USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 794 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 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 56 THR OG1 : rot 160:sc= -1.53 USER MOD Set 2.2: A 59 GLN : amide:sc= -2.2 K(o=-3.7,f=-2.3) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 CYS SG : rot 85:sc= -0.0264 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc=-0.000851 K(o=-0.00085,f=-1) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.141 K(o=-0.14,f=-3.5!) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0.19 K(o=0.19,f=-1) USER MOD Single : A 45 SER OG : rot 95:sc= 1.17 USER MOD Single : A 46 THR OG1 : rot 16:sc= 0.288 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -2.01! C(o=-2!,f=-6.4!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 170:sc= -0.0318 USER MOD Single : A 78 LYS NZ :NH3+ -159:sc= -0.0718 (180deg=-0.417) USER MOD Single : A 86 THR OG1 : rot 58:sc= 1.23 USER MOD Single : A 88 LYS NZ :NH3+ 155:sc= -1.7 (180deg=-2.43) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.461 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.162 USER MOD Single : A 108 ASN : amide:sc= -0.29 X(o=-0.29,f=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= -0.266 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -0.299 K(o=-0.3,f=-3!) USER MOD Single : A 113 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 77 N ASP A 8 -5.313 10.044 3.414 1.00 73.13 N ATOM 78 CA ASP A 8 -5.470 8.661 2.976 1.00 44.25 C ATOM 79 C ASP A 8 -4.444 7.757 3.653 1.00 31.25 C ATOM 80 O ASP A 8 -4.666 6.556 3.804 1.00 41.42 O ATOM 81 CB ASP A 8 -5.330 8.565 1.457 1.00 24.51 C ATOM 82 CG ASP A 8 -6.666 8.654 0.746 1.00 75.43 C ATOM 83 OD1 ASP A 8 -7.032 7.685 0.047 1.00 1.13 O ATOM 84 OD2 ASP A 8 -7.346 9.690 0.889 1.00 4.32 O ATOM 0 HA ASP A 8 -6.467 8.326 3.262 1.00 44.25 H new ATOM 0 HB2 ASP A 8 -4.680 9.365 1.104 1.00 24.51 H new ATOM 0 HB3 ASP A 8 -4.846 7.623 1.198 1.00 24.51 H new ATOM 89 N TRP A 9 -3.322 8.342 4.056 1.00 42.21 N ATOM 90 CA TRP A 9 -2.261 7.589 4.715 1.00 0.02 C ATOM 91 C TRP A 9 -2.666 7.207 6.134 1.00 73.20 C ATOM 92 O TRP A 9 -2.806 6.026 6.454 1.00 13.31 O ATOM 93 CB TRP A 9 -0.969 8.406 4.743 1.00 11.43 C ATOM 94 CG TRP A 9 0.157 7.715 5.451 1.00 64.41 C ATOM 95 CD1 TRP A 9 0.788 8.133 6.588 1.00 0.12 C ATOM 96 CD2 TRP A 9 0.783 6.486 5.070 1.00 32.21 C ATOM 97 NE1 TRP A 9 1.770 7.236 6.936 1.00 0.22 N ATOM 98 CE2 TRP A 9 1.787 6.217 6.021 1.00 2.22 C ATOM 99 CE3 TRP A 9 0.593 5.585 4.019 1.00 23.41 C ATOM 100 CZ2 TRP A 9 2.596 5.087 5.950 1.00 32.23 C ATOM 101 CZ3 TRP A 9 1.397 4.464 3.949 1.00 33.34 C ATOM 102 CH2 TRP A 9 2.388 4.222 4.910 1.00 30.33 C ATOM 0 H TRP A 9 -3.123 9.335 3.938 1.00 42.21 H new ATOM 0 HA TRP A 9 -2.092 6.675 4.147 1.00 0.02 H new ATOM 0 HB2 TRP A 9 -0.665 8.626 3.720 1.00 11.43 H new ATOM 0 HB3 TRP A 9 -1.163 9.362 5.230 1.00 11.43 H new ATOM 0 HD1 TRP A 9 0.551 9.035 7.133 1.00 0.12 H new ATOM 0 HE1 TRP A 9 2.386 7.316 7.745 1.00 0.22 H new ATOM 0 HE3 TRP A 9 -0.169 5.762 3.274 1.00 23.41 H new ATOM 0 HZ2 TRP A 9 3.361 4.899 6.689 1.00 32.23 H new ATOM 0 HZ3 TRP A 9 1.260 3.762 3.140 1.00 33.34 H new ATOM 0 HH2 TRP A 9 3.000 3.336 4.828 1.00 30.33 H new ATOM 113 N LYS A 10 -2.853 8.212 6.982 1.00 23.53 N ATOM 114 CA LYS A 10 -3.245 7.982 8.368 1.00 12.21 C ATOM 115 C LYS A 10 -4.594 7.273 8.443 1.00 52.32 C ATOM 116 O LYS A 10 -4.818 6.436 9.316 1.00 51.40 O ATOM 117 CB LYS A 10 -3.310 9.308 9.128 1.00 62.43 C ATOM 118 CG LYS A 10 -1.951 9.825 9.568 1.00 33.13 C ATOM 119 CD LYS A 10 -2.051 10.643 10.845 1.00 24.32 C ATOM 120 CE LYS A 10 -0.913 10.325 11.801 1.00 64.13 C ATOM 121 NZ LYS A 10 -0.658 11.444 12.752 1.00 33.44 N ATOM 0 H LYS A 10 -2.739 9.195 6.734 1.00 23.53 H new ATOM 0 HA LYS A 10 -2.493 7.342 8.830 1.00 12.21 H new ATOM 0 HB2 LYS A 10 -3.787 10.057 8.495 1.00 62.43 H new ATOM 0 HB3 LYS A 10 -3.943 9.183 10.006 1.00 62.43 H new ATOM 0 HG2 LYS A 10 -1.275 8.985 9.725 1.00 33.13 H new ATOM 0 HG3 LYS A 10 -1.520 10.437 8.776 1.00 33.13 H new ATOM 0 HD2 LYS A 10 -2.036 11.705 10.600 1.00 24.32 H new ATOM 0 HD3 LYS A 10 -3.005 10.442 11.333 1.00 24.32 H new ATOM 0 HE2 LYS A 10 -1.151 9.420 12.360 1.00 64.13 H new ATOM 0 HE3 LYS A 10 -0.007 10.119 11.231 1.00 64.13 H new ATOM 0 HZ1 LYS A 10 0.125 11.188 13.387 1.00 33.44 H new ATOM 0 HZ2 LYS A 10 -0.406 12.301 12.220 1.00 33.44 H new ATOM 0 HZ3 LYS A 10 -1.514 11.624 13.314 1.00 33.44 H new ATOM 135 N MET A 11 -5.487 7.614 7.520 1.00 52.13 N ATOM 136 CA MET A 11 -6.813 7.008 7.480 1.00 3.50 C ATOM 137 C MET A 11 -6.725 5.531 7.108 1.00 22.15 C ATOM 138 O MET A 11 -7.476 4.706 7.625 1.00 72.24 O ATOM 139 CB MET A 11 -7.704 7.746 6.480 1.00 24.41 C ATOM 140 CG MET A 11 -8.141 9.122 6.956 1.00 3.24 C ATOM 141 SD MET A 11 -8.834 10.128 5.629 1.00 70.21 S ATOM 142 CE MET A 11 -9.546 11.479 6.565 1.00 3.13 C ATOM 0 H MET A 11 -5.317 8.306 6.790 1.00 52.13 H new ATOM 0 HA MET A 11 -7.252 7.088 8.474 1.00 3.50 H new ATOM 0 HB2 MET A 11 -7.168 7.850 5.536 1.00 24.41 H new ATOM 0 HB3 MET A 11 -8.589 7.142 6.279 1.00 24.41 H new ATOM 0 HG2 MET A 11 -8.883 9.010 7.747 1.00 3.24 H new ATOM 0 HG3 MET A 11 -7.286 9.640 7.391 1.00 3.24 H new ATOM 0 HE1 MET A 11 -10.014 12.188 5.882 1.00 3.13 H new ATOM 0 HE2 MET A 11 -10.296 11.089 7.253 1.00 3.13 H new ATOM 0 HE3 MET A 11 -8.762 11.983 7.130 1.00 3.13 H new ATOM 152 N ALA A 12 -5.803 5.207 6.208 1.00 35.11 N ATOM 153 CA ALA A 12 -5.617 3.830 5.767 1.00 52.02 C ATOM 154 C ALA A 12 -5.148 2.945 6.918 1.00 55.40 C ATOM 155 O ALA A 12 -5.689 1.861 7.140 1.00 4.22 O ATOM 156 CB ALA A 12 -4.623 3.773 4.616 1.00 50.42 C ATOM 0 H ALA A 12 -5.173 5.879 5.770 1.00 35.11 H new ATOM 0 HA ALA A 12 -6.579 3.452 5.420 1.00 52.02 H new ATOM 0 HB1 ALA A 12 -4.494 2.739 4.297 1.00 50.42 H new ATOM 0 HB2 ALA A 12 -4.998 4.366 3.782 1.00 50.42 H new ATOM 0 HB3 ALA A 12 -3.664 4.174 4.943 1.00 50.42 H new ATOM 162 N ILE A 13 -4.138 3.412 7.644 1.00 3.51 N ATOM 163 CA ILE A 13 -3.597 2.663 8.771 1.00 44.21 C ATOM 164 C ILE A 13 -4.552 2.693 9.959 1.00 42.35 C ATOM 165 O ILE A 13 -4.752 1.683 10.635 1.00 32.52 O ATOM 166 CB ILE A 13 -2.230 3.217 9.212 1.00 11.44 C ATOM 167 CG1 ILE A 13 -1.238 3.172 8.047 1.00 4.54 C ATOM 168 CG2 ILE A 13 -1.696 2.430 10.399 1.00 34.24 C ATOM 169 CD1 ILE A 13 0.132 3.710 8.399 1.00 20.22 C ATOM 0 H ILE A 13 -3.678 4.306 7.472 1.00 3.51 H new ATOM 0 HA ILE A 13 -3.471 1.634 8.434 1.00 44.21 H new ATOM 0 HB ILE A 13 -2.357 4.255 9.518 1.00 11.44 H new ATOM 0 HG12 ILE A 13 -1.138 2.142 7.705 1.00 4.54 H new ATOM 0 HG13 ILE A 13 -1.642 3.747 7.214 1.00 4.54 H new ATOM 0 HG21 ILE A 13 -0.729 2.834 10.698 1.00 34.24 H new ATOM 0 HG22 ILE A 13 -2.395 2.508 11.231 1.00 34.24 H new ATOM 0 HG23 ILE A 13 -1.580 1.383 10.119 1.00 34.24 H new ATOM 0 HD11 ILE A 13 0.783 3.647 7.527 1.00 20.22 H new ATOM 0 HD12 ILE A 13 0.045 4.750 8.713 1.00 20.22 H new ATOM 0 HD13 ILE A 13 0.557 3.120 9.211 1.00 20.22 H new ATOM 181 N LYS A 14 -5.140 3.857 10.210 1.00 2.32 N ATOM 182 CA LYS A 14 -6.077 4.020 11.315 1.00 61.41 C ATOM 183 C LYS A 14 -7.193 2.982 11.241 1.00 12.42 C ATOM 184 O LYS A 14 -7.581 2.400 12.253 1.00 44.35 O ATOM 185 CB LYS A 14 -6.676 5.429 11.300 1.00 61.24 C ATOM 186 CG LYS A 14 -7.710 5.662 12.389 1.00 54.40 C ATOM 187 CD LYS A 14 -9.122 5.645 11.829 1.00 42.41 C ATOM 188 CE LYS A 14 -10.153 5.932 12.910 1.00 1.44 C ATOM 189 NZ LYS A 14 -11.361 5.074 12.766 1.00 44.11 N ATOM 0 H LYS A 14 -4.984 4.703 9.662 1.00 2.32 H new ATOM 0 HA LYS A 14 -5.530 3.874 12.246 1.00 61.41 H new ATOM 0 HB2 LYS A 14 -5.873 6.157 11.411 1.00 61.24 H new ATOM 0 HB3 LYS A 14 -7.137 5.609 10.329 1.00 61.24 H new ATOM 0 HG2 LYS A 14 -7.612 4.893 13.155 1.00 54.40 H new ATOM 0 HG3 LYS A 14 -7.521 6.620 12.873 1.00 54.40 H new ATOM 0 HD2 LYS A 14 -9.209 6.387 11.035 1.00 42.41 H new ATOM 0 HD3 LYS A 14 -9.325 4.673 11.380 1.00 42.41 H new ATOM 0 HE2 LYS A 14 -9.706 5.768 13.891 1.00 1.44 H new ATOM 0 HE3 LYS A 14 -10.445 6.981 12.864 1.00 1.44 H new ATOM 0 HZ1 LYS A 14 -12.039 5.300 13.521 1.00 44.11 H new ATOM 0 HZ2 LYS A 14 -11.802 5.248 11.841 1.00 44.11 H new ATOM 0 HZ3 LYS A 14 -11.086 4.073 12.836 1.00 44.11 H new ATOM 203 N ARG A 15 -7.702 2.753 10.035 1.00 11.35 N ATOM 204 CA ARG A 15 -8.772 1.785 9.828 1.00 65.55 C ATOM 205 C ARG A 15 -8.237 0.358 9.912 1.00 64.41 C ATOM 206 O ARG A 15 -8.876 -0.522 10.491 1.00 21.43 O ATOM 207 CB ARG A 15 -9.440 2.011 8.471 1.00 2.35 C ATOM 208 CG ARG A 15 -10.039 3.399 8.311 1.00 71.15 C ATOM 209 CD ARG A 15 -11.555 3.366 8.418 1.00 24.33 C ATOM 210 NE ARG A 15 -12.002 3.016 9.764 1.00 3.34 N ATOM 211 CZ ARG A 15 -13.280 2.924 10.114 1.00 43.11 C ATOM 212 NH1 ARG A 15 -14.234 3.154 9.221 1.00 53.41 N ATOM 213 NH2 ARG A 15 -13.607 2.600 11.358 1.00 44.45 N ATOM 0 H ARG A 15 -7.390 3.225 9.186 1.00 11.35 H new ATOM 0 HA ARG A 15 -9.512 1.926 10.616 1.00 65.55 H new ATOM 0 HB2 ARG A 15 -8.705 1.848 7.682 1.00 2.35 H new ATOM 0 HB3 ARG A 15 -10.225 1.268 8.334 1.00 2.35 H new ATOM 0 HG2 ARG A 15 -9.633 4.062 9.075 1.00 71.15 H new ATOM 0 HG3 ARG A 15 -9.750 3.812 7.345 1.00 71.15 H new ATOM 0 HD2 ARG A 15 -11.959 4.341 8.144 1.00 24.33 H new ATOM 0 HD3 ARG A 15 -11.953 2.644 7.705 1.00 24.33 H new ATOM 0 HE ARG A 15 -11.293 2.832 10.474 1.00 3.34 H new ATOM 0 HH11 ARG A 15 -13.987 3.402 8.263 1.00 53.41 H new ATOM 0 HH12 ARG A 15 -15.215 3.083 9.492 1.00 53.41 H new ATOM 0 HH21 ARG A 15 -12.877 2.421 12.047 1.00 44.45 H new ATOM 0 HH22 ARG A 15 -14.589 2.530 11.625 1.00 44.45 H new ATOM 227 N CYS A 16 -7.063 0.136 9.332 1.00 2.24 N ATOM 228 CA CYS A 16 -6.443 -1.183 9.340 1.00 64.43 C ATOM 229 C CYS A 16 -6.214 -1.668 10.768 1.00 61.43 C ATOM 230 O CYS A 16 -6.130 -2.870 11.020 1.00 54.12 O ATOM 231 CB CYS A 16 -5.116 -1.151 8.580 1.00 64.35 C ATOM 232 SG CYS A 16 -5.294 -1.192 6.781 1.00 41.24 S ATOM 0 H CYS A 16 -6.521 0.853 8.850 1.00 2.24 H new ATOM 0 HA CYS A 16 -7.120 -1.878 8.844 1.00 64.43 H new ATOM 0 HB2 CYS A 16 -4.571 -0.249 8.860 1.00 64.35 H new ATOM 0 HB3 CYS A 16 -4.509 -2.001 8.894 1.00 64.35 H new ATOM 0 HG CYS A 16 -5.490 0.014 6.337 1.00 41.24 H new ATOM 238 N SER A 17 -6.113 -0.725 11.699 1.00 4.03 N ATOM 239 CA SER A 17 -5.889 -1.055 13.101 1.00 11.41 C ATOM 240 C SER A 17 -6.961 -2.011 13.612 1.00 72.24 C ATOM 241 O SER A 17 -6.736 -2.763 14.561 1.00 24.25 O ATOM 242 CB SER A 17 -5.877 0.217 13.951 1.00 40.21 C ATOM 243 OG SER A 17 -5.315 -0.029 15.228 1.00 52.32 O ATOM 0 H SER A 17 -6.183 0.274 11.507 1.00 4.03 H new ATOM 0 HA SER A 17 -4.920 -1.547 13.182 1.00 11.41 H new ATOM 0 HB2 SER A 17 -5.305 0.993 13.442 1.00 40.21 H new ATOM 0 HB3 SER A 17 -6.894 0.592 14.064 1.00 40.21 H new ATOM 0 HG SER A 17 -5.317 0.799 15.752 1.00 52.32 H new ATOM 249 N ASN A 18 -8.128 -1.977 12.977 1.00 53.41 N ATOM 250 CA ASN A 18 -9.237 -2.841 13.367 1.00 53.44 C ATOM 251 C ASN A 18 -9.267 -4.105 12.514 1.00 21.55 C ATOM 252 O ASN A 18 -10.325 -4.701 12.306 1.00 72.32 O ATOM 253 CB ASN A 18 -10.563 -2.091 13.237 1.00 22.44 C ATOM 254 CG ASN A 18 -10.697 -0.970 14.250 1.00 12.31 C ATOM 255 OD1 ASN A 18 -10.120 -1.028 15.335 1.00 61.12 O ATOM 256 ND2 ASN A 18 -11.460 0.058 13.898 1.00 34.33 N ATOM 0 H ASN A 18 -8.331 -1.360 