USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 871 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 114 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 118 GLN : amide:sc= 0.348 K(o=0.35,f=-0.72) USER MOD Set 2.1: A 24 ASN : amide:sc= -0.182 K(o=-1.4,f=-5.2!) USER MOD Set 2.2: A 107 MET CE :methyl 176:sc= -1.21 (180deg=-1.26) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.1 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.598 X(o=-0.6,f=-0.56) USER MOD Single : A 33 TYR OH : rot -71:sc= 0.983 USER MOD Single : A 39 GLN : amide:sc= 1.15 K(o=1.1,f=-0.013) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot 18:sc= 0.489 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.459 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 30:sc= 0 USER MOD Single : A 64 SER OG : rot -53:sc= 0.743 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 172:sc= 0.736 (180deg=0.691) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -170:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.106 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -146:sc= 0.787 (180deg=0.253) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.00478 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.00654 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.00592 USER MOD Single : A 109 ASN : amide:sc= -0.32! X(o=-0.32!,f=-0.18) USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 18 N GLY A 2 -3.930 -9.098 -10.514 1.00 11.25 N ATOM 19 CA GLY A 2 -2.572 -8.833 -10.979 1.00 54.11 C ATOM 20 C GLY A 2 -2.520 -7.499 -11.691 1.00 14.04 C ATOM 21 O GLY A 2 -2.540 -7.439 -12.918 1.00 24.35 O ATOM 0 HA2 GLY A 2 -1.883 -8.831 -10.134 1.00 54.11 H new ATOM 0 HA3 GLY A 2 -2.248 -9.627 -11.652 1.00 54.11 H new ATOM 25 N ILE A 3 -2.490 -6.418 -10.919 1.00 4.02 N ATOM 26 CA ILE A 3 -2.403 -5.069 -11.465 1.00 41.03 C ATOM 27 C ILE A 3 -0.933 -4.780 -11.765 1.00 53.25 C ATOM 28 O ILE A 3 -0.029 -5.286 -11.087 1.00 43.22 O ATOM 29 CB ILE A 3 -3.005 -4.014 -10.502 1.00 41.03 C ATOM 30 CG1 ILE A 3 -4.261 -4.556 -9.798 1.00 14.41 C ATOM 31 CG2 ILE A 3 -3.421 -2.741 -11.270 1.00 5.23 C ATOM 32 CD1 ILE A 3 -4.879 -3.582 -8.791 1.00 34.41 C ATOM 0 H ILE A 3 -2.525 -6.452 -9.900 1.00 4.02 H new ATOM 0 HA ILE A 3 -2.992 -5.005 -12.380 1.00 41.03 H new ATOM 0 HB ILE A 3 -2.232 -3.783 -9.769 1.00 41.03 H new ATOM 0 HG12 ILE A 3 -5.008 -4.806 -10.551 1.00 14.41 H new ATOM 0 HG13 ILE A 3 -4.005 -5.482 -9.283 1.00 14.41 H new ATOM 0 HG21 ILE A 3 -3.840 -2.016 -10.572 1.00 5.23 H new ATOM 0 HG22 ILE A 3 -2.548 -2.310 -11.760 1.00 5.23 H new ATOM 0 HG23 ILE A 3 -4.169 -2.997 -12.021 1.00 5.23 H new ATOM 0 HD11 ILE A 3 -5.759 -4.037 -8.338 1.00 34.41 H new ATOM 0 HD12 ILE A 3 -4.150 -3.350 -8.015 1.00 34.41 H new ATOM 0 HD13 ILE A 3 -5.168 -2.664 -9.303 1.00 34.41 H new ATOM 44 N THR A 4 -0.715 -3.926 -12.754 1.00 41.02 N ATOM 45 CA THR A 4 0.537 -3.206 -12.945 1.00 31.20 C ATOM 46 C THR A 4 0.658 -2.163 -11.825 1.00 3.45 C ATOM 47 O THR A 4 -0.351 -1.720 -11.277 1.00 31.32 O ATOM 48 CB THR A 4 0.502 -2.541 -14.335 1.00 54.04 C ATOM 49 OG1 THR A 4 0.199 -3.523 -15.312 1.00 35.53 O ATOM 50 CG2 THR A 4 1.813 -1.862 -14.744 1.00 44.12 C ATOM 0 H THR A 4 -1.417 -3.709 -13.461 1.00 41.02 H new ATOM 0 HA THR A 4 1.401 -3.869 -12.901 1.00 31.20 H new ATOM 0 HB THR A 4 -0.258 -1.762 -14.273 1.00 54.04 H new ATOM 0 HG1 THR A 4 0.174 -3.106 -16.198 1.00 35.53 H new ATOM 0 HG21 THR A 4 1.701 -1.420 -15.734 1.00 44.12 H new ATOM 0 HG22 THR A 4 2.058 -1.081 -14.024 1.00 44.12 H new ATOM 0 HG23 THR A 4 2.614 -2.601 -14.765 1.00 44.12 H new ATOM 58 N ILE A 5 1.878 -1.743 -11.495 1.00 2.03 N ATOM 59 CA ILE A 5 2.152 -0.535 -10.733 1.00 65.24 C ATOM 60 C ILE A 5 3.246 0.219 -11.483 1.00 33.30 C ATOM 61 O ILE A 5 4.121 -0.414 -12.087 1.00 63.52 O ATOM 62 CB ILE A 5 2.610 -0.918 -9.310 1.00 62.11 C ATOM 63 CG1 ILE A 5 1.672 -1.897 -8.574 1.00 74.23 C ATOM 64 CG2 ILE A 5 2.932 0.293 -8.427 1.00 14.05 C ATOM 65 CD1 ILE A 5 0.411 -1.303 -7.949 1.00 11.43 C ATOM 0 H ILE A 5 2.723 -2.250 -11.759 1.00 2.03 H new ATOM 0 HA ILE A 5 1.266 0.092 -10.633 1.00 65.24 H new ATOM 0 HB ILE A 5 3.540 -1.458 -9.485 1.00 62.11 H new ATOM 0 HG12 ILE A 5 1.370 -2.672 -9.278 1.00 74.23 H new ATOM 0 HG13 ILE A 5 2.243 -2.388 -7.786 1.00 74.23 H new ATOM 0 HG21 ILE A 5 3.247 -0.049 -7.441 1.00 14.05 H new ATOM 0 HG22 ILE A 5 3.734 0.873 -8.883 1.00 14.05 H new ATOM 0 HG23 ILE A 5 2.044 0.917 -8.328 1.00 14.05 H new ATOM 0 HD11 ILE A 5 -0.161 -2.093 -7.463 1.00 11.43 H new ATOM 0 HD12 ILE A 5 0.690 -0.551 -7.211 1.00 11.43 H new ATOM 0 HD13 ILE A 5 -0.197 -0.840 -8.726 1.00 11.43 H new ATOM 77 N THR A 6 3.241 1.545 -11.377 1.00 31.44 N ATOM 78 CA THR A 6 4.311 2.408 -11.840 1.00 43.31 C ATOM 79 C THR A 6 4.880 3.203 -10.669 1.00 1.30 C ATOM 80 O THR A 6 4.135 3.721 -9.835 1.00 62.43 O ATOM 81 CB THR A 6 3.839 3.282 -13.020 1.00 43.04 C ATOM 82 OG1 THR A 6 2.494 3.708 -12.906 1.00 75.31 O ATOM 83 CG2 THR A 6 3.911 2.420 -14.281 1.00 41.02 C ATOM 0 H THR A 6 2.468 2.058 -10.954 1.00 31.44 H new ATOM 0 HA THR A 6 5.130 1.806 -12.233 1.00 43.31 H new ATOM 0 HB THR A 6 4.476 4.166 -13.042 1.00 43.04 H new ATOM 0 HG1 THR A 6 2.258 4.258 -13.682 1.00 75.31 H new ATOM 0 HG21 THR A 6 3.584 3.005 -15.141 1.00 41.02 H new ATOM 0 HG22 THR A 6 4.938 2.089 -14.437 1.00 41.02 H new ATOM 0 HG23 THR A 6 3.263 1.551 -14.165 1.00 41.02 H new ATOM 91 N ASP A 7 6.210 3.309 -10.615 1.00 72.11 N ATOM 92 CA ASP A 7 6.953 4.115 -9.645 1.00 41.34 C ATOM 93 C ASP A 7 6.533 5.591 -9.703 1.00 34.44 C ATOM 94 O ASP A 7 6.658 6.318 -8.718 1.00 51.11 O ATOM 95 CB ASP A 7 8.454 4.014 -9.949 1.00 12.12 C ATOM 96 CG ASP A 7 9.136 2.737 -9.425 1.00 11.21 C ATOM 97 OD1 ASP A 7 8.532 1.922 -8.689 1.00 12.24 O ATOM 98 OD2 ASP A 7 10.323 2.516 -9.755 1.00 72.15 O ATOM 0 H ASP A 7 6.820 2.818 -11.269 1.00 72.11 H new ATOM 0 HA ASP A 7 6.735 3.733 -8.648 1.00 41.34 H new ATOM 0 HB2 ASP A 7 8.596 4.068 -11.028 1.00 12.12 H new ATOM 0 HB3 ASP A 7 8.956 4.880 -9.518 1.00 12.12 H new ATOM 103 N GLU A 8 6.006 6.037 -10.845 1.00 0.42 N ATOM 104 CA GLU A 8 5.434 7.368 -11.009 1.00 61.14 C ATOM 105 C GLU A 8 4.108 7.511 -10.262 1.00 14.24 C ATOM 106 O GLU A 8 3.897 8.492 -9.551 1.00 32.30 O ATOM 107 CB GLU A 8 5.214 7.635 -12.497 1.00 2.30 C ATOM 108 CG GLU A 8 6.532 7.986 -13.191 1.00 45.15 C ATOM 109 CD GLU A 8 6.340 8.748 -14.502 1.00 60.13 C ATOM 110 OE1 GLU A 8 5.404 9.575 -14.619 1.00 60.33 O ATOM 111 OE2 GLU A 8 7.153 8.541 -15.435 1.00 42.54 O ATOM 0 H GLU A 8 5.966 5.472 -11.693 1.00 0.42 H new ATOM 0 HA GLU A 8 6.131 8.094 -10.589 1.00 61.14 H new ATOM 0 HB2 GLU A 8 4.774 6.755 -12.967 1.00 2.30 H new ATOM 0 HB3 GLU A 8 4.504 8.452 -12.623 1.00 2.30 H new ATOM 0 HG2 GLU A 8 7.142 8.586 -12.516 1.00 45.15 H new ATOM 0 HG3 GLU A 8 7.086 7.068 -13.390 1.00 45.15 H new ATOM 118 N LEU A 9 3.221 6.518 -10.370 1.00 23.54 N ATOM 119 CA LEU A 9 1.971 6.495 -9.611 1.00 74.25 C ATOM 120 C LEU A 9 2.282 6.480 -8.119 1.00 4.02 C ATOM 121 O LEU A 9 1.559 7.054 -7.307 1.00 64.42 O ATOM 122 CB LEU A 9 1.136 5.264 -10.011 1.00 33.25 C ATOM 123 CG LEU A 9 -0.334 5.627 -10.284 1.00 44.03 C ATOM 124 CD1 LEU A 9 -0.944 4.644 -11.287 1.00 20.10 C ATOM 125 CD2 LEU A 9 -1.139 5.655 -8.979 1.00 15.41 C ATOM 0 H LEU A 9 3.349 5.713 -10.983 1.00 23.54 H new ATOM 0 HA LEU A 9 1.389 7.389 -9.837 1.00 74.25 H new ATOM 0 HB2 LEU A 9 1.568 4.807 -10.902 1.00 33.25 H new ATOM 0 HB3 LEU A 9 1.184 4.520 -9.216 1.00 33.25 H new ATOM 0 HG LEU A 9 -0.371 6.626 -10.718 1.00 44.03 H new ATOM 0 HD11 LEU A 9 -1.984 4.911 -11.472 1.00 20.10 H new ATOM 0 HD12 LEU A 9 -0.387 4.686 -12.223 1.00 20.10 H new ATOM 0 HD13 LEU A 9 -0.896 3.633 -10.881 1.00 20.10 H new ATOM 0 HD21 LEU A 9 -2.175 5.914 -9.196 1.00 15.41 H new ATOM 0 HD22 LEU A 9 -1.101 4.673 -8.507 1.00 15.41 H new ATOM 0 HD23 LEU A 9 -0.713 6.398 -8.305 1.00 15.41 H new ATOM 137 N LEU A 10 3.395 5.847 -7.746 1.00 42.34 N ATOM 138 CA LEU A 10 3.878 5.873 -6.389 1.00 24.23 C ATOM 139 C LEU A 10 4.325 7.269 -5.982 1.00 14.50 C ATOM 140 O LEU A 10 3.993 7.708 -4.885 1.00 55.02 O ATOM 141 CB LEU A 10 4.973 4.824 -6.234 1.00 2.34 C ATOM 142 CG LEU A 10 4.432 3.402 -6.009 1.00 43.23 C ATOM 143 CD1 LEU A 10 4.368 3.122 -4.512 1.00 51.41 C ATOM 144 CD2 LEU A 10 3.051 3.043 -6.581 1.00 22.42 C ATOM 0 H LEU A 10 3.978 5.306 -8.385 1.00 42.34 H new ATOM 0 HA LEU A 10 3.069 5.620 -5.704 1.00 24.23 H new ATOM 0 HB2 LEU A 10 5.599 4.829 -7.126 1.00 2.34 H new ATOM 0 HB3 LEU A 10 5.612 5.098 -5.395 1.00 2.34 H new ATOM 0 HG LEU A 10 5.141 2.791 -6.568 1.00 43.23 H new ATOM 0 HD11 LEU A 10 3.985 2.115 -4.346 1.00 51.41 H new ATOM 0 HD12 LEU A 10 5.367 3.206 -4.083 1.00 51.41 H new ATOM 0 HD13 LEU A 10 3.706 3.845 -4.035 1.00 51.41 H new ATOM 0 HD21 LEU A 10 2.814 2.007 -6.338 1.00 22.42 H new ATOM 0 HD22 LEU A 10 2.296 3.699 -6.148 1.00 22.42 H new ATOM 0 HD23 LEU A 10 3.062 3.168 -7.664 1.00 22.42 H new ATOM 156 N TRP A 11 5.041 7.992 -6.838 1.00 74.32 N ATOM 157 CA TRP A 11 5.427 9.380 -6.588 1.00 62.41 C ATOM 158 C TRP A 11 4.218 10.269 -6.302 1.00 11.13 C ATOM 159 O TRP A 11 4.290 11.101 -5.393 1.00 43.04 O ATOM 160 CB TRP A 11 6.286 9.949 -7.726 1.00 13.11 C ATOM 161 CG TRP A 11 7.756 9.850 -7.481 1.00 31.50 C ATOM 162 CD1 TRP A 11 8.641 9.134 -8.208 1.00 22.11 C ATOM 163 CD2 TRP A 11 8.515 10.439 -6.386 1.00 4.13 C ATOM 164 NE1 TRP A 11 9.900 9.293 -7.667 1.00 52.43 N ATOM 165 CE2 TRP A 11 9.869 10.019 -6.497 1.00 40.34 C ATOM 166 CE3 TRP A 11 8.180 11.244 -5.277 1.00 60.31 C ATOM 167 CZ2 TRP A 11 10.834 10.346 -5.534 1.00 12.22 C ATOM 168 CZ3 TRP A 11 9.135 11.579 -4.299 1.00 61.32 C ATOM 169 CH2 TRP A 11 10.457 11.118 -4.421 1.00 2.40 C ATOM 0 H TRP A 11 5.373 7.630 -7.732 1.00 74.32 H new ATOM 0 HA TRP A 11 6.042 9.376 -5.688 1.00 62.41 H new ATOM 0 HB2 TRP A 11 6.045 9.422 -8.649 1.00 13.11 H new ATOM 0 HB3 TRP A 11 6.023 10.996 -7.879 1.00 13.11 H new ATOM 0 HD1 TRP A 11 8.402 8.534 -9.073 1.00 22.11 H new ATOM 0 HE1 TRP A 11 10.752 8.918 -8.084 1.00 52.43 H new ATOM 0 HE3 TRP A 11 7.169 11.611 -5.176 1.00 60.31 H new ATOM 0 HZ2 TRP A 11 11.854 10.009 -5.646 1.00 12.22 H new ATOM 0 HZ3 TRP A 11 8.852 12.190 -3.455 1.00 61.32 H new ATOM 0 HH2 TRP A 11 11.184 11.357 -3.659 1.00 2.40 H new ATOM 180 N ALA A 12 3.094 10.058 -6.990 1.00 42.24 N ATOM 181 CA ALA A 12 1.849 10.771 -6.721 1.00 63.44 C ATOM 182 C ALA A 12 1.343 10.553 -5.282 1.00 73.14 C ATOM 183 O ALA A 12 0.606 11.392 -4.750 1.00 73.41 O ATOM 184 CB ALA A 12 0.801 10.339 -7.748 1.00 42.22 C ATOM 0 H ALA A 12 3.024 9.384 -7.752 1.00 42.24 H new ATOM 0 HA ALA A 12 2.037 11.841 -6.813 1.00 63.44 H new ATOM 0 HB1 ALA A 12 -0.134 10.865 -7.557 1.00 42.22 H new ATOM 0 HB2 ALA A 12 1.154 10.579 -8.751 1.00 42.22 H new ATOM 0 HB3 ALA A 12 0.635 9.265 -7.669 1.00 42.22 H new ATOM 190 N ILE A 13 1.740 9.463 -4.617 1.00 25.50 N ATOM 191 CA ILE A 13 1.469 9.249 -3.208 1.00 11.32 C ATOM 192 C ILE A 13 2.392 10.172 -2.411 1.00 4.54 C ATOM 193 O ILE A 13 1.893 10.983 -1.627 1.00 14.15 O ATOM 194 CB ILE A 13 1.583 7.774 -2.805 1.00 54.24 C ATOM 195 CG1 ILE A 13 0.651 6.912 -3.683 1.00 72.35 C ATOM 196 CG2 ILE A 13 1.174 7.601 -1.336 1.00 21.42 C ATOM 197 CD1 ILE A 13 1.187 5.500 -3.787 1.00 24.20 C ATOM 0 H ILE A 13 2.262 8.703 -5.053 1.00 25.50 H new ATOM 0 HA ILE A 13 0.433 9.502 -2.984 1.00 11.32 H new ATOM 0 HB ILE A 13 2.616 7.456 -2.942 1.00 54.24 H new ATOM 0 HG12 ILE A 13 -0.352 6.897 -3.256 1.00 72.35 H new ATOM 0 HG13 ILE A 13 0.568 7.351 -4.677 1.00 72.35 H new ATOM 0 HG21 ILE A 13 1.257 6.551 -1.056 1.00 21.42 H new ATOM 0 HG22 ILE A 13 1.830 8.198 -0.703 1.00 21.42 H new ATOM 0 HG23 ILE A 13 0.144 7.931 -1.204 1.00 21.42 H new ATOM 0 HD11 ILE A 13 0.520 4.903 -4.409 1.00 24.20 H new ATOM 0 HD12 ILE A 13 2.180 5.520 -4.235 1.00 24.20 H new ATOM 0 HD13 ILE A 13 1.247 5.059 -2.792 1.00 24.20 H new ATOM 209 N LEU A 14 3.721 10.073 -2.595 1.00 63.15 N ATOM 210 CA LEU A 14 4.677 10.871 -1.860 1.00 4.42 C ATOM 211 C LEU A 14 4.406 12.376 -1.940 1.00 74.55 C ATOM 212 O LEU A 14 4.507 13.019 -0.892 1.00 72.31 O ATOM 213 CB LEU A 14 6.101 10.575 -2.351 1.00 4.53 C ATOM 214 CG LEU A 14 6.727 9.216 -1.999 1.00 21.24 C ATOM 215 CD1 LEU A 14 6.357 8.704 -0.605 1.00 45.53 C ATOM 216 CD2 LEU A 14 6.528 8.086 -2.996 1.00 60.22 C ATOM 0 H LEU A 14 4.148 9.431 -3.263 1.00 63.15 H new ATOM 0 HA LEU A 14 4.571 10.588 -0.813 1.00 4.42 H new ATOM 0 HB2 LEU A 14 6.105 10.671 -3.437 1.00 4.53 H new ATOM 0 HB3 LEU A 14 6.756 11.354 -1.960 1.00 4.53 H new ATOM 0 HG LEU A 14 7.784 9.479 -2.034 1.00 21.24 H new ATOM 0 HD11 LEU A 14 6.837 7.741 -0.432 1.00 45.53 H new ATOM 0 HD12 LEU A 14 6.694 9.418 0.146 1.00 45.53 H new ATOM 0 HD13 LEU A 14 5.275 8.588 -0.535 1.00 45.53 H new ATOM 0 HD21 LEU A 14 7.018 7.185 -2.627 1.00 60.22 H new ATOM 0 HD22 LEU A 14 5.462 7.894 -3.120 1.00 60.22 H new ATOM 0 HD23 LEU A 14 6.960 8.368 -3.956 1.00 60.22 H new ATOM 228 N LYS A 15 4.118 12.925 -3.133 1.00 22.22 N ATOM 229 CA LYS A 15 4.041 14.371 -3.338 1.00 32.30 C ATOM 230 C LYS A 15 2.805 14.927 -2.631 1.00 42.32 C ATOM 231 O LYS A 15 2.911 15.377 -1.490 1.00 14.50 O ATOM 232 CB LYS A 15 4.092 14.724 -4.848 1.00 23.14 C ATOM 233 CG LYS A 15 5.402 14.372 -5.582 1.00 5.44 C ATOM 234 CD LYS A 15 6.633 15.025 -4.947 1.00 5.35 C ATOM 235 CE LYS A 15 7.921 14.689 -5.705 1.00 43.03 C ATOM 236 NZ LYS A 15 9.126 15.236 -5.038 1.00 40.12 N ATOM 0 H LYS A 15 3.934 12.378 -3.974 1.00 22.22 H new ATOM 0 HA LYS A 15 4.912 14.850 -2.891 1.00 32.30 H new ATOM 0 HB2 LYS A 15 3.270 14.212 -5.348 1.00 23.14 H new ATOM 0 HB3 LYS A 15 3.914 15.794 -4.957 1.00 23.14 H new ATOM 0 HG2 LYS A 15 5.532 13.290 -5.585 1.00 5.44 H new ATOM 0 HG3 LYS A 15 5.326 14.687 -6.623 1.00 5.44 H new ATOM 0 HD2 LYS A 15 6.498 16.106 -4.925 1.00 5.35 H new ATOM 0 HD3 LYS A 15 6.725 14.694 -3.913 1.00 5.35 H new ATOM 0 HE2 LYS A 15 8.017 13.607 -5.792 1.00 43.03 H new ATOM 0 HE3 LYS A 15 7.858 15.086 -6.718 1.00 43.03 H new ATOM 0 HZ1 LYS A 15 9.972 14.983 -5.588 1.00 40.12 H new ATOM 0 HZ2 LYS A 15 9.049 16.271 -4.977 1.00 40.12 H new ATOM 0 HZ3 LYS A 15 9.203 14.838 -4.080 1.00 40.12 H new ATOM 250 N ASP A 16 1.649 14.897 -3.291 1.00 3.25 N ATOM 251 CA ASP A 16 0.329 15.321 -2.826 1.00 0.23 C ATOM 252 C ASP A 16 -0.527 15.177 -4.079 1.00 24.45 C ATOM 253 O ASP A 16 -0.676 16.121 -4.858 1.00 1.32 O ATOM 254 CB ASP A 16 0.282 16.765 -2.260 1.00 32.55 C ATOM 255 CG ASP A 16 -0.260 16.867 -0.829 1.00 21.31 C ATOM 256 OD1 ASP A 16 0.507 16.640 0.141 1.00 14.52 O ATOM 257 OD2 ASP A 16 -1.408 17.317 -0.633 1.00 11.30 O ATOM 0 H ASP A 16 1.608 14.545 -4.247 1.00 3.25 H new ATOM 0 HA ASP A 16 -0.010 14.724 -1.979 1.00 0.23 H new ATOM 0 HB2 ASP A 16 1.287 17.185 -2.286 1.00 32.55 H new ATOM 0 HB3 ASP A 16 -0.337 17.379 -2.915 1.00 32.55 H new ATOM 262 N GLU A 17 -0.965 13.963 -4.386 1.00 43.12 N ATOM 263 CA GLU A 17 -2.039 13.721 -5.314 1.00 35.41 C ATOM 264 C GLU A 17 -2.964 12.681 -4.689 1.00 20.21 C ATOM 265 O GLU A 17 -4.126 13.011 -4.443 1.00 44.44 O ATOM 266 CB GLU A 17 -1.458 13.361 -6.681 1.00 52.01 C ATOM 267 CG GLU A 17 -2.434 12.518 -7.488 1.00 75.14 C ATOM 268 CD GLU A 17 -2.011 12.313 -8.946 1.00 40.11 C ATOM 269 OE1 GLU A 17 -1.316 13.205 -9.495 1.00 14.32 O ATOM 270 OE2 GLU A 17 -2.354 11.245 -9.503 1.00 33.10 O ATOM 0 H GLU A 17 -0.571 13.111 -3.986 1.00 43.12 H new ATOM 0 HA GLU A 17 -2.651 14.603 -5.502 1.00 35.41 H new ATOM 0 HB2 GLU A 17 -1.220 14.272 -7.230 1.00 52.01 H new ATOM 0 HB3 GLU A 17 -0.524 12.815 -6.550 1.00 52.01 H new ATOM 0 HG2 GLU A 17 -2.541 11.544 -7.010 1.00 75.14 H new ATOM 0 HG3 GLU A 17 -3.415 12.993 -7.467 1.00 75.14 H new ATOM 277 N LEU A 18 -2.477 11.469 -4.367 1.00 24.21 N ATOM 278 CA LEU A 18 -3.377 10.462 -3.789 1.00 2.41 C ATOM 279 C LEU A 18 -3.937 10.999 -2.492 1.00 14.51 C ATOM 280 O LEU A 18 -3.309 11.806 -1.804 1.00 55.15 O ATOM 281 CB LEU A 18 -2.722 9.117 -3.453 1.00 12.11 C ATOM 282 CG LEU A 18 -2.811 8.025 -4.522 1.00 41.22 C ATOM 283 CD1 LEU A 18 -4.221 7.483 -4.739 1.00 13.22 C ATOM 284 CD2 LEU A 18 -2.145 8.444 -5.836 1.00 61.51 C ATOM 0 H LEU A 18 -1.509 11.173 -4.491 1.00 24.21 H new ATOM 0 HA LEU A 18 -4.129 10.278 -4.557 1.00 2.41 H new ATOM 0 HB2 LEU A 18 -1.669 9.296 -3.236 1.00 12.11 H new ATOM 0 HB3 LEU A 18 -3.176 8.736 -2.538 1.00 12.11 H new ATOM 0 HG LEU A 18 -2.240 7.187 -4.122 1.00 41.22 H new ATOM 0 HD11 LEU A 18 -4.200 6.714 -5.511 1.00 13.22 H new ATOM 0 HD12 LEU A 18 -4.593 7.053 -3.809 1.00 13.22 H new ATOM 0 HD13 LEU A 18 -4.878 8.294 -5.052 1.00 13.22 H new ATOM 0 HD21 LEU A 18 -2.234 7.637 -6.563 1.00 61.51 H new ATOM 0 HD22 LEU A 18 -2.635 9.337 -6.224 1.00 61.51 H new ATOM 0 HD23 LEU A 18 -1.091 8.657 -5.658 1.00 61.51 H new ATOM 296 N SER A 19 -5.084 10.463 -2.116 1.00 24.22 N ATOM 297 CA SER A 19 -5.880 10.994 -1.016 1.00 32.43 C ATOM 298 C SER A 19 -5.737 10.075 0.200 1.00 32.10 C ATOM 299 O SER A 19 -4.752 9.343 0.277 1.00 25.43 O ATOM 300 CB SER A 19 -7.312 11.257 -1.502 1.00 13.44 C ATOM 301 OG SER A 19 -7.867 12.379 -0.842 1.00 55.44 O ATOM 0 H SER A 19 -5.494 9.644 -2.565 1.00 24.22 H new ATOM 0 HA SER A 19 -5.520 11.966 -0.677 1.00 32.43 H new ATOM 0 HB2 SER A 19 -7.310 11.427 -2.579 1.00 13.44 H new ATOM 0 HB3 SER A 19 -7.931 10.378 -1.319 1.00 13.44 H new ATOM 0 HG SER A 19 -8.779 12.531 -1.167 1.00 55.44 H new ATOM 307 N ASP A 20 -6.633 10.148 1.186 1.00 71.23 N ATOM 308 CA ASP A 20 -6.708 9.131 2.236 1.00 24.25 C ATOM 309 C ASP A 20 -7.386 7.887 1.677 1.00 65.22 C ATOM 310 O ASP A 20 -6.698 6.907 1.406 1.00 3.41 O ATOM 311 CB ASP A 20 -7.345 9.617 3.547 1.00 13.34 C ATOM 312 CG ASP A 20 -8.541 10.556 3.450 1.00 34.14 C ATOM 313 OD1 ASP A 20 -9.543 10.192 2.790 1.00 33.30 O ATOM 314 OD2 ASP A 20 -8.450 11.646 4.059 1.00 33.20 O ATOM 0 H ASP A 20 -7.316 10.900 1.279 1.00 71.23 H new ATOM 0 HA ASP A 20 -5.687 8.886 2.528 1.00 24.25 H new ATOM 0 HB2 ASP A 20 -7.653 8.739 4.115 1.00 13.34 H new ATOM 0 HB3 ASP A 20 -6.572 10.118 4.129 1.00 13.34 H new ATOM 319 N ALA A 21 -8.697 7.934 1.431 1.00 52.21 N ATOM 320 CA ALA A 21 -9.489 6.818 0.921 1.00 40.02 C ATOM 321 C ALA A 21 -8.880 6.237 -0.356 1.00 3.41 C ATOM 322 O ALA A 21 -8.892 5.030 -0.549 1.00 3.23 O ATOM 323 CB ALA A 21 -10.926 7.285 0.660 1.00 1.53 C ATOM 0 H ALA A 21 -9.251 8.776 1.587 1.00 52.21 H new ATOM 0 HA ALA A 21 -9.493 6.029 1.673 1.00 40.02 H new ATOM 0 HB1 ALA A 21 -11.516 6.451 0.279 1.00 1.53 H new ATOM 0 HB2 ALA A 21 -11.366 7.646 1.590 1.00 1.53 H new ATOM 0 HB3 ALA A 21 -10.919 8.090 -0.075 1.00 1.53 H new ATOM 329 N GLU A 22 -8.317 7.095 -1.202 1.00 44.21 N ATOM 330 CA GLU A 22 -7.685 6.715 -2.453 1.00 3.01 C ATOM 331 C GLU A 22 -6.341 6.015 -2.205 1.00 60.15 C ATOM 332 O GLU A 22 -6.077 4.979 -2.812 1.00 63.23 O ATOM 333 CB GLU A 22 -7.494 7.981 -3.289 1.00 32.53 C ATOM 334 CG GLU A 22 -8.812 8.609 -3.768 1.00 21.33 C ATOM 335 CD GLU A 22 -9.105 8.214 -5.215 1.00 0.44 C ATOM 336 OE1 GLU A 22 -9.281 7.006 -5.493 1.00 33.12 O ATOM 337 OE2 GLU A 22 -9.096 9.121 -6.075 1.00 40.55 O ATOM 0 H GLU A 22 -8.289 8.100 -1.028 1.00 44.21 H new ATOM 0 HA GLU A 22 -8.318 6.005 -2.986 1.00 3.01 H new ATOM 0 HB2 GLU A 22 -6.945 8.715 -2.700 1.00 32.53 H new ATOM 0 HB3 GLU A 22 -6.878 7.744 -4.157 1.00 32.53 H new ATOM 0 HG2 GLU A 22 -9.630 8.285 -3.125 1.00 21.33 H new ATOM 0 HG3 GLU A 22 -8.754 9.694 -3.687 1.00 21.33 H new ATOM 344 N ALA A 23 -5.469 6.544 -1.329 1.00 33.13 N ATOM 345 CA ALA A 23 -4.219 5.856 -1.007 1.00 4.21 C ATOM 346 C ALA A 23 -4.513 4.490 -0.388 1.00 55.32 C ATOM 347 O ALA A 23 -3.796 3.530 -0.673 1.00 3.02 O ATOM 348 CB ALA A 23 -3.343 6.689 -0.063 1.00 0.20 C ATOM 0 H ALA A 23 -5.608 7.430 -0.842 1.00 33.13 H new ATOM 0 HA ALA A 23 -3.667 5.717 -1.936 1.00 4.21 H new ATOM 0 HB1 ALA A 23 -2.423 6.146 0.154 1.00 0.20 H new ATOM 0 HB2 ALA A 23 -3.100 7.640 -0.537 1.00 0.20 H new ATOM 0 HB3 ALA A 23 -3.883 6.874 0.866 1.00 0.20 H new ATOM 354 N ASN A 24 -5.570 4.423 0.428 1.00 34.14 N ATOM 355 CA ASN A 24 -6.124 3.199 1.001 1.00 3.12 C ATOM 356 C ASN A 24 -6.489 2.270 -0.151 1.00 21.23 C ATOM 357 O ASN A 24 -5.975 1.156 -0.205 1.00 42.43 O ATOM 358 CB ASN A 24 -7.351 3.500 1.893 1.00 41.04 C ATOM 359 CG ASN A 24 -7.137 3.364 3.402 1.00 0.02 C ATOM 360 OD1 ASN A 24 -6.071 2.990 3.893 1.00 64.23 O ATOM 361 ND2 ASN A 24 -8.158 3.720 4.174 1.00 53.54 N ATOM 0 H ASN A 24 -6.082 5.257 0.717 1.00 34.14 H new ATOM 0 HA ASN A 24 -5.386 2.721 1.646 1.00 3.12 H new ATOM 0 HB2 ASN A 24 -7.686 4.516 1.684 1.00 41.04 H new ATOM 0 HB3 ASN A 24 -8.160 2.831 1.600 1.00 41.04 H new ATOM 0 HD21 ASN A 24 -8.066 3.686 5.189 1.00 53.54 H new ATOM 0 HD22 ASN A 24 -9.034 4.027 3.751 1.00 53.54 H new ATOM 368 N ALA A 25 -7.312 2.748 -1.090 1.00 75.44 N ATOM 369 CA ALA A 25 -7.809 1.992 -2.228 1.00 42.01 C ATOM 370 C ALA A 25 -6.690 1.313 -2.998 1.00 72.23 C ATOM 371 O ALA A 25 -6.823 0.120 -3.263 1.00 12.41 O ATOM 372 CB ALA A 25 -8.627 2.859 -3.183 1.00 33.45 C ATOM 0 H ALA A 25 -7.659 3.707 -1.071 1.00 75.44 H new ATOM 0 HA ALA A 25 -8.460 1.224 -1.809 1.00 42.01 H new ATOM 0 HB1 ALA A 25 -8.977 2.251 -4.017 1.00 33.45 H new ATOM 0 HB2 ALA A 25 -9.484 3.275 -2.653 1.00 33.45 H new ATOM 0 HB3 ALA A 25 -8.005 3.670 -3.561 1.00 33.45 H new ATOM 378 N LEU A 26 -5.587 2.002 -3.334 1.00 52.45 N ATOM 379 CA LEU A 26 -4.470 1.379 -4.040 1.00 25.53 C ATOM 380 C LEU A 26 -3.935 0.150 -3.287 1.00 62.34 C ATOM 381 O LEU A 26 -3.498 -0.834 -3.891 1.00 53.04 O ATOM 382 CB LEU A 26 -3.330 2.390 -4.225 1.00 15.30 C ATOM 383 CG LEU A 26 -3.620 3.645 -5.073 1.00 22.44 C ATOM 384 CD1 LEU A 26 -2.284 4.335 -5.382 1.00 73.44 C ATOM 385 CD2 LEU A 26 -4.348 3.333 -6.383 1.00 4.51 C ATOM 0 H LEU A 26 -5.451 2.991 -3.125 1.00 52.45 H new ATOM 0 HA LEU A 26 -4.842 1.053 -5.012 1.00 25.53 H new ATOM 0 HB2 LEU A 26 -3.009 2.719 -3.237 1.00 15.30 H new ATOM 0 HB3 LEU A 26 -2.487 1.867 -4.676 1.00 15.30 H new ATOM 0 HG LEU A 26 -4.282 4.291 -4.497 1.00 22.44 H new ATOM 0 HD11 LEU A 26 -2.465 5.227 -5.982 1.00 73.44 H new ATOM 0 HD12 LEU A 26 -1.796 4.618 -4.449 1.00 73.44 H new ATOM 0 HD13 LEU A 26 -1.640 3.651 -5.935 1.00 73.44 H new ATOM 0 HD21 LEU A 26 -4.522 4.258 -6.932 1.00 4.51 H new ATOM 0 HD22 LEU A 26 -3.738 2.662 -6.987 1.00 4.51 H new ATOM 0 HD23 LEU A 26 -5.303 2.856 -6.164 1.00 4.51 H new ATOM 397 N VAL A 27 -3.993 0.160 -1.959 1.00 51.14 N ATOM 398 CA VAL A 27 -3.526 -0.938 -1.129 1.00 12.32 C ATOM 399 C VAL A 27 -4.668 -1.906 -0.785 1.00 24.10 C ATOM 400 O VAL A 27 -4.412 -2.975 -0.232 1.00 2.21 O ATOM 401 CB VAL A 27 -2.830 -0.390 0.118 1.00 41.23 C ATOM 402 CG1 VAL A 27 -2.076 -1.524 0.830 1.00 32.33 C ATOM 403 CG2 VAL A 27 -1.783 0.668 -0.254 1.00 20.31 C ATOM 0 H VAL A 27 -4.371 0.942 -1.425 1.00 51.14 H new ATOM 0 HA VAL A 27 -2.794 -1.518 -1.691 1.00 12.32 H new ATOM 0 HB VAL A 27 -3.600 0.046 0.755 1.00 41.23 H new ATOM 0 HG11 VAL A 27 -1.581 -1.131 1.718 1.00 32.33 H new ATOM 0 HG12 VAL A 27 -2.781 -2.302 1.122 1.00 32.33 H new ATOM 0 HG13 VAL A 27 -1.330 -1.945 0.155 1.00 32.33 H new ATOM 0 HG21 VAL A 27 -1.304 1.040 0.652 1.00 20.31 H new ATOM 0 HG22 VAL A 27 -1.031 0.222 -0.905 1.00 20.31 H new ATOM 0 HG23 VAL A 27 -2.269 1.494 -0.773 1.00 20.31 H new ATOM 413 N TRP A 28 -5.889 -1.663 -1.233 1.00 42.03 N ATOM 414 CA TRP A 28 -6.952 -2.653 -1.200 1.00 3.45 C ATOM 415 C TRP A 28 -6.971 -3.436 -2.515 1.00 21.44 C ATOM 416 O TRP A 28 -7.064 -4.669 -2.505 1.00 62.31 O ATOM 417 CB TRP A 28 -8.249 -1.911 -0.871 1.00 34.44 C ATOM 418 CG TRP A 28 -8.219 -1.132 0.418 1.00 31.24 C ATOM 419 CD1 TRP A 28 -7.336 -1.304 1.434 1.00 3.34 C ATOM 420 CD2 TRP A 28 -9.115 -0.067 0.862 1.00 13.31 C ATOM 421 NE1 TRP A 28 -7.647 -0.463 2.478 1.00 51.53 N ATOM 422 CE2 TRP A 28 -8.792 0.247 2.215 1.00 60.41 C ATOM 423 CE3 TRP A 28 -10.208 0.626 0.297 1.00 61.12 C ATOM 424 CZ2 TRP A 28 -9.596 1.063 3.014 1.00 61.14 C ATOM 425 CZ3 TRP A 28 -10.971 1.528 1.064 1.00 40.23 C ATOM 426 CH2 TRP A 28 -10.684 1.726 2.426 1.00 35.34 C ATOM 0 H TRP A 28 -6.172 -0.768 -1.632 1.00 42.03 H new ATOM 0 HA TRP A 28 -6.804 -3.410 -0.429 1.00 3.45 H new ATOM 0 HB2 TRP A 28 -8.477 -1.227 -1.688 1.00 34.44 H new ATOM 0 HB3 TRP A 28 -9.063 -2.634 -0.824 1.00 34.44 H new ATOM 0 HD1 TRP A 28 -6.510 -1.999 1.425 1.00 3.34 H new ATOM 0 HE1 TRP A 28 -7.099 -0.378 3.334 1.00 51.53 H new ATOM 0 HE3 TRP A 28 -10.463 0.462 -0.740 1.00 61.12 H new ATOM 0 HZ2 TRP A 28 -9.384 1.182 4.066 1.00 61.14 H new ATOM 0 HZ3 TRP A 28 -11.782 2.071 0.603 1.00 40.23 H new ATOM 0 HH2 TRP A 28 -11.299 2.387 3.018 1.00 35.34 H new ATOM 437 N GLN A 29 -6.809 -2.733 -3.637 1.00 73.22 N ATOM 438 CA GLN A 29 -6.969 -3.285 -4.981 1.00 20.45 C ATOM 439 C GLN A 29 -5.941 -4.371 -5.316 1.00 74.42 C ATOM 440 O GLN A 29 -6.314 -5.422 -5.829 1.00 61.34 O ATOM 441 CB GLN A 29 -6.967 -2.165 -6.041 1.00 12.23 C ATOM 442 CG GLN A 29 -5.743 -1.254 -6.056 1.00 64.51 C ATOM 443 CD GLN A 29 -5.755 -0.183 -7.140 1.00 4.30 C ATOM 444 OE1 GLN A 29 -4.769 0.006 -7.848 1.00 3.42 O ATOM 445 NE2 GLN A 29 -6.827 0.575 -7.247 1.00 14.13 N ATOM 0 H GLN A 29 -6.558 -1.744 -3.636 1.00 73.22 H new ATOM 0 HA GLN A 29 -7.942 -3.777 -4.998 1.00 20.45 H new ATOM 0 HB2 GLN A 29 -7.064 -2.624 -7.025 1.00 12.23 H new ATOM 0 HB3 GLN A 29 -7.852 -1.547 -5.888 1.00 12.23 H new ATOM 0 HG2 GLN A 29 -5.659 -0.767 -5.085 1.00 64.51 H new ATOM 0 HG3 GLN A 29 -4.852 -1.869 -6.183 1.00 64.51 H new ATOM 0 HE21 GLN A 29 -7.636 0.402 -6.650 1.00 14.13 H new ATOM 0 HE22 GLN A 29 -6.848 1.335 -7.927 1.00 14.13 H new ATOM 454 N ALA A 30 -4.652 -4.124 -5.077 1.00 20.10 N ATOM 455 CA ALA A 30 -3.560 -4.985 -5.530 1.00 34.43 C ATOM 456 C ALA A 30 -3.544 -6.318 -4.778 1.00 21.22 C ATOM 457 O ALA A 30 -3.174 -7.334 -5.381 1.00 22.11 O ATOM 458 CB ALA A 30 -2.219 -4.267 -5.372 1.00 25.20 C ATOM 0 H ALA A 30 -4.333 -3.308 -4.555 1.00 20.10 H new ATOM 0 HA ALA A 30 -3.724 -5.204 -6.585 1.00 34.43 H new ATOM 0 HB1 ALA A 30 -1.415 -4.919 -5.713 1.00 25.20 H new ATOM 0 HB2 ALA A 30 -2.223 -3.354 -5.967 1.00 25.20 H new ATOM 0 HB3 ALA A 30 -2.062 -4.016 -4.323 1.00 25.20 H new ATOM 464 N LEU A 31 -3.905 -6.324 -3.487 1.00 62.45 N ATOM 465 CA LEU A 31 -4.194 -7.545 -2.752 1.00 65.43 C ATOM 466 C LEU A 31 -5.397 -8.200 -3.415 1.00 31.21 C ATOM 467 O LEU A 31 -5.264 -9.315 -3.908 1.00 24.30 O ATOM 468 CB LEU A 31 -4.460 -7.299 -1.255 1.00 73.14 C ATOM 469 CG LEU A 31 -3.256 -7.204 -0.290 1.00 55.23 C ATOM 470 CD1 LEU A 31 -2.056 -8.068 -0.657 1.00 72.14 C ATOM 471 CD2 LEU A 31 -2.849 -5.760 -0.062 1.00 3.51 C ATOM 0 H LEU A 31 -4.003 -5.475 -2.929 1.00 62.45 H new ATOM 0 HA LEU A 31 -3.320 -8.195 -2.787 1.00 65.43 H new ATOM 0 HB2 LEU A 31 -5.026 -6.372 -1.169 1.00 73.14 H new ATOM 0 HB3 LEU A 31 -5.106 -8.101 -0.898 1.00 73.14 H new ATOM 0 HG LEU A 31 -3.619 -7.627 0.647 1.00 55.23 H new ATOM 0 HD11 LEU A 31 -1.267 -7.928 0.082 1.00 72.14 H new ATOM 0 HD12 LEU A 31 -2.354 -9.116 -0.676 1.00 72.14 H new ATOM 0 HD13 LEU A 31 -1.686 -7.778 -1.641 1.00 72.14 H new ATOM 0 HD21 LEU A 31 -2.000 -5.725 0.621 1.00 3.51 H new ATOM 0 HD22 LEU A 31 -2.569 -5.306 -1.013 1.00 3.51 H new ATOM 0 HD23 LEU A 31 -3.685 -5.210 0.370 1.00 3.51 H new ATOM 483 N GLY A 32 -6.540 -7.509 -3.477 1.00 5.05 N ATOM 484 CA GLY A 32 -7.735 -8.016 -4.142 1.00 61.21 C ATOM 485 C GLY A 32 -9.046 -7.679 -3.434 1.00 4.33 C ATOM 486 O GLY A 32 -10.072 -8.245 -3.805 1.00 5.50 O ATOM 0 H GLY A 32 -6.658 -6.583 -3.066 1.00 5.05 H new ATOM 0 HA2 GLY A 32 -7.770 -7.614 -5.155 1.00 61.21 H new ATOM 0 HA3 GLY A 32 -7.653 -9.099 -4.232 1.00 61.21 H new ATOM 490 N TYR A 33 -9.033 -6.805 -2.421 1.00 61.12 N ATOM 491 CA TYR A 33 -10.207 -6.371 -1.664 1.00 51.11 C ATOM 492 C TYR A 33 -10.998 -5.323 -2.463 1.00 40.33 C ATOM 493 O TYR A 33 -11.169 -4.183 -2.026 1.00 13.32 O ATOM 494 CB TYR A 33 -9.760 -5.784 -0.317 1.00 51.21 C ATOM 495 CG TYR A 33 -9.019 -6.717 0.616 1.00 4.43 C ATOM 496 CD1 TYR A 33 -9.734 -7.528 1.515 1.00 1.31 C ATOM 497 CD2 TYR A 33 -7.613 -6.702 0.652 1.00 64.43 C ATOM 498 CE1 TYR A 33 -9.059 -8.299 2.475 1.00 42.32 C ATOM 499 CE2 TYR A 33 -6.923 -7.495 1.583 1.00 22.35 C ATOM 500 CZ TYR A 33 -7.644 -8.280 2.512 1.00 15.14 C ATOM 501 OH TYR A 33 -6.952 -8.995 3.437 1.00 52.15 O ATOM 0 H TYR A 33 -8.172 -6.366 -2.096 1.00 61.12 H new ATOM 0 HA TYR A 33 -10.855 -7.229 -1.485 1.00 51.11 H new ATOM 0 HB2 TYR A 33 -9.122 -4.923 -0.516 1.00 51.21 H new ATOM 0 HB3 TYR A 33 -10.643 -5.413 0.203 1.00 51.21 H new ATOM 0 HD1 TYR A 33 -10.812 -7.558 1.467 1.00 1.31 H new ATOM 0 HD2 TYR A 33 -7.063 -6.079 -0.038 1.00 64.43 H new ATOM 0 HE1 TYR A 33 -9.614 -8.901 3.179 1.00 42.32 H new ATOM 0 HE2 TYR A 33 -5.843 -7.505 1.589 1.00 22.35 H new ATOM 0 HH TYR A 33 -7.066 -8.585 4.320 1.00 52.15 H new ATOM 511 N VAL A 34 -11.421 -5.658 -3.678 1.00 32.22 N ATOM 512 CA VAL A 34 -12.239 -4.783 -4.512 1.00 14.34 C ATOM 513 C VAL A 34 -13.687 -4.837 -4.009 1.00 1.33 C ATOM 514 O VAL A 34 -14.164 -5.880 -3.560 1.00 1.54 O ATOM 515 CB VAL A 34 -12.046 -5.134 -6.005 1.00 12.15 C ATOM 516 CG1 VAL A 34 -12.074 -6.633 -6.315 1.00 40.13 C ATOM 517 CG2 VAL A 34 -13.073 -4.465 -6.927 1.00 24.42 C ATOM 0 H VAL A 34 -11.204 -6.553 -4.116 1.00 32.22 H new ATOM 0 HA VAL A 34 -11.926 -3.742 -4.432 1.00 14.34 H new ATOM 0 HB VAL A 34 -11.047 -4.746 -6.204 1.00 12.15 H new ATOM 0 HG11 VAL A 34 -11.931 -6.786 -7.385 1.00 40.13 H new ATOM 0 HG12 VAL A 34 -11.275 -7.133 -5.767 1.00 40.13 H new ATOM 0 HG13 VAL A 34 -13.036 -7.049 -6.014 1.00 40.13 H new ATOM 0 HG21 VAL A 34 -12.878 -4.755 -7.960 1.00 24.42 H new ATOM 0 HG22 VAL A 34 -14.077 -4.782 -6.644 1.00 24.42 H new ATOM 0 HG23 VAL A 34 -12.995 -3.382 -6.833 1.00 24.42 H new ATOM 527 N TRP A 35 -14.386 -3.704 -4.054 1.00 55.05 N ATOM 528 CA TRP A 35 -15.810 -3.643 -3.766 1.00 62.54 C ATOM 529 C TRP A 35 -16.578 -4.283 -4.923 1.00 31.21 C ATOM 530 O TRP A 35 -16.379 -3.877 -6.074 1.00 51.23 O ATOM 531 CB TRP A 35 -16.211 -2.177 -3.611 1.00 24.42 C ATOM 532 CG TRP A 35 -17.668 -1.959 -3.437 1.00 44.14 C ATOM 533 CD1 TRP A 35 -18.514 -1.500 -4.381 1.00 54.12 C ATOM 534 CD2 TRP A 35 -18.476 -2.264 -2.273 1.00 61.14 C ATOM 535 NE1 TRP A 35 -19.788 -1.454 -3.866 1.00 55.41 N ATOM 536 CE2 TRP A 35 -19.830 -1.940 -2.576 1.00 63.11 C ATOM 537 CE3 TRP A 35 -18.191 -2.795 -0.999 1.00 5.43 C ATOM 538 CZ2 TRP A 35 -20.860 -2.134 -1.649 1.00 33.43 C ATOM 539 CZ3 TRP A 35 -19.216 -2.994 -0.062 1.00 1.20 C ATOM 540 CH2 TRP A 35 -20.542 -2.661 -0.387 1.00 20.32 C ATOM 0 H TRP A 35 -13.975 -2.801 -4.293 1.00 55.05 H new ATOM 0 HA TRP A 35 -16.041 -4.181 -2.847 1.00 62.54 H new ATOM 0 HB2 TRP A 35 -15.687 -1.758 -2.752 1.00 24.42 H new ATOM 0 HB3 TRP A 35 -15.875 -1.626 -4.489 1.00 24.42 H new ATOM 0 HD1 TRP A 35 -18.235 -1.213 -5.384 1.00 54.12 H new ATOM 0 HE1 TRP A 35 -20.600 -1.104 -4.374 1.00 55.41 H new ATOM 0 HE3 TRP A 35 -17.174 -3.051 -0.742 1.00 5.43 H new ATOM 0 HZ2 TRP A 35 -21.880 -1.883 -1.899 1.00 33.43 H new ATOM 0 HZ3 TRP A 35 -18.986 -3.404 0.910 1.00 1.20 H new ATOM 0 HH2 TRP A 35 -21.325 -2.812 0.342 1.00 20.32 H new ATOM 551 N ASP A 36 -17.459 -5.247 -4.636 1.00 4.33 N ATOM 552 CA ASP A 36 -18.364 -5.814 -5.626 1.00 14.32 C ATOM 553 C ASP A 36 -19.748 -5.215 -5.417 1.00 14.52 C ATOM 554 O ASP A 36 -20.530 -5.667 -4.583 1.00 53.44 O ATOM 555 CB ASP A 36 -18.359 -7.355 -5.607 1.00 32.10 C ATOM 556 CG ASP A 36 -18.089 -7.972 -6.984 1.00 21.13 C ATOM 557 OD1 ASP A 36 -17.560 -7.306 -7.910 1.00 3.00 O ATOM 558 OD2 ASP A 36 -18.419 -9.150 -7.199 1.00 21.22 O ATOM 0 H ASP A 36 -17.560 -5.653 -3.706 1.00 4.33 H new ATOM 0 HA ASP A 36 -18.021 -5.552 -6.627 1.00 14.32 H new ATOM 0 HB2 ASP A 36 -17.600 -7.701 -4.905 1.00 32.10 H new ATOM 0 HB3 ASP A 36 -19.321 -7.711 -5.238 1.00 32.10 H new ATOM 563 N GLU A 37 -20.024 -4.154 -6.168 1.00 71.41 N ATOM 564 CA GLU A 37 -21.259 -3.375 -6.187 1.00 25.43 C ATOM 565 C GLU A 37 -22.497 -4.236 -6.448 1.00 24.12 C ATOM 566 O GLU A 37 -23.565 -3.926 -5.921 1.00 64.21 O ATOM 567 CB GLU A 37 -21.036 -2.285 -7.246 1.00 40.33 C ATOM 568 CG GLU A 37 -22.237 -1.446 -7.713 1.00 14.21 C ATOM 569 CD GLU A 37 -21.852 -0.445 -8.818 1.00 21.14 C ATOM 570 OE1 GLU A 37 -20.676 -0.428 -9.269 1.00 13.33 O ATOM 571 OE2 GLU A 37 -22.727 0.313 -9.283 1.00 44.42 O ATOM 0 H GLU A 37 -19.339 -3.788 -6.829 1.00 71.41 H new ATOM 0 HA GLU A 37 -21.468 -2.931 -5.214 1.00 25.43 H new ATOM 0 HB2 GLU A 37 -20.285 -1.597 -6.858 1.00 40.33 H new ATOM 0 HB3 GLU A 37 -20.606 -2.763 -8.126 1.00 40.33 H new ATOM 0 HG2 GLU A 37 -23.020 -2.109 -8.082 1.00 14.21 H new ATOM 0 HG3 GLU A 37 -22.652 -0.905 -6.863 1.00 14.21 H new ATOM 578 N ALA A 38 -22.348 -5.333 -7.191 1.00 74.42 N ATOM 579 CA ALA A 38 -23.436 -6.264 -7.474 1.00 11.03 C ATOM 580 C ALA A 38 -23.833 -7.013 -6.205 1.00 4.40 C ATOM 581 O ALA A 38 -25.020 -7.203 -5.934 1.00 4.01 O ATOM 582 CB ALA A 38 -23.008 -7.288 -8.528 1.00 51.13 C ATOM 0 H ALA A 38 -21.460 -5.601 -7.616 1.00 74.42 H new ATOM 0 HA ALA A 38 -24.282 -5.687 -7.847 1.00 11.03 H new ATOM 0 HB1 ALA A 38 -23.832 -7.973 -8.725 1.00 51.13 H new ATOM 0 HB2 ALA A 38 -22.737 -6.771 -9.449 1.00 51.13 H new ATOM 0 HB3 ALA A 38 -22.149 -7.850 -8.162 1.00 51.13 H new ATOM 588 N GLN A 39 -22.833 -7.451 -5.436 1.00 4.33 N ATOM 589 CA GLN A 39 -23.009 -8.240 -4.222 1.00 21.10 C ATOM 590 C GLN A 39 -23.216 -7.336 -2.997 1.00 62.31 C ATOM 591 O GLN A 39 -23.565 -7.829 -1.924 1.00 54.21 O ATOM 592 CB GLN A 39 -21.795 -9.161 -4.019 1.00 12.52 C ATOM 593 CG GLN A 39 -21.642 -10.155 -5.172 1.00 35.10 C ATOM 594 CD GLN A 39 -20.577 -11.212 -4.900 1.00 73.34 C ATOM 595 OE1 GLN A 39 -20.752 -12.096 -4.065 1.00 12.43 O ATOM 596 NE2 GLN A 39 -19.464 -11.155 -5.604 1.00 0.05 N ATOM 0 H GLN A 39 -21.854 -7.260 -5.649 1.00 4.33 H new ATOM 0 HA GLN A 39 -23.904 -8.852 -4.334 1.00 21.10 H new ATOM 0 HB2 GLN A 39 -20.891 -8.558 -3.935 1.00 12.52 H new ATOM 0 HB3 GLN A 39 -21.903 -9.705 -3.081 1.00 12.52 H new ATOM 0 HG2 GLN A 39 -22.598 -10.646 -5.352 1.00 35.10 H new ATOM 0 HG3 GLN A 39 -21.386 -9.613 -6.082 1.00 35.10 H new ATOM 0 HE21 GLN A 39 -19.334 -10.415 -6.294 1.00 0.05 H new ATOM 0 HE22 GLN A 39 -18.733 -11.851 -5.459 1.00 0.05 H new ATOM 605 N SER A 40 -22.965 -6.033 -3.156 1.00 15.01 N ATOM 606 CA SER A 40 -22.816 -5.021 -2.126 1.00 1.21 C ATOM 607 C SER A 40 -21.935 -5.480 -0.959 1.00 4.32 C ATOM 608 O SER A 40 -22.215 -5.165 0.203 1.00 43.04 O ATOM 609 CB SER A 40 -24.176 -4.467 -1.704 1.00 40.05 C ATOM 610 OG SER A 40 -24.881 -3.987 -2.834 1.00 3.20 O ATOM 0 H SER A 40 -22.853 -5.634 -4.088 1.00 15.01 H new ATOM 0 HA SER A 40 -22.265 -4.186 -2.558 1.00 1.21 H new ATOM 0 HB2 SER A 40 -24.756 -5.246 -1.208 1.00 40.05 H new ATOM 0 HB3 SER A 40 -24.041 -3.662 -0.982 1.00 40.05 H new ATOM 0 HG SER A 40 -25.751 -3.636 -2.552 1.00 3.20 H new ATOM 616 N CYS A 41 -20.845 -6.193 -1.268 1.00 41.03 N ATOM 617 CA CYS A 41 -19.844 -6.555 -0.272 1.00 1.44 C ATOM 618 C CYS A 41 -18.455 -6.550 -0.895 1.00 32.14 C ATOM 619 O CYS A 41 -18.284 -6.660 -2.112 1.00 32.23 O ATOM 620 CB CYS A 41 -20.123 -7.944 0.322 1.00 0.52 C ATOM 621 SG CYS A 41 -21.488 -7.905 1.513 1.00 54.43 S ATOM 0 H CYS A 41 -20.638 -6.530 -2.208 1.00 41.03 H new ATOM 0 HA CYS A 41 -19.894 -5.816 0.528 1.00 1.44 H new ATOM 0 HB2 CYS A 41 -20.361 -8.642 -0.481 1.00 0.52 H new ATOM 0 HB3 CYS A 41 -19.224 -8.317 0.812 1.00 0.52 H new ATOM 0 HG CYS A 41 -22.188 -6.824 1.336 1.00 54.43 H new ATOM 627 N TRP A 42 -17.450 -6.512 -0.028 1.00 3.14 N ATOM 628 CA TRP A 42 -16.047 -6.628 -0.382 1.00 44.54 C ATOM 629 C TRP A 42 -15.768 -8.011 -0.952 1.00 65.22 C ATOM 630 O TRP A 42 -15.896 -9.018 -0.253 1.00 35.31 O ATOM 631 CB TRP A 42 -15.198 -6.386 0.861 1.00 32.32 C ATOM 632 CG TRP A 42 -15.322 -5.007 1.409 1.00 25.23 C ATOM 633 CD1 TRP A 42 -15.945 -4.662 2.558 1.00 64.14 C ATOM 634 CD2 TRP A 42 -14.898 -3.765 0.782 1.00 32.22 C ATOM 635 NE1 TRP A 42 -15.951 -3.288 2.667 1.00 33.31 N ATOM 636 CE2 TRP A 42 -15.318 -2.686 1.605 1.00 5.55 C ATOM 637 CE3 TRP A 42 -14.231 -3.445 -0.417 1.00 54.33 C ATOM 638 CZ2 TRP A 42 -15.084 -1.351 1.259 1.00 32.20 C ATOM 639 CZ3 TRP A 42 -14.028 -2.105 -0.791 1.00 24.22 C ATOM 640 CH2 TRP A 42 -14.453 -1.057 0.041 1.00 45.34 C ATOM 0 H TRP A 42 -17.598 -6.395 0.974 1.00 3.14 H new ATOM 0 HA TRP A 42 -15.796 -5.886 -1.140 1.00 44.54 H new ATOM 0 HB2 TRP A 42 -15.485 -7.101 1.632 1.00 32.32 H new ATOM 0 HB3 TRP A 42 -14.153 -6.580 0.620 1.00 32.32 H new ATOM 0 HD1 TRP A 42 -16.369 -5.351 3.274 1.00 64.14 H new ATOM 0 HE1 TRP A 42 -16.374 -2.779 3.443 1.00 33.31 H new ATOM 0 HE3 TRP A 42 -13.872 -4.238 -1.056 1.00 54.33 H new ATOM 0 HZ2 TRP A 42 -15.386 -0.555 1.923 1.00 32.20 H new ATOM 0 HZ3 TRP A 42 -13.540 -1.880 -1.728 1.00 24.22 H new ATOM 0 HH2 TRP A 42 -14.295 -0.030 -0.255 1.00 45.34 H new ATOM 651 N LYS A 43 -15.412 -8.085 -2.230 1.00 23.30 N ATOM 652 CA LYS A 43 -14.963 -9.267 -2.881 1.00 54.03 C ATOM 653 C LYS A 43 -13.657 -9.701 -2.240 1.00 11.23 C ATOM 654 O LYS A 43 -12.798 -8.850 -2.004 1.00 0.34 O ATOM 655 CB LYS A 43 -14.736 -8.859 -4.339 1.00 24.34 C ATOM 656 CG LYS A 43 -15.039 -10.060 -5.189 1.00 64.41 C ATOM 657 CD LYS A 43 -14.345 -10.004 -6.548 1.00 51.13 C ATOM 658 CE LYS A 43 -15.035 -8.969 -7.438 1.00 12.25 C ATOM 659 NZ LYS A 43 -14.611 -9.040 -8.845 1.00 25.30 N ATOM 0 H LYS A 43 -15.437 -7.276 -2.850 1.00 23.30 H new ATOM 0 HA LYS A 43 -15.669 -10.094 -2.807 1.00 54.03 H new