USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 728 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 39 GLN : amide:sc= -7.39! C(o=-7.4!,f=-4.5!) USER MOD Set 1.2: A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 154:sc= -0.482 (180deg=-1.57!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -3.87! C(o=-3.9!,f=-4.6!) USER MOD Single : A 22 CYS SG : rot 23:sc= 0.072 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.329 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= -1.23 USER MOD Single : A 31 GLN : amide:sc= -6.59! C(o=-6.6!,f=-13!) USER MOD Single : A 47 TYR OH : rot 49:sc= 0.172 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 62:sc= 0.0778 USER MOD Single : A 59 HIS : no HD1:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -3.81! C(o=-3.8!,f=-3.3!) USER MOD Single : A 65 ASN : amide:sc= -0.245 X(o=-0.24,f=-0.46) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -1.6 K(o=-1.6,f=-2.2) USER MOD Single : A 72 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.0803) USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -1.63 K(o=-1.6,f=-0.72) USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 90 SER OG : rot -130:sc= -0.692 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.077 4.699 -16.042 1.00 0.00 N ATOM 2 CA GLY A 1 1.435 5.181 -15.864 1.00 0.00 C ATOM 3 C GLY A 1 1.963 4.923 -14.466 1.00 0.00 C ATOM 4 O GLY A 1 1.674 5.678 -13.538 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.238 4.899 -17.013 1.00 0.00 H new ATOM 0 H2 GLY A 1 0.048 3.673 -15.873 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.553 5.179 -15.368 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.087 4.697 -16.591 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.467 6.251 -16.070 1.00 0.00 H new ATOM 8 N SER A 2 2.737 3.853 -14.316 1.00 0.00 N ATOM 9 CA SER A 2 3.302 3.495 -13.020 1.00 0.00 C ATOM 10 C SER A 2 4.102 4.655 -12.437 1.00 0.00 C ATOM 11 O SER A 2 3.870 5.076 -11.303 1.00 0.00 O ATOM 12 CB SER A 2 4.195 2.260 -13.154 1.00 0.00 C ATOM 13 OG SER A 2 4.444 1.672 -11.889 1.00 0.00 O ATOM 0 H SER A 2 2.987 3.219 -15.075 1.00 0.00 H new ATOM 0 HA SER A 2 2.479 3.268 -12.342 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.718 1.532 -13.810 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.139 2.539 -13.621 1.00 0.00 H new ATOM 0 HG SER A 2 5.015 0.884 -12.001 1.00 0.00 H new ATOM 19 N SER A 3 5.046 5.168 -13.220 1.00 0.00 N ATOM 20 CA SER A 3 5.884 6.277 -12.781 1.00 0.00 C ATOM 21 C SER A 3 5.045 7.525 -12.526 1.00 0.00 C ATOM 22 O SER A 3 4.025 7.744 -13.178 1.00 0.00 O ATOM 23 CB SER A 3 6.959 6.577 -13.827 1.00 0.00 C ATOM 24 OG SER A 3 7.943 7.457 -13.311 1.00 0.00 O ATOM 0 H SER A 3 5.249 4.833 -14.162 1.00 0.00 H new ATOM 0 HA SER A 3 6.366 5.987 -11.847 1.00 0.00 H new ATOM 0 HB2 SER A 3 7.430 5.647 -14.146 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.498 7.020 -14.710 1.00 0.00 H new ATOM 0 HG SER A 3 8.619 7.631 -13.999 1.00 0.00 H new ATOM 30 N GLY A 4 5.482 8.340 -11.571 1.00 0.00 N ATOM 31 CA GLY A 4 4.760 9.556 -11.245 1.00 0.00 C ATOM 32 C GLY A 4 5.587 10.517 -10.414 1.00 0.00 C ATOM 33 O GLY A 4 6.607 10.133 -9.841 1.00 0.00 O ATOM 0 H GLY A 4 6.323 8.180 -11.017 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.452 10.050 -12.167 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.851 9.300 -10.701 1.00 0.00 H new ATOM 37 N SER A 5 5.148 11.770 -10.348 1.00 0.00 N ATOM 38 CA SER A 5 5.858 12.789 -9.585 1.00 0.00 C ATOM 39 C SER A 5 5.743 12.526 -8.087 1.00 0.00 C ATOM 40 O SER A 5 5.056 11.598 -7.660 1.00 0.00 O ATOM 41 CB SER A 5 5.307 14.178 -9.914 1.00 0.00 C ATOM 42 OG SER A 5 5.769 14.624 -11.177 1.00 0.00 O ATOM 0 H SER A 5 4.304 12.103 -10.814 1.00 0.00 H new ATOM 0 HA SER A 5 6.911 12.748 -9.863 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.217 14.150 -9.911 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.610 14.885 -9.142 1.00 0.00 H new ATOM 0 HG SER A 5 5.401 15.513 -11.365 1.00 0.00 H new ATOM 48 N SER A 6 6.420 13.349 -7.293 1.00 0.00 N ATOM 49 CA SER A 6 6.398 13.204 -5.843 1.00 0.00 C ATOM 50 C SER A 6 5.031 12.722 -5.366 1.00 0.00 C ATOM 51 O SER A 6 4.026 13.413 -5.529 1.00 0.00 O ATOM 52 CB SER A 6 6.746 14.533 -5.170 1.00 0.00 C ATOM 53 OG SER A 6 7.995 15.024 -5.626 1.00 0.00 O ATOM 0 H SER A 6 6.991 14.124 -7.630 1.00 0.00 H new ATOM 0 HA SER A 6 7.144 12.459 -5.566 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.966 15.265 -5.379 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.777 14.400 -4.089 1.00 0.00 H new ATOM 0 HG SER A 6 8.194 15.875 -5.182 1.00 0.00 H new ATOM 59 N GLY A 7 5.002 11.531 -4.776 1.00 0.00 N ATOM 60 CA GLY A 7 3.755 10.976 -4.285 1.00 0.00 C ATOM 61 C GLY A 7 3.501 11.319 -2.830 1.00 0.00 C ATOM 62 O GLY A 7 3.929 12.367 -2.349 1.00 0.00 O ATOM 0 H GLY A 7 5.821 10.940 -4.629 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.931 11.349 -4.892 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.772 9.892 -4.402 1.00 0.00 H new ATOM 66 N MET A 8 2.800 10.434 -2.129 1.00 0.00 N ATOM 67 CA MET A 8 2.489 10.649 -0.720 1.00 0.00 C ATOM 68 C MET A 8 2.882 9.434 0.115 1.00 0.00 C ATOM 69 O MET A 8 3.201 8.376 -0.426 1.00 0.00 O ATOM 70 CB MET A 8 0.998 10.944 -0.544 1.00 0.00 C ATOM 71 CG MET A 8 0.461 11.970 -1.529 1.00 0.00 C ATOM 72 SD MET A 8 -1.257 12.411 -1.204 1.00 0.00 S ATOM 73 CE MET A 8 -1.198 12.726 0.559 1.00 0.00 C ATOM 0 H MET A 8 2.437 9.562 -2.513 1.00 0.00 H new ATOM 0 HA MET A 8 3.065 11.507 -0.373 1.00 0.00 H new ATOM 0 HB2 MET A 8 0.437 10.016 -0.656 1.00 0.00 H new ATOM 0 HB3 MET A 8 0.824 11.301 0.471 1.00 0.00 H new ATOM 0 HG2 MET A 8 1.077 12.868 -1.485 1.00 0.00 H new ATOM 0 HG3 MET A 8 0.546 11.575 -2.541 1.00 0.00 H new ATOM 0 HE1 MET A 8 -1.992 13.421 0.831 1.00 0.00 H new ATOM 0 HE2 MET A 8 -1.334 11.790 1.101 1.00 0.00 H new ATOM 0 HE3 MET A 8 -0.232 13.159 0.819 1.00 0.00 H new ATOM 83 N GLU A 9 2.855 9.595 1.434 1.00 0.00 N ATOM 84 CA GLU A 9 3.209 8.511 2.342 1.00 0.00 C ATOM 85 C GLU A 9 1.971 7.964 3.047 1.00 0.00 C ATOM 86 O GLU A 9 1.146 8.725 3.556 1.00 0.00 O ATOM 87 CB GLU A 9 4.227 8.995 3.378 1.00 0.00 C ATOM 88 CG GLU A 9 5.479 9.598 2.764 1.00 0.00 C ATOM 89 CD GLU A 9 5.257 11.009 2.253 1.00 0.00 C ATOM 90 OE1 GLU A 9 5.342 11.955 3.064 1.00 0.00 O ATOM 91 OE2 GLU A 9 4.997 11.166 1.042 1.00 0.00 O ATOM 0 H GLU A 9 2.592 10.465 1.897 1.00 0.00 H new ATOM 0 HA GLU A 9 3.654 7.709 1.752 1.00 0.00 H new ATOM 0 HB2 GLU A 9 3.754 9.737 4.021 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.512 8.157 4.014 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.276 9.606 3.507 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.816 8.967 1.942 1.00 0.00 H new ATOM 98 N LEU A 10 1.847 6.642 3.073 1.00 0.00 N ATOM 99 CA LEU A 10 0.709 5.992 3.714 1.00 0.00 C ATOM 100 C LEU A 10 1.164 5.139 4.894 1.00 0.00 C ATOM 101 O LEU A 10 2.066 4.311 4.765 1.00 0.00 O ATOM 102 CB LEU A 10 -0.044 5.125 2.704 1.00 0.00 C ATOM 103 CG LEU A 10 -1.545 4.962 2.947 1.00 0.00 C ATOM 104 CD1 LEU A 10 -2.226 6.320 3.011 1.00 0.00 C ATOM 105 CD2 LEU A 10 -2.171 4.100 1.861 1.00 0.00 C ATOM 0 H LEU A 10 2.521 5.999 2.658 1.00 0.00 H new ATOM 0 HA LEU A 10 0.041 6.768 4.086 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.099 5.552 1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.412 4.135 2.694 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.686 4.462 3.905 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.293 6.184 3.184 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.798 6.904 3.826 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.076 6.847 2.069 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.239 3.995 2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.019 4.571 0.890 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.704 3.115 1.863 1.00 0.00 H new ATOM 117 N LYS A 11 0.531 5.346 6.045 1.00 0.00 N ATOM 118 CA LYS A 11 0.867 4.594 7.248 1.00 0.00 C ATOM 119 C LYS A 11 -0.088 3.421 7.441 1.00 0.00 C ATOM 120 O LYS A 11 -1.227 3.599 7.873 1.00 0.00 O ATOM 121 CB LYS A 11 0.822 5.509 8.474 1.00 0.00 C ATOM 122 CG LYS A 11 1.836 6.639 8.428 1.00 0.00 C ATOM 123 CD LYS A 11 2.017 7.283 9.792 1.00 0.00 C ATOM 124 CE LYS A 11 3.086 6.571 10.607 1.00 0.00 C ATOM 125 NZ LYS A 11 3.123 7.054 12.015 1.00 0.00 N ATOM 0 H LYS A 11 -0.217 6.028 6.169 1.00 0.00 H new ATOM 0 HA LYS A 11 1.877 4.201 7.131 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.178 5.933 8.564 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.996 4.912 9.369 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.794 6.255 8.076 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.511 7.392 7.710 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.291 8.331 9.667 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.071 7.263 10.334 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.896 5.498 10.596 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.060 6.727 10.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 3.864 6.545 12.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.329 8.073 12.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.202 6.882 12.465 1.00 0.00 H new ATOM 139 N VAL A 12 0.383 2.220 7.119 1.00 0.00 N ATOM 140 CA VAL A 12 -0.429 1.017 7.259 1.00 0.00 C ATOM 141 C VAL A 12 0.269 -0.017 8.135 1.00 0.00 C ATOM 142 O VAL A 12 1.429 -0.359 7.905 1.00 0.00 O ATOM 143 CB VAL A 12 -0.740 0.388 5.888 1.00 0.00 C ATOM 144 CG1 VAL A 12 -1.757 -0.735 6.035 1.00 0.00 C ATOM 145 CG2 VAL A 12 -1.239 1.446 4.917 1.00 0.00 C ATOM 0 H VAL A 12 1.323 2.055 6.759 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.364 1.318 7.732 1.00 0.00 H new ATOM 0 HB VAL A 12 0.180 -0.036 5.485 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.965 -1.168 5.057 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.356 -1.505 6.695 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.679 -0.338 6.459 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.454 0.983 3.954 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.147 1.902 5.311 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.474 2.212 4.789 1.00 0.00 H new ATOM 155 N TRP A 13 -0.446 -0.513 9.138 1.00 0.00 N ATOM 156 CA TRP A 13 0.105 -1.510 10.049 1.00 0.00 C ATOM 157 C TRP A 13 0.423 -2.805 9.311 1.00 0.00 C ATOM 158 O TRP A 13 -0.433 -3.369 8.630 1.00 0.00 O ATOM 159 CB TRP A 13 -0.876 -1.786 11.189 1.00 0.00 C ATOM 160 CG TRP A 13 -0.995 -0.649 12.159 1.00 0.00 C ATOM 161 CD1 TRP A 13 -1.970 0.307 12.185 1.00 0.00 C ATOM 162 CD2 TRP A 13 -0.108 -0.350 13.241 1.00 0.00 C ATOM 163 NE1 TRP A 13 -1.742 1.183 13.218 1.00 0.00 N ATOM 164 CE2 TRP A 13 -0.606 0.802 13.882 1.00 0.00 C ATOM 165 CE3 TRP A 13 1.058 -0.943 13.733 1.00 0.00 C ATOM 166 CZ2 TRP A 13 0.023 1.370 14.987 1.00 0.00 C ATOM 167 CZ3 TRP A 13 1.682 -0.377 14.829 1.00 0.00 C ATOM 168 CH2 TRP A 13 1.163 0.769 15.447 1.00 0.00 C ATOM 0 H TRP A 13 -1.408 -0.242 9.341 1.00 0.00 H new ATOM 0 HA TRP A 13 1.032 -1.114 10.464 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -1.859 -2.000 10.769 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -0.557 -2.680 11.725 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -2.799 0.366 11.495 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -2.324 1.987 13.453 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.464 -1.828 13.