12.190 1.00 53.41 H new ATOM 0 HA ASN A 18 -9.092 -3.131 14.408 1.00 53.44 H new ATOM 0 HB2 ASN A 18 -10.647 -1.680 12.231 1.00 22.44 H new ATOM 0 HB3 ASN A 18 -11.388 -2.792 13.365 1.00 22.44 H new ATOM 0 HD21 ASN A 18 -11.586 0.842 14.538 1.00 34.33 H new ATOM 0 HD22 ASN A 18 -11.920 0.064 12.987 1.00 34.33 H new ATOM 263 N VAL A 19 -8.101 -4.509 12.021 1.00 1.11 N ATOM 264 CA VAL A 19 -7.994 -5.703 11.192 1.00 54.22 C ATOM 265 C VAL A 19 -7.275 -6.824 11.934 1.00 35.44 C ATOM 266 O VAL A 19 -6.299 -6.587 12.644 1.00 23.51 O ATOM 267 CB VAL A 19 -7.245 -5.409 9.879 1.00 55.40 C ATOM 268 CG1 VAL A 19 -7.113 -6.674 9.044 1.00 24.34 C ATOM 269 CG2 VAL A 19 -7.953 -4.315 9.095 1.00 61.41 C ATOM 0 H VAL A 19 -7.217 -4.027 12.182 1.00 1.11 H new ATOM 0 HA VAL A 19 -9.011 -6.019 10.959 1.00 54.22 H new ATOM 0 HB VAL A 19 -6.243 -5.058 10.124 1.00 55.40 H new ATOM 0 HG11 VAL A 19 -6.581 -6.446 8.120 1.00 24.34 H new ATOM 0 HG12 VAL A 19 -6.558 -7.425 9.606 1.00 24.34 H new ATOM 0 HG13 VAL A 19 -8.105 -7.058 8.806 1.00 24.34 H new ATOM 0 HG21 VAL A 19 -7.410 -4.120 8.170 1.00 61.41 H new ATOM 0 HG22 VAL A 19 -8.968 -4.635 8.859 1.00 61.41 H new ATOM 0 HG23 VAL A 19 -7.989 -3.404 9.693 1.00 61.41 H new ATOM 279 N ALA A 20 -7.765 -8.048 11.763 1.00 30.25 N ATOM 280 CA ALA A 20 -7.168 -9.209 12.415 1.00 4.35 C ATOM 281 C ALA A 20 -6.233 -9.950 11.465 1.00 32.33 C ATOM 282 O ALA A 20 -6.680 -10.725 10.618 1.00 14.30 O ATOM 283 CB ALA A 20 -8.254 -10.142 12.927 1.00 74.24 C ATOM 0 H ALA A 20 -8.573 -8.262 11.179 1.00 30.25 H new ATOM 0 HA ALA A 20 -6.578 -8.858 13.262 1.00 4.35 H new ATOM 0 HB1 ALA A 20 -7.795 -11.004 13.411 1.00 74.24 H new ATOM 0 HB2 ALA A 20 -8.879 -9.613 13.646 1.00 74.24 H new ATOM 0 HB3 ALA A 20 -8.867 -10.479 12.092 1.00 74.24 H new ATOM 289 N VAL A 21 -4.935 -9.708 11.611 1.00 53.23 N ATOM 290 CA VAL A 21 -3.937 -10.355 10.767 1.00 11.43 C ATOM 291 C VAL A 21 -4.047 -11.873 10.851 1.00 32.12 C ATOM 292 O VAL A 21 -3.664 -12.585 9.924 1.00 31.02 O ATOM 293 CB VAL A 21 -2.510 -9.931 11.161 1.00 51.21 C ATOM 294 CG1 VAL A 21 -1.500 -10.448 10.148 1.00 30.42 C ATOM 295 CG2 VAL A 21 -2.419 -8.419 11.291 1.00 43.44 C ATOM 0 H VAL A 21 -4.549 -9.069 12.306 1.00 53.23 H new ATOM 0 HA VAL A 21 -4.133 -10.036 9.743 1.00 11.43 H new ATOM 0 HB VAL A 21 -2.275 -10.371 12.130 1.00 51.21 H new ATOM 0 HG11 VAL A 21 -0.497 -10.138 10.443 1.00 30.42 H new ATOM 0 HG12 VAL A 21 -1.547 -11.536 10.110 1.00 30.42 H new ATOM 0 HG13 VAL A 21 -1.730 -10.040 9.164 1.00 30.42 H new ATOM 0 HG21 VAL A 21 -1.403 -8.138 11.570 1.00 43.44 H new ATOM 0 HG22 VAL A 21 -2.675 -7.956 10.338 1.00 43.44 H new ATOM 0 HG23 VAL A 21 -3.114 -8.077 12.058 1.00 43.44 H new ATOM 375 N LYS A 28 -2.609 -10.488 17.163 1.00 34.43 N ATOM 376 CA LYS A 28 -2.283 -10.448 15.742 1.00 10.30 C ATOM 377 C LYS A 28 -3.132 -9.407 15.019 1.00 14.54 C ATOM 378 O LYS A 28 -3.974 -9.747 14.188 1.00 12.24 O ATOM 379 CB LYS A 28 -2.496 -11.825 15.109 1.00 4.40 C ATOM 380 CG LYS A 28 -1.431 -12.839 15.488 1.00 24.22 C ATOM 381 CD LYS A 28 -1.306 -13.933 14.441 1.00 51.31 C ATOM 382 CE LYS A 28 -0.310 -15.001 14.868 1.00 35.21 C ATOM 383 NZ LYS A 28 0.958 -14.918 14.091 1.00 30.42 N ATOM 0 HA LYS A 28 -1.234 -10.169 15.643 1.00 10.30 H new ATOM 0 HB2 LYS A 28 -3.472 -12.206 15.409 1.00 4.40 H new ATOM 0 HB3 LYS A 28 -2.515 -11.718 14.024 1.00 4.40 H new ATOM 0 HG2 LYS A 28 -0.472 -12.334 15.605 1.00 24.22 H new ATOM 0 HG3 LYS A 28 -1.677 -13.283 16.452 1.00 24.22 H new ATOM 0 HD2 LYS A 28 -2.281 -14.390 14.272 1.00 51.31 H new ATOM 0 HD3 LYS A 28 -0.990 -13.497 13.493 1.00 51.31 H new ATOM 0 HE2 LYS A 28 -0.093 -14.891 15.931 1.00 35.21 H new ATOM 0 HE3 LYS A 28 -0.755 -15.987 14.734 1.00 35.21 H new ATOM 0 HZ1 LYS A 28 1.611 -15.662 14.411 1.00 30.42 H new ATOM 0 HZ2 LYS A 28 0.754 -15.048 13.079 1.00 30.42 H new ATOM 0 HZ3 LYS A 28 1.396 -13.986 14.239 1.00 30.42 H new ATOM 397 N LYS A 29 -2.905 -8.138 15.339 1.00 44.45 N ATOM 398 CA LYS A 29 -3.646 -7.046 14.719 1.00 72.40 C ATOM 399 C LYS A 29 -2.743 -6.226 13.805 1.00 43.52 C ATOM 400 O LYS A 29 -1.525 -6.194 13.984 1.00 62.31 O ATOM 401 CB LYS A 29 -4.260 -6.144 15.792 1.00 74.23 C ATOM 402 CG LYS A 29 -5.684 -5.715 15.484 1.00 13.11 C ATOM 403 CD LYS A 29 -6.652 -6.883 15.580 1.00 42.40 C ATOM 404 CE LYS A 29 -7.126 -7.097 17.010 1.00 2.34 C ATOM 405 NZ LYS A 29 -8.612 -7.091 17.107 1.00 61.11 N ATOM 0 H LYS A 29 -2.212 -7.840 16.026 1.00 44.45 H new ATOM 0 HA LYS A 29 -4.445 -7.478 14.117 1.00 72.40 H new ATOM 0 HB2 LYS A 29 -4.246 -6.669 16.747 1.00 74.23 H new ATOM 0 HB3 LYS A 29 -3.639 -5.256 15.907 1.00 74.23 H new ATOM 0 HG2 LYS A 29 -5.987 -4.932 16.179 1.00 13.11 H new ATOM 0 HG3 LYS A 29 -5.727 -5.287 14.483 1.00 13.11 H new ATOM 0 HD2 LYS A 29 -7.511 -6.699 14.934 1.00 42.40 H new ATOM 0 HD3 LYS A 29 -6.168 -7.789 15.216 1.00 42.40 H new ATOM 0 HE2 LYS A 29 -6.741 -8.047 17.382 1.00 2.34 H new ATOM 0 HE3 LYS A 29 -6.717 -6.315 17.649 1.00 2.34 H new ATOM 0 HZ1 LYS A 29 -8.896 -7.240 18.096 1.00 61.11 H new ATOM 0 HZ2 LYS A 29 -8.978 -6.176 16.776 1.00 61.11 H new ATOM 0 HZ3 LYS A 29 -9.002 -7.854 16.517 1.00 61.11 H new ATOM 419 N PHE A 30 -3.347 -5.560 12.826 1.00 55.41 N ATOM 420 CA PHE A 30 -2.596 -4.737 11.885 1.00 52.12 C ATOM 421 C PHE A 30 -1.856 -3.618 12.611 1.00 0.44 C ATOM 422 O PHE A 30 -1.801 -3.589 13.839 1.00 12.12 O ATOM 423 CB PHE A 30 -3.534 -4.144 10.831 1.00 44.12 C ATOM 424 CG PHE A 30 -3.140 -4.478 9.422 1.00 20.44 C ATOM 425 CD1 PHE A 30 -3.475 -5.702 8.866 1.00 24.44 C ATOM 426 CD2 PHE A 30 -2.434 -3.568 8.652 1.00 33.23 C ATOM 427 CE1 PHE A 30 -3.115 -6.013 7.568 1.00 52.44 C ATOM 428 CE2 PHE A 30 -2.070 -3.873 7.353 1.00 71.52 C ATOM 429 CZ PHE A 30 -2.411 -5.097 6.812 1.00 14.45 C ATOM 0 H PHE A 30 -4.354 -5.574 12.664 1.00 55.41 H new ATOM 0 HA PHE A 30 -1.862 -5.373 11.391 1.00 52.12 H new ATOM 0 HB2 PHE A 30 -4.546 -4.506 11.012 1.00 44.12 H new ATOM 0 HB3 PHE A 30 -3.558 -3.060 10.946 1.00 44.12 H new ATOM 0 HD1 PHE A 30 -4.024 -6.422 9.454 1.00 24.44 H new ATOM 0 HD2 PHE A 30 -2.165 -2.610 9.071 1.00 33.23 H new ATOM 0 HE1 PHE A 30 -3.384 -6.970 7.146 1.00 52.44 H new ATOM 0 HE2 PHE A 30 -1.520 -3.155 6.763 1.00 71.52 H new ATOM 0 HZ PHE A 30 -2.127 -5.338 5.798 1.00 14.45 H new ATOM 439 N GLY A 31 -1.286 -2.695 11.839 1.00 51.04 N ATOM 440 CA GLY A 31 -0.556 -1.587 12.426 1.00 2.11 C ATOM 441 C GLY A 31 0.433 -0.968 11.458 1.00 23.03 C ATOM 442 O GLY A 31 0.706 -1.528 10.397 1.00 63.42 O ATOM 0 H GLY A 31 -1.317 -2.696 10.819 1.00 51.04 H new ATOM 0 HA2 GLY A 31 -1.262 -0.825 12.757 1.00 2.11 H new ATOM 0 HA3 GLY A 31 -0.024 -1.935 13.312 1.00 2.11 H new ATOM 446 N GLU A 32 0.970 0.192 11.824 1.00 2.11 N ATOM 447 CA GLU A 32 1.933 0.888 10.978 1.00 33.11 C ATOM 448 C GLU A 32 3.166 0.023 10.732 1.00 40.33 C ATOM 449 O GLU A 32 3.646 -0.085 9.605 1.00 0.24 O ATOM 450 CB GLU A 32 2.345 2.214 11.622 1.00 54.23 C ATOM 451 CG GLU A 32 3.249 3.061 10.742 1.00 3.31 C ATOM 452 CD GLU A 32 3.037 4.548 10.950 1.00 3.13 C ATOM 453 OE1 GLU A 32 3.305 5.035 12.069 1.00 32.15 O ATOM 454 OE2 GLU A 32 2.602 5.225 9.995 1.00 50.52 O ATOM 0 H GLU A 32 0.755 0.669 12.700 1.00 2.11 H new ATOM 0 HA GLU A 32 1.457 1.091 10.019 1.00 33.11 H new ATOM 0 HB2 GLU A 32 1.449 2.785 11.864 1.00 54.23 H new ATOM 0 HB3 GLU A 32 2.856 2.009 12.563 1.00 54.23 H new ATOM 0 HG2 GLU A 32 4.290 2.813 10.951 1.00 3.31 H new ATOM 0 HG3 GLU A 32 3.067 2.814 9.696 1.00 3.31 H new ATOM 461 N GLY A 33 3.674 -0.590 11.797 1.00 21.32 N ATOM 462 CA GLY A 33 4.846 -1.437 11.676 1.00 14.53 C ATOM 463 C GLY A 33 4.584 -2.674 10.841 1.00 14.32 C ATOM 464 O GLY A 33 5.431 -3.087 10.049 1.00 62.10 O ATOM 0 H GLY A 33 3.295 -0.515 12.741 1.00 21.32 H new ATOM 0 HA2 GLY A 33 5.659 -0.865 11.228 1.00 14.53 H new ATOM 0 HA3 GLY A 33 5.178 -1.737 12.670 1.00 14.53 H new ATOM 468 N ASN A 34 3.410 -3.269 11.019 1.00 44.24 N ATOM 469 CA ASN A 34 3.041 -4.469 10.277 1.00 25.15 C ATOM 470 C ASN A 34 3.016 -4.195 8.776 1.00 43.40 C ATOM 471 O ASN A 34 3.653 -4.900 7.995 1.00 52.42 O ATOM 472 CB ASN A 34 1.671 -4.977 10.736 1.00 42.43 C ATOM 473 CG ASN A 34 1.650 -5.327 12.211 1.00 73.41 C ATOM 474 OD1 ASN A 34 2.059 -4.531 13.056 1.00 40.15 O ATOM 475 ND2 ASN A 34 1.172 -6.526 12.527 1.00 42.31 N ATOM 0 H ASN A 34 2.697 -2.940 11.671 1.00 44.24 H new ATOM 0 HA ASN A 34 3.791 -5.234 10.477 1.00 25.15 H new ATOM 0 HB2 ASN A 34 0.918 -4.215 10.535 1.00 42.43 H new ATOM 0 HB3 ASN A 34 1.398 -5.856 10.153 1.00 42.43 H new ATOM 0 HD21 ASN A 34 1.133 -6.819 13.503 1.00 42.31 H new ATOM 0 HD22 ASN A 34 0.844 -7.154 11.793 1.00 42.31 H new ATOM 482 N PHE A 35 2.276 -3.164 8.380 1.00 64.43 N ATOM 483 CA PHE A 35 2.168 -2.796 6.974 1.00 1.02 C ATOM 484 C PHE A 35 3.547 -2.557 6.366 1.00 52.33 C ATOM 485 O PHE A 35 3.842 -3.026 5.268 1.00 33.23 O ATOM 486 CB PHE A 35 1.306 -1.541 6.818 1.00 3.25 C ATOM 487 CG PHE A 35 1.272 -1.007 5.415 1.00 0.03 C ATOM 488 CD1 PHE A 35 1.513 0.334 5.163 1.00 32.12 C ATOM 489 CD2 PHE A 35 1.000 -1.846 4.347 1.00 33.24 C ATOM 490 CE1 PHE A 35 1.483 0.828 3.872 1.00 5.40 C ATOM 491 CE2 PHE A 35 0.969 -1.358 3.054 1.00 54.42 C ATOM 492 CZ PHE A 35 1.210 -0.019 2.817 1.00 33.11 C ATOM 0 H PHE A 35 1.742 -2.569 9.014 1.00 64.43 H new ATOM 0 HA PHE A 35 1.695 -3.623 6.444 1.00 1.02 H new ATOM 0 HB2 PHE A 35 0.288 -1.767 7.137 1.00 3.25 H new ATOM 0 HB3 PHE A 35 1.684 -0.765 7.484 1.00 3.25 H new ATOM 0 HD1 PHE A 35 1.727 1.001 5.985 1.00 32.12 H new ATOM 0 HD2 PHE A 35 0.810 -2.894 4.527 1.00 33.24 H new ATOM 0 HE1 PHE A 35 1.673 1.875 3.689 1.00 5.40 H new ATOM 0 HE2 PHE A 35 0.757 -2.023 2.230 1.00 54.42 H new ATOM 0 HZ PHE A 35 1.185 0.365 1.808 1.00 33.11 H new ATOM 502 N ARG A 36 4.387 -1.825 7.090 1.00 42.22 N ATOM 503 CA ARG A 36 5.734 -1.522 6.623 1.00 55.14 C ATOM 504 C ARG A 36 6.557 -2.799 6.473 1.00 10.05 C ATOM 505 O ARG A 36 7.304 -2.957 5.506 1.00 44.44 O ATOM 506 CB ARG A 36 6.430 -0.566 7.593 1.00 14.43 C ATOM 507 CG ARG A 36 5.713 0.764 7.757 1.00 62.34 C ATOM 508 CD ARG A 36 6.354 1.852 6.909 1.00 32.41 C ATOM 509 NE ARG A 36 7.464 2.502 7.601 1.00 33.45 N ATOM 510 CZ ARG A 36 7.303 3.427 8.540 1.00 75.05 C ATOM 511 NH1 ARG A 36 6.086 3.807 8.900 1.00 40.32 N ATOM 512 NH2 ARG A 36 8.364 3.971 9.124 1.00 44.40 N ATOM 0 H ARG A 36 4.158 -1.431 8.003 1.00 42.22 H new ATOM 0 HA ARG A 36 5.654 -1.044 5.647 1.00 55.14 H new ATOM 0 HB2 ARG A 36 6.513 -1.047 8.568 1.00 14.43 H new ATOM 0 HB3 ARG A 36 7.445 -0.381 7.242 1.00 14.43 H new ATOM 0 HG2 ARG A 36 4.666 0.651 7.475 1.00 62.34 H new ATOM 0 HG3 ARG A 36 5.731 1.061 8.806 1.00 62.34 H new ATOM 0 HD2 ARG A 36 6.712 1.420 5.975 1.00 32.41 H new ATOM 0 HD3 ARG A 36 5.603 2.598 6.648 1.00 32.41 H new ATOM 0 HE ARG A 36 8.414 2.231 7.349 1.00 33.45 H new ATOM 0 HH11 ARG A 36 5.269 3.389 8.456 1.00 40.32 H new ATOM 0 HH12 ARG A 36 5.966 4.518 9.622 1.00 40.32 H new ATOM 0 HH21 ARG A 36 9.302 3.678 8.851 1.00 44.40 H new ATOM 0 HH22 ARG A 36 8.241 4.682 9.845 1.00 44.40 H new ATOM 526 N TRP A 37 6.415 -3.704 7.433 1.00 33.03 N ATOM 527 CA TRP A 37 7.146 -4.967 7.407 1.00 43.21 C ATOM 528 C TRP A 37 6.889 -5.718 6.106 1.00 1.12 C ATOM 529 O TRP A 37 7.817 -6.224 5.477 1.00 1.11 O ATOM 