ATOM 0 HB2 LYS A 43 -15.382 -8.023 -4.610 1.00 24.34 H new ATOM 0 HB3 LYS A 43 -13.708 -8.530 -4.491 1.00 24.34 H new ATOM 0 HG2 LYS A 43 -14.727 -10.962 -4.662 1.00 64.41 H new ATOM 0 HG3 LYS A 43 -16.116 -10.134 -5.337 1.00 64.41 H new ATOM 0 HD2 LYS A 43 -13.294 -9.745 -6.420 1.00 51.13 H new ATOM 0 HD3 LYS A 43 -14.376 -10.984 -7.023 1.00 51.13 H new ATOM 0 HE2 LYS A 43 -16.114 -9.113 -7.383 1.00 12.25 H new ATOM 0 HE3 LYS A 43 -14.827 -7.971 -7.052 1.00 12.25 H new ATOM 0 HZ1 LYS A 43 -15.113 -8.315 -9.396 1.00 25.30 H new ATOM 0 HZ2 LYS A 43 -13.586 -8.874 -8.908 1.00 25.30 H new ATOM 0 HZ3 LYS A 43 -14.834 -9.981 -9.228 1.00 25.30 H new ATOM 673 N THR A 44 -13.454 -11.005 -2.059 1.00 74.54 N ATOM 674 CA THR A 44 -12.155 -11.521 -1.651 1.00 73.13 C ATOM 675 C THR A 44 -11.640 -12.636 -2.571 1.00 72.15 C ATOM 676 O THR A 44 -10.579 -13.197 -2.317 1.00 22.52 O ATOM 677 CB THR A 44 -12.129 -11.864 -0.153 1.00 2.43 C ATOM 678 OG1 THR A 44 -12.970 -12.948 0.163 1.00 61.33 O ATOM 679 CG2 THR A 44 -12.473 -10.670 0.734 1.00 22.13 C ATOM 0 H THR A 44 -14.171 -11.718 -2.189 1.00 74.54 H new ATOM 0 HA THR A 44 -11.428 -10.719 -1.779 1.00 73.13 H new ATOM 0 HB THR A 44 -11.099 -12.153 0.055 1.00 2.43 H new ATOM 0 HG1 THR A 44 -12.920 -13.131 1.124 1.00 61.33 H new ATOM 0 HG21 THR A 44 -12.439 -10.972 1.781 1.00 22.13 H new ATOM 0 HG22 THR A 44 -11.752 -9.870 0.564 1.00 22.13 H new ATOM 0 HG23 THR A 44 -13.474 -10.313 0.492 1.00 22.13 H new ATOM 687 N ASP A 45 -12.313 -12.925 -3.692 1.00 4.04 N ATOM 688 CA ASP A 45 -11.881 -13.989 -4.608 1.00 43.24 C ATOM 689 C ASP A 45 -10.494 -13.656 -5.155 1.00 44.04 C ATOM 690 O ASP A 45 -9.665 -14.525 -5.418 1.00 21.44 O ATOM 691 CB ASP A 45 -12.826 -14.067 -5.814 1.00 32.12 C ATOM 692 CG ASP A 45 -14.239 -14.554 -5.509 1.00 40.02 C ATOM 693 OD1 ASP A 45 -14.857 -14.057 -4.543 1.00 71.42 O ATOM 694 OD2 ASP A 45 -14.799 -15.343 -6.308 1.00 43.42 O ATOM 0 H ASP A 45 -13.159 -12.437 -3.987 1.00 4.04 H new ATOM 0 HA ASP A 45 -11.879 -14.930 -4.058 1.00 43.24 H new ATOM 0 HB2 ASP A 45 -12.891 -13.078 -6.267 1.00 32.12 H new ATOM 0 HB3 ASP A 45 -12.384 -14.730 -6.558 1.00 32.12 H new ATOM 699 N LEU A 46 -10.243 -12.357 -5.331 1.00 40.33 N ATOM 700 CA LEU A 46 -9.086 -11.823 -5.999 1.00 53.41 C ATOM 701 C LEU A 46 -7.882 -11.669 -5.074 1.00 14.14 C ATOM 702 O LEU A 46 -6.880 -11.111 -5.523 1.00 2.44 O ATOM 703 CB LEU A 46 -9.483 -10.491 -6.664 1.00 20.43 C ATOM 704 CG LEU A 46 -10.378 -10.690 -7.899 1.00 40.42 C ATOM 705 CD1 LEU A 46 -10.835 -9.335 -8.428 1.00 60.55 C ATOM 706 CD2 LEU A 46 -9.629 -11.431 -9.004 1.00 5.14 C ATOM 0 H LEU A 46 -10.875 -11.631 -4.993 1.00 40.33 H new ATOM 0 HA LEU A 46 -8.761 -12.532 -6.761 1.00 53.41 H new ATOM 0 HB2 LEU A 46 -10.005 -9.868 -5.938 1.00 20.43 H new ATOM 0 HB3 LEU A 46 -8.582 -9.952 -6.956 1.00 20.43 H new ATOM 0 HG LEU A 46 -11.241 -11.285 -7.600 1.00 40.42 H new ATOM 0 HD11 LEU A 46 -11.469 -9.481 -9.303 1.00 60.55 H new ATOM 0 HD12 LEU A 46 -11.399 -8.814 -7.654 1.00 60.55 H new ATOM 0 HD13 LEU A 46 -9.965 -8.740 -8.706 1.00 60.55 H new ATOM 0 HD21 LEU A 46 -10.284 -11.559 -9.866 1.00 5.14 H new ATOM 0 HD22 LEU A 46 -8.751 -10.855 -9.298 1.00 5.14 H new ATOM 0 HD23 LEU A 46 -9.316 -12.409 -8.639 1.00 5.14 H new ATOM 718 N VAL A 47 -7.981 -12.116 -3.818 1.00 64.21 N ATOM 719 CA VAL A 47 -6.951 -11.955 -2.790 1.00 41.44 C ATOM 720 C VAL A 47 -6.495 -13.317 -2.258 1.00 2.24 C ATOM 721 O VAL A 47 -7.208 -14.317 -2.371 1.00 72.41 O ATOM 722 CB VAL A 47 -7.403 -10.903 -1.745 1.00 62.44 C ATOM 723 CG1 VAL A 47 -8.822 -10.966 -1.240 1.00 25.10 C ATOM 724 CG2 VAL A 47 -6.475 -10.711 -0.541 1.00 71.55 C ATOM 0 H VAL A 47 -8.804 -12.614 -3.480 1.00 64.21 H new ATOM 0 HA VAL A 47 -6.037 -11.535 -3.209 1.00 41.44 H new ATOM 0 HB VAL A 47 -7.339 -10.033 -2.398 1.00 62.44 H new ATOM 0 HG11 VAL A 47 -8.987 -10.167 -0.517 1.00 25.10 H new ATOM 0 HG12 VAL A 47 -9.511 -10.846 -2.076 1.00 25.10 H new ATOM 0 HG13 VAL A 47 -8.996 -11.930 -0.762 1.00 25.10 H new ATOM 0 HG21 VAL A 47 -6.891 -9.952 0.122 1.00 71.55 H new ATOM 0 HG22 VAL A 47 -6.381 -11.653 -0.001 1.00 71.55 H new ATOM 0 HG23 VAL A 47 -5.492 -10.391 -0.887 1.00 71.55 H new ATOM 734 N ALA A 48 -5.274 -13.385 -1.719 1.00 11.03 N ATOM 735 CA ALA A 48 -4.714 -14.599 -1.141 1.00 1.21 C ATOM 736 C ALA A 48 -5.465 -14.974 0.143 1.00 74.24 C ATOM 737 O ALA A 48 -5.859 -14.079 0.900 1.00 74.23 O ATOM 738 CB ALA A 48 -3.228 -14.390 -0.849 1.00 23.20 C ATOM 0 H ALA A 48 -4.643 -12.585 -1.674 1.00 11.03 H new ATOM 0 HA ALA A 48 -4.824 -15.417 -1.853 1.00 1.21 H new ATOM 0 HB1 ALA A 48 -2.811 -15.299 -0.417 1.00 23.20 H new ATOM 0 HB2 ALA A 48 -2.705 -14.156 -1.776 1.00 23.20 H new ATOM 0 HB3 ALA A 48 -3.108 -13.566 -0.146 1.00 23.20 H new ATOM 744 N PRO A 49 -5.622 -16.277 0.437 1.00 52.34 N ATOM 745 CA PRO A 49 -6.359 -16.754 1.594 1.00 12.43 C ATOM 746 C PRO A 49 -5.734 -16.250 2.893 1.00 33.51 C ATOM 747 O PRO A 49 -6.476 -15.851 3.786 1.00 64.21 O ATOM 748 CB PRO A 49 -6.368 -18.280 1.484 1.00 53.24 C ATOM 749 CG PRO A 49 -5.135 -18.598 0.649 1.00 0.25 C ATOM 750 CD PRO A 49 -5.051 -17.398 -0.287 1.00 74.33 C ATOM 0 HA PRO A 49 -7.380 -16.374 1.614 1.00 12.43 H new ATOM 0 HB2 PRO A 49 -6.317 -18.751 2.466 1.00 53.24 H new ATOM 0 HB3 PRO A 49 -7.278 -18.640 1.004 1.00 53.24 H new ATOM 0 HG2 PRO A 49 -4.241 -18.695 1.266 1.00 0.25 H new ATOM 0 HG3 PRO A 49 -5.247 -19.533 0.100 1.00 0.25 H new ATOM 0 HD2 PRO A 49 -4.017 -17.194 -0.567 1.00 74.33 H new ATOM 0 HD3 PRO A 49 -5.600 -17.585 -1.210 1.00 74.33 H new ATOM 758 N GLU A 50 -4.399 -16.189 2.976 1.00 53.03 N ATOM 759 CA GLU A 50 -3.695 -15.681 4.149 1.00 51.05 C ATOM 760 C GLU A 50 -4.106 -14.251 4.492 1.00 55.41 C ATOM 761 O GLU A 50 -4.128 -13.893 5.666 1.00 15.53 O ATOM 762 CB GLU A 50 -2.173 -15.769 3.941 1.00 52.01 C ATOM 763 CG GLU A 50 -1.596 -14.802 2.885 1.00 24.11 C ATOM 764 CD GLU A 50 -0.100 -15.037 2.668 1.00 11.53 C ATOM 765 OE1 GLU A 50 0.251 -16.144 2.195 1.00 0.01 O ATOM 766 OE2 GLU A 50 0.721 -14.150 3.014 1.00 12.11 O ATOM 0 H GLU A 50 -3.779 -16.493 2.226 1.00 53.03 H new ATOM 0 HA GLU A 50 -3.976 -16.309 4.994 1.00 51.05 H new ATOM 0 HB2 GLU A 50 -1.681 -15.576 4.894 1.00 52.01 H new ATOM 0 HB3 GLU A 50 -1.920 -16.789 3.652 1.00 52.01 H new ATOM 0 HG2 GLU A 50 -2.127 -14.933 1.942 1.00 24.11 H new ATOM 0 HG3 GLU A 50 -1.761 -13.773 3.204 1.00 24.11 H new ATOM 773 N TRP A 51 -4.408 -13.432 3.480 1.00 21.44 N ATOM 774 CA TRP A 51 -4.811 -12.050 3.652 1.00 54.14 C ATOM 775 C TRP A 51 -6.277 -11.995 4.054 1.00 60.51 C ATOM 776 O TRP A 51 -6.601 -11.458 5.111 1.00 20.21 O ATOM 777 CB TRP A 51 -4.482 -11.238 2.390 1.00 0.23 C ATOM 778 CG TRP A 51 -3.133 -10.588 2.432 1.00 20.43 C ATOM 779 CD1 TRP A 51 -2.014 -11.029 1.821 1.00 64.23 C ATOM 780 CD2 TRP A 51 -2.743 -9.382 3.155 1.00 3.23 C ATOM 781 NE1 TRP A 51 -0.964 -10.181 2.104 1.00 62.32 N ATOM 782 CE2 TRP A 51 -1.349 -9.144 2.937 1.00 55.31 C ATOM 783 CE3 TRP A 51 -3.433 -8.474 3.989 1.00 2.31 C ATOM 784 CZ2 TRP A 51 -0.680 -8.052 3.528 1.00 24.32 C ATOM 785 CZ3 TRP A 51 -2.768 -7.388 4.587 1.00 71.55 C ATOM 786 CH2 TRP A 51 -1.399 -7.172 4.353 1.00 54.43 C ATOM 0 H TRP A 51 -4.376 -13.725 2.504 1.00 21.44 H new ATOM 0 HA TRP A 51 -4.247 -11.585 4.460 1.00 54.14 H new ATOM 0 HB2 TRP A 51 -4.533 -11.895 1.522 1.00 0.23 H new ATOM 0 HB3 TRP A 51 -5.243 -10.469 2.254 1.00 0.23 H new ATOM 0 HD1 TRP A 51 -1.950 -11.913 1.203 1.00 64.23 H new ATOM 0 HE1 TRP A 51 -0.018 -10.303 1.743 1.00 62.32 H new ATOM 0 HE3 TRP A 51 -4.488 -8.616 4.170 1.00 2.31 H new ATOM 0 HZ2 TRP A 51 0.373 -7.894 3.348 1.00 24.32 H new ATOM 0 HZ3 TRP A 51 -3.314 -6.715 5.231 1.00 71.55 H new ATOM 0 HH2 TRP A 51 -0.900 -6.329 4.808 1.00 54.43 H new ATOM 797 N ARG A 52 -7.173 -12.553 3.236 1.00 0.20 N ATOM 798 CA ARG A 52 -8.607 -12.408 3.484 1.00 54.01 C ATOM 799 C ARG A 52 -9.105 -13.170 4.718 1.00 72.12 C ATOM 800 O ARG A 52 -10.216 -12.891 5.161 1.00 52.02 O ATOM 801 CB ARG A 52 -9.398 -12.728 2.216 1.00 22.45 C ATOM 802 CG ARG A 52 -9.399 -14.206 1.797 1.00 43.41 C ATOM 803 CD ARG A 52 -9.126 -14.352 0.293 1.00 33.52 C ATOM 804 NE ARG A 52 -9.444 -15.702 -0.192 1.00 12.44 N ATOM 805 CZ ARG A 52 -10.660 -16.203 -0.440 1.00 12.11 C ATOM 806 NH1 ARG A 52 -11.766 -15.474 -0.368 1.00 12.42 N ATOM 807 NH2 ARG A 52 -10.743 -17.484 -0.756 1.00 71.12 N ATOM 0 H ARG A 52 -6.935 -13.101 2.409 1.00 0.20 H new ATOM 0 HA ARG A 52 -8.786 -11.363 3.736 1.00 54.01 H new ATOM 0 HB2 ARG A 52 -10.430 -12.408 2.361 1.00 22.45 H new ATOM 0 HB3 ARG A 52 -8.993 -12.135 1.396 1.00 22.45 H new ATOM 0 HG2 ARG A 52 -8.641 -14.748 2.362 1.00 43.41 H new ATOM 0 HG3 ARG A 52 -10.361 -14.656 2.041 1.00 43.41 H new ATOM 0 HD2 ARG A 52 -9.718 -13.620 -0.256 1.00 33.52 H new ATOM 0 HD3 ARG A 52 -8.078 -14.131 0.091 1.00 33.52 H new ATOM 0 HE ARG A 52 -8.653 -16.324 -0.357 1.00 12.44 H new ATOM 0 HH11 ARG A 52 -11.711 -14.487 -0.115 1.00 12.42 H new ATOM 0 HH12 ARG A 52 -12.671 -15.900 -0.566 1.00 12.42 H new ATOM 0 HH21 ARG A 52 -9.898 -18.053 -0.804 1.00 71.12 H new ATOM 0 HH22 ARG A 52 -11.652 -17.903 -0.952 1.00 71.12 H new ATOM 821 N GLN A 53 -8.305 -14.086 5.275 1.00 53.21 N ATOM 822 CA GLN A 53 -8.671 -15.039 6.320 1.00 11.33 C ATOM 823 C GLN A 53 -9.479 -14.415 7.458 1.00 52.41 C ATOM 824 O GLN A 53 -10.504 -14.962 7.846 1.00 11.25 O ATOM 825 CB GLN A 53 -7.388 -15.718 6.853 1.00 73.23 C ATOM 826 CG GLN A 53 -7.446 -17.233 6.634 1.00 11.21 C ATOM 827 CD GLN A 53 -6.140 -17.937 7.009 1.00 53.21 C ATOM 828 OE1 GLN A 53 -5.565 -17.706 8.072 1.00 33.51 O ATOM 829 NE2 GLN A 53 -5.661 -18.856 6.187 1.00 11.24 N ATOM 0 H GLN A 53 -7.331 -14.185 4.990 1.00 53.21 H new ATOM 0 HA GLN A 53 -9.331 -15.782 5.873 1.00 11.33 H new ATOM 0 HB2 GLN A 53 -6.515 -15.306 6.347 1.00 73.23 H new ATOM 0 HB3 GLN A 53 -7.271 -15.503 7.915 1.00 73.23 H new ATOM 0 HG2 GLN A 53 -8.261 -17.650 7.226 1.00 11.21 H new ATOM 0 HG3 GLN A 53 -7.675 -17.436 5.588 1.00 11.21 H new ATOM 0 HE21 GLN A 53 -6.136 -19.049 5.305 1.00 11.24 H new ATOM 0 HE22 GLN A 53 -4.817 -19.372 6.435 1.00 11.24 H new ATOM 838 N ASP A 54 -9.031 -13.264 7.956 1.00 52.41 N ATOM 839 CA ASP A 54 -9.577 -12.595 9.137 1.00 41.33 C ATOM 840 C ASP A 54 -9.985 -11.160 8.772 1.00 4.02 C ATOM 841 O ASP A 54 -10.165 -10.311 9.647 1.00 40.22 O ATOM 842 CB ASP A 54 -8.525 -12.581 10.264 1.00 22.43 C ATOM 843 CG ASP A 54 -8.358 -13.878 11.055 1.00 34.40 C ATOM 844 OD1 ASP A 54 -8.903 -14.940 10.690 1.00 62.23 O ATOM 845 OD2 ASP A 54 -7.597 -13.841 12.053 1.00 52.42 O ATOM 0 H ASP A 54 -8.253 -12.755 7.536 1.00 52.41 H new ATOM 0 HA ASP A 54 -10.456 -13.136 9.486 1.00 41.33 H new ATOM 0 HB2 ASP A 54 -7.561 -12.321 9.828 1.00 22.43 H new ATOM 0 HB3 ASP A 54 -8.784 -11.786 10.963 1.00 22.43 H new ATOM 850 N TYR A 55 -10.069 -10.849 7.477 1.00 64.33 N ATOM 851 CA TYR A 55 -10.205 -9.507 6.938 1.00 11.53 C ATOM 852 C TYR A 55 -11.567 -9.439 6.239 1.00 34.44 C ATOM 853 O TYR A 55 -11.622 -9.586 5.019 1.00 41.02 O ATOM 854 CB TYR A 55 -9.037 -9.182 5.991 1.00 65.34 C ATOM 855 CG TYR A 55 -7.734 -8.792 6.666 1.00 5.13 C ATOM 856 CD1 TYR A 55 -7.145 -9.619 7.643 1.00 51.21 C ATOM 857 CD2 TYR A 55 -7.124 -7.564 6.346 1.00 53.35 C ATOM 858 CE1 TYR A 55 -6.056 -9.166 8.398 1.00 20.50 C ATOM 859 CE2 TYR A 55 -6.009 -7.121 7.071 1.00 12.13 C ATOM 860 CZ TYR A 55 -5.506 -7.896 8.138 1.00 41.22 C ATOM 861 OH TYR A 55 -4.560 -7.387 8.966 1.00 1.34 O ATOM 0 H TYR A 55 -10.042 -11.562 6.748 1.00 64.33 H new ATOM 0 HA TYR A 55 -10.165 -8.755 7.726 1.00 11.53 H new ATOM 0 HB2 TYR A 55 -8.852 -10.051 5.359 1.00 65.34 H new ATOM 0 HB3 TYR A 55 -9.342 -8.369 5.333 1.00 65.34 H new ATOM 0 HD1 TYR A 55 -7.537 -10.611 7.811 1.00 51.21 H new ATOM 0 HD2 TYR A 55 -7.516 -6.962 5.540 1.00 53.35 H new ATOM 0 HE1 TYR A 55 -5.640 -9.788 9.176 1.00 20.50 H new ATOM 0 HE2 TYR A 55 -5.534 -6.186 6.813 1.00 12.13 H new ATOM 0 HH TYR A 55 -4.042 -8.120 9.360 1.00 1.34 H new ATOM 871 N PRO A 56 -12.675 -9.268 6.984 1.00 4.52 N ATOM 872 CA PRO A 56 -13.989 -9.049 6.393 1.00 23.10 C ATOM 873 C PRO A 56 -14.041 -7.691 5.685 1.00 43.53 C ATOM 874 O PRO A 56 -14.723 -7.548 4.673 1.00 63.43 O ATOM 875 CB PRO A 56 -14.978 -9.118 7.563 1.00 3.03 C ATOM 876 CG PRO A 56 -14.142 -8.707 8.775 1.00 2.22 C ATOM 877 CD PRO A 56 -12.752 -9.241 8.436 1.00 14.40 C ATOM 0 HA PRO A 56 -14.229 -9.792 5.633 1.00 23.10 H new ATOM 0 HB2 PRO A 56 -15.822 -8.445 7.413 1.00 3.03 H