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -0.375 2.254 15.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.585 -0.826 15.216 1.00 0.00 H new ATOM 0 HH2 TRP A 13 1.673 1.186 16.303 1.00 0.00 H new ATOM 179 N VAL A 14 1.660 -3.272 9.449 1.00 0.00 N ATOM 180 CA VAL A 14 2.090 -4.503 8.796 1.00 0.00 C ATOM 181 C VAL A 14 2.651 -5.495 9.808 1.00 0.00 C ATOM 182 O VAL A 14 3.778 -5.346 10.281 1.00 0.00 O ATOM 183 CB VAL A 14 3.158 -4.224 7.721 1.00 0.00 C ATOM 184 CG1 VAL A 14 3.824 -5.518 7.282 1.00 0.00 C ATOM 185 CG2 VAL A 14 2.541 -3.502 6.533 1.00 0.00 C ATOM 0 H VAL A 14 2.382 -2.816 10.007 1.00 0.00 H new ATOM 0 HA VAL A 14 1.209 -4.933 8.320 1.00 0.00 H new ATOM 0 HB VAL A 14 3.923 -3.578 8.152 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.575 -5.301 6.523 1.00 0.00 H new ATOM 0 HG12 VAL A 14 4.302 -5.991 8.140 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.073 -6.191 6.868 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.309 -3.313 5.783 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.755 -4.121 6.099 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.116 -2.554 6.864 1.00 0.00 H new ATOM 195 N ASP A 15 1.858 -6.510 10.135 1.00 0.00 N ATOM 196 CA ASP A 15 2.276 -7.529 11.091 1.00 0.00 C ATOM 197 C ASP A 15 2.625 -6.902 12.437 1.00 0.00 C ATOM 198 O ASP A 15 3.545 -7.349 13.121 1.00 0.00 O ATOM 199 CB ASP A 15 3.477 -8.305 10.548 1.00 0.00 C ATOM 200 CG ASP A 15 3.578 -9.699 11.136 1.00 0.00 C ATOM 201 OD1 ASP A 15 3.470 -9.831 12.373 1.00 0.00 O ATOM 202 OD2 ASP A 15 3.766 -10.658 10.359 1.00 0.00 O ATOM 0 H ASP A 15 0.923 -6.649 9.752 1.00 0.00 H new ATOM 0 HA ASP A 15 1.444 -8.218 11.237 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.400 -8.376 9.463 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.392 -7.754 10.767 1.00 0.00 H new ATOM 207 N GLY A 16 1.885 -5.862 12.810 1.00 0.00 N ATOM 208 CA GLY A 16 2.133 -5.190 14.072 1.00 0.00 C ATOM 209 C GLY A 16 3.074 -4.010 13.925 1.00 0.00 C ATOM 210 O GLY A 16 3.169 -3.167 14.817 1.00 0.00 O ATOM 0 H GLY A 16 1.118 -5.473 12.261 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.187 -4.846 14.489 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.555 -5.901 14.782 1.00 0.00 H new ATOM 214 N VAL A 17 3.774 -3.951 12.796 1.00 0.00 N ATOM 215 CA VAL A 17 4.713 -2.866 12.536 1.00 0.00 C ATOM 216 C VAL A 17 4.315 -2.082 11.291 1.00 0.00 C ATOM 217 O VAL A 17 4.197 -2.644 10.202 1.00 0.00 O ATOM 218 CB VAL A 17 6.148 -3.397 12.358 1.00 0.00 C ATOM 219 CG1 VAL A 17 6.176 -4.529 11.343 1.00 0.00 C ATOM 220 CG2 VAL A 17 7.083 -2.272 11.940 1.00 0.00 C ATOM 0 H VAL A 17 3.709 -4.641 12.048 1.00 0.00 H new ATOM 0 HA VAL A 17 4.683 -2.206 13.403 1.00 0.00 H new ATOM 0 HB VAL A 17 6.493 -3.790 13.314 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.198 -4.891 11.230 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.538 -5.343 11.688 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.812 -4.165 10.382 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.093 -2.664 11.819 1.00 0.00 H new ATOM 0 HG22 VAL A 17 6.742 -1.848 10.995 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.085 -1.497 12.706 1.00 0.00 H new ATOM 230 N GLN A 18 4.109 -0.779 11.459 1.00 0.00 N ATOM 231 CA GLN A 18 3.723 0.082 10.348 1.00 0.00 C ATOM 232 C GLN A 18 4.865 0.224 9.347 1.00 0.00 C ATOM 233 O GLN A 18 6.030 0.333 9.731 1.00 0.00 O ATOM 234 CB GLN A 18 3.308 1.461 10.864 1.00 0.00 C ATOM 235 CG GLN A 18 2.267 2.148 9.996 1.00 0.00 C ATOM 236 CD GLN A 18 1.362 3.070 10.789 1.00 0.00 C ATOM 237 OE1 GLN A 18 1.826 3.852 11.619 1.00 0.00 O ATOM 238 NE2 GLN A 18 0.061 2.983 10.537 1.00 0.00 N ATOM 0 H GLN A 18 4.203 -0.298 12.353 1.00 0.00 H new ATOM 0 HA GLN A 18 2.875 -0.379 9.842 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.915 1.358 11.875 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.191 2.096 10.929 1.00 0.00 H new ATOM 0 HG2 GLN A 18 2.770 2.721 9.217 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.661 1.393 9.496 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -0.280 2.321 9.841 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -0.597 3.579 11.040 1.00 0.00 H new ATOM 247 N ARG A 19 4.524 0.220 8.063 1.00 0.00 N ATOM 248 CA ARG A 19 5.521 0.346 7.006 1.00 0.00 C ATOM 249 C ARG A 19 5.136 1.449 6.025 1.00 0.00 C ATOM 250 O ARG A 19 4.172 1.314 5.271 1.00 0.00 O ATOM 251 CB ARG A 19 5.678 -0.982 6.263 1.00 0.00 C ATOM 252 CG ARG A 19 6.217 -2.106 7.131 1.00 0.00 C ATOM 253 CD ARG A 19 7.737 -2.119 7.146 1.00 0.00 C ATOM 254 NE ARG A 19 8.267 -2.899 8.261 1.00 0.00 N ATOM 255 CZ ARG A 19 9.521 -3.333 8.324 1.00 0.00 C ATOM 256 NH1 ARG A 19 10.369 -3.065 7.341 1.00 0.00 N ATOM 257 NH2 ARG A 19 9.929 -4.037 9.372 1.00 0.00 N ATOM 0 H ARG A 19 3.564 0.131 7.729 1.00 0.00 H new ATOM 0 HA ARG A 19 6.473 0.610 7.467 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.710 -1.279 5.859 1.00 0.00 H new ATOM 0 HB3 ARG A 19 6.347 -0.837 5.415 1.00 0.00 H new ATOM 0 HG2 ARG A 19 5.843 -1.992 8.149 1.00 0.00 H new ATOM 0 HG3 ARG A 19 5.848 -3.062 6.761 1.00 0.00 H new ATOM 0 HD2 ARG A 19 8.105 -2.533 6.207 1.00 0.00 H new ATOM 0 HD3 ARG A 19 8.108 -1.096 7.211 1.00 0.00 H new ATOM 0 HE ARG A 19 7.640 -3.123 9.034 1.00 0.00 H new ATOM 0 HH11 ARG A 19 10.059 -2.524 6.534 1.00 0.00 H new ATOM 0 HH12 ARG A 19 11.331 -3.400 7.392 1.00 0.00 H new ATOM 0 HH21 ARG A 19 9.280 -4.246 10.130 1.00 0.00 H new ATOM 0 HH22 ARG A 19 10.892 -4.370 9.419 1.00 0.00 H new ATOM 271 N ILE A 20 5.896 2.539 6.040 1.00 0.00 N ATOM 272 CA ILE A 20 5.635 3.664 5.151 1.00 0.00 C ATOM 273 C ILE A 20 6.077 3.353 3.726 1.00 0.00 C ATOM 274 O ILE A 20 7.181 2.856 3.501 1.00 0.00 O ATOM 275 CB ILE A 20 6.352 4.940 5.632 1.00 0.00 C ATOM 276 CG1 ILE A 20 5.722 5.447 6.930 1.00 0.00 C ATOM 277 CG2 ILE A 20 6.300 6.014 4.556 1.00 0.00 C ATOM 278 CD1 ILE A 20 6.548 6.502 7.631 1.00 0.00 C ATOM 0 H ILE A 20 6.697 2.667 6.658 1.00 0.00 H new ATOM 0 HA ILE A 20 4.558 3.834 5.166 1.00 0.00 H new ATOM 0 HB ILE A 20 7.397 4.700 5.828 1.00 0.00 H new ATOM 0 HG12 ILE A 20 4.736 5.856 6.710 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.574 4.605 7.606 1.00 0.00 H new ATOM 0 HG21 ILE A 20 6.811 6.909 4.911 1.00 0.00 H new ATOM 0 HG22 ILE A 20 6.791 5.649 3.654 1.00 0.00 H new ATOM 0 HG23 ILE A 20 5.261 6.254 4.331 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.040 6.815 8.543 1.00 0.00 H new ATOM 0 HD12 ILE A 20 7.526 6.091 7.883 1.00 0.00 H new ATOM 0 HD13 ILE A 20 6.674 7.362 6.973 1.00 0.00 H new ATOM 290 N VAL A 21 5.208 3.649 2.764 1.00 0.00 N ATOM 291 CA VAL A 21 5.509 3.403 1.359 1.00 0.00 C ATOM 292 C VAL A 21 5.569 4.708 0.574 1.00 0.00 C ATOM 293 O VAL A 21 4.568 5.415 0.447 1.00 0.00 O ATOM 294 CB VAL A 21 4.461 2.476 0.714 1.00 0.00 C ATOM 295 CG1 VAL A 21 4.801 2.221 -0.746 1.00 0.00 C ATOM 296 CG2 VAL A 21 4.363 1.168 1.484 1.00 0.00 C ATOM 0 H VAL A 21 4.290 4.060 2.933 1.00 0.00 H new ATOM 0 HA VAL A 21 6.484 2.916 1.324 1.00 0.00 H new ATOM 0 HB VAL A 21 3.490 2.969 0.755 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.050 1.564 -1.185 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.816 3.167 -1.287 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.781 1.748 -0.814 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.618 0.525 1.015 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.331 0.668 1.476 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.069 1.373 2.513 1.00 0.00 H new ATOM 306 N CYS A 22 6.747 5.022 0.047 1.00 0.00 N ATOM 307 CA CYS A 22 6.938 6.243 -0.727 1.00 0.00 C ATOM 308 C CYS A 22 6.482 6.050 -2.169 1.00 0.00 C ATOM 309 O CYS A 22 6.655 4.978 -2.748 1.00 0.00 O ATOM 310 CB CYS A 22 8.407 6.667 -0.696 1.00 0.00 C ATOM 311 SG CYS A 22 9.532 5.487 -1.480 1.00 0.00 S ATOM 0 H CYS A 22 7.585 4.448 0.142 1.00 0.00 H new ATOM 0 HA CYS A 22 6.331 7.028 -0.276 1.00 0.00 H new ATOM 0 HB2 CYS A 22 8.506 7.632 -1.193 1.00 0.00 H new ATOM 0 HB3 CYS A 22 8.711 6.809 0.341 1.00 0.00 H new ATOM 0 HG CYS A 22 8.873 4.760 -2.333 1.00 0.00 H new ATOM 317 N GLY A 23 5.896 7.096 -2.745 1.00 0.00 N ATOM 318 CA GLY A 23 5.422 7.020 -4.114 1.00 0.00 C ATOM 319 C GLY A 23 3.917 6.857 -4.199 1.00 0.00 C ATOM 320 O GLY A 23 3.310 7.156 -5.227 1.00 0.00 O ATOM 0 H GLY A 23 5.741 7.994 -2.287 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.717 7.923 -4.648 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.904 6.181 -4.616 1.00 0.00 H new ATOM 324 N VAL A 24 3.313 6.381 -3.115 1.00 0.00 N ATOM 325 CA VAL A 24 1.870 6.179 -3.070 1.00 0.00 C ATOM 326 C VAL A 24 1.125 7.500 -3.223 1.00 0.00 C ATOM 327 O VAL A 24 1.094 8.318 -2.304 1.00 0.00 O ATOM 328 CB VAL A 24 1.438 5.507 -1.753 1.00 0.00 C ATOM 329 CG1 VAL A 24 -0.079 5.464 -1.649 1.00 0.00 C ATOM 330 CG2 VAL A 24 2.028 4.109 -1.650 1.00 0.00 C ATOM 0 H VAL A 24 3.801 6.128 -2.256 1.00 0.00 H new ATOM 0 HA VAL A 24 1.616 5.524 -3.903 1.00 0.00 H new ATOM 0 HB VAL A 24 1.819 6.099 -0.921 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.366 4.986 -0.712 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.474 6.479 -1.674 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.485 4.896 -2.486 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.713 3.649 -0.714 1.00 0.00 H new ATOM 0 HG22 VAL A 24 1.679 3.504 -2.487 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.116 4.170 -1.676 1.00 0.00 H new ATOM 340 N THR A 25 0.524 7.702 -4.392 1.00 0.00 N ATOM 341 CA THR A 25 -0.221 8.924 -4.666 1.00 0.00 C ATOM 342 C THR A 25 -1.711 8.638 -4.815 1.00 0.00 C ATOM 343 O THR A 25 -2.127 7.482 -4.871 1.00 0.00 O ATOM 344 CB THR A 25 0.287 9.617 -5.945 1.00 0.00 C ATOM 345 OG1 THR A 25 -0.524 10.760 -6.238 1.00 0.00 O ATOM 346 CG2 THR A 25 0.265 8.658 -7.125 1.00 0.00 C ATOM 0 H THR A 25 0.539 7.035 -5.163 1.00 0.00 H new ATOM 0 HA THR A 25 -0.064 9.587 -3.815 1.00 0.00 H new ATOM 0 HB THR A 25 1.315 9.936 -5.775 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.194 11.196 -7.051 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.628 9.170 -8.016 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.906 7.803 -6.911 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.755 8.313 -7.295 1.00 0.00 H new ATOM 354 N GLU A 26 -2.510 9.699 -4.878 1.00 0.00 N ATOM 355 CA GLU A 26 -3.954 9.560 -5.020 1.00 0.00 C ATOM 356 C GLU A 26 -4.306 8.840 -6.318 1.00 0.00 C ATOM 357 O GLU A 26 -5.433 8.379 -6.500 1.00 0.00 O ATOM 358 CB GLU A 26 -4.627 10.934 -4.987 1.00 0.00 C ATOM 359 CG GLU A 26 -5.894 11.011 -5.821 1.00 0.00 C ATOM 360 CD GLU A 26 -5.615 10.978 -7.311 1.00 0.00 C ATOM 361 OE1 GLU A 26 -4.606 11.575 -7.740 1.00 0.00 O ATOM 362 OE2 GLU A 26 -6.406 10.353 -8.049 1.00 