USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 815 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 14 LYS NZ :NH3+ -141:sc= 0.356 (180deg=0) USER MOD Set 1.2: A 64 GLN : amide:sc= 0.26 K(o=0.62,f=-0.69) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= -0.0027 (180deg=-0.153) USER MOD Single : A 4 SER OG : rot 105:sc= 1.22 USER MOD Single : A 9 THR OG1 : rot 74:sc= 0.179 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 52:sc= 0.00887 USER MOD Single : A 40 SER OG : rot 47:sc= 0.0545 USER MOD Single : A 45 CYS SG : rot 180:sc= -1.51 USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 150:sc= -0.817 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -1.08 K(o=-1.1,f=-5.6!) USER MOD Single : A 59 SER OG : rot -55:sc= 0.0586 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -169:sc= -2.27! (180deg=-2.54!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0.0408 USER MOD Single : A 86 CYS SG : rot 180:sc= -0.369 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.0074) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.0267 K(o=-0.027,f=-0.98) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.0383 USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.615 0.355 -0.687 1.00 20.34 N ATOM 2 CA MET A 1 4.431 0.048 -1.856 1.00 12.51 C ATOM 3 C MET A 1 3.585 -0.580 -2.959 1.00 43.43 C ATOM 4 O MET A 1 4.047 -1.466 -3.679 1.00 13.11 O ATOM 5 CB MET A 1 5.574 -0.894 -1.474 1.00 71.03 C ATOM 6 CG MET A 1 5.104 -2.266 -1.017 1.00 52.54 C ATOM 7 SD MET A 1 5.318 -2.518 0.755 1.00 35.11 S ATOM 8 CE MET A 1 6.460 -3.897 0.765 1.00 24.22 C ATOM 0 H1 MET A 1 4.233 0.588 0.116 1.00 20.34 H new ATOM 0 H2 MET A 1 2.999 1.166 -0.897 1.00 20.34 H new ATOM 0 H3 MET A 1 3.030 -0.470 -0.445 1.00 20.34 H new ATOM 0 HA MET A 1 4.850 0.982 -2.231 1.00 12.51 H new ATOM 0 HB2 MET A 1 6.238 -1.013 -2.331 1.00 71.03 H new ATOM 0 HB3 MET A 1 6.161 -0.436 -0.678 1.00 71.03 H new ATOM 0 HG2 MET A 1 4.052 -2.389 -1.273 1.00 52.54 H new ATOM 0 HG3 MET A 1 5.656 -3.034 -1.559 1.00 52.54 H new ATOM 0 HE1 MET A 1 6.690 -4.171 1.794 1.00 24.22 H new ATOM 0 HE2 MET A 1 6.008 -4.748 0.255 1.00 24.22 H new ATOM 0 HE3 MET A 1 7.378 -3.613 0.251 1.00 24.22 H new ATOM 18 N ILE A 2 2.347 -0.115 -3.086 1.00 72.34 N ATOM 19 CA ILE A 2 1.438 -0.632 -4.103 1.00 5.43 C ATOM 20 C ILE A 2 0.952 0.483 -5.023 1.00 24.01 C ATOM 21 O ILE A 2 -0.198 0.917 -4.959 1.00 1.30 O ATOM 22 CB ILE A 2 0.219 -1.326 -3.468 1.00 3.04 C ATOM 23 CG1 ILE A 2 -0.396 -0.436 -2.386 1.00 10.31 C ATOM 24 CG2 ILE A 2 0.620 -2.674 -2.887 1.00 44.20 C ATOM 25 CD1 ILE A 2 -1.888 -0.241 -2.540 1.00 51.24 C ATOM 0 H ILE A 2 1.950 0.618 -2.498 1.00 72.34 H new ATOM 0 HA ILE A 2 1.999 -1.363 -4.686 1.00 5.43 H new ATOM 0 HB ILE A 2 -0.529 -1.494 -4.243 1.00 3.04 H new ATOM 0 HG12 ILE A 2 -0.194 -0.874 -1.409 1.00 10.31 H new ATOM 0 HG13 ILE A 2 0.094 0.538 -2.406 1.00 10.31 H new ATOM 0 HG21 ILE A 2 -0.252 -3.152 -2.442 1.00 44.20 H new ATOM 0 HG22 ILE A 2 1.017 -3.308 -3.680 1.00 44.20 H new ATOM 0 HG23 ILE A 2 1.383 -2.528 -2.123 1.00 44.20 H new ATOM 0 HD11 ILE A 2 -2.256 0.400 -1.739 1.00 51.24 H new ATOM 0 HD12 ILE A 2 -2.097 0.226 -3.503 1.00 51.24 H new ATOM 0 HD13 ILE A 2 -2.388 -1.208 -2.489 1.00 51.24 H new ATOM 37 N PRO A 3 1.848 0.957 -5.902 1.00 13.43 N ATOM 38 CA PRO A 3 1.532 2.026 -6.854 1.00 43.03 C ATOM 39 C PRO A 3 0.564 1.568 -7.939 1.00 54.23 C ATOM 40 O PRO A 3 0.673 0.455 -8.453 1.00 31.33 O ATOM 41 CB PRO A 3 2.893 2.371 -7.464 1.00 5.13 C ATOM 42 CG PRO A 3 3.703 1.130 -7.310 1.00 72.24 C ATOM 43 CD PRO A 3 3.237 0.487 -6.034 1.00 33.44 C ATOM 0 HA PRO A 3 1.039 2.870 -6.371 1.00 43.03 H new ATOM 0 HB2 PRO A 3 2.797 2.653 -8.512 1.00 5.13 H new ATOM 0 HB3 PRO A 3 3.356 3.212 -6.949 1.00 5.13 H new ATOM 0 HG2 PRO A 3 3.559 0.462 -8.159 1.00 72.24 H new ATOM 0 HG3 PRO A 3 4.767 1.362 -7.264 1.00 72.24 H new ATOM 0 HD2 PRO A 3 3.290 -0.600 -6.090 1.00 33.44 H new ATOM 0 HD3 PRO A 3 3.847 0.793 -5.184 1.00 33.44 H new ATOM 51 N SER A 4 -0.384 2.434 -8.284 1.00 42.32 N ATOM 52 CA SER A 4 -1.374 2.117 -9.306 1.00 52.04 C ATOM 53 C SER A 4 -2.241 0.938 -8.875 1.00 71.25 C ATOM 54 O SER A 4 -2.694 0.149 -9.706 1.00 1.35 O ATOM 55 CB SER A 4 -0.684 1.799 -10.634 1.00 62.21 C ATOM 56 OG SER A 4 -1.290 2.501 -11.705 1.00 71.13 O ATOM 0 H SER A 4 -0.487 3.361 -7.870 1.00 42.32 H new ATOM 0 HA SER A 4 -2.015 2.988 -9.438 1.00 52.04 H new ATOM 0 HB2 SER A 4 0.371 2.065 -10.572 1.00 62.21 H new ATOM 0 HB3 SER A 4 -0.732 0.727 -10.825 1.00 62.21 H new ATOM 0 HG SER A 4 -0.713 3.245 -11.977 1.00 71.13 H new ATOM 62 N PHE A 5 -2.468 0.824 -7.571 1.00 61.01 N ATOM 63 CA PHE A 5 -3.280 -0.259 -7.028 1.00 5.01 C ATOM 64 C PHE A 5 -2.840 -1.606 -7.595 1.00 45.50 C ATOM 65 O PHE A 5 -3.411 -2.098 -8.567 1.00 34.52 O ATOM 66 CB PHE A 5 -4.759 -0.021 -7.338 1.00 61.11 C ATOM 67 CG PHE A 5 -5.553 0.442 -6.151 1.00 13.44 C ATOM 68 CD1 PHE A 5 -6.286 1.617 -6.206 1.00 72.14 C ATOM 69 CD2 PHE A 5 -5.567 -0.296 -4.978 1.00 63.24 C ATOM 70 CE1 PHE A 5 -7.019 2.046 -5.116 1.00 3.13 C ATOM 71 CE2 PHE A 5 -6.298 0.128 -3.885 1.00 25.33 C ATOM 72 CZ PHE A 5 -7.023 1.301 -3.953 1.00 34.11 C ATOM 0 H PHE A 5 -2.101 1.468 -6.870 1.00 61.01 H new ATOM 0 HA PHE A 5 -3.141 -0.277 -5.947 1.00 5.01 H new ATOM 0 HB2 PHE A 5 -4.841 0.722 -8.132 1.00 61.11 H new ATOM 0 HB3 PHE A 5 -5.195 -0.944 -7.719 1.00 61.11 H new ATOM 0 HD1 PHE A 5 -6.284 2.205 -7.112 1.00 72.14 H new ATOM 0 HD2 PHE A 5 -5.000 -1.213 -4.918 1.00 63.24 H new ATOM 0 HE1 PHE A 5 -7.588 2.962 -5.173 1.00 3.13 H new ATOM 0 HE2 PHE A 5 -6.302 -0.458 -2.978 1.00 25.33 H new ATOM 0 HZ PHE A 5 -7.592 1.635 -3.098 1.00 34.11 H new ATOM 82 N ALA A 6 -1.819 -2.194 -6.981 1.00 22.54 N ATOM 83 CA ALA A 6 -1.302 -3.484 -7.422 1.00 53.03 C ATOM 84 C ALA A 6 -0.716 -3.389 -8.827 1.00 2.54 C ATOM 85 O ALA A 6 -1.359 -3.733 -9.819 1.00 4.14 O ATOM 86 CB ALA A 6 -2.401 -4.536 -7.377 1.00 43.13 C ATOM 0 H ALA A 6 -1.333 -1.798 -6.176 1.00 22.54 H new ATOM 0 HA ALA A 6 -0.503 -3.779 -6.742 1.00 53.03 H new ATOM 0 HB1 ALA A 6 -2.001 -5.494 -7.709 1.00 43.13 H new ATOM 0 HB2 ALA A 6 -2.772 -4.631 -6.356 1.00 43.13 H new ATOM 0 HB3 ALA A 6 -3.218 -4.237 -8.033 1.00 43.13 H new ATOM 92 N PRO A 7 0.534 -2.909 -8.916 1.00 32.44 N ATOM 93 CA PRO A 7 1.234 -2.757 -10.194 1.00 62.44 C ATOM 94 C PRO A 7 1.600 -4.100 -10.818 1.00 52.12 C ATOM 95 O PRO A 7 2.147 -4.977 -10.151 1.00 72.01 O ATOM 96 CB PRO A 7 2.498 -1.981 -9.816 1.00 64.44 C ATOM 97 CG PRO A 7 2.725 -2.303 -8.379 1.00 52.05 C ATOM 98 CD PRO A 7 1.360 -2.480 -7.775 1.00 15.44 C ATOM 0 HA PRO A 7 0.617 -2.256 -10.940 1.00 62.44 H new ATOM 0 HB2 PRO A 7 3.347 -2.285 -10.429 1.00 64.44 H new ATOM 0 HB3 PRO A 7 2.364 -0.910 -9.965 1.00 64.44 H new ATOM 0 HG2 PRO A 7 3.320 -3.210 -8.271 1.00 52.05 H new ATOM 0 HG3 PRO A 7 3.271 -1.502 -7.881 1.00 52.05 H new ATOM 0 HD2 PRO A 7 1.366 -3.226 -6.980 1.00 15.44 H new ATOM 0 HD3 PRO A 7 0.991 -1.552 -7.338 1.00 15.44 H new ATOM 106 N GLY A 8 1.294 -4.253 -12.103 1.00 61.32 N ATOM 107 CA GLY A 8 1.598 -5.492 -12.795 1.00 45.03 C ATOM 108 C GLY A 8 0.351 -6.226 -13.245 1.00 61.24 C ATOM 109 O GLY A 8 0.390 -7.428 -13.513 1.00 45.43 O ATOM 0 H GLY A 8 0.841 -3.541 -12.677 1.00 61.32 H new ATOM 0 HA2 GLY A 8 2.222 -5.276 -13.662 1.00 45.03 H new ATOM 0 HA3 GLY A 8 2.179 -6.139 -12.137 1.00 45.03 H new ATOM 113 N THR A 9 -0.762 -5.504 -13.328 1.00 1.31 N ATOM 114 CA THR A 9 -2.027 -6.094 -13.746 1.00 32.04 C ATOM 115 C THR A 9 -2.242 -5.930 -15.246 1.00 23.11 C ATOM 116 O THR A 9 -2.055 -4.843 -15.795 1.00 64.52 O ATOM 117 CB THR A 9 -3.216 -5.463 -12.997 1.00 0.15 C ATOM 118 OG1 THR A 9 -2.827 -5.118 -11.662 1.00 42.45 O ATOM 119 CG2 THR A 9 -4.398 -6.419 -12.954 1.00 31.51 C ATOM 0 H THR A 9 -0.813 -4.509 -13.111 1.00 1.31 H new ATOM 0 HA THR A 9 -1.975 -7.155 -13.503 1.00 32.04 H new ATOM 0 HB THR A 9 -3.517 -4.562 -13.532 1.00 0.15 H new ATOM 0 HG1 THR A 9 -2.246 -4.329 -11.684 1.00 42.45 H new ATOM 0 HG21 THR A 9 -5.225 -5.951 -12.420 1.00 31.51 H new ATOM 0 HG22 THR A 9 -4.711 -6.657 -13.971 1.00 31.51 H new ATOM 0 HG23 THR A 9 -4.107 -7.335 -12.440 1.00 31.51 H new ATOM 127 N LEU A 10 -2.636 -7.014 -15.904 1.00 62.43 N ATOM 128 CA LEU A 10 -2.877 -6.991 -17.343 1.00 10.51 C ATOM 129 C LEU A 10 -4.347 -6.716 -17.644 1.00 41.01 C ATOM 130 O LEU A 10 -5.232 -7.434 -17.178 1.00 63.12 O ATOM 131 CB LEU A 10 -2.455 -8.319 -17.973 1.00 31.12 C ATOM 132 CG LEU A 10 -2.114 -8.277 -19.463 1.00 23.13 C ATOM 133 CD1 LEU A 10 -1.509 -9.599 -19.909 1.00 61.12 C ATOM 134 CD2 LEU A 10 -3.352 -7.950 -20.285 1.00 31.45 C ATOM 0 H LEU A 10 -2.796 -7.920 -15.464 1.00 62.43 H new ATOM 0 HA LEU A 10 -2.280 -6.187 -17.773 1.00 10.51 H new ATOM 0 HB2 LEU A 10 -1.586 -8.695 -17.432 1.00 31.12 H new ATOM 0 HB3 LEU A 10 -3.259 -9.040 -17.825 1.00 31.12 H new ATOM 0 HG LEU A 10 -1.377 -7.490 -19.626 1.00 23.13 H new ATOM 0 HD11 LEU A 10 -1.273 -9.551 -20.972 1.00 61.12 H new ATOM 0 HD12 LEU A 10 -0.598 -9.791 -19.343 1.00 61.12 H new ATOM 0 HD13 LEU A 10 -2.223 -10.404 -19.732 1.00 61.12 H new ATOM 0 HD21 LEU A 10 -3.090 -7.924 -21.343 1.00 31.45 H new ATOM 0 HD22 LEU A 10 -4.112 -8.713 -20.118 1.00 31.45 H new ATOM 0 HD23 LEU A 10 -3.742 -6.978 -19.984 1.00 31.45 H new ATOM 146 N VAL A 11 -4.600 -5.673 -18.428 1.00 52.21 N ATOM 147 CA VAL A 11 -5.963 -5.305 -18.795 1.00 24.12 C ATOM 148 C VAL A 11 -6.082 -5.066 -20.296 1.00 12.13 C ATOM 149 O VAL A 11 -5.117 -5.236 -21.040 1.00 43.43 O ATOM 150 CB VAL A 11 -6.423 -4.040 -18.046 1.00 73.32 C ATOM 151 CG1 VAL A 11 -6.670 -4.349 -16.577 1.00 42.14 C ATOM 152 CG2 VAL A 11 -5.398 -2.927 -18.201 1.00 32.01 C ATOM 0 H VAL A 11 -3.879 -5.068 -18.821 1.00 52.21 H new ATOM 0 HA VAL A 11 -6.604 -6.139 -18.511 1.00 24.12 H new ATOM 0 HB VAL A 11 -7.362 -3.701 -18.483 1.00 73.32 H new ATOM 0 HG11 VAL A 11 -6.994 -3.443 -16.064 1.00 42.14 H new ATOM 0 HG12 VAL A 11 -7.444 -5.112 -16.491 1.00 42.14 H new ATOM 0 HG13 VAL A 11 -5.749 -4.714 -16.122 1.00 42.14 H new ATOM 0 HG21 VAL A 11 -5.739 -2.041 -17.666 1.00 32.01 H new ATOM 0 HG22 VAL A 11 -4.442 -3.253 -17.791 1.00 32.01 H new ATOM 0 HG23 VAL A 11 -5.277 -2.688 -19.258 1.00 32.01 H new ATOM 162 N TRP A 12 -7.272 -4.671 -20.733 1.00 13.21 N ATOM 163 CA TRP A 12 -7.518 -4.407 -22.146 1.00 73.53 C ATOM 164 C TRP A 12 -7.881 -2.944 -22.372 1.00 42.13 C ATOM 165 O TRP A 12 -8.711 -2.382 -21.656 1.00 41.15 O ATOM 166 CB TRP A 12 -8.639 -5.309 -22.667 1.00 25.52 C ATOM 167 CG TRP A 12 -8.141 -6.596 -23.253 1.00 33.21 C ATOM 168 CD1 TRP A 12 -7.000 -6.778 -23.981 1.00 32.22 C ATOM 169 CD2 TRP A 12 -8.770 -7.879 -23.162 1.00 15.01 C ATOM 170 NE1 TRP A 12 -6.882 -8.097 -24.348 1.00 32.11 N ATOM 171 CE2 TRP A 12 -7.955 -8.793 -23.857 1.00 61.21 C ATOM 172 CE3 TRP A 12 -9.942 -8.345 -22.559 1.00 50.22 C ATOM 173 CZ2 TRP A 12 -8.276 -10.144 -23.966 1.00 11.44 C ATOM 174 CZ3 TRP A 12 -10.260 -9.685 -22.668 1.00 64.31 C ATOM 175 CH2 TRP A 12 -9.429 -10.572 -23.366 1.00 71.21 C ATOM 0 H TRP A 12 -8.082 -4.526 -20.130 1.00 13.21 H new ATOM 0 HA TRP A 12 -6.601 -4.623 -22.695 1.00 73.53 H new ATOM 0 HB2 TRP A 12 -9.326 -5.531 -21.850 1.00 25.52 H new ATOM 0 HB3 TRP A 12 -9.208 -4.769 -23.424 1.00 25.52 H new ATOM 0 HD1 TRP A 12 -6.294 -6.000 -24.231 1.00 32.22 H new ATOM 0 HE1 TRP A 12 -6.119 -8.494 -24.897 1.00 32.11 H new ATOM 0 HE3 TRP A 12 -10.587 -7.669 -22.017 1.00 50.22 H new ATOM 0 HZ2 TRP A 12 -7.638 -10.829 -24.505 1.00 11.44 H new ATOM 0 HZ3 TRP A 12 -11.164 -10.055 -22.208 1.00 64.31 H new ATOM 0 HH2 TRP A 12 -9.704 -11.614 -23.432 1.00 71.21 H new ATOM 186 N LEU A 13 -7.255 -2.331 -23.371 1.00 24.21 N ATOM 187 CA LEU A 13 -7.512 -0.932 -23.691 1.00 51.54 C ATOM 188 C LEU A 13 -8.129 -0.795 -25.080 1.00 23.31 C ATOM 189 O LEU A 13 -7.500 -1.125 -26.086 1.00 21.23 O ATOM 190 CB LEU A 13 -6.215 -0.124 -23.615 1.00 54.43 C ATOM 191 CG LEU A 13 -6.363 1.348 -23.228 1.00 13.12 C ATOM 192 CD1 LEU A 13 -5.532 1.661 -21.994 1.00 4.43 C ATOM 193 CD2 LEU A 13 -5.961 2.248 -24.387 1.00 63.11 C ATOM 0 H LEU A 13 -6.566 -2.781 -23.973 1.00 24.21 H new ATOM 0 HA LEU A 13 -8.219 -0.542 -22.959 1.00 51.54 H new ATOM 0 HB2 LEU A 13 -5.553 -0.604 -22.894 1.00 54.43 H new ATOM 0 HB3 LEU A 13 -5.721 -0.176 -24.585 1.00 54.43 H new ATOM 0 HG LEU A 13 -7.410 1.539 -22.994 1.00 13.12 H new ATOM 0 HD11 LEU A 13 -5.650 2.713 -21.733 1.00 4.43 H new ATOM 0 HD12 LEU A 13 -5.868 1.041 -21.162 1.00 4.43 H new ATOM 0 HD13 LEU A 13 -4.482 1.454 -22.200 1.00 4.43 H new ATOM 0 HD21 LEU A 13 -6.073 3.292 -24.093 1.00 63.11 H new ATOM 0 HD22 LEU A 13 -4.922 2.056 -24.654 1.00 63.11 H new ATOM 0 HD23 LEU A 13 -6.600 2.043 -25.246 1.00 63.11 H new ATOM 205 N LYS A 14 -9.363 -0.305 -25.128 1.00 22.10 N ATOM 206 CA LYS A 14 -10.065 -0.121 -26.393 1.00 23.04 C ATOM 207 C LYS A 14 -10.134 1.356 -26.767 1.00 2.25 C ATOM 208 O LYS A 14 -10.683 2.168 -26.022 1.00 44.33 O ATOM 209 CB LYS A 14 -11.478 -0.703 -26.305 1.00 5.52 C ATOM 210 CG LYS A 14 -12.044 -1.129 -27.648 1.00 14.21 C ATOM 211 CD LYS A 14 -13.346 -1.896 -27.486 1.00 11.34 C ATOM 212 CE LYS A 14 -14.527 -0.956 -27.300 1.00 55.24 C ATOM 213 NZ LYS A 14 -15.752 -1.683 -26.865 1.00 2.15 N ATOM 0 H LYS A 14 -9.898 -0.028 -24.305 1.00 22.10 H new ATOM 0 HA LYS A 14 -9.509 -0.648 -27.169 1.00 23.04 H new ATOM 0 HB2 LYS A 14 -11.467 -1.563 -25.635 1.00 5.52 H new ATOM 0 HB3 LYS A 14 -12.141 0.039 -25.860 1.00 5.52 H new ATOM 0 HG2 LYS A 14 -12.214 -0.249 -28.268 1.00 14.21 H new ATOM 0 HG3 LYS A 14 -11.317 -1.751 -28.170 1.00 14.21 H new ATOM 0 HD2 LYS A 14 -13.512 -2.522 -28.363 1.00 11.34 H new ATOM 0 HD3 LYS A 14 -13.272 -2.563 -26.627 1.00 11.34 H new ATOM 0 HE2 LYS A 14 -14.274 -0.197 -26.560 1.00 55.24 H new ATOM 0 HE3 LYS A 14 -14.727 -0.435 -28.236 1.00 55.24 H new ATOM 0 HZ1 LYS A 14 -16.583 -1.280 -27.343 1.00 2.15 H new ATOM 0 HZ2 LYS A 14 -15.665 -2.689 -27.113 1.00 2.15 H new ATOM 0 HZ3 LYS A 14 -15.865 -1.588 -25.835 1.00 2.15 H new ATOM 227 N GLN A 15 -9.575 1.696 -27.924 1.00 33.23 N ATOM 228 CA GLN A 15 -9.575 3.076 -28.395 1.00 71.55 C ATOM 229 C GLN A 15 -10.949 3.469 -28.926 1.00 55.45 C ATOM 230 O GLN A 15 -11.886 2.670 -28.907 1.00 2.20 O ATOM 231 CB GLN A 15 -8.520 3.263 -29.487 1.00 54.33 C ATOM 232 CG GLN A 15 -7.473 4.311 -29.147 1.00 41.25 C ATOM 233 CD GLN A 15 -6.157 3.700 -28.709 1.00 64.02 C ATOM 234 OE1 GLN A 15 -6.079 3.044 -27.670 1.00 1.42 O ATOM 235 NE2 GLN A 15 -5.112 3.912 -29.502 1.00 34.43 N ATOM 0 H GLN A 15 -9.117 1.036 -28.552 1.00 33.23 H new ATOM 0 HA GLN A 15 -9.333 3.723 -27.551 1.00 71.55 H new ATOM 0 HB2 GLN A 15 -8.023 2.310 -29.668 1.00 54.33 H new ATOM 0 HB3 GLN A 15 -9.016 3.545 -30.416 1.00 54.33 H new ATOM 0 HG2 GLN A 15 -7.303 4.945 -30.017 1.00 41.25 H new ATOM 0 HG3 GLN A 15 -7.853 4.954 -28.353 1.00 41.25 H new ATOM 0 HE21 GLN A 15 -5.222 4.462 -30.354 1.00 34.43 H new ATOM 0 HE22 GLN A 15 -4.200 3.525 -29.259 1.00 34.43 H new ATOM 244 N ASP A 16 -11.063 4.705 -29.400 1.00 12.42 N ATOM 245 CA ASP A 16 -12.323 5.205 -29.937 1.00 54.51 C ATOM 246 C ASP A 16 -12.735 4.420 -31.178 1.00 63.04 C ATOM 247 O ASP A 16 -13.792 3.790 -31.204 1.00 71.03 O ATOM 248 CB ASP A 16 -12.204 6.692 -30.275 1.00 41.25 C ATOM 249 CG ASP A 16 -12.500 7.583 -29.085 1.00 34.32 C ATOM 250 OD1 ASP A 16 -13.679 7.655 -28.676 1.00 44.25 O ATOM 251 OD2 ASP A 16 -11.554 8.206 -28.561 1.00 11.33 O ATOM 0 H ASP A 16 -10.298 5.379 -29.423 1.00 12.42 H new ATOM 0 HA ASP A 16 -13.091 5.074 -29.175 1.00 54.51 H new ATOM 0 HB2 ASP A 16 -11.198 6.899 -30.639 1.00 41.25 H new ATOM 0 HB3 ASP A 16 -12.892 6.933 -31.086 1.00 41.25 H new ATOM 256 N ARG A 17 -11.893 4.463 -32.206 1.00 4.23 N ATOM 257 CA ARG A 17 -12.170 3.758 -33.451 1.00 62.50 C ATOM 258 C ARG A 17 -11.347 2.476 -33.545 1.00 4.23 C ATOM 259 O ARG A 17 -11.730 1.529 -34.231 1.00 64.50 O ATOM 260 CB ARG A 17 -11.869 4.658 -34.650 1.00 52.43 C ATOM 261 CG ARG A 17 -12.755 5.891 -34.723 1.00 52.23 C ATOM 262 CD ARG A 17 -13.074 6.264 -36.163 1.00 31.42 C ATOM 263 NE ARG A 17 -12.077 7.168 -36.728 1.00 5.21 N ATOM 264 CZ ARG A 17 -11.938 8.436 -36.355 1.00 34.42 C ATOM 265 NH1 ARG A 17 -12.730 8.945 -35.421 1.00 3.11 N ATOM 266 NH2 ARG A 17 -11.007 9.196 -36.916 1.00 21.12 N ATOM 0 H ARG A 17 -11.013 4.979 -32.201 1.00 4.23 H new ATOM 0 HA ARG A 17 -13.227 3.493 -33.461 1.00 62.50 H new ATOM 0 HB2 ARG A 17 -10.826 4.972 -34.605 1.00 52.43 H new ATOM 0 HB3 ARG A 17 -11.989 4.080 -35.566 1.00 52.43 H new ATOM 0 HG2 ARG A 17 -13.682 5.707 -34.180 1.00 52.23 H new ATOM 0 HG3 ARG A 17 -12.258 6.727 -34.231 1.00 52.23 H new ATOM 0 HD2 ARG A 17 -13.127 5.359 -36.768 1.00 31.42 H new ATOM 0 HD3 ARG A 17 -14.056 6.735 -36.206 1.00 31.42 H new ATOM 0 HE ARG A 17 -11.452 6.807 -37.449 1.00 5.21 H new ATOM 0 HH11 ARG A 17 -13.447 8.363 -34.988 1.00 3.11 H new ATOM 0 HH12 ARG A 17 -12.622 9.918 -35.136 1.00 3.11 H new ATOM 0 HH21 ARG A 17 -10.396 8.807 -37.635 1.00 21.12 H new ATOM 0 HH22 ARG A 17 -10.902 10.169 -36.629 1.00 21.12 H new ATOM 280 N PHE A 18 -10.214 2.455 -32.851 1.00 25.04 N ATOM 281 CA PHE A 18 -9.335 1.291 -32.857 1.00 11.05 C ATOM 282 C PHE A 18 -9.869 0.202 -31.931 1.00 74.43 C ATOM 283 O PHE A 18 -10.637 0.461 -31.004 1.00 61.32 O ATOM 284 CB PHE A 18 -7.921 1.690 -32.429 1.00 52.52 C ATOM 285 CG PHE A 18 -6.939 1.724 -33.565 1.00 23.22 C ATOM 286 CD1 PHE A 18 -7.263 2.343 -34.761 1.00 70.01 C ATOM 287 CD2 PHE A 18 -5.691 1.135 -33.436 1.00 41.31 C ATOM 288 CE1 PHE A 18 -6.361 2.376 -35.808 1.00 31.30 C ATOM 289 CE2 PHE A 18 -4.785 1.165 -34.479 1.00 43.32 C ATOM 290 CZ PHE A 18 -5.121 1.785 -35.667 1.00 44.10 C ATOM 0 H PHE A 18 -9.883 3.231 -32.277 1.00 25.04 H new ATOM 0 HA PHE A 18 -9.302 0.897 -33.873 1.00 11.05 H new ATOM 0 HB2 PHE A 18 -7.956 2.673 -31.960 1.00 52.52 H new ATOM 0 HB3 PHE A 18 -7.567 0.988 -31.674 1.00 52.52 H new ATOM 0 HD1 PHE A 18 -8.232 2.805 -34.877 1.00 70.01 H new ATOM 0 HD2 PHE A 18 -5.424 0.647 -32.510 1.00 41.31 H new ATOM 0 HE1 PHE A 18 -6.626 2.863 -36.735 1.00 31.30 H new ATOM 0 HE2 PHE A 18 -3.815 0.704 -34.366 1.00 43.32 H new ATOM 0 HZ PHE A 18 -4.415 1.807 -36.484 1.00 44.10 H new ATOM 300 N PRO A 19 -9.455 -1.048 -32.188 1.00 51.14 N ATOM 301 CA PRO A 19 -9.879 -2.202 -31.391 1.00 31.43 C ATOM 302 C PRO A 19 -9.282 -2.188 -29.988 1.00 20.33 C ATOM 303 O PRO A 19 -8.672 -1.203 -29.573 1.00 25.11 O ATOM 304 CB PRO A 19 -9.348 -3.397 -32.186 1.00 22.50 C ATOM 305 CG PRO A 19 -8.192 -2.857 -32.955 1.00 54.14 C ATOM 306 CD PRO A 19 -8.540 -1.430 -33.277 1.00 54.13 C ATOM 0 HA PRO A 19 -10.958 -2.219 -31.240 1.00 31.43 H new ATOM 0 HB2 PRO A 19 -9.040 -4.207 -31.525 1.00 22.50 H new ATOM 0 HB3 PRO A 19 -10.112 -3.801 -32.851 1.00 22.50 H new ATOM 0 HG2 PRO A 19 -7.274 -2.912 -32.370 1.00 54.14 H new ATOM 0 HG3 PRO A 19 -8.025 -3.433 -33.865 1.00 54.14 H new ATOM 0 HD2 PRO A 19 -7.654 -0.795 -33.299 1.00 54.13 H new ATOM 0 HD3 PRO A 19 -9.018 -1.343 -34.253 1.00 54.13 H new ATOM 314 N TRP A 20 -9.462 -3.286 -29.262 1.00 63.25 N ATOM 315 CA TRP A 20 -8.940 -3.399 -27.905 1.00 64.43 C ATOM 316 C TRP A 20 -7.683 -4.262 -27.876 1.00 4.12 C ATOM 317 O TRP A 20 -7.696 -5.410 -28.320 1.00 13.12 O ATOM 318 CB TRP A 20 -10.001 -3.991 -26.976 1.00 61.13 C ATOM 319 CG TRP A 20 -10.441 -5.367 -27.377 1.00 3.21 C ATOM 320 CD1 TRP A 20 -9.959 -6.552 -26.901 1.00 23.54 C ATOM 321 CD2 TRP A 20 -11.449 -5.698 -28.337 1.00 73.25 C ATOM 322 NE1 TRP A 20 -10.607 -7.601 -27.507 1.00 70.23 N ATOM 323 CE2 TRP A 20 -11.527 -7.104 -28.392 1.00 43.32 C ATOM 324 CE3 TRP A 20 -12.296 -4.945 -29.155 1.00 41.10 C ATOM 325 CZ2 TRP A 20 -12.416 -7.768 -29.233 1.00 1.21 C ATOM 326 CZ3 TRP A 20 -13.178 -5.605 -29.989 1.00 63.51 C ATOM 327 CH2 TRP A 20 -13.233 -7.005 -30.023 1.00 21.24 C ATOM 0 H TRP A 20 -9.965 -4.110 -29.590 1.00 63.25 H new ATOM 0 HA TRP A 20 -8.680 -2.399 -27.558 1.00 64.43 H new ATOM 0 HB2 TRP A 20 -9.606 -4.025 -25.961 1.00 61.13 H new ATOM 0 HB3 TRP A 20 -10.868 -3.331 -26.959 1.00 61.13 H new ATOM 0 HD1 TRP A 20 -9.182 -6.651 -26.157 1.00 23.54 H new ATOM 0 HE1 TRP A 20 -10.432 -8.590 -27.327 1.00 70.23 H new ATOM 0 HE3 TRP A 20 -12.262 -3.866 -29.136 1.00 41.10 H new ATOM 0 HZ2 TRP A 20 -12.459 -8.847 -29.261 1.00 1.21 H new ATOM 0 HZ3 TRP A 20 -13.836 -5.032 -30.626 1.00 63.51 H new ATOM 0 HH2 TRP A 20 -13.934 -7.491 -30.685 1.00 21.24 H new ATOM 338 N TRP A 21 -6.599 -3.702 -27.351 1.00 22.34 N ATOM 339 CA TRP A 21 -5.333 -4.422 -27.264 1.00 11.14 C ATOM 340 C TRP A 21 -4.901 -4.589 -25.811 1.00 62.21 C ATOM 341 O TRP A 21 -5.226 -3.777 -24.944 1.00 62.34 O ATOM 342 CB TRP A 21 -4.248 -3.684 -28.050 1.00 13.02 C ATOM 343 CG TRP A 21 -3.750 -4.451 -29.237 1.00 44.11 C ATOM 344 CD1 TRP A 21 -2.473 -4.884 -29.456 1.00 10.03 C ATOM 345 CD2 TRP A 21 -4.518 -4.873 -30.369 1.00 31.11 C ATOM 346 NE1 TRP A 21 -2.402 -5.550 -30.655 1.00 64.14 N ATOM 347 CE2 TRP A 21 -3.643 -5.558 -31.235 1.00 21.05 C ATOM 348 CE3 TRP A 21 -5.860 -4.741 -30.734 1.00 74.34 C ATOM 349 CZ2 TRP A 21 -4.068 -6.107 -32.441 1.00 54.44 C ATOM 350 CZ3 TRP A 21 -6.281 -5.286 -31.933 1.00 30.03 C ATOM 351 CH2 TRP A 21 -5.388 -5.962 -32.774 1.00 61.53 C ATOM 0 H TRP A 21 -6.571 -2.753 -26.979 1.00 22.34 H new ATOM 0 HA TRP A 21 -5.476 -5.412 -27.697 1.00 11.14 H new ATOM 0 HB2 TRP A 21 -4.641 -2.724 -28.385 1.00 13.02 H new ATOM 0 HB3 TRP A 21 -3.410 -3.471 -27.386 1.00 13.02 H new ATOM 0 HD1 TRP A 21 -1.642 -4.726 -28.785 1.00 10.03 H new ATOM 0 HE1 TRP A 21 -1.561 -5.971 -31.050 1.00 64.14 H new ATOM 0 HE3 TRP A 21 -6.556 -4.223 -30.091 1.00 74.34 H new ATOM 0 HZ2 TRP A 21 -3.381 -6.629 -33.091 1.00 54.44 H new ATOM 0 HZ3 TRP A 21 -7.316 -5.189 -32.226 1.00 30.03 H new ATOM 0 HH2 TRP A 21 -5.748 -6.377 -33.704 1.00 61.53 H new ATOM 362 N PRO A 22 -4.150 -5.666 -25.536 1.00 72.22 N ATOM 363 CA PRO A 22 -3.657 -5.964 -24.188 1.00 62.13 C ATOM 364 C PRO A 22 -2.585 -4.980 -23.732 1.00 54.45 C ATOM 365 O PRO A 22 -1.790 -4.496 -24.537 1.00 21.40 O ATOM 366 CB PRO A 22 -3.067 -7.369 -24.329 1.00 64.42 C ATOM 367 CG PRO A 22 -2.704 -7.485 -25.769 1.00 61.34 C ATOM 368 CD PRO A 22 -3.725 -6.676 -26.520 1.00 40.00 C ATOM 0 HA PRO A 22 -4.446 -5.891 -23.440 1.00 62.13 H new ATOM 0 HB2 PRO A 22 -2.194 -7.498 -23.689 1.00 64.42 H new ATOM 0 HB3 PRO A 22 -3.789 -8.132 -24.040 1.00 64.42 H new ATOM 0 HG2 PRO A 22 -1.698 -7.107 -25.949 1.00 61.34 H new ATOM 0 HG3 PRO A 22 -2.717 -8.526 -26.092 1.00 61.34 H new ATOM 0 HD2 PRO A 22 -3.297 -6.215 -27.410 1.00 40.00 H new ATOM 0 HD3 PRO A 22 -4.561 -7.292 -26.851 1.00 40.00 H new ATOM 376 N GLY A 23 -2.570 -4.687 -22.436 1.00 13.45 N ATOM 377 CA GLY A 23 -1.592 -3.761 -21.895 1.00 63.05 C ATOM 378 C GLY A 23 -1.401 -3.926 -20.401 1.00 11.33 C ATOM 379 O GLY A 23 -2.371 -4.067 -19.656 1.00 10.34 O ATOM 0 H GLY A 23 -3.218 -5.074 -21.750 1.00 13.45 H new ATOM 0 HA2 GLY A 23 -0.637 -3.911 -22.399 1.00 63.05 H new ATOM 0 HA3 GLY A 23 -1.908 -2.739 -22.107 1.00 63.05 H new ATOM 383 N PHE A 24 -0.147 -3.910 -19.960 1.00 53.34 N ATOM 384 CA PHE A 24 0.168 -4.061 -18.545 1.00 33.33 C ATOM 385 C PHE A 24 0.096 -2.718 -17.825 1.00 3.32 C ATOM 386 O PHE A 24 0.787 -1.767 -18.191 1.00 3.11 O ATOM 387 CB PHE A 24 1.560 -4.671 -18.373 1.00 23.42 C ATOM 388 CG PHE A 24 1.903 -5.689 -19.423 1.00 52.12 C ATOM 389 CD1 PHE A 24 2.933 -5.458 -20.320 1.00 62.22 C ATOM 390 CD2 PHE A 24 1.194 -6.876 -19.514 1.00 11.12 C ATOM 391 CE1 PHE A 24 3.251 -6.393 -21.288 1.00 3.42 C ATOM 392 CE2 PHE A 24 1.508 -7.814 -20.479 1.00 34.11 C ATOM 393 CZ PHE A 24 2.537 -7.572 -21.368 1.00 13.32 C ATOM 0 H PHE A 24 0.667 -3.794 -20.563 1.00 53.34 H new ATOM 0 HA PHE A 24 -0.571 -4.730 -18.103 1.00 33.33 H new ATOM 0 HB2 PHE A 24 2.303 -3.873 -18.395 1.00 23.42 H new ATOM 0 HB3 PHE A 24 1.624 -5.139 -17.390 1.00 23.42 H new ATOM 0 HD1 PHE A 24 3.494 -4.537 -20.263 1.00 62.22 H new ATOM 0 HD2 PHE A 24 0.387 -7.070 -18.823 1.00 11.12 H new ATOM 0 HE1 PHE A 24 4.057 -6.201 -21.981 1.00 3.42 H new ATOM 0 HE2 PHE A 24 0.949 -8.736 -20.538 1.00 34.11 H new ATOM 0 HZ PHE A 24 2.782 -8.303 -22.124 1.00 13.32 H new ATOM 403 N VAL A 25 -0.745 -2.647 -16.798 1.00 74.14 N ATOM 404 CA VAL A 25 -0.908 -1.421 -16.026 1.00 21.21 C ATOM 405 C VAL A 25 0.280 -1.195 -15.097 1.00 71.42 C ATOM 406 O VAL A 25 0.533 -1.990 -14.193 1.00 22.34 O ATOM 407 CB VAL A 25 -2.201 -1.452 -15.189 1.00 61.15 C ATOM 408 CG1 VAL A 25 -2.293 -0.219 -14.304 1.00 35.14 C ATOM 409 CG2 VAL A 25 -3.418 -1.561 -16.095 1.00 53.31 C ATOM 0 H VAL A 25 -1.324 -3.425 -16.481 1.00 74.14 H new ATOM 0 HA VAL A 25 -0.967 -0.601 -16.742 1.00 21.21 H new ATOM 0 HB VAL A 25 -2.176 -2.331 -14.545 1.00 61.15 H new ATOM 0 HG11 VAL A 25 -3.213 -0.258 -13.720 1.00 35.14 H new ATOM 0 HG12 VAL A 25 -1.436 -0.190 -13.630 1.00 35.14 H new ATOM 0 HG13 VAL A 25 -2.296 0.676 -14.926 1.00 35.14 H new ATOM 0 HG21 VAL A 25 -4.323 -1.582 -15.488 1.00 53.31 H new ATOM 0 HG22 VAL A 25 -3.450 -0.702 -16.766 1.00 53.31 H new ATOM 0 HG23 VAL A 25 -3.354 -2.477 -16.682 1.00 53.31 H new ATOM 419 N MET A 26 1.005 -0.106 -15.327 1.00 40.33 N ATOM 420 CA MET A 26 2.166 0.226 -14.510 1.00 20.15 C ATOM 421 C MET A 26 2.178 1.710 -14.159 1.00 41.51 C ATOM 422 O MET A 26 1.825 2.555 -14.982 1.00 60.04 O ATOM 423 CB MET A 26 3.456 -0.148 -15.242 1.00 41.41 C ATOM 424 CG MET A 26 3.495 -1.595 -15.704 1.00 24.42 C ATOM 425 SD MET A 26 4.940 -2.481 -15.089 1.00 65.40 S ATOM 426 CE MET A 26 4.951 -3.906 -16.174 1.00 60.24 C ATOM 0 H MET A 26 0.809 0.562 -16.073 1.00 40.33 H new ATOM 0 HA MET A 26 2.103 -0.347 -13.585 1.00 20.15 H new ATOM 0 HB2 MET A 26 3.575 0.504 -16.107 1.00 41.41 H new ATOM 0 HB3 MET A 26 4.305 0.038 -14.583 1.00 41.41 H new ATOM 0 HG2 MET A 26 2.591 -2.104 -15.369 1.00 24.42 H new ATOM 0 HG3 MET A 26 3.492 -1.625 -16.794 1.00 24.42 H new ATOM 0 HE1 MET A 26 5.791 -4.552 -15.918 1.00 60.24 H new ATOM 0 HE2 MET A 26 4.019 -4.459 -16.058 1.00 60.24 H new ATOM 0 HE3 MET A 26 5.050 -3.575 -17.208 1.00 60.24 H new ATOM 436 N ASP A 27 2.586 2.021 -12.934 1.00 12.14 N ATOM 437 CA ASP A 27 2.644 3.404 -12.475 1.00 3.21 C ATOM 438 C ASP A 27 3.940 4.072 -12.925 1.00 61.42 C ATOM 439 O ASP A 27 4.987 3.434 -13.043 1.00 51.42 O ATOM 440 CB ASP A 27 2.528 3.464 -10.951 1.00 62.20 C ATOM 441 CG ASP A 27 1.390 4.354 -10.492 1.00 3.05 C ATOM 442 OD1 ASP A 27 0.372 4.434 -11.210 1.00 34.20 O ATOM 443 OD2 ASP A 27 1.518 4.970 -9.413 1.00 51.21 O ATOM 0 H ASP A 27 2.882 1.334 -12.240 1.00 12.14 H new ATOM 0 HA ASP A 27 1.806 3.943 -12.917 1.00 3.21 H new ATOM 0 HB2 ASP A 27 2.378 2.457 -10.561 1.00 62.20 H new ATOM 0 HB3 ASP A 27 3.465 3.832 -10.532 1.00 62.20 H new ATOM 448 N PRO A 28 3.870 5.386 -13.184 1.00 61.22 N ATOM 449 CA PRO A 28 5.028 6.168 -13.626 1.00 43.23 C ATOM 450 C PRO A 28 6.066 6.341 -12.523 1.00 3.42 C ATOM 451 O PRO A 28 7.270 6.276 -12.774 1.00 32.33 O ATOM 452 CB PRO A 28 4.419 7.521 -14.004 1.00 62.35 C ATOM 453 CG PRO A 28 3.173 7.615 -13.193 1.00 42.14 C ATOM 454 CD PRO A 28 2.655 6.209 -13.065 1.00 2.31 C ATOM 0 HA PRO A 28 5.560 5.681 -14.443 1.00 43.23 H new ATOM 0 HB2 PRO A 28 5.102 8.340 -13.777 1.00 62.35 H new ATOM 0 HB3 PRO A 28 4.202 7.573 -15.071 1.00 62.35 H new ATOM 0 HG2 PRO A 28 3.377 8.046 -12.213 1.00 42.14 H new ATOM 0 HG3 PRO A 28 2.439 8.259 -13.678 1.00 42.14 H new ATOM 0 HD2 PRO A 28 2.154 6.051 -12.110 1.00 2.31 H new ATOM 0 HD3 PRO A 28 1.932 5.974 -13.847 1.00 2.31 H new ATOM 462 N ASP A 29 5.593 6.562 -11.301 1.00 41.23 N ATOM 463 CA ASP A 29 6.481 6.743 -10.159 1.00 12.24 C ATOM 464 C ASP A 29 5.681 6.920 -8.872 1.00 32.43 C ATOM 465 O ASP A 29 5.933 7.840 -8.095 1.00 12.01 O ATOM 466 CB ASP A 29 7.390 7.953 -10.379 1.00 11.34 C ATOM 467 CG ASP A 29 8.774 7.751 -9.795 1.00 65.11 C ATOM 468 OD1 ASP A 29 9.168 8.542 -8.912 1.00 60.30 O ATOM 469 OD2 ASP A 29 9.464 6.801 -10.221 1.00 2.21 O ATOM 0 H ASP A 29 4.600 6.620 -11.076 1.00 41.23 H new ATOM 0 HA ASP A 29 7.097 5.849 -10.063 1.00 12.24 H new ATOM 0 HB2 ASP A 29 7.475 8.150 -11.448 1.00 11.34 H new ATOM 0 HB3 ASP A 29 6.933 8.834 -9.928 1.00 11.34 H new ATOM 474 N GLU A 30 4.716 6.032 -8.654 1.00 73.43 N ATOM 475 CA GLU A 30 3.878 6.091 -7.462 1.00 51.43 C ATOM 476 C GLU A 30 3.051 7.374 -7.442 1.00 62.11 C ATOM 477 O GLU A 30 3.335 8.297 -6.678 1.00 74.41 O ATOM 478 CB GLU A 30 4.740 6.008 -6.201 1.00 63.41 C ATOM 479 CG GLU A 30 5.765 4.886 -6.238 1.00 10.32 C ATOM 480 CD GLU A 30 7.191 5.400 -6.265 1.00 4.25 C ATOM 481 OE1 GLU A 30 7.661 5.901 -5.221 1.00 34.21 O ATOM 482 OE2 GLU A 30 7.838 5.302 -7.328 1.00 41.31 O ATOM 0 H GLU A 30 4.495 5.263 -9.287 1.00 73.43 H new ATOM 0 HA GLU A 30 3.197 5.240 -7.485 1.00 51.43 H new ATOM 0 HB2 GLU A 30 5.257 6.957 -6.061 1.00 63.41 H new ATOM 0 HB3 GLU A 30 4.092 5.868 -5.336 1.00 63.41 H new ATOM 0 HG2 GLU A 30 5.630 4.246 -5.366 1.00 10.32 H new ATOM 0 HG3 GLU A 30 5.589 4.267 -7.118 1.00 10.32 H new ATOM 489 N VAL A 31 2.027 7.424 -8.288 1.00 42.22 N ATOM 490 CA VAL A 31 1.158 8.592 -8.368 1.00 42.31 C ATOM 491 C VAL A 31 -0.128 8.375 -7.580 1.00 14.03 C ATOM 492 O VAL A 31 -1.102 9.109 -7.747 1.00 54.10 O ATOM 493 CB VAL A 31 0.802 8.928 -9.829 1.00 30.05 C ATOM 494 CG1 VAL A 31 2.019 9.465 -10.565 1.00 43.43 C ATOM 495 CG2 VAL A 31 0.239 7.703 -10.534 1.00 41.41 C ATOM 0 H VAL A 31 1.779 6.669 -8.928 1.00 42.22 H new ATOM 0 HA VAL A 31 1.709 9.427 -7.935 1.00 42.31 H new ATOM 0 HB VAL A 31 0.036 9.704 -9.830 1.00 30.05 H new ATOM 0 HG11 VAL A 31 1.748 9.697 -11.595 1.00 43.43 H new ATOM 0 HG12 VAL A 31 2.373 10.370 -10.071 1.00 43.43 H new ATOM 0 HG13 VAL A 31 2.809 8.714 -10.558 1.00 43.43 H new ATOM 0 HG21 VAL A 31 -0.007 7.958 -11.565 1.00 41.41 H new ATOM 0 HG22 VAL A 31 0.981 6.905 -10.525 1.00 41.41 H new ATOM 0 HG23 VAL A 31 -0.661 7.368 -10.018 1.00 41.41 H new ATOM 505 N ARG A 32 -0.125 7.362 -6.719 1.00 43.23 N ATOM 506 CA ARG A 32 -1.292 7.047 -5.905 1.00 12.43 C ATOM 507 C ARG A 32 -1.322 7.905 -4.643 1.00 24.54 C ATOM 508 O ARG A 32 -2.389 8.305 -4.177 1.00 24.11 O ATOM 509 CB ARG A 32 -1.293 5.565 -5.527 1.00 63.14 C ATOM 510 CG ARG A 32 -2.255 5.223 -4.401 1.00 44.32 C ATOM 511 CD ARG A 32 -3.685 5.596 -4.758 1.00 71.43 C ATOM 512 NE ARG A 32 -4.598 5.402 -3.635 1.00 3.33 N ATOM 513 CZ ARG A 32 -5.919 5.490 -3.738 1.00 12.23 C ATOM 514 NH1 ARG A 32 -6.479 5.766 -4.907 1.00 54.32 N ATOM 515 NH2 ARG A 32 -6.683 5.301 -2.669 1.00 52.24 N ATOM 0 H ARG A 32 0.673 6.746 -6.568 1.00 43.23 H new ATOM 0 HA ARG A 32 -2.183 7.265 -6.494 1.00 12.43 H new ATOM 0 HB2 ARG A 32 -1.552 4.975 -6.406 1.00 63.14 H new ATOM 0 HB3 ARG A 32 -0.285 5.273 -5.233 1.00 63.14 H new ATOM 0 HG2 ARG A 32 -2.199 4.156 -4.185 1.00 44.32 H new ATOM 0 HG3 ARG A 32 -1.956 5.748 -3.494 1.00 44.32 H new ATOM 0 HD2 ARG A 32 -3.719 6.638 -5.077 1.00 71.43 H new ATOM 0 HD3 ARG A 32 -4.017 4.993 -5.603 1.00 71.43 H new ATOM 0 HE ARG A 32 -4.199 5.187 -2.721 1.00 3.33 H new ATOM 0 HH11 ARG A 32 -5.895 5.911 -5.731 1.00 54.32 H new ATOM 0 HH12 ARG A 32 -7.494 5.833 -4.983 1.00 54.32 H new ATOM 0 HH21 ARG A 32 -6.255 5.088 -1.768 1.00 52.24 H new ATOM 0 HH22 ARG A 32 -7.698 5.369 -2.749 1.00 52.24 H new ATOM 529 N ASP A 33 -0.144 8.181 -4.094 1.00 42.43 N ATOM 530 CA ASP A 33 -0.034 8.991 -2.887 1.00 10.25 C ATOM 531 C ASP A 33 0.460 10.396 -3.217 1.00 50.13 C ATOM 532 O ASP A 33 0.120 11.361 -2.532 1.00 40.33 O ATOM 533 CB ASP A 33 0.913 8.327 -1.886 1.00 35.24 C ATOM 534 CG ASP A 33 0.208 7.913 -0.609 1.00 14.43 C ATOM 535 OD1 ASP A 33 0.371 6.747 -0.191 1.00 55.43 O ATOM 536 OD2 ASP A 33 -0.506 8.756 -0.026 1.00 74.12 O ATOM 0 H ASP A 33 0.748 7.855 -4.466 1.00 42.43 H new ATOM 0 HA ASP A 33 -1.026 9.070 -2.441 1.00 10.25 H new ATOM 0 HB2 ASP A 33 1.368 7.450 -2.347 1.00 35.24 H new ATOM 0 HB3 ASP A 33 1.722 9.016 -1.644 1.00 35.24 H new ATOM 541 N ILE A 34 1.264 10.502 -4.270 1.00 10.53 N ATOM 542 CA ILE A 34 1.804 11.789 -4.691 1.00 4.14 C ATOM 543 C ILE A 34 1.195 12.235 -6.015 1.00 72.55 C ATOM 544 O ILE A 34 1.468 11.651 -7.065 1.00 55.02 O ATOM 545 CB ILE A 34 3.337 11.736 -4.836 1.00 32.24 C ATOM 546 CG1 ILE A 34 3.975 11.214 -3.547 1.00 0.35 C ATOM 547 CG2 ILE A 34 3.884 13.112 -5.185 1.00 71.30 C ATOM 548 CD1 ILE A 34 4.369 9.755 -3.614 1.00 55.34 C ATOM 0 H ILE A 34 1.556 9.713 -4.847 1.00 10.53 H new ATOM 0 HA ILE A 34 1.545 12.509 -3.914 1.00 4.14 H new ATOM 0 HB ILE A 34 3.587 11.051 -5.646 1.00 32.24 H new ATOM 0 HG12 ILE A 34 4.859 11.810 -3.322 1.00 0.35 H new ATOM 0 HG13 ILE A 34 3.276 11.356 -2.722 1.00 0.35 H new ATOM 0 HG21 ILE A 34 4.968 13.058 -5.284 1.00 71.30 H new ATOM 0 HG22 ILE A 34 3.450 13.448 -6.127 1.00 71.30 H new ATOM 0 HG23 ILE A 34 3.626 13.817 -4.395 1.00 71.30 H new ATOM 0 HD11 ILE A 34 4.814 9.454 -2.666 1.00 55.34 H new ATOM 0 HD12 ILE A 34 3.485 9.148 -3.808 1.00 55.34 H new ATOM 0 HD13 ILE A 34 5.092 9.610 -4.417 1.00 55.34 H new ATOM 560 N THR A 35 0.368 13.274 -5.961 1.00 3.55 N ATOM 561 CA THR A 35 -0.280 13.800 -7.156 1.00 21.44 C ATOM 562 C THR A 35 0.389 15.087 -7.623 1.00 41.02 C ATOM 563 O THR A 35 0.191 16.151 -7.035 1.00 23.24 O ATOM 564 CB THR A 35 -1.776 14.072 -6.910 1.00 21.23 C ATOM 565 OG1 THR A 35 -1.969 14.589 -5.589 1.00 1.44 O ATOM 566 CG2 THR A 35 -2.593 12.801 -7.086 1.00 53.14 C ATOM 0 H THR A 35 0.131 13.769 -5.101 1.00 3.55 H new ATOM 0 HA THR A 35 -0.179 13.040 -7.931 1.00 21.44 H new ATOM 0 HB THR A 35 -2.114 14.807 -7.641 1.00 21.23 H new ATOM 0 HG1 THR A 35 -1.367 15.349 -5.444 1.00 1.44 H new ATOM 0 HG21 THR A 35 -3.646 13.018 -6.907 1.00 53.14 H new ATOM 0 HG22 THR A 35 -2.467 12.425 -8.101 1.00 53.14 H new ATOM 0 HG23 THR A 35 -2.252 12.048 -6.376 1.00 53.14 H new ATOM 574 N LEU A 36 1.181 14.985 -8.685 1.00 30.21 N ATOM 575 CA LEU A 36 1.879 16.142 -9.233 1.00 4.52 C ATOM 576 C LEU A 36 1.394 16.453 -10.645 1.00 12.20 C ATOM 577 O LEU A 36 0.923 15.579 -11.373 1.00 20.45 O ATOM 578 CB LEU A 36 3.389 15.894 -9.243 1.00 52.33 C ATOM 579 CG LEU A 36 3.855 14.622 -9.952 1.00 31.13 C ATOM 580 CD1 LEU A 36 4.295 14.933 -11.374 1.00 0.43 C ATOM 581 CD2 LEU A 36 4.984 13.962 -9.174 1.00 64.03 C ATOM 0 H LEU A 36 1.356 14.112 -9.184 1.00 30.21 H new ATOM 0 HA LEU A 36 1.662 17.000 -8.597 1.00 4.52 H new ATOM 0 HB2 LEU A 36 3.874 16.748 -9.716 1.00 52.33 H new ATOM 0 HB3 LEU A 36 3.738 15.860 -8.211 1.00 52.33 H new ATOM 0 HG LEU A 36 3.017 13.927 -9.998 1.00 31.13 H new ATOM 0 HD11 LEU A 36 4.623 14.015 -11.862 1.00 0.43 H new ATOM 0 HD12 LEU A 36 3.459 15.360 -11.928 1.00 0.43 H new ATOM 0 HD13 LEU A 36 5.118 15.647 -11.352 1.00 0.43 H new ATOM 0 HD21 LEU A 36 5.303 13.058 -9.693 1.00 64.03 H new ATOM 0 HD22 LEU A 36 5.824 14.652 -9.096 1.00 64.03 H new ATOM 0 HD23 LEU A 36 4.634 13.702 -8.175 1.00 64.03 H new ATOM 593 N PRO A 37 1.512 17.728 -11.044 1.00 51.25 N ATOM 594 CA PRO A 37 1.093 18.183 -12.373 1.00 40.45 C ATOM 595 C PRO A 37 1.996 17.650 -13.480 1.00 44.22 C ATOM 596 O PRO A 37 3.221 17.730 -13.386 1.00 53.23 O ATOM 597 CB PRO A 37 1.206 19.707 -12.278 1.00 71.15 C ATOM 598 CG PRO A 37 2.224 19.946 -11.217 1.00 60.15 C ATOM 599 CD PRO A 37 2.064 18.823 -10.230 1.00 0.53 C ATOM 0 HA PRO A 37 0.093 17.831 -12.628 1.00 40.45 H new ATOM 0 HB2 PRO A 37 1.516 20.141 -13.229 1.00 71.15 H new ATOM 0 HB3 PRO A 37 0.249 20.159 -12.018 1.00 71.15 H new ATOM 0 HG2 PRO A 37 3.230 19.957 -11.637 1.00 60.15 H new ATOM 0 HG3 PRO A 37 2.068 20.912 -10.737 1.00 60.15 H new ATOM 0 HD2 PRO A 37 3.017 18.547 -9.778 1.00 0.53 H new ATOM 0 HD3 PRO A 37 1.393 19.096 -9.416 1.00 0.53 H new ATOM 607 N GLU A 38 1.384 17.107 -14.528 1.00 31.04 N ATOM 608 CA GLU A 38 2.135 16.561 -15.652 1.00 33.41 C ATOM 609 C GLU A 38 1.203 16.203 -16.806 1.00 52.33 C ATOM 610 O GLU A 38 1.251 16.818 -17.871 1.00 2.44 O ATOM 611 CB GLU A 38 2.921 15.323 -15.215 1.00 64.13 C ATOM 612 CG GLU A 38 3.775 14.723 -16.320 1.00 53.01 C ATOM 613 CD GLU A 38 4.808 13.746 -15.794 1.00 1.12 C ATOM 614 OE1 GLU A 38 4.442 12.886 -14.966 1.00 24.44 O ATOM 615 OE2 GLU A 38 5.982 13.842 -16.209 1.00 73.33 O ATOM 0 H GLU A 38 0.371 17.034 -14.622 1.00 31.04 H new ATOM 0 HA GLU A 38 2.833 17.324 -15.995 1.00 33.41 H new ATOM 0 HB2 GLU A 38 3.563 15.588 -14.375 1.00 64.13 H new ATOM 0 HB3 GLU A 38 2.222 14.567 -14.856 1.00 64.13 H new ATOM 0 HG2 GLU A 38 3.130 14.214 -17.036 1.00 53.01 H new ATOM 0 HG3 GLU A 38 4.280 15.524 -16.859 1.00 53.01 H new ATOM 622 N GLY A 39 0.355 15.203 -16.587 1.00 15.23 N ATOM 623 CA GLY A 39 -0.576 14.780 -17.617 1.00 10.12 C ATOM 624 C GLY A 39 -0.572 13.278 -17.820 1.00 73.01 C ATOM 625 O GLY A 39 -1.325 12.754 -18.641 1.00 70.00 O ATOM 0 H GLY A 39 0.296 14.678 -15.714 1.00 15.23 H new