530 CB TRP A 37 6.745 -5.836 8.600 1.00 34.42 C ATOM 531 CG TRP A 37 7.275 -7.236 8.519 1.00 64.41 C ATOM 532 CD1 TRP A 37 8.443 -7.701 9.051 1.00 74.14 C ATOM 533 CD2 TRP A 37 6.656 -8.350 7.867 1.00 63.42 C ATOM 534 NE1 TRP A 37 8.588 -9.038 8.769 1.00 22.22 N ATOM 535 CE2 TRP A 37 7.504 -9.460 8.045 1.00 74.14 C ATOM 536 CE3 TRP A 37 5.466 -8.519 7.154 1.00 33.42 C ATOM 537 CZ2 TRP A 37 7.200 -10.718 7.532 1.00 75.53 C ATOM 538 CZ3 TRP A 37 5.166 -9.769 6.645 1.00 41.45 C ATOM 539 CH2 TRP A 37 6.030 -10.855 6.837 1.00 24.24 C ATOM 0 H TRP A 37 5.801 -3.588 8.239 1.00 33.03 H new ATOM 0 HA TRP A 37 8.211 -4.743 7.471 1.00 43.21 H new ATOM 0 HB2 TRP A 37 7.106 -5.371 9.517 1.00 34.42 H new ATOM 0 HB3 TRP A 37 5.658 -5.870 8.667 1.00 34.42 H new ATOM 0 HD1 TRP A 37 9.149 -7.106 9.611 1.00 74.14 H new ATOM 0 HE1 TRP A 37 9.375 -9.622 9.053 1.00 22.22 H new ATOM 0 HE3 TRP A 37 4.793 -7.688 7.003 1.00 33.42 H new ATOM 0 HZ2 TRP A 37 7.865 -11.557 7.678 1.00 75.53 H new ATOM 0 HZ3 TRP A 37 4.250 -9.911 6.090 1.00 41.45 H new ATOM 0 HH2 TRP A 37 5.767 -11.819 6.428 1.00 24.24 H new ATOM 550 N ALA A 38 5.623 -5.785 5.707 1.00 70.51 N ATOM 551 CA ALA A 38 5.245 -6.474 4.478 1.00 45.44 C ATOM 552 C ALA A 38 5.814 -5.764 3.255 1.00 32.43 C ATOM 553 O ALA A 38 6.261 -6.407 2.305 1.00 12.13 O ATOM 554 CB ALA A 38 3.730 -6.575 4.375 1.00 43.02 C ATOM 0 H ALA A 38 4.842 -5.371 6.216 1.00 70.51 H new ATOM 0 HA ALA A 38 5.664 -7.480 4.510 1.00 45.44 H new ATOM 0 HB1 ALA A 38 3.462 -7.091 3.453 1.00 43.02 H new ATOM 0 HB2 ALA A 38 3.344 -7.132 5.229 1.00 43.02 H new ATOM 0 HB3 ALA A 38 3.298 -5.574 4.369 1.00 43.02 H new ATOM 560 N ILE A 39 5.793 -4.436 3.284 1.00 14.23 N ATOM 561 CA ILE A 39 6.308 -3.640 2.177 1.00 21.13 C ATOM 562 C ILE A 39 7.799 -3.886 1.969 1.00 33.12 C ATOM 563 O ILE A 39 8.234 -4.227 0.869 1.00 73.34 O ATOM 564 CB ILE A 39 6.075 -2.135 2.409 1.00 54.11 C ATOM 565 CG1 ILE A 39 4.580 -1.846 2.559 1.00 11.42 C ATOM 566 CG2 ILE A 39 6.664 -1.325 1.264 1.00 14.24 C ATOM 567 CD1 ILE A 39 4.281 -0.658 3.446 1.00 40.23 C ATOM 0 H ILE A 39 5.425 -3.889 4.062 1.00 14.23 H new ATOM 0 HA ILE A 39 5.763 -3.951 1.285 1.00 21.13 H new ATOM 0 HB ILE A 39 6.577 -1.842 3.331 1.00 54.11 H new ATOM 0 HG12 ILE A 39 4.151 -1.670 1.572 1.00 11.42 H new ATOM 0 HG13 ILE A 39 4.087 -2.728 2.968 1.00 11.42 H new ATOM 0 HG21 ILE A 39 6.491 -0.264 1.443 1.00 14.24 H new ATOM 0 HG22 ILE A 39 7.736 -1.512 1.199 1.00 14.24 H new ATOM 0 HG23 ILE A 39 6.188 -1.618 0.328 1.00 14.24 H new ATOM 0 HD11 ILE A 39 3.203 -0.512 3.507 1.00 40.23 H new ATOM 0 HD12 ILE A 39 4.680 -0.840 4.444 1.00 40.23 H new ATOM 0 HD13 ILE A 39 4.745 0.235 3.027 1.00 40.23 H new ATOM 579 N ARG A 40 8.576 -3.711 3.033 1.00 22.45 N ATOM 580 CA ARG A 40 10.018 -3.915 2.967 1.00 61.11 C ATOM 581 C ARG A 40 10.346 -5.304 2.428 1.00 42.34 C ATOM 582 O ARG A 40 11.237 -5.462 1.593 1.00 23.22 O ATOM 583 CB ARG A 40 10.643 -3.732 4.352 1.00 11.21 C ATOM 584 CG ARG A 40 12.159 -3.626 4.326 1.00 13.04 C ATOM 585 CD ARG A 40 12.668 -2.657 5.382 1.00 71.21 C ATOM 586 NE ARG A 40 13.023 -1.361 4.810 1.00 32.05 N ATOM 587 CZ ARG A 40 13.658 -0.409 5.484 1.00 73.52 C ATOM 588 NH1 ARG A 40 14.006 -0.608 6.747 1.00 45.31 N ATOM 589 NH2 ARG A 40 13.946 0.744 4.894 1.00 61.33 N ATOM 0 H ARG A 40 8.231 -3.429 3.950 1.00 22.45 H new ATOM 0 HA ARG A 40 10.435 -3.173 2.286 1.00 61.11 H new ATOM 0 HB2 ARG A 40 10.232 -2.833 4.811 1.00 11.21 H new ATOM 0 HB3 ARG A 40 10.357 -4.572 4.985 1.00 11.21 H new ATOM 0 HG2 ARG A 40 12.597 -4.610 4.493 1.00 13.04 H new ATOM 0 HG3 ARG A 40 12.485 -3.295 3.340 1.00 13.04 H new ATOM 0 HD2 ARG A 40 11.903 -2.519 6.146 1.00 71.21 H new ATOM 0 HD3 ARG A 40 13.539 -3.086 5.877 1.00 71.21 H new ATOM 0 HE ARG A 40 12.769 -1.177 3.839 1.00 32.05 H new ATOM 0 HH11 ARG A 40 13.786 -1.493 7.203 1.00 45.31 H new ATOM 0 HH12 ARG A 40 14.494 0.124 7.263 1.00 45.31 H new ATOM 0 HH21 ARG A 40 13.680 0.900 3.922 1.00 61.33 H new ATOM 0 HH22 ARG A 40 14.434 1.474 5.413 1.00 61.33 H new ATOM 603 N MET A 41 9.623 -6.308 2.912 1.00 43.22 N ATOM 604 CA MET A 41 9.838 -7.684 2.478 1.00 44.01 C ATOM 605 C MET A 41 9.340 -7.886 1.050 1.00 74.34 C ATOM 606 O MET A 41 9.847 -8.740 0.324 1.00 34.41 O ATOM 607 CB MET A 41 9.127 -8.656 3.422 1.00 4.24 C ATOM 608 CG MET A 41 9.991 -9.830 3.849 1.00 1.11 C ATOM 609 SD MET A 41 9.023 -11.208 4.494 1.00 44.42 S ATOM 610 CE MET A 41 8.772 -12.171 3.006 1.00 74.02 C ATOM 0 H MET A 41 8.883 -6.195 3.605 1.00 43.22 H new ATOM 0 HA MET A 41 10.909 -7.884 2.503 1.00 44.01 H new ATOM 0 HB2 MET A 41 8.800 -8.114 4.310 1.00 4.24 H new ATOM 0 HB3 MET A 41 8.230 -9.035 2.932 1.00 4.24 H new ATOM 0 HG2 MET A 41 10.579 -10.172 2.997 1.00 1.11 H new ATOM 0 HG3 MET A 41 10.696 -9.499 4.611 1.00 1.11 H new ATOM 0 HE1 MET A 41 8.187 -13.060 3.242 1.00 74.02 H new ATOM 0 HE2 MET A 41 8.238 -11.570 2.270 1.00 74.02 H new ATOM 0 HE3 MET A 41 9.738 -12.470 2.599 1.00 74.02 H new ATOM 620 N ALA A 42 8.347 -7.097 0.656 1.00 63.31 N ATOM 621 CA ALA A 42 7.783 -7.190 -0.684 1.00 10.31 C ATOM 622 C ALA A 42 8.747 -6.629 -1.725 1.00 23.51 C ATOM 623 O ALA A 42 9.030 -7.274 -2.733 1.00 13.22 O ATOM 624 CB ALA A 42 6.450 -6.459 -0.749 1.00 50.10 C ATOM 0 H ALA A 42 7.916 -6.386 1.246 1.00 63.31 H new ATOM 0 HA ALA A 42 7.618 -8.244 -0.909 1.00 10.31 H new ATOM 0 HB1 ALA A 42 6.041 -6.537 -1.756 1.00 50.10 H new ATOM 0 HB2 ALA A 42 5.755 -6.907 -0.039 1.00 50.10 H new ATOM 0 HB3 ALA A 42 6.598 -5.409 -0.498 1.00 50.10 H new ATOM 630 N ASN A 43 9.247 -5.423 -1.473 1.00 61.52 N ATOM 631 CA ASN A 43 10.178 -4.775 -2.389 1.00 70.52 C ATOM 632 C ASN A 43 11.457 -5.595 -2.535 1.00 44.25 C ATOM 633 O ASN A 43 11.866 -5.933 -3.645 1.00 14.23 O ATOM 634 CB ASN A 43 10.514 -3.367 -1.895 1.00 1.33 C ATOM 635 CG ASN A 43 9.503 -2.335 -2.358 1.00 43.11 C ATOM 636 OD1 ASN A 43 8.413 -2.679 -2.813 1.00 22.23 O ATOM 637 ND2 ASN A 43 9.863 -1.062 -2.243 1.00 23.32 N ATOM 0 H ASN A 43 9.023 -4.875 -0.642 1.00 61.52 H new ATOM 0 HA ASN A 43 9.699 -4.705 -3.366 1.00 70.52 H new ATOM 0 HB2 ASN A 43 10.556 -3.367 -0.806 1.00 1.33 H new ATOM 0 HB3 ASN A 43 11.505 -3.086 -2.252 1.00 1.33 H new ATOM 0 HD21 ASN A 43 9.225 -0.323 -2.538 1.00 23.32 H new ATOM 0 HD22 ASN A 43 10.778 -0.823 -1.860 1.00 23.32 H new ATOM 644 N VAL A 44 12.083 -5.910 -1.405 1.00 0.03 N ATOM 645 CA VAL A 44 13.314 -6.690 -1.406 1.00 13.41 C ATOM 646 C VAL A 44 13.122 -8.018 -2.130 1.00 54.25 C ATOM 647 O VAL A 44 13.964 -8.428 -2.930 1.00 62.52 O ATOM 648 CB VAL A 44 13.805 -6.966 0.028 1.00 14.45 C ATOM 649 CG1 VAL A 44 15.077 -7.799 0.006 1.00 73.11 C ATOM 650 CG2 VAL A 44 14.027 -5.659 0.775 1.00 10.12 C ATOM 0 H VAL A 44 11.757 -5.637 -0.478 1.00 0.03 H new ATOM 0 HA VAL A 44 14.064 -6.098 -1.931 1.00 13.41 H new ATOM 0 HB VAL A 44 13.037 -7.533 0.554 1.00 14.45 H new ATOM 0 HG11 VAL A 44 15.409 -7.984 1.028 1.00 73.11 H new ATOM 0 HG12 VAL A 44 14.881 -8.750 -0.489 1.00 73.11 H new ATOM 0 HG13 VAL A 44 15.855 -7.261 -0.536 1.00 73.11 H new ATOM 0 HG21 VAL A 44 14.374 -5.872 1.786 1.00 10.12 H new ATOM 0 HG22 VAL A 44 14.776 -5.064 0.253 1.00 10.12 H new ATOM 0 HG23 VAL A 44 13.091 -5.103 0.822 1.00 10.12 H new ATOM 660 N SER A 45 12.010 -8.687 -1.843 1.00 3.04 N ATOM 661 CA SER A 45 11.708 -9.971 -2.465 1.00 53.01 C ATOM 662 C SER A 45 11.447 -9.804 -3.959 1.00 65.02 C ATOM 663 O SER A 45 11.632 -10.736 -4.742 1.00 21.33 O ATOM 664 CB SER A 45 10.494 -10.615 -1.791 1.00 13.33 C ATOM 665 OG SER A 45 10.814 -11.069 -0.489 1.00 54.14 O ATOM 0 H SER A 45 11.303 -8.361 -1.184 1.00 3.04 H new ATOM 0 HA SER A 45 12.573 -10.621 -2.337 1.00 53.01 H new ATOM 0 HB2 SER A 45 9.679 -9.893 -1.738 1.00 13.33 H new ATOM 0 HB3 SER A 45 10.141 -11.451 -2.394 1.00 13.33 H new ATOM 0 HG SER A 45 10.568 -10.383 0.166 1.00 54.14 H new ATOM 671 N THR A 46 11.014 -8.608 -4.347 1.00 72.32 N ATOM 672 CA THR A 46 10.726 -8.317 -5.746 1.00 64.51 C ATOM 673 C THR A 46 11.921 -7.663 -6.430 1.00 71.45 C ATOM 674 O THR A 46 11.787 -7.061 -7.493 1.00 2.04 O ATOM 675 CB THR A 46 9.501 -7.394 -5.886 1.00 34.41 C ATOM 676 OG1 THR A 46 9.678 -6.219 -5.087 1.00 73.40 O ATOM 677 CG2 THR A 46 8.229 -8.114 -5.463 1.00 53.21 C ATOM 0 H THR A 46 10.855 -7.826 -3.712 1.00 72.32 H new ATOM 0 HA THR A 46 10.512 -9.270 -6.229 1.00 64.51 H new ATOM 0 HB THR A 46 9.407 -7.109 -6.934 1.00 34.41 H new ATOM 0 HG1 THR A 46 10.622 -6.133 -4.837 1.00 73.40 H new ATOM 0 HG21 THR A 46 7.378 -7.442 -5.571 1.00 53.21 H new ATOM 0 HG22 THR A 46 8.081 -8.991 -6.093 1.00 53.21 H new ATOM 0 HG23 THR A 46 8.316 -8.425 -4.422 1.00 53.21 H new ATOM 685 N GLY A 47 13.092 -7.789 -5.811 1.00 4.34 N ATOM 686 CA GLY A 47 14.295 -7.204 -6.377 1.00 63.54 C ATOM 687 C GLY A 47 14.122 -5.738 -6.716 1.00 11.30 C ATOM 688 O GLY A 47 14.778 -5.222 -7.623 1.00 72.52 O ATOM 0 H GLY A 47 13.229 -8.284 -4.930 1.00 4.34 H new ATOM 0 HA2 GLY A 47 15.117 -7.316 -5.670 1.00 63.54 H new ATOM 0 HA3 GLY A 47 14.573 -7.752 -7.278 1.00 63.54 H new ATOM 692 N ARG A 48 13.238 -5.063 -5.989 1.00 22.40 N ATOM 693 CA ARG A 48 12.980 -3.647 -6.221 1.00 73.20 C ATOM 694 C ARG A 48 13.740 -2.784 -5.218 1.00 75.53 C ATOM 695 O ARG A 48 13.751 -3.072 -4.022 1.00 45.14 O ATOM 696 CB ARG A 48 11.481 -3.358 -6.125 1.00 22.44 C ATOM 697 CG ARG A 48 10.742 -3.527 -7.443 1.00 62.44 C ATOM 698 CD ARG A 48 9.244 -3.328 -7.272 1.00 54.14 C ATOM 699 NE ARG A 48 8.609 -2.868 -8.503 1.00 22.25 N ATOM 700 CZ ARG A 48 7.320 -2.561 -8.595 1.00 3.02 C ATOM 701 NH1 ARG A 48 6.533 -2.664 -7.534 1.00 71.04 N ATOM 702 NH2 ARG A 48 6.816 -2.150 -9.752 1.00 45.15 N ATOM 0 H ARG A 48 12.688 -5.474 -5.234 1.00 22.40 H new ATOM 0 HA ARG A 48 13.328 -3.400 -7.224 1.00 73.20 H new ATOM 0 HB2 ARG A 48 11.038 -4.022 -5.382 1.00 22.44 H new ATOM 0 HB3 ARG A 48 11.338 -2.339 -5.766 1.00 22.44 H new ATOM 0 HG2 ARG A 48 11.124 -2.811 -8.170 1.00 62.44 H new ATOM 0 HG3 ARG A 48 10.934 -4.522 -7.844 1.00 62.44 H new ATOM 0 HD2 ARG A 48 8.787 -4.266 -6.957 1.00 54.14 H new ATOM 0 HD3 ARG A 48 9.063 -2.603 -6.478 1.00 54.14 H new ATOM 0 HE ARG A 48 9.187 -2.777 -9.339 1.00 22.25 H new ATOM 0 HH11 ARG A 48 6.917 -2.980 -6.643 1.00 71.04 H new ATOM 0 HH12 ARG A 48 5.544 -2.427 -7.608 1.00 71.04 H new ATOM 0 HH21 ARG A 48 7.419 -2.070 -10.571 1.00 45.15 H new ATOM 0 HH22 ARG A 48 5.826 -1.914 -9.822 1.00 45.15 H new ATOM 716 N GLU A 49 14.375 -1.727 -5.715 1.00 34.42 N ATOM 717 CA GLU A 49 15.139 -0.825 -4.863 1.00 44.41 C ATOM 718 C GLU A 49 14.284 -0.316 -3.705 1.00 2.44 C ATOM 719 O GLU A 49 13.054 -0.359 -3.743 1.00 35.44 O ATOM 720 CB GLU A 49 15.669 0.356 -5.678 1.00 51.24 C ATOM 721 CG GLU A 49 17.030 0.102 -6.304 1.00 61.21 C ATOM 722 CD GLU A 49 17.873 1.359 -6.398 1.00 53.13 C ATOM 723 OE1 GLU A 49 17.941 2.103 -5.398 1.00 4.42 O ATOM 724 OE2 GLU A 49 18.464 1.598 -7.471 1.00 54.52 O ATOM 0 H GLU A 49 14.375 -1.475 -6.703 1.00 34.42 H new ATOM 0 HA GLU A 49 15.982 -1.381 -4.453 1.00 44.41 H new ATOM 0 HB2 GLU A 49 14.954 0.592 -6.466 1.00 51.24 H new ATOM 0 HB3 GLU A 49 15.733 1.232 -5.033 1.00 51.24 H new ATOM 0 HG2 GLU A 49 17.563 -0.645 -5.715 1.00 61.21 H new ATOM 0 HG3 GLU A 49 16.895 -0.316 -7.302 1.00 61.21 H new ATOM 731 N PRO A 50 14.949 0.180 -2.652 