0.00 O ATOM 0 H GLU A 26 -2.181 10.664 -4.833 1.00 0.00 H new ATOM 0 HA GLU A 26 -4.320 8.964 -4.184 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -4.866 11.187 -3.954 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -3.921 11.684 -5.344 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.548 10.179 -5.559 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.431 11.928 -5.576 1.00 0.00 H new ATOM 369 N VAL A 27 -3.334 8.748 -7.219 1.00 0.00 N ATOM 370 CA VAL A 27 -3.539 8.084 -8.501 1.00 0.00 C ATOM 371 C VAL A 27 -3.387 6.573 -8.368 1.00 0.00 C ATOM 372 O VAL A 27 -4.073 5.806 -9.044 1.00 0.00 O ATOM 373 CB VAL A 27 -2.550 8.597 -9.564 1.00 0.00 C ATOM 374 CG1 VAL A 27 -2.804 7.918 -10.902 1.00 0.00 C ATOM 375 CG2 VAL A 27 -2.649 10.109 -9.697 1.00 0.00 C ATOM 0 H VAL A 27 -2.396 9.125 -7.085 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.555 8.317 -8.819 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.538 8.348 -9.244 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -2.096 8.293 -11.641 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -2.678 6.841 -10.793 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -3.820 8.133 -11.232 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.943 10.455 -10.452 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -3.661 10.383 -9.994 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.413 10.575 -8.740 1.00 0.00 H new ATOM 385 N THR A 28 -2.482 6.150 -7.491 1.00 0.00 N ATOM 386 CA THR A 28 -2.238 4.730 -7.268 1.00 0.00 C ATOM 387 C THR A 28 -3.431 4.067 -6.590 1.00 0.00 C ATOM 388 O THR A 28 -3.886 4.512 -5.536 1.00 0.00 O ATOM 389 CB THR A 28 -0.981 4.504 -6.407 1.00 0.00 C ATOM 390 OG1 THR A 28 0.152 5.129 -7.020 1.00 0.00 O ATOM 391 CG2 THR A 28 -0.711 3.018 -6.223 1.00 0.00 C ATOM 0 H THR A 28 -1.905 6.771 -6.923 1.00 0.00 H new ATOM 0 HA THR A 28 -2.084 4.278 -8.248 1.00 0.00 H new ATOM 0 HB THR A 28 -1.154 4.949 -5.427 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.947 4.982 -6.465 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.181 2.883 -5.612 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.563 2.552 -5.729 1.00 0.00 H new ATOM 0 HG23 THR A 28 -0.557 2.553 -7.197 1.00 0.00 H new ATOM 399 N THR A 29 -3.935 2.998 -7.201 1.00 0.00 N ATOM 400 CA THR A 29 -5.076 2.274 -6.656 1.00 0.00 C ATOM 401 C THR A 29 -4.682 1.481 -5.415 1.00 0.00 C ATOM 402 O THR A 29 -3.497 1.297 -5.134 1.00 0.00 O ATOM 403 CB THR A 29 -5.678 1.310 -7.696 1.00 0.00 C ATOM 404 OG1 THR A 29 -4.710 0.322 -8.067 1.00 0.00 O ATOM 405 CG2 THR A 29 -6.137 2.068 -8.933 1.00 0.00 C ATOM 0 H THR A 29 -3.570 2.615 -8.073 1.00 0.00 H new ATOM 0 HA THR A 29 -5.824 3.020 -6.386 1.00 0.00 H new ATOM 0 HB THR A 29 -6.542 0.820 -7.248 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.101 -0.288 -8.727 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.559 1.367 -9.654 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.895 2.799 -8.651 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.287 2.582 -9.381 1.00 0.00 H new ATOM 413 N CYS A 30 -5.682 1.015 -4.675 1.00 0.00 N ATOM 414 CA CYS A 30 -5.439 0.242 -3.462 1.00 0.00 C ATOM 415 C CYS A 30 -4.703 -1.055 -3.782 1.00 0.00 C ATOM 416 O CYS A 30 -3.726 -1.404 -3.121 1.00 0.00 O ATOM 417 CB CYS A 30 -6.760 -0.068 -2.757 1.00 0.00 C ATOM 418 SG CYS A 30 -7.547 1.372 -1.998 1.00 0.00 S ATOM 0 H CYS A 30 -6.668 1.159 -4.893 1.00 0.00 H new ATOM 0 HA CYS A 30 -4.813 0.840 -2.799 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.450 -0.508 -3.478 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.581 -0.819 -1.987 1.00 0.00 H new ATOM 0 HG CYS A 30 -8.658 1.010 -1.429 1.00 0.00 H new ATOM 424 N GLN A 31 -5.182 -1.766 -4.799 1.00 0.00 N ATOM 425 CA GLN A 31 -4.570 -3.026 -5.204 1.00 0.00 C ATOM 426 C GLN A 31 -3.065 -2.866 -5.389 1.00 0.00 C ATOM 427 O GLN A 31 -2.291 -3.762 -5.054 1.00 0.00 O ATOM 428 CB GLN A 31 -5.204 -3.530 -6.502 1.00 0.00 C ATOM 429 CG GLN A 31 -4.662 -4.873 -6.962 1.00 0.00 C ATOM 430 CD GLN A 31 -3.461 -4.735 -7.878 1.00 0.00 C ATOM 431 OE1 GLN A 31 -2.757 -3.726 -7.848 1.00 0.00 O ATOM 432 NE2 GLN A 31 -3.222 -5.752 -8.698 1.00 0.00 N ATOM 0 H GLN A 31 -5.991 -1.491 -5.356 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.745 -3.756 -4.414 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.282 -3.611 -6.362 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -5.039 -2.793 -7.288 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.383 -5.466 -6.091 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.449 -5.420 -7.481 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.833 -6.569 -8.689 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.428 -5.716 -9.337 1.00 0.00 H new ATOM 441 N GLU A 32 -2.658 -1.719 -5.924 1.00 0.00 N ATOM 442 CA GLU A 32 -1.244 -1.443 -6.153 1.00 0.00 C ATOM 443 C GLU A 32 -0.510 -1.232 -4.833 1.00 0.00 C ATOM 444 O GLU A 32 0.711 -1.374 -4.758 1.00 0.00 O ATOM 445 CB GLU A 32 -1.080 -0.210 -7.044 1.00 0.00 C ATOM 446 CG GLU A 32 -1.252 -0.502 -8.525 1.00 0.00 C ATOM 447 CD GLU A 32 -0.800 0.649 -9.403 1.00 0.00 C ATOM 448 OE1 GLU A 32 0.194 1.314 -9.043 1.00 0.00 O ATOM 449 OE2 GLU A 32 -1.440 0.885 -10.449 1.00 0.00 O ATOM 0 H GLU A 32 -3.286 -0.967 -6.207 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.809 -2.306 -6.656 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -1.808 0.544 -6.744 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.091 0.218 -6.879 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -0.684 -1.396 -8.784 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -2.300 -0.720 -8.729 1.00 0.00 H new ATOM 456 N VAL A 33 -1.262 -0.889 -3.792 1.00 0.00 N ATOM 457 CA VAL A 33 -0.684 -0.658 -2.473 1.00 0.00 C ATOM 458 C VAL A 33 -0.664 -1.940 -1.649 1.00 0.00 C ATOM 459 O VAL A 33 0.388 -2.373 -1.180 1.00 0.00 O ATOM 460 CB VAL A 33 -1.463 0.423 -1.701 1.00 0.00 C ATOM 461 CG1 VAL A 33 -0.829 0.669 -0.340 1.00 0.00 C ATOM 462 CG2 VAL A 33 -1.529 1.711 -2.508 1.00 0.00 C ATOM 0 H VAL A 33 -2.273 -0.765 -3.836 1.00 0.00 H new ATOM 0 HA VAL A 33 0.339 -0.316 -2.631 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.481 0.068 -1.542 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.393 1.436 0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.839 -0.255 0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.200 1.002 -0.473 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.083 2.464 -1.947 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.519 2.072 -2.700 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.033 1.521 -3.456 1.00 0.00 H new ATOM 472 N VAL A 34 -1.835 -2.545 -1.477 1.00 0.00 N ATOM 473 CA VAL A 34 -1.953 -3.780 -0.711 1.00 0.00 C ATOM 474 C VAL A 34 -0.898 -4.795 -1.139 1.00 0.00 C ATOM 475 O VAL A 34 -0.351 -5.523 -0.310 1.00 0.00 O ATOM 476 CB VAL A 34 -3.349 -4.410 -0.871 1.00 0.00 C ATOM 477 CG1 VAL A 34 -3.723 -4.514 -2.342 1.00 0.00 C ATOM 478 CG2 VAL A 34 -3.398 -5.775 -0.202 1.00 0.00 C ATOM 0 H VAL A 34 -2.716 -2.200 -1.858 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.799 -3.518 0.336 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.078 -3.765 -0.380 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.713 -4.962 -2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.732 -3.519 -2.786 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.993 -5.136 -2.860 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.392 -6.205 -0.325 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.659 -6.432 -0.661 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.178 -5.668 0.860 1.00 0.00 H new ATOM 488 N ILE A 35 -0.617 -4.836 -2.436 1.00 0.00 N ATOM 489 CA ILE A 35 0.374 -5.760 -2.974 1.00 0.00 C ATOM 490 C ILE A 35 1.791 -5.270 -2.696 1.00 0.00 C ATOM 491 O ILE A 35 2.685 -6.062 -2.399 1.00 0.00 O ATOM 492 CB ILE A 35 0.198 -5.954 -4.492 1.00 0.00 C ATOM 493 CG1 ILE A 35 -1.195 -6.507 -4.800 1.00 0.00 C ATOM 494 CG2 ILE A 35 1.275 -6.881 -5.035 1.00 0.00 C ATOM 495 CD1 ILE A 35 -1.581 -6.394 -6.258 1.00 0.00 C ATOM 0 H ILE A 35 -1.061 -4.240 -3.135 1.00 0.00 H new ATOM 0 HA ILE A 35 0.218 -6.716 -2.474 1.00 0.00 H new ATOM 0 HB ILE A 35 0.299 -4.985 -4.982 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.235 -7.555 -4.502 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.930 -5.975 -4.196 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.138 -7.009 -6.109 1.00 0.00 H new ATOM 0 HG22 ILE A 35 2.257 -6.449 -4.844 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.203 -7.851 -4.542 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.580 -6.805 -6.403 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.574 -5.346 -6.556 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.868 -6.950 -6.867 1.00 0.00 H new ATOM 507 N ALA A 36 1.987 -3.959 -2.791 1.00 0.00 N ATOM 508 CA ALA A 36 3.294 -3.363 -2.546 1.00 0.00 C ATOM 509 C ALA A 36 3.809 -3.722 -1.156 1.00 0.00 C ATOM 510 O ALA A 36 5.013 -3.889 -0.953 1.00 0.00 O ATOM 511 CB ALA A 36 3.224 -1.852 -2.711 1.00 0.00 C ATOM 0 H ALA A 36 1.257 -3.290 -3.036 1.00 0.00 H new ATOM 0 HA ALA A 36 3.993 -3.766 -3.279 1.00 0.00 H new ATOM 0 HB1 ALA A 36 4.207 -1.420 -2.525 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.908 -1.611 -3.726 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.507 -1.441 -2.000 1.00 0.00 H new ATOM 517 N LEU A 37 2.892 -3.837 -0.202 1.00 0.00 N ATOM 518 CA LEU A 37 3.254 -4.176 1.170 1.00 0.00 C ATOM 519 C LEU A 37 3.727 -5.623 1.267 1.00 0.00 C ATOM 520 O LEU A 37 4.830 -5.895 1.740 1.00 0.00 O ATOM 521 CB LEU A 37 2.062 -3.953 2.102 1.00 0.00 C ATOM 522 CG LEU A 37 1.902 -2.538 2.661 1.00 0.00 C ATOM 523 CD1 LEU A 37 3.192 -2.076 3.321 1.00 0.00 C ATOM 524 CD2 LEU A 37 1.490 -1.573 1.559 1.00 0.00 C ATOM 0 H LEU A 37 1.893 -3.701 -0.353 1.00 0.00 H new ATOM 0 HA LEU A 37 4.073 -3.525 1.475 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.151 -4.214 1.563 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.147 -4.645 2.939 1.00 0.00 H new ATOM 0 HG LEU A 37 1.116 -2.553 3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.059 -1.068 3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.445 -2.752 4.138 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.997 -2.077 2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.381 -0.571 1.975 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.253 -1.562 0.781 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.540 -1.894 1.131 1.00 0.00 H new ATOM 536 N ALA A 38 2.885 -6.546 0.814 1.00 0.00 N ATOM 537 CA ALA A 38 3.219 -7.965 0.846 1.00 0.00 C ATOM 538 C ALA A 38 4.628 -8.210 0.319 1.00 0.00 C ATOM 539 O ALA A 38 5.403 -8.957 0.916 1.00 0.00 O ATOM 540 CB ALA A 38 2.205 -8.764 0.039 1.00 0.00 C ATOM 0 H ALA A 38 1.967 -6.337 0.421 1.00 0.00 H new ATOM 0 HA ALA A 38 3.185 -8.297 1.884 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.466 -9.822 0.071 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.211 -8.623 0.462 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.211 -8.420 -0.995 1.00 0.00 H new ATOM 546 N GLN A 39 4.954 -7.576 -0.803 1.00 0.00 N ATOM 547 CA GLN A 39 6.271 -7.727 -1.411 1.00 0.00 C ATOM 548 C GLN A 39 7.355 -7.140 -0.513 1.00 0.00 C ATOM 549 O GLN A 39 8.382 -7.772 -0.270 1.00 0.00 O ATOM 550 CB GLN A 39 6.304 -7.048 -2.781 1.00 0.00 C ATOM 551 CG GLN A 39 5.829 -7.943 -3.915 1.00 0.00 C ATOM 552 CD GLN A 39 4.648 -8.807 -3.520 1.00 0.00 C ATOM 553 OE1 GLN A 39 3.654 -8.315 -2.986 1.00 0.00 O ATOM 554 NE2 GLN A 39 4.750 -10.105 -3.783 1.00 0.00 N ATOM 0 H GLN A 39 4.325 -6.953 -1.309 1.00 0.00 H new ATOM 0 HA GLN A 39 6.466 -8.792 -1.537 1.00 0.00 H new ATOM 0 HB2 GLN A 39 5.681 -6.154 -2.749 1.00 0.00 H new ATOM 0 HB3 GLN A 39 7.322 -6.720 -2.990 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.553 -7.325 -4.769 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.651 -8.583 -4.237 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.592 -10.471 -4.227 1.00 0.00 H new ATOM 0 HE22 GLN A 39 3.986 -10.736 -3.541 1.00 0.00 H new ATOM 563 N ALA A 40 7.119 -5.927 -0.025 1.00 0.00 N ATOM 564 CA ALA A 40 8.075 -5.255 0.847 1.00 0.00 C ATOM 565 C ALA A 40 8.441 -6.132 2.040 1.00 0.00 C ATOM 566 O ALA A 40 9.600 -6.185 2.451 1.00 0.00 O ATOM 567 CB ALA A 40 7.512 -3.924 1.321 1.00 0.00 C ATOM 0 H ALA A 40 6.274 -5.389 -0.218 1.00 0.00 H new ATOM 0 HA ALA A 40 8.983 -5.069 0.274 1.00 0.00 H new ATOM 0 HB1 ALA A 40 8.236 -3.433 1.971 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.308 -3.288 0.460 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.588 -4.096 1.872 1.00 0.00 H new ATOM 573 N ILE A 41 7.445 -6.818 2.591 1.00 0.00 N ATOM 574 CA ILE A 41 7.663 -7.693 3.736 1.00 0.00 C ATOM 575 C ILE A 41 8.293 -9.013 3.307 1.00 0.00 C ATOM 576 O ILE A 41 8.957 -9.683 4.098 1.00 0.00 O ATOM 577 CB ILE A 41 6.347 -7.983 4.482 1.00 0.00 C ATOM 578 CG1 ILE A 41 5.350 -8.676 3.551 1.00 0.00 C ATOM 579 CG2 ILE A 41 5.756 -6.694 5.034 1.00 0.00 C ATOM 580 CD1 ILE A 41 4.167 -9.281 4.274 1.00 0.00 C ATOM 0 H ILE A 41 6.480 -6.785 2.263 1.00 0.00 H new ATOM 0 HA ILE A 41 8.344 -7.170 4.408 1.00 0.00 H new ATOM 0 HB ILE A 41 6.559 -8.650 5.318 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.988 -7.955 2.819 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.867 -9.460 2.998 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.826 -6.915 5.558 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.463 -6.237 5.726 1.00 0.00 H new ATOM 0 HG23 ILE A 41 5.555 -6.005 4.213 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.503 -9.755 3.551 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.519 -10.027 4.987 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.626 -8.498 4.805 1.00 0.00 H new ATOM 592 N GLY A 42 8.080 -9.383 2.047 1.00 0.00 N ATOM 593 CA GLY A 42 8.635 -10.621 1.534 1.00 0.00 C ATOM 594 C GLY A 42 7.570 -11.665 1.262 1.00 0.00 C ATOM 595 O GLY A 42 7.537 -12.262 0.186 1.00 0.00 O ATOM 0 H GLY A 42 7.533 -8.847 1.373 1.00 0.00 H new ATOM 0 HA2 GLY A 42 9.182 -10.416 0.614 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.354 -11.018 2.251 1.00 0.00 H new ATOM 599 N ARG A 43 6.698 -11.887 2.240 1.00 0.00 N ATOM 600 CA ARG A 43 5.628 -12.868 2.101 1.00 0.00 C ATOM 601 C ARG A 43 4.685 -12.487 0.964 1.00 0.00 C ATOM 602 O ARG A 43 3.860 -11.583 1.102 1.00 0.00 O ATOM 603 CB ARG A 43 4.844 -12.987 3.410 1.00 0.00 C ATOM 604 CG ARG A 43 5.658 -13.564 4.557 1.00 0.00 C ATOM 605 CD ARG A 43 5.801 -15.073 4.435 1.00 0.00 C ATOM 606 NE ARG A 43 6.828 -15.599 5.329 1.00 0.00 N ATOM 607 CZ ARG A 43 7.385 -16.796 5.184 1.00 0.00 C ATOM 608 NH1 ARG A 43 7.017 -17.586 4.185 1.00 0.00 N ATOM 609 NH2 ARG A 43 8.314 -17.205 6.039 1.00 0.00 N ATOM 0 H ARG A 43 6.711 -11.401 3.137 1.00 0.00 H new ATOM 0 HA ARG A 43 6.081 -13.832 1.867 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.478 -12.001 3.695 1.00 0.00 H new ATOM 0 HB3 ARG A 43 3.969 -13.616 3.244 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.646 -13.104 4.571 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.178 -13.318 5.505 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.846 -15.547 4.661 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.049 -15.332 3.406 1.00 0.00 H new ATOM 0 HE ARG A 43 7.135 -15.016 6.107 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.304 -17.275 3.525 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.447 -18.505 4.076 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.601 -16.600 6.808 1.00 0.00 H new ATOM 0 HH22 ARG A 43 8.741 -18.124 5.927 1.00 0.00 H new ATOM 623 N THR A 44 4.813 -13.182 -0.162 1.00 0.00 N ATOM 624 CA THR A 44 3.974 -12.917 -1.324 1.00 0.00 C ATOM 625 C THR A 44 2.626 -13.617 -1.200 1.00 0.00 C ATOM 626 O THR A 44 2.536 -14.724 -0.672 1.00 0.00 O ATOM 627 CB THR A 44 4.659 -13.372 -2.627 1.00 0.00 C ATOM 628 OG1 THR A 44 5.958 -12.780 -2.730 1.00 0.00 O ATOM 629 CG2 THR A 44 3.823 -12.990 -3.839 1.00 0.00 C ATOM 0 H THR A 44 5.490 -13.933 -0.294 1.00 0.00 H new ATOM 0 HA THR A 44 3.818 -11.839 -1.362 1.00 0.00 H new ATOM 0 HB THR A 44 4.757 -14.457 -2.601 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.387 -13.075 -3.560 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.326 -13.321 -4.747 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.845 -13.467 -3.771 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.698 -11.908 -3.868 1.00 0.00 H new ATOM 637 N GLY A 45 1.577 -12.963 -1.692 1.00 0.00 N ATOM 638 CA GLY A 45 0.247 -13.539 -1.626 1.00 0.00 C ATOM 639 C GLY A 45 -0.841 -12.516 -1.885 1.00 0.00 C ATOM 640 O GLY A 45 -0.583 -11.456 -2.457 1.00 0.00 O ATOM 0 H GLY A 45 1.625 -12.045 -2.135 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.166 -14.344 -2.357 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.096 -13.985 -0.643 1.00 0.00 H new ATOM 644 N ARG A 46 -2.062 -12.833 -1.465 1.00 0.00 N ATOM 645 CA ARG A 46 -3.193 -11.934 -1.658 1.00 0.00 C ATOM 646 C ARG A 46 -3.632 -11.321 -0.331 1.00 0.00 C ATOM 647 O ARG A 46 -4.018 -12.033 0.596 1.00 0.00 O ATOM 648 CB ARG A 46 -4.364 -12.683 -2.298 1.00 0.00 C ATOM 649 CG ARG A 46 -4.982 -13.736 -1.392 1.00 0.00 C ATOM 650 CD ARG A 46 -5.865 -14.695 -2.174 1.00 0.00 C ATOM 651 NE ARG A 46 -7.240 -14.216 -2.273 1.00 0.00 N ATOM 652 CZ ARG A 46 -7.649 -13.337 -3.181 1.00 0.00 C ATOM 653 NH1 ARG A 46 -6.791 -12.844 -4.064 1.00 0.00 N ATOM 654 NH2 ARG A 46 -8.917 -12.949 -3.208 1.00 0.00 N ATOM 0 H ARG A 46 -2.293 -13.705 -0.989 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.877 -11.131 -2.324 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.132 -11.964 -2.582 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -4.020 -13.161 -3.215 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.192 -14.294 -0.890 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.571 -13.249 -0.615 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -5.455 -14.830 -3.175 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -5.856 -15.672 -1.691 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.925 -14.576 -1.608 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.815 -13.140 -4.047 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -7.107 -12.169 -4.760 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -9.580 -13.326 -2.531 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -9.229 -12.274 -3.906 1.00 0.00 H new ATOM 668 N TYR A 47 -3.570 -9.997 -0.248 1.00 0.00 N ATOM 669 CA TYR A 47 -3.958 -9.288 0.965 1.00 0.00 C ATOM 670 C TYR A 47 -5.074 -8.288 0.679 1.00 0.00 C ATOM 671 O TYR A 47 -5.552 -8.178 -0.451 1.00 0.00 O ATOM 672 CB TYR A 47 -2.751 -8.565 1.567 1.00 0.00 C ATOM 673 CG TYR A 47 -1.630 -9.494 1.973 1.00 0.00 C ATOM 674 CD1 TYR A 47 -0.985 -10.289 1.034 1.00 0.00 C ATOM 675 CD2 TYR A 47 -1.214 -9.575 3.296 1.00 0.00 C ATOM 676 CE1 TYR A 47 0.040 -11.139 1.401 1.00 0.00 C ATOM 677 CE2 TYR A 47 -0.189 -10.422 3.672 1.00 0.00 C ATOM 678 CZ TYR A 47 0.434 -11.202 2.721 1.00 0.00 C ATOM 679 OH TYR A 47 1.456 -12.047 3.091 1.00 0.00 O ATOM 0 H TYR A 47 -3.255 -9.393 -1.007 1.00 0.00 H new ATOM 0 HA TYR A 47 -4.328 -10.022 1.681 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.371 -7.845 0.842 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -3.076 -7.998 2.439 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.290 -10.242 -0.001 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.700 -8.966 4.043 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.530 -11.751 0.658 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.122 -10.473 4.705 1.00 0.00 H new ATOM 0 HH TYR A 47 2.218 -11.924 2.487 1.00 0.00 H new ATOM 689 N THR A 48 -5.485 -7.558 1.711 1.00 0.00 N ATOM 690 CA THR A 48 -6.544 -6.566 1.573 1.00 0.00 C ATOM 691 C THR A 48 -6.331 -5.397 2.528 1.00 0.00 C ATOM 692 O THR A 48 -5.665 -5.534 3.555 1.00 0.00 O ATOM 693 CB THR A 48 -7.930 -7.184 1.838 1.00 0.00 C ATOM 694 OG1 THR A 48 -8.957 -6.299 1.377 1.00 0.00 O ATOM 695 CG2 THR A 48 -8.123 -7.465 3.320 1.00 0.00 C ATOM 0 H THR A 48 -5.100 -7.635 2.652 1.00 0.00 H new ATOM 0 HA THR A 48 -6.506 -6.204 0.546 1.00 0.00 H new ATOM 0 HB THR A 48 -7.993 -8.127 1.295 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.835 -6.700 1.547 1.00 0.00 H new ATOM 0 HG21 THR A 48 -9.109 -7.901 3.482 1.00 0.00 H new ATOM 0 HG22 THR A 48 -7.357 -8.162 3.661 1.00 0.00 H new ATOM 0 HG23 THR A 48 -8.041 -6.534 3.881 1.00 0.00 H new ATOM 703 N LEU A 49 -6.900 -4.247 2.183 1.00 0.00 N ATOM 704 CA LEU A 49 -6.773 -3.053 3.011 1.00 0.00 C ATOM 705 C LEU A 49 -8.042 -2.815 3.822 1.00 0.00 C ATOM 706 O LEU A 49 -9.152 -2.890 3.294 1.00 0.00 O ATOM 707 CB LEU A 49 -6.476 -1.832 2.138 1.00 0.00 C ATOM 708 CG LEU A 49 -5.035 -1.695 1.644 1.00 0.00 C ATOM 709 CD1 LEU A 49 -4.987 -0.887 0.357 1.00 0.00 C ATOM 710 CD2 LEU A 49 -4.164 -1.052 2.713 1.00 0.00 C ATOM 0 H LEU A 49 -7.453 -4.116 1.336 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.945 -3.208 3.703 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.135 -1.862 1.270 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.732 -0.936 2.703 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.645 -2.692 1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.954 -0.800 0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.577 -1.389 -0.410 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.395 0.108 0.536 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.142 -0.962 2.344 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.552 -0.062 2.951 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.173 -1.671 3.610 1.00 0.00 H new ATOM 722 N ILE A 50 -7.871 -2.525 5.108 1.00 0.00 N ATOM 723 CA ILE A 50 -9.003 -2.272 5.991 1.00 0.00 C ATOM 724 C ILE A 50 -8.802 -0.989 6.790 1.00 0.00 C ATOM 725 O ILE A 50 -7.813 -0.843 7.507 1.00 0.00 O ATOM 726 CB ILE A 50 -9.228 -3.442 6.967 1.00 0.00 C ATOM 727 CG1 ILE A 50 -9.406 -4.751 6.196 1.00 0.00 C ATOM 728 CG2 ILE A 50 -10.438 -3.171 7.849 1.00 0.00 C ATOM 729 CD1 ILE A 50 -9.071 -5.982 7.009 1.00 0.00 C ATOM 0 H ILE A 50 -6.960 -2.460 5.561 