG GLU A 76 -4.658 0.407 -5.158 1.00 13.31 C ATOM 1139 CD GLU A 76 -5.825 1.102 -4.483 1.00 4.34 C ATOM 1140 OE1 GLU A 76 -6.951 1.026 -5.016 1.00 40.32 O ATOM 1141 OE2 GLU A 76 -5.610 1.722 -3.420 1.00 13.13 O ATOM 0 H GLU A 76 -4.302 1.936 -7.870 1.00 13.04 H new ATOM 0 HA GLU A 76 -2.876 -0.260 -6.921 1.00 32.02 H new ATOM 0 HB2 GLU A 76 -5.747 0.617 -6.987 1.00 63.32 H new ATOM 0 HB3 GLU A 76 -5.418 -1.044 -6.533 1.00 63.32 H new ATOM 0 HG2 GLU A 76 -4.362 -0.458 -4.564 1.00 13.31 H new ATOM 0 HG3 GLU A 76 -3.803 1.083 -5.185 1.00 13.31 H new ATOM 1148 N TRP A 77 -4.627 -0.854 -9.632 1.00 32.31 N ATOM 1149 CA TRP A 77 -4.852 -1.823 -10.699 1.00 54.52 C ATOM 1150 C TRP A 77 -3.550 -2.150 -11.421 1.00 22.23 C ATOM 1151 O TRP A 77 -3.298 -3.303 -11.775 1.00 5.32 O ATOM 1152 CB TRP A 77 -5.880 -1.284 -11.696 1.00 32.02 C ATOM 1153 CG TRP A 77 -6.366 -2.318 -12.666 1.00 25.31 C ATOM 1154 CD1 TRP A 77 -7.528 -3.031 -12.591 1.00 31.03 C ATOM 1155 CD2 TRP A 77 -5.700 -2.757 -13.855 1.00 51.54 C ATOM 1156 NE1 TRP A 77 -7.625 -3.886 -13.662 1.00 34.11 N ATOM 1157 CE2 TRP A 77 -6.517 -3.736 -14.453 1.00 32.21 C ATOM 1158 CE3 TRP A 77 -4.495 -2.415 -14.475 1.00 70.42 C ATOM 1159 CZ2 TRP A 77 -6.165 -4.377 -15.638 1.00 12.11 C ATOM 1160 CZ3 TRP A 77 -4.147 -3.052 -15.651 1.00 70.40 C ATOM 1161 CH2 TRP A 77 -4.980 -4.023 -16.223 1.00 22.41 C ATOM 0 H TRP A 77 -5.043 0.062 -9.799 1.00 32.31 H new ATOM 0 HA TRP A 77 -5.236 -2.739 -10.249 1.00 54.52 H new ATOM 0 HB2 TRP A 77 -6.732 -0.882 -11.147 1.00 32.02 H new ATOM 0 HB3 TRP A 77 -5.438 -0.456 -12.250 1.00 32.02 H new ATOM 0 HD1 TRP A 77 -8.263 -2.937 -11.805 1.00 31.03 H new ATOM 0 HE1 TRP A 77 -8.397 -4.528 -13.839 1.00 34.11 H new ATOM 0 HE3 TRP A 77 -3.847 -1.666 -14.043 1.00 70.42 H new ATOM 0 HZ2 TRP A 77 -6.805 -5.127 -16.080 1.00 12.11 H new ATOM 0 HZ3 TRP A 77 -3.217 -2.797 -16.138 1.00 70.40 H new ATOM 0 HH2 TRP A 77 -4.681 -4.501 -17.144 1.00 22.41 H new ATOM 1172 N LEU A 78 -2.725 -1.131 -11.636 1.00 32.23 N ATOM 1173 CA LEU A 78 -1.447 -1.312 -12.315 1.00 50.54 C ATOM 1174 C LEU A 78 -0.498 -2.159 -11.475 1.00 31.45 C ATOM 1175 O LEU A 78 0.090 -3.123 -11.965 1.00 64.11 O ATOM 1176 CB LEU A 78 -0.809 0.047 -12.612 1.00 63.40 C ATOM 1177 CG LEU A 78 0.037 0.127 -13.883 1.00 44.31 C ATOM 1178 CD1 LEU A 78 0.450 1.565 -14.160 1.00 32.35 C ATOM 1179 CD2 LEU A 