1.00 51.11 N ATOM 732 CA PRO A 50 14.271 0.707 -1.464 1.00 44.23 C ATOM 733 C PRO A 50 13.544 2.018 -1.745 1.00 15.54 C ATOM 734 O PRO A 50 12.715 2.462 -0.952 1.00 71.35 O ATOM 735 CB PRO A 50 15.416 0.932 -0.472 1.00 35.43 C ATOM 736 CG PRO A 50 16.622 1.127 -1.325 1.00 73.52 C ATOM 737 CD PRO A 50 16.415 0.264 -2.538 1.00 35.31 C ATOM 0 HA PRO A 50 13.501 0.027 -1.100 1.00 44.23 H new ATOM 0 HB2 PRO A 50 15.230 1.803 0.156 1.00 35.43 H new ATOM 0 HB3 PRO A 50 15.536 0.078 0.195 1.00 35.43 H new ATOM 0 HG2 PRO A 50 16.736 2.174 -1.606 1.00 73.52 H new ATOM 0 HG3 PRO A 50 17.528 0.839 -0.791 1.00 73.52 H new ATOM 0 HD2 PRO A 50 16.862 0.708 -3.428 1.00 35.31 H new ATOM 0 HD3 PRO A 50 16.865 -0.721 -2.412 1.00 35.31 H new ATOM 745 N GLY A 51 13.861 2.633 -2.880 1.00 14.23 N ATOM 746 CA GLY A 51 13.229 3.887 -3.246 1.00 1.15 C ATOM 747 C GLY A 51 11.933 3.684 -4.004 1.00 21.54 C ATOM 748 O GLY A 51 11.721 4.285 -5.058 1.00 55.03 O ATOM 0 H GLY A 51 14.544 2.285 -3.553 1.00 14.23 H new ATOM 0 HA2 GLY A 51 13.032 4.467 -2.345 1.00 1.15 H new ATOM 0 HA3 GLY A 51 13.916 4.472 -3.858 1.00 1.15 H new ATOM 752 N ASP A 52 11.064 2.833 -3.470 1.00 43.02 N ATOM 753 CA ASP A 52 9.781 2.550 -4.103 1.00 1.31 C ATOM 754 C ASP A 52 8.647 2.612 -3.085 1.00 4.31 C ATOM 755 O ASP A 52 8.426 1.665 -2.330 1.00 61.41 O ATOM 756 CB ASP A 52 9.809 1.174 -4.771 1.00 13.40 C ATOM 757 CG ASP A 52 9.918 1.266 -6.280 1.00 53.22 C ATOM 758 OD1 ASP A 52 8.939 1.704 -6.921 1.00 55.43 O ATOM 759 OD2 ASP A 52 10.983 0.899 -6.822 1.00 70.44 O ATOM 0 H ASP A 52 11.225 2.327 -2.599 1.00 43.02 H new ATOM 0 HA ASP A 52 9.604 3.310 -4.864 1.00 1.31 H new ATOM 0 HB2 ASP A 52 10.652 0.602 -4.383 1.00 13.40 H new ATOM 0 HB3 ASP A 52 8.904 0.627 -4.508 1.00 13.40 H new ATOM 764 N ILE A 53 7.932 3.732 -3.071 1.00 33.21 N ATOM 765 CA ILE A 53 6.821 3.916 -2.146 1.00 44.44 C ATOM 766 C ILE A 53 5.589 4.453 -2.867 1.00 43.41 C ATOM 767 O ILE A 53 5.226 5.623 -2.742 1.00 53.34 O ATOM 768 CB ILE A 53 7.193 4.880 -1.003 1.00 32.31 C ATOM 769 CG1 ILE A 53 8.539 4.483 -0.391 1.00 11.32 C ATOM 770 CG2 ILE A 53 6.104 4.888 0.059 1.00 12.22 C ATOM 771 CD1 ILE A 53 9.009 5.425 0.695 1.00 62.04 C ATOM 0 H ILE A 53 8.102 4.525 -3.689 1.00 33.21 H new ATOM 0 HA ILE A 53 6.595 2.936 -1.725 1.00 44.44 H new ATOM 0 HB ILE A 53 7.282 5.887 -1.411 1.00 32.31 H new ATOM 0 HG12 ILE A 53 8.459 3.477 0.021 1.00 11.32 H new ATOM 0 HG13 ILE A 53 9.291 4.446 -1.179 1.00 11.32 H new ATOM 0 HG21 ILE A 53 6.382 5.574 0.860 1.00 12.22 H new ATOM 0 HG22 ILE A 53 5.164 5.212 -0.387 1.00 12.22 H new ATOM 0 HG23 ILE A 53 5.985 3.884 0.466 1.00 12.22 H new ATOM 0 HD11 ILE A 53 9.968 5.083 1.083 1.00 62.04 H new ATOM 0 HD12 ILE A 53 9.121 6.428 0.283 1.00 62.04 H new ATOM 0 HD13 ILE A 53 8.277 5.444 1.502 1.00 62.04 H new ATOM 783 N PRO A 54 4.926 3.578 -3.638 1.00 53.03 N ATOM 784 CA PRO A 54 3.724 3.941 -4.392 1.00 23.42 C ATOM 785 C PRO A 54 2.525 4.196 -3.485 1.00 42.02 C ATOM 786 O PRO A 54 2.663 4.255 -2.263 1.00 24.02 O ATOM 787 CB PRO A 54 3.474 2.714 -5.274 1.00 61.24 C ATOM 788 CG PRO A 54 4.109 1.585 -4.539 1.00 75.31 C ATOM 789 CD PRO A 54 5.302 2.168 -3.833 1.00 53.11 C ATOM 0 HA PRO A 54 3.859 4.866 -4.952 1.00 23.42 H new ATOM 0 HB2 PRO A 54 2.408 2.542 -5.420 1.00 61.24 H new ATOM 0 HB3 PRO A 54 3.915 2.841 -6.263 1.00 61.24 H new ATOM 0 HG2 PRO A 54 3.412 1.142 -3.827 1.00 75.31 H new ATOM 0 HG3 PRO A 54 4.410 0.793 -5.225 1.00 75.31 H new ATOM 0 HD2 PRO A 54 5.491 1.667 -2.883 1.00 53.11 H new ATOM 0 HD3 PRO A 54 6.209 2.073 -4.430 1.00 53.11 H new ATOM 797 N GLU A 55 1.351 4.346 -4.089 1.00 34.25 N ATOM 798 CA GLU A 55 0.129 4.595 -3.334 1.00 70.24 C ATOM 799 C GLU A 55 -1.084 4.640 -4.260 1.00 44.24 C ATOM 800 O GLU A 55 -1.817 5.628 -4.294 1.00 42.02 O ATOM 801 CB GLU A 55 0.242 5.909 -2.559 1.00 24.33 C ATOM 802 CG GLU A 55 -0.541 5.916 -1.257 1.00 45.40 C ATOM 803 CD GLU A 55 -2.041 5.951 -1.478 1.00 62.51 C ATOM 804 OE1 GLU A 55 -2.649 4.864 -1.584 1.00 41.33 O ATOM 805 OE2 GLU A 55 -2.607 7.062 -1.544 1.00 33.23 O ATOM 0 H GLU A 55 1.220 4.299 -5.099 1.00 34.25 H new ATOM 0 HA GLU A 55 -0.005 3.775 -2.628 1.00 70.24 H new ATOM 0 HB2 GLU A 55 1.292 6.105 -2.343 1.00 24.33 H new ATOM 0 HB3 GLU A 55 -0.111 6.725 -3.190 1.00 24.33 H new ATOM 0 HG2 GLU A 55 -0.284 5.029 -0.678 1.00 45.40 H new ATOM 0 HG3 GLU A 55 -0.245 6.781 -0.664 1.00 45.40 H new ATOM 812 N THR A 56 -1.288 3.562 -5.010 1.00 31.32 N ATOM 813 CA THR A 56 -2.409 3.478 -5.937 1.00 21.44 C ATOM 814 C THR A 56 -2.949 2.054 -6.021 1.00 53.34 C ATOM 815 O THR A 56 -2.186 1.088 -5.977 1.00 51.22 O ATOM 816 CB THR A 56 -2.007 3.946 -7.349 1.00 50.21 C ATOM 817 OG1 THR A 56 -1.183 2.958 -7.977 1.00 73.35 O ATOM 818 CG2 THR A 56 -1.262 5.271 -7.288 1.00 53.02 C ATOM 0 H THR A 56 -0.691 2.735 -4.993 1.00 31.32 H new ATOM 0 HA THR A 56 -3.187 4.137 -5.551 1.00 21.44 H new ATOM 0 HB THR A 56 -2.916 4.085 -7.934 1.00 50.21 H new ATOM 0 HG1 THR A 56 -1.194 3.092 -8.948 1.00 73.35 H new ATOM 0 HG21 THR A 56 -0.988 5.581 -8.296 1.00 53.02 H new ATOM 0 HG22 THR A 56 -1.903 6.028 -6.837 1.00 53.02 H new ATOM 0 HG23 THR A 56 -0.360 5.154 -6.687 1.00 53.02 H new ATOM 826 N LEU A 57 -4.265 1.932 -6.143 1.00 73.14 N ATOM 827 CA LEU A 57 -4.907 0.624 -6.234 1.00 10.21 C ATOM 828 C LEU A 57 -4.259 -0.225 -7.322 1.00 34.35 C ATOM 829 O LEU A 57 -4.147 -1.444 -7.188 1.00 14.11 O ATOM 830 CB LEU A 57 -6.401 0.786 -6.518 1.00 1.25 C ATOM 831 CG LEU A 57 -7.311 -0.316 -5.977 1.00 42.22 C ATOM 832 CD1 LEU A 57 -6.982 -1.649 -6.632 1.00 64.41 C ATOM 833 CD2 LEU A 57 -7.183 -0.417 -4.464 1.00 64.14 C ATOM 0 H LEU A 57 -4.909 2.722 -6.181 1.00 73.14 H new ATOM 0 HA LEU A 57 -4.779 0.116 -5.278 1.00 10.21 H new ATOM 0 HB2 LEU A 57 -6.729 1.738 -6.100 1.00 1.25 H new ATOM 0 HB3 LEU A 57 -6.541 0.847 -7.597 1.00 1.25 H new ATOM 0 HG LEU A 57 -8.343 -0.061 -6.218 1.00 42.22 H new ATOM 0 HD11 LEU A 57 -7.640 -2.422 -6.235 1.00 64.41 H new ATOM 0 HD12 LEU A 57 -7.125 -1.570 -7.710 1.00 64.41 H new ATOM 0 HD13 LEU A 57 -5.945 -1.912 -6.422 1.00 64.41 H new ATOM 0 HD21 LEU A 57 -7.838 -1.207 -4.095 1.00 64.14 H new ATOM 0 HD22 LEU A 57 -6.151 -0.649 -4.201 1.00 64.14 H new ATOM 0 HD23 LEU A 57 -7.468 0.532 -4.011 1.00 64.14 H new ATOM 845 N ASP A 58 -3.833 0.426 -8.398 1.00 33.14 N ATOM 846 CA ASP A 58 -3.192 -0.269 -9.510 1.00 63.42 C ATOM 847 C ASP A 58 -1.837 -0.829 -9.092 1.00 12.11 C ATOM 848 O ASP A 58 -1.489 -1.959 -9.433 1.00 24.33 O ATOM 849 CB ASP A 58 -3.024 0.675 -10.701 1.00 33.23 C ATOM 850 CG ASP A 58 -3.932 0.313 -11.859 1.00 32.23 C ATOM 851 OD1 ASP A 58 -3.624 -0.666 -12.573 1.00 45.21 O ATOM 852 OD2 ASP A 58 -4.952 1.007 -12.053 1.00 2.30 O ATOM 0 H ASP A 58 -3.919 1.434 -8.525 1.00 33.14 H new ATOM 0 HA ASP A 58 -3.833 -1.100 -9.804 1.00 63.42 H new ATOM 0 HB2 ASP A 58 -3.234 1.696 -10.384 1.00 33.23 H new ATOM 0 HB3 ASP A 58 -1.987 0.652 -11.035 1.00 33.23 H new ATOM 857 N GLN A 59 -1.075 -0.029 -8.353 1.00 44.44 N ATOM 858 CA GLN A 59 0.244 -0.444 -7.890 1.00 60.22 C ATOM 859 C GLN A 59 0.136 -1.613 -6.915 1.00 10.24 C ATOM 860 O GLN A 59 0.872 -2.594 -7.023 1.00 34.43 O ATOM 861 CB GLN A 59 0.966 0.727 -7.221 1.00 1.43 C ATOM 862 CG GLN A 59 1.999 1.394 -8.115 1.00 42.05 C ATOM 863 CD GLN A 59 1.516 2.714 -8.681 1.00 4.34 C ATOM 864 OE1 GLN A 59 1.205 2.818 -9.868 1.00 32.31 O ATOM 865 NE2 GLN A 59 1.450 3.734 -7.834 1.00 3.50 N ATOM 0 H GLN A 59 -1.348 0.910 -8.062 1.00 44.44 H new ATOM 0 HA GLN A 59 0.819 -0.769 -8.757 1.00 60.22 H new ATOM 0 HB2 GLN A 59 0.230 1.470 -6.914 1.00 1.43 H new ATOM 0 HB3 GLN A 59 1.457 0.371 -6.315 1.00 1.43 H new ATOM 0 HG2 GLN A 59 2.913 1.560 -7.546 1.00 42.05 H new ATOM 0 HG3 GLN A 59 2.252 0.722 -8.935 1.00 42.05 H new ATOM 0 HE21 GLN A 59 1.717 3.605 -6.858 1.00 3.50 H new ATOM 0 HE22 GLN A 59 1.132 4.647 -8.159 1.00 3.50 H new ATOM 874 N LEU A 60 -0.783 -1.500 -5.963 1.00 30.03 N ATOM 875 CA LEU A 60 -0.988 -2.548 -4.969 1.00 41.31 C ATOM 876 C LEU A 60 -1.321 -3.877 -5.638 1.00 31.12 C ATOM 877 O LEU A 60 -0.796 -4.923 -5.259 1.00 15.23 O ATOM 878 CB LEU A 60 -2.109 -2.153 -4.007 1.00 50.45 C ATOM 879 CG LEU A 60 -1.692 -1.317 -2.796 1.00 74.15 C ATOM 880 CD1 LEU A 60 -0.887 -2.159 -1.818 1.00 65.42 C ATOM 881 CD2 LEU A 60 -0.892 -0.101 -3.237 1.00 12.55 C ATOM 0 H LEU A 60 -1.398 -0.693 -5.858 1.00 30.03 H new ATOM 0 HA LEU A 60 -0.061 -2.668 -4.408 1.00 41.31 H new ATOM 0 HB2 LEU A 60 -2.861 -1.596 -4.566 1.00 50.45 H new ATOM 0 HB3 LEU A 60 -2.589 -3.063 -3.647 1.00 50.45 H new ATOM 0 HG LEU A 60 -2.594 -0.971 -2.291 1.00 74.15 H new ATOM 0 HD11 LEU A 60 -0.599 -1.548 -0.963 1.00 65.42 H new ATOM 0 HD12 LEU A 60 -1.493 -2.998 -1.476 1.00 65.42 H new ATOM 0 HD13 LEU A 60 0.008 -2.535 -2.313 1.00 65.42 H new ATOM 0 HD21 LEU A 60 -0.604 0.482 -2.362 1.00 12.55 H new ATOM 0 HD22 LEU A 60 0.003 -0.427 -3.767 1.00 12.55 H new ATOM 0 HD23 LEU A 60 -1.501 0.515 -3.899 1.00 12.55 H new ATOM 893 N ARG A 61 -2.196 -3.826 -6.638 1.00 74.44 N ATOM 894 CA ARG A 61 -2.599 -5.027 -7.361 1.00 14.10 C ATOM 895 C ARG A 61 -1.403 -5.667 -8.059 1.00 32.34 C ATOM 896 O ARG A 61 -1.245 -6.889 -8.049 1.00 73.52 O ATOM 897 CB ARG A 61 -3.682 -4.690 -8.387 1.00 30.32 C ATOM 898 CG ARG A 61 -4.100 -5.875 -9.243 1.00 43.32 C ATOM 899 CD ARG A 61 -3.683 -5.689 -10.693 1.00 74.31 C ATOM 900 NE ARG A 61 -4.457 -4.643 -11.356 1.00 4.42 N ATOM 901 CZ ARG A 61 -4.572 -4.537 -12.675 1.00 52.34 C ATOM 902 NH1 ARG A 61 -3.966 -5.410 -13.468 1.00 71.31 N ATOM 903 NH2 ARG A 61 -5.294 -3.557 -13.203 1.00 75.11 N ATOM 0 H ARG A 61 -2.639 -2.967 -6.965 1.00 74.44 H new ATOM 0 HA ARG A 61 -3.001 -5.739 -6.640 1.00 14.10 H new ATOM 0 HB2 ARG A 61 -4.557 -4.303 -7.865 1.00 30.32 H new ATOM 0 HB3 ARG A 61 -3.320 -3.893 -9.037 1.00 30.32 H new ATOM 0 HG2 ARG A 61 -3.651 -6.787 -8.848 1.00 43.32 H new ATOM 0 HG3 ARG A 61 -5.181 -6.002 -9.188 1.00 43.32 H new ATOM 0 HD2 ARG A 61 -2.623 -5.438 -10.736 1.00 74.31 H new ATOM 0 HD3 ARG A 61 -3.810 -6.629 -11.230 1.00 74.31 H new ATOM 0 HE ARG A 61 -4.936 -3.956 -10.774 1.00 4.42 H new ATOM 0 HH11 ARG A 61 -3.410 -6.165 -13.065 1.00 71.31 H new ATOM 0 HH12 ARG A 61 -4.056 -5.327 -14.481 1.00 71.31 H new ATOM 0 HH21 ARG A 61 -5.762 -2.884 -12.596 1.00 75.11 H new ATOM 0 HH22 ARG A 61 -5.381 -3.477 -14.216 1.00 75.11 H new ATOM 917 N LEU A 62 -0.564 -4.836 -8.667 1.00 41.10 N ATOM 918 CA LEU A 62 0.617 -5.320 -9.372 1.00 73.44 C ATOM 919 C LEU A 62 1.625 -5.922 -8.396 1.00 23.32 C ATOM 920 O LEU A 62 2.155 -7.009 -8.626 1.00 30.33 O ATOM 921 CB LEU A 62 1.269 -4.182 -10.158 1.00 2.34 C ATOM 922 CG LEU A 62 0.601 -3.813 -11.484 1.00 72.34 C ATOM 923 CD1 LEU A 62 1.202 -2.535 -12.047 1.00 14.23 C ATOM 924 CD2 LEU A 62 0.736 -4.954 -12.483 1.00 23.01 C ATOM 0 H LEU A 62 -0.680 -3.823 -8.686 1.00 41.10 H new ATOM 0 HA LEU A 62 0.301 -6.098 -10.067 1.00 73.44 H new ATOM 0 HB2 LEU A 62 1.289 -3.295 -9.525 1.00 2.34 H new ATOM 0 HB3 LEU A 62 2.305 -4.453 -10.359 1.00 2.34 H new ATOM 0 HG LEU A 62 -0.459 -3.640 -11.300 1.00 72.34 H new ATOM 0 HD11 LEU A 62 0.714 -2.288 -12.990 1.00 14.23 H new ATOM 0 HD12 LEU A 62 1.054 -1.720 -11.338 1.00 14.23 H new ATOM 0 HD13 LEU A 62 2.269 -2.679 -12.217 1.00 14.23 H new ATOM 0 