USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=23 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 24 ASN : amide:sc= -1.25 K(o=-1.3,f=-7.3!) USER MOD Set 1.2: A 107 MET CE :methyl 150:sc= -0.0727 (180deg=-0.926) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.247 USER MOD Single : A 15 LYS NZ :NH3+ 163:sc= -0.0454 (180deg=-0.285) USER MOD Single : A 19 SER OG : rot 180:sc= 0.0919 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot -76:sc= 0.0356 USER MOD Single : A 39 GLN : amide:sc= 0.88 K(o=0.88,f=0) USER MOD Single : A 40 SER OG : rot 46:sc= 0.545 USER MOD Single : A 41 CYS SG : rot 180:sc= -0.0122 USER MOD Single : A 43 LYS NZ :NH3+ -157:sc= 1.15 (180deg=0.519) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.362 X(o=-0.36,f=-0.1) USER MOD Single : A 55 TYR OH : rot 15:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= -0.0787 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 161:sc= -0.0636 (180deg=-0.416) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot -160:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 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+ -142:sc= 0.878 (180deg=0.139) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0022 USER MOD Single : A 108 THR OG1 : rot 71:sc= 0.4 USER MOD Single : A 109 ASN : amide:sc= 0.335 K(o=0.34,f=-3.8!) USER MOD Single : A 114 TYR OH : rot 100:sc= 0.434 USER MOD Single : A 117 SER OG : rot -70:sc= 0.471 USER MOD Single : A 118 GLN : amide:sc= 0.148 K(o=0.15,f=-2.3!) USER MOD ----------------------------------------------------------------- ATOM 18 N GLY A 2 -2.833 -9.319 -10.224 1.00 54.42 N ATOM 19 CA GLY A 2 -1.465 -8.962 -10.589 1.00 50.50 C ATOM 20 C GLY A 2 -1.296 -7.567 -11.156 1.00 60.21 C ATOM 21 O GLY A 2 -0.591 -7.380 -12.146 1.00 73.42 O ATOM 0 HA2 GLY A 2 -0.833 -9.058 -9.706 1.00 50.50 H new ATOM 0 HA3 GLY A 2 -1.101 -9.682 -11.322 1.00 50.50 H new ATOM 25 N ILE A 3 -1.931 -6.586 -10.524 1.00 2.03 N ATOM 26 CA ILE A 3 -1.936 -5.199 -10.970 1.00 4.32 C ATOM 27 C ILE A 3 -0.501 -4.683 -11.052 1.00 72.15 C ATOM 28 O ILE A 3 0.344 -5.001 -10.210 1.00 41.42 O ATOM 29 CB ILE A 3 -2.747 -4.310 -10.008 1.00 62.13 C ATOM 30 CG1 ILE A 3 -4.048 -5.010 -9.576 1.00 12.13 C ATOM 31 CG2 ILE A 3 -3.040 -2.923 -10.612 1.00 3.13 C ATOM 32 CD1 ILE A 3 -4.944 -4.118 -8.707 1.00 5.10 C ATOM 0 H ILE A 3 -2.468 -6.737 -9.670 1.00 2.03 H new ATOM 0 HA ILE A 3 -2.403 -5.157 -11.954 1.00 4.32 H new ATOM 0 HB ILE A 3 -2.134 -4.151 -9.121 1.00 62.13 H new ATOM 0 HG12 ILE A 3 -4.601 -5.318 -10.463 1.00 12.13 H new ATOM 0 HG13 ILE A 3 -3.801 -5.917 -9.024 1.00 12.13 H new ATOM 0 