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.882 -2.166 5.355 1.00 0.00 H new ATOM 0 HB ILE A 50 -8.351 -3.536 7.607 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.438 -4.823 5.851 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.774 -4.729 5.308 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -10.584 -4.007 8.533 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -10.274 -2.258 8.421 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -11.324 -3.054 7.225 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -9.220 -6.873 6.399 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -8.031 -5.933 7.332 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -9.720 -6.028 7.883 1.00 0.00 H new ATOM 741 N GLU A 51 -9.747 -0.063 6.661 1.00 0.00 N ATOM 742 CA GLU A 51 -9.673 1.207 7.372 1.00 0.00 C ATOM 743 C GLU A 51 -10.348 1.107 8.737 1.00 0.00 C ATOM 744 O GLU A 51 -11.575 1.101 8.837 1.00 0.00 O ATOM 745 CB GLU A 51 -10.327 2.318 6.548 1.00 0.00 C ATOM 746 CG GLU A 51 -9.434 2.865 5.447 1.00 0.00 C ATOM 747 CD GLU A 51 -8.330 3.756 5.981 1.00 0.00 C ATOM 748 OE1 GLU A 51 -7.814 3.468 7.081 1.00 0.00 O ATOM 749 OE2 GLU A 51 -7.981 4.742 5.298 1.00 0.00 O ATOM 0 H GLU A 51 -10.572 -0.169 6.071 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.621 1.448 7.523 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.246 1.936 6.103 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.610 3.134 7.213 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.992 2.035 4.897 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.041 3.429 4.739 1.00 0.00 H new ATOM 756 N LYS A 52 -9.538 1.027 9.787 1.00 0.00 N ATOM 757 CA LYS A 52 -10.054 0.927 11.147 1.00 0.00 C ATOM 758 C LYS A 52 -10.111 2.300 11.809 1.00 0.00 C ATOM 759 O LYS A 52 -9.079 2.879 12.149 1.00 0.00 O ATOM 760 CB LYS A 52 -9.181 -0.016 11.978 1.00 0.00 C ATOM 761 CG LYS A 52 -9.574 -0.075 13.444 1.00 0.00 C ATOM 762 CD LYS A 52 -9.049 -1.335 14.112 1.00 0.00 C ATOM 763 CE LYS A 52 -9.427 -1.384 15.584 1.00 0.00 C ATOM 764 NZ LYS A 52 -9.463 -2.780 16.101 1.00 0.00 N ATOM 0 H LYS A 52 -8.520 1.029 9.722 1.00 0.00 H new ATOM 0 HA LYS A 52 -11.066 0.525 11.097 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -9.239 -1.019 11.554 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.142 0.303 11.902 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -9.184 0.802 13.962 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -10.660 -0.041 13.532 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.449 -2.212 13.603 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.964 -1.376 14.012 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.711 -0.801 16.163 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -10.403 -0.920 15.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -9.724 -2.771 17.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -10.165 -3.330 15.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.525 -3.215 15.991 1.00 0.00 H new ATOM 778 N TRP A 53 -11.322 2.814 11.990 1.00 0.00 N ATOM 779 CA TRP A 53 -11.513 4.119 12.614 1.00 0.00 C ATOM 780 C TRP A 53 -12.709 4.101 13.559 1.00 0.00 C ATOM 781 O TRP A 53 -13.739 3.496 13.260 1.00 0.00 O ATOM 782 CB TRP A 53 -11.709 5.195 11.544 1.00 0.00 C ATOM 783 CG TRP A 53 -12.136 6.518 12.103 1.00 0.00 C ATOM 784 CD1 TRP A 53 -11.347 7.431 12.743 1.00 0.00 C ATOM 785 CD2 TRP A 53 -13.455 7.075 12.074 1.00 0.00 C ATOM 786 NE1 TRP A 53 -12.096 8.522 13.113 1.00 0.00 N ATOM 787 CE2 TRP A 53 -13.392 8.328 12.714 1.00 0.00 C ATOM 788 CE3 TRP A 53 -14.682 6.637 11.568 1.00 0.00 C ATOM 789 CZ2 TRP A 53 -14.510 9.145 12.860 1.00 0.00 C ATOM 790 CZ3 TRP A 53 -15.790 7.450 11.714 1.00 0.00 C ATOM 791 CH2 TRP A 53 -15.698 8.692 12.355 1.00 0.00 C ATOM 0 H TRP A 53 -12.186 2.348 11.714 1.00 0.00 H new ATOM 0 HA TRP A 53 -10.619 4.351 13.194 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -10.777 5.325 10.994 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -12.456 4.853 10.828 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -10.290 7.313 12.931 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -11.744 9.343 13.605 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -14.763 5.681 11.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -14.442 10.103 13.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -16.743 7.122 11.327 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -16.582 9.304 12.453 1.00 0.00 H new ATOM 802 N ARG A 54 -12.567 4.768 14.700 1.00 0.00 N ATOM 803 CA ARG A 54 -13.636 4.827 15.689 1.00 0.00 C ATOM 804 C ARG A 54 -14.267 3.453 15.890 1.00 0.00 C ATOM 805 O ARG A 54 -15.491 3.315 15.896 1.00 0.00 O ATOM 806 CB ARG A 54 -14.705 5.833 15.256 1.00 0.00 C ATOM 807 CG ARG A 54 -14.371 7.270 15.618 1.00 0.00 C ATOM 808 CD ARG A 54 -14.488 7.509 17.115 1.00 0.00 C ATOM 809 NE ARG A 54 -15.878 7.632 17.543 1.00 0.00 N ATOM 810 CZ ARG A 54 -16.250 7.726 18.815 1.00 0.00 C ATOM 811 NH1 ARG A 54 -15.340 7.712 19.778 1.00 0.00 N ATOM 812 NH2 ARG A 54 -17.536 7.836 19.125 1.00 0.00 N ATOM 0 H ARG A 54 -11.722 5.275 14.962 1.00 0.00 H new ATOM 0 HA ARG A 54 -13.204 5.151 16.636 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.843 5.762 14.177 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -15.655 5.562 15.717 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.358 7.503 15.289 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.042 7.945 15.087 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.015 6.686 17.651 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.945 8.416 17.381 1.00 0.00 H new ATOM 0 HE ARG A 54 -16.604 7.647 16.826 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -14.351 7.629 19.544 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -15.629 7.784 20.754 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -18.239 7.848 18.386 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -17.821 7.908 20.102 1.00 0.00 H new ATOM 826 N ASP A 55 -13.425 2.439 16.053 1.00 0.00 N ATOM 827 CA ASP A 55 -13.899 1.075 16.255 1.00 0.00 C ATOM 828 C ASP A 55 -14.743 0.612 15.071 1.00 0.00 C ATOM 829 O ASP A 55 -15.658 -0.197 15.225 1.00 0.00 O ATOM 830 CB ASP A 55 -14.715 0.982 17.546 1.00 0.00 C ATOM 831 CG ASP A 55 -13.919 1.402 18.766 1.00 0.00 C ATOM 832 OD1 ASP A 55 -12.721 1.057 18.840 1.00 0.00 O ATOM 833 OD2 ASP A 55 -14.494 2.076 19.647 1.00 0.00 O ATOM 0 H ASP A 55 -12.410 2.536 16.049 1.00 0.00 H new ATOM 0 HA ASP A 55 -13.030 0.423 16.336 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -15.600 1.612 17.459 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -15.064 -0.042 17.679 1.00 0.00 H new ATOM 838 N THR A 56 -14.430 1.133 13.889 1.00 0.00 N ATOM 839 CA THR A 56 -15.160 0.775 12.679 1.00 0.00 C ATOM 840 C THR A 56 -14.208 0.346 11.569 1.00 0.00 C ATOM 841 O THR A 56 -13.546 1.178 10.950 1.00 0.00 O ATOM 842 CB THR A 56 -16.021 1.949 12.175 1.00 0.00 C ATOM 843 OG1 THR A 56 -16.952 2.344 13.189 1.00 0.00 O ATOM 844 CG2 THR A 56 -16.775 1.563 10.911 1.00 0.00 C ATOM 0 H THR A 56 -13.676 1.804 13.744 1.00 0.00 H new ATOM 0 HA THR A 56 -15.811 -0.060 12.938 1.00 0.00 H new ATOM 0 HB THR A 56 -15.359 2.784 11.944 1.00 0.00 H new ATOM 0 HG1 THR A 56 -16.463 2.658 13.978 1.00 0.00 H new ATOM 0 HG21 THR A 56 -17.376 2.407 10.574 1.00 0.00 H new ATOM 0 HG22 THR A 56 -16.063 1.290 10.132 1.00 0.00 H new ATOM 0 HG23 THR A 56 -17.427 0.715 11.121 1.00 0.00 H new ATOM 852 N GLU A 57 -14.144 -0.959 11.322 1.00 0.00 N ATOM 853 CA GLU A 57 -13.271 -1.498 10.286 1.00 0.00 C ATOM 854 C GLU A 57 -14.086 -2.164 9.180 1.00 0.00 C ATOM 855 O GLU A 57 -15.027 -2.909 9.452 1.00 0.00 O ATOM 856 CB GLU A 57 -12.289 -2.505 10.887 1.00 0.00 C ATOM 857 CG GLU A 57 -12.946 -3.796 11.347 1.00 0.00 C ATOM 858 CD GLU A 57 -12.007 -4.675 12.149 1.00 0.00 C ATOM 859 OE1 GLU A 57 -11.385 -4.163 13.103 1.00 0.00 O ATOM 860 OE2 GLU A 57 -11.893 -5.876 11.823 1.00 0.00 O ATOM 0 H GLU A 57 -14.686 -1.662 11.825 1.00 0.00 H new ATOM 0 HA GLU A 57 -12.710 -0.670 9.853 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.524 -2.740 10.147 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -11.781 -2.044 11.734 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -13.821 -3.558 11.952 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.301 -4.349 10.477 1.00 0.00 H new ATOM 867 N ARG A 58 -13.717 -1.888 7.934 1.00 0.00 N ATOM 868 CA ARG A 58 -14.414 -2.458 6.787 1.00 0.00 C ATOM 869 C ARG A 58 -13.460 -2.652 5.612 1.00 0.00 C ATOM 870 O ARG A 58 -12.550 -1.851 5.399 1.00 0.00 O ATOM 871 CB ARG A 58 -15.577 -1.555 6.370 1.00 0.00 C ATOM 872 CG ARG A 58 -16.494 -2.183 5.333 1.00 0.00 C ATOM 873 CD ARG A 58 -17.437 -3.196 5.963 1.00 0.00 C ATOM 874 NE ARG A 58 -18.580 -2.553 6.606 1.00 0.00 N ATOM 875 CZ ARG A 58 -19.556 -1.950 5.937 1.00 0.00 C ATOM 876 NH1 ARG A 58 -19.528 -1.908 4.612 1.00 0.00 N ATOM 877 NH2 ARG A 58 -20.563 -1.387 6.593 1.00 0.00 N ATOM 0 H ARG A 58 -12.940 -1.273 7.693 1.00 0.00 H new ATOM 0 HA ARG A 58 -14.806 -3.432 7.079 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -16.162 -1.300 7.253 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.177 -0.622 5.972 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -17.074 -1.403 4.839 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.895 -2.671 4.564 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -17.792 -3.886 5.197 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -16.893 -3.789 6.699 1.00 0.00 H new ATOM 0 HE ARG A 58 -18.631 -2.568 7.625 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -18.756 -2.339 4.104 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -20.279 -1.444 4.100 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -20.588 -1.417 7.612 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -21.312 -0.924 6.078 1.00 0.00 H new ATOM 891 N HIS A 59 -13.675 -3.722 4.853 1.00 0.00 N ATOM 892 CA HIS A 59 -12.834 -4.021 3.699 1.00 0.00 C ATOM 893 C HIS A 59 -12.998 -2.959 2.616 1.00 0.00 C ATOM 894 O HIS A 59 -14.093 -2.435 2.407 1.00 0.00 O ATOM 895 CB HIS A 59 -13.179 -5.399 3.134 1.00 0.00 C ATOM 896 CG HIS A 59 -12.738 -6.533 4.008 1.00 0.00 C ATOM 897 ND1 HIS A 59 -12.228 -7.713 3.510 1.00 0.00 N ATOM 898 CD2 HIS A 59 -12.730 -6.660 5.356 1.00 0.00 C ATOM 899 CE1 HIS A 59 -11.928 -8.519 4.513 1.00 0.00 C ATOM 900 NE2 HIS A 59 -12.223 -7.903 5.644 1.00 0.00 N ATOM 0 H HIS A 59 -14.423 -4.396 5.016 1.00 0.00 H new ATOM 0 HA HIS A 59 -11.795 -4.021 4.028 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -14.257 -5.463 2.987 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.717 -5.506 2.153 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -13.061 -5.921 6.071 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -11.513 -9.512 4.424 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -12.095 -8.288 6.580 1.00 0.00 H new ATOM 909 N LEU A 60 -11.904 -2.645 1.932 1.00 0.00 N ATOM 910 CA LEU A 60 -11.926 -1.644 0.870 1.00 0.00 C ATOM 911 C LEU A 60 -11.906 -2.307 -0.503 1.00 0.00 C ATOM 912 O LEU A 60 -11.611 -3.495 -0.626 1.00 0.00 O ATOM 913 CB LEU A 60 -10.733 -0.697 1.010 1.00 0.00 C ATOM 914 CG LEU A 60 -10.905 0.456 2.000 1.00 0.00 C ATOM 915 CD1 LEU A 60 -9.559 0.871 2.574 1.00 0.00 C ATOM 916 CD2 LEU A 60 -11.587 1.639 1.327 1.00 0.00 C ATOM 0 H LEU A 60 -10.990 -3.069 2.093 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.849 -1.071 0.963 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.864 -1.282 1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.511 -0.277 0.029 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.538 0.115 2.820 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.701 1.692 3.276 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -9.108 0.025 3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.903 1.194 1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -11.701 2.450 2.046 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.980 1.980 0.488 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -12.569 1.335 0.964 1.00 0.00 H new ATOM 928 N ALA A 61 -12.219 -1.529 -1.534 1.00 0.00 N ATOM 929 CA ALA A 61 -12.232 -2.039 -2.900 1.00 0.00 C ATOM 930 C ALA A 61 -10.841 -1.981 -3.521 1.00 0.00 C ATOM 931 O ALA A 61 -10.055 -1.070 -3.258 1.00 0.00 O ATOM 932 CB ALA A 61 -13.224 -1.256 -3.746 1.00 0.00 C ATOM 0 H ALA A 61 -12.467 -0.543 -1.449 1.00 0.00 H new ATOM 0 HA ALA A 61 -12.543 -3.083 -2.869 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.223 -1.647 -4.763 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.223 -1.354 -3.320 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -12.938 -0.204 -3.762 1.00 0.00 H new ATOM 938 N PRO A 62 -10.527 -2.974 -4.365 1.00 0.00 N ATOM 939 CA PRO A 62 -9.229 -3.058 -5.042 1.00 0.00 C ATOM 940 C PRO A 62 -9.055 -1.973 -6.099 1.00 0.00 C ATOM 941 O PRO A 62 -7.933 -1.625 -6.467 1.00 0.00 O ATOM 942 CB PRO A 62 -9.258 -4.442 -5.695 1.00 0.00 C ATOM 943 CG PRO A 62 -10.705 -4.743 -5.881 1.00 0.00 C ATOM 944 CD PRO A 62 -11.415 -4.093 -4.725 1.00 0.00 C ATOM 0 HA PRO A 62 -8.399 -2.916 -4.350 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.728 -4.441 -6.648 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.777 -5.188 -5.063 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -11.066 -4.350 -6.832 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -10.882 -5.819 -5.893 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -12.408 -3.743 -5.008 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.546 -4.785 -3.893 1.00 0.00 H new ATOM 952 N HIS A 63 -10.173 -1.441 -6.584 1.00 0.00 N ATOM 953 CA HIS A 63 -10.143 -0.394 -7.599 1.00 0.00 C ATOM 954 C HIS A 63 -10.113 0.988 -6.953 1.00 0.00 C ATOM 955 O HIS A 63 -9.649 1.954 -7.557 1.00 0.00 O ATOM 956 CB HIS A 63 -11.358 -0.514 -8.520 1.00 0.00 C ATOM 957 CG HIS A 63 -12.659 -0.619 -7.786 1.00 0.00 C ATOM 958 ND1 HIS A 63 -13.514 0.448 -7.612 1.00 0.00 N ATOM 959 CD2 HIS A 63 -13.250 -1.676 -7.180 1.00 0.00 C ATOM 960 CE1 HIS A 63 -14.574 0.054 -6.930 1.00 0.00 C ATOM 961 NE2 HIS A 63 -14.439 -1.231 -6.656 1.00 0.00 N ATOM 0 H HIS A 63 -11.110 -1.718 -6.291 1.00 0.00 H new ATOM 0 HA HIS A 63 -9.235 -0.519 -8.189 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -11.391 0.354 -9.179 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -11.237 -1.392 -9.155 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -12.859 -2.681 -7.120 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -15.409 0.677 -6.645 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -15.109 -1.800 -6.139 1.00 0.00 H new ATOM 970 N GLU A 64 -10.612 1.072 -5.724 1.00 0.00 N ATOM 971 CA GLU A 64 -10.644 2.336 -4.998 1.00 0.00 C ATOM 972 C GLU A 64 -9.233 2.789 -4.632 1.00 0.00 C ATOM 973 O GLU A 64 -8.260 2.074 -4.869 1.00 0.00 O ATOM 974 CB GLU A 64 -11.493 2.203 -3.733 1.00 0.00 C ATOM 975 CG GLU A 64 -12.988 2.286 -3.991 1.00 0.00 C ATOM 976 CD GLU A 64 -13.462 3.708 -4.220 1.00 0.00 C ATOM 977 OE1 GLU A 64 -13.270 4.225 -5.340 1.00 0.00 O ATOM 978 OE2 GLU A 64 -14.026 4.303 -3.278 1.00 0.00 O ATOM 0 H GLU A 64 -10.999 0.280 -5.211 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.091 3.087 -5.649 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -11.268 1.250 -3.253 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -11.210 2.988 -3.032 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -13.237 1.679 -4.862 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -13.524 1.861 -3.142 1.00 0.00 H new ATOM 985 N ASN A 65 -9.132 3.981 -4.053 1.00 0.00 N ATOM 986 CA ASN A 65 -7.841 4.530 -3.654 1.00 0.00 C ATOM 987 C ASN A 65 -7.825 4.857 -2.165 1.00 0.00 C ATOM 988 O ASN A 65 -8.823 5.293 -1.589 1.00 0.00 O ATOM 989 CB ASN A 65 -7.525 5.786 -4.468 1.00 0.00 C ATOM 990 CG ASN A 65 -7.431 5.504 -5.955 1.00 0.00 C ATOM 991 OD1 ASN A 65 -8.447 5.370 -6.638 1.00 0.00 O ATOM 992 ND2 ASN A 65 -6.208 5.413 -6.464 1.00 0.00 N ATOM 0 H ASN A 65 -9.928 4.585 -3.850 1.00 0.00 H new ATOM 0 HA ASN A 65 -7.078 3.777 -3.849 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.298 6.534 -4.291 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.584 6.212 -4.122 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -6.082 5.225 -7.459 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -5.394 5.531 -5.860 1.00 0.00 H new ATOM 999 N PRO A 66 -6.666 4.644 -1.524 1.00 0.00 N ATOM 1000 CA PRO A 66 -6.492 4.912 -0.093 1.00 0.00 C ATOM 1001 C PRO A 66 -6.507 6.403 0.224 1.00 0.00 C ATOM 1002 O PRO A 66 -7.167 6.840 1.167 1.00 0.00 O ATOM 1003 CB PRO A 66 -5.118 4.313 0.215 1.00 0.00 C ATOM 1004 CG PRO A 66 -4.393 4.340 -1.086 1.00 0.00 C ATOM 1005 CD PRO A 66 -5.437 4.127 -2.147 1.00 0.00 C ATOM 0 HA PRO A 66 -7.300 4.488 0.502 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -4.593 4.895 0.973 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -5.206 3.296 0.598 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -3.881 5.292 -1.228 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.632 3.560 -1.125 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -5.194 4.665 -3.064 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.533 3.074 -2.411 1.00 0.00 H new ATOM 1013 N ILE A 67 -5.775 7.179 -0.569 1.00 0.00 N ATOM 1014 CA ILE A 67 -5.706 8.621 -0.372 1.00 0.00 C ATOM 1015 C ILE A 67 -7.100 9.236 -0.313 1.00 0.00 C ATOM 1016 O ILE A 67 -7.344 10.175 0.445 1.00 0.00 O ATOM 1017 CB ILE A 67 -4.903 9.304 -1.496 1.00 0.00 C ATOM 1018 CG1 ILE A 67 -3.448 8.834 -1.471 1.00 0.00 C ATOM 1019 CG2 ILE A 67 -4.979 10.817 -1.356 1.00 0.00 C ATOM 1020 CD1 ILE A 67 -2.756 9.076 -0.147 1.00 0.00 C ATOM 0 H ILE A 67 -5.222 6.833 -1.353 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.199 8.786 0.579 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.339 9.025 -2.455 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -3.415 7.769 -1.699 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.896 9.346 -2.259 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.407 11.286 -2.157 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -6.019 11.136 -1.418 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.565 11.114 -0.393 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.728 8.718 -0.203 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.757 10.143 0.074 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.284 8.541 0.643 1.00 0.00 H new ATOM 1032 N ILE A 68 -8.012 8.699 -1.117 1.00 0.00 N ATOM 1033 CA ILE A 68 -9.383 9.193 -1.153 1.00 0.00 C ATOM 1034 C ILE A 68 -10.099 8.924 0.166 1.00 0.00 C ATOM 1035 O ILE A 68 -10.742 9.811 0.727 1.00 0.00 O ATOM 1036 CB ILE A 68 -10.183 8.547 -2.300 1.00 0.00 C ATOM 1037 CG1 ILE A 68 -9.484 8.791 -3.639 1.00 0.00 C ATOM 1038 CG2 ILE A 68 -11.602 9.095 -2.329 1.00 0.00 C ATOM 1039 CD1 ILE A 68 -9.371 10.255 -4.004 1.00 0.00 C ATOM 0 H ILE A 68 -7.826 7.922 -1.752 1.00 0.00 H new ATOM 0 HA ILE A 68 -9.327 10.269 -1.320 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.233 7.472 -2.129 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -8.485 8.356 -3.603 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -10.030 8.270 -4.425 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -12.155 8.629 -3.145 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.096 8.875 -1.383 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -11.572 10.174 -2.480 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.865 10.352 -4.965 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.368 10.691 -4.073 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.799 10.778 -3.238 1.00 0.00 H new ATOM 1051 N SER A 69 -9.983 7.694 0.656 1.00 0.00 N ATOM 1052 CA SER A 69 -10.621 7.307 1.909 1.00 0.00 C ATOM 1053 C SER A 69 -10.443 8.392 2.967 1.00 0.00 C ATOM 1054 O SER A 69 -11.414 8.852 3.570 1.00 0.00 O ATOM 1055 CB SER A 69 -10.040 5.986 2.415 1.00 0.00 C ATOM 1056 OG SER A 69 -10.220 4.952 1.463 1.00 0.00 O ATOM 0 H SER A 69 -9.453 6.948 0.205 1.00 0.00 H new ATOM 0 HA SER A 69 -11.687 7.178 1.721 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.978 6.109 2.626 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.521 5.709 3.353 1.00 0.00 H new ATOM 0 HG SER A 69 -9.839 4.118 1.809 1.00 0.00 H new ATOM 1062 N LEU A 70 -9.197 8.797 3.187 1.00 0.00 N ATOM 1063 CA LEU A 70 -8.890 9.828 4.172 1.00 0.00 C ATOM 1064 C LEU A 70 -9.466 11.176 3.747 1.00 0.00 C ATOM 1065 O LEU A 70 -10.129 11.853 4.531 1.00 0.00 O ATOM 1066 CB LEU A 70 -7.377 9.945 4.363 1.00 0.00 C ATOM 1067 CG LEU A 70 -6.764 9.040 5.432 1.00 0.00 C ATOM 1068 CD1 LEU A 70 -7.274 7.615 5.282 1.00 0.00 C ATOM 1069 CD2 LEU A 70 -5.245 9.076 5.354 1.00 0.00 C ATOM 0 H LEU A 70 -8.383 8.427 2.696 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.348 9.539 5.118 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.893 9.728 3.411 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.141 10.980 4.612 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.066 9.411 6.411 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.827 6.986 6.051 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.359 7.604 5.389 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.003 7.233 4.298 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.826 8.426 6.122 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.923 8.731 4.371 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.897 10.097 5.512 1.00 0.00 H new ATOM 1081 N ASN A 71 -9.209 11.556 2.499 1.00 0.00 N ATOM 1082 CA ASN A 71 -9.702 12.822 1.969 1.00 0.00 C ATOM 1083 C ASN A 71 -11.156 13.050 2.371 1.00 0.00 C ATOM 1084 O ASN A 71 -11.555 14.169 2.695 1.00 0.00 O ATOM 1085 CB ASN A 71 -9.573 12.846 0.445 1.00 0.00 C ATOM 1086 CG ASN A 71 -8.127 12.867 -0.012 1.00 0.00 C ATOM 1087 OD1 ASN A 71 -7.210 13.001 0.798 1.00 0.00 O ATOM 1088 ND2 ASN A 71 -7.918 12.735 -1.317 1.00 0.00 N ATOM 0 H ASN A 71 -8.663 11.005 1.837 1.00 0.00 H new ATOM 0 HA ASN A 71 -9.096 13.624 2.391 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.071 11.971 0.027 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.088 13.723 0.053 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -6.966 12.742 -1.684 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -8.709 12.626 -1.952 1.00 0.00 H new ATOM 1095 N LYS A 72 -11.945 11.981 2.349 1.00 0.00 N ATOM 1096 CA LYS A 72 -13.355 12.061 2.712 1.00 0.00 C ATOM 1097 C LYS A 72 -13.517 12.394 4.192 1.00 0.00 C ATOM 1098 O LYS A 72 -14.345 13.226 4.563 1.00 0.00 O ATOM 1099 CB LYS A 72 -14.061 10.741 2.395 1.00 0.00 C ATOM 1100 CG LYS A 72 -14.236 10.487 0.908 1.00 0.00 C ATOM 1101 CD LYS A 72 -15.305 11.387 0.310 1.00 0.00 C ATOM 1102 CE LYS A 72 -15.655 10.969 -1.110 1.00 0.00 C ATOM 1103 NZ LYS A 72 -14.493 11.104 -2.031 1.00 0.00 N ATOM 0 H LYS A 72 -11.631 11.048 2.083 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.811 12.859 2.126 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.491 9.920 2.831 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -15.040 10.738 2.873 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.289 10.655 0.395 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.505 9.443 0.746 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -16.200 11.353 0.931 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.955 12.419 0.311 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -16.000 9.935 -1.109 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -16.481 11.580 -1.