HD21 LEU A 62 0.256 -4.675 -13.421 1.00 23.01 H new ATOM 0 HD22 LEU A 62 1.792 -5.157 -12.663 1.00 23.01 H new ATOM 0 HD23 LEU A 62 0.258 -5.847 -12.082 1.00 23.01 H new ATOM 936 N VAL A 63 1.883 -5.207 -7.306 1.00 53.33 N ATOM 937 CA VAL A 63 2.824 -5.671 -6.293 1.00 61.11 C ATOM 938 C VAL A 63 2.468 -7.074 -5.813 1.00 24.34 C ATOM 939 O VAL A 63 3.343 -7.917 -5.622 1.00 51.43 O ATOM 940 CB VAL A 63 2.861 -4.720 -5.083 1.00 61.42 C ATOM 941 CG1 VAL A 63 3.822 -5.239 -4.024 1.00 41.52 C ATOM 942 CG2 VAL A 63 3.245 -3.315 -5.521 1.00 21.44 C ATOM 0 H VAL A 63 1.454 -4.305 -7.102 1.00 53.33 H new ATOM 0 HA VAL A 63 3.808 -5.689 -6.761 1.00 61.11 H new ATOM 0 HB VAL A 63 1.864 -4.679 -4.645 1.00 61.42 H new ATOM 0 HG11 VAL A 63 3.834 -4.553 -3.177 1.00 41.52 H new ATOM 0 HG12 VAL A 63 3.497 -6.224 -3.689 1.00 41.52 H new ATOM 0 HG13 VAL A 63 4.824 -5.312 -4.446 1.00 41.52 H new ATOM 0 HG21 VAL A 63 3.266 -2.656 -4.653 1.00 21.44 H new ATOM 0 HG22 VAL A 63 4.231 -3.335 -5.985 1.00 21.44 H new ATOM 0 HG23 VAL A 63 2.513 -2.945 -6.239 1.00 21.44 H new ATOM 952 N ILE A 64 1.176 -7.316 -5.620 1.00 25.43 N ATOM 953 CA ILE A 64 0.702 -8.617 -5.163 1.00 32.15 C ATOM 954 C ILE A 64 1.016 -9.705 -6.185 1.00 30.00 C ATOM 955 O ILE A 64 1.653 -10.709 -5.862 1.00 23.33 O ATOM 956 CB ILE A 64 -0.814 -8.602 -4.895 1.00 71.53 C ATOM 957 CG1 ILE A 64 -1.154 -7.562 -3.824 1.00 34.51 C ATOM 958 CG2 ILE A 64 -1.290 -9.983 -4.470 1.00 60.05 C ATOM 959 CD1 ILE A 64 -2.551 -6.996 -3.955 1.00 53.31 C ATOM 0 H ILE A 64 0.438 -6.628 -5.773 1.00 25.43 H new ATOM 0 HA ILE A 64 1.224 -8.834 -4.231 1.00 32.15 H new ATOM 0 HB ILE A 64 -1.329 -8.329 -5.816 1.00 71.53 H new ATOM 0 HG12 ILE A 64 -1.046 -8.017 -2.839 1.00 34.51 H new ATOM 0 HG13 ILE A 64 -0.433 -6.746 -3.879 1.00 34.51 H new ATOM 0 HG21 ILE A 64 -2.364 -9.957 -4.284 1.00 60.05 H new ATOM 0 HG22 ILE A 64 -1.076 -10.701 -5.262 1.00 60.05 H new ATOM 0 HG23 ILE A 64 -0.771 -10.282 -3.559 1.00 60.05 H new ATOM 0 HD11 ILE A 64 -2.723 -6.266 -3.164 1.00 53.31 H new ATOM 0 HD12 ILE A 64 -2.658 -6.512 -4.926 1.00 53.31 H new ATOM 0 HD13 ILE A 64 -3.280 -7.802 -3.870 1.00 53.31 H new ATOM 971 N CYS A 65 0.566 -9.499 -7.417 1.00 21.00 N ATOM 972 CA CYS A 65 0.799 -10.463 -8.487 1.00 2.35 C ATOM 973 C CYS A 65 2.280 -10.817 -8.587 1.00 24.43 C ATOM 974 O CYS A 65 2.636 -11.929 -8.975 1.00 35.24 O ATOM 975 CB CYS A 65 0.305 -9.902 -9.822 1.00 12.32 C ATOM 976 SG CYS A 65 -1.494 -9.884 -9.996 1.00 1.21 S ATOM 0 H CYS A 65 0.038 -8.674 -7.700 1.00 21.00 H new ATOM 0 HA CYS A 65 0.242 -11.371 -8.254 1.00 2.35 H new ATOM 0 HB2 CYS A 65 0.680 -8.885 -9.938 1.00 12.32 H new ATOM 0 HB3 CYS A 65 0.732 -10.493 -10.632 1.00 12.32 H new ATOM 0 HG CYS A 65 -1.813 -9.391 -11.156 1.00 1.21 H new ATOM 982 N ASP A 66 3.134 -9.864 -8.235 1.00 53.45 N ATOM 983 CA ASP A 66 4.577 -10.076 -8.284 1.00 61.43 C ATOM 984 C ASP A 66 5.022 -11.049 -7.196 1.00 0.25 C ATOM 985 O ASP A 66 5.561 -12.118 -7.487 1.00 4.35 O ATOM 986 CB ASP A 66 5.315 -8.745 -8.128 1.00 62.15 C ATOM 987 CG ASP A 66 4.841 -7.701 -9.118 1.00 1.54 C ATOM 988 OD1 ASP A 66 5.147 -6.506 -8.915 1.00 65.55 O ATOM 989 OD2 ASP A 66 4.166 -8.076 -10.100 1.00 75.15 O ATOM 0 H ASP A 66 2.854 -8.938 -7.913 1.00 53.45 H new ATOM 0 HA ASP A 66 4.823 -10.508 -9.254 1.00 61.43 H new ATOM 0 HB2 ASP A 66 5.173 -8.371 -7.114 1.00 62.15 H new ATOM 0 HB3 ASP A 66 6.385 -8.908 -8.261 1.00 62.15 H new ATOM 994 N LEU A 67 4.793 -10.672 -5.943 1.00 72.41 N ATOM 995 CA LEU A 67 5.170 -11.512 -4.812 1.00 42.21 C ATOM 996 C LEU A 67 4.495 -12.877 -4.897 1.00 73.14 C ATOM 997 O LEU A 67 5.147 -13.911 -4.749 1.00 34.22 O ATOM 998 CB LEU A 67 4.796 -10.826 -3.496 1.00 41.23 C ATOM 999 CG LEU A 67 5.916 -10.056 -2.797 1.00 14.32 C ATOM 1000 CD1 LEU A 67 5.888 -8.590 -3.200 1.00 63.05 C ATOM 1001 CD2 LEU A 67 5.801 -10.199 -1.287 1.00 34.41 C ATOM 0 H LEU A 67 4.349 -9.791 -5.685 1.00 72.41 H new ATOM 0 HA LEU A 67 6.249 -11.660 -4.845 1.00 42.21 H new ATOM 0 HB2 LEU A 67 3.975 -10.136 -3.690 1.00 41.23 H new ATOM 0 HB3 LEU A 67 4.420 -11.584 -2.809 1.00 41.23 H new ATOM 0 HG LEU A 67 6.871 -10.479 -3.109 1.00 14.32 H new ATOM 0 HD11 LEU A 67 6.692 -8.058 -2.692 1.00 63.05 H new ATOM 0 HD12 LEU A 67 6.022 -8.507 -4.279 1.00 63.05 H new ATOM 0 HD13 LEU A 67 4.930 -8.153 -2.918 1.00 63.05 H new ATOM 0 HD21 LEU A 67 6.607 -9.644 -0.807 1.00 34.41 H new ATOM 0 HD22 LEU A 67 4.841 -9.804 -0.956 1.00 34.41 H new ATOM 0 HD23 LEU A 67 5.873 -11.252 -1.015 1.00 34.41 H new ATOM 1013 N GLN A 68 3.188 -12.872 -5.137 1.00 44.51 N ATOM 1014 CA GLN A 68 2.427 -14.110 -5.244 1.00 72.34 C ATOM 1015 C GLN A 68 3.019 -15.023 -6.313 1.00 71.05 C ATOM 1016 O GLN A 68 3.139 -16.231 -6.112 1.00 72.11 O ATOM 1017 CB GLN A 68 0.963 -13.807 -5.569 1.00 42.05 C ATOM 1018 CG GLN A 68 0.093 -13.617 -4.336 1.00 32.45 C ATOM 1019 CD GLN A 68 -0.447 -14.927 -3.797 1.00 42.45 C ATOM 1020 OE1 GLN A 68 0.159 -15.983 -3.977 1.00 14.51 O ATOM 1021 NE2 GLN A 68 -1.593 -14.864 -3.128 1.00 53.54 N ATOM 0 H GLN A 68 2.634 -12.024 -5.261 1.00 44.51 H new ATOM 0 HA GLN A 68 2.480 -14.623 -4.284 1.00 72.34 H new ATOM 0 HB2 GLN A 68 0.914 -12.906 -6.180 1.00 42.05 H new ATOM 0 HB3 GLN A 68 0.556 -14.621 -6.168 1.00 42.05 H new ATOM 0 HG2 GLN A 68 0.674 -13.120 -3.559 1.00 32.45 H new ATOM 0 HG3 GLN A 68 -0.740 -12.958 -4.581 1.00 32.45 H new ATOM 0 HE21 GLN A 68 -2.062 -13.967 -3.002 1.00 53.54 H new ATOM 0 HE22 GLN A 68 -2.004 -15.713 -2.740 1.00 53.54 H new ATOM 1030 N GLU A 69 3.387 -14.438 -7.447 1.00 5.55 N ATOM 1031 CA GLU A 69 3.964 -15.199 -8.547 1.00 55.11 C ATOM 1032 C GLU A 69 5.221 -15.938 -8.096 1.00 30.31 C ATOM 1033 O GLU A 69 5.378 -17.132 -8.354 1.00 73.21 O ATOM 1034 CB GLU A 69 4.298 -14.273 -9.719 1.00 54.42 C ATOM 1035 CG GLU A 69 3.193 -14.182 -10.758 1.00 71.25 C ATOM 1036 CD GLU A 69 3.155 -15.389 -11.676 1.00 62.41 C ATOM 1037 OE1 GLU A 69 2.129 -16.102 -11.674 1.00 71.33 O ATOM 1038 OE2 GLU A 69 4.149 -15.619 -12.395 1.00 74.45 O ATOM 0 H GLU A 69 3.296 -13.438 -7.628 1.00 5.55 H new ATOM 0 HA GLU A 69 3.227 -15.933 -8.872 1.00 55.11 H new ATOM 0 HB2 GLU A 69 4.506 -13.275 -9.334 1.00 54.42 H new ATOM 0 HB3 GLU A 69 5.210 -14.625 -10.201 1.00 54.42 H new ATOM 0 HG2 GLU A 69 2.232 -14.084 -10.253 1.00 71.25 H new ATOM 0 HG3 GLU A 69 3.334 -13.281 -11.355 1.00 71.25 H new ATOM 1045 N ARG A 70 6.113 -15.220 -7.421 1.00 34.32 N ATOM 1046 CA ARG A 70 7.356 -15.807 -6.935 1.00 0.04 C ATOM 1047 C ARG A 70 7.081 -16.833 -5.840 1.00 45.13 C ATOM 1048 O ARG A 70 7.724 -17.881 -5.780 1.00 1.32 O ATOM 1049 CB ARG A 70 8.287 -14.715 -6.405 1.00 30.02 C ATOM 1050 CG ARG A 70 8.986 -13.926 -7.501 1.00 61.21 C ATOM 1051 CD ARG A 70 10.364 -13.460 -7.059 1.00 72.14 C ATOM 1052 NE ARG A 70 11.318 -14.563 -6.988 1.00 62.15 N ATOM 1053 CZ ARG A 70 12.516 -14.464 -6.423 1.00 53.42 C ATOM 1054 NH1 ARG A 70 12.905 -13.317 -5.882 1.00 34.42 N ATOM 1055 NH2 ARG A 70 13.328 -15.513 -6.397 1.00 33.05 N ATOM 0 H ARG A 70 5.998 -14.231 -7.198 1.00 34.32 H new ATOM 0 HA ARG A 70 7.840 -16.314 -7.770 1.00 0.04 H new ATOM 0 HB2 ARG A 70 7.711 -14.028 -5.785 1.00 30.02 H new ATOM 0 HB3 ARG A 70 9.039 -15.171 -5.761 1.00 30.02 H new ATOM 0 HG2 ARG A 70 9.079 -14.545 -8.394 1.00 61.21 H new ATOM 0 HG3 ARG A 70 8.379 -13.063 -7.773 1.00 61.21 H new ATOM 0 HD2 ARG A 70 10.732 -12.706 -7.755 1.00 72.14 H new ATOM 0 HD3 ARG A 70 10.289 -12.982 -6.082 1.00 72.14 H new ATOM 0 HE ARG A 70 11.050 -15.459 -7.395 1.00 62.15 H new ATOM 0 HH11 ARG A 70 12.284 -12.508 -5.899 1.00 34.42 H new ATOM 0 HH12 ARG A 70 13.826 -13.244 -5.449 1.00 34.42 H new ATOM 0 HH21 ARG A 70 13.033 -16.397 -6.811 1.00 33.05 H new ATOM 0 HH22 ARG A 70 14.248 -15.435 -5.963 1.00 33.05 H new ATOM 1069 N ARG A 71 6.123 -16.522 -4.973 1.00 63.32 N ATOM 1070 CA ARG A 71 5.764 -17.415 -3.878 1.00 64.50 C ATOM 1071 C ARG A 71 5.258 -18.752 -4.410 1.00 73.54 C ATOM 1072 O ARG A 71 5.457 -19.795 -3.786 1.00 1.44 O ATOM 1073 CB ARG A 71 4.696 -16.769 -2.993 1.00 42.20 C ATOM 1074 CG ARG A 71 4.296 -17.622 -1.800 1.00 44.21 C ATOM 1075 CD ARG A 71 2.848 -17.380 -1.403 1.00 23.44 C ATOM 1076 NE ARG A 71 1.923 -17.693 -2.489 1.00 30.24 N ATOM 1077 CZ ARG A 71 1.517 -18.924 -2.778 1.00 61.53 C ATOM 1078 NH1 ARG A 71 1.951 -19.953 -2.063 1.00 60.22 N ATOM 1079 NH2 ARG A 71 0.674 -19.129 -3.782 1.00 43.20 N ATOM 0 H ARG A 71 5.581 -15.658 -5.008 1.00 63.32 H new ATOM 0 HA ARG A 71 6.659 -17.596 -3.282 1.00 64.50 H new ATOM 0 HB2 ARG A 71 5.066 -15.808 -2.634 1.00 42.20 H new ATOM 0 HB3 ARG A 71 3.811 -16.565 -3.596 1.00 42.20 H new ATOM 0 HG2 ARG A 71 4.437 -18.676 -2.041 1.00 44.21 H new ATOM 0 HG3 ARG A 71 4.948 -17.398 -0.956 1.00 44.21 H new ATOM 0 HD2 ARG A 71 2.604 -17.989 -0.532 1.00 23.44 H new ATOM 0 HD3 ARG A 71 2.722 -16.338 -1.109 1.00 23.44 H new ATOM 0 HE ARG A 71 1.569 -16.923 -3.057 1.00 30.24 H new ATOM 0 HH11 ARG A 71 2.598 -19.800 -1.289 1.00 60.22 H new ATOM 0 HH12 ARG A 71 1.638 -20.898 -2.287 1.00 60.22 H new ATOM 0 HH21 ARG A 71 0.336 -18.340 -4.334 1.00 43.20 H new ATOM 0 HH22 ARG A 71 0.364 -20.075 -4.002 1.00 43.20 H new ATOM 1093 N GLU A 72 4.602 -18.714 -5.566 1.00 15.30 N ATOM 1094 CA GLU A 72 4.067 -19.923 -6.181 1.00 51.24 C ATOM 1095 C GLU A 72 5.187 -20.776 -6.770 1.00 52.42 C ATOM 1096 O GLU A 72 5.321 -21.956 -6.447 1.00 63.34 O ATOM 1097 CB GLU A 72 3.059 -19.562 -7.273 1.00 24.41 C ATOM 1098 CG GLU A 72 1.749 -20.325 -7.168 1.00 72.04 C ATOM 1099 CD GLU A 72 1.680 -21.501 -8.123 1.00 13.31 C ATOM 1100 OE1 GLU A 72 2.415 -22.487 -7.904 1.00 41.22 O ATOM 1101 OE2 GLU A 72 0.892 -21.436 -9.089 1.00 15.44 O ATOM 0 H GLU A 72 4.428 -17.859 -6.095 1.00 15.30 H new ATOM 0 HA GLU A 72 3.563 -20.501 -5.407 1.00 51.24 H new ATOM 0 HB2 GLU A 72 2.852 -18.493 -7.226 1.00 24.41 H new ATOM 0 HB3 GLU A 72 3.506 -19.757 -8.248 1.00 24.41 H new ATOM 0 HG2 GLU A 72 1.623 -20.684 -6.146 1.00 72.04 H new ATOM 0 HG3 GLU A 72 0.921 -19.647 -7.372 1.00 72.04 H new ATOM 1108 N LYS A 73 5.992 -20.169 -7.636 1.00 71.51 N ATOM 1109 CA LYS A 73 7.102 -20.871 -8.271 1.00 43.21 C ATOM 1110 C LYS A 73 7.979 -21.556 -7.228 1.00 74.42 C ATOM 1111 O LYS A 73 8.526 -22.632 -7.474 1.00 5.31 O ATOM 1112 CB LYS A 73 7.942 -19.894 -9.097 1.00 33.01 C ATOM 1113 CG LYS A 73 7.657 -19.958 -10.588 1.00 44.32 C ATOM 1114 CD LYS A 73 8.250 -21.208 -11.216 1.00 41.10 C ATOM 1115 CE LYS A 73 7.521 -21.587 -12.497 1.00 43.22 C ATOM 1116 NZ LYS A 73 8.047 -20.844 -13.675 1.00 31.43 N ATOM 0 H LYS A 73 5.897 -19.192 -7.914 1.00 71.51 H new ATOM 0 HA LYS A 73 6.689 -21.634 -8.931 1.00 43.21 H new ATOM 0 HB2 LYS A 73 7.757 -18.880 -8.743 1.00 33.01 H new ATOM 0 HB3 LYS A 73 8.998 -20.103 -8.928 1.00 33.01 H new ATOM 0 HG2 LYS A 73 6.580 -19.942 -10.754 1.00 44.32 H new ATOM 0 HG3 LYS A 73 8.068 -19.074 -11.076 1.00 44.32 H new ATOM 0 HD2 LYS A 73 9.306 -21.043 -11.432 1.00 41.10 H new ATOM 0 HD3 LYS A 73 8.195 -22.034 -10.507 1.00 41.10 H new ATOM 0 HE2 LYS A 73 7.622 -22.659 -12.669 1.00 43.22 H new ATOM 0 HE3 LYS A 73 6.457 -21.381 -12.384 1.00 43.22 H new ATOM 0 HZ1 LYS A 73 7.525 -21.130 -14.528 1.00 31.43 H new ATOM 0 HZ2 LYS A 73 7.928 -19.822 -13.523 1.00 31.43 H new ATOM 0 HZ3 LYS A 73 9.057 -21.060 -13.799 1.00 