HG21 ILE A 3 -3.614 -2.330 -9.900 1.00 3.13 H new ATOM 0 HG22 ILE A 3 -2.100 -2.416 -10.833 1.00 3.13 H new ATOM 0 HG23 ILE A 3 -3.614 -3.040 -11.531 1.00 3.13 H new ATOM 0 HD11 ILE A 3 -5.846 -4.665 -8.433 1.00 5.10 H new ATOM 0 HD12 ILE A 3 -4.405 -3.831 -7.804 1.00 5.10 H new ATOM 0 HD13 ILE A 3 -5.218 -3.223 -9.266 1.00 5.10 H new ATOM 44 N THR A 4 -0.275 -3.834 -12.041 1.00 10.31 N ATOM 45 CA THR A 4 1.003 -3.208 -12.324 1.00 2.13 C ATOM 46 C THR A 4 1.138 -1.910 -11.533 1.00 75.04 C ATOM 47 O THR A 4 0.145 -1.206 -11.309 1.00 42.23 O ATOM 48 CB THR A 4 1.101 -2.956 -13.831 1.00 34.33 C ATOM 49 OG1 THR A 4 0.868 -4.174 -14.519 1.00 13.23 O ATOM 50 CG2 THR A 4 2.460 -2.355 -14.194 1.00 21.25 C ATOM 0 H THR A 4 -1.007 -3.552 -12.693 1.00 10.31 H new ATOM 0 HA THR A 4 1.820 -3.863 -12.020 1.00 2.13 H new ATOM 0 HB THR A 4 0.343 -2.232 -14.132 1.00 34.33 H new ATOM 0 HG1 THR A 4 0.927 -4.021 -15.485 1.00 13.23 H new ATOM 0 HG21 THR A 4 2.507 -2.185 -15.270 1.00 21.25 H new ATOM 0 HG22 THR A 4 2.591 -1.408 -13.670 1.00 21.25 H new ATOM 0 HG23 THR A 4 3.252 -3.044 -13.901 1.00 21.25 H new ATOM 58 N ILE A 5 2.372 -1.576 -11.149 1.00 41.42 N ATOM 59 CA ILE A 5 2.681 -0.517 -10.209 1.00 34.23 C ATOM 60 C ILE A 5 3.692 0.435 -10.832 1.00 42.43 C ATOM 61 O ILE A 5 4.898 0.192 -10.836 1.00 51.04 O ATOM 62 CB ILE A 5 3.192 -1.115 -8.884 1.00 63.55 C ATOM 63 CG1 ILE A 5 2.336 -2.269 -8.322 1.00 64.23 C ATOM 64 CG2 ILE A 5 3.371 0.010 -7.870 1.00 75.05 C ATOM 65 CD1 ILE A 5 0.931 -1.880 -7.858 1.00 11.32 C ATOM 0 H ILE A 5 3.202 -2.054 -11.499 1.00 41.42 H new ATOM 0 HA ILE A 5 1.779 0.051 -9.981 1.00 34.23 H new ATOM 0 HB ILE A 5 4.152 -1.586 -9.095 1.00 63.55 H new ATOM 0 HG12 ILE A 5 2.247 -3.039 -9.089 1.00 64.23 H new ATOM 0 HG13 ILE A 5 2.867 -2.716 -7.481 1.00 64.23 H new ATOM 0 HG21 ILE A 5 3.733 -0.403 -6.928 1.00 75.05 H new ATOM 0 HG22 ILE A 5 4.094 0.732 -8.251 1.00 75.05 H new ATOM 0 HG23 ILE A 5 2.415 0.507 -7.705 1.00 75.05 H new ATOM 0 HD11 ILE A 5 0.415 -2.763 -7.481 1.00 11.32 H new ATOM 0 HD12 ILE A 5 1.003 -1.136 -7.065 1.00 11.32 H new ATOM 0 HD13 ILE A 5 0.373 -1.464 -8.697 1.00 11.32 H new ATOM 77 N THR A 6 3.162 1.534 -11.332 1.00 75.11 N ATOM 78 CA THR A 6 3.921 2.667 -11.822 1.00 24.21 C ATOM 79 C THR A 6 4.692 3.323 -10.666 1.00 52.54 C ATOM 80 O THR A 6 4.182 3.456 -9.554 1.00 43.25 O ATOM 81 CB THR A 6 2.973 3.615 -12.574 1.00 41.23 C ATOM 82 OG1 THR A 6 1.730 3.807 -11.936 1.00 52.15 O ATOM 83 CG2 THR A 6 2.634 3.009 -13.930 1.00 64.41 C ATOM 0 H THR A 6 2.154 1.667 -11.411 1.00 75.11 H new ATOM 0 HA THR A 6 4.682 2.355 -12.538 1.00 24.21 H new ATOM 0 