new ATOM 0 HB3 PRO A 56 -15.387 -10.121 7.682 1.00 3.03 H new ATOM 0 HG2 PRO A 56 -14.136 -7.626 8.912 1.00 2.22 H new ATOM 0 HG3 PRO A 56 -14.527 -9.143 9.697 1.00 2.22 H new ATOM 0 HD2 PRO A 56 -11.976 -8.602 8.856 1.00 14.40 H new ATOM 0 HD3 PRO A 56 -12.605 -10.237 8.853 1.00 14.40 H new ATOM 885 N GLU A 57 -13.278 -6.710 6.164 1.00 24.24 N ATOM 886 CA GLU A 57 -13.273 -5.327 5.717 1.00 5.44 C ATOM 887 C GLU A 57 -11.838 -4.937 5.341 1.00 11.25 C ATOM 888 O GLU A 57 -10.889 -5.630 5.735 1.00 52.11 O ATOM 889 CB GLU A 57 -13.798 -4.433 6.853 1.00 41.23 C ATOM 890 CG GLU A 57 -15.017 -3.605 6.445 1.00 54.32 C ATOM 891 CD GLU A 57 -15.072 -2.339 7.296 1.00 12.43 C ATOM 892 OE1 GLU A 57 -15.694 -2.373 8.382 1.00 53.03 O ATOM 893 OE2 GLU A 57 -14.405 -1.346 6.928 1.00 1.23 O ATOM 0 H GLU A 57 -12.610 -6.873 6.917 1.00 24.24 H new ATOM 0 HA GLU A 57 -13.916 -5.201 4.846 1.00 5.44 H new ATOM 0 HB2 GLU A 57 -14.059 -5.057 7.708 1.00 41.23 H new ATOM 0 HB3 GLU A 57 -13.002 -3.763 7.178 1.00 41.23 H new ATOM 0 HG2 GLU A 57 -14.958 -3.345 5.388 1.00 54.32 H new ATOM 0 HG3 GLU A 57 -15.929 -4.187 6.579 1.00 54.32 H new ATOM 900 N PRO A 58 -11.642 -3.853 4.571 1.00 2.32 N ATOM 901 CA PRO A 58 -10.323 -3.495 4.100 1.00 44.41 C ATOM 902 C PRO A 58 -9.530 -2.772 5.210 1.00 1.50 C ATOM 903 O PRO A 58 -10.128 -2.175 6.110 1.00 41.54 O ATOM 904 CB PRO A 58 -10.603 -2.629 2.880 1.00 34.21 C ATOM 905 CG PRO A 58 -11.851 -1.849 3.276 1.00 21.32 C ATOM 906 CD PRO A 58 -12.621 -2.874 4.108 1.00 72.14 C ATOM 0 HA PRO A 58 -9.695 -4.346 3.838 1.00 44.41 H new ATOM 0 HB2 PRO A 58 -9.768 -1.965 2.659 1.00 34.21 H new ATOM 0 HB3 PRO A 58 -10.773 -3.234 1.989 1.00 34.21 H new ATOM 0 HG2 PRO A 58 -11.608 -0.957 3.853 1.00 21.32 H new ATOM 0 HG3 PRO A 58 -12.420 -1.521 2.406 1.00 21.32 H new ATOM 0 HD2 PRO A 58 -13.118 -2.394 4.951 1.00 72.14 H new ATOM 0 HD3 PRO A 58 -13.397 -3.354 3.511 1.00 72.14 H new ATOM 914 N PRO A 59 -8.189 -2.826 5.171 1.00 42.21 N ATOM 915 CA PRO A 59 -7.328 -2.284 6.216 1.00 1.21 C ATOM 916 C PRO A 59 -7.185 -0.762 6.107 1.00 72.54 C ATOM 917 O PRO A 59 -6.651 -0.257 5.119 1.00 14.40 O ATOM 918 CB PRO A 59 -5.990 -2.998 6.028 1.00 40.52 C ATOM 919 CG PRO A 59 -5.957 -3.351 4.543 1.00 32.34 C ATOM 920 CD PRO A 59 -7.419 -3.609 4.217 1.00 13.14 C ATOM 0 HA PRO A 59 -7.741 -2.452 7.210 1.00 1.21 H new ATOM 0 HB2 PRO A 59 -5.154 -2.355 6.303 1.00 40.52 H new ATOM 0 HB3 PRO A 59 -5.924 -3.890 6.651 1.00 40.52 H new ATOM 0 HG2 PRO A 59 -5.548 -2.537 3.944 1.00 32.34 H new ATOM 0 HG3 PRO A 59 -5.340 -4.229 4.351 1.00 32.34 H new ATOM 0 HD2 PRO A 59 -7.648 -3.312 3.194 1.00 13.14 H new ATOM 0 HD3 PRO A 59 -7.656 -4.670 4.302 1.00 13.14 H new ATOM 928 N ASP A 60 -7.626 -0.022 7.124 1.00 1.04 N ATOM 929 CA ASP A 60 -7.622 1.441 7.112 1.00 13.43 C ATOM 930 C ASP A 60 -6.278 2.004 7.589 1.00 20.41 C ATOM 931 O ASP A 60 -6.152 2.452 8.731 1.00 65.32 O ATOM 932 CB ASP A 60 -8.758 1.973 7.995 1.00 11.30 C ATOM 933 CG ASP A 60 -8.917 3.490 7.874 1.00 23.44 C ATOM 934 OD1 ASP A 60 -8.241 4.133 7.040 1.00 3.55 O ATOM 935 OD2 ASP A 60 -9.733 4.036 8.654 1.00 24.14 O ATOM 0 H ASP A 60 -7.998 -0.423 7.985 1.00 1.04 H new ATOM 0 HA ASP A 60 -7.775 1.769 6.084 1.00 13.43 H new ATOM 0 HB2 ASP A 60 -9.693 1.487 7.715 1.00 11.30 H new ATOM 0 HB3 ASP A 60 -8.562 1.711 9.035 1.00 11.30 H new ATOM 940 N PHE A 61 -5.228 1.963 6.762 1.00 52.33 N ATOM 941 CA PHE A 61 -3.885 2.385 7.196 1.00 31.53 C ATOM 942 C PHE A 61 -3.834 3.859 7.615 1.00 44.13 C ATOM 943 O PHE A 61 -2.871 4.284 8.258 1.00 72.53 O ATOM 944 CB PHE A 61 -2.843 2.155 6.098 1.00 53.25 C ATOM 945 CG PHE A 61 -2.746 0.744 5.559 1.00 41.34 C ATOM 946 CD1 PHE A 61 -3.543 0.356 4.467 1.00 13.40 C ATOM 947 CD2 PHE A 61 -1.832 -0.171 6.119 1.00 33.34 C ATOM 948 CE1 PHE A 61 -3.424 -0.935 3.938 1.00 51.33 C ATOM 949 CE2 PHE A 61 -1.736 -1.475 5.606 1.00 53.15 C ATOM 950 CZ PHE A 61 -2.532 -1.853 4.513 1.00 64.55 C ATOM 0 H PHE A 61 -5.277 1.645 5.794 1.00 52.33 H new ATOM 0 HA PHE A 61 -3.652 1.768 8.064 1.00 31.53 H new ATOM 0 HB2 PHE A 61 -3.066 2.825 5.268 1.00 53.25 H new ATOM 0 HB3 PHE A 61 -1.866 2.442 6.486 1.00 53.25 H new ATOM 0 HD1 PHE A 61 -4.246 1.053 4.037 1.00 13.40 H new ATOM 0 HD2 PHE A 61 -1.204 0.131 6.944 1.00 33.34 H new ATOM 0 HE1 PHE A 61 -4.020 -1.225 3.085 1.00 51.33 H new ATOM 0 HE2 PHE A 61 -1.053 -2.184 6.050 1.00 53.15 H new ATOM 0 HZ PHE A 61 -2.458 -2.854 4.113 1.00 64.55 H new ATOM 960 N ILE A 62 -4.848 4.644 7.250 1.00 64.25 N ATOM 961 CA ILE A 62 -4.965 6.052 7.579 1.00 2.22 C ATOM 962 C ILE A 62 -5.269 6.236 9.076 1.00 40.03 C ATOM 963 O ILE A 62 -5.064 7.335 9.605 1.00 60.33 O ATOM 964 CB ILE A 62 -6.063 6.706 6.705 1.00 11.43 C ATOM 965 CG1 ILE A 62 -6.097 6.232 5.233 1.00 42.24 C ATOM 966 CG2 ILE A 62 -5.958 8.233 6.808 1.00 41.05 C ATOM 967 CD1 ILE A 62 -4.817 6.381 4.421 1.00 54.31 C ATOM 0 H ILE A 62 -5.634 4.299 6.699 1.00 64.25 H new ATOM 0 HA ILE A 62 -4.015 6.545 7.370 1.00 2.22 H new ATOM 0 HB ILE A 62 -7.018 6.369 7.109 1.00 11.43 H new ATOM 0 HG12 ILE A 62 -6.381 5.180 5.224 1.00 42.24 H new ATOM 0 HG13 ILE A 62 -6.887 6.780 4.720 1.00 42.24 H new ATOM 0 HG21 ILE A 62 -6.731 8.693 6.193 1.00 41.05 H new ATOM 0 HG22 ILE A 62 -6.091 8.538 7.846 1.00 41.05 H new ATOM 0 HG23 ILE A 62 -4.977 8.555 6.459 1.00 41.05 H new ATOM 0 HD11 ILE A 62 -4.983 6.010 3.409 1.00 54.31 H new ATOM 0 HD12 ILE A 62 -4.532 7.432 4.380 1.00 54.31 H new ATOM 0 HD13 ILE A 62 -4.019 5.807 4.892 1.00 54.31 H new ATOM 979 N ALA A 63 -5.724 5.196 9.781 1.00 75.12 N ATOM 980 CA ALA A 63 -6.254 5.280 11.133 1.00 23.15 C ATOM 981 C ALA A 63 -5.728 4.151 12.016 1.00 20.22 C ATOM 982 O ALA A 63 -5.460 4.376 13.195 1.00 12.21 O ATOM 983 CB ALA A 63 -7.774 5.194 11.037 1.00 21.11 C ATOM 0 H ALA A 63 -5.731 4.246 9.410 1.00 75.12 H new ATOM 0 HA ALA A 63 -5.938 6.219 11.588 1.00 23.15 H new ATOM 0 HB1 ALA A 63 -8.206 5.254 12.036 1.00 21.11 H new ATOM 0 HB2 ALA A 63 -8.147 6.019 10.430 1.00 21.11 H new ATOM 0 HB3 ALA A 63 -8.056 4.248 10.576 1.00 21.11 H new ATOM 989 N SER A 64 -5.565 2.950 11.469 1.00 3.54 N ATOM 990 CA SER A 64 -5.228 1.769 12.236 1.00 74.31 C ATOM 991 C SER A 64 -3.756 1.395 12.043 1.00 51.34 C ATOM 992 O SER A 64 -3.034 2.094 11.317 1.00 14.24 O ATOM 993 CB SER A 64 -6.269 0.703 11.888 1.00 2.14 C ATOM 994 OG SER A 64 -6.179 0.221 10.567 1.00 41.13 O ATOM 0 H SER A 64 -5.666 2.774 10.469 1.00 3.54 H new ATOM 0 HA SER A 64 -5.287 1.922 13.314 1.00 74.31 H new ATOM 0 HB2 SER A 64 -6.160 -0.134 12.577 1.00 2.14 H new ATOM 0 HB3 SER A 64 -7.265 1.118 12.045 1.00 2.14 H new ATOM 0 HG SER A 64 -6.187 0.976 9.942 1.00 41.13 H new ATOM 1000 N ARG A 65 -3.256 0.334 12.699 1.00 35.50 N ATOM 1001 CA ARG A 65 -2.082 -0.362 12.159 1.00 51.32 C ATOM 1002 C ARG A 65 -2.046 -1.881 12.434 1.00 62.21 C ATOM 1003 O ARG A 65 -0.982 -2.402 12.775 1.00 73.33 O ATOM 1004 CB ARG A 65 -0.804 0.375 12.638 1.00 15.20 C ATOM 1005 CG ARG A 65 -0.580 0.553 14.155 1.00 61.24 C ATOM 1006 CD ARG A 65 0.039 -0.671 14.848 1.00 54.33 C ATOM 1007 NE ARG A 65 0.503 -0.364 16.206 1.00 45.25 N ATOM 1008 CZ ARG A 65 1.629 0.279 16.536 1.00 33.14 C ATOM 1009 NH1 ARG A 65 2.497 0.690 15.615 1.00 20.11 N ATOM 1010 NH2 ARG A 65 1.895 0.511 17.811 1.00 64.33 N ATOM 0 H ARG A 65 -3.630 -0.047 13.568 1.00 35.50 H new ATOM 0 HA ARG A 65 -2.142 -0.318 11.072 1.00 51.32 H new ATOM 0 HB2 ARG A 65 0.057 -0.160 12.237 1.00 15.20 H new ATOM 0 HB3 ARG A 65 -0.804 1.366 12.184 1.00 15.20 H new ATOM 0 HG2 ARG A 65 0.068 1.414 14.317 1.00 61.24 H new ATOM 0 HG3 ARG A 65 -1.536 0.780 14.628 1.00 61.24 H new ATOM 0 HD2 ARG A 65 -0.698 -1.473 14.890 1.00 54.33 H new ATOM 0 HD3 ARG A 65 0.876 -1.038 14.254 1.00 54.33 H new ATOM 0 HE ARG A 65 -0.092 -0.672 16.975 1.00 45.25 H new ATOM 0 HH11 ARG A 65 2.312 0.517 14.627 1.00 20.11 H new ATOM 0 HH12 ARG A 65 3.347 1.178 15.897 1.00 20.11 H new ATOM 0 HH21 ARG A 65 1.244 0.200 18.532 1.00 64.33 H new ATOM 0 HH22 ARG A 65 2.751 1.000 18.073 1.00 64.33 H new ATOM 1024 N PRO A 66 -3.095 -2.671 12.137 1.00 1.51 N ATOM 1025 CA PRO A 66 -3.027 -4.117 12.287 1.00 21.35 C ATOM 1026 C PRO A 66 -2.366 -4.759 11.063 1.00 22.11 C ATOM 1027 O PRO A 66 -1.452 -5.578 11.204 1.00 0.10 O ATOM 1028 CB PRO A 66 -4.476 -4.564 12.467 1.00 52.31 C ATOM 1029 CG PRO A 66 -5.286 -3.532 11.680 1.00 23.32 C ATOM 1030 CD PRO A 66 -4.464 -2.259 11.864 1.00 22.35 C ATOM 0 HA PRO A 66 -2.416 -4.422 13.136 1.00 21.35 H new ATOM 0 HB2 PRO A 66 -4.633 -5.572 12.082 1.00 52.31 H new ATOM 0 HB3 PRO A 66 -4.761 -4.577 13.519 1.00 52.31 H new ATOM 0 HG2 PRO A 66 -5.381 -3.806 10.629 1.00 23.32 H new ATOM 0 HG3 PRO A 66 -6.297 -3.423 12.073 1.00 23.32 H new ATOM 0 HD2 PRO A 66 -4.509 -1.639 10.969 1.00 22.35 H new ATOM 0 HD3 PRO A 66 -4.858 -1.661 12.686 1.00 22.35 H new ATOM 1038 N ALA A 67 -2.809 -4.390 9.860 1.00 23.20 N ATOM 1039 CA ALA A 67 -2.313 -4.921 8.604 1.00 74.12 C ATOM 1040 C ALA A 67 -0.850 -4.567 8.386 1.00 72.52 C ATOM 1041 O ALA A 67 -0.174 -5.291 7.673 1.00 43.14 O ATOM 1042 CB ALA A 67 -3.161 -4.388 7.450 1.00 41.03 C ATOM 0 H ALA A 67 -3.544 -3.693 9.737 1.00 23.20 H new ATOM 0 HA ALA A 67 -2.388 -6.008 8.642 1.00 74.12 H new ATOM 0 HB1 ALA A 67 -2.786 -4.788 6.508 1.00 41.03 H new ATOM 0 HB2 ALA A 67 -4.198 -4.695 7.588 1.00 41.03 H new ATOM 0 HB3 ALA A 67 -3.105 -3.300 7.430 1.00 41.03 H new ATOM 1048 N THR A 68 -0.330 -3.507 8.999 1.00 34.12 N ATOM 1049 CA THR A 68 1.041 -3.045 8.848 1.00 60.31 C ATOM 1050 C THR A 68 2.060 -4.162 9.153 1.00 34.54 C ATOM 1051 O THR A 68 3.075 -4.254 8.458 1.00 42.13 O ATOM 1052 CB THR A 68 1.192 -1.767 9.697 1.00 61.43 C ATOM 1053 OG1 THR A 68 0.278 -0.806 9.191 1.00 13.43 O ATOM 1054 CG2 THR A 68 2.593 -1.173 9.633 1.00 24.20 C ATOM 0 H THR A 68 -0.874 -2.927 9.637 1.00 34.12 H new ATOM 0 HA THR A 68 1.264 -2.786 7.813 1.00 60.31 H new ATOM 0 HB THR A 68 0.997 -2.028 10.737 1.00 61.43 H new ATOM 0 HG1 THR A 68 0.349 0.020 9.713 1.00 13.43 H new ATOM 0 HG21 THR A 68 2.636 -0.276 10.251 1.00 24.20 H new ATOM 0 HG22 THR A 68 3.315 -1.902 10.001 1.00 24.20 H new ATOM 0 HG23 THR A 68 2.832 -0.915 8.601 1.00 24.20 H new ATOM 1062 N VAL A 69 1.764 -5.071 10.092 1.00 61.14 N ATOM 1063 CA VAL A 69 2.588 -6.243 10.396 1.00 3.04 C ATOM 1064 C VAL A 69 2.591 -7.193 9.195 1.00 54.22 C ATOM 1065 O VAL A 69 3.641 -7.639 8.721 1.00 42.21 O ATOM 1066 CB VAL A 69 2.029 -6.965 11.644 1.00 13.42 C ATOM 1067 CG1 VAL A 69 2.928 -8.141 12.059 1.00 64.23 C ATOM 1068 CG2 VAL A 69 1.862 -6.027 12.846 1.00 11.53 C ATOM 0 H VAL A 69 0.927 -5.008 10.672 1.00 61.14 H new ATOM 0 HA VAL A 69 3.610 -5.925 10.601 1.00 3.04 H new ATOM 0 HB VAL A 69 1.045 -7.333 11.354 1.00 13.42 H new ATOM 0 HG11 VAL A 69 2.508 -8.627 12.939 1.00 64.23 H new ATOM 0 HG12 VAL A 69 2.988 -8.859 11.241 1.00 64.23 H new ATOM 0 HG13 VAL A 69 3.927 -7.771 12.291 1.00 64.23 H new ATOM 0 HG21 VAL A 69 1.467 -6.588 13.693 1.00 11.53 H new ATOM 0 HG22 VAL A 69 2.829 -5.601 13.113 1.00 11.53 H new ATOM 0 HG23 VAL A 69 1.171 -5.224 12.588 1.00 11.53 H new ATOM 1078 N LYS A 70 1.387 -7.513 8.720 1.00 11.22 N ATOM 1079 CA LYS A 70 1.103 -8.425 7.623 1.00 73.51 C ATOM 1080 C LYS A 70 1.732 -7.911 6.328 1.00 53.01 C ATOM 1081 O LYS A 70 2.275 -8.679 5.533 1.00 11.43 O ATOM 1082 CB LYS A 70 -0.428 -8.550 7.542 1.00 1.41 C ATOM 1083 CG LYS A 70 -0.897 -9.801 6.804 1.00 32.10 C ATOM 1084 CD LYS A 70 -2.372 -10.069 7.144 1.00 4.44 C ATOM 1085 CE LYS A 70 -2.847 -11.406 6.585 1.00 44.34 C ATOM 1086 NZ LYS A 70 -2.365 -12.570 7.356 1.00 20.33 N ATOM 0 H LYS A 70 0.536 -7.116 9.118 1.00 11.22 H new ATOM 0 HA LYS A 70 1.538 -9.411 7.786 1.00 73.51 H new ATOM 0 HB2 LYS A 70 -0.838 -8.558 8.552 1.00 1.41 H new ATOM 0 HB3 LYS A 70 -0.831 -7.670 7.041 1.00 1.41 H new ATOM 0 HG2 LYS A 70 -0.778 -9.669 5.729 1.00 32.10 H new ATOM 0 HG3 LYS A 70 -0.285 -10.657 7.090 1.00 32.10 H new ATOM 0 HD2 LYS A 70 -2.503 -10.060 8.226 1.00 4.44 H new ATOM 0 HD3 LYS A 70 -2.990 -9.266 6.741 1.00 4.44 H new ATOM 0 HE2 LYS A 70 -3.937 -11.417 6.568 1.00 44.34 H new ATOM 0 HE3 LYS A 70 -2.511 -11.499 5.552 1.00 44.34 H new ATOM 0 HZ1 LYS A 70 -2.830 -13.433 7.009 1.00 20.33 H new ATOM 0 HZ2 LYS A 70 -1.335 -12.661 7.240 1.00 20.33 H new ATOM 0 HZ3 LYS A 70 -2.590 -12.437 8.363 1.00 20.33 H new ATOM 1100 N LEU A 71 1.727 -6.589 6.172 1.00 4.22 N ATOM 1101 CA LEU A 71 2.345 -5.835 5.105 1.00 5.32 C ATOM 1102 C LEU A 71 3.857 -6.033 5.151 1.00 74.34 C ATOM 1103 