31.43 H new ATOM 1130 N PHE A 74 8.108 -20.929 -6.064 1.00 23.52 N ATOM 1131 CA PHE A 74 8.918 -21.480 -4.984 1.00 70.01 C ATOM 1132 C PHE A 74 8.091 -22.415 -4.106 1.00 34.02 C ATOM 1133 O PHE A 74 8.626 -23.323 -3.472 1.00 72.25 O ATOM 1134 CB PHE A 74 9.507 -20.352 -4.134 1.00 71.21 C ATOM 1135 CG PHE A 74 10.912 -20.619 -3.675 1.00 33.42 C ATOM 1136 CD1 PHE A 74 11.158 -21.113 -2.404 1.00 45.31 C ATOM 1137 CD2 PHE A 74 11.987 -20.376 -4.515 1.00 72.12 C ATOM 1138 CE1 PHE A 74 12.450 -21.359 -1.978 1.00 11.53 C ATOM 1139 CE2 PHE A 74 13.281 -20.621 -4.095 1.00 35.33 C ATOM 1140 CZ PHE A 74 13.513 -21.112 -2.825 1.00 71.41 C ATOM 0 H PHE A 74 7.662 -20.038 -5.844 1.00 23.52 H new ATOM 0 HA PHE A 74 9.731 -22.053 -5.429 1.00 70.01 H new ATOM 0 HB2 PHE A 74 9.491 -19.427 -4.710 1.00 71.21 H new ATOM 0 HB3 PHE A 74 8.872 -20.195 -3.262 1.00 71.21 H new ATOM 0 HD1 PHE A 74 10.330 -21.308 -1.738 1.00 45.31 H new ATOM 0 HD2 PHE A 74 11.812 -19.991 -5.509 1.00 72.12 H new ATOM 0 HE1 PHE A 74 12.628 -21.744 -0.985 1.00 11.53 H new ATOM 0 HE2 PHE A 74 14.110 -20.429 -4.760 1.00 35.33 H new ATOM 0 HZ PHE A 74 14.523 -21.302 -2.495 1.00 71.41 H new ATOM 1150 N GLY A 75 6.782 -22.186 -4.076 1.00 4.14 N ATOM 1151 CA GLY A 75 5.901 -23.015 -3.274 1.00 42.54 C ATOM 1152 C GLY A 75 4.989 -22.198 -2.382 1.00 4.45 C ATOM 1153 O GLY A 75 3.864 -21.875 -2.763 1.00 21.53 O ATOM 0 H GLY A 75 6.315 -21.441 -4.593 1.00 4.14 H new ATOM 0 HA2 GLY A 75 5.296 -23.639 -3.932 1.00 42.54 H new ATOM 0 HA3 GLY A 75 6.500 -23.686 -2.659 1.00 42.54 H new ATOM 1157 N SER A 76 5.472 -21.861 -1.190 1.00 35.21 N ATOM 1158 CA SER A 76 4.689 -21.082 -0.239 1.00 0.45 C ATOM 1159 C SER A 76 5.505 -20.775 1.013 1.00 21.11 C ATOM 1160 O SER A 76 6.624 -21.261 1.173 1.00 32.31 O ATOM 1161 CB SER A 76 3.412 -21.833 0.140 1.00 32.12 C ATOM 1162 OG SER A 76 3.710 -23.129 0.629 1.00 24.41 O ATOM 0 H SER A 76 6.403 -22.116 -0.860 1.00 35.21 H new ATOM 0 HA SER A 76 4.418 -20.139 -0.715 1.00 0.45 H new ATOM 0 HB2 SER A 76 2.867 -21.271 0.898 1.00 32.12 H new ATOM 0 HB3 SER A 76 2.760 -21.910 -0.730 1.00 32.12 H new ATOM 0 HG SER A 76 2.878 -23.589 0.866 1.00 24.41 H new ATOM 1168 N SER A 77 4.934 -19.966 1.899 1.00 41.04 N ATOM 1169 CA SER A 77 5.608 -19.591 3.137 1.00 41.15 C ATOM 1170 C SER A 77 4.727 -18.671 3.978 1.00 50.01 C ATOM 1171 O SER A 77 4.096 -17.752 3.458 1.00 45.11 O ATOM 1172 CB SER A 77 6.938 -18.901 2.830 1.00 74.40 C ATOM 1173 OG SER A 77 7.169 -17.821 3.716 1.00 51.44 O ATOM 0 H SER A 77 4.007 -19.558 1.783 1.00 41.04 H new ATOM 0 HA SER A 77 5.802 -20.500 3.706 1.00 41.15 H new ATOM 0 HB2 SER A 77 7.752 -19.622 2.910 1.00 74.40 H new ATOM 0 HB3 SER A 77 6.934 -18.538 1.802 1.00 74.40 H new ATOM 0 HG SER A 77 8.088 -17.500 3.607 1.00 51.44 H new ATOM 1179 N LYS A 78 4.691 -18.926 5.281 1.00 74.02 N ATOM 1180 CA LYS A 78 3.890 -18.122 6.197 1.00 73.41 C ATOM 1181 C LYS A 78 4.263 -16.647 6.093 1.00 24.12 C ATOM 1182 O LYS A 78 3.391 -15.778 6.068 1.00 73.41 O ATOM 1183 CB LYS A 78 4.082 -18.608 7.636 1.00 13.22 C ATOM 1184 CG LYS A 78 3.182 -19.773 8.010 1.00 11.12 C ATOM 1185 CD LYS A 78 3.585 -20.385 9.341 1.00 1.21 C ATOM 1186 CE LYS A 78 2.486 -21.274 9.901 1.00 72.32 C ATOM 1187 NZ LYS A 78 1.269 -20.495 10.258 1.00 52.14 N ATOM 0 H LYS A 78 5.208 -19.684 5.727 1.00 74.02 H new ATOM 0 HA LYS A 78 2.842 -18.234 5.919 1.00 73.41 H new ATOM 0 HB2 LYS A 78 5.122 -18.904 7.775 1.00 13.22 H new ATOM 0 HB3 LYS A 78 3.892 -17.780 8.319 1.00 13.22 H new ATOM 0 HG2 LYS A 78 2.148 -19.432 8.064 1.00 11.12 H new ATOM 0 HG3 LYS A 78 3.227 -20.533 7.230 1.00 11.12 H new ATOM 0 HD2 LYS A 78 4.497 -20.969 9.213 1.00 1.21 H new ATOM 0 HD3 LYS A 78 3.811 -19.592 10.054 1.00 1.21 H new ATOM 0 HE2 LYS A 78 2.226 -22.036 9.167 1.00 72.32 H new ATOM 0 HE3 LYS A 78 2.855 -21.795 10.784 1.00 72.32 H new ATOM 0 HZ1 LYS A 78 0.699 -21.034 10.941 1.00 52.14 H new ATOM 0 HZ2 LYS A 78 1.550 -19.588 10.682 1.00 52.14 H new ATOM 0 HZ3 LYS A 78 0.707 -20.318 9.401 1.00 52.14 H new ATOM 1201 N GLU A 79 5.562 -16.372 6.033 1.00 73.10 N ATOM 1202 CA GLU A 79 6.048 -15.001 5.931 1.00 64.24 C ATOM 1203 C GLU A 79 5.528 -14.332 4.662 1.00 73.13 C ATOM 1204 O GLU A 79 4.987 -13.227 4.707 1.00 13.30 O ATOM 1205 CB GLU A 79 7.578 -14.976 5.944 1.00 64.31 C ATOM 1206 CG GLU A 79 8.175 -14.979 7.341 1.00 62.24 C ATOM 1207 CD GLU A 79 9.067 -16.179 7.592 1.00 33.00 C ATOM 1208 OE1 GLU A 79 8.597 -17.144 8.231 1.00 22.12 O ATOM 1209 OE2 GLU A 79 10.234 -16.155 7.148 1.00 74.22 O ATOM 0 H GLU A 79 6.296 -17.080 6.053 1.00 73.10 H new ATOM 0 HA GLU A 79 5.676 -14.446 6.792 1.00 64.24 H new ATOM 0 HB2 GLU A 79 7.952 -15.841 5.396 1.00 64.31 H new ATOM 0 HB3 GLU A 79 7.923 -14.089 5.413 1.00 64.31 H new ATOM 0 HG2 GLU A 79 8.751 -14.066 7.488 1.00 62.24 H new ATOM 0 HG3 GLU A 79 7.370 -14.969 8.076 1.00 62.24 H new ATOM 1216 N ILE A 80 5.696 -15.010 3.532 1.00 31.03 N ATOM 1217 CA ILE A 80 5.244 -14.482 2.251 1.00 32.12 C ATOM 1218 C ILE A 80 3.730 -14.293 2.237 1.00 73.33 C ATOM 1219 O ILE A 80 3.230 -13.240 1.841 1.00 31.41 O ATOM 1220 CB ILE A 80 5.644 -15.408 1.087 1.00 71.52 C ATOM 1221 CG1 ILE A 80 7.149 -15.680 1.118 1.00 12.13 C ATOM 1222 CG2 ILE A 80 5.238 -14.794 -0.243 1.00 0.15 C ATOM 1223 CD1 ILE A 80 7.601 -16.699 0.095 1.00 70.02 C ATOM 0 H ILE A 80 6.142 -15.926 3.477 1.00 31.03 H new ATOM 0 HA ILE A 80 5.730 -13.515 2.120 1.00 32.12 H new ATOM 0 HB ILE A 80 5.120 -16.357 1.200 1.00 71.52 H new ATOM 0 HG12 ILE A 80 7.682 -14.745 0.947 1.00 12.13 H new ATOM 0 HG13 ILE A 80 7.426 -16.028 2.113 1.00 12.13 H new ATOM 0 HG21 ILE A 80 5.528 -15.461 -1.055 1.00 0.15 H new ATOM 0 HG22 ILE A 80 4.158 -14.648 -0.262 1.00 0.15 H new ATOM 0 HG23 ILE A 80 5.737 -13.833 -0.367 1.00 0.15 H new ATOM 0 HD11 ILE A 80 8.679 -16.841 0.175 1.00 70.02 H new ATOM 0 HD12 ILE A 80 7.095 -17.647 0.278 1.00 70.02 H new ATOM 0 HD13 ILE A 80 7.355 -16.344 -0.906 1.00 70.02 H new ATOM 1235 N ASP A 81 3.008 -15.319 2.674 1.00 21.11 N ATOM 1236 CA ASP A 81 1.552 -15.265 2.716 1.00 62.31 C ATOM 1237 C ASP A 81 1.074 -14.016 3.450 1.00 44.21 C ATOM 1238 O ASP A 81 0.092 -13.388 3.055 1.00 74.25 O ATOM 1239 CB ASP A 81 0.992 -16.516 3.395 1.00 52.21 C ATOM 1240 CG ASP A 81 -0.515 -16.617 3.272 1.00 63.22 C ATOM 1241 OD1 ASP A 81 -1.210 -16.382 4.283 1.00 64.12 O ATOM 1242 OD2 ASP A 81 -1.000 -16.932 2.165 1.00 62.10 O ATOM 0 H ASP A 81 3.407 -16.198 3.004 1.00 21.11 H new ATOM 0 HA ASP A 81 1.186 -15.224 1.690 1.00 62.31 H new ATOM 0 HB2 ASP A 81 1.450 -17.401 2.953 1.00 52.21 H new ATOM 0 HB3 ASP A 81 1.268 -16.507 4.450 1.00 52.21 H new ATOM 1247 N MET A 82 1.776 -13.662 4.523 1.00 21.24 N ATOM 1248 CA MET A 82 1.423 -12.488 5.312 1.00 12.10 C ATOM 1249 C MET A 82 1.628 -11.209 4.506 1.00 43.43 C ATOM 1250 O MET A 82 0.734 -10.368 4.421 1.00 21.50 O ATOM 1251 CB MET A 82 2.261 -12.437 6.591 1.00 51.32 C ATOM 1252 CG MET A 82 1.443 -12.606 7.861 1.00 65.40 C ATOM 1253 SD MET A 82 2.469 -12.828 9.326 1.00 44.34 S ATOM 1254 CE MET A 82 1.346 -13.723 10.395 1.00 64.22 C ATOM 0 H MET A 82 2.591 -14.171 4.865 1.00 21.24 H new ATOM 0 HA MET A 82 0.369 -12.564 5.578 1.00 12.10 H new ATOM 0 HB2 MET A 82 3.019 -13.219 6.550 1.00 51.32 H new ATOM 0 HB3 MET A 82 2.788 -11.484 6.632 1.00 51.32 H new ATOM 0 HG2 MET A 82 0.807 -11.732 7.997 1.00 65.40 H new ATOM 0 HG3 MET A 82 0.783 -13.466 7.751 1.00 65.40 H new ATOM 0 HE1 MET A 82 1.838 -13.934 11.344 1.00 64.22 H new ATOM 0 HE2 MET A 82 0.456 -13.120 10.574 1.00 64.22 H new ATOM 0 HE3 MET A 82 1.059 -14.660 9.918 1.00 64.22 H new ATOM 1264 N ALA A 83 2.811 -11.069 3.917 1.00 1.03 N ATOM 1265 CA ALA A 83 3.131 -9.894 3.117 1.00 1.53 C ATOM 1266 C ALA A 83 2.060 -9.639 2.061 1.00 71.23 C ATOM 1267 O ALA A 83 1.736 -8.491 1.758 1.00 22.32 O ATOM 1268 CB ALA A 83 4.494 -10.058 2.460 1.00 2.45 C ATOM 0 H ALA A 83 3.563 -11.755 3.979 1.00 1.03 H new ATOM 0 HA ALA A 83 3.161 -9.030 3.781 1.00 1.53 H new ATOM 0 HB1 ALA A 83 4.720 -9.173 1.865 1.00 2.45 H new ATOM 0 HB2 ALA A 83 5.256 -10.183 3.229 1.00 2.45 H new ATOM 0 HB3 ALA A 83 4.483 -10.936 1.814 1.00 2.45 H new ATOM 1274 N ILE A 84 1.516 -10.717 1.506 1.00 50.01 N ATOM 1275 CA ILE A 84 0.481 -10.609 0.484 1.00 74.03 C ATOM 1276 C ILE A 84 -0.810 -10.045 1.068 1.00 35.21 C ATOM 1277 O ILE A 84 -1.289 -8.995 0.642 1.00 4.55 O ATOM 1278 CB ILE A 84 0.186 -11.975 -0.163 1.00 11.13 C ATOM 1279 CG1 ILE A 84 1.459 -12.557 -0.781 1.00 33.24 C ATOM 1280 CG2 ILE A 84 -0.905 -11.837 -1.214 1.00 31.44 C ATOM 1281 CD1 ILE A 84 1.358 -14.033 -1.094 1.00 54.14 C ATOM 0 H ILE A 84 1.774 -11.674 1.746 1.00 50.01 H new ATOM 0 HA ILE A 84 0.859 -9.929 -0.279 1.00 74.03 H new ATOM 0 HB ILE A 84 -0.165 -12.659 0.610 1.00 11.13 H new ATOM 0 HG12 ILE A 84 1.689 -12.014 -1.698 1.00 33.24 H new ATOM 0 HG13 ILE A 84 2.292 -12.395 -0.097 1.00 33.24 H new ATOM 0 HG21 ILE A 84 -1.103 -12.810 -1.663 1.00 31.44 H new ATOM 0 HG22 ILE A 84 -1.815 -11.461 -0.747 1.00 31.44 H new ATOM 0 HG23 ILE A 84 -0.580 -11.140 -1.987 1.00 31.44 H new ATOM 0 HD11 ILE A 84 2.296 -14.378 -1.529 1.00 54.14 H new ATOM 0 HD12 ILE A 84 1.159 -14.587 -0.176 1.00 54.14 H new ATOM 0 HD13 ILE A 84 0.546 -14.200 -1.802 1.00 54.14 H new ATOM 1293 N VAL A 85 -1.368 -10.751 2.046 1.00 45.32 N ATOM 1294 CA VAL A 85 -2.604 -10.320 2.691 1.00 52.40 C ATOM 1295 C VAL A 85 -2.453 -8.926 3.288 1.00 4.24 C ATOM 1296 O VAL A 85 -3.422 -8.172 3.385 1.00 24.04 O ATOM 1297 CB VAL A 85 -3.028 -11.299 3.801 1.00 20.34 C ATOM 1298 CG1 VAL A 85 -3.380 -12.656 3.211 1.00 10.45 C ATOM 1299 CG2 VAL A 85 -1.928 -11.431 4.843 1.00 42.12 C ATOM 0 H VAL A 85 -0.985 -11.624 2.409 1.00 45.32 H new ATOM 0 HA VAL A 85 -3.375 -10.301 1.920 1.00 52.40 H new ATOM 0 HB VAL A 85 -3.916 -10.902 4.292 1.00 20.34 H new ATOM 0 HG11 VAL A 85 -3.677 -13.334 4.011 1.00 10.45 H new ATOM 0 HG12 VAL A 85 -4.203 -12.544 2.506 1.00 10.45 H new ATOM 0 HG13 VAL A 85 -2.512 -13.064 2.693 1.00 10.45 H new ATOM 0 HG21 VAL A 85 -2.245 -12.127 5.620 1.00 42.12 H new ATOM 0 HG22 VAL A 85 -1.021 -11.805 4.369 1.00 42.12 H new ATOM 0 HG23 VAL A 85 -1.729 -10.456 5.288 1.00 42.12 H new ATOM 1309 N THR A 86 -1.231 -8.586 3.686 1.00 61.04 N ATOM 1310 CA THR A 86 -0.954 -7.283 4.275 1.00 2.43 C ATOM 1311 C THR A 86 -1.180 -6.164 3.264 1.00 44.54 C ATOM 1312 O THR A 86 -1.964 -5.244 3.505 1.00 52.10 O ATOM 1313 CB THR A 86 0.492 -7.200 4.801 1.00 1.23 C ATOM 1314 OG1 THR A 86 0.697 -8.180 5.824 1.00 55.43 O ATOM 1315 CG2 THR A 86 0.788 -5.813 5.353 1.00 22.13 C ATOM 0 H THR A 86 -0.417 -9.196 3.611 1.00 61.04 H new ATOM 0 HA THR A 86 -1.644 -7.160 5.110 1.00 2.43 H new ATOM 0 HB THR A 86 1.170 -7.395 3.970 1.00 1.23 H new ATOM 0 HG1 THR A 86 0.509 -9.072 5.465 1.00 55.43 H new ATOM 0 HG21 THR A 86 1.814 -5.778 5.719 1.00 22.13 H new ATOM 0 HG22 THR A 86 0.659 -5.072 4.564 1.00 22.13 H new ATOM 0 HG23 THR A 86 0.103 -5.594 6.172 1.00 22.13 H new ATOM 1323 N LEU A 87 -0.489 -6.247 2.133 1.00 34.21 N ATOM 1324 CA LEU A 87 -0.615 -5.241 1.083 1.00 63.20 C ATOM 1325 C LEU A 87 -2.065 -5.108 0.627 1.00 74.21 C ATOM 1326 O LEU A 87 -2.526 -4.016 0.298 1.00 65.04 O ATOM 1327 CB LEU A 87 0.276 -5.602 -0.107 1.00 64.41 C ATOM 1328 CG LEU A 87 1.768 -5.745 0.191 