HB THR A 6 3.501 4.567 -12.630 1.00 41.23 H new ATOM 0 HG1 THR A 6 1.181 4.420 -12.467 1.00 52.15 H new ATOM 0 HG21 THR A 6 1.962 3.676 -14.469 1.00 64.41 H new ATOM 0 HG22 THR A 6 3.549 2.873 -14.507 1.00 64.41 H new ATOM 0 HG23 THR A 6 2.149 2.044 -13.786 1.00 64.41 H new ATOM 91 N ASP A 7 5.934 3.738 -10.917 1.00 33.54 N ATOM 92 CA ASP A 7 6.730 4.547 -9.996 1.00 44.04 C ATOM 93 C ASP A 7 6.083 5.916 -9.829 1.00 14.03 C ATOM 94 O ASP A 7 6.063 6.477 -8.732 1.00 33.43 O ATOM 95 CB ASP A 7 8.159 4.738 -10.534 1.00 22.33 C ATOM 96 CG ASP A 7 9.118 3.611 -10.137 1.00 72.21 C ATOM 97 OD1 ASP A 7 8.877 2.955 -9.101 1.00 10.14 O ATOM 98 OD2 ASP A 7 10.117 3.367 -10.863 1.00 4.14 O ATOM 0 H ASP A 7 6.424 3.516 -11.784 1.00 33.54 H new ATOM 0 HA ASP A 7 6.775 4.030 -9.037 1.00 44.04 H new ATOM 0 HB2 ASP A 7 8.123 4.807 -11.621 1.00 22.33 H new ATOM 0 HB3 ASP A 7 8.553 5.686 -10.167 1.00 22.33 H new ATOM 103 N GLU A 8 5.515 6.452 -10.909 1.00 52.44 N ATOM 104 CA GLU A 8 4.825 7.734 -10.885 1.00 33.42 C ATOM 105 C GLU A 8 3.625 7.703 -9.941 1.00 63.22 C ATOM 106 O GLU A 8 3.377 8.682 -9.241 1.00 33.32 O ATOM 107 CB GLU A 8 4.360 8.076 -12.299 1.00 14.14 C ATOM 108 CG GLU A 8 5.526 8.386 -13.238 1.00 3.32 C ATOM 109 CD GLU A 8 5.090 9.250 -14.423 1.00 73.53 C ATOM 110 OE1 GLU A 8 3.969 9.083 -14.960 1.00 11.01 O ATOM 111 OE2 GLU A 8 5.868 10.156 -14.793 1.00 25.32 O ATOM 0 H GLU A 8 5.522 6.005 -11.826 1.00 52.44 H new ATOM 0 HA GLU A 8 5.517 8.494 -10.521 1.00 33.42 H new ATOM 0 HB2 GLU A 8 3.785 7.242 -12.701 1.00 14.14 H new ATOM 0 HB3 GLU A 8 3.690 8.935 -12.260 1.00 14.14 H new ATOM 0 HG2 GLU A 8 6.312 8.900 -12.684 1.00 3.32 H new ATOM 0 HG3 GLU A 8 5.953 7.453 -13.606 1.00 3.32 H new ATOM 118 N LEU A 9 2.898 6.584 -9.874 1.00 11.44 N ATOM 119 CA LEU A 9 1.779 6.426 -8.978 1.00 51.12 C ATOM 120 C LEU A 9 2.262 6.459 -7.535 1.00 2.53 C ATOM 121 O LEU A 9 1.558 6.979 -6.682 1.00 21.10 O ATOM 122 CB LEU A 9 1.090 5.112 -9.341 1.00 60.42 C ATOM 123 CG LEU A 9 0.145 4.593 -8.275 1.00 4.11 C ATOM 124 CD1 LEU A 9 -1.059 5.517 -8.077 1.00 24.32 C ATOM 125 CD2 LEU A 9 -0.291 3.171 -8.636 1.00 71.41 C ATOM 0 H LEU A 9 3.082 5.763 -10.450 1.00 11.44 H new ATOM 0 HA LEU A 9 1.062 7.241 -9.078 1.00 51.12 H new ATOM 0 HB2 LEU A 9 0.534 5.250 -10.268 1.00 60.42 H new ATOM 0 HB3 LEU A 9 1.851 4.357 -9.535 1.00 60.42 H new ATOM 0 HG LEU A 9 0.673 4.573 -7.322 1.00 4.11 H new ATOM 0 HD11 LEU A 9 -1.709 5.107 -7.305 1.00 24.32 H new ATOM 0 HD12 LEU A 9 -0.713 6.505 -7.773 1.00 24.32 H new ATOM 0 HD13 LEU A 9 -1.613 5.598 -9.012 1.00 24.32 H new ATOM 0 HD21 LEU A 9 -0.971 2.794 -7.872 1.00 