ATOM 0 HA2 GLY A 39 -1.581 15.105 -17.349 1.00 10.12 H new ATOM 0 HA3 GLY A 39 -0.322 15.271 -18.556 1.00 10.12 H new ATOM 629 N SER A 40 0.279 12.583 -17.072 1.00 14.23 N ATOM 630 CA SER A 40 0.381 11.132 -17.178 1.00 3.54 C ATOM 631 C SER A 40 0.457 10.491 -15.795 1.00 72.15 C ATOM 632 O SER A 40 1.484 10.564 -15.121 1.00 31.45 O ATOM 633 CB SER A 40 1.612 10.746 -18.000 1.00 22.12 C ATOM 634 OG SER A 40 2.732 11.538 -17.644 1.00 63.32 O ATOM 0 H SER A 40 0.908 13.001 -16.386 1.00 14.23 H new ATOM 0 HA SER A 40 -0.513 10.764 -17.681 1.00 3.54 H new ATOM 0 HB2 SER A 40 1.843 9.692 -17.842 1.00 22.12 H new ATOM 0 HB3 SER A 40 1.398 10.870 -19.062 1.00 22.12 H new ATOM 0 HG SER A 40 2.814 11.568 -16.668 1.00 63.32 H new ATOM 640 N ASP A 41 -0.638 9.863 -15.381 1.00 51.02 N ATOM 641 CA ASP A 41 -0.697 9.207 -14.080 1.00 53.01 C ATOM 642 C ASP A 41 -0.613 7.691 -14.231 1.00 41.44 C ATOM 643 O ASP A 41 -0.119 6.995 -13.345 1.00 23.04 O ATOM 644 CB ASP A 41 -1.987 9.588 -13.351 1.00 44.31 C ATOM 645 CG ASP A 41 -1.735 10.029 -11.923 1.00 13.35 C ATOM 646 OD1 ASP A 41 -0.832 10.865 -11.709 1.00 65.34 O ATOM 647 OD2 ASP A 41 -2.443 9.540 -11.018 1.00 21.32 O ATOM 0 H ASP A 41 -1.497 9.794 -15.927 1.00 51.02 H new ATOM 0 HA ASP A 41 0.157 9.544 -13.492 1.00 53.01 H new ATOM 0 HB2 ASP A 41 -2.484 10.392 -13.894 1.00 44.31 H new ATOM 0 HB3 ASP A 41 -2.666 8.736 -13.351 1.00 44.31 H new ATOM 652 N VAL A 42 -1.100 7.186 -15.361 1.00 2.45 N ATOM 653 CA VAL A 42 -1.080 5.753 -15.628 1.00 44.33 C ATOM 654 C VAL A 42 -0.281 5.441 -16.889 1.00 1.02 C ATOM 655 O VAL A 42 -0.386 6.145 -17.893 1.00 13.42 O ATOM 656 CB VAL A 42 -2.505 5.191 -15.785 1.00 11.43 C ATOM 657 CG1 VAL A 42 -2.470 3.677 -15.925 1.00 0.21 C ATOM 658 CG2 VAL A 42 -3.373 5.606 -14.606 1.00 60.01 C ATOM 0 H VAL A 42 -1.513 7.748 -16.105 1.00 2.45 H new ATOM 0 HA VAL A 42 -0.603 5.278 -14.771 1.00 44.33 H new ATOM 0 HB VAL A 42 -2.943 5.605 -16.693 1.00 11.43 H new ATOM 0 HG11 VAL A 42 -3.486 3.298 -16.035 1.00 0.21 H new ATOM 0 HG12 VAL A 42 -1.885 3.406 -16.804 1.00 0.21 H new ATOM 0 HG13 VAL A 42 -2.014 3.240 -15.037 1.00 0.21 H new ATOM 0 HG21 VAL A 42 -4.377 5.201 -14.733 1.00 60.01 H new ATOM 0 HG22 VAL A 42 -2.940 5.221 -13.682 1.00 60.01 H new ATOM 0 HG23 VAL A 42 -3.425 6.694 -14.557 1.00 60.01 H new ATOM 668 N TRP A 43 0.517 4.381 -16.829 1.00 51.02 N ATOM 669 CA TRP A 43 1.334 3.975 -17.967 1.00 71.40 C ATOM 670 C TRP A 43 0.989 2.556 -18.405 1.00 64.44 C ATOM 671 O TRP A 43 1.295 1.588 -17.708 1.00 14.45 O ATOM 672 CB TRP A 43 2.819 4.066 -17.613 1.00 62.11 C ATOM 673 CG TRP A 43 3.619 4.853 -18.607 1.00 23.25 C ATOM 674 CD1 TRP A 43 4.178 4.387 -19.762 1.00 71.43 C ATOM 675 CD2 TRP A 43 3.951 6.243 -18.531 1.00 3.45 C ATOM 676 NE1 TRP A 43 4.837 5.404 -20.409 1.00 63.24 N ATOM 677 CE2 TRP A 43 4.712 6.553 -19.675 1.00 4.13 C ATOM 678 CE3 TRP A 43 3.678 7.257 -17.609 1.00 2.43 C ATOM 679 CZ2 TRP A 43 5.203 7.833 -19.918 1.00 53.31 C ATOM 680 CZ3 TRP A 43 4.166 8.527 -17.851 1.00 53.45 C ATOM 681 CH2 TRP A 43 4.920 8.807 -18.999 1.00 22.23 C ATOM 0 H TRP A 43 0.616 3.788 -16.005 1.00 51.02 H new ATOM 0 HA TRP A 43 1.123 4.652 -18.795 1.00 71.40 H new ATOM 0 HB2 TRP A 43 2.923 4.524 -16.629 1.00 62.11 H new ATOM 0 HB3 TRP A 43 3.231 3.059 -17.541 1.00 62.11 H new ATOM 0 HD1 TRP A 43 4.112 3.369 -20.115 1.00 71.43 H new ATOM 0 HE1 TRP A 43 5.338 5.317 -21.293 1.00 63.24 H new ATOM 0 HE3 TRP A 43 3.096 7.052 -16.723 1.00 2.43 H new ATOM 0 HZ2 TRP A 43 5.787 8.050 -20.801 1.00 53.31 H new ATOM 0 HZ3 TRP A 43 3.963 9.317 -17.144 1.00 53.45 H new ATOM 0 HH2 TRP A 43 5.285 9.811 -19.161 1.00 22.23 H new ATOM 692 N VAL A 44 0.352 2.437 -19.566 1.00 11.51 N ATOM 693 CA VAL A 44 -0.033 1.136 -20.098 1.00 21.43 C ATOM 694 C VAL A 44 0.994 0.628 -21.104 1.00 32.22 C ATOM 695 O VAL A 44 1.203 1.237 -22.154 1.00 30.32 O ATOM 696 CB VAL A 44 -1.415 1.192 -20.775 1.00 41.33 C ATOM 697 CG1 VAL A 44 -1.784 -0.167 -21.350 1.00 40.45 C ATOM 698 CG2 VAL A 44 -2.472 1.668 -19.790 1.00 43.41 C ATOM 0 H VAL A 44 0.092 3.227 -20.156 1.00 11.51 H new ATOM 0 HA VAL A 44 -0.079 0.450 -19.252 1.00 21.43 H new ATOM 0 HB VAL A 44 -1.369 1.907 -21.597 1.00 41.33 H new ATOM 0 HG11 VAL A 44 -2.764 -0.108 -21.824 1.00 40.45 H new ATOM 0 HG12 VAL A 44 -1.040 -0.463 -22.090 1.00 40.45 H new ATOM 0 HG13 VAL A 44 -1.813 -0.905 -20.549 1.00 40.45 H new ATOM 0 HG21 VAL A 44 -3.442 1.702 -20.286 1.00 43.41 H new ATOM 0 HG22 VAL A 44 -2.519 0.980 -18.946 1.00 43.41 H new ATOM 0 HG23 VAL A 44 -2.213 2.664 -19.432 1.00 43.41 H new ATOM 708 N CYS A 45 1.631 -0.491 -20.777 1.00 2.24 N ATOM 709 CA CYS A 45 2.637 -1.081 -21.652 1.00 24.40 C ATOM 710 C CYS A 45 2.038 -2.210 -22.485 1.00 43.44 C ATOM 711 O CYS A 45 1.908 -3.341 -22.015 1.00 45.54 O ATOM 712 CB CYS A 45 3.814 -1.608 -20.829 1.00 35.53 C ATOM 713 SG CYS A 45 4.444 -0.435 -19.606 1.00 53.43 S ATOM 0 H CYS A 45 1.469 -1.008 -19.913 1.00 2.24 H new ATOM 0 HA CYS A 45 2.995 -0.305 -22.328 1.00 24.40 H new ATOM 0 HB2 CYS A 45 3.506 -2.520 -20.317 1.00 35.53 H new ATOM 0 HB3 CYS A 45 4.624 -1.880 -21.506 1.00 35.53 H new ATOM 0 HG CYS A 45 5.436 -0.973 -18.960 1.00 53.43 H new ATOM 719 N CYS A 46 1.674 -1.894 -23.723 1.00 74.11 N ATOM 720 CA CYS A 46 1.085 -2.881 -24.622 1.00 3.21 C ATOM 721 C CYS A 46 2.154 -3.818 -25.175 1.00 30.24 C ATOM 722 O CYS A 46 3.348 -3.622 -24.943 1.00 13.32 O ATOM 723 CB CYS A 46 0.357 -2.184 -25.772 1.00 11.31 C ATOM 724 SG CYS A 46 -1.084 -1.220 -25.257 1.00 4.11 S ATOM 0 H CYS A 46 1.776 -0.963 -24.127 1.00 74.11 H new ATOM 0 HA CYS A 46 0.368 -3.472 -24.053 1.00 3.21 H new ATOM 0 HB2 CYS A 46 1.057 -1.525 -26.285 1.00 11.31 H new ATOM 0 HB3 CYS A 46 0.039 -2.935 -26.495 1.00 11.31 H new ATOM 0 HG CYS A 46 -1.631 -0.667 -26.299 1.00 4.11 H new ATOM 730 N LEU A 47 1.718 -4.839 -25.905 1.00 11.41 N ATOM 731 CA LEU A 47 2.637 -5.809 -26.490 1.00 1.30 C ATOM 732 C LEU A 47 3.489 -5.164 -27.579 1.00 11.13 C ATOM 733 O LEU A 47 3.140 -4.126 -28.141 1.00 54.03 O ATOM 734 CB LEU A 47 1.860 -6.992 -27.069 1.00 20.44 C ATOM 735 CG LEU A 47 1.571 -6.937 -28.569 1.00 43.21 C ATOM 736 CD1 LEU A 47 0.850 -8.197 -29.021 1.00 14.11 C ATOM 737 CD2 LEU A 47 0.752 -5.700 -28.909 1.00 64.12 C ATOM 0 H LEU A 47 0.734 -5.016 -26.106 1.00 11.41 H new ATOM 0 HA LEU A 47 3.298 -6.167 -25.701 1.00 1.30 H new ATOM 0 HB2 LEU A 47 2.419 -7.904 -26.860 1.00 20.44 H new ATOM 0 HB3 LEU A 47 0.911 -7.071 -26.539 1.00 20.44 H new ATOM 0 HG LEU A 47 2.521 -6.877 -29.100 1.00 43.21 H new ATOM 0 HD11 LEU A 47 0.653 -8.139 -30.091 1.00 14.11 H new ATOM 0 HD12 LEU A 47 1.473 -9.067 -28.813 1.00 14.11 H new ATOM 0 HD13 LEU A 47 -0.093 -8.289 -28.483 1.00 14.11 H new ATOM 0 HD21 LEU A 47 0.556 -5.677 -29.981 1.00 64.12 H new ATOM 0 HD22 LEU A 47 -0.193 -5.729 -28.367 1.00 64.12 H new ATOM 0 HD23 LEU A 47 1.307 -4.806 -28.623 1.00 64.12 H new ATOM 749 N PRO A 48 4.633 -5.793 -27.886 1.00 30.14 N ATOM 750 CA PRO A 48 5.557 -5.300 -28.911 1.00 60.03 C ATOM 751 C PRO A 48 4.988 -5.439 -30.319 1.00 63.42 C ATOM 752 O PRO A 48 4.876 -6.546 -30.847 1.00 21.13 O ATOM 753 CB PRO A 48 6.787 -6.195 -28.740 1.00 60.14 C ATOM 754 CG PRO A 48 6.261 -7.449 -28.132 1.00 62.45 C ATOM 755 CD PRO A 48 5.112 -7.035 -27.255 1.00 44.44 C ATOM 0 HA PRO A 48 5.767 -4.237 -28.793 1.00 60.03 H new ATOM 0 HB2 PRO A 48 7.270 -6.391 -29.697 1.00 60.14 H new ATOM 0 HB3 PRO A 48 7.532 -5.726 -28.097 1.00 60.14 H new ATOM 0 HG2 PRO A 48 5.932 -8.148 -28.902 1.00 62.45 H new ATOM 0 HG3 PRO A 48 7.033 -7.954 -27.551 1.00 62.45 H new ATOM 0 HD2 PRO A 48 4.333 -7.797 -27.226 1.00 44.44 H new ATOM 0 HD3 PRO A 48 5.432 -6.866 -26.227 1.00 44.44 H new ATOM 763 N ARG A 49 4.631 -4.310 -30.923 1.00 24.43 N ATOM 764 CA ARG A 49 4.074 -4.307 -32.270 1.00 35.44 C ATOM 765 C ARG A 49 4.236 -2.938 -32.922 1.00 54.41 C ATOM 766 O ARG A 49 4.435 -2.835 -34.133 1.00 33.32 O ATOM 767 CB ARG A 49 2.594 -4.695 -32.233 1.00 0.33 C ATOM 768 CG ARG A 49 1.700 -3.627 -31.623 1.00 21.41 C ATOM 769 CD ARG A 49 1.138 -2.698 -32.686 1.00 55.55 C ATOM 770 NE ARG A 49 -0.201 -2.224 -32.347 1.00 14.55 N ATOM 771 CZ ARG A 49 -0.986 -1.568 -33.194 1.00 72.14 C ATOM 772 NH1 ARG A 49 -0.568 -1.311 -34.426 1.00 53.31 N ATOM 773 NH2 ARG A 49 -2.192 -1.169 -32.811 1.00 32.11 N ATOM 0 H ARG A 49 4.718 -3.386 -30.500 1.00 24.43 H new ATOM 0 HA ARG A 49 4.620 -5.040 -32.864 1.00 35.44 H new ATOM 0 HB2 ARG A 49 2.256 -4.903 -33.248 1.00 0.33 H new ATOM 0 HB3 ARG A 49 2.483 -5.618 -31.664 1.00 0.33 H new ATOM 0 HG2 ARG A 49 0.881 -4.102 -31.083 1.00 21.41 H new ATOM 0 HG3 ARG A 49 2.268 -3.048 -30.895 1.00 21.41 H new ATOM 0 HD2 ARG A 49 1.804 -1.844 -32.810 1.00 55.55 H new ATOM 0 HD3 ARG A 49 1.106 -3.219 -33.643 1.00 55.55 H new ATOM 0 HE ARG A 49 -0.553 -2.407 -31.407 1.00 14.55 H new ATOM 0 HH11 ARG A 49 0.358 -1.617 -34.725 1.00 53.31 H new ATOM 0 HH12 ARG A 49 -1.172 -0.807 -35.075 1.00 53.31 H new ATOM 0 HH21 ARG A 49 -2.518 -1.366 -31.865 1.00 32.11 H new ATOM 0 HH22 ARG A 49 -2.793 -0.665 -33.463 1.00 32.11 H new ATOM 787 N ASP A 50 4.148 -1.888 -32.112 1.00 63.32 N ATOM 788 CA ASP A 50 4.286 -0.525 -32.610 1.00 52.51 C ATOM 789 C ASP A 50 5.582 0.107 -32.113 1.00 43.32 C ATOM 790 O ASP A 50 5.770 1.320 -32.208 1.00 53.25 O ATOM 791 CB ASP A 50 3.090 0.324 -32.173 1.00 64.41 C ATOM 792 CG ASP A 50 2.361 0.945 -33.348 1.00 31.11 C ATOM 793 OD1 ASP A 50 2.040 0.208 -34.304 1.00 52.32 O ATOM 794 OD2 ASP A 50 2.110 2.167 -33.311 1.00 3.52 O ATOM 0 H ASP A 50 3.982 -1.955 -31.108 1.00 63.32 H new ATOM 0 HA ASP A 50 4.316 -0.564 -33.699 1.00 52.51 H new ATOM 0 HB2 ASP A 50 2.396 -0.296 -31.605 1.00 64.41 H new ATOM 0 HB3 ASP A 50 3.433 1.113 -31.504 1.00 64.41 H new ATOM 799 N SER A 51 6.474 -0.723 -31.582 1.00 32.21 N ATOM 800 CA SER A 51 7.751 -0.245 -31.065 1.00 71.23 C ATOM 801 C SER A 51 7.552 0.558 -29.783 1.00 61.43 C ATOM 802 O SER A 51 7.824 1.758 -29.740 1.00 40.21 O ATOM 803 CB SER A 51 8.460 0.614 -32.114 1.00 11.11 C ATOM 804 OG SER A 51 9.862 0.617 -31.908 1.00 12.25 O ATOM 0 H SER A 51 6.336 -1.730 -31.498 1.00 32.21 H new ATOM 0 HA SER A 51 8.370 -1.112 -30.837 1.00 71.23 H new ATOM 0 HB2 SER A 51 8.237 0.234 -33.111 1.00 11.11 H new ATOM 0 HB3 SER A 51 8.081 1.635 -32.069 1.00 11.11 H new ATOM 0 HG SER A 51 10.292 1.172 -32.592 1.00 12.25 H new ATOM 810 N LEU A 52 7.076 -0.114 -28.740 1.00 51.55 N ATOM 811 CA LEU A 52 6.840 0.536 -27.456 1.00 31.23 C ATOM 812 C LEU A 52 5.739 1.585 -27.570 1.00 51.31 C ATOM 813 O LEU A 52 6.013 2.784 -27.639 1.00 52.04 O ATOM 814 CB LEU A 52 8.128 1.185 -26.946 1.00 32.23 C ATOM 815 CG LEU A 52 8.847 0.450 -25.813 1.00 54.44 C ATOM 816 CD1 LEU A 52 9.224 -0.958 -26.246 1.00 32.15 C ATOM 817 CD2 LEU A 52 10.081 1.224 -25.375 1.00 43.41 C ATOM 0 H LEU A 52 6.846 -1.108 -28.759 1.00 51.55 H new ATOM 0 HA LEU A 52 6.518 -0.225 -26.746 1.00 31.23 H new ATOM 0 HB2 LEU A 52 8.818 1.283 -27.784 1.00 32.23 H new ATOM 0 HB3 LEU A 52 7.893 2.194 -26.606 1.00 32.23 H new ATOM 0 HG LEU A 52 8.168 0.377 -24.963 1.00 54.44 H new ATOM 0 HD11 LEU A 52 9.734 -1.466 -25.428 1.00 32.15 H new ATOM 0 HD12 LEU A 52 8.323 -1.511 -26.510 1.00 32.15 H new ATOM 0 HD13 LEU A 52 9.886 -0.908 -27.111 1.00 32.15 H new ATOM 0 HD21 LEU A 52 10.580 0.687 -24.569 1.00 43.41 H new ATOM 0 HD22 LEU A 52 10.764 1.328 -26.218 1.00 43.41 H new ATOM 0 HD23 LEU A 52 9.785 2.212 -25.024 1.00 43.41 H new ATOM 829 N THR A 53 4.491 1.127 -27.587 1.00 50.24 N ATOM 830 CA THR A 53 3.348 2.026 -27.692 1.00 63.30 C ATOM 831 C THR A 53 2.798 2.378 -26.315 1.00 34.41 C ATOM 832 O THR A 53 1.583 2.450 -26.120 1.00 64.52 O ATOM 833 CB THR A 53 2.222 1.405 -28.540 1.00 13.43 C ATOM 834 OG1 THR A 53 2.735 0.317 -29.315 1.00 71.44 O ATOM 835 CG2 THR A 53 1.604 2.445 -29.462 1.00 53.05 C ATOM 0 H THR A 53 4.246 0.139 -27.529 1.00 50.24 H new ATOM 0 HA THR A 53 3.702 2.933 -28.181 1.00 63.30 H new ATOM 0 HB THR A 53 1.450 1.036 -27.865 1.00 13.43 H new ATOM 0 HG1 THR A 53 2.027 -0.346 -29.457 1.00 71.44 H new ATOM 0 HG21 THR A 53 0.811 1.984 -30.051 1.00 53.05 H new ATOM 0 HG22 THR A 53 1.188 3.258 -28.867 1.00 53.05 H new ATOM 0 HG23 THR A 53 2.370 2.840 -30.130 1.00 53.05 H new