1.00 40.22 C ATOM 1329 CD1 LEU A 87 2.450 -6.575 -0.884 1.00 31.32 C ATOM 1330 CD2 LEU A 87 2.423 -4.376 0.305 1.00 61.34 C ATOM 0 H LEU A 87 0.165 -7.000 1.919 1.00 34.21 H new ATOM 0 HA LEU A 87 -0.293 -4.283 1.491 1.00 63.20 H new ATOM 0 HB2 LEU A 87 -0.081 -6.541 -0.531 1.00 64.41 H new ATOM 0 HB3 LEU A 87 0.151 -4.838 -0.874 1.00 64.41 H new ATOM 0 HG LEU A 87 1.880 -6.260 1.145 1.00 40.22 H new ATOM 0 HD11 LEU A 87 3.512 -6.666 -0.655 1.00 31.32 H new ATOM 0 HD12 LEU A 87 2.000 -7.567 -0.918 1.00 31.32 H new ATOM 0 HD13 LEU A 87 2.328 -6.088 -1.852 1.00 31.32 H new ATOM 0 HD21 LEU A 87 3.485 -4.497 0.517 1.00 61.34 H new ATOM 0 HD22 LEU A 87 2.300 -3.835 -0.633 1.00 61.34 H new ATOM 0 HD23 LEU A 87 1.953 -3.814 1.112 1.00 61.34 H new ATOM 1342 N LYS A 88 -2.779 -6.230 0.611 1.00 2.32 N ATOM 1343 CA LYS A 88 -4.177 -6.240 0.199 1.00 10.41 C ATOM 1344 C LYS A 88 -5.036 -5.434 1.168 1.00 4.21 C ATOM 1345 O LYS A 88 -5.752 -4.518 0.764 1.00 1.12 O ATOM 1346 CB LYS A 88 -4.696 -7.678 0.116 1.00 54.41 C ATOM 1347 CG LYS A 88 -4.641 -8.263 -1.285 1.00 61.13 C ATOM 1348 CD LYS A 88 -4.091 -9.680 -1.276 1.00 22.41 C ATOM 1349 CE LYS A 88 -4.679 -10.513 -2.405 1.00 22.41 C ATOM 1350 NZ LYS A 88 -3.842 -11.707 -2.707 1.00 2.32 N ATOM 0 H LYS A 88 -2.412 -7.143 0.879 1.00 2.32 H new ATOM 0 HA LYS A 88 -4.242 -5.779 -0.787 1.00 10.41 H new ATOM 0 HB2 LYS A 88 -4.110 -8.306 0.787 1.00 54.41 H new ATOM 0 HB3 LYS A 88 -5.726 -7.705 0.472 1.00 54.41 H new ATOM 0 HG2 LYS A 88 -5.640 -8.262 -1.720 1.00 61.13 H new ATOM 0 HG3 LYS A 88 -4.017 -7.633 -1.919 1.00 61.13 H new ATOM 0 HD2 LYS A 88 -3.006 -9.651 -1.371 1.00 22.41 H new ATOM 0 HD3 LYS A 88 -4.315 -10.152 -0.319 1.00 22.41 H new ATOM 0 HE2 LYS A 88 -5.685 -10.834 -2.134 1.00 22.41 H new ATOM 0 HE3 LYS A 88 -4.771 -9.898 -3.300 1.00 22.41 H new ATOM 0 HZ1 LYS A 88 -4.433 -12.445 -3.140 1.00 2.32 H new ATOM 0 HZ2 LYS A 88 -3.083 -11.441 -3.366 1.00 2.32 H new ATOM 0 HZ3 LYS A 88 -3.425 -12.070 -1.826 1.00 2.32 H new ATOM 1364 N VAL A 89 -4.959 -5.781 2.449 1.00 25.51 N ATOM 1365 CA VAL A 89 -5.728 -5.088 3.476 1.00 73.21 C ATOM 1366 C VAL A 89 -5.519 -3.581 3.395 1.00 42.35 C ATOM 1367 O VAL A 89 -6.468 -2.804 3.505 1.00 63.32 O ATOM 1368 CB VAL A 89 -5.345 -5.574 4.886 1.00 63.31 C ATOM 1369 CG1 VAL A 89 -6.146 -4.829 5.944 1.00 23.12 C ATOM 1370 CG2 VAL A 89 -5.555 -7.076 5.007 1.00 51.03 C ATOM 0 H VAL A 89 -4.372 -6.538 2.800 1.00 25.51 H new ATOM 0 HA VAL A 89 -6.778 -5.316 3.294 1.00 73.21 H new ATOM 0 HB VAL A 89 -4.288 -5.363 5.049 1.00 63.31 H new ATOM 0 HG11 VAL A 89 -5.862 -5.186 6.934 1.00 23.12 H new ATOM 0 HG12 VAL A 89 -5.941 -3.761 5.871 1.00 23.12 H new ATOM 0 HG13 VAL A 89 -7.210 -5.006 5.786 1.00 23.12 H new ATOM 0 HG21 VAL A 89 -5.279 -7.402 6.010 1.00 51.03 H new ATOM 0 HG22 VAL A 89 -6.603 -7.313 4.824 1.00 51.03 H new ATOM 0 HG23 VAL A 89 -4.933 -7.591 4.274 1.00 51.03 H new ATOM 1380 N PHE A 90 -4.270 -3.172 3.202 1.00 11.31 N ATOM 1381 CA PHE A 90 -3.934 -1.756 3.107 1.00 43.23 C ATOM 1382 C PHE A 90 -4.532 -1.138 1.846 1.00 54.11 C ATOM 1383 O PHE A 90 -5.016 -0.008 1.864 1.00 1.23 O ATOM 1384 CB PHE A 90 -2.416 -1.567 3.111 1.00 44.11 C ATOM 1385 CG PHE A 90 -1.987 -0.151 2.849 1.00 73.33 C ATOM 1386 CD1 PHE A 90 -1.713 0.277 1.560 1.00 61.51 C ATOM 1387 CD2 PHE A 90 -1.855 0.750 3.893 1.00 64.22 C ATOM 1388 CE1 PHE A 90 -1.319 1.579 1.316 1.00 54.15 C ATOM 1389 CE2 PHE A 90 -1.461 2.054 3.655 1.00 34.44 C ATOM 1390 CZ PHE A 90 -1.191 2.468 2.365 1.00 62.15 C ATOM 0 H PHE A 90 -3.473 -3.801 3.108 1.00 11.31 H new ATOM 0 HA PHE A 90 -4.357 -1.250 3.975 1.00 43.23 H new ATOM 0 HB2 PHE A 90 -2.021 -1.885 4.076 1.00 44.11 H new ATOM 0 HB3 PHE A 90 -1.975 -2.217 2.356 1.00 44.11 H new ATOM 0 HD1 PHE A 90 -1.808 -0.415 0.736 1.00 61.51 H new ATOM 0 HD2 PHE A 90 -2.062 0.431 4.904 1.00 64.22 H new ATOM 0 HE1 PHE A 90 -1.111 1.901 0.306 1.00 54.15 H new ATOM 0 HE2 PHE A 90 -1.364 2.748 4.477 1.00 34.44 H new ATOM 0 HZ PHE A 90 -0.880 3.485 2.177 1.00 62.15 H new ATOM 1400 N ALA A 91 -4.492 -1.891 0.751 1.00 33.11 N ATOM 1401 CA ALA A 91 -5.029 -1.420 -0.519 1.00 31.34 C ATOM 1402 C ALA A 91 -6.543 -1.247 -0.445 1.00 51.41 C ATOM 1403 O ALA A 91 -7.079 -0.206 -0.828 1.00 73.15 O ATOM 1404 CB ALA A 91 -4.661 -2.383 -1.638 1.00 22.33 C ATOM 0 H ALA A 91 -4.093 -2.829 0.719 1.00 33.11 H new ATOM 0 HA ALA A 91 -4.588 -0.446 -0.732 1.00 31.34 H new ATOM 0 HB1 ALA A 91 -5.069 -2.018 -2.581 1.00 22.33 H new ATOM 0 HB2 ALA A 91 -3.576 -2.454 -1.715 1.00 22.33 H new ATOM 0 HB3 ALA A 91 -5.074 -3.368 -1.421 1.00 22.33 H new ATOM 1410 N VAL A 92 -7.228 -2.273 0.050 1.00 54.35 N ATOM 1411 CA VAL A 92 -8.680 -2.234 0.176 1.00 13.32 C ATOM 1412 C VAL A 92 -9.112 -1.250 1.257 1.00 2.24 C ATOM 1413 O VAL A 92 -9.859 -0.308 0.990 1.00 75.15 O ATOM 1414 CB VAL A 92 -9.252 -3.626 0.505 1.00 1.33 C ATOM 1415 CG1 VAL A 92 -10.772 -3.582 0.548 1.00 41.21 C ATOM 1416 CG2 VAL A 92 -8.769 -4.653 -0.507 1.00 51.03 C ATOM 0 H VAL A 92 -6.800 -3.142 0.370 1.00 54.35 H new ATOM 0 HA VAL A 92 -9.073 -1.906 -0.787 1.00 13.32 H new ATOM 0 HB VAL A 92 -8.893 -3.924 1.490 1.00 1.33 H new ATOM 0 HG11 VAL A 92 -11.158 -4.574 0.782 1.00 41.21 H new ATOM 0 HG12 VAL A 92 -11.094 -2.877 1.315 1.00 41.21 H new ATOM 0 HG13 VAL A 92 -11.154 -3.263 -0.422 1.00 41.21 H new ATOM 0 HG21 VAL A 92 -9.183 -5.630 -0.259 1.00 51.03 H new ATOM 0 HG22 VAL A 92 -9.097 -4.363 -1.505 1.00 51.03 H new ATOM 0 HG23 VAL A 92 -7.680 -4.703 -0.483 1.00 51.03 H new ATOM 1426 N ALA A 93 -8.636 -1.474 2.478 1.00 21.32 N ATOM 1427 CA ALA A 93 -8.971 -0.605 3.599 1.00 23.45 C ATOM 1428 C ALA A 93 -8.437 0.806 3.379 1.00 2.11 C ATOM 1429 O ALA A 93 -8.845 1.747 4.057 1.00 4.14 O ATOM 1430 CB ALA A 93 -8.424 -1.183 4.896 1.00 71.51 C ATOM 0 H ALA A 93 -8.018 -2.250 2.715 1.00 21.32 H new ATOM 0 HA ALA A 93 -10.057 -0.546 3.670 1.00 23.45 H new ATOM 0 HB1 ALA A 93 -8.681 -0.524 5.725 1.00 71.51 H new ATOM 0 HB2 ALA A 93 -8.858 -2.168 5.067 1.00 71.51 H new ATOM 0 HB3 ALA A 93 -7.340 -1.272 4.826 1.00 71.51 H new ATOM 1436 N GLY A 94 -7.520 0.944 2.426 1.00 43.14 N ATOM 1437 CA GLY A 94 -6.944 2.244 2.135 1.00 14.30 C ATOM 1438 C GLY A 94 -7.638 2.941 0.981 1.00 71.24 C ATOM 1439 O GLY A 94 -8.365 3.915 1.182 1.00 14.31 O ATOM 0 H GLY A 94 -7.166 0.180 1.851 1.00 43.14 H new ATOM 0 HA2 GLY A 94 -7.005 2.872 3.024 1.00 14.30 H new ATOM 0 HA3 GLY A 94 -5.886 2.125 1.900 1.00 14.30 H new ATOM 1443 N LEU A 95 -7.413 2.443 -0.229 1.00 73.52 N ATOM 1444 CA LEU A 95 -8.022 3.024 -1.421 1.00 2.21 C ATOM 1445 C LEU A 95 -9.544 2.948 -1.348 1.00 54.01 C ATOM 1446 O LEU A 95 -10.238 3.927 -1.623 1.00 21.55 O ATOM 1447 CB LEU A 95 -7.523 2.305 -2.675 1.00 2.22 C ATOM 1448 CG LEU A 95 -6.089 2.620 -3.104 1.00 23.10 C ATOM 1449 CD1 LEU A 95 -5.884 4.123 -3.218 1.00 2.01 C ATOM 1450 CD2 LEU A 95 -5.095 2.017 -2.124 1.00 51.32 C ATOM 0 H LEU A 95 -6.813 1.638 -0.411 1.00 73.52 H new ATOM 0 HA LEU A 95 -7.732 4.073 -1.472 1.00 2.21 H new ATOM 0 HB2 LEU A 95 -7.604 1.231 -2.510 1.00 2.22 H new ATOM 0 HB3 LEU A 95 -8.190 2.552 -3.501 1.00 2.22 H new ATOM 0 HG LEU A 95 -5.917 2.175 -4.084 1.00 23.10 H new ATOM 0 HD11 LEU A 95 -4.858 4.328 -3.524 1.00 2.01 H new ATOM 0 HD12 LEU A 95 -6.572 4.529 -3.960 1.00 2.01 H new ATOM 0 HD13 LEU A 95 -6.075 4.591 -2.252 1.00 2.01 H new ATOM 0 HD21 LEU A 95 -4.080 2.251 -2.445 1.00 51.32 H new ATOM 0 HD22 LEU A 95 -5.266 2.432 -1.131 1.00 51.32 H new ATOM 0 HD23 LEU A 95 -5.225 0.935 -2.093 1.00 51.32 H new ATOM 1462 N LEU A 96 -10.054 1.780 -0.974 1.00 21.02 N ATOM 1463 CA LEU A 96 -11.495 1.576 -0.862 1.00 0.41 C ATOM 1464 C LEU A 96 -12.009 2.051 0.493 1.00 74.23 C ATOM 1465 O LEU A 96 -13.202 1.967 0.780 1.00 75.52 O ATOM 1466 CB LEU A 96 -11.837 0.099 -1.062 1.00 61.25 C ATOM 1467 CG LEU A 96 -12.832 -0.215 -2.180 1.00 54.52 C ATOM 1468 CD1 LEU A 96 -12.221 0.091 -3.539 1.00 71.05 C ATOM 1469 CD2 LEU A 96 -13.274 -1.669 -2.108 1.00 41.10 C ATOM 0 H LEU A 96 -9.492 0.960 -0.743 1.00 21.02 H new ATOM 0 HA LEU A 96 -11.982 2.164 -1.640 1.00 0.41 H new ATOM 0 HB2 LEU A 96 -10.913 -0.443 -1.263 1.00 61.25 H new ATOM 0 HB3 LEU A 96 -12.238 -0.290 -0.126 1.00 61.25 H new ATOM 0 HG LEU A 96 -13.710 0.418 -2.048 1.00 54.52 H new ATOM 0 HD11 LEU A 96 -12.943 -0.138 -4.323 1.00 71.05 H new ATOM 0 HD12 LEU A 96 -11.955 1.147 -3.589 1.00 71.05 H new ATOM 0 HD13 LEU A 96 -11.327 -0.516 -3.681 1.00 71.05 H new ATOM 0 HD21 LEU A 96 -13.982 -1.874 -2.911 1.00 41.10 H new ATOM 0 HD22 LEU A 96 -12.406 -2.319 -2.215 1.00 41.10 H new ATOM 0 HD23 LEU A 96 -13.752 -1.857 -1.146 1.00 41.10 H new ATOM 1481 N ASN A 97 -11.099 2.552 1.323 1.00 75.42 N ATOM 1482 CA ASN A 97 -11.460 3.041 2.648 1.00 1.50 C ATOM 1483 C ASN A 97 -12.271 1.998 3.411 1.00 31.53 C ATOM 1484 O ASN A 97 -13.098 2.337 4.258 1.00 15.14 O ATOM 1485 CB ASN A 97 -12.260 4.340 2.533 1.00 42.54 C ATOM 1486 CG ASN A 97 -11.378 5.536 2.226 1.00 11.22 C ATOM 1487 OD1 ASN A 97 -10.808 6.149 3.128 1.00 51.42 O ATOM 1488 ND2 ASN A 97 -11.264 5.873 0.947 1.00 31.43 N ATOM 0 H ASN A 97 -10.107 2.630 1.101 1.00 75.42 H new ATOM 0 HA ASN A 97 -10.540 3.235 3.200 1.00 1.50 H new ATOM 0 HB2 ASN A 97 -13.010 4.234 1.749 1.00 42.54 H new ATOM 0 HB3 ASN A 97 -12.797 4.517 3.465 1.00 42.54 H new ATOM 0 HD21 ASN A 97 -10.685 6.669 0.679 1.00 31.43 H new ATOM 0 HD22 ASN A 97 -11.755 5.336 0.232 1.00 31.43 H new ATOM 1495 N MET A 98 -12.027 0.728 3.106 1.00 3.10 N ATOM 1496 CA MET A 98 -12.734 -0.365 3.765 1.00 15.00 C ATOM 1497 C MET A 98 -12.093 -0.693 5.110 1.00 21.11 C ATOM 1498 O MET A 98 -11.207 0.021 5.578 1.00 53.01 O ATOM 1499 CB MET A 98 -12.739 -1.608 2.872 1.00 21.22 C ATOM 1500 CG MET A 98 -14.132 -2.145 2.586 1.00 53.33 C ATOM 1501 SD MET A 98 -14.164 -3.285 1.190 1.00 4.40 S ATOM 1502 CE MET A 98 -15.847 -3.889 1.285 1.00 72.33 C ATOM 0 H MET A 98 -11.346 0.430 2.408 1.00 3.10 H new ATOM 0 HA MET A 98 -13.762 -0.048 3.940 1.00 15.00 H new ATOM 0 HB2 MET A 98 -12.250 -1.369 1.928 1.00 21.22 H new ATOM 0 HB3 MET A 98 -12.148 -2.390 3.348 1.00 21.22 H new ATOM 0 HG2 MET A 98 -14.511 -2.653 3.473 1.00 53.33 H new ATOM 0 HG3 MET A 98 -14.804 -1.311 2.384 1.00 53.33 H new ATOM 0 HE1 MET A 98 -16.022 -4.607 0.484 1.00 72.33 H new ATOM 0 HE2 MET A 98 -16.005 -4.375 2.248 1.00 72.33 H new ATOM 0 HE3 MET A 98 -16.540 -3.054 1.181 1.00 72.33 H new ATOM 1512 N THR A 99 -12.549 -1.778 5.728 1.00 31.43 N ATOM 1513 CA THR A 99 -12.023 -2.200 7.020 1.00 11.21 C ATOM 1514 C THR A 99 -12.275 -3.685 7.258 1.00 1.11 C ATOM 1515 O THR A 99 -13.092 -4.058 8.099 1.00 64.23 O ATOM 1516 CB THR A 99 -12.649 -1.393 8.173 1.00 11.35 C ATOM 1517 OG1 THR A 99 -12.826 -0.029 7.775 1.00 53.32 O ATOM 1518 CG2 THR A 99 -11.772 -1.455 9.414 1.00 24.30 C ATOM 0 H THR A 99 -13.282 -2.381 5.354 1.00 31.43 H new ATOM 0 HA THR A 99 -10.949 -2.015 6.999 1.00 11.21 H new ATOM 0 HB THR A 99 -13.619 -1.831 8.411 1.00 11.35 H new ATOM 0 HG1 THR A 99 -13.226 0.478 8.512 1.00 53.32 H new ATOM 0 HG21 THR A 99 -12.234 -0.878 10.215 1.00 24.30 H new ATOM 0 HG22 THR A 99 -11.662 -2.492 9.731 1.00 24.30 H new ATOM 0 HG23 THR A 99 -10.790 -1.039 9.187 1.00 24.30 H new ATOM 1526 N VAL A 100 -11.567 -4.528 6.514 1.00 21.30 N ATOM 1527 CA VAL A 