71.41 H new ATOM 0 HD22 LEU A 9 -0.798 3.180 -9.601 1.00 71.41 H new ATOM 0 HD23 LEU A 9 0.585 2.525 -8.693 1.00 71.41 H new ATOM 137 N LEU A 10 3.442 5.927 -7.221 1.00 62.14 N ATOM 138 CA LEU A 10 3.917 5.934 -5.843 1.00 64.11 C ATOM 139 C LEU A 10 4.125 7.369 -5.368 1.00 73.15 C ATOM 140 O LEU A 10 3.773 7.694 -4.229 1.00 41.11 O ATOM 141 CB LEU A 10 5.193 5.100 -5.722 1.00 14.34 C ATOM 142 CG LEU A 10 4.996 3.568 -5.753 1.00 21.11 C ATOM 143 CD1 LEU A 10 5.170 2.999 -4.351 1.00 64.14 C ATOM 144 CD2 LEU A 10 3.640 3.036 -6.236 1.00 32.45 C ATOM 0 H LEU A 10 4.076 5.493 -7.892 1.00 62.14 H new ATOM 0 HA LEU A 10 3.166 5.480 -5.197 1.00 64.11 H new ATOM 0 HB2 LEU A 10 5.865 5.378 -6.534 1.00 14.34 H new ATOM 0 HB3 LEU A 10 5.692 5.365 -4.790 1.00 14.34 H new ATOM 0 HG LEU A 10 5.743 3.252 -6.481 1.00 21.11 H new ATOM 0 HD11 LEU A 10 5.030 1.918 -4.377 1.00 64.14 H new ATOM 0 HD12 LEU A 10 6.172 3.227 -3.988 1.00 64.14 H new ATOM 0 HD13 LEU A 10 4.432 3.444 -3.683 1.00 64.14 H new ATOM 0 HD21 LEU A 10 3.645 1.946 -6.205 1.00 32.45 H new ATOM 0 HD22 LEU A 10 2.849 3.414 -5.588 1.00 32.45 H new ATOM 0 HD23 LEU A 10 3.462 3.369 -7.258 1.00 32.45 H new ATOM 156 N TRP A 11 4.625 8.244 -6.246 1.00 23.43 N ATOM 157 CA TRP A 11 4.714 9.670 -5.970 1.00 12.13 C ATOM 158 C TRP A 11 3.334 10.301 -5.721 1.00 12.05 C ATOM 159 O TRP A 11 3.273 11.309 -5.022 1.00 1.55 O ATOM 160 CB TRP A 11 5.491 10.384 -7.088 1.00 55.03 C ATOM 161 CG TRP A 11 6.974 10.141 -7.068 1.00 15.33 C ATOM 162 CD1 TRP A 11 7.647 9.347 -7.930 1.00 52.11 C ATOM 163 CD2 TRP A 11 7.987 10.692 -6.164 1.00 64.32 C ATOM 164 NE1 TRP A 11 8.992 9.367 -7.631 1.00 63.31 N ATOM 165 CE2 TRP A 11 9.254 10.139 -6.521 1.00 3.24 C ATOM 166 CE3 TRP A 11 7.978 11.598 -5.076 1.00 54.13 C ATOM 167 CZ2 TRP A 11 10.419 10.400 -5.781 1.00 24.55 C ATOM 168 CZ3 TRP A 11 9.155 11.904 -4.362 1.00 61.42 C ATOM 169 CH2 TRP A 11 10.362 11.266 -4.682 1.00 32.55 C ATOM 0 H TRP A 11 4.977 7.978 -7.165 1.00 23.43 H new ATOM 0 HA TRP A 11 5.271 9.799 -5.042 1.00 12.13 H new ATOM 0 HB2 TRP A 11 5.096 10.062 -8.051 1.00 55.03 H new ATOM 0 HB3 TRP A 11 5.310 11.456 -7.012 1.00 55.03 H new ATOM 0 HD1 TRP A 11 7.198 8.781 -8.733 1.00 52.11 H new ATOM 0 HE1 TRP A 11 9.705 8.871 -8.166 1.00 63.31 H new ATOM 0 HE3 TRP A 11 7.049 12.065 -4.786 1.00 54.13 H new ATOM 0 HZ2 TRP A 11 11.354 9.935 -6.058 1.00 24.55 H new ATOM 0 HZ3 TRP A 11 9.127 12.633 -3.565 1.00 61.42 H new ATOM 0 HH2 TRP A 11 11.244 11.442 -4.084 1.00 32.55 H new ATOM 180 N ALA A 12 2.223 9.713 -6.177 1.00 54.43 N ATOM 181 CA ALA A 12 0.893 10.308 -6.052 1.00 42.32 C ATOM 182 C ALA A 12 0.430 