78 1.262 -0.768 -13.766 1.00 44.11 C ATOM 0 H LEU A 78 -2.918 -0.171 -11.350 1.00 32.23 H new ATOM 0 HA LEU A 78 -1.633 -1.833 -13.254 1.00 50.54 H new ATOM 0 HB2 LEU A 78 -1.602 0.791 -12.680 1.00 63.40 H new ATOM 0 HB3 LEU A 78 -0.183 0.325 -11.764 1.00 63.40 H new ATOM 0 HG LEU A 78 -0.566 -0.224 -14.720 1.00 44.31 H new ATOM 0 HD11 LEU A 78 1.051 1.602 -15.068 1.00 32.35 H new ATOM 0 HD12 LEU A 78 -0.440 2.181 -14.289 1.00 32.35 H new ATOM 0 HD13 LEU A 78 1.035 1.943 -13.322 1.00 32.35 H new ATOM 0 HD21 LEU A 78 1.852 -0.698 -14.680 1.00 44.11 H new ATOM 0 HD22 LEU A 78 1.867 -0.448 -12.918 1.00 44.11 H new ATOM 0 HD23 LEU A 78 0.945 -1.800 -13.616 1.00 44.11 H new ATOM 1191 N VAL A 79 -0.355 -1.795 -10.204 1.00 74.40 N ATOM 1192 CA VAL A 79 0.519 -2.524 -9.293 1.00 63.44 C ATOM 1193 C VAL A 79 0.051 -3.964 -9.117 1.00 22.43 C ATOM 1194 O VAL A 79 0.859 -4.869 -8.909 1.00 20.21 O ATOM 1195 CB VAL A 79 0.585 -1.844 -7.913 1.00 35.30 C ATOM 1196 CG1 VAL A 79 1.208 -0.462 -8.028 1.00 10.43 C ATOM 1197 CG2 VAL A 79 -0.802 -1.763 -7.293 1.00 74.15 C ATOM 0 H VAL A 79 -0.834 -0.999 -9.782 1.00 74.40 H new ATOM 0 HA VAL A 79 1.514 -2.521 -9.738 1.00 63.44 H new ATOM 0 HB VAL A 79 1.216 -2.447 -7.260 1.00 35.30 H new ATOM 0 HG11 VAL A 79 1.246 0.003 -7.043 1.00 10.43 H new ATOM 0 HG12 VAL A 79 2.219 -0.550 -8.427 1.00 10.43 H new ATOM 0 HG13 VAL A 79 0.607 0.154 -8.697 1.00 10.43 H new ATOM 0 HG21 VAL A 79 -0.737 -1.280 -6.318 1.00 74.15 H new ATOM 0 HG22 VAL A 79 -1.458 -1.183 -7.943 1.00 74.15 H new ATOM 0 HG23 VAL A 79 -1.206 -2.768 -7.173 1.00 74.15 H new ATOM 1207 N MET A 80 -1.259 -4.169 -9.201 1.00 72.42 N ATOM 1208 CA MET A 80 -1.835 -5.501 -9.052 1.00 52.12 C ATOM 1209 C MET A 80 -1.217 -6.475 -10.050 1.00 75.22 C ATOM 1210 O MET A 80 -0.724 -7.537 -9.671 1.00 0.22 O ATOM 1211 CB MET A 80 -3.352 -5.448 -9.245 1.00 60.31 C ATOM 1212 CG MET A 80 -4.000 -6.820 -9.345 1.00 2.31 C ATOM 1213 SD MET A 80 -5.763 -6.784 -8.968 1.00 23.31 S ATOM 1214 CE MET A 80 -6.257 -5.279 -9.802 1.00 51.44 C ATOM 0 H MET A 80 -1.942 -3.431 -9.371 1.00 72.42 H new ATOM 0 HA MET A 80 -1.616 -5.854 -8.044 1.00 52.12 H new ATOM 0 HB2 MET A 80 -3.797 -4.905 -8.412 1.00 60.31 H new ATOM 0 HB3 MET A 80 -3.575 -4.883 -10.150 1.00 60.31 H new ATOM 0 HG2 MET A 80 -3.855 -7.213 -10.351 1.00 2.31 H new ATOM 0 HG3 MET A 80 -3.500 -7.505 -8.660 1.00 2.31 H new ATOM 0 HE1 MET A 80 -7.317 -5.332 -10.051 1.00 51.44 H new ATOM 0 HE2 MET A 80 -6.080 -4.425 -9.148 1.00 51.44 H new ATOM 0 HE3 MET A 80 -5.675 -5.162 -10.716 1.00 51.44 H new ATOM 1224 N MET A 81 -1.249 -6.107 -11.327 1.00 21.02 N ATOM 1225 CA MET A 81 -0.691 -6.949 -12.379 1.00 21.14 C ATOM 1226 C MET A 81 0.756 -7.319 -12.069 1.00 1.14 C ATOM 1227 O MET A 81 1.213 -8.411 -12.404 1.00 34.54 O ATOM 1228 CB MET A 81 -0.769 -6.234 -13.729 1.00 22.21 C ATOM 1229 CG MET A 81 -0.891 -7.181 -14.912 1.00 32.13 C ATOM 1230 SD MET A 81 -2.474 -8.044 -14.950 1.00 12.41 S ATOM 1231 CE MET A 81 -3.611 -6.662 -15.024 1.00 11.42 C ATOM 0 H MET A 81 -1.655 -5.232 -11.658 1.00 21.02 H new ATOM 0 HA MET A 81 -1.279 -7.865 -12.427 1.00 21.14 H new ATOM 0 HB2 MET A 81 -1.625 -5.559 -13.725 1.00 22.21 H new ATOM 0 HB3 MET A 81 0.122 -5.619 -13.857 1.00 22.21 H new ATOM 0 HG2 MET A 81 -0.766 -6.618 -15.837 1.00 32.13 H new ATOM 0 HG3 MET A 81 -0.084 -7.912 -14.872 1.00 32.13 H new ATOM 0 HE1 MET A 81 -4.406 -6.883 -15.736 1.00 11.42 H new ATOM 0 HE2 MET A 81 -4.044 -6.494 -14.038 1.00 11.42 H new ATOM 0 HE3 MET A 81 -3.076 -5.767 -15.343 1.00 11.42 H new ATOM 1241 N ALA A 82 1.472 -6.401 -11.427 1.00 64.33 N ATOM 1242 CA ALA A 82 2.867 -6.632 -11.071 1.00 33.41 C ATOM 1243 C ALA A 82 3.011 -7.873 -10.196 1.00 4.21 C ATOM 1244 O ALA A 82 4.083 -8.474 -10.128 1.00 24.32 O ATOM 1245 CB ALA A 82 3.439 -5.414 -10.362 1.00 30.05 C ATOM 0 H ALA A 82 1.109 -5.491 -11.143 1.00 64.33 H new ATOM 0 HA ALA A 82 3.429 -6.800 -11.990 1.00 33.41 H new ATOM 0 HB1 ALA A 82 4.481 -5.600 -10.102 1.00 30.05 H new ATOM 0 HB2 ALA A 82 3.379 -4.548 -11.021 1.00 30.05 H new ATOM 0 HB3 ALA A 82 2.868 -5.220 -9.454 1.00 30.05 H new ATOM 1251 N ARG A 83 1.926 -8.250 -9.528 1.00 2.23 N ATOM 1252 CA ARG A 83 1.933 -9.418 -8.655 1.00 45.13 C ATOM 1253 C ARG A 83 2.184 -10.693 -9.456 1.00 14.33 C ATOM 1254 O ARG A 83 2.755 -11.657 -8.944 1.00 53.42 O ATOM 1255 CB ARG A 83 0.606 -9.527 -7.903 1.00 72.42 C ATOM 1256 CG ARG A 83 -0.486 -10.230 -8.694 1.00 22.13 C ATOM 1257 CD ARG A 83 -1.866 -9.920 -8.135 1.00 43.54 C ATOM 1258 NE ARG A 83 -2.930 -10.475 -8.967 1.00 13.12 N ATOM 1259 CZ ARG A 83 -4.221 -10.378 -8.669 1.00 53.35 C ATOM 1260 NH1 ARG A 83 -4.606 -9.750 -7.567 1.00 3.31 N ATOM 1261 NH2 ARG A 83 -5.131 -10.909 -9.476 1.00 61.13 N