100 -11.713 -5.973 6.645 1.00 65.32 C ATOM 1528 C VAL A 100 -11.570 -6.409 8.100 1.00 0.13 C ATOM 1529 O VAL A 100 -10.837 -5.793 8.874 1.00 61.20 O ATOM 1530 CB VAL A 100 -10.673 -6.722 5.792 1.00 32.24 C ATOM 1531 CG1 VAL A 100 -10.778 -6.303 4.334 1.00 34.30 C ATOM 1532 CG2 VAL A 100 -9.270 -6.479 6.326 1.00 41.10 C ATOM 0 H VAL A 100 -10.886 -4.235 5.814 1.00 21.30 H new ATOM 0 HA VAL A 100 -12.712 -6.224 6.289 1.00 65.32 H new ATOM 0 HB VAL A 100 -10.879 -7.790 5.854 1.00 32.24 H new ATOM 0 HG11 VAL A 100 -10.035 -6.842 3.746 1.00 34.30 H new ATOM 0 HG12 VAL A 100 -11.775 -6.535 3.960 1.00 34.30 H new ATOM 0 HG13 VAL A 100 -10.599 -5.231 4.250 1.00 34.30 H new ATOM 0 HG21 VAL A 100 -8.548 -7.016 5.711 1.00 41.10 H new ATOM 0 HG22 VAL A 100 -9.049 -5.412 6.296 1.00 41.10 H new ATOM 0 HG23 VAL A 100 -9.206 -6.834 7.354 1.00 41.10 H new ATOM 1542 N SER A 101 -12.275 -7.475 8.464 1.00 60.00 N ATOM 1543 CA SER A 101 -12.230 -7.992 9.827 1.00 32.13 C ATOM 1544 C SER A 101 -10.986 -8.848 10.042 1.00 53.51 C ATOM 1545 O SER A 101 -10.472 -8.951 11.157 1.00 31.31 O ATOM 1546 CB SER A 101 -13.485 -8.814 10.125 1.00 4.04 C ATOM 1547 OG SER A 101 -14.626 -7.980 10.235 1.00 61.14 O ATOM 0 H SER A 101 -12.884 -7.998 7.834 1.00 60.00 H new ATOM 0 HA SER A 101 -12.189 -7.143 10.510 1.00 32.13 H new ATOM 0 HB2 SER A 101 -13.641 -9.546 9.333 1.00 4.04 H new ATOM 0 HB3 SER A 101 -13.347 -9.371 11.052 1.00 4.04 H new ATOM 0 HG SER A 101 -15.415 -8.529 10.424 1.00 61.14 H new ATOM 1553 N THR A 102 -10.503 -9.461 8.964 1.00 42.15 N ATOM 1554 CA THR A 102 -9.320 -10.309 9.034 1.00 44.53 C ATOM 1555 C THR A 102 -8.485 -10.193 7.764 1.00 10.35 C ATOM 1556 O THR A 102 -9.025 -10.104 6.661 1.00 4.32 O ATOM 1557 CB THR A 102 -9.699 -11.786 9.252 1.00 50.43 C ATOM 1558 OG1 THR A 102 -10.218 -12.343 8.039 1.00 62.21 O ATOM 1559 CG2 THR A 102 -10.732 -11.921 10.361 1.00 71.14 C ATOM 0 H THR A 102 -10.913 -9.385 8.033 1.00 42.15 H new ATOM 0 HA THR A 102 -8.733 -9.963 9.885 1.00 44.53 H new ATOM 0 HB THR A 102 -8.801 -12.329 9.545 1.00 50.43 H new ATOM 0 HG1 THR A 102 -10.455 -13.283 8.186 1.00 62.21 H new ATOM 0 HG21 THR A 102 -10.984 -12.973 10.497 1.00 71.14 H new ATOM 0 HG22 THR A 102 -10.323 -11.523 11.290 1.00 71.14 H new ATOM 0 HG23 THR A 102 -11.630 -11.364 10.092 1.00 71.14 H new ATOM 1567 N ALA A 103 -7.166 -10.195 7.925 1.00 42.13 N ATOM 1568 CA ALA A 103 -6.258 -10.092 6.791 1.00 53.32 C ATOM 1569 C ALA A 103 -6.587 -11.134 5.727 1.00 40.33 C ATOM 1570 O ALA A 103 -6.433 -10.885 4.532 1.00 33.03 O ATOM 1571 CB ALA A 103 -4.815 -10.246 7.253 1.00 23.12 C ATOM 0 H ALA A 103 -6.703 -10.267 8.831 1.00 42.13 H new ATOM 0 HA ALA A 103 -6.383 -9.104 6.347 1.00 53.32 H new ATOM 0 HB1 ALA A 103 -4.148 -10.167 6.395 1.00 23.12 H new ATOM 0 HB2 ALA A 103 -4.577 -9.461 7.971 1.00 23.12 H new ATOM 0 HB3 ALA A 103 -4.686 -11.220 7.724 1.00 23.12 H new ATOM 1577 N ALA A 104 -7.041 -12.302 6.170 1.00 40.31 N ATOM 1578 CA ALA A 104 -7.393 -13.381 5.256 1.00 22.40 C ATOM 1579 C ALA A 104 -8.592 -13.001 4.394 1.00 41.41 C ATOM 1580 O ALA A 104 -8.636 -13.311 3.204 1.00 51.52 O ATOM 1581 CB ALA A 104 -7.683 -14.657 6.033 1.00 12.11 C ATOM 0 H ALA A 104 -7.174 -12.525 7.157 1.00 40.31 H new ATOM 0 HA ALA A 104 -6.544 -13.556 4.595 1.00 22.40 H new ATOM 0 HB1 ALA A 104 -7.945 -15.455 5.338 1.00 12.11 H new ATOM 0 HB2 ALA A 104 -6.799 -14.946 6.601 1.00 12.11 H new ATOM 0 HB3 ALA A 104 -8.514 -14.485 6.717 1.00 12.11 H new ATOM 1587 N ALA A 105 -9.563 -12.327 5.002 1.00 50.24 N ATOM 1588 CA ALA A 105 -10.761 -11.903 4.290 1.00 22.21 C ATOM 1589 C ALA A 105 -10.424 -10.881 3.209 1.00 22.20 C ATOM 1590 O ALA A 105 -10.958 -10.937 2.101 1.00 75.30 O ATOM 1591 CB ALA A 105 -11.778 -11.328 5.264 1.00 25.24 C ATOM 0 H ALA A 105 -9.543 -12.063 5.987 1.00 50.24 H new ATOM 0 HA ALA A 105 -11.194 -12.778 3.804 1.00 22.21 H new ATOM 0 HB1 ALA A 105 -12.668 -11.015 4.718 1.00 25.24 H new ATOM 0 HB2 ALA A 105 -12.050 -12.088 5.997 1.00 25.24 H new ATOM 0 HB3 ALA A 105 -11.346 -10.468 5.776 1.00 25.24 H new ATOM 1597 N ALA A 106 -9.537 -9.948 3.538 1.00 62.53 N ATOM 1598 CA ALA A 106 -9.130 -8.915 2.595 1.00 55.25 C ATOM 1599 C ALA A 106 -8.492 -9.527 1.352 1.00 70.53 C ATOM 1600 O ALA A 106 -8.882 -9.215 0.227 1.00 13.40 O ATOM 1601 CB ALA A 106 -8.164 -7.944 3.261 1.00 23.41 C ATOM 0 H ALA A 106 -9.087 -9.887 4.451 1.00 62.53 H new ATOM 0 HA ALA A 106 -10.021 -8.370 2.284 1.00 55.25 H new ATOM 0 HB1 ALA A 106 -7.868 -7.177 2.545 1.00 23.41 H new ATOM 0 HB2 ALA A 106 -8.652 -7.474 4.115 1.00 23.41 H new ATOM 0 HB3 ALA A 106 -7.280 -8.485 3.600 1.00 23.41 H new ATOM 1607 N GLU A 107 -7.511 -10.400 1.563 1.00 25.34 N ATOM 1608 CA GLU A 107 -6.822 -11.053 0.458 1.00 75.14 C ATOM 1609 C GLU A 107 -7.805 -11.821 -0.421 1.00 64.23 C ATOM 1610 O GLU A 107 -7.696 -11.812 -1.646 1.00 61.15 O ATOM 1611 CB GLU A 107 -5.747 -12.004 0.991 1.00 34.43 C ATOM 1612 CG GLU A 107 -5.131 -12.888 -0.082 1.00 61.25 C ATOM 1613 CD GLU A 107 -5.466 -14.355 0.109 1.00 12.34 C ATOM 1614 OE1 GLU A 107 -4.734 -15.037 0.857 1.00 23.52 O ATOM 1615 OE2 GLU A 107 -6.457 -14.821 -0.491 1.00 11.24 O ATOM 0 H GLU A 107 -7.177 -10.670 2.488 1.00 25.34 H new ATOM 0 HA GLU A 107 -6.348 -10.281 -0.148 1.00 75.14 H new ATOM 0 HB2 GLU A 107 -4.959 -11.419 1.465 1.00 34.43 H new ATOM 0 HB3 GLU A 107 -6.184 -12.636 1.764 1.00 34.43 H new ATOM 0 HG2 GLU A 107 -5.483 -12.563 -1.061 1.00 61.25 H new ATOM 0 HG3 GLU A 107 -4.048 -12.762 -0.074 1.00 61.25 H new ATOM 1622 N ASN A 108 -8.766 -12.484 0.216 1.00 53.51 N ATOM 1623 CA ASN A 108 -9.768 -13.258 -0.508 1.00 43.10 C ATOM 1624 C ASN A 108 -10.618 -12.352 -1.393 1.00 62.31 C ATOM 1625 O ASN A 108 -10.970 -12.717 -2.515 1.00 20.31 O ATOM 1626 CB ASN A 108 -10.663 -14.016 0.474 1.00 64.34 C ATOM 1627 CG ASN A 108 -10.846 -15.470 0.086 1.00 64.11 C ATOM 1628 OD1 ASN A 108 -10.694 -16.369 0.913 1.00 20.11 O ATOM 1629 ND2 ASN A 108 -11.175 -15.707 -1.179 1.00 31.41 N ATOM 0 H ASN A 108 -8.872 -12.501 1.230 1.00 53.51 H new ATOM 0 HA ASN A 108 -9.249 -13.975 -1.144 1.00 43.10 H new ATOM 0 HB2 ASN A 108 -10.230 -13.961 1.473 1.00 64.34 H new ATOM 0 HB3 ASN A 108 -11.638 -13.530 0.522 1.00 64.34 H new ATOM 0 HD21 ASN A 108 -11.312 -16.666 -1.499 1.00 31.41 H new ATOM 0 HD22 ASN A 108 -11.291 -14.930 -1.830 1.00 31.41 H new ATOM 1636 N MET A 109 -10.945 -11.171 -0.881 1.00 3.32 N ATOM 1637 CA MET A 109 -11.753 -10.211 -1.627 1.00 73.54 C ATOM 1638 C MET A 109 -11.029 -9.756 -2.890 1.00 41.13 C ATOM 1639 O MET A 109 -11.637 -9.624 -3.953 1.00 43.45 O ATOM 1640 CB MET A 109 -12.085 -9.002 -0.751 1.00 23.42 C ATOM 1641 CG MET A 109 -13.254 -9.237 0.191 1.00 63.12 C ATOM 1642 SD MET A 109 -14.830 -9.369 -0.675 1.00 70.10 S ATOM 1643 CE MET A 109 -15.738 -8.013 0.063 1.00 14.31 C ATOM 0 H MET A 109 -10.664 -10.855 0.047 1.00 3.32 H new ATOM 0 HA MET A 109 -12.680 -10.704 -1.919 1.00 73.54 H new ATOM 0 HB2 MET A 109 -11.205 -8.735 -0.165 1.00 23.42 H new ATOM 0 HB3 MET A 109 -12.311 -8.150 -1.392 1.00 23.42 H new ATOM 0 HG2 MET A 109 -13.079 -10.150 0.760 1.00 63.12 H new ATOM 0 HG3 MET A 109 -13.306 -8.419 0.910 1.00 63.12 H new ATOM 0 HE1 MET A 109 -16.736 -7.965 -0.372 1.00 14.31 H new ATOM 0 HE2 MET A 109 -15.818 -8.171 1.139 1.00 14.31 H new ATOM 0 HE3 MET A 109 -15.213 -7.077 -0.128 1.00 14.31 H new ATOM 1653 N TYR A 110 -9.728 -9.519 -2.767 1.00 41.41 N ATOM 1654 CA TYR A 110 -8.921 -9.074 -3.898 1.00 31.52 C ATOM 1655 C TYR A 110 -8.926 -10.116 -5.013 1.00 64.42 C ATOM 1656 O TYR A 110 -9.202 -9.802 -6.171 1.00 63.34 O ATOM 1657 CB TYR A 110 -7.486 -8.798 -3.450 1.00 54.51 C ATOM 1658 CG TYR A 110 -7.040 -7.373 -3.689 1.00 31.50 C ATOM 1659 CD1 TYR A 110 -7.740 -6.305 -3.142 1.00 31.14 C ATOM 1660 CD2 TYR A 110 -5.920 -7.095 -4.463 1.00 53.30 C ATOM 1661 CE1 TYR A 110 -7.338 -5.002 -3.359 1.00 45.43 C ATOM 1662 CE2 TYR A 110 -5.509 -5.794 -4.684 1.00 60.23 C ATOM 1663 CZ TYR A 110 -6.222 -4.751 -4.130 1.00 53.50 C ATOM 1664 OH TYR A 110 -5.817 -3.453 -4.348 1.00 75.53 O ATOM 0 H TYR A 110 -9.209 -9.627 -1.896 1.00 41.41 H new ATOM 0 HA TYR A 110 -9.358 -8.153 -4.283 1.00 31.52 H new ATOM 0 HB2 TYR A 110 -7.396 -9.025 -2.388 1.00 54.51 H new ATOM 0 HB3 TYR A 110 -6.813 -9.474 -3.978 1.00 54.51 H new ATOM 0 HD1 TYR A 110 -8.614 -6.497 -2.537 1.00 31.14 H new ATOM 0 HD2 TYR A 110 -5.361 -7.910 -4.899 1.00 53.30 H new ATOM 0 HE1 TYR A 110 -7.895 -4.183 -2.927 1.00 45.43 H new ATOM 0 HE2 TYR A 110 -4.635 -5.595 -5.287 1.00 60.23 H new ATOM 0 HH TYR A 110 -5.014 -3.451 -4.910 1.00 75.53 H new ATOM 1674 N SER A 111 -8.622 -11.359 -4.653 1.00 14.25 N ATOM 1675 CA SER A 111 -8.588 -12.449 -5.622 1.00 13.14 C ATOM 1676 C SER A 111 -9.985 -12.743 -6.158 1.00 61.43 C ATOM 1677 O SER A 111 -10.170 -12.966 -7.354 1.00 53.41 O ATOM 1678 CB SER A 111 -7.997 -13.708 -4.985 1.00 34.31 C ATOM 1679 OG SER A 111 -8.677 -14.870 -5.428 1.00 51.41 O ATOM 0 H SER A 111 -8.396 -11.636 -3.698 1.00 14.25 H new ATOM 0 HA SER A 111 -7.956 -12.142 -6.455 1.00 13.14 H new ATOM 0 HB2 SER A 111 -6.939 -13.784 -5.236 1.00 34.31 H new ATOM 0 HB3 SER A 111 -8.063 -13.636 -3.899 1.00 34.31 H new ATOM 0 HG SER A 111 -8.280 -15.661 -5.008 1.00 51.41 H new ATOM 1685 N GLN A 112 -10.967 -12.743 -5.261 1.00 3.23 N ATOM 1686 CA GLN A 112 -12.349 -13.011 -5.643 1.00 4.03 C ATOM 1687 C GLN A 112 -12.839 -11.990 -6.664 1.00 32.32 C ATOM 1688 O GLN A 112 -13.583 -12.328 -7.586 1.00 43.31 O ATOM 1689 CB GLN A 112 -13.255 -12.990 -4.410 1.00 53.45 C ATOM 1690 CG GLN A 112 -13.262 -14.301 -3.640 1.00 51.15 C ATOM 1691 CD GLN A 112 -14.123 -15.360 -4.299 1.00 32.31 C ATOM 1692 OE1 GLN A 112 -13.885 -15.747 -5.444 1.00 43.54 O ATOM 1693 NE2 GLN A 112 -15.132 -15.837 -3.579 1.00 15.41 N ATOM 0 H GLN A 112 -10.831 -12.561 -4.267 1.00 3.23 H new ATOM 0 HA GLN A 112 -12.388 -14.001 -6.097 1.00 4.03 H new ATOM 0 HB2 GLN A 112 -12.932 -12.189 -3.745 1.00 53.45 H new ATOM 0 HB3 GLN A 112 -14.273 -12.755 -4.721 1.00 53.45 H new ATOM 0 HG2 GLN A 112 -12.241 -14.672 -3.552 1.00 51.15 H new ATOM 0 HG3 GLN A 112 -13.624 -14.122 -2.628 1.00 51.15 H new ATOM 0 HE21 GLN A 112 -15.294 -15.489 -2.634 1.00 15.41 H new ATOM 0 HE22 GLN A 112 -15.745 -16.552 -3.971 1.00 15.41 H new ATOM 1702 N MET A 113 -12.419 -10.741 -6.494 1.00 12.14 N ATOM 1703 CA MET A 113 -12.815 -9.671 -7.403 1.00 23.43 C ATOM 1704 C MET A 113 -12.085 -9.794 -8.738 1.00 4.20 C ATOM 1705 O MET A 113 -12.540 -9.271 -9.754 1.00 10.13 O ATOM 1706 CB MET A 113 -12.528 -8.307 -6.775 1.00 50.44 C ATOM 1707 CG MET A 113 -13.478 -7.947 -5.643 1.00 0.21 C ATOM 1708 SD MET A 113 -12.837 -6.631 -4.591 1.00 51.54 S ATOM 1709 CE MET A 113 -13.813 -5.239 -5.154 1.00 73.10 C ATOM 0 H MET A 113 -11.805 -10.445 -5.736 1.00 12.14 H new ATOM 0 HA MET A 113 -13.886 -9.760 -7.585 1.00 23.43 H new ATOM 0 HB2 MET A 113 -11.506 -8.298 -6.397 1.00 50.44 H new ATOM 0 HB3 MET A 113 -12.589 -7.540 -7.547 1.00 50.44 H new ATOM 0 HG2 MET A 113 -14.436 -7.638 -6.062 1.00 0.21 H new ATOM 0 HG3 MET A 113 -13.666 -8.833 -5.036 1.00 0.21 H new ATOM 0 HE1 MET A 113 -13.531 -4.347 -4.595 1.00 73.10 H new ATOM 0 HE2 MET A 113 -13.633 -5.074 -6.216 1.00 73.10 H new ATOM 0 HE3 MET A 113 -14.871 -5.448 -4.994 1.00 73.10 H new