ATOM 843 N LEU A 54 3.697 2.597 -25.362 1.00 33.12 N ATOM 844 CA LEU A 54 3.300 2.943 -24.001 1.00 64.31 C ATOM 845 C LEU A 54 2.351 4.137 -23.997 1.00 62.32 C ATOM 846 O LEU A 54 2.687 5.211 -24.495 1.00 4.33 O ATOM 847 CB LEU A 54 4.535 3.255 -23.153 1.00 54.12 C ATOM 848 CG LEU A 54 5.694 2.264 -23.264 1.00 73.04 C ATOM 849 CD1 LEU A 54 6.933 2.951 -23.817 1.00 54.32 C ATOM 850 CD2 LEU A 54 5.990 1.635 -21.911 1.00 14.34 C ATOM 0 H LEU A 54 4.705 2.541 -25.506 1.00 33.12 H new ATOM 0 HA LEU A 54 2.779 2.087 -23.572 1.00 64.31 H new ATOM 0 HB2 LEU A 54 4.901 4.244 -23.430 1.00 54.12 H new ATOM 0 HB3 LEU A 54 4.229 3.310 -22.108 1.00 54.12 H new ATOM 0 HG LEU A 54 5.404 1.472 -23.955 1.00 73.04 H new ATOM 0 HD11 LEU A 54 7.747 2.230 -23.889 1.00 54.32 H new ATOM 0 HD12 LEU A 54 6.715 3.352 -24.807 1.00 54.32 H new ATOM 0 HD13 LEU A 54 7.226 3.764 -23.152 1.00 54.32 H new ATOM 0 HD21 LEU A 54 6.818 0.933 -22.010 1.00 14.34 H new ATOM 0 HD22 LEU A 54 6.259 2.415 -21.198 1.00 14.34 H new ATOM 0 HD23 LEU A 54 5.106 1.106 -21.554 1.00 14.34 H new ATOM 862 N SER A 55 1.165 3.941 -23.431 1.00 12.14 N ATOM 863 CA SER A 55 0.166 5.001 -23.363 1.00 51.40 C ATOM 864 C SER A 55 0.163 5.657 -21.986 1.00 15.54 C ATOM 865 O SER A 55 -0.140 5.015 -20.981 1.00 34.02 O ATOM 866 CB SER A 55 -1.223 4.443 -23.678 1.00 13.11 C ATOM 867 OG SER A 55 -1.824 5.146 -24.752 1.00 22.20 O ATOM 0 H SER A 55 0.872 3.058 -23.013 1.00 12.14 H new ATOM 0 HA SER A 55 0.423 5.757 -24.106 1.00 51.40 H new ATOM 0 HB2 SER A 55 -1.145 3.385 -23.930 1.00 13.11 H new ATOM 0 HB3 SER A 55 -1.856 4.514 -22.793 1.00 13.11 H new ATOM 0 HG SER A 55 -2.710 4.769 -24.935 1.00 22.20 H new ATOM 873 N ALA A 56 0.502 6.942 -21.948 1.00 60.22 N ATOM 874 CA ALA A 56 0.537 7.687 -20.696 1.00 34.32 C ATOM 875 C ALA A 56 -0.566 8.739 -20.652 1.00 42.45 C ATOM 876 O ALA A 56 -0.686 9.564 -21.558 1.00 63.33 O ATOM 877 CB ALA A 56 1.899 8.338 -20.506 1.00 74.24 C ATOM 0 H ALA A 56 0.756 7.488 -22.771 1.00 60.22 H new ATOM 0 HA ALA A 56 0.366 6.985 -19.880 1.00 34.32 H new ATOM 0 HB1 ALA A 56 1.910 8.891 -19.567 1.00 74.24 H new ATOM 0 HB2 ALA A 56 2.670 7.568 -20.483 1.00 74.24 H new ATOM 0 HB3 ALA A 56 2.094 9.022 -21.332 1.00 74.24 H new ATOM 883 N ALA A 57 -1.369 8.705 -19.594 1.00 51.13 N ATOM 884 CA ALA A 57 -2.461 9.657 -19.433 1.00 1.31 C ATOM 885 C ALA A 57 -2.828 9.827 -17.963 1.00 14.13 C ATOM 886 O ALA A 57 -2.772 8.875 -17.185 1.00 53.34 O ATOM 887 CB ALA A 57 -3.674 9.210 -20.234 1.00 75.40 C ATOM 0 H ALA A 57 -1.284 8.028 -18.835 1.00 51.13 H new ATOM 0 HA ALA A 57 -2.127 10.623 -19.811 1.00 1.31 H new ATOM 0 HB1 ALA A 57 -4.481 9.931 -20.104 1.00 75.40 H new ATOM 0 HB2 ALA A 57 -3.410 9.147 -21.290 1.00 75.40 H new ATOM 0 HB3 ALA A 57 -4.001 8.231 -19.883 1.00 75.40 H new ATOM 893 N ASN A 58 -3.204 11.046 -17.588 1.00 62.13 N ATOM 894 CA ASN A 58 -3.579 11.340 -16.210 1.00 53.32 C ATOM 895 C ASN A 58 -5.048 11.743 -16.121 1.00 10.52 C ATOM 896 O ASN A 58 -5.421 12.855 -16.496 1.00 72.23 O ATOM 897 CB ASN A 58 -2.697 12.456 -15.647 1.00 13.34 C ATOM 898 CG ASN A 58 -3.263 13.052 -14.372 1.00 3.12 C ATOM 899 OD1 ASN A 58 -3.023 12.544 -13.276 1.00 43.14 O ATOM 900 ND2 ASN A 58 -4.019 14.135 -14.510 1.00 4.24 N ATOM 0 H ASN A 58 -3.257 11.845 -18.219 1.00 62.13 H new ATOM 0 HA ASN A 58 -3.432 10.437 -15.618 1.00 53.32 H new ATOM 0 HB2 ASN A 58 -1.700 12.063 -15.450 1.00 13.34 H new ATOM 0 HB3 ASN A 58 -2.588 13.241 -16.395 1.00 13.34 H new ATOM 0 HD21 ASN A 58 -4.427 14.580 -13.688 1.00 4.24 H new ATOM 0 HD22 ASN A 58 -4.191 14.522 -15.438 1.00 4.24 H new ATOM 907 N SER A 59 -5.877 10.833 -15.621 1.00 23.44 N ATOM 908 CA SER A 59 -7.305 11.092 -15.485 1.00 33.55 C ATOM 909 C SER A 59 -7.905 11.540 -16.814 1.00 31.32 C ATOM 910 O SER A 59 -8.849 12.328 -16.846 1.00 11.32 O ATOM 911 CB SER A 59 -7.552 12.157 -14.415 1.00 53.53 C ATOM 912 OG SER A 59 -8.881 12.092 -13.927 1.00 60.30 O ATOM 0 H SER A 59 -5.584 9.909 -15.303 1.00 23.44 H new ATOM 0 HA SER A 59 -7.790 10.164 -15.182 1.00 33.55 H new ATOM 0 HB2 SER A 59 -6.852 12.018 -13.591 1.00 53.53 H new ATOM 0 HB3 SER A 59 -7.362 13.146 -14.832 1.00 53.53 H new ATOM 0 HG SER A 59 -9.508 12.158 -14.677 1.00 60.30 H new ATOM 918 N GLU A 60 -7.349 11.030 -17.909 1.00 10.34 N ATOM 919 CA GLU A 60 -7.828 11.379 -19.241 1.00 33.31 C ATOM 920 C GLU A 60 -8.362 10.147 -19.966 1.00 75.03 C ATOM 921 O GLU A 60 -9.239 10.250 -20.825 1.00 3.40 O ATOM 922 CB GLU A 60 -6.706 12.019 -20.060 1.00 4.43 C ATOM 923 CG GLU A 60 -6.962 13.476 -20.410 1.00 32.54 C ATOM 924 CD GLU A 60 -7.579 13.645 -21.785 1.00 2.25 C ATOM 925 OE1 GLU A 60 -8.713 14.161 -21.866 1.00 13.14 O ATOM 926 OE2 GLU A 60 -6.928 13.262 -22.779 1.00 3.32 O ATOM 0 H GLU A 60 -6.567 10.375 -17.900 1.00 10.34 H new ATOM 0 HA GLU A 60 -8.641 12.096 -19.130 1.00 33.31 H new ATOM 0 HB2 GLU A 60 -5.773 11.947 -19.501 1.00 4.43 H new ATOM 0 HB3 GLU A 60 -6.570 11.451 -20.981 1.00 4.43 H new ATOM 0 HG2 GLU A 60 -7.623 13.915 -19.663 1.00 32.54 H new ATOM 0 HG3 GLU A 60 -6.022 14.027 -20.367 1.00 32.54 H new ATOM 933 N ASP A 61 -7.828 8.983 -19.615 1.00 62.20 N ATOM 934 CA ASP A 61 -8.250 7.730 -20.231 1.00 51.44 C ATOM 935 C ASP A 61 -9.374 7.082 -19.429 1.00 62.31 C ATOM 936 O ASP A 61 -9.150 6.567 -18.334 1.00 44.20 O ATOM 937 CB ASP A 61 -7.066 6.768 -20.345 1.00 15.42 C ATOM 938 CG ASP A 61 -7.403 5.529 -21.151 1.00 44.41 C ATOM 939 OD1 ASP A 61 -6.942 4.432 -20.773 1.00 30.24 O ATOM 940 OD2 ASP A 61 -8.127 5.657 -22.160 1.00 41.11 O ATOM 0 H ASP A 61 -7.101 8.880 -18.907 1.00 62.20 H new ATOM 0 HA ASP A 61 -8.623 7.953 -21.231 1.00 51.44 H new ATOM 0 HB2 ASP A 61 -6.226 7.284 -20.811 1.00 15.42 H new ATOM 0 HB3 ASP A 61 -6.744 6.472 -19.346 1.00 15.42 H new ATOM 945 N GLU A 62 -10.582 7.111 -19.982 1.00 14.51 N ATOM 946 CA GLU A 62 -11.741 6.528 -19.316 1.00 21.31 C ATOM 947 C GLU A 62 -12.750 6.007 -20.336 1.00 2.33 C ATOM 948 O GLU A 62 -13.927 5.831 -20.026 1.00 53.41 O ATOM 949 CB GLU A 62 -12.407 7.561 -18.404 1.00 70.54 C ATOM 950 CG GLU A 62 -11.875 7.549 -16.981 1.00 40.42 C ATOM 951 CD GLU A 62 -12.921 7.122 -15.970 1.00 74.35 C ATOM 952 OE1 GLU A 62 -12.790 6.011 -15.416 1.00 31.54 O ATOM 953 OE2 GLU A 62 -13.871 7.897 -15.735 1.00 11.34 O ATOM 0 H GLU A 62 -10.784 7.532 -20.889 1.00 14.51 H new ATOM 0 HA GLU A 62 -11.396 5.689 -18.711 1.00 21.31 H new ATOM 0 HB2 GLU A 62 -12.263 8.555 -18.828 1.00 70.54 H new ATOM 0 HB3 GLU A 62 -13.481 7.376 -18.383 1.00 70.54 H new ATOM 0 HG2 GLU A 62 -11.021 6.874 -16.922 1.00 40.42 H new ATOM 0 HG3 GLU A 62 -11.512 8.544 -16.724 1.00 40.42 H new ATOM 960 N GLY A 63 -12.278 5.763 -21.555 1.00 12.42 N ATOM 961 CA GLY A 63 -13.151 5.267 -22.602 1.00 72.51 C ATOM 962 C GLY A 63 -13.627 3.852 -22.337 1.00 54.05 C ATOM 963 O GLY A 63 -14.587 3.643 -21.597 1.00 35.34 O ATOM 0 H GLY A 63 -11.307 5.900 -21.836 1.00 12.42 H new ATOM 0 HA2 GLY A 63 -14.014 5.926 -22.694 1.00 72.51 H new ATOM 0 HA3 GLY A 63 -12.624 5.297 -23.555 1.00 72.51 H new ATOM 967 N GLN A 64 -12.956 2.880 -22.946 1.00 22.43 N ATOM 968 CA GLN A 64 -13.318 1.478 -22.773 1.00 73.12 C ATOM 969 C GLN A 64 -12.132 0.668 -22.260 1.00 13.11 C ATOM 970 O GLN A 64 -11.057 0.676 -22.860 1.00 31.30 O ATOM 971 CB GLN A 64 -13.817 0.892 -24.095 1.00 74.21 C ATOM 972 CG GLN A 64 -15.309 1.081 -24.320 1.00 21.43 C ATOM 973 CD GLN A 64 -16.137 -0.031 -23.706 1.00 21.11 C ATOM 974 OE1 GLN A 64 -15.784 -1.207 -23.798 1.00 61.12 O ATOM 975 NE2 GLN A 64 -17.246 0.336 -23.074 1.00 63.11 N ATOM 0 H GLN A 64 -12.159 3.037 -23.563 1.00 22.43 H new ATOM 0 HA GLN A 64 -14.118 1.424 -22.034 1.00 73.12 H new ATOM 0 HB2 GLN A 64 -13.272 1.356 -24.917 1.00 74.21 H new ATOM 0 HB3 GLN A 64 -13.586 -0.173 -24.121 1.00 74.21 H new ATOM 0 HG2 GLN A 64 -15.619 2.036 -23.896 1.00 21.43 H new ATOM 0 HG3 GLN A 64 -15.508 1.128 -25.391 1.00 21.43 H new ATOM 0 HE21 GLN A 64 -17.501 1.322 -23.022 1.00 63.11 H new ATOM 0 HE22 GLN A 64 -17.843 -0.368 -22.641 1.00 63.11 H new ATOM 984 N ILE A 65 -12.335 -0.029 -21.147 1.00 13.21 N ATOM 985 CA ILE A 65 -11.283 -0.844 -20.554 1.00 24.11 C ATOM 986 C ILE A 65 -11.852 -2.123 -19.949 1.00 53.15 C ATOM 987 O ILE A 65 -12.945 -2.120 -19.383 1.00 75.42 O ATOM 988 CB ILE A 65 -10.518 -0.070 -19.463 1.00 72.45 C ATOM 989 CG1 ILE A 65 -9.454 -0.965 -18.824 1.00 14.24 C ATOM 990 CG2 ILE A 65 -11.483 0.452 -18.409 1.00 71.44 C ATOM 991 CD1 ILE A 65 -8.172 -0.235 -18.491 1.00 20.14 C ATOM 0 H ILE A 65 -13.219 -0.045 -20.638 1.00 13.21 H new ATOM 0 HA ILE A 65 -10.593 -1.101 -21.358 1.00 24.11 H new ATOM 0 HB ILE A 65 -10.019 0.782 -19.924 1.00 72.45 H new ATOM 0 HG12 ILE A 65 -9.860 -1.404 -17.913 1.00 14.24 H new ATOM 0 HG13 ILE A 65 -9.228 -1.788 -19.502 1.00 14.24 H new ATOM 0 HG21 ILE A 65 -10.928 0.996 -17.645 1.00 71.44 H new ATOM 0 HG22 ILE A 65 -12.206 1.120 -18.877 1.00 71.44 H new ATOM 0 HG23 ILE A 65 -12.007 -0.386 -17.949 1.00 71.44 H new ATOM 0 HD11 ILE A 65 -7.463 -0.931 -18.041 1.00 20.14 H new ATOM 0 HD12 ILE A 65 -7.743 0.181 -19.402 1.00 20.14 H new ATOM 0 HD13 ILE A 65 -8.384 0.571 -17.789 1.00 20.14 H new ATOM 1003 N ARG A 66 -11.103 -3.214 -20.072 1.00 52.33 N ATOM 1004 CA ARG A 66 -11.533 -4.500 -19.537 1.00 72.04 C ATOM 1005 C ARG A 66 -10.450 -5.111 -18.653 1.00 41.32 C ATOM 1006 O ARG A 66 -9.258 -4.895 -18.875 1.00 53.41 O ATOM 1007 CB ARG A 66 -11.878 -5.461 -20.677 1.00 1.30 C ATOM 1008 CG ARG A 66 -13.344 -5.431 -21.076 1.00 52.33 C ATOM 1009 CD ARG A 66 -13.897 -6.834 -21.272 1.00 50.31 C ATOM 1010 NE ARG A 66 -15.320 -6.820 -21.600 1.00 32.42 N ATOM 1011 CZ ARG A 66 -16.282 -6.682 -20.694 1.00 24.23 C ATOM 1012 NH1 ARG A 66 -15.974 -6.546 -19.411 1.00 40.43 N ATOM 1013 NH2 ARG A 66 -17.554 -6.680 -21.070 1.00 11.21 N ATOM 0 H ARG A 66 -10.196 -3.233 -20.537 1.00 52.33 H new ATOM 0 HA ARG A 66 -12.422 -4.333 -18.929 1.00 72.04 H new ATOM 0 HB2 ARG A 66 -11.268 -5.214 -21.546 1.00 1.30 H new ATOM 0 HB3 ARG A 66 -11.612 -6.475 -20.379 1.00 1.30 H new ATOM 0 HG2 ARG A 66 -13.921 -4.915 -20.308 1.00 52.33 H new ATOM 0 HG3 ARG A 66 -13.460 -4.861 -21.998 1.00 52.33 H new ATOM 0 HD2 ARG A 66 -13.346 -7.333 -22.069 1.00 50.31 H new ATOM 0 HD3 ARG A 66 -13.740 -7.416 -20.364 1.00 50.31 H new ATOM 0 HE ARG A 66 -15.590 -6.922 -22.578 1.00 32.42 H new ATOM 0 HH11 ARG A 66 -14.997 -6.547 -19.118 1.00 40.43 H new ATOM 0 HH12 ARG A 66 -16.714 -6.440 -18.717 1.00 40.43 H new ATOM 0 HH21 ARG A 66 -17.795 -6.785 -22.056 1.00 11.21 H new ATOM 0 HH22 ARG A 66 -18.292 -6.574 -20.373 1.00 11.21 H new ATOM 1027 N TYR A 67 -10.872 -5.873 -17.651 1.00 31.22 N ATOM 1028 CA TYR A 67 -9.939 -6.513 -16.731 1.00 43.32 C ATOM 1029 C TYR A 67 -9.564 -7.909 -17.219 1.00 1.12 C ATOM 1030 O TYR A 67 -10.416 -8.792 -17.325 1.00 45.41 O ATOM 1031 CB TYR A 67 -10.547 -6.596 -15.330 1.00 44.21 C ATOM 1032 CG TYR A 67 -10.998 -5.259 -14.786 1.00 32.43 C ATOM 1033 CD1 TYR A 67 -10.075 -4.277 -14.448 1.00 53.04 C ATOM 1034 CD2 TYR A 67 -12.347 -4.979 -14.608 1.00 34.43 C ATOM 1035 CE1 TYR A 67 -10.483 -3.055 -13.950 1.00 50.31 C ATOM 1036 CE2 TYR A 67 -12.764 -3.760 -14.111 1.00 53.55 C ATOM 1037 CZ TYR A 67 -11.828 -2.801 -13.784 1.00 15.41 C ATOM 1038 OH TYR A 67 -12.240 -1.585 -13.288 1.00 3.31 O ATOM 0 H TYR A 67 -11.855 -6.063 -17.455 1.00 31.22 H new ATOM 0 HA TYR A 67 -9.034 -5.907 -16.691 1.00 43.32 H new ATOM 0 HB2 TYR A 67 -11.399 -7.276 -15.352 1.00 44.21 H new ATOM 0 HB3 TYR A 67 -9.813 -7.027 -14.649 1.00 44.21 H new ATOM 0 HD1 TYR A 67 -9.021 -4.473 -14.577 1.00 53.04 H new ATOM 0 HD2 TYR A 67 -13.082 -5.728 -14.863 1.00 34.43 H new ATOM 0 HE1 TYR A 67 -9.752 -2.303 -13.692 1.00 50.31 H new ATOM 0 HE2 TYR A 67 -13.817 -3.559 -13.979 1.00 53.55 H new ATOM 0 HH TYR A 67 -13.218 -1.568 -13.234 1.00 3.31 H new ATOM 1048 N PHE A 68 -8.282 -8.101 -17.514 1.00 34.24 N ATOM 1049 CA PHE A 68 -7.793 -9.389 -17.990 1.00 63.44 C ATOM 1050 C PHE A 68 -7.060 -10.137 -16.880 1.00 63.35 C ATOM 1051 O PHE A 68 -6.363 -9.533 -16.064 1.00 41.11 O ATOM 1052 CB PHE A 68 -6.862 -9.193 -19.189 1.00 73.22 C ATOM 1053 CG PHE A 68 -6.606 -10.455 -19.962 1.00 24.54 C ATOM 1054 CD1 PHE A 68 -7.574 -10.977 -20.805 1.00 1.44 C ATOM 1055 CD2 PHE