O LEU A 71 4.433 -6.409 4.137 1.00 33.30 O ATOM 1104 CB LEU A 71 1.964 -4.349 5.248 1.00 31.53 C ATOM 1105 CG LEU A 71 1.838 -3.639 3.900 1.00 13.23 C ATOM 1106 CD1 LEU A 71 0.533 -4.012 3.187 1.00 41.25 C ATOM 1107 CD2 LEU A 71 1.835 -2.130 4.115 1.00 11.33 C ATOM 0 H LEU A 71 1.254 -5.981 6.841 1.00 4.22 H new ATOM 0 HA LEU A 71 1.989 -6.187 4.137 1.00 5.32 H new ATOM 0 HB2 LEU A 71 1.019 -4.271 5.785 1.00 31.53 H new ATOM 0 HB3 LEU A 71 2.716 -3.842 5.852 1.00 31.53 H new ATOM 0 HG LEU A 71 2.685 -3.949 3.287 1.00 13.23 H new ATOM 0 HD11 LEU A 71 0.478 -3.489 2.232 1.00 41.25 H new ATOM 0 HD12 LEU A 71 0.508 -5.088 3.013 1.00 41.25 H new ATOM 0 HD13 LEU A 71 -0.316 -3.725 3.808 1.00 41.25 H new ATOM 0 HD21 LEU A 71 1.745 -1.626 3.153 1.00 11.33 H new ATOM 0 HD22 LEU A 71 0.992 -1.855 4.749 1.00 11.33 H new ATOM 0 HD23 LEU A 71 2.765 -1.829 4.597 1.00 11.33 H new ATOM 1119 N THR A 72 4.502 -5.838 6.311 1.00 21.21 N ATOM 1120 CA THR A 72 5.937 -6.059 6.474 1.00 43.53 C ATOM 1121 C THR A 72 6.327 -7.491 6.124 1.00 31.32 C ATOM 1122 O THR A 72 7.452 -7.699 5.672 1.00 62.34 O ATOM 1123 CB THR A 72 6.380 -5.667 7.896 1.00 5.41 C ATOM 1124 OG1 THR A 72 6.432 -4.256 8.002 1.00 3.10 O ATOM 1125 CG2 THR A 72 7.750 -6.207 8.321 1.00 51.14 C ATOM 0 H THR A 72 4.037 -5.522 7.162 1.00 21.21 H new ATOM 0 HA THR A 72 6.466 -5.415 5.771 1.00 43.53 H new ATOM 0 HB THR A 72 5.638 -6.117 8.555 1.00 5.41 H new ATOM 0 HG1 THR A 72 6.712 -4.006 8.907 1.00 3.10 H new ATOM 0 HG21 THR A 72 7.972 -5.877 9.336 1.00 51.14 H new ATOM 0 HG22 THR A 72 7.738 -7.296 8.288 1.00 51.14 H new ATOM 0 HG23 THR A 72 8.516 -5.832 7.642 1.00 51.14 H new ATOM 1133 N ARG A 73 5.444 -8.486 6.270 1.00 44.02 N ATOM 1134 CA ARG A 73 5.798 -9.829 5.834 1.00 34.41 C ATOM 1135 C ARG A 73 6.132 -9.872 4.343 1.00 20.32 C ATOM 1136 O ARG A 73 7.079 -10.569 3.987 1.00 52.32 O ATOM 1137 CB ARG A 73 4.743 -10.860 6.239 1.00 43.44 C ATOM 1138 CG ARG A 73 4.488 -10.808 7.756 1.00 11.41 C ATOM 1139 CD ARG A 73 4.298 -12.191 8.362 1.00 33.51 C ATOM 1140 NE ARG A 73 5.558 -12.957 8.331 1.00 62.44 N ATOM 1141 CZ ARG A 73 5.707 -14.277 8.172 1.00 32.35 C ATOM 1142 NH1 ARG A 73 4.653 -15.079 8.180 1.00 71.34 N ATOM 1143 NH2 ARG A 73 6.921 -14.781 7.986 1.00 23.24 N ATOM 0 H ARG A 73 4.512 -8.388 6.673 1.00 44.02 H new ATOM 0 HA ARG A 73 6.711 -10.111 6.359 1.00 34.41 H new ATOM 0 HB2 ARG A 73 3.814 -10.668 5.702 1.00 43.44 H new ATOM 0 HB3 ARG A 73 5.075 -11.859 5.955 1.00 43.44 H new ATOM 0 HG2 ARG A 73 5.326 -10.312 8.245 1.00 11.41 H new ATOM 0 HG3 ARG A 73 3.602 -10.204 7.952 1.00 11.41 H new ATOM 0 HD2 ARG A 73 3.950 -12.097 9.391 1.00 33.51 H new ATOM 0 HD3 ARG A 73 3.526 -12.730 7.813 1.00 33.51 H new ATOM 0 HE ARG A 73 6.416 -12.417 8.444 1.00 62.44 H new ATOM 0 HH11 ARG A 73 3.718 -14.691 8.308 1.00 71.34 H new ATOM 0 HH12 ARG A 73 4.776 -16.084 8.058 1.00 71.34 H new ATOM 0 HH21 ARG A 73 7.732 -14.163 7.965 1.00 23.24 H new ATOM 0 HH22 ARG A 73 7.043 -15.786 7.864 1.00 23.24 H new ATOM 1157 N SER A 74 5.438 -9.085 3.517 1.00 63.55 N ATOM 1158 CA SER A 74 5.739 -8.892 2.102 1.00 13.33 C ATOM 1159 C SER A 74 6.883 -7.902 1.831 1.00 22.43 C ATOM 1160 O SER A 74 7.159 -7.644 0.664 1.00 15.02 O ATOM 1161 CB SER A 74 4.502 -8.351 1.378 1.00 14.23 C ATOM 1162 OG SER A 74 3.370 -9.187 1.480 1.00 54.02 O ATOM 0 H SER A 74 4.627 -8.550 3.827 1.00 63.55 H new ATOM 0 HA SER A 74 6.045 -9.873 1.738 1.00 13.33 H new ATOM 0 HB2 SER A 74 4.255 -7.370 1.784 1.00 14.23 H new ATOM 0 HB3 SER A 74 4.743 -8.208 0.325 1.00 14.23 H new ATOM 0 HG SER A 74 2.671 -8.867 0.872 1.00 54.02 H new ATOM 1168 N ILE A 75 7.541 -7.296 2.825 1.00 41.23 N ATOM 1169 CA ILE A 75 8.663 -6.378 2.598 1.00 31.20 C ATOM 1170 C ILE A 75 9.925 -7.098 3.113 1.00 15.24 C ATOM 1171 O ILE A 75 10.330 -6.870 4.256 1.00 23.11 O ATOM 1172 CB ILE A 75 8.427 -4.980 3.225 1.00 21.21 C ATOM 1173 CG1 ILE A 75 7.013 -4.412 2.967 1.00 31.24 C ATOM 1174 CG2 ILE A 75 9.444 -3.982 2.638 1.00 71.23 C ATOM 1175 CD1 ILE A 75 6.713 -3.163 3.801 1.00 1.52 C ATOM 0 H ILE A 75 7.311 -7.428 3.810 1.00 41.23 H new ATOM 0 HA ILE A 75 8.780 -6.152 1.538 1.00 31.20 H new ATOM 0 HB ILE A 75 8.543 -5.108 4.301 1.00 21.21 H new ATOM 0 HG12 ILE A 75 6.911 -4.170 1.909 1.00 31.24 H new ATOM 0 HG13 ILE A 75 6.272 -5.179 3.191 1.00 31.24 H new ATOM 0 HG21 ILE A 75 9.282 -2.997 3.076 1.00 71.23 H new ATOM 0 HG22 ILE A 75 10.456 -4.318 2.865 1.00 71.23 H new ATOM 0 HG23 ILE A 75 9.315 -3.924 1.557 1.00 71.23 H new ATOM 0 HD11 ILE A 75 5.707 -2.809 3.577 1.00 1.52 H new ATOM 0 HD12 ILE A 75 6.785 -3.407 4.861 1.00 1.52 H new ATOM 0 HD13 ILE A 75 7.434 -2.382 3.559 1.00 1.52 H new ATOM 1187 N PRO A 76 10.534 -8.002 2.329 1.00 74.24 N ATOM 1188 CA PRO A 76 11.767 -8.697 2.685 1.00 51.32 C ATOM 1189 C PRO A 76 12.956 -7.723 2.699 1.00 24.32 C ATOM 1190 O PRO A 76 12.836 -6.578 2.257 1.00 43.03 O ATOM 1191 CB PRO A 76 11.906 -9.782 1.610 1.00 61.22 C ATOM 1192 CG PRO A 76 11.325 -9.113 0.385 1.00 52.52 C ATOM 1193 CD PRO A 76 10.114 -8.422 1.004 1.00 14.12 C ATOM 0 HA PRO A 76 11.746 -9.128 3.686 1.00 51.32 H new ATOM 0 HB2 PRO A 76 12.946 -10.071 1.459 1.00 61.22 H new ATOM 0 HB3 PRO A 76 11.359 -10.687 1.875 1.00 61.22 H new ATOM 0 HG2 PRO A 76 12.019 -8.407 -0.072 1.00 52.52 H new ATOM 0 HG3 PRO A 76 11.045 -9.830 -0.387 1.00 52.52 H new ATOM 0 HD2 PRO A 76 9.802 -7.568 0.403 1.00 14.12 H new ATOM 0 HD3 PRO A 76 9.263 -9.100 1.060 1.00 14.12 H new ATOM 1201 N ALA A 77 14.117 -8.176 3.181 1.00 40.12 N ATOM 1202 CA ALA A 77 15.339 -7.383 3.300 1.00 12.22 C ATOM 1203 C ALA A 77 15.729 -6.667 1.987 1.00 51.44 C ATOM 1204 O ALA A 77 16.012 -5.467 2.031 1.00 4.43 O ATOM 1205 CB ALA A 77 16.472 -8.248 3.864 1.00 22.13 C ATOM 0 H ALA A 77 14.233 -9.135 3.509 1.00 40.12 H new ATOM 0 HA ALA A 77 15.144 -6.576 4.006 1.00 12.22 H new ATOM 0 HB1 ALA A 77 17.379 -7.649 3.949 1.00 22.13 H new ATOM 0 HB2 ALA A 77 16.189 -8.621 4.848 1.00 22.13 H new ATOM 0 HB3 ALA A 77 16.654 -9.090 3.196 1.00 22.13 H new ATOM 1211 N PRO A 78 15.705 -7.315 0.804 1.00 14.21 N ATOM 1212 CA PRO A 78 15.978 -6.643 -0.468 1.00 53.53 C ATOM 1213 C PRO A 78 14.976 -5.538 -0.857 1.00 33.13 C ATOM 1214 O PRO A 78 15.246 -4.818 -1.815 1.00 71.44 O ATOM 1215 CB PRO A 78 16.039 -7.756 -1.530 1.00 3.43 C ATOM 1216 CG PRO A 78 15.266 -8.906 -0.888 1.00 1.41 C ATOM 1217 CD PRO A 78 15.624 -8.752 0.578 1.00 43.22 C ATOM 0 HA PRO A 78 16.916 -6.095 -0.381 1.00 53.53 H new ATOM 0 HB2 PRO A 78 15.583 -7.441 -2.468 1.00 3.43 H new ATOM 0 HB3 PRO A 78 17.067 -8.040 -1.755 1.00 3.43 H new ATOM 0 HG2 PRO A 78 14.193 -8.819 -1.056 1.00 1.41 H new ATOM 0 HG3 PRO A 78 15.574 -9.874 -1.283 1.00 1.41 H new ATOM 0 HD2 PRO A 78 14.869 -9.209 1.218 1.00 43.22 H new ATOM 0 HD3 PRO A 78 16.572 -9.240 0.805 1.00 43.22 H new ATOM 1225 N TYR A 79 13.854 -5.349 -0.150 1.00 12.41 N ATOM 1226 CA TYR A 79 12.776 -4.426 -0.533 1.00 33.52 C ATOM 1227 C TYR A 79 12.497 -3.342 0.520 1.00 34.53 C ATOM 1228 O TYR A 79 11.504 -2.610 0.449 1.00 14.20 O ATOM 1229 CB TYR A 79 11.536 -5.250 -0.911 1.00 11.01 C ATOM 1230 CG TYR A 79 11.689 -6.104 -2.166 1.00 44.12 C ATOM 1231 CD1 TYR A 79 12.460 -5.630 -3.239 1.00 21.24 C ATOM 1232 CD2 TYR A 79 11.007 -7.324 -2.325 1.00 20.15 C ATOM 1233 CE1 TYR A 79 12.531 -6.308 -4.454 1.00 5.45 C ATOM 1234 CE2 TYR A 79 11.116 -8.050 -3.523 1.00 71.43 C ATOM 1235 CZ TYR A 79 11.874 -7.544 -4.596 1.00 51.22 C ATOM 1236 OH TYR A 79 11.912 -8.221 -5.771 1.00 11.34 O ATOM 0 H TYR A 79 13.666 -5.843 0.722 1.00 12.41 H new ATOM 0 HA TYR A 79 13.094 -3.854 -1.405 1.00 33.52 H new ATOM 0 HB2 TYR A 79 11.282 -5.902 -0.075 1.00 11.01 H new ATOM 0 HB3 TYR A 79 10.696 -4.570 -1.052 1.00 11.01 H new ATOM 0 HD1 TYR A 79 13.015 -4.711 -3.119 1.00 21.24 H new ATOM 0 HD2 TYR A 79 10.395 -7.705 -1.521 1.00 20.15 H new ATOM 0 HE1 TYR A 79 13.086 -5.888 -5.280 1.00 5.45 H new ATOM 0 HE2 TYR A 79 10.615 -9.002 -3.621 1.00 71.43 H new ATOM 0 HH TYR A 79 11.404 -9.055 -5.685 1.00 11.34 H new ATOM 1246 N LYS A 80 13.381 -3.207 1.508 1.00 13.42 N ATOM 1247 CA LYS A 80 13.177 -2.257 2.611 1.00 42.25 C ATOM 1248 C LYS A 80 13.405 -0.798 2.233 1.00 12.40 C ATOM 1249 O LYS A 80 12.858 0.068 2.907 1.00 5.04 O ATOM 1250 CB LYS A 80 14.098 -2.563 3.807 1.00 13.22 C ATOM 1251 CG LYS A 80 13.930 -3.937 4.449 1.00 61.15 C ATOM 1252 CD LYS A 80 12.469 -4.306 4.706 1.00 61.12 C ATOM 1253 CE LYS A 80 12.343 -5.194 5.938 1.00 34.23 C ATOM 1254 NZ LYS A 80 11.587 -4.510 7.003 1.00 0.34 N ATOM 0 H LYS A 80 14.247 -3.742 1.571 1.00 13.42 H new ATOM 0 HA LYS A 80 12.128 -2.390 2.874 1.00 42.25 H new ATOM 0 HB2 LYS A 80 15.132 -2.462 3.478 1.00 13.22 H new ATOM 0 HB3 LYS A 80 13.931 -1.804 4.572 1.00 13.22 H new ATOM 0 HG2 LYS A 80 14.380 -4.691 3.803 1.00 61.15 H new ATOM 0 HG3 LYS A 80 14.475 -3.959 5.393 1.00 61.15 H new ATOM 0 HD2 LYS A 80 11.879 -3.400 4.844 1.00 61.12 H new ATOM 0 HD3 LYS A 80 12.061 -4.822 3.837 1.00 61.12 H new ATOM 0 HE2 LYS A 80 11.842 -6.125 5.671 1.00 34.23 H new ATOM 0 HE3 LYS A 80 13.335 -5.459 6.303 1.00 34.23 H new ATOM 0 HZ1 LYS A 80 11.514 -5.134 7.832 1.00 0.34 H new ATOM 0 HZ2 LYS A 80 12.080 -3.634 7.271 1.00 0.34 H new ATOM 0 HZ3 LYS A 80 10.633 -4.279 6.658 1.00 0.34 H new ATOM 1268 N GLN A 81 14.219 -0.504 1.222 1.00 0.23 N ATOM 1269 CA GLN A 81 14.784 0.826 0.992 1.00 21.52 C ATOM 1270 C GLN A 81 14.360 1.413 -0.353 1.00 52.54 C ATOM 1271 O GLN A 81 14.882 2.461 -0.756 1.00 51.02 O ATOM 1272 CB GLN A 81 16.313 0.745 1.084 1.00 52.34 C ATOM 1273 CG GLN A 81 16.812 0.225 2.433 1.00 45.15 C ATOM 1274 CD GLN A 81 18.311 0.448 2.547 1.00 54.13 C ATOM 1275 OE1 GLN A 81 18.757 1.457 3.085 1.00 23.41 O ATOM 1276 NE2 GLN A 81 19.114 -0.421 1.970 1.00 60.12 N ATOM 0 H GLN A 81 14.510 -1.193 0.528 1.00 0.23 H new ATOM 0 HA GLN A 81 14.398 1.495 1.761 1.00 21.52 H new ATOM 0 HB2 GLN A 81 16.684 0.094 0.292 1.00 52.34 H new ATOM 0 HB3 GLN A 81 16.734 1.735 0.906 1.00 52.34 H new ATOM 0 HG2 GLN A 81 16.296 0.738 3.245 1.00 45.15 H new ATOM 0 HG3 GLN A 81 16.584 -0.836 2.531 1.00 45.15 H new ATOM 0 HE21 GLN A 81 18.729 -1.255 1.527 1.00 60.12 H new ATOM 0 HE22 GLN A 81 20.121 -0.260 1.966 1.00 60.12 H new ATOM 1285 N LEU A 82 13.436 0.737 -1.047 1.00 12.23 N ATOM 1286 CA LEU A 82 13.106 0.976 -2.447 1.00 41.44 C ATOM 1287 C LEU A 82 12.687 2.409 -2.728 1.00 31.14 C ATOM 1288 O LEU A 82 12.917 2.893 -3.830 1.00 14.51 O ATOM 1289 CB LEU A 82 11.995 0.035 -2.927 1.00 14.24 C ATOM 1290 CG LEU A 82 12.303 -1.459 -2.811 1.00 63.43 C ATOM 1291 CD1 LEU A 82 11.059 -2.222 -3.275 1.00 51.11 C ATOM 1292 CD2 LEU A 82 13.528 -1.882 -3.629 1.00 5.33 C ATOM 0 H LEU A 82 12.884 -0.013 -0.632 1.00 12.23 H new ATOM 0 HA LEU A 82 14.027 0.779 -2.996 1.00 41.44 H new ATOM 0 HB2 LEU A 82 11.091 0.247 -2.356 1.00 14.24 H new ATOM 0 HB3 LEU A 82 11.775 0.263 -3.970 1.00 14.24 H new ATOM 0 HG LEU A 82 12.547 -1.689 -1.774 1.00 63.43 H new ATOM 0 HD11 LEU A 82 11.243 -3.294 -3.206 1.00 51.11 H new ATOM 0 HD12 LEU A 82 10.212 -1.957 -2.641 1.00 51.11 H new ATOM 0 HD13 LEU A 82 10.835 -1.958 -4.309 1.00 51.11 H new ATOM 0 HD21 LEU A 82 13.696 -2.952 -3.506 1.00 5.33 H new ATOM 0 HD22 LEU A 82 13.357 -1.660 -4.682 1.00 5.33 H new ATOM 0 HD23 LEU A 82 14.404 -1.335 -3.281 1.00 5.33 H new ATOM 1304 N LEU A 83 12.115 3.108 -1.744 1.00 14.33 N ATOM 1305 CA LEU A 83 11.814 4.513 -1.860 1.00 14.24 C ATOM 1306 C LEU A 83 13.007 5.312 -2.374 1.00 62.31 C ATOM 1307 O LEU A 83 12.784 6.172 -3.219 1.00 40.04 O ATOM 1308 CB LEU A 83 11.337 5.043 -0.503 1.00 51.45 C ATOM 1309 CG LEU A 83 9.839 4.813 -0.210 1.00 2.30 C ATOM 1310 CD1 LEU A 83 8.840 5.367 -1.239 1.00 24.22 C ATOM 1311 CD2 LEU A 83 9.501 3.399 0.101 1.00 20.43 C ATOM 0 H LEU A 83 11.852 2.702 -0.846 1.00 14.33 H new ATOM 0 HA LEU A 83 11.019 4.636 -2.595 1.00 14.24 H new ATOM 0 HB2 LEU A 83 11.924 4.569 0.283 1.00 51.45 H new ATOM 0 HB3 LEU A 83 11.543 6.112 -0.453 1.00 51.45 H new ATOM 0 HG LEU A 83 9.710 5.421 0.685 1.00 2.30 H new ATOM 0 HD11 LEU A 83 7.823 5.140 -0.918 1.00 24.22 H new ATOM 0 HD12 LEU A 83 8.962 6.447 -1.320 1.00 24.22 H new ATOM 0 HD13 LEU A 83 9.025 4.907 -2.210 1.00 24.22 H new ATOM 0 HD21 LEU A 83 8.432 3.315 0.296 1.00 20.43 H new ATOM 0 HD22 LEU A 83 9.766 2.767 -0.746 1.00 20.43 H new ATOM 0 HD23 LEU A 83 10.057 3.077 0.982 1.00 20.43 H new ATOM 1323 N LYS A 84 14.240 5.043 -1.925 1.00 3.32 N ATOM 1324 CA LYS A 84 15.409 5.816 -2.350 1.00 73.35 C ATOM 1325 C LYS