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.811 11.509 -2.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.781 11.730 -1.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -14.073 10.168 -2.200 1.00 0.00 H new ATOM 1117 N TRP A 73 -12.722 11.740 5.031 1.00 0.00 N ATOM 1118 CA TRP A 73 -12.777 11.968 6.470 1.00 0.00 C ATOM 1119 C TRP A 73 -12.296 13.373 6.818 1.00 0.00 C ATOM 1120 O TRP A 73 -12.863 14.037 7.685 1.00 0.00 O ATOM 1121 CB TRP A 73 -11.929 10.929 7.205 1.00 0.00 C ATOM 1122 CG TRP A 73 -12.468 9.535 7.093 1.00 0.00 C ATOM 1123 CD1 TRP A 73 -11.892 8.483 6.441 1.00 0.00 C ATOM 1124 CD2 TRP A 73 -13.693 9.043 7.648 1.00 0.00 C ATOM 1125 NE1 TRP A 73 -12.684 7.367 6.557 1.00 0.00 N ATOM 1126 CE2 TRP A 73 -13.795 7.684 7.293 1.00 0.00 C ATOM 1127 CE3 TRP A 73 -14.713 9.618 8.411 1.00 0.00 C ATOM 1128 CZ2 TRP A 73 -14.876 6.894 7.676 1.00 0.00 C ATOM 1129 CZ3 TRP A 73 -15.785 8.833 8.790 1.00 0.00 C ATOM 1130 CH2 TRP A 73 -15.860 7.483 8.423 1.00 0.00 C ATOM 0 H TRP A 73 -12.032 11.048 4.740 1.00 0.00 H new ATOM 0 HA TRP A 73 -13.815 11.870 6.788 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -10.914 10.952 6.807 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -11.865 11.202 8.258 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -10.951 8.523 5.912 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -12.478 6.450 6.159 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -14.664 10.658 8.699 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -14.936 5.853 7.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -16.579 9.268 9.379 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -16.711 6.896 8.736 1.00 0.00 H new ATOM 1141 N GLY A 74 -11.246 13.820 6.135 1.00 0.00 N ATOM 1142 CA GLY A 74 -10.707 15.144 6.387 1.00 0.00 C ATOM 1143 C GLY A 74 -10.480 15.407 7.862 1.00 0.00 C ATOM 1144 O GLY A 74 -9.414 15.102 8.396 1.00 0.00 O ATOM 0 H GLY A 74 -10.760 13.289 5.412 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.764 15.257 5.852 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.391 15.893 5.989 1.00 0.00 H new ATOM 1148 N GLN A 75 -11.484 15.975 8.522 1.00 0.00 N ATOM 1149 CA GLN A 75 -11.387 16.280 9.944 1.00 0.00 C ATOM 1150 C GLN A 75 -10.876 15.075 10.727 1.00 0.00 C ATOM 1151 O GLN A 75 -10.068 15.215 11.645 1.00 0.00 O ATOM 1152 CB GLN A 75 -12.749 16.716 10.488 1.00 0.00 C ATOM 1153 CG GLN A 75 -13.848 15.688 10.272 1.00 0.00 C ATOM 1154 CD GLN A 75 -15.180 16.129 10.845 1.00 0.00 C ATOM 1155 OE1 GLN A 75 -15.233 16.829 11.856 1.00 0.00 O ATOM 1156 NE2 GLN A 75 -16.266 15.721 10.199 1.00 0.00 N ATOM 0 H GLN A 75 -12.374 16.233 8.095 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.676 17.097 10.066 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -12.657 16.918 11.555 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -13.039 17.652 10.010 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -13.960 15.501 9.204 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -13.553 14.745 10.732 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -16.175 15.142 9.364 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -17.191 15.987 10.537 1.00 0.00 H new ATOM 1165 N TYR A 76 -11.353 13.891 10.357 1.00 0.00 N ATOM 1166 CA TYR A 76 -10.946 12.661 11.026 1.00 0.00 C ATOM 1167 C TYR A 76 -10.206 11.737 10.065 1.00 0.00 C ATOM 1168 O TYR A 76 -10.403 10.522 10.078 1.00 0.00 O ATOM 1169 CB TYR A 76 -12.167 11.943 11.604 1.00 0.00 C ATOM 1170 CG TYR A 76 -12.908 12.750 12.646 1.00 0.00 C ATOM 1171 CD1 TYR A 76 -12.234 13.325 13.716 1.00 0.00 C ATOM 1172 CD2 TYR A 76 -14.282 12.936 12.561 1.00 0.00 C ATOM 1173 CE1 TYR A 76 -12.906 14.063 14.671 1.00 0.00 C ATOM 1174 CE2 TYR A 76 -14.963 13.673 13.511 1.00 0.00 C ATOM 1175 CZ TYR A 76 -14.271 14.234 14.564 1.00 0.00 C ATOM 1176 OH TYR A 76 -14.945 14.968 15.512 1.00 0.00 O ATOM 0 H TYR A 76 -12.021 13.757 9.598 1.00 0.00 H new ATOM 0 HA TYR A 76 -10.270 12.926 11.839 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -12.852 11.698 10.792 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -11.847 11.000 12.047 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -11.166 13.193 13.803 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -14.827 12.497 11.738 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -12.366 14.503 15.496 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -16.031 13.809 13.429 1.00 0.00 H new ATOM 0 HH TYR A 76 -15.899 14.993 15.289 1.00 0.00 H new ATOM 1186 N ALA A 77 -9.352 12.322 9.231 1.00 0.00 N ATOM 1187 CA ALA A 77 -8.579 11.553 8.264 1.00 0.00 C ATOM 1188 C ALA A 77 -7.393 10.865 8.932 1.00 0.00 C ATOM 1189 O ALA A 77 -7.223 9.651 8.818 1.00 0.00 O ATOM 1190 CB ALA A 77 -8.102 12.452 7.134 1.00 0.00 C ATOM 0 H ALA A 77 -9.178 13.327 9.206 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.227 10.781 7.850 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -7.526 11.864 6.420 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.963 12.892 6.631 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.474 13.245 7.540 1.00 0.00 H new ATOM 1196 N SER A 78 -6.576 11.648 9.628 1.00 0.00 N ATOM 1197 CA SER A 78 -5.403 11.114 10.310 1.00 0.00 C ATOM 1198 C SER A 78 -5.795 9.995 11.270 1.00 0.00 C ATOM 1199 O SER A 78 -5.204 8.915 11.256 1.00 0.00 O ATOM 1200 CB SER A 78 -4.680 12.226 11.073 1.00 0.00 C ATOM 1201 OG SER A 78 -3.965 13.071 10.188 1.00 0.00 O ATOM 0 H SER A 78 -6.704 12.654 9.735 1.00 0.00 H new ATOM 0 HA SER A 78 -4.731 10.704 9.556 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.404 12.814 11.637 1.00 0.00 H new ATOM 0 HB3 SER A 78 -3.993 11.787 11.797 1.00 0.00 H new ATOM 0 HG SER A 78 -3.513 13.774 10.700 1.00 0.00 H new ATOM 1207 N ASP A 79 -6.795 10.262 12.102 1.00 0.00 N ATOM 1208 CA ASP A 79 -7.268 9.278 13.069 1.00 0.00 C ATOM 1209 C ASP A 79 -7.444 7.912 12.413 1.00 0.00 C ATOM 1210 O ASP A 79 -7.223 6.877 13.041 1.00 0.00 O ATOM 1211 CB ASP A 79 -8.591 9.734 13.687 1.00 0.00 C ATOM 1212 CG ASP A 79 -8.441 11.003 14.503 1.00 0.00 C ATOM 1213 OD1 ASP A 79 -8.565 12.101 13.920 1.00 0.00 O ATOM 1214 OD2 ASP A 79 -8.200 10.900 15.724 1.00 0.00 O ATOM 0 H ASP A 79 -7.294 11.151 12.127 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.519 9.190 13.856 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.321 9.899 12.895 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -8.984 8.941 14.323 1.00 0.00 H new ATOM 1219 N VAL A 80 -7.844 7.917 11.145 1.00 0.00 N ATOM 1220 CA VAL A 80 -8.050 6.679 10.403 1.00 0.00 C ATOM 1221 C VAL A 80 -6.744 5.906 10.252 1.00 0.00 C ATOM 1222 O VAL A 80 -5.761 6.428 9.728 1.00 0.00 O ATOM 1223 CB VAL A 80 -8.637 6.953 9.006 1.00 0.00 C ATOM 1224 CG1 VAL A 80 -8.774 5.657 8.221 1.00 0.00 C ATOM 1225 CG2 VAL A 80 -9.979 7.660 9.122 1.00 0.00 C ATOM 0 H VAL A 80 -8.032 8.765 10.610 1.00 0.00 H new ATOM 0 HA VAL A 80 -8.759 6.081 10.975 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.953 7.607 8.465 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -9.190 5.870 7.236 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -7.793 5.195 8.108 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -9.437 4.976 8.755 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -10.380 7.846 8.125 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -10.673 7.033 9.681 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -9.847 8.608 9.643 1.00 0.00 H new ATOM 1235 N GLN A 81 -6.744 4.660 10.713 1.00 0.00 N ATOM 1236 CA GLN A 81 -5.559 3.815 10.629 1.00 0.00 C ATOM 1237 C GLN A 81 -5.791 2.645 9.678 1.00 0.00 C ATOM 1238 O GLN A 81 -6.846 2.010 9.705 1.00 0.00 O ATOM 1239 CB GLN A 81 -5.178 3.293 12.015 1.00 0.00 C ATOM 1240 CG GLN A 81 -4.424 4.306 12.861 1.00 0.00 C ATOM 1241 CD GLN A 81 -3.822 3.692 14.110 1.00 0.00 C ATOM 1242 OE1 GLN A 81 -4.503 2.994 14.861 1.00 0.00 O ATOM 1243 NE2 GLN A 81 -2.540 3.950 14.338 1.00 0.00 N ATOM 0 H GLN A 81 -7.551 4.213 11.148 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.740 4.420 10.239 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -6.083 2.994 12.543 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.565 2.399 11.901 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -3.631 4.754 12.263 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -5.101 5.111 13.147 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.014 4.534 13.688 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.081 3.564 15.163 1.00 0.00 H new ATOM 1252 N LEU A 82 -4.799 2.365 8.839 1.00 0.00 N ATOM 1253 CA LEU A 82 -4.895 1.270 7.880 1.00 0.00 C ATOM 1254 C LEU A 82 -4.264 -0.001 8.438 1.00 0.00 C ATOM 1255 O LEU A 82 -3.271 0.055 9.164 1.00 0.00 O ATOM 1256 CB LEU A 82 -4.214 1.657 6.566 1.00 0.00 C ATOM 1257 CG LEU A 82 -5.032 2.534 5.618 1.00 0.00 C ATOM 1258 CD1 LEU A 82 -4.117 3.302 4.677 1.00 0.00 C ATOM 1259 CD2 LEU A 82 -6.022 1.689 4.830 1.00 0.00 C ATOM 0 H LEU A 82 -3.920 2.881 8.804 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.951 1.076 7.692 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -3.286 2.178 6.801 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -3.941 0.743 6.039 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.593 3.254 6.214 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.717 3.921 4.010 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -3.449 3.938 5.258 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -3.528 2.599 4.088 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.595 2.330 4.160 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.481 0.945 4.245 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.700 1.185 5.519 1.00 0.00 H new ATOM 1271 N ILE A 83 -4.846 -1.145 8.094 1.00 