A 68 -5.396 -11.121 -19.844 1.00 71.24 C ATOM 1056 CE1 PHE A 68 -7.341 -12.138 -21.517 1.00 42.12 C ATOM 1057 CE2 PHE A 68 -5.157 -12.282 -20.555 1.00 32.53 C ATOM 1058 CZ PHE A 68 -6.131 -12.792 -21.391 1.00 71.11 C ATOM 0 H PHE A 68 -7.564 -7.381 -17.432 1.00 34.24 H new ATOM 0 HA PHE A 68 -8.652 -9.984 -18.299 1.00 63.44 H new ATOM 0 HB2 PHE A 68 -7.295 -8.449 -19.857 1.00 73.22 H new ATOM 0 HB3 PHE A 68 -5.911 -8.792 -18.839 1.00 73.22 H new ATOM 0 HD1 PHE A 68 -8.522 -10.470 -20.907 1.00 1.44 H new ATOM 0 HD2 PHE A 68 -4.632 -10.729 -19.189 1.00 71.24 H new ATOM 0 HE1 PHE A 68 -8.104 -12.534 -22.171 1.00 42.12 H new ATOM 0 HE2 PHE A 68 -4.209 -12.790 -20.457 1.00 32.53 H new ATOM 0 HZ PHE A 68 -5.947 -13.701 -21.945 1.00 71.11 H new ATOM 1068 N LEU A 69 -7.222 -11.455 -16.856 1.00 74.44 N ATOM 1069 CA LEU A 69 -6.577 -12.288 -15.847 1.00 11.32 C ATOM 1070 C LEU A 69 -6.915 -13.760 -16.058 1.00 21.12 C ATOM 1071 O LEU A 69 -6.040 -14.597 -16.284 1.00 55.44 O ATOM 1072 CB LEU A 69 -7.007 -11.850 -14.446 1.00 12.33 C ATOM 1073 CG LEU A 69 -5.917 -11.227 -13.573 1.00 1.00 C ATOM 1074 CD1 LEU A 69 -6.463 -10.030 -12.810 1.00 3.00 C ATOM 1075 CD2 LEU A 69 -5.348 -12.260 -12.612 1.00 32.44 C ATOM 0 H LEU A 69 -7.795 -11.970 -17.524 1.00 74.44 H new ATOM 0 HA LEU A 69 -5.498 -12.165 -15.945 1.00 11.32 H new ATOM 0 HB2 LEU A 69 -7.820 -11.131 -14.546 1.00 12.33 H new ATOM 0 HB3 LEU A 69 -7.411 -12.717 -13.924 1.00 12.33 H new ATOM 0 HG LEU A 69 -5.112 -10.882 -14.222 1.00 1.00 H new ATOM 0 HD11 LEU A 69 -5.673 -9.600 -12.194 1.00 3.00 H new ATOM 0 HD12 LEU A 69 -6.821 -9.281 -13.516 1.00 3.00 H new ATOM 0 HD13 LEU A 69 -7.287 -10.350 -12.172 1.00 3.00 H new ATOM 0 HD21 LEU A 69 -4.574 -11.799 -11.999 1.00 32.44 H new ATOM 0 HD22 LEU A 69 -6.144 -12.636 -11.969 1.00 32.44 H new ATOM 0 HD23 LEU A 69 -4.918 -13.086 -13.179 1.00 32.44 H new ATOM 1087 N PRO A 70 -8.214 -14.086 -15.984 1.00 40.13 N ATOM 1088 CA PRO A 70 -8.698 -15.458 -16.167 1.00 44.41 C ATOM 1089 C PRO A 70 -8.559 -15.934 -17.609 1.00 51.31 C ATOM 1090 O PRO A 70 -8.782 -17.107 -17.910 1.00 10.44 O ATOM 1091 CB PRO A 70 -10.174 -15.369 -15.773 1.00 10.42 C ATOM 1092 CG PRO A 70 -10.545 -13.946 -16.013 1.00 73.04 C ATOM 1093 CD PRO A 70 -9.311 -13.140 -15.717 1.00 63.25 C ATOM 0 HA PRO A 70 -8.127 -16.174 -15.575 1.00 44.41 H new ATOM 0 HB2 PRO A 70 -10.785 -16.044 -16.372 1.00 10.42 H new ATOM 0 HB3 PRO A 70 -10.323 -15.646 -14.729 1.00 10.42 H new ATOM 0 HG2 PRO A 70 -10.871 -13.796 -17.042 1.00 73.04 H new ATOM 0 HG3 PRO A 70 -11.372 -13.644 -15.370 1.00 73.04 H new ATOM 0 HD2 PRO A 70 -9.245 -12.258 -16.354 1.00 63.25 H new ATOM 0 HD3 PRO A 70 -9.298 -12.790 -14.685 1.00 63.25 H new ATOM 1101 N ASP A 71 -8.190 -15.017 -18.497 1.00 23.22 N ATOM 1102 CA ASP A 71 -8.020 -15.344 -19.908 1.00 22.22 C ATOM 1103 C ASP A 71 -9.194 -16.173 -20.419 1.00 32.02 C ATOM 1104 O ASP A 71 -9.027 -17.043 -21.274 1.00 54.41 O ATOM 1105 CB ASP A 71 -6.711 -16.105 -20.123 1.00 24.11 C ATOM 1106 CG ASP A 71 -6.735 -17.487 -19.500 1.00 0.13 C ATOM 1107 OD1 ASP A 71 -7.189 -18.435 -20.175 1.00 14.35 O ATOM 1108 OD2 ASP A 71 -6.299 -17.621 -18.337 1.00 41.24 O ATOM 0 H ASP A 71 -8.003 -14.042 -18.265 1.00 23.22 H new ATOM 0 HA ASP A 71 -7.985 -14.411 -20.470 1.00 22.22 H new ATOM 0 HB2 ASP A 71 -6.518 -16.195 -21.192 1.00 24.11 H new ATOM 0 HB3 ASP A 71 -5.887 -15.532 -19.697 1.00 24.11 H new ATOM 1113 N ARG A 72 -10.381 -15.898 -19.888 1.00 32.21 N ATOM 1114 CA ARG A 72 -11.583 -16.620 -20.289 1.00 1.15 C ATOM 1115 C ARG A 72 -12.729 -15.653 -20.573 1.00 4.04 C ATOM 1116 O ARG A 72 -13.900 -16.015 -20.467 1.00 35.12 O ATOM 1117 CB ARG A 72 -11.996 -17.610 -19.198 1.00 62.53 C ATOM 1118 CG ARG A 72 -12.668 -16.955 -18.003 1.00 73.21 C ATOM 1119 CD ARG A 72 -12.591 -17.838 -16.767 1.00 44.21 C ATOM 1120 NE ARG A 72 -13.183 -19.153 -16.996 1.00 23.12 N ATOM 1121 CZ ARG A 72 -13.206 -20.117 -16.082 1.00 72.34 C ATOM 1122 NH1 ARG A 72 -12.674 -19.914 -14.885 1.00 40.02 N ATOM 1123 NH2 ARG A 72 -13.763 -21.288 -16.366 1.00 14.24 N ATOM 0 H ARG A 72 -10.536 -15.181 -19.179 1.00 32.21 H new ATOM 0 HA ARG A 72 -11.359 -17.169 -21.203 1.00 1.15 H new ATOM 0 HB2 ARG A 72 -12.675 -18.347 -19.627 1.00 62.53 H new ATOM 0 HB3 ARG A 72 -11.113 -18.150 -18.856 1.00 62.53 H new ATOM 0 HG2 ARG A 72 -12.192 -15.996 -17.797 1.00 73.21 H new ATOM 0 HG3 ARG A 72 -13.712 -16.748 -18.239 1.00 73.21 H new ATOM 0 HD2 ARG A 72 -11.549 -17.956 -16.470 1.00 44.21 H new ATOM 0 HD3 ARG A 72 -13.104 -17.349 -15.939 1.00 44.21 H new ATOM 0 HE ARG A 72 -13.601 -19.342 -17.907 1.00 23.12 H new ATOM 0 HH11 ARG A 72 -12.245 -19.015 -14.663 1.00 40.02 H new ATOM 0 HH12 ARG A 72 -12.693 -20.656 -14.186 1.00 40.02 H new ATOM 0 HH21 ARG A 72 -14.173 -21.448 -17.286 1.00 14.24 H new ATOM 0 HH22 ARG A 72 -13.781 -22.028 -15.664 1.00 14.24 H new ATOM 1137 N ASP A 73 -12.381 -14.422 -20.933 1.00 35.41 N ATOM 1138 CA ASP A 73 -13.380 -13.403 -21.233 1.00 33.02 C ATOM 1139 C ASP A 73 -13.656 -13.336 -22.732 1.00 25.32 C ATOM 1140 O ASP A 73 -13.926 -12.266 -23.275 1.00 41.12 O ATOM 1141 CB ASP A 73 -12.914 -12.037 -20.726 1.00 34.31 C ATOM 1142 CG ASP A 73 -14.017 -10.998 -20.766 1.00 13.12 C ATOM 1143 OD1 ASP A 73 -13.742 -9.856 -21.190 1.00 41.04 O ATOM 1144 OD2 ASP A 73 -15.156 -11.327 -20.373 1.00 51.52 O ATOM 0 H ASP A 73 -11.415 -14.106 -21.024 1.00 35.41 H new ATOM 0 HA ASP A 73 -14.305 -13.675 -20.724 1.00 33.02 H new ATOM 0 HB2 ASP A 73 -12.550 -12.137 -19.703 1.00 34.31 H new ATOM 0 HB3 ASP A 73 -12.074 -11.695 -21.331 1.00 34.31 H new ATOM 1149 N GLU A 74 -13.583 -14.487 -23.393 1.00 75.14 N ATOM 1150 CA GLU A 74 -13.823 -14.558 -24.830 1.00 51.30 C ATOM 1151 C GLU A 74 -12.840 -13.671 -25.590 1.00 34.32 C ATOM 1152 O GLU A 74 -13.221 -12.955 -26.515 1.00 63.41 O ATOM 1153 CB GLU A 74 -15.259 -14.138 -25.151 1.00 50.13 C ATOM 1154 CG GLU A 74 -16.308 -14.913 -24.372 1.00 55.23 C ATOM 1155 CD GLU A 74 -16.711 -14.218 -23.086 1.00 30.32 C ATOM 1156 OE1 GLU A 74 -16.394 -14.750 -22.001 1.00 42.11 O ATOM 1157 OE2 GLU A 74 -17.343 -13.144 -23.163 1.00 61.24 O ATOM 0 H GLU A 74 -13.360 -15.382 -22.957 1.00 75.14 H new ATOM 0 HA GLU A 74 -13.675 -15.590 -25.147 1.00 51.30 H new ATOM 0 HB2 GLU A 74 -15.374 -13.075 -24.940 1.00 50.13 H new ATOM 0 HB3 GLU A 74 -15.438 -14.272 -26.218 1.00 50.13 H new ATOM 0 HG2 GLU A 74 -17.190 -15.052 -24.997 1.00 55.23 H new ATOM 0 HG3 GLU A 74 -15.922 -15.906 -24.139 1.00 55.23 H new ATOM 1164 N GLY A 75 -11.573 -13.725 -25.191 1.00 32.14 N ATOM 1165 CA GLY A 75 -10.555 -12.923 -25.843 1.00 52.41 C ATOM 1166 C GLY A 75 -9.219 -13.634 -25.924 1.00 74.51 C ATOM 1167 O GLY A 75 -8.492 -13.493 -26.906 1.00 41.05 O ATOM 0 H GLY A 75 -11.234 -14.310 -24.428 1.00 32.14 H new ATOM 0 HA2 GLY A 75 -10.888 -12.667 -26.849 1.00 52.41 H new ATOM 0 HA3 GLY A 75 -10.432 -11.986 -25.300 1.00 52.41 H new ATOM 1171 N MET A 76 -8.895 -14.401 -24.888 1.00 12.33 N ATOM 1172 CA MET A 76 -7.637 -15.137 -24.846 1.00 40.21 C ATOM 1173 C MET A 76 -7.436 -15.943 -26.125 1.00 51.14 C ATOM 1174 O MET A 76 -6.305 -16.190 -26.543 1.00 32.43 O ATOM 1175 CB MET A 76 -7.606 -16.068 -23.633 1.00 32.04 C ATOM 1176 CG MET A 76 -6.436 -17.038 -23.641 1.00 32.42 C ATOM 1177 SD MET A 76 -4.840 -16.201 -23.676 1.00 64.23 S ATOM 1178 CE MET A 76 -3.898 -17.219 -22.543 1.00 31.42 C ATOM 0 H MET A 76 -9.486 -14.529 -24.067 1.00 12.33 H new ATOM 0 HA MET A 76 -6.825 -14.415 -24.761 1.00 40.21 H new ATOM 0 HB2 MET A 76 -7.563 -15.467 -22.725 1.00 32.04 H new ATOM 0 HB3 MET A 76 -8.537 -16.634 -23.596 1.00 32.04 H new ATOM 0 HG2 MET A 76 -6.490 -17.673 -22.757 1.00 32.42 H new ATOM 0 HG3 MET A 76 -6.518 -17.693 -24.509 1.00 32.42 H new ATOM 0 HE1 MET A 76 -2.884 -16.827 -22.459 1.00 31.42 H new ATOM 0 HE2 MET A 76 -4.374 -17.208 -21.562 1.00 31.42 H new ATOM 0 HE3 MET A 76 -3.861 -18.242 -22.917 1.00 31.42 H new ATOM 1188 N MET A 77 -8.541 -16.350 -26.743 1.00 5.42 N ATOM 1189 CA MET A 77 -8.484 -17.127 -27.975 1.00 73.13 C ATOM 1190 C MET A 77 -7.838 -16.321 -29.097 1.00 63.25 C ATOM 1191 O MET A 77 -7.041 -16.849 -29.872 1.00 41.04 O ATOM 1192 CB MET A 77 -9.890 -17.566 -28.391 1.00 43.12 C ATOM 1193 CG MET A 77 -10.847 -16.407 -28.613 1.00 55.33 C ATOM 1194 SD MET A 77 -12.527 -16.953 -28.977 1.00 21.22 S ATOM 1195 CE MET A 77 -13.453 -16.044 -27.743 1.00 14.40 C ATOM 0 H MET A 77 -9.485 -16.154 -26.411 1.00 5.42 H new ATOM 0 HA MET A 77 -7.874 -18.011 -27.790 1.00 73.13 H new ATOM 0 HB2 MET A 77 -9.823 -18.152 -29.308 1.00 43.12 H new ATOM 0 HB3 MET A 77 -10.299 -18.222 -27.623 1.00 43.12 H new ATOM 0 HG2 MET A 77 -10.859 -15.775 -27.725 1.00 55.33 H new ATOM 0 HG3 MET A 77 -10.482 -15.792 -29.436 1.00 55.33 H new ATOM 0 HE1 MET A 77 -14.476 -16.418 -27.708 1.00 14.40 H new ATOM 0 HE2 MET A 77 -12.985 -16.175 -26.767 1.00 14.40 H new ATOM 0 HE3 MET A 77 -13.462 -14.985 -28.002 1.00 14.40 H new ATOM 1205 N GLU A 78 -8.187 -15.041 -29.178 1.00 2.13 N ATOM 1206 CA GLU A 78 -7.640 -14.164 -30.207 1.00 12.15 C ATOM 1207 C GLU A 78 -6.370 -13.475 -29.716 1.00 31.13 C ATOM 1208 O GLU A 78 -5.592 -12.948 -30.510 1.00 0.33 O ATOM 1209 CB GLU A 78 -8.676 -13.115 -30.617 1.00 71.31 C ATOM 1210 CG GLU A 78 -8.375 -12.452 -31.951 1.00 32.23 C ATOM 1211 CD GLU A 78 -8.411 -10.938 -31.871 1.00 30.32 C ATOM 1212 OE1 GLU A 78 -7.339 -10.312 -32.005 1.00 63.30 O ATOM 1213 OE2 GLU A 78 -9.510 -10.380 -31.674 1.00 13.12 O ATOM 0 H GLU A 78 -8.845 -14.588 -28.544 1.00 2.13 H new ATOM 0 HA GLU A 78 -7.389 -14.775 -31.074 1.00 12.15 H new ATOM 0 HB2 GLU A 78 -9.657 -13.586 -30.668 1.00 71.31 H new ATOM 0 HB3 GLU A 78 -8.730 -12.349 -29.844 1.00 71.31 H new ATOM 0 HG2 GLU A 78 -7.392 -12.771 -32.297 1.00 32.23 H new ATOM 0 HG3 GLU A 78 -9.099 -12.790 -32.692 1.00 32.23 H new ATOM 1220 N GLU A 79 -6.169 -13.484 -28.402 1.00 22.43 N ATOM 1221 CA GLU A 79 -4.994 -12.859 -27.805 1.00 72.41 C ATOM 1222 C GLU A 79 -4.013 -13.914 -27.302 1.00 30.31 C ATOM 1223 O GLU A 79 -3.161 -13.634 -26.460 1.00 43.22 O ATOM 1224 CB GLU A 79 -5.407 -11.941 -26.653 1.00 55.23 C ATOM 1225 CG GLU A 79 -5.034 -10.484 -26.872 1.00 71.33 C ATOM 1226 CD GLU A 79 -6.148 -9.688 -27.524 1.00 61.22 C ATOM 1227 OE1 GLU A 79 -6.453 -8.582 -27.031 1.00 21.23 O ATOM 1228 OE2 GLU A 79 -6.714 -10.171 -28.527 1.00 15.32 O ATOM 0 H GLU A 79 -6.804 -13.917 -27.731 1.00 22.43 H new ATOM 0 HA GLU A 79 -4.500 -12.265 -28.574 1.00 72.41 H new ATOM 0 HB2 GLU A 79 -6.485 -12.014 -26.510 1.00 55.23 H new ATOM 0 HB3 GLU A 79 -4.939 -12.293 -25.734 1.00 55.23 H new ATOM 0 HG2 GLU A 79 -4.781 -10.030 -25.914 1.00 71.33 H new ATOM 0 HG3 GLU A 79 -4.142 -10.431 -27.496 1.00 71.33 H new ATOM 1235 N GLY A 80 -4.141 -15.130 -27.824 1.00 60.43 N ATOM 1236 CA GLY A 80 -3.260 -16.209 -27.416 1.00 75.43 C ATOM 1237 C GLY A 80 -3.321 -17.395 -28.359 1.00 33.13 C ATOM 1238 O GLY A 80 -2.293 -17.978 -28.702 1.00 61.43 O ATOM 0 H GLY A 80 -4.839 -15.387 -28.522 1.00 60.43 H new ATOM 0 HA2 GLY A 80 -2.236 -15.839 -27.368 1.00 75.43 H new ATOM 0 HA3 GLY A 80 -3.529 -16.534 -26.411 1.00 75.43 H new ATOM 1242 N LYS A 81 -4.530 -17.755 -28.777 1.00 41.44 N ATOM 1243 CA LYS A 81 -4.722 -18.879 -29.686 1.00 15.05 C ATOM 1244 C LYS A 81 -4.868 -18.397 -31.125 1.00 41.33 C ATOM 1245 O LYS A 81 -5.379 -19.118 -31.984 1.00 1.54 O ATOM 1246 CB LYS A 81 -5.959 -19.684 -29.279 1.00 1.24 C ATOM 1247 CG LYS A 81 -5.979 -20.066 -27.809 1.00 32.12 C ATOM 1248 CD LYS A 81 -5.943 -21.574 -27.624 1.00 43.12 C ATOM 1249 CE LYS A 81 -5.168 -21.964 -26.375 1.00 11.24 C ATOM 1250 NZ LYS A 81 -6.054 -22.067 -25.182 1.00 53.13 N ATOM 0 H LYS A 81 -5.392 -17.284 -28.501 1.00 41.44 H new ATOM 0 HA LYS A 81 -3.842 -19.519 -29.624 1.00 15.05 H new ATOM 0 HB2 LYS A 81 -6.852 -19.102 -29.507 1.00 1.24 H new ATOM 0 HB3 LYS A 81 -6.007 -20.591 -29.882 1.00 1.24 H new ATOM 0 HG2 LYS A 81 -5.124 -19.616 -27.304 1.00 32.12 H new ATOM 0 HG3 LYS A 81 -6.876 -19.662 -27.339 1.00 32.12 H new ATOM 0 HD2 LYS A 81 -6.961 -21.958 -27.556 1.00 43.12 H new ATOM 0 HD3 LYS A 81 -5.485 -22.038 -28.497 1.00 43.12 H new ATOM 0 HE2 LYS A 81 -4.669 -22.919 -26.540 1.00 11.24 H new ATOM 0 HE3 LYS A 81 -4.389 -21.226 -26.186 1.00 11.24 H new ATOM 0 HZ1 LYS A 81 -5.488 -22.335 -24.351 1.00 53.13 H new ATOM 0 HZ2 LYS A 81 -6.511 -21.149 -25.008 1.00 53.13 H new ATOM 0 HZ3 LYS A 81 -6.783 -22.789 -25.352 1.00 53.13 H new ATOM 1264 N LEU A 82 -4.415 -17.175 -31.384 1.00 21.03 N ATOM 1265 CA LEU A 82 -4.493 -16.597 -32.721 1.00 12.12 C ATOM 1266 C LEU A 82 -3.163 -15.965 -33.119 1.00 55.34 C ATOM 1267 O LEU A 82 -2.663 -16.191 -34.221 1.00 41.42 O ATOM 1268 CB LEU A 82 -5.607 -15.550 -32.781 1.00 21.02 C ATOM 1269 CG LEU A 82 -5.750 -14.797 -34.104 1.00 4.11 C ATOM 1270 CD1 LEU A 82 -7.195 -14.819 -34.577 1.00 44.43 C ATOM 1271 CD2 LEU A 82 -5.256 -13.365 -33.958 1.00 45.04 C ATOM 0 H LEU A 82 -3.990 -16.565 -30.685 1.00 21.03 H new ATOM 0 HA LEU A 82 -4.718 -17.399 -33.424 1.00 12.12 H new ATOM 0 HB2 LEU A 82 -6.554 -16.043 -32.563 1.00 21.02 H new ATOM 0 HB3 LEU A 82 -5.437 -14.822 -31.988 1.00 21.02 H new ATOM 0 HG LEU A 82 -5.137 -15.297 -34.853 1.00 4.11 H new ATOM 0 HD11 LEU A 82 -7.277 -14.278 -35.520 1.00 44.43 H new ATOM 0 HD12 LEU A 82 -7.515 -15.851 -34.721 1.00 44.43 H new ATOM 0 HD13 LEU A 82 -7.830 -14.344 -33.829 1.00 44.43 H new ATOM 0 HD21 LEU A 82 -5.365 -12.844 -34.909 1.00 45.04 H new ATOM 0 HD22 LEU A 82 -5.843 -12.854 -33.195 1.00 45.04 H new ATOM 0 HD23 LEU A 82 -4.206 -13.370 -33.666 1.00 45.04 H new ATOM 1283 N ASP A 83 -2.596 -15.174 -32.215 1.00 42.04 N ATOM 1284 CA ASP A 83 -1.322 -14.512 -32.471 1.00 51.51 C ATOM 1285 C ASP A 83 -0.255 -14.989 -31.491 1.00 62.33 C ATOM 1286 O ASP A 83 -0.565 -15.415 -30.379 1.00 72.33 O ATOM 1287 CB ASP A 83 -1.483 -12.994 -32.369 1.00 43.14 C ATOM 1288 CG ASP A 83 -2.021 -12.382 -33.648 1.00 12.24 C ATOM 1289 OD1 ASP A 83 -1.521 -12.741 -34.734 1.00 51.14 O ATOM 1290 OD2 ASP A 83 -2.943 -11.544 -33.561 1.00 72.33 O ATOM 0 H ASP A 83 -2.998 -14.976 -31.299 1.00 42.04 H new ATOM 0 HA ASP A 83 -1.003 -14.769 -33.481 1.00 51.51 H new ATOM 0 HB2 ASP A 83 -2.156 -12.757 -31.545 1.00 43.14 H new ATOM 0 HB3 ASP A 83 -0.519 -12.544 -32.132 1.00 43.14 H new ATOM 1295 N ALA A 84 1.003 -14.916 -31.913 1.00 24.11 N ATOM 1296 CA ALA A 84 2.116 -15.340 -31.073 1.00 25.04 C ATOM 1297 C ALA A 84 2.547 -14.224 -30.127 1.00 41.45 C ATOM 1298 O ALA A 84 2.957 -14.479 -28.995 1.00 70.33 O ATOM 1299 CB ALA A 84 3.288 -15.786 -31.934 1.00 64.04 C ATOM 0 H ALA A 84 1.277 -14.567 -32.832 1.00 24.11 H new ATOM 0 HA ALA A 84 1.781 -16.184 -30.469 1.00 25.04 H new ATOM 0 HB1 ALA A 84 4.112 -16.100 -31.293 1.00 64.04 H new ATOM 0 HB2 ALA A 84 2.980 -16.621 -32.564 1.00 64.04 H new ATOM 0 HB3 ALA A 84 3.613 -14.958 -32.563 1.00 64.04 H new ATOM 1305 N SER A 85 2.452 -12.985 -30.600 1.00 42.11 N ATOM 1306 CA SER A 85 2.836 -11.829 -29.798 1.00 65.21 C ATOM 1307 C SER A 85 1.907 -11.667 -28.599 1.00 41.32 C ATOM 1308 O SER A 85 2.344 -11.303 -27.506 1.00 74.04 O ATOM 1309 CB SER A 85 2.814 -10.559 -30.651 1.00 73.53 C ATOM 1310 OG SER A 85 1.719 -10.569 -31.551 1.00 61.42 O ATOM 0 H SER A 85 2.113 -12.756 -31.534 1.00 42.11 H new ATOM 0 HA SER A 85 3.849 -11.993 -29.431 1.00 65.21 H new ATOM 0 HB2 SER A 85 2.750 -9.684 -30.004 1.00 73.53 H new ATOM 0 HB3 SER A 85 3.747 -10.475 -31.209 1.00 73.53 H new ATOM 0 HG SER A 85 1.726 -9.746 -32.084 1.00 61.42 H new ATOM 1316 N CYS A 86 0.624 -11.938 -28.812 1.00 65.50 N ATOM 1317 CA CYS A 86 -0.368 -11.822 -27.750 1.00 13.03 C ATOM 1318 C CYS A 86 -0.172 -12.912 -26.701 1.00 14.54 C ATOM 1319 O CYS A 86 -0.154 -12.636 -25.501 1.00 71.14 O ATOM 1320 CB CYS A 86 -1.780 -11.905 -28.331 1.00 73.25 C ATOM 1321 SG CYS A 86 -2.103 -10.719 -29.658 1.00 34.34 S ATOM 0 H CYS A 86 0.247 -12.239 -29.710 1.00 65.50 H new ATOM 0 HA CYS A 86 -0.237 -10.853 -27.269 1.00 13.03 H new ATOM 0 HB2 CYS A 86 -1.946 -12.913 -28.711 1.00 73.25 H new ATOM 0 HB3 CYS A 86 -2.501 -11.743 -27.530 1.00 73.25 H new ATOM 0 HG CYS A 86 -3.321 -10.868 -30.086 1.00 34.34 H new ATOM 1327 N ALA A 87 -0.028 -14.150 -27.161 1.00 1.21 N ATOM 1328 CA ALA A 87 0.167 -15.281 -26.262 1.00 51.05 C ATOM 1329 C ALA A 87 1.436 -15.112 -25.435 1.00 24.34 C ATOM 1330 O ALA A 87 1.455 -15.410 -24.240 1.00 71.13 O ATOM 1331 CB ALA A 87 0.219 -16.580 -27.053 1.00 34.01 C ATOM 0 H ALA A 87 -0.043 -14.396 -28.151 1.00 1.21 H new ATOM 0 HA ALA A 87 -0.679 -15.319 -25.576 1.00 51.05 H new ATOM 0 HB1 ALA A 87 0.365 -17.417 -26.370 1.00 34.01 H new ATOM 0 HB2 ALA A 87 -0.717 -16.714 -27.595 1.00 34.01 H new ATOM 0 HB3 ALA A 87 1.046 -16.542 -27.762 1.00 34.01 H new ATOM 1337 N VAL A 88 2.497 -14.633 -26.077 1.00 70.30 N ATOM 1338 CA VAL A 88 3.771 -14.425 -25.400 1.00 2.33 C ATOM 1339 C VAL A 88 3.675 -13.292 -24.384 1.00 14.11 C ATOM 1340 O VAL A 88 4.179 -13.401 -23.267 1.00 63.50 O ATOM 1341 CB VAL A 88 4.895 -14.105 -26.404 1.00 13.24 C ATOM 1342 CG1 VAL A 88 6.163 -13.693 -25.672 1.00 41.32 C ATOM 1343 CG2 VAL A 88 5.156 -15.299 -27.309 1.00 34.21 C ATOM 0 H VAL A 88 2.499 -14.382 -27.066 1.00 70.30 H new ATOM 0 HA VAL A 88 4.010 -15.354 -24.883 1.00 2.33 H new ATOM 0 HB VAL A 88 4.576 -13.269 -27.027 1.00 13.24 H new ATOM 0 HG11 VAL A 88 6.946 -13.471 -26.397 1.00 41.32 H new ATOM 0 HG12 VAL A 88 5.964 -12.806 -25.070 1.00 41.32 H new ATOM 0 HG13 VAL A 88 6.489 -14.506 -25.024 1.00 41.32 H new ATOM 0 HG21 VAL A 88 5.953 -15.056 -28.012 1.00 34.21 H new ATOM 0 HG22 VAL A 88 5.455 -16.155 -26.704 1.00 34.21 H new ATOM 0 HG23 VAL A 88 4.248 -15.543 -27.860 1.00 34.21 H new ATOM 1353 N ALA A 89 3.022 -12.204 -24.780 1.00 1.25 N ATOM 1354 CA ALA A 89 2.857 -11.051 -23.903 1.00 33.22 C ATOM 1355 C ALA A 89 2.107 -11.432 -22.631 1.00 34.11 C ATOM 1356 O ALA A 89 2.499 -11.047 -21.529 1.00 23.50 O ATOM 1357 CB ALA A 89 2.128 -9.933 -24.633 1.00 13.01 C ATOM 0 H ALA A 89 2.599 -12.097 -25.702 1.00 1.25 H new ATOM 0 HA ALA A 89 3.848 -10.698 -23.617 1.00 33.22 H new ATOM 0 HB1 ALA A 89 2.012 -9.078 -23.966 1.00 13.01 H new ATOM 0 HB2 ALA A 89 2.704 -9.634 -25.509 1.00 13.01 H new ATOM 0 HB3 ALA A 89 1.145 -10.284 -24.948 1.00 13.01 H new ATOM 1363 N ILE A 90 1.026 -12.189 -22.791 1.00 1.41 N ATOM 1364 CA ILE A 90 0.222 -12.621 -21.655 1.00 30.23 C ATOM 1365 C ILE A 90 0.999 -13.589 -20.768 1.00 53.40 C ATOM 1366 O ILE A 90 1.032 -13.436 -19.547 1.00 73.35 O ATOM 1367 CB ILE A 90 -1.083 -13.298 -22.114 1.00 20.22 C ATOM 1368 CG1 ILE A 90 -1.930 -12.320 -22.931 1.00 34.45 C ATOM 1369 CG2 ILE A 90 -1.865 -13.810 -20.913 1.00 63.44 C ATOM 1370 CD1 ILE A 90 -3.094 -12.976 -23.640 1.00 60.45 C ATOM 0 H ILE A 90 0.687 -12.515 -23.696 1.00 1.41 H new ATOM 0 HA ILE A 90 -0.024 -11.726 -21.084 1.00 30.23 H new ATOM 0 HB ILE A 90 -0.831 -14.148 -22.748 1.00 20.22 H new ATOM 0 HG12 ILE A 90 -2.310 -11.541 -22.270 1.00 34.45 H new ATOM 0 HG13 ILE A 90 -1.295 -11.830 -23.669 1.00 34.45 H new ATOM 0 HG21 ILE A 90 -2.785 -14.286 -21.254 1.00 63.44 H new ATOM 0 HG22 ILE A 90 -1.261 -14.536 -20.368 1.00 63.44 H new ATOM 0 HG23 ILE A 90 -2.110 -12.976 -20.256 1.00 63.44 H new ATOM 0 HD11 ILE A 90 -3.650 -12.224 -24.199 1.00 60.45 H new ATOM 0 HD12 ILE A 90 -2.720 -13.736 -24.326 1.00 60.45 H new ATOM 0 HD13 ILE A 90 -3.751 -13.442 -22.906 1.00 60.45 H new ATOM 1382 N GLU A 91 1.624 -14.583 -21.391 1.00 53.55 N ATOM 1383 CA GLU A 91 2.401 -15.574 -20.658 1.00 64.20 C ATOM 1384 C GLU A 91 3.492 -14.904 -19.827 1.00 34.35 C ATOM 1385 O GLU A 91 3.793 -15.338 -18.715 1.00 72.12 O ATOM 1386 CB GLU A 91 3.028 -16.580 -21.625 1.00 64.44 C ATOM 1387 CG GLU A 91 2.204 -17.843 -21.809 1.00 72.30 C ATOM 1388 CD GLU A 91 2.424 -18.492 -23.162 1.00 20.43 C ATOM 1389 OE1 GLU A 91 3.308 -19.369 -23.261 1.00 60.04 O ATOM 1390 OE2 GLU A 91 1.713 -18.124 -24.120 1.00 4.11 O ATOM 0 H GLU A 91 1.607 -14.723 -22.401 1.00 53.55 H new ATOM 0 HA GLU A 91 1.726 -16.101 -19.984 1.00 64.20 H new ATOM 0 HB2 GLU A 91 3.166 -16.102 -22.595 1.00 64.44 H new ATOM 0 HB3 GLU A 91 4.018 -16.852 -21.261 1.00 64.44 H new ATOM 0 HG2 GLU A 91 2.457 -18.555 -21.023 1.00 72.30 H new ATOM 0 HG3 GLU A 91 1.147 -17.603 -21.693 1.00 72.30 H new ATOM 1397 N GLU A 92 4.079 -13.845 -20.375 1.00 30.14 N ATOM 1398 CA GLU A 92 5.137 -13.116 -19.684 1.00 35.40 C ATOM 1399 C GLU A 92 4.570 -12.308 -18.520 1.00 72.13 C ATOM 1400 O GLU A 92 5.124 -12.309 -17.422 1.00 23.33 O ATOM 1401 CB GLU A 92 5.866 -12.188 -20.657 1.00 53.31 C ATOM 1402 CG GLU A 92 6.987 -11.389 -20.013 1.00 35.54 C ATOM 1403 CD GLU A 92 8.149 -11.150 -20.956 1.00 2.21 C ATOM 1404 OE1 GLU A 92 8.550 -9.978 -21.117 1.00 53.21 O ATOM 1405 OE2 GLU A 92 8.658 -12.133 -21.533 1.00 23.11 O ATOM 0 H GLU A 92 3.841 -13.473 -21.294 1.00 30.14 H new ATOM 0 HA GLU A 92 5.846 -13.843 -19.287 1.00 35.40 H new ATOM 0 HB2 GLU A 92 6.277 -12.782 -21.473 1.00 53.31 H new ATOM 0 HB3 GLU A 92 5.146 -11.498 -21.096 1.00 53.31 H new ATOM 0 HG2 GLU A 92 6.596 -10.430 -19.674 1.00 35.54 H new ATOM 0 HG3 GLU A 92 7.344 -11.918 -19.129 1.00 35.54 H new ATOM 1412 N ALA A 93 3.462 -11.618 -18.771 1.00 32.42 N ATOM 1413 CA ALA A 93 2.819 -10.807 -17.745 1.00 13.12 C ATOM 1414 C ALA A 93 2.476 -11.644 -16.517 1.00 72.35 C ATOM 1415 O ALA A 93 2.717 -11.229 -15.384 1.00 4.32 O ATOM 1416 CB ALA A 93 1.567 -10.146 -18.302 1.00 75.43 C ATOM 0 H ALA A 93 2.991 -11.605 -19.676 1.00 32.42 H new ATOM 0 HA ALA A 93 3.521 -10.031 -17.439 1.00 13.12 H new ATOM 0 HB1 ALA A 93 1.097 -9.543 -17.525 1.00 75.43 H new ATOM 0 HB2 ALA A 93 1.836 -9.507 -19.143 1.00 75.43 H new ATOM 0 HB3 ALA A 93 0.869 -10.913 -18.638 1.00 75.43 H new ATOM 1422 N ILE A 94 1.911 -12.824 -16.751 1.00 63.20 N ATOM 1423 CA ILE A 94 1.536 -13.719 -15.664 1.00 32.43 C ATOM 1424 C ILE A 94 2.763 -14.387 -15.053 1.00 20.23 C ATOM 1425 O ILE A 94 2.806 -14.647 -13.851 1.00 34.14 O ATOM 1426 CB ILE A 94 0.558 -14.808 -16.143 1.00 61.54 C ATOM 1427 CG1 ILE A 94 1.221 -15.688 -17.205 1.00 24.51 C ATOM 1428 CG2 ILE A 94 -0.713 -14.176 -16.691 1.00 4.33 C ATOM 1429 CD1 ILE A 94 0.305 -16.752 -17.767 1.00 34.42 C ATOM 0 H ILE A 94 1.703 -13.182 -17.683 1.00 63.20 H new ATOM 0 HA ILE A 94 1.044 -13.107 -14.908 1.00 32.43 H new ATOM 0 HB ILE A 94 0.291 -15.435 -15.292 1.00 61.54 H new ATOM 0 HG12 ILE A 94 1.573 -15.056 -18.020 1.00 24.51 H new ATOM 0 HG13 ILE A 94 2.098 -16.168 -16.771 1.00 24.51 H new ATOM 0 HG21 ILE A 94 -1.394 -14.959 -17.025 1.00 4.33 H new ATOM 0 HG22 ILE A 94 -1.193 -13.587 -15.909 1.00 4.33 H new ATOM 0 HG23 ILE A 94 -0.464 -13.528 -17.532 1.00 4.33 H new ATOM 0 HD11 ILE A 94 0.842 -17.337 -18.514 1.00 34.42 H new ATOM 0 HD12 ILE A 94 -0.028 -17.408 -16.962 1.00 34.42 H new ATOM 0 HD13 ILE A 94 -0.561 -16.279 -18.231 1.00 34.42 H new ATOM 1441 N GLN A 95 3.759 -14.660 -15.889 1.00 23.20 N ATOM 1442 CA GLN A 95 4.988 -15.297 -15.430 1.00 44.32 C ATOM 1443 C GLN A 95 5.743 -14.390 -14.463 1.00 73.13 C ATOM 1444 O GLN A 95 6.434 -14.865 -13.562 1.00 25.24 O ATOM 1445 CB GLN A 95 5.882 -15.647 -16.622 1.00 34.15 C ATOM 1446 CG GLN A 95 7.183 -16.326 -16.227 1.00 61.21 C ATOM 1447 CD GLN A 95 7.959 -16.840 -17.424 1.00 21.44 C ATOM 1448 OE1 GLN A 95 7.461 -17.660 -18.196 1.00 14.40 O ATOM 1449 NE2 GLN A 95 9.187 -16.361 -17.584 1.00 10.22 N ATOM 0 H GLN A 95 3.739 -14.450 -16.887 1.00 23.20 H new ATOM 0 HA GLN A 95 4.718 -16.213 -14.905 1.00 44.32 H new ATOM 0 HB2 GLN A 95 5.332 -16.300 -17.299 1.00 34.15 H new ATOM 0 HB3 GLN A 95 6.111 -14.736 -17.174 1.00 34.15 H new ATOM 0 HG2 GLN A 95 7.803 -15.621 -15.672 1.00 61.21 H new ATOM 0 HG3 GLN A 95 6.966 -17.157 -15.555 1.00 61.21 H new ATOM 0 HE21 GLN A 95 9.560 -15.683 -16.920 1.00 10.22 H new ATOM 0 HE22 GLN A 95 9.757 -16.671 -18.371 1.00 10.22 H new ATOM 1458 N LEU A 96 5.606 -13.083 -14.657 1.00 34.03 N ATOM 1459 CA LEU A 96 6.275 -12.109 -13.802 1.00 13.35 C ATOM 1460 C LEU A 96 5.422 -11.779 -12.581 1.00 32.24 C ATOM 1461 O LEU A 96 5.931 -11.677 -11.464 1.00 60.13 O ATOM 1462 CB LEU A 96 6.575 -10.831 -14.588 1.00 73.40 C ATOM 1463 CG LEU A 96 7.558 -10.974 -15.751 1.00 35.34 C ATOM 1464 CD1 LEU A 96 7.306 -9.900 -16.797 1.00 42.12 C ATOM 1465 CD2 LEU A 96 8.992 -10.906 -15.248 1.00 21.34 C ATOM 0 H LEU A 96 5.038 -12.673 -15.399 1.00 34.03 H new ATOM 0 HA LEU A 96 7.213 -12.547 -13.460 1.00 13.35 H new ATOM 0 HB2 LEU A 96 5.636 -10.439 -14.978 1.00 73.40 H new ATOM 0 HB3 LEU A 96 