A 84 16.099 5.130 -3.511 1.00 41.31 C ATOM 1326 O LYS A 84 16.451 5.802 -4.479 1.00 33.20 O ATOM 1327 CB LYS A 84 16.383 6.085 -1.187 1.00 14.32 C ATOM 1328 CG LYS A 84 17.492 7.070 -1.614 1.00 53.34 C ATOM 1329 CD LYS A 84 17.814 8.159 -0.577 1.00 33.14 C ATOM 1330 CE LYS A 84 18.670 7.633 0.584 1.00 12.50 C ATOM 1331 NZ LYS A 84 19.042 8.706 1.535 1.00 33.42 N ATOM 0 H LYS A 84 14.452 4.294 -1.266 1.00 3.32 H new ATOM 0 HA LYS A 84 15.059 6.792 -2.687 1.00 73.35 H new ATOM 0 HB2 LYS A 84 15.837 6.493 -0.337 1.00 14.32 H new ATOM 0 HB3 LYS A 84 16.831 5.147 -0.858 1.00 14.32 H new ATOM 0 HG2 LYS A 84 18.401 6.505 -1.823 1.00 53.34 H new ATOM 0 HG3 LYS A 84 17.194 7.551 -2.546 1.00 53.34 H new ATOM 0 HD2 LYS A 84 18.338 8.979 -1.068 1.00 33.14 H new ATOM 0 HD3 LYS A 84 16.883 8.566 -0.182 1.00 33.14 H new ATOM 0 HE2 LYS A 84 18.122 6.854 1.114 1.00 12.50 H new ATOM 0 HE3 LYS A 84 19.574 7.172 0.187 1.00 12.50 H new ATOM 0 HZ1 LYS A 84 19.619 8.305 2.302 1.00 33.42 H new ATOM 0 HZ2 LYS A 84 19.588 9.438 1.037 1.00 33.42 H new ATOM 0 HZ3 LYS A 84 18.180 9.129 1.935 1.00 33.42 H new ATOM 1345 N GLU A 85 16.298 3.819 -3.397 1.00 73.25 N ATOM 1346 CA GLU A 85 16.953 3.004 -4.412 1.00 42.31 C ATOM 1347 C GLU A 85 16.291 3.244 -5.771 1.00 21.40 C ATOM 1348 O GLU A 85 16.951 3.655 -6.722 1.00 60.41 O ATOM 1349 CB GLU A 85 16.935 1.520 -3.998 1.00 2.04 C ATOM 1350 CG GLU A 85 17.871 1.247 -2.812 1.00 13.31 C ATOM 1351 CD GLU A 85 18.062 -0.247 -2.531 1.00 3.43 C ATOM 1352 OE1 GLU A 85 17.103 -0.937 -2.111 1.00 11.04 O ATOM 1353 OE2 GLU A 85 19.214 -0.741 -2.631 1.00 53.51 O ATOM 0 H GLU A 85 16.002 3.285 -2.580 1.00 73.25 H new ATOM 0 HA GLU A 85 18.000 3.293 -4.503 1.00 42.31 H new ATOM 0 HB2 GLU A 85 15.919 1.229 -3.733 1.00 2.04 H new ATOM 0 HB3 GLU A 85 17.233 0.903 -4.846 1.00 2.04 H new ATOM 0 HG2 GLU A 85 18.842 1.701 -3.011 1.00 13.31 H new ATOM 0 HG3 GLU A 85 17.470 1.730 -1.921 1.00 13.31 H new ATOM 1360 N GLU A 86 14.977 3.050 -5.854 1.00 40.35 N ATOM 1361 CA GLU A 86 14.278 3.029 -7.130 1.00 13.20 C ATOM 1362 C GLU A 86 13.838 4.441 -7.527 1.00 71.41 C ATOM 1363 O GLU A 86 14.046 4.842 -8.678 1.00 33.34 O ATOM 1364 CB GLU A 86 13.081 2.062 -7.059 1.00 22.30 C ATOM 1365 CG GLU A 86 13.409 0.703 -6.406 1.00 35.13 C ATOM 1366 CD GLU A 86 14.582 -0.051 -7.030 1.00 52.25 C ATOM 1367 OE1 GLU A 86 14.883 0.138 -8.230 1.00 5.14 O ATOM 1368 OE2 GLU A 86 15.180 -0.890 -6.316 1.00 24.24 O ATOM 0 H GLU A 86 14.374 2.904 -5.044 1.00 40.35 H new ATOM 0 HA GLU A 86 14.958 2.670 -7.903 1.00 13.20 H new ATOM 0 HB2 GLU A 86 12.276 2.538 -6.499 1.00 22.30 H new ATOM 0 HB3 GLU A 86 12.708 1.888 -8.068 1.00 22.30 H new ATOM 0 HG2 GLU A 86 13.624 0.868 -5.350 1.00 35.13 H new ATOM 0 HG3 GLU A 86 12.523 0.070 -6.456 1.00 35.13 H new ATOM 1375 N LEU A 87 13.232 5.187 -6.586 1.00 41.01 N ATOM 1376 CA LEU A 87 12.576 6.466 -6.880 1.00 40.25 C ATOM 1377 C LEU A 87 13.421 7.674 -6.479 1.00 75.44 C ATOM 1378 O LEU A 87 13.480 8.636 -7.239 1.00 1.23 O ATOM 1379 CB LEU A 87 11.191 6.642 -6.220 1.00 62.34 C ATOM 1380 CG LEU A 87 10.429 5.458 -5.627 1.00 11.12 C ATOM 1381 CD1 LEU A 87 9.275 6.011 -4.779 1.00 40.41 C ATOM 1382 CD2 LEU A 87 9.845 4.583 -6.728 1.00 33.35 C ATOM 0 H LEU A 87 13.185 4.918 -5.603 1.00 41.01 H new ATOM 0 HA LEU A 87 12.450 6.426 -7.962 1.00 40.25 H new ATOM 0 HB2 LEU A 87 11.313 7.372 -5.420 1.00 62.34 H new ATOM 0 HB3 LEU A 87 10.540 7.094 -6.968 1.00 62.34 H new ATOM 0 HG LEU A 87 11.112 4.856 -5.027 1.00 11.12 H new ATOM 0 HD11 LEU A 87 8.714 5.184 -4.344 1.00 40.41 H new ATOM 0 HD12 LEU A 87 9.677 6.636 -3.982 1.00 40.41 H new ATOM 0 HD13 LEU A 87 8.613 6.606 -5.409 1.00 40.41 H new ATOM 0 HD21 LEU A 87 9.307 3.747 -6.281 1.00 33.35 H new ATOM 0 HD22 LEU A 87 9.159 5.173 -7.336 1.00 33.35 H new ATOM 0 HD23 LEU A 87 10.651 4.202 -7.356 1.00 33.35 H new ATOM 1394 N GLY A 88 13.979 7.674 -5.263 1.00 42.03 N ATOM 1395 CA GLY A 88 14.695 8.800 -4.661 1.00 0.53 C ATOM 1396 C GLY A 88 13.983 9.462 -3.467 1.00 42.01 C ATOM 1397 O GLY A 88 14.426 10.525 -3.026 1.00 0.01 O ATOM 0 H GLY A 88 13.942 6.859 -4.650 1.00 42.03 H new ATOM 0 HA2 GLY A 88 15.675 8.454 -4.333 1.00 0.53 H new ATOM 0 HA3 GLY A 88 14.864 9.556 -5.428 1.00 0.53 H new ATOM 1401 N PHE A 89 12.872 8.919 -2.958 1.00 44.01 N ATOM 1402 CA PHE A 89 12.264 9.334 -1.689 1.00 5.33 C ATOM 1403 C PHE A 89 13.097 8.818 -0.511 1.00 62.32 C ATOM 1404 O PHE A 89 13.948 7.958 -0.688 1.00 54.33 O ATOM 1405 CB PHE A 89 10.813 8.818 -1.607 1.00 54.05 C ATOM 1406 CG PHE A 89 10.046 9.222 -0.352 1.00 43.25 C ATOM 1407 CD1 PHE A 89 9.611 10.544 -0.140 1.00 23.42 C ATOM 1408 CD2 PHE A 89 9.765 8.256 0.626 1.00 41.44 C ATOM 1409 CE1 PHE A 89 8.884 10.865 1.026 1.00 62.45 C ATOM 1410 CE2 PHE A 89 9.003 8.546 1.759 1.00 24.24 C ATOM 1411 CZ PHE A 89 8.565 9.866 1.968 1.00 23.50 C ATOM 0 H PHE A 89 12.362 8.168 -3.423 1.00 44.01 H new ATOM 0 HA PHE A 89 12.244 10.423 -1.640 1.00 5.33 H new ATOM 0 HB2 PHE A 89 10.267 9.179 -2.478 1.00 54.05 H new ATOM 0 HB3 PHE A 89 10.828 7.730 -1.669 1.00 54.05 H new ATOM 0 HD1 PHE A 89 9.833 11.310 -0.868 1.00 23.42 H new ATOM 0 HD2 PHE A 89 10.151 7.255 0.498 1.00 41.44 H new ATOM 0 HE1 PHE A 89 8.570 11.884 1.198 1.00 62.45 H new ATOM 0 HE2 PHE A 89 8.753 7.768 2.465 1.00 24.24 H new ATOM 0 HZ PHE A 89 7.987 10.113 2.846 1.00 23.50 H new ATOM 1567 N ARG A 100 -0.857 11.915 8.653 1.00 43.43 N ATOM 1568 CA ARG A 100 -1.418 11.671 7.320 1.00 71.43 C ATOM 1569 C ARG A 100 -0.345 11.476 6.237 1.00 22.53 C ATOM 1570 O ARG A 100 -0.665 11.288 5.072 1.00 4.03 O ATOM 1571 CB ARG A 100 -2.378 12.818 6.954 1.00 4.32 C ATOM 1572 CG ARG A 100 -3.624 12.808 7.857 1.00 44.41 C ATOM 1573 CD ARG A 100 -4.537 14.021 7.609 1.00 65.52 C ATOM 1574 NE ARG A 100 -5.261 14.405 8.834 1.00 71.42 N ATOM 1575 CZ ARG A 100 -4.698 14.931 9.928 1.00 24.14 C ATOM 1576 NH1 ARG A 100 -3.431 15.334 9.889 1.00 41.01 N ATOM 1577 NH2 ARG A 100 -5.376 15.032 11.063 1.00 13.15 N ATOM 0 HA ARG A 100 -1.967 10.730 7.360 1.00 71.43 H new ATOM 0 HB2 ARG A 100 -1.862 13.773 7.052 1.00 4.32 H new ATOM 0 HB3 ARG A 100 -2.680 12.724 5.911 1.00 4.32 H new ATOM 0 HG2 ARG A 100 -4.187 11.891 7.684 1.00 44.41 H new ATOM 0 HG3 ARG A 100 -3.312 12.799 8.901 1.00 44.41 H new ATOM 0 HD2 ARG A 100 -3.940 14.863 7.258 1.00 65.52 H new ATOM 0 HD3 ARG A 100 -5.252 13.786 6.820 1.00 65.52 H new ATOM 0 HE ARG A 100 -6.270 14.258 8.849 1.00 71.42 H new ATOM 0 HH11 ARG A 100 -2.893 15.242 9.028 1.00 41.01 H new ATOM 0 HH12 ARG A 100 -2.998 15.736 10.721 1.00 41.01 H new ATOM 0 HH21 ARG A 100 -6.341 14.706 11.111 1.00 13.15 H new ATOM 0 HH22 ARG A 100 -4.932 15.435 11.888 1.00 13.15 H new ATOM 1591 N LYS A 101 0.945 11.567 6.563 1.00 23.21 N ATOM 1592 CA LYS A 101 2.051 11.424 5.614 1.00 44.33 C ATOM 1593 C LYS A 101 2.936 10.272 6.058 1.00 24.11 C ATOM 1594 O LYS A 101 3.258 9.415 5.241 1.00 74.33 O ATOM 1595 CB LYS A 101 2.808 12.755 5.449 1.00 52.23 C ATOM 1596 CG LYS A 101 2.230 13.632 4.321 1.00 64.45 C ATOM 1597 CD LYS A 101 3.039 14.934 4.243 1.00 20.53 C ATOM 1598 CE LYS A 101 2.790 15.841 3.030 1.00 32.31 C ATOM 1599 NZ LYS A 101 1.399 16.332 2.930 1.00 75.21 N ATOM 0 H LYS A 101 1.258 11.747 7.517 1.00 23.21 H new ATOM 0 HA LYS A 101 1.671 11.182 4.621 1.00 44.33 H new ATOM 0 HB2 LYS A 101 2.772 13.308 6.388 1.00 52.23 H new ATOM 0 HB3 LYS A 101 3.858 12.548 5.241 1.00 52.23 H new ATOM 0 HG2 LYS A 101 2.276 13.102 3.370 1.00 64.45 H new ATOM 0 HG3 LYS A 101 1.180 13.851 4.514 1.00 64.45 H new ATOM 0 HD2 LYS A 101 2.837 15.512 5.145 1.00 20.53 H new ATOM 0 HD3 LYS A 101 4.098 14.676 4.260 1.00 20.53 H new ATOM 0 HE2 LYS A 101 3.465 16.696 3.082 1.00 32.31 H new ATOM 0 HE3 LYS A 101 3.039 15.293 2.121 1.00 32.31 H new ATOM 0 HZ1 LYS A 101 1.131 16.415 1.928 1.00 75.21 H new ATOM 0 HZ2 LYS A 101 0.760 15.663 3.405 1.00 75.21 H new ATOM 0 HZ3 LYS A 101 1.326 17.264 3.386 1.00 75.21 H new ATOM 1613 N THR A 102 3.240 10.174 7.353 1.00 25.53 N ATOM 1614 CA THR A 102 3.941 9.011 7.896 1.00 62.21 C ATOM 1615 C THR A 102 3.189 7.707 7.585 1.00 4.42 C ATOM 1616 O THR A 102 3.782 6.735 7.116 1.00 62.24 O ATOM 1617 CB THR A 102 4.167 9.181 9.408 1.00 42.52 C ATOM 1618 OG1 THR A 102 2.991 9.644 10.056 1.00 62.33 O ATOM 1619 CG2 THR A 102 5.275 10.194 9.694 1.00 11.24 C ATOM 0 H THR A 102 3.011 10.887 8.045 1.00 25.53 H new ATOM 0 HA THR A 102 4.915 8.943 7.411 1.00 62.21 H new ATOM 0 HB THR A 102 4.447 8.198 9.788 1.00 42.52 H new ATOM 0 HG1 THR A 102 3.163 9.741 11.016 1.00 62.33 H new ATOM 0 HG21 THR A 102 5.410 10.291 10.771 1.00 11.24 H new ATOM 0 HG22 THR A 102 6.206 9.853 9.241 1.00 11.24 H new ATOM 0 HG23 THR A 102 5.001 11.162 9.274 1.00 11.24 H new ATOM 1627 N ARG A 103 1.863 7.688 7.782 1.00 5.03 N ATOM 1628 CA ARG A 103 1.040 6.527 7.444 1.00 71.42 C ATOM 1629 C ARG A 103 1.006 6.250 5.944 1.00 45.14 C ATOM 1630 O ARG A 103 0.780 5.101 5.563 1.00 4.33 O ATOM 1631 CB ARG A 103 -0.393 6.737 7.952 1.00 63.54 C ATOM 1632 CG ARG A 103 -0.531 6.471 9.452 1.00 42.51 C ATOM 1633 CD ARG A 103 -1.894 6.968 9.938 1.00 31.11 C ATOM 1634 NE ARG A 103 -2.253 6.396 11.245 1.00 0.42 N ATOM 1635 CZ ARG A 103 -3.074 6.913 12.161 1.00 52.21 C ATOM 1636 NH1 ARG A 103 -3.659 8.093 11.974 1.00 23.12 N ATOM 1637 NH2 ARG A 103 -3.269 6.255 13.288 1.00 71.23 N ATOM 0 H ARG A 103 1.339 8.470 8.176 1.00 5.03 H new ATOM 0 HA ARG A 103 1.494 5.663 7.930 1.00 71.42 H new ATOM 0 HB2 ARG A 103 -0.704 7.760 7.738 1.00 63.54 H new ATOM 0 HB3 ARG A 103 -1.068 6.078 7.406 1.00 63.54 H new ATOM 0 HG2 ARG A 103 -0.428 5.405 9.653 1.00 42.51 H new ATOM 0 HG3 ARG A 103 0.267 6.976 9.996 1.00 42.51 H new ATOM 0 HD2 ARG A 103 -1.879 8.056 10.010 1.00 31.11 H new ATOM 0 HD3 ARG A 103 -2.658 6.707 9.205 1.00 31.11 H new ATOM 0 HE ARG A 103 -1.825 5.500 11.478 1.00 0.42 H new ATOM 0 HH11 ARG A 103 -3.483 8.620 11.118 1.00 23.12 H new ATOM 0 HH12 ARG A 103 -4.284 8.471 12.686 1.00 23.12 H new ATOM 0 HH21 ARG A 103 -2.795 5.366 13.448 1.00 71.23 H new ATOM 0 HH22 ARG A 103 -3.893 6.636 13.999 1.00 71.23 H new ATOM 1651 N ARG A 104 1.171 7.262 5.081 1.00 41.14 N ATOM 1652 CA ARG A 104 1.221 7.041 3.635 1.00 4.33 C ATOM 1653 C ARG A 104 2.482 6.229 3.345 1.00 43.34 C ATOM 1654 O ARG A 104 2.369 5.126 2.823 1.00 1.20 O ATOM 1655 CB ARG A 104 1.155 8.362 2.833 1.00 20.24 C ATOM 1656 CG ARG A 104 -0.077 8.554 1.931 1.00 51.21 C ATOM 1657 CD ARG A 104 -1.378 8.911 2.670 1.00 52.24 C ATOM 1658 NE ARG A 104 -2.247 9.792 1.860 1.00 1.42 N ATOM 1659 CZ ARG A 104 -2.153 11.128 1.755 1.00 4.01 C ATOM 1660 NH1 ARG A 104 -1.324 11.839 2.508 1.00 31.40 N ATOM 1661 NH2 ARG A 104 -2.927 11.786 0.907 1.00 21.54 N ATOM 0 H ARG A 104 1.272 8.238 5.361 1.00 41.14 H new ATOM 0 HA ARG A 104 0.342 6.485 3.307 1.00 4.33 H new ATOM 0 HB2 ARG A 104 1.195 9.192 3.538 1.00 20.24 H new ATOM 0 HB3 ARG A 104 2.048 8.429 2.211 1.00 20.24 H new ATOM 0 HG2 ARG A 104 0.140 9.341 1.209 1.00 51.21 H new ATOM 0 HG3 ARG A 104 -0.239 7.637 1.364 1.00 51.21 H new ATOM 0 HD2 ARG A 104 -1.918 7.997 2.918 1.00 52.24 H new ATOM 0 HD3 ARG A 104 -1.137 9.404 3.612 1.00 52.24 H new ATOM 0 HE ARG A 104 -2.991 9.341 1.328 1.00 1.42 H new ATOM 0 HH11 ARG A 104 -0.731 11.372 3.194 1.00 31.40 H new ATOM 0 HH12 ARG A 104 -1.279 12.852 2.401 1.00 31.40 H new ATOM 0 HH21 ARG A 104 -3.598 11.279 0.330 1.00 21.54 H new ATOM 0 HH22 ARG A 104 -2.853 12.800 0.830 1.00 21.54 H new ATOM 1675 N ALA A 105 3.662 6.705 3.759 1.00 55.22 N ATOM 1676 CA ALA A 105 4.953 6.117 3.394 1.00 33.14 C ATOM 1677 C ALA A 105 5.020 4.604 3.640 1.00 32.32 C ATOM 1678 O ALA A 105 5.540 3.869 2.796 1.00 12.00 O ATOM 1679 CB ALA A 105 6.077 6.838 4.146 1.00 31.55 C ATOM 0 H ALA A 105 3.747 7.521 4.365 1.00 55.22 H new ATOM 0 HA ALA A 105 5.077 6.253 2.320 1.00 33.14 H new ATOM 0 HB1 ALA A 105 7.037 6.399 3.873 1.00 31.55 H new ATOM 0 HB2 ALA A 105 6.073 7.895 3.880 1.00 31.55 H new ATOM 0 HB3 ALA A 105 5.922 6.733 5.220 1.00 31.55 H new ATOM 1685 N THR A 106 4.468 4.138 4.764 1.00 15.00 N ATOM 1686 CA THR A 106 4.342 2.725 5.106 1.00 23.25 C ATOM 1687 C THR A 106 3.721 1.915 3.963 1.00 51.01 C ATOM 1688 O THR A 106 4.244 0.860 3.588 1.00 24.20 O ATOM 1689 CB THR A 106 3.460 2.625 6.362 1.00 11.44 C ATOM 1690 OG1 THR A 106 3.963 3.461 7.383 1.00 63.41 O ATOM 1691 CG2 THR A 106 3.331 1.209 6.920 1.00 51.14 C ATOM 0 H THR A 106 4.086 4.755 5.480 1.00 15.00 H new ATOM 0 HA THR A 106 5.333 2.309 5.288 1.00 23.25 H new ATOM 0 HB THR A 