0.00 N ATOM 1272 CA ILE A 83 -4.338 -2.430 8.558 1.00 0.00 C ATOM 1273 C ILE A 83 -4.295 -3.447 7.423 1.00 0.00 C ATOM 1274 O ILE A 83 -5.317 -3.746 6.803 1.00 0.00 O ATOM 1275 CB ILE A 83 -5.198 -2.993 9.705 1.00 0.00 C ATOM 1276 CG1 ILE A 83 -5.205 -2.025 10.889 1.00 0.00 C ATOM 1277 CG2 ILE A 83 -4.680 -4.359 10.133 1.00 0.00 C ATOM 1278 CD1 ILE A 83 -6.242 -2.362 11.939 1.00 0.00 C ATOM 0 H ILE A 83 -5.670 -1.208 7.496 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.326 -2.256 8.924 1.00 0.00 H new ATOM 0 HB ILE A 83 -6.222 -3.109 9.349 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.218 -2.023 11.352 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.387 -1.015 10.521 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -5.298 -4.744 10.944 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -4.722 -5.045 9.287 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -3.649 -4.267 10.474 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -6.190 -1.634 12.749 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -7.235 -2.336 11.491 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -6.049 -3.359 12.335 1.00 0.00 H new ATOM 1290 N LEU A 84 -3.107 -3.977 7.155 1.00 0.00 N ATOM 1291 CA LEU A 84 -2.930 -4.963 6.095 1.00 0.00 C ATOM 1292 C LEU A 84 -3.351 -6.351 6.567 1.00 0.00 C ATOM 1293 O LEU A 84 -2.653 -6.987 7.356 1.00 0.00 O ATOM 1294 CB LEU A 84 -1.471 -4.989 5.634 1.00 0.00 C ATOM 1295 CG LEU A 84 -1.176 -5.822 4.387 1.00 0.00 C ATOM 1296 CD1 LEU A 84 -1.733 -5.142 3.146 1.00 0.00 C ATOM 1297 CD2 LEU A 84 0.320 -6.056 4.243 1.00 0.00 C ATOM 0 H LEU A 84 -2.251 -3.740 7.657 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.565 -4.677 5.256 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.152 -3.964 5.445 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.859 -5.368 6.453 1.00 0.00 H new ATOM 0 HG LEU A 84 -1.666 -6.790 4.496 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.513 -5.750 2.268 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.812 -5.028 3.247 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.273 -4.160 3.032 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.511 -6.651 3.350 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.832 -5.097 4.157 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.691 -6.588 5.119 1.00 0.00 H new ATOM 1309 N ARG A 85 -4.495 -6.815 6.076 1.00 0.00 N ATOM 1310 CA ARG A 85 -5.009 -8.128 6.446 1.00 0.00 C ATOM 1311 C ARG A 85 -4.943 -9.091 5.264 1.00 0.00 C ATOM 1312 O ARG A 85 -5.067 -8.682 4.110 1.00 0.00 O ATOM 1313 CB ARG A 85 -6.451 -8.014 6.944 1.00 0.00 C ATOM 1314 CG ARG A 85 -7.116 -9.357 7.196 1.00 0.00 C ATOM 1315 CD ARG A 85 -6.678 -9.955 8.524 1.00 0.00 C ATOM 1316 NE ARG A 85 -7.349 -11.222 8.801 1.00 0.00 N ATOM 1317 CZ ARG A 85 -8.612 -11.312 9.202 1.00 0.00 C ATOM 1318 NH1 ARG A 85 -9.338 -10.216 9.370 1.00 0.00 N ATOM 1319 NH2 ARG A 85 -9.153 -12.502 9.434 1.00 0.00 N ATOM 0 H ARG A 85 -5.084 -6.301 5.421 1.00 0.00 H new ATOM 0 HA ARG A 85 -4.385 -8.521 7.248 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -6.463 -7.433 7.866 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -7.037 -7.460 6.211 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -8.199 -9.235 7.190 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -6.869 -10.044 6.387 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -5.599 -10.111 8.513 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -6.890 -9.249 9.327 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.819 -12.085 8.680 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -8.927 -9.300 9.191 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -10.308 -10.289 9.678 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -8.599 -13.348 9.304 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -10.123 -12.570 9.742 1.00 0.00 H new ATOM 1333 N ARG A 86 -4.745 -10.371 5.561 1.00 0.00 N ATOM 1334 CA ARG A 86 -4.661 -11.392 4.523 1.00 0.00 C ATOM 1335 C ARG A 86 -5.929 -12.240 4.490 1.00 0.00 C ATOM 1336 O ARG A 86 -6.351 -12.786 5.510 1.00 0.00 O ATOM 1337 CB ARG A 86 -3.442 -12.286 4.756 1.00 0.00 C ATOM 1338 CG ARG A 86 -3.627 -13.286 5.886 1.00 0.00 C ATOM 1339 CD ARG A 86 -2.312 -13.948 6.265 1.00 0.00 C ATOM 1340 NE ARG A 86 -2.007 -15.091 5.407 1.00 0.00 N ATOM 1341 CZ ARG A 86 -0.869 -15.774 5.469 1.00 0.00 C ATOM 1342 NH1 ARG A 86 0.066 -15.431 6.344 1.00 0.00 N ATOM 1343 NH2 ARG A 86 -0.666 -16.802 4.655 1.00 0.00 N ATOM 0 H ARG A 86 -4.640 -10.726 6.511 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.556 -10.890 3.561 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.218 -12.827 3.837 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.578 -11.658 4.975 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.045 -12.780 6.756 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -4.346 -14.048 5.585 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.506 -13.218 6.196 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.357 -14.276 7.303 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.706 -15.380 4.723 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.088 -14.641 6.971 1.00 0.00 H new ATOM 0 HH12 ARG A 86 0.939 -15.957 6.390 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -1.384 -17.068 3.981 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.208 -17.326 4.703 1.00 0.00 H new ATOM 1357 N THR A 87 -6.533 -12.347 3.311 1.00 0.00 N ATOM 1358 CA THR A 87 -7.753 -13.126 3.145 1.00 0.00 C ATOM 1359 C THR A 87 -7.455 -14.621 3.148 1.00 0.00 C ATOM 1360 O THR A 87 -8.144 -15.400 3.804 1.00 0.00 O ATOM 1361 CB THR A 87 -8.479 -12.762 1.836 1.00 0.00 C ATOM 1362 OG1 THR A 87 -7.672 -13.125 0.711 1.00 0.00 O ATOM 1363 CG2 THR A 87 -8.789 -11.273 1.786 1.00 0.00 C ATOM 0 H THR A 87 -6.197 -11.903 2.456 1.00 0.00 H new ATOM 0 HA THR A 87 -8.399 -12.885 3.989 1.00 0.00 H new ATOM 0 HB THR A 87 -9.418 -13.314 1.801 1.00 0.00 H new ATOM 0 HG1 THR A 87 -8.141 -12.892 -0.117 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.302 -11.039 0.853 1.00 0.00 H new ATOM 0 HG22 THR A 87 -9.428 -11.006 2.628 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.860 -10.706 1.841 1.00 0.00 H new ATOM 1371 N GLY A 88 -6.422 -15.016 2.409 1.00 0.00 N ATOM 1372 CA GLY A 88 -6.051 -16.417 2.341 1.00 0.00 C ATOM 1373 C GLY A 88 -4.714 -16.630 1.659 1.00 0.00 C ATOM 1374 O GLY A 88 -4.217 -15.766 0.937 1.00 0.00 O ATOM 0 H GLY A 88 -5.836 -14.390 1.856 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -6.011 -16.828 3.350 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -6.822 -16.968 1.803 1.00 0.00 H new ATOM 1378 N PRO A 89 -4.109 -17.805 1.887 1.00 0.00 N ATOM 1379 CA PRO A 89 -2.813 -18.156 1.299 1.00 0.00 C ATOM 1380 C PRO A 89 -2.902 -18.383 -0.206 1.00 0.00 C ATOM 1381 O PRO A 89 -3.630 -19.262 -0.669 1.00 0.00 O ATOM 1382 CB PRO A 89 -2.439 -19.456 2.015 1.00 0.00 C ATOM 1383 CG PRO A 89 -3.741 -20.046 2.435 1.00 0.00 C ATOM 1384 CD PRO A 89 -4.644 -18.882 2.737 1.00 0.00 C ATOM 0 HA PRO A 89 -2.080 -17.359 1.423 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -1.894 -20.130 1.353 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -1.796 -19.264 2.874 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -4.160 -20.670 1.645 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -3.617 -20.682 3.312 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -5.683 -19.106 2.495 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -4.613 -18.613 3.793 1.00 0.00 H new ATOM 1392 N SER A 90 -2.158 -17.586 -0.966 1.00 0.00 N ATOM 1393 CA SER A 90 -2.156 -17.699 -2.420 1.00 0.00 C ATOM 1394 C SER A 90 -0.735 -17.617 -2.969 1.00 0.00 C ATOM 1395 O SER A 90 0.031 -16.724 -2.610 1.00 0.00 O ATOM 1396 CB SER A 90 -3.018 -16.597 -3.039 1.00 0.00 C ATOM 1397 OG SER A 90 -4.376 -16.995 -3.117 1.00 0.00 O ATOM 0 H SER A 90 -1.549 -16.855 -0.599 1.00 0.00 H new ATOM 0 HA SER A 90 -2.574 -18.670 -2.685 1.00 0.00 H new ATOM 0 HB2 SER A 90 -2.936 -15.688 -2.442 1.00 0.00 H new ATOM 0 HB3 SER A 90 -2.648 -16.358 -4.036 1.00 0.00 H new ATOM 0 HG SER A 90 -4.713 -16.833 -4.023 1.00 0.00 H new ATOM 1403 N GLY A 91 -0.390 -18.558 -3.843 1.00 0.00 N ATOM 1404 CA GLY A 91 0.938 -18.575 -4.428 1.00 0.00 C ATOM 1405 C GLY A 91 2.025 -18.790 -3.393 1.00 0.00 C ATOM 1406 O GLY A 91 2.647 -17.843 -2.910 1.00 0.00 O ATOM 0 H GLY A 91 -1.006 -19.308 -4.156 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.992 -19.366 -5.176 1.00 0.00 H new ATOM 0 HA3 GLY A 91 1.115 -17.633 -4.946 1.00 0.00 H new ATOM 1410 N PRO A 92 2.266 -20.060 -3.037 1.00 0.00 N ATOM 1411 CA PRO A 92 3.284 -20.425 -2.048 1.00 0.00 C ATOM 1412 C PRO A 92 4.701 -20.199 -2.565 1.00 0.00 C ATOM 1413 O PRO A 92 5.621 -19.941 -1.789 1.00 0.00 O ATOM 1414 CB PRO A 92 3.033 -21.917 -1.814 1.00 0.00 C ATOM 1415 CG PRO A 92 2.382 -22.393 -3.067 1.00 0.00 C ATOM 1416 CD PRO A 92 1.562 -21.238 -3.572 1.00 0.00 C ATOM 0 HA PRO A 92 3.210 -19.819 -1.145 1.00 0.00 H new ATOM 0 HB2 PRO A 92 3.965 -22.450 -1.625 1.00 0.00 H new ATOM 0 HB3 PRO A 92 2.391 -22.079 -0.948 1.00 0.00 H new ATOM 0 HG2 PRO A 92 3.127 -22.694 -3.804 1.00 0.00 H new ATOM 0 HG3 PRO A 92 1.754 -23.263 -2.874 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.520 -21.221 -4.661 1.00 0.00 H new ATOM 0 HD3 PRO A 92 0.534 -21.288 -3.214 1.00 0.00 H new ATOM 1424 N SER A 93 4.869 -20.296 -3.880 1.00 0.00 N ATOM 1425 CA SER A 93 6.175 -20.105 -4.500 1.00 0.00 C ATOM 1426 C SER A 93 6.043 -19.962 -6.013 1.00 0.00 C ATOM 1427 O SER A 93 5.115 -20.498 -6.619 1.00 0.00 O ATOM 1428 CB SER A 93 7.098 -21.278 -4.166 1.00 0.00 C ATOM 1429 OG SER A 93 6.602 -22.489 -4.709 1.00 0.00 O ATOM 0 H SER A 93 4.117 -20.506 -4.537 1.00 0.00 H new ATOM 0 HA SER A 93 6.607 -19.187 -4.102 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.096 -21.082 -4.558 1.00 0.00 H new ATOM 0 HB3 SER A 93 7.193 -21.373 -3.084 1.00 0.00 H new ATOM 0 HG SER A 93 7.211 -23.223 -4.483 1.00 0.00 H new ATOM 1435 N SER A 94 6.977 -19.235 -6.616 1.00 0.00 N ATOM 1436 CA SER A 94 6.964 -19.018 -8.058 1.00 0.00 C ATOM 1437 C SER A 94 8.262 -18.363 -8.521 1.00 0.00 C ATOM 1438 O SER A 94 8.692 -17.352 -7.968 1.00 0.00 O ATOM 1439 CB SER A 94 5.771 -18.145 -8.453 1.00 0.00 C ATOM 1440 OG SER A 94 5.371 -18.401 -9.788 1.00 0.00 O ATOM 0 H SER A 94 7.753 -18.786 -6.129 1.00 0.00 H new ATOM 0 HA SER A 94 6.873 -19.989 -8.545 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.937 -18.336 -7.777 1.00 0.00 H new ATOM 0 HB3 SER A 94 6.035 -17.093 -8.345 1.00 0.00 H new ATOM 0 HG SER A 94 4.606 -17.832 -10.015 1.00 0.00 H new ATOM 1446 N GLY A 95 8.882 -18.949 -9.541 1.00 0.00 N ATOM 1447 CA GLY A 95 10.125 -18.410 -10.062 1.00 0.00 C ATOM 1448 C GLY A 95 11.336 -19.195 -9.600 1.00 0.00 C ATOM 1449 O GLY A 95 11.209 -20.325 -9.128 1.00 0.00 O ATOM 0 H GLY A 95 8.546 -19.787 -10.016 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.089 -18.411 -11.151 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.227 -17.371 -9.747 1.00 0.00 H new TER 1453 GLY A 95