6.968 -10.086 -13.896 1.00 73.40 H new ATOM 0 HG LEU A 96 7.403 -11.948 -16.216 1.00 35.34 H new ATOM 0 HD11 LEU A 96 8.015 -10.017 -17.617 1.00 42.12 H new ATOM 0 HD12 LEU A 96 6.290 -9.996 -17.179 1.00 42.12 H new ATOM 0 HD13 LEU A 96 7.433 -8.916 -16.346 1.00 42.12 H new ATOM 0 HD21 LEU A 96 9.678 -11.009 -16.089 1.00 21.34 H new ATOM 0 HD22 LEU A 96 9.161 -9.947 -14.758 1.00 21.34 H new ATOM 0 HD23 LEU A 96 9.167 -11.713 -14.536 1.00 21.34 H new ATOM 1477 N TYR A 97 4.122 -11.616 -12.800 1.00 70.22 N ATOM 1478 CA TYR A 97 3.198 -11.298 -11.718 1.00 20.20 C ATOM 1479 C TYR A 97 3.218 -12.385 -10.647 1.00 43.13 C ATOM 1480 O TYR A 97 3.231 -12.093 -9.452 1.00 51.11 O ATOM 1481 CB TYR A 97 1.779 -11.131 -12.264 1.00 11.35 C ATOM 1482 CG TYR A 97 0.735 -10.936 -11.187 1.00 23.31 C ATOM 1483 CD1 TYR A 97 -0.111 -11.975 -10.816 1.00 43.45 C ATOM 1484 CD2 TYR A 97 0.594 -9.714 -10.541 1.00 23.53 C ATOM 1485 CE1 TYR A 97 -1.066 -11.802 -9.834 1.00 12.42 C ATOM 1486 CE2 TYR A 97 -0.357 -9.533 -9.556 1.00 13.21 C ATOM 1487 CZ TYR A 97 -1.185 -10.579 -9.206 1.00 72.12 C ATOM 1488 OH TYR A 97 -2.135 -10.402 -8.227 1.00 14.23 O ATOM 0 H TYR A 97 3.684 -11.699 -13.718 1.00 70.22 H new ATOM 0 HA TYR A 97 3.519 -10.360 -11.264 1.00 20.20 H new ATOM 0 HB2 TYR A 97 1.757 -10.275 -12.939 1.00 11.35 H new ATOM 0 HB3 TYR A 97 1.520 -12.010 -12.855 1.00 11.35 H new ATOM 0 HD1 TYR A 97 -0.020 -12.934 -11.304 1.00 43.45 H new ATOM 0 HD2 TYR A 97 1.239 -8.892 -10.814 1.00 23.53 H new ATOM 0 HE1 TYR A 97 -1.716 -12.619 -9.559 1.00 12.42 H new ATOM 0 HE2 TYR A 97 -0.452 -8.577 -9.062 1.00 13.21 H new ATOM 0 HH TYR A 97 -2.086 -9.485 -7.886 1.00 14.23 H new ATOM 1498 N GLU A 98 3.222 -13.640 -11.087 1.00 1.41 N ATOM 1499 CA GLU A 98 3.241 -14.771 -10.167 1.00 12.54 C ATOM 1500 C GLU A 98 4.664 -15.077 -9.710 1.00 2.11 C ATOM 1501 O GLU A 98 4.894 -16.019 -8.952 1.00 41.40 O ATOM 1502 CB GLU A 98 2.629 -16.006 -10.830 1.00 22.41 C ATOM 1503 CG GLU A 98 1.132 -15.894 -11.063 1.00 40.34 C ATOM 1504 CD GLU A 98 0.370 -17.105 -10.560 1.00 44.52 C ATOM 1505 OE1 GLU A 98 -0.317 -17.753 -11.376 1.00 75.24 O ATOM 1506 OE2 GLU A 98 0.462 -17.403 -9.351 1.00 74.33 O ATOM 0 H GLU A 98 3.212 -13.898 -12.074 1.00 1.41 H new ATOM 0 HA GLU A 98 2.647 -14.505 -9.293 1.00 12.54 H new ATOM 0 HB2 GLU A 98 3.125 -16.178 -11.785 1.00 22.41 H new ATOM 0 HB3 GLU A 98 2.827 -16.878 -10.207 1.00 22.41 H new ATOM 0 HG2 GLU A 98 0.757 -15.000 -10.564 1.00 40.34 H new ATOM 0 HG3 GLU A 98 0.943 -15.767 -12.129 1.00 40.34 H new ATOM 1513 N GLU A 99 5.615 -14.274 -10.178 1.00 22.42 N ATOM 1514 CA GLU A 99 7.016 -14.461 -9.819 1.00 1.25 C ATOM 1515 C GLU A 99 7.476 -13.380 -8.844 1.00 64.04 C ATOM 1516 O GLU A 99 8.441 -13.568 -8.104 1.00 64.33 O ATOM 1517 CB GLU A 99 7.894 -14.441 -11.072 1.00 0.24 C ATOM 1518 CG GLU A 99 9.383 -14.410 -10.771 1.00 41.50 C ATOM 1519 CD GLU A 99 10.217 -15.003 -11.890 1.00 73.11 C ATOM 1520 OE1 GLU A 99 11.324 -14.484 -12.144 1.00 12.32 O ATOM 1521 OE2 GLU A 99 9.762 -15.986 -12.512 1.00 4.01 O ATOM 0 H GLU A 99 5.441 -13.489 -10.806 1.00 22.42 H new ATOM 0 HA GLU A 99 7.114 -15.431 -9.332 1.00 1.25 H new ATOM 0 HB2 GLU A 99 7.672 -15.321 -11.675 1.00 0.24 H new ATOM 0 HB3 GLU A 99 7.635 -13.569 -11.673 1.00 0.24 H new ATOM 0 HG2 GLU A 99 9.694 -13.380 -10.598 1.00 41.50 H new ATOM 0 HG3 GLU A 99 9.575 -14.959 -9.849 1.00 41.50 H new ATOM 1528 N GLN A 100 6.779 -12.249 -8.852 1.00 51.32 N ATOM 1529 CA GLN A 100 7.117 -11.138 -7.971 1.00 13.54 C ATOM 1530 C GLN A 100 6.118 -11.030 -6.823 1.00 53.33 C ATOM 1531 O GLN A 100 6.462 -10.592 -5.725 1.00 5.31 O ATOM 1532 CB GLN A 100 7.151 -9.826 -8.758 1.00 33.41 C ATOM 1533 CG GLN A 100 8.329 -9.721 -9.713 1.00 13.41 C ATOM 1534 CD GLN A 100 9.613 -9.321 -9.014 1.00 30.25 C ATOM 1535 OE1 GLN A 100 9.600 -8.525 -8.074 1.00 63.13 O ATOM 1536 NE2 GLN A 100 10.732 -9.873 -9.469 1.00 34.55 N ATOM 0 H GLN A 100 5.977 -12.078 -9.459 1.00 51.32 H new ATOM 0 HA GLN A 100 8.105 -11.328 -7.552 1.00 13.54 H new ATOM 0 HB2 GLN A 100 6.225 -9.727 -9.324 1.00 33.41 H new ATOM 0 HB3 GLN A 100 7.187 -8.992 -8.057 1.00 33.41 H new ATOM 0 HG2 GLN A 100 8.474 -10.680 -10.211 1.00 13.41 H new ATOM 0 HG3 GLN A 100 8.099 -8.990 -10.488 1.00 13.41 H new ATOM 0 HE21 GLN A 100 10.697 -10.528 -10.250 1.00 34.55 H new ATOM 0 HE22 GLN A 100 11.627 -9.642 -9.037 1.00 34.55 H new ATOM 1545 N LEU A 101 4.879 -11.431 -7.085 1.00 33.22 N ATOM 1546 CA LEU A 101 3.828 -11.380 -6.074 1.00 3.42 C ATOM 1547 C LEU A 101 3.982 -12.518 -5.070 1.00 41.12 C ATOM 1548 O LEU A 101 3.618 -12.384 -3.902 1.00 10.33 O ATOM 1549 CB LEU A 101 2.451 -11.451 -6.736 1.00 65.24 C ATOM 1550 CG LEU A 101 1.250 -11.267 -5.809 1.00 12.11 C ATOM 1551 CD1 LEU A 101 0.950 -12.557 -5.061 1.00 1.41 C ATOM 1552 CD2 LEU A 101 1.500 -10.127 -4.832 1.00 20.30 C ATOM 0 H LEU A 101 4.577 -11.795 -7.989 1.00 33.22 H new ATOM 0 HA LEU A 101 3.918 -10.434 -5.540 1.00 3.42 H new ATOM 0 HB2 LEU A 101 2.404 -10.689 -7.514 1.00 65.24 H new ATOM 0 HB3 LEU A 101 2.358 -12.418 -7.231 1.00 65.24 H new ATOM 0 HG LEU A 101 0.382 -11.014 -6.417 1.00 12.11 H new ATOM 0 HD11 LEU A 101 0.092 -12.407 -4.406 1.00 1.41 H new ATOM 0 HD12 LEU A 101 0.726 -13.349 -5.776 1.00 1.41 H new ATOM 0 HD13 LEU A 101 1.817 -12.841 -4.464 1.00 1.41 H new ATOM 0 HD21 LEU A 101 0.634 -10.010 -4.180 1.00 20.30 H new ATOM 0 HD22 LEU A 101 2.381 -10.350 -4.230 1.00 20.30 H new ATOM 0 HD23 LEU A 101 1.664 -9.203 -5.386 1.00 20.30 H new ATOM 1564 N LYS A 102 4.526 -13.638 -5.533 1.00 72.51 N ATOM 1565 CA LYS A 102 4.732 -14.800 -4.676 1.00 70.25 C ATOM 1566 C LYS A 102 5.876 -14.558 -3.697 1.00 63.04 C ATOM 1567 O LYS A 102 5.811 -14.967 -2.539 1.00 23.52 O ATOM 1568 CB LYS A 102 5.026 -16.039 -5.525 1.00 22.41 C ATOM 1569 CG LYS A 102 4.320 -17.292 -5.037 1.00 75.30 C ATOM 1570 CD LYS A 102 3.017 -17.525 -5.784 1.00 51.41 C ATOM 1571 CE LYS A 102 3.253 -18.233 -7.109 1.00 61.11 C ATOM 1572 NZ LYS A 102 2.304 -19.363 -7.311 1.00 52.40 N ATOM 0 H LYS A 102 4.832 -13.766 -6.497 1.00 72.51 H new ATOM 0 HA LYS A 102 3.818 -14.966 -4.105 1.00 70.25 H new ATOM 0 HB2 LYS A 102 4.729 -15.842 -6.555 1.00 22.41 H new ATOM 0 HB3 LYS A 102 6.101 -16.217 -5.532 1.00 22.41 H new ATOM 0 HG2 LYS A 102 4.974 -18.154 -5.168 1.00 75.30 H new ATOM 0 HG3 LYS A 102 4.118 -17.204 -3.970 1.00 75.30 H new ATOM 0 HD2 LYS A 102 2.344 -18.120 -5.167 1.00 51.41 H new ATOM 0 HD3 LYS A 102 2.523 -16.570 -5.964 1.00 51.41 H new ATOM 0 HE2 LYS A 102 3.147 -17.519 -7.926 1.00 61.11 H new ATOM 0 HE3 LYS A 102 4.276 -18.607 -7.144 1.00 61.11 H new ATOM 0 HZ1 LYS A 102 2.497 -19.820 -8.225 1.00 52.40 H new ATOM 0 HZ2 LYS A 102 2.422 -20.057 -6.545 1.00 52.40 H new ATOM 0 HZ3 LYS A 102 1.328 -19.003 -7.304 1.00 52.40 H new ATOM 1586 N ALA A 103 6.922 -13.889 -4.171 1.00 5.01 N ATOM 1587 CA ALA A 103 8.079 -13.589 -3.336 1.00 21.40 C ATOM 1588 C ALA A 103 7.694 -12.689 -2.167 1.00 41.44 C ATOM 1589 O ALA A 103 8.312 -12.739 -1.104 1.00 50.33 O ATOM 1590 CB ALA A 103 9.176 -12.940 -4.167 1.00 13.42 C ATOM 0 H ALA A 103 6.992 -13.545 -5.129 1.00 5.01 H new ATOM 0 HA ALA A 103 8.455 -14.527 -2.929 1.00 21.40 H new ATOM 0 HB1 ALA A 103 10.034 -12.722 -3.531 1.00 13.42 H new ATOM 0 HB2 ALA A 103 9.479 -13.619 -4.964 1.00 13.42 H new ATOM 0 HB3 ALA A 103 8.802 -12.013 -4.603 1.00 13.42 H new ATOM 1596 N GLN A 104 6.671 -11.866 -2.373 1.00 12.33 N ATOM 1597 CA GLN A 104 6.205 -10.953 -1.335 1.00 43.34 C ATOM 1598 C GLN A 104 4.939 -11.483 -0.672 1.00 15.10 C ATOM 1599 O GLN A 104 4.185 -10.728 -0.059 1.00 11.24 O ATOM 1600 CB GLN A 104 5.944 -9.566 -1.927 1.00 33.44 C ATOM 1601 CG GLN A 104 7.044 -9.085 -2.858 1.00 3.51 C ATOM 1602 CD GLN A 104 6.710 -7.763 -3.522 1.00 70.41 C ATOM 1603 OE1 GLN A 104 6.108 -6.882 -2.909 1.00 11.35 O ATOM 1604 NE2 GLN A 104 7.100 -7.619 -4.783 1.00 71.12 N ATOM 0 H GLN A 104 6.149 -11.812 -3.248 1.00 12.33 H new ATOM 0 HA GLN A 104 6.984 -10.876 -0.577 1.00 43.34 H new ATOM 0 HB2 GLN A 104 5.000 -9.585 -2.472 1.00 33.44 H new ATOM 0 HB3 GLN A 104 5.828 -8.849 -1.114 1.00 33.44 H new ATOM 0 HG2 GLN A 104 7.971 -8.980 -2.295 1.00 3.51 H new ATOM 0 HG3 GLN A 104 7.220 -9.838 -3.626 1.00 3.51 H new ATOM 0 HE21 GLN A 104 7.597 -8.376 -5.253 1.00 71.12 H new ATOM 0 HE22 GLN A 104 6.903 -6.751 -5.282 1.00 71.12 H new ATOM 1613 N ALA A 105 4.711 -12.786 -0.800 1.00 15.03 N ATOM 1614 CA ALA A 105 3.536 -13.417 -0.211 1.00 71.32 C ATOM 1615 C ALA A 105 3.930 -14.370 0.913 1.00 52.42 C ATOM 1616 O ALA A 105 3.197 -15.305 1.232 1.00 25.20 O ATOM 1617 CB ALA A 105 2.744 -14.157 -1.279 1.00 15.11 C ATOM 0 H ALA A 105 5.324 -13.425 -1.306 1.00 15.03 H new ATOM 0 HA ALA A 105 2.908 -12.634 0.215 1.00 71.32 H new ATOM 0 HB1 ALA A 105 1.869 -14.623 -0.826 1.00 15.11 H new ATOM 0 HB2 ALA A 105 2.423 -13.453 -2.047 1.00 15.11 H new ATOM 0 HB3 ALA A 105 3.372 -14.925 -1.731 1.00 15.11 H new ATOM 1623 N GLY A 106 5.093 -14.125 1.510 1.00 54.04 N ATOM 1624 CA GLY A 106 5.564 -14.970 2.591 1.00 34.30 C ATOM 1625 C GLY A 106 6.537 -16.031 2.116 1.00 2.31 C ATOM 1626 O GLY A 106 7.365 -16.514 2.888 1.00 52.34 O ATOM 0 H GLY A 106 5.717 -13.356 1.264 1.00 54.04 H new ATOM 0 HA2 GLY A 106 6.047 -14.351 3.348 1.00 34.30 H new ATOM 0 HA3 GLY A 106 4.711 -15.452 3.070 1.00 34.30 H new ATOM 1630 N GLY A 107 6.437 -16.395 0.841 1.00 24.43 N ATOM 1631 CA GLY A 107 7.321 -17.404 0.287 1.00 20.52 C ATOM 1632 C GLY A 107 6.592 -18.688 -0.056 1.00 31.30 C ATOM 1633 O GLY A 107 6.871 -19.743 0.516 1.00 2.40 O ATOM 0 H GLY A 107 5.760 -16.009 0.182 1.00 24.43 H new ATOM 0 HA2 GLY A 107 7.799 -17.011 -0.610 1.00 20.52 H new ATOM 0 HA3 GLY A 107 8.114 -17.620 1.003 1.00 20.52 H new ATOM 1637 N THR A 108 5.652 -18.601 -0.992 1.00 60.43 N ATOM 1638 CA THR A 108 4.878 -19.764 -1.409 1.00 23.01 C ATOM 1639 C THR A 108 3.984 -20.263 -0.279 1.00 64.14 C ATOM 1640 O THR A 108 4.142 -21.385 0.200 1.00 4.10 O ATOM 1641 CB THR A 108 5.795 -20.913 -1.869 1.00 32.30 C ATOM 1642 OG1 THR A 108 6.966 -20.383 -2.501 1.00 34.45 O ATOM 1643 CG2 THR A 108 5.065 -21.834 -2.835 1.00 35.55 C ATOM 0 H THR A 108 5.408 -17.737 -1.476 1.00 60.43 H new ATOM 0 HA THR A 108 4.257 -19.447 -2.247 1.00 23.01 H new ATOM 0 HB THR A 108 6.086 -21.490 -0.991 1.00 32.30 H new ATOM 0 HG1 THR A 108 7.544 -21.120 -2.789 1.00 34.45 H new ATOM 0 HG21 THR A 108 5.732 -22.638 -3.146 1.00 35.55 H new ATOM 0 HG22 THR A 108 4.191 -22.259 -2.342 1.00 35.55 H new ATOM 0 HG23 THR A 108 4.748 -21.266 -3.710 1.00 35.55 H new ATOM 1651 N ASN A 109 3.045 -19.422 0.141 1.00 72.31 N ATOM 1652 CA ASN A 109 2.125 -19.779 1.215 1.00 71.11 C ATOM 1653 C ASN A 109 2.887 -20.242 2.453 1.00 43.02 C ATOM 1654 O ASN A 109 2.448 -21.147 3.161 1.00 11.25 O ATOM 1655 CB ASN A 109 1.168 -20.879 0.751 1.00 60.03 C ATOM 1656 CG ASN A 109 0.514 -20.553 -0.578 1.00 62.53 C ATOM 1657 OD1 ASN A 109 -0.349 -19.679 -0.661 1.00 21.54 O ATOM 1658 ND2 ASN A 109 0.924 -21.258 -1.627 1.00 54.42 N ATOM 0 H ASN A 109 2.901 -18.489 -0.245 1.00 72.31 H new ATOM 0 HA ASN A 109 1.549 -18.891 1.475 1.00 71.11 H new ATOM 0 HB2 ASN A 109 1.714 -21.819 0.664 1.00 60.03 H new ATOM 0 HB3 ASN A 109 0.396 -21.028 1.506 1.00 60.03 H new ATOM 0 HD21 ASN A 109 0.521 -21.084 -2.548 1.00 54.42 H new ATOM 0 HD22 ASN A 109 1.642 -21.973 -1.512 1.00 54.42 H new ATOM 1665 N GLU A 110 4.031 -19.614 2.706 1.00 42.21 N ATOM 1666 CA GLU A 110 4.854 -19.962 3.858 1.00 3.11 C ATOM 1667 C GLU A 110 5.062 -18.751 4.764 1.00 65.43 C ATOM 1668 O GLU A 110 4.462 -18.654 5.833 1.00 24.15 O ATOM 1669 CB GLU A 110 6.208 -20.508 3.399 1.00 20.25 C ATOM 1670 CG GLU A 110 6.842 -21.473 4.388 1.00 55.12 C ATOM 1671 CD GLU A 110 8.317 -21.199 4.607 1.00 53.41 C ATOM 1672 OE1 GLU A 110 9.069 -21.172 3.610 1.00 11.33 O ATOM 1673 OE2 GLU A 110 8.719 -21.011 5.774 1.00 31.10 O ATOM 0 H GLU A 110 4.409 -18.862 2.129 1.00 42.21 H new ATOM 0 HA GLU A 110 4.333 -20.733 4.425 1.00 3.11 H new ATOM 0 HB2 GLU A 110 6.081 -21.013 2.442 1.00 20.25 H new ATOM 0 HB3 GLU A 110 6.889 -19.674 3.231 1.00 20.25 H new ATOM 0 HG2 GLU A 110 6.318 -21.406 5.342 1.00 55.12 H new ATOM 0 HG3 GLU A 110 6.716 -22.493 4.026 1.00 55.12 H new TER 1680 GLU A 110