ATOM 0 H ARG A 83 1.031 -7.764 -9.574 1.00 2.23 H new ATOM 0 HA ARG A 83 2.741 -9.298 -7.934 1.00 45.13 H new ATOM 0 HB2 ARG A 83 0.770 -10.065 -6.969 1.00 72.42 H new ATOM 0 HB3 ARG A 83 0.265 -8.526 -7.639 1.00 72.42 H new ATOM 0 HG2 ARG A 83 -0.437 -9.921 -9.738 1.00 22.13 H new ATOM 0 HG3 ARG A 83 -0.317 -11.307 -8.672 1.00 22.13 H new ATOM 0 HD2 ARG A 83 -1.947 -10.323 -7.126 1.00 43.54 H new ATOM 0 HD3 ARG A 83 -1.992 -8.840 -8.058 1.00 43.54 H new ATOM 0 HE ARG A 83 -2.668 -10.964 -9.823 1.00 13.12 H new ATOM 0 HH11 ARG A 83 -3.910 -9.339 -6.945 1.00 3.31 H new ATOM 0 HH12 ARG A 83 -5.598 -9.677 -7.341 1.00 3.31 H new ATOM 0 HH21 ARG A 83 -4.839 -11.392 -10.326 1.00 61.13 H new ATOM 0 HH22 ARG A 83 -6.122 -10.834 -9.246 1.00 61.13 H new ATOM 1275 N CYS A 84 1.752 -10.690 -10.712 1.00 63.20 N ATOM 1276 CA CYS A 84 1.928 -11.847 -11.583 1.00 61.00 C ATOM 1277 C CYS A 84 3.388 -12.000 -11.996 1.00 43.42 C ATOM 1278 O CYS A 84 3.807 -13.064 -12.449 1.00 63.32 O ATOM 1279 CB CYS A 84 1.045 -11.715 -12.825 1.00 21.42 C ATOM 1280 SG CYS A 84 0.881 -13.242 -13.779 1.00 65.25 S ATOM 0 H CYS A 84 1.278 -9.900 -11.150 1.00 63.20 H new ATOM 0 HA CYS A 84 1.632 -12.737 -11.028 1.00 61.00 H new ATOM 0 HB2 CYS A 84 0.053 -11.382 -12.519 1.00 21.42 H new ATOM 0 HB3 CYS A 84 1.457 -10.939 -13.470 1.00 21.42 H new ATOM 0 HG CYS A 84 1.989 -13.918 -13.709 1.00 65.25 H new ATOM 1286 N MET A 85 4.158 -10.927 -11.838 1.00 74.53 N ATOM 1287 CA MET A 85 5.571 -10.943 -12.196 1.00 4.54 C ATOM 1288 C MET A 85 6.388 -11.699 -11.153 1.00 33.25 C ATOM 1289 O MET A 85 7.377 -12.355 -11.479 1.00 71.25 O ATOM 1290 CB MET A 85 6.099 -9.513 -12.335 1.00 25.41 C ATOM 1291 CG MET A 85 7.357 -9.249 -11.524 1.00 4.44 C ATOM 1292 SD MET A 85 8.846 -9.876 -12.325 1.00 53.11 S ATOM 1293 CE MET A 85 10.064 -8.697 -11.748 1.00 11.43 C ATOM 0 H MET A 85 3.827 -10.037 -11.465 1.00 74.53 H new ATOM 0 HA MET A 85 5.672 -11.456 -13.152 1.00 4.54 H new ATOM 0 HB2 MET A 85 6.305 -9.311 -13.386 1.00 25.41 H new ATOM 0 HB3 MET A 85 5.322 -8.815 -12.023 1.00 25.41 H new ATOM 0 HG2 MET A 85 7.461 -8.176 -11.362 1.00 4.44 H new ATOM 0 HG3 MET A 85 7.255 -9.712 -10.542 1.00 4.44 H new ATOM 0 HE1 MET A 85 11.034 -9.188 -11.664 1.00 11.43 H new ATOM 0 HE2 MET A 85 10.135 -7.872 -12.456 1.00 11.43 H new ATOM 0 HE3 MET A 85 9.765 -8.313 -10.772 1.00 11.43 H new