106 2.467 2.942 6.043 1.00 11.44 H new ATOM 0 HG1 THR A 106 3.392 3.389 8.176 1.00 63.41 H new ATOM 0 HG21 THR A 106 2.694 1.223 7.804 1.00 51.14 H new ATOM 0 HG22 THR A 106 2.889 0.559 6.165 1.00 51.14 H new ATOM 0 HG23 THR A 106 4.318 0.833 7.190 1.00 51.14 H new ATOM 1699 N MET A 107 2.578 2.385 3.459 1.00 35.24 N ATOM 1700 CA MET A 107 1.767 1.691 2.480 1.00 51.12 C ATOM 1701 C MET A 107 2.395 1.854 1.086 1.00 3.32 C ATOM 1702 O MET A 107 2.372 0.924 0.282 1.00 1.31 O ATOM 1703 CB MET A 107 0.315 2.196 2.643 1.00 53.43 C ATOM 1704 CG MET A 107 -0.104 3.378 1.751 1.00 64.32 C ATOM 1705 SD MET A 107 -1.421 4.452 2.398 1.00 11.44 S ATOM 1706 CE MET A 107 -2.826 3.320 2.529 1.00 35.54 C ATOM 0 H MET A 107 2.187 3.286 3.735 1.00 35.24 H new ATOM 0 HA MET A 107 1.733 0.612 2.628 1.00 51.12 H new ATOM 0 HB2 MET A 107 -0.360 1.363 2.446 1.00 53.43 H new ATOM 0 HB3 MET A 107 0.169 2.485 3.684 1.00 53.43 H new ATOM 0 HG2 MET A 107 0.776 3.993 1.562 1.00 64.32 H new ATOM 0 HG3 MET A 107 -0.428 2.982 0.789 1.00 64.32 H new ATOM 0 HE1 MET A 107 -3.671 3.840 2.979 1.00 35.54 H new ATOM 0 HE2 MET A 107 -3.104 2.968 1.535 1.00 35.54 H new ATOM 0 HE3 MET A 107 -2.550 2.469 3.151 1.00 35.54 H new ATOM 1716 N THR A 108 3.044 2.996 0.827 1.00 54.45 N ATOM 1717 CA THR A 108 3.757 3.277 -0.410 1.00 43.11 C ATOM 1718 C THR A 108 4.909 2.289 -0.620 1.00 22.30 C ATOM 1719 O THR A 108 5.048 1.721 -1.702 1.00 11.41 O ATOM 1720 CB THR A 108 4.285 4.718 -0.360 1.00 63.42 C ATOM 1721 OG1 THR A 108 3.316 5.616 0.131 1.00 21.10 O ATOM 1722 CG2 THR A 108 4.709 5.199 -1.736 1.00 0.54 C ATOM 0 H THR A 108 3.084 3.766 1.495 1.00 54.45 H new ATOM 0 HA THR A 108 3.073 3.164 -1.251 1.00 43.11 H new ATOM 0 HB THR A 108 5.142 4.700 0.313 1.00 63.42 H new ATOM 0 HG1 THR A 108 3.689 6.522 0.150 1.00 21.10 H new ATOM 0 HG21 THR A 108 5.078 6.222 -1.666 1.00 0.54 H new ATOM 0 HG22 THR A 108 5.499 4.554 -2.119 1.00 0.54 H new ATOM 0 HG23 THR A 108 3.855 5.167 -2.412 1.00 0.54 H new ATOM 1730 N ASN A 109 5.746 2.054 0.400 1.00 12.50 N ATOM 1731 CA ASN A 109 6.936 1.206 0.263 1.00 14.40 C ATOM 1732 C ASN A 109 6.532 -0.195 -0.213 1.00 53.42 C ATOM 1733 O ASN A 109 7.198 -0.798 -1.050 1.00 22.43 O ATOM 1734 CB ASN A 109 7.640 1.087 1.624 1.00 13.20 C ATOM 1735 CG ASN A 109 9.040 0.460 1.602 1.00 51.41 C ATOM 1736 OD1 ASN A 109 9.886 0.929 2.354 1.00 25.12 O ATOM 1737 ND2 ASN A 109 9.308 -0.621 0.883 1.00 23.22 N ATOM 0 H ASN A 109 5.618 2.443 1.334 1.00 12.50 H new ATOM 0 HA ASN A 109 7.609 1.657 -0.467 1.00 14.40 H new ATOM 0 HB2 ASN A 109 7.716 2.083 2.060 1.00 13.20 H new ATOM 0 HB3 ASN A 109 7.009 0.496 2.287 1.00 13.20 H new ATOM 0 HD21 ASN A 109 10.223 -1.067 0.954 1.00 23.22 H new ATOM 0 HD22 ASN A 109 8.600 -1.007 0.259 1.00 23.22 H new ATOM 1744 N TRP A 110 5.428 -0.722 0.318 1.00 34.42 N ATOM 1745 CA TRP A 110 4.903 -2.036 -0.038 1.00 0.24 C ATOM 1746 C TRP A 110 4.322 -2.065 -1.456 1.00 53.33 C ATOM 1747 O TRP A 110 4.371 -3.117 -2.098 1.00 51.41 O ATOM 1748 CB TRP A 110 3.825 -2.432 0.982 1.00 15.14 C ATOM 1749 CG TRP A 110 3.059 -3.679 0.657 1.00 65.33 C ATOM 1750 CD1 TRP A 110 3.364 -4.939 1.044 1.00 11.50 C ATOM 1751 CD2 TRP A 110 1.881 -3.799 -0.190 1.00 43.02 C ATOM 1752 NE1 TRP A 110 2.458 -5.825 0.488 1.00 24.52 N ATOM 1753 CE2 TRP A 110 1.544 -5.177 -0.312 1.00 25.40 C ATOM 1754 CE3 TRP A 110 1.080 -2.869 -0.883 1.00 3.22 C ATOM 1755 CZ2 TRP A 110 0.488 -5.615 -1.120 1.00 4.32 C ATOM 1756 CZ3 TRP A 110 0.022 -3.295 -1.702 1.00 31.31 C ATOM 1757 CH2 TRP A 110 -0.254 -4.666 -1.836 1.00 54.01 C ATOM 0 H TRP A 110 4.866 -0.238 1.019 1.00 34.42 H new ATOM 0 HA TRP A 110 5.727 -2.749 -0.018 1.00 0.24 H new ATOM 0 HB2 TRP A 110 4.299 -2.561 1.955 1.00 15.14 H new ATOM 0 HB3 TRP A 110 3.119 -1.607 1.078 1.00 15.14 H new ATOM 0 HD1 TRP A 110 4.187 -5.211 1.688 1.00 11.50 H new ATOM 0 HE1 TRP A 110 2.466 -6.832 0.651 1.00 24.52 H new ATOM 0 HE3 TRP A 110 1.283 -1.813 -0.783 1.00 3.22 H new ATOM 0 HZ2 TRP A 110 0.249 -6.666 -1.190 1.00 4.32 H new ATOM 0 HZ3 TRP A 110 -0.579 -2.569 -2.229 1.00 31.31 H new ATOM 0 HH2 TRP A 110 -1.044 -4.991 -2.496 1.00 54.01 H new ATOM 1768 N LEU A 111 3.804 -0.940 -1.968 1.00 54.33 N ATOM 1769 CA LEU A 111 3.112 -0.930 -3.266 1.00 33.34 C ATOM 1770 C LEU A 111 4.155 -1.161 -4.356 1.00 13.24 C ATOM 1771 O LEU A 111 3.933 -1.850 -5.348 1.00 4.20 O ATOM 1772 CB LEU A 111 2.393 0.421 -3.484 1.00 15.14 C ATOM 1773 CG LEU A 111 0.892 0.414 -3.158 1.00 2.21 C ATOM 1774 CD1 LEU A 111 0.402 1.832 -2.842 1.00 1.04 C ATOM 1775 CD2 LEU A 111 0.067 -0.113 -4.335 1.00 0.33 C ATOM 0 H LEU A 111 3.850 -0.031 -1.508 1.00 54.33 H new ATOM 0 HA LEU A 111 2.357 -1.715 -3.296 1.00 33.34 H new ATOM 0 HB2 LEU A 111 2.880 1.179 -2.870 1.00 15.14 H new ATOM 0 HB3 LEU A 111 2.523 0.722 -4.524 1.00 15.14 H new ATOM 0 HG LEU A 111 0.760 -0.238 -2.295 1.00 2.21 H new ATOM 0 HD11 LEU A 111 -0.664 1.806 -2.614 1.00 1.04 H new ATOM 0 HD12 LEU A 111 0.948 2.223 -1.983 1.00 1.04 H new ATOM 0 HD13 LEU A 111 0.573 2.477 -3.704 1.00 1.04 H new ATOM 0 HD21 LEU A 111 -0.990 -0.105 -4.071 1.00 0.33 H new ATOM 0 HD22 LEU A 111 0.228 0.522 -5.206 1.00 0.33 H new ATOM 0 HD23 LEU A 111 0.375 -1.132 -4.568 1.00 0.33 H new ATOM 1787 N LEU A 112 5.328 -0.586 -4.124 1.00 60.33 N ATOM 1788 CA LEU A 112 6.404 -0.494 -5.084 1.00 12.04 C ATOM 1789 C LEU A 112 7.310 -1.724 -4.973 1.00 41.35 C ATOM 1790 O LEU A 112 7.835 -2.176 -5.980 1.00 12.43 O ATOM 1791 CB LEU A 112 7.054 0.868 -4.840 1.00 60.33 C ATOM 1792 CG LEU A 112 8.409 0.936 -4.143 1.00 23.30 C ATOM 1793 CD1 LEU A 112 9.511 1.029 -5.198 1.00 41.32 C ATOM 1794 CD2 LEU A 112 8.352 2.163 -3.241 1.00 34.34 C ATOM 0 H LEU A 112 5.558 -0.157 -3.227 1.00 60.33 H new ATOM 0 HA LEU A 112 6.088 -0.522 -6.127 1.00 12.04 H new ATOM 0 HB2 LEU A 112 7.159 1.359 -5.808 1.00 60.33 H new ATOM 0 HB3 LEU A 112 6.354 1.464 -4.254 1.00 60.33 H new ATOM 0 HG LEU A 112 8.629 0.052 -3.545 1.00 23.30 H new ATOM 0 HD11 LEU A 112 10.482 1.078 -4.706 1.00 41.32 H new ATOM 0 HD12 LEU A 112 9.474 0.150 -5.841 1.00 41.32 H new ATOM 0 HD13 LEU A 112 9.364 1.926 -5.800 1.00 41.32 H new ATOM 0 HD21 LEU A 112 9.298 2.269 -2.710 1.00 34.34 H new ATOM 0 HD22 LEU A 112 8.174 3.052 -3.847 1.00 34.34 H new ATOM 0 HD23 LEU A 112 7.543 2.047 -2.520 1.00 34.34 H new ATOM 1806 N ALA A 113 7.401 -2.359 -3.798 1.00 52.41 N ATOM 1807 CA ALA A 113 7.915 -3.720 -3.676 1.00 2.10 C ATOM 1808 C ALA A 113 7.013 -4.696 -4.431 1.00 5.03 C ATOM 1809 O ALA A 113 7.549 -5.564 -5.104 1.00 72.32 O ATOM 1810 CB ALA A 113 8.007 -4.107 -2.195 1.00 55.01 C ATOM 0 H ALA A 113 7.120 -1.942 -2.911 1.00 52.41 H new ATOM 0 HA ALA A 113 8.912 -3.767 -4.115 1.00 2.10 H new ATOM 0 HB1 ALA A 113 8.391 -5.123 -2.108 1.00 55.01 H new ATOM 0 HB2 ALA A 113 8.679 -3.420 -1.680 1.00 55.01 H new ATOM 0 HB3 ALA A 113 7.017 -4.053 -1.743 1.00 55.01 H new ATOM 1816 N TYR A 114 5.680 -4.586 -4.374 1.00 24.24 N ATOM 1817 CA TYR A 114 4.809 -5.611 -4.956 1.00 5.50 C ATOM 1818 C TYR A 114 5.101 -5.835 -6.438 1.00 64.13 C ATOM 1819 O TYR A 114 5.179 -6.984 -6.878 1.00 0.12 O ATOM 1820 CB TYR A 114 3.336 -5.248 -4.773 1.00 14.04 C ATOM 1821 CG TYR A 114 2.372 -6.190 -5.478 1.00 51.44 C ATOM 1822 CD1 TYR A 114 2.323 -7.548 -5.120 1.00 21.22 C ATOM 1823 CD2 TYR A 114 1.527 -5.710 -6.499 1.00 24.12 C ATOM 1824 CE1 TYR A 114 1.437 -8.424 -5.770 1.00 31.11 C ATOM 1825 CE2 TYR A 114 0.585 -6.561 -7.106 1.00 0.02 C ATOM 1826 CZ TYR A 114 0.564 -7.933 -6.766 1.00 53.05 C ATOM 1827 OH TYR A 114 -0.343 -8.758 -7.353 1.00 4.50 O ATOM 0 H TYR A 114 5.187 -3.808 -3.936 1.00 24.24 H new ATOM 0 HA TYR A 114 5.018 -6.539 -4.423 1.00 5.50 H new ATOM 0 HB2 TYR A 114 3.105 -5.239 -3.708 1.00 14.04 H new ATOM 0 HB3 TYR A 114 3.174 -4.236 -5.143 1.00 14.04 H new ATOM 0 HD1 TYR A 114 2.970 -7.921 -4.340 1.00 21.22 H new ATOM 0 HD2 TYR A 114 1.603 -4.681 -6.818 1.00 24.12 H new ATOM 0 HE1 TYR A 114 1.424 -9.472 -5.508 1.00 31.11 H new ATOM 0 HE2 TYR A 114 -0.117 -6.169 -7.827 1.00 0.02 H new ATOM 0 HH TYR A 114 -0.862 -8.255 -8.015 1.00 4.50 H new ATOM 1837 N ARG A 115 5.308 -4.762 -7.214 1.00 1.42 N ATOM 1838 CA ARG A 115 5.619 -4.934 -8.627 1.00 3.53 C ATOM 1839 C ARG A 115 6.916 -5.712 -8.824 1.00 33.40 C ATOM 1840 O ARG A 115 7.000 -6.505 -9.759 1.00 62.44 O ATOM 1841 CB ARG A 115 5.638 -3.596 -9.378 1.00 41.03 C ATOM 1842 CG ARG A 115 6.500 -2.485 -8.762 1.00 32.14 C ATOM 1843 CD ARG A 115 6.413 -1.176 -9.561 1.00 2.14 C ATOM 1844 NE ARG A 115 7.727 -0.550 -9.767 1.00 31.42 N ATOM 1845 CZ ARG A 115 8.610 -0.822 -10.739 1.00 41.45 C ATOM 1846 NH1 ARG A 115 8.357 -1.781 -11.623 1.00 12.11 N ATOM 1847 NH2 ARG A 115 9.742 -0.138 -10.837 1.00 55.41 N ATOM 0 H ARG A 115 5.266 -3.795 -6.893 1.00 1.42 H new ATOM 0 HA ARG A 115 4.815 -5.528 -9.062 1.00 3.53 H new ATOM 0 HB2 ARG A 115 5.989 -3.778 -10.394 1.00 41.03 H new ATOM 0 HB3 ARG A 115 4.614 -3.232 -9.455 1.00 41.03 H new ATOM 0 HG2 ARG A 115 6.179 -2.305 -7.736 1.00 32.14 H new ATOM 0 HG3 ARG A 115 7.538 -2.814 -8.718 1.00 32.14 H new ATOM 0 HD2 ARG A 115 5.954 -1.376 -10.529 1.00 2.14 H new ATOM 0 HD3 ARG A 115 5.760 -0.478 -9.037 1.00 2.14 H new ATOM 0 HE ARG A 115 7.997 0.170 -9.097 1.00 31.42 H new ATOM 0 HH11 ARG A 115 7.489 -2.313 -11.564 1.00 12.11 H new ATOM 0 HH12 ARG A 115 9.031 -1.985 -12.361 1.00 12.11 H new ATOM 0 HH21 ARG A 115 9.949 0.604 -10.169 1.00 55.41 H new ATOM 0 HH22 ARG A 115 10.406 -0.354 -11.581 1.00 55.41 H new ATOM 1861 N ARG A 116 7.925 -5.527 -7.968 1.00 72.25 N ATOM 1862 CA ARG A 116 9.210 -6.229 -8.048 1.00 41.04 C ATOM 1863 C ARG A 116 8.991 -7.749 -8.015 1.00 11.21 C ATOM 1864 O ARG A 116 9.703 -8.495 -8.683 1.00 12.14 O ATOM 1865 CB ARG A 116 10.136 -5.763 -6.909 1.00 12.24 C ATOM 1866 CG ARG A 116 10.376 -4.250 -6.837 1.00 33.44 C ATOM 1867 CD ARG A 116 11.216 -3.710 -7.998 1.00 13.31 C ATOM 1868 NE ARG A 116 12.597 -3.398 -7.597 1.00 15.31 N ATOM 1869 CZ ARG A 116 13.641 -3.305 -8.428 1.00 54.25 C ATOM 1870 NH1 ARG A 116 13.491 -3.438 -9.739 1.00 14.42 N ATOM 1871 NH2 ARG A 116 14.845 -3.081 -7.925 1.00 24.34 N ATOM 0 H ARG A 116 7.871 -4.874 -7.186 1.00 72.25 H new ATOM 0 HA ARG A 116 9.694 -5.987 -8.994 1.00 41.04 H new ATOM 0 HB2 ARG A 116 9.712 -6.093 -5.960 1.00 12.24 H new ATOM 0 HB3 ARG A 116 11.099 -6.262 -7.018 1.00 12.24 H new ATOM 0 HG2 ARG A 116 9.414 -3.737 -6.825 1.00 33.44 H new ATOM 0 HG3 ARG A 116 10.875 -4.013 -5.897 1.00 33.44 H new ATOM 0 HD2 ARG A 116 11.232 -4.445 -8.803 1.00 13.31 H new ATOM 0 HD3 ARG A 116 10.745 -2.811 -8.396 1.00 13.31 H new ATOM 0 HE ARG A 116 12.772 -3.240 -6.605 1.00 15.31 H new ATOM 0 HH11 ARG A 116 12.566 -3.615 -10.131 1.00 14.42 H new ATOM 0 HH12 ARG A 116 14.300 -3.364 -10.355 1.00 14.42 H new ATOM 0 HH21 ARG A 116 14.966 -2.982 -6.917 1.00 24.34 H new ATOM 0 HH22 ARG A 116 15.651 -3.007 -8.545 1.00 24.34 H new ATOM 1885 N SER A 117 7.950 -8.203 -7.319 1.00 71.33 N ATOM 1886 CA SER A 117 7.590 -9.611 -7.221 1.00 73.33 C ATOM 1887 C SER A 117 6.952 -10.138 -8.516 1.00 71.42 C ATOM 1888 O SER A 117 6.997 -11.341 -8.761 1.00 11.42 O ATOM 1889 CB SER A 117 6.613 -9.838 -6.056 1.00 44.54 C ATOM 1890 OG SER A 117 7.071 -10.901 -5.227 1.00 54.02 O ATOM 0 H SER A 117 7.323 -7.589 -6.799 1.00 71.33 H new ATOM 0 HA SER A 117 8.516 -10.159 -7.046 1.00 73.33 H new ATOM 0 HB2 SER A 117 6.518 -8.925 -5.469 1.00 44.54 H new ATOM 0 HB3 SER A 117 5.622 -10.072 -6.444 1.00 44.54 H new ATOM 0 HG SER A 117 6.441 -11.034 -4.488 1.00 54.02 H new ATOM 1896 N GLN A 118 6.310 -9.296 -9.334 1.00 3.23 N ATOM 1897 CA GLN A 118 5.811 -9.719 -10.647 1.00 5.11 C ATOM 1898 C GLN A 118 6.956 -9.778 -11.657 1.00 64.42 C ATOM 1899 O GLN A 118 6.900 -10.520 -12.635 1.00 72.23 O ATOM 1900 CB GLN A 118 4.755 -8.738 -11.167 1.00 43.13 C ATOM 1901 CG GLN A 118 3.465 -8.757 -10.341 1.00 31.40 C ATOM 1902 CD GLN A 118 2.423 -7.787 -10.889 1.00 33.34 C ATOM 1903 OE1 GLN A 118 2.733 -6.845 -11.617 1.00 54.22 O ATOM 1904 NE2 GLN A 118 1.163 -7.950 -10.524 1.00 60.32 N ATOM 0 H GLN A 118 6.124 -8.318 -9.110 1.00 3.23 H new ATOM 0 HA GLN A 118 5.366 -10.707 -10.530 1.00 5.11 H new ATOM 0 HB2 GLN A 118 5.169 -7.730 -11.161 1.00 43.13 H new ATOM 0 HB3 GLN A 118 4.520 -8.980 -12.203 1.00 43.13 H new ATOM 0 HG2 GLN A 118 3.053 -9.766 -10.334 1.00 31.40 H new ATOM 0 HG3 GLN A 118 3.693 -8.499 -9.307 1.00 31.40 H new ATOM 0 HE21 GLN A 118 0.904 -8.730 -9.920 1.00 60.32 H new ATOM 0 HE22 GLN A 118 0.450 -7.295 -10.846 1.00 60.32 H new