10.389 -4.597 1.00 52.14 C ATOM 183 O ALA A 12 -0.205 11.372 -4.206 1.00 52.55 O ATOM 184 CB ALA A 12 -0.125 9.501 -6.861 1.00 53.43 C ATOM 0 H ALA A 12 2.224 8.807 -6.645 1.00 54.43 H new ATOM 0 HA ALA A 12 0.960 11.324 -6.441 1.00 42.32 H new ATOM 0 HB1 ALA A 12 -1.111 9.954 -6.760 1.00 53.43 H new ATOM 0 HB2 ALA A 12 0.166 9.496 -7.911 1.00 53.43 H new ATOM 0 HB3 ALA A 12 -0.156 8.477 -6.489 1.00 53.43 H new ATOM 190 N ILE A 13 0.744 9.362 -3.797 1.00 54.20 N ATOM 191 CA ILE A 13 0.492 9.332 -2.363 1.00 2.35 C ATOM 192 C ILE A 13 1.353 10.409 -1.687 1.00 64.43 C ATOM 193 O ILE A 13 0.929 11.036 -0.717 1.00 43.20 O ATOM 194 CB ILE A 13 0.794 7.919 -1.788 1.00 25.00 C ATOM 195 CG1 ILE A 13 -0.006 6.755 -2.418 1.00 13.24 C ATOM 196 CG2 ILE A 13 0.444 7.877 -0.297 1.00 75.12 C ATOM 197 CD1 ILE A 13 0.625 6.154 -3.671 1.00 63.34 C ATOM 0 H ILE A 13 1.190 8.513 -4.143 1.00 54.20 H new ATOM 0 HA ILE A 13 -0.559 9.543 -2.165 1.00 2.35 H new ATOM 0 HB ILE A 13 1.852 7.774 -2.009 1.00 25.00 H new ATOM 0 HG12 ILE A 13 -0.124 5.968 -1.673 1.00 13.24 H new ATOM 0 HG13 ILE A 13 -1.006 7.111 -2.666 1.00 13.24 H new ATOM 0 HG21 ILE A 13 0.658 6.884 0.099 1.00 75.12 H new ATOM 0 HG22 ILE A 13 1.039 8.617 0.238 1.00 75.12 H new ATOM 0 HG23 ILE A 13 -0.615 8.100 -0.165 1.00 75.12 H new ATOM 0 HD11 ILE A 13 -0.004 5.345 -4.043 1.00 63.34 H new ATOM 0 HD12 ILE A 13 0.717 6.924 -4.437 1.00 63.34 H new ATOM 0 HD13 ILE A 13 1.613 5.763 -3.429 1.00 63.34 H new ATOM 209 N LEU A 14 2.584 10.574 -2.171 1.00 30.55 N ATOM 210 CA LEU A 14 3.635 11.321 -1.504 1.00 13.12 C ATOM 211 C LEU A 14 3.451 12.820 -1.697 1.00 65.10 C ATOM 212 O LEU A 14 3.526 13.578 -0.724 1.00 44.14 O ATOM 213 CB LEU A 14 4.995 10.846 -2.045 1.00 72.42 C ATOM 214 CG LEU A 14 5.322 9.391 -1.644 1.00 22.04 C ATOM 215 CD1 LEU A 14 6.461 8.791 -2.477 1.00 14.41 C ATOM 216 CD2 LEU A 14 5.696 9.349 -0.163 1.00 72.35 C ATOM 0 H LEU A 14 2.880 10.178 -3.063 1.00 30.55 H new ATOM 0 HA LEU A 14 3.590 11.136 -0.431 1.00 13.12 H new ATOM 0 HB2 LEU A 14 4.997 10.928 -3.132 1.00 72.42 H new ATOM 0 HB3 LEU A 14 5.779 11.506 -1.674 1.00 72.42 H new ATOM 0 HG LEU A 14 4.432 8.791 -1.835 1.00 22.04 H new ATOM 0 HD11 LEU A 14 6.649 7.767 -2.153 1.00 14.41 H new ATOM 0 HD12 LEU A 14 6.181 8.792 -3.530 1.00 14.41 H new ATOM 0 HD13 LEU A 14 7.364 9.386 -2.341 1.00 14.41 H new ATOM 0 HD21 LEU A 14 5.928 8.324 0.125 1.00 72.35 H new ATOM 0 HD22 LEU A 14 6.568 9.980 0.010 1.00 72.35 H new ATOM 0 HD23 LEU A 14 4.860 9.713 0.434 1.00 72.35 H new ATOM 228 N LYS A 15 3.253 13.243 -2.945 1.00 53.43 N ATOM 229 CA LYS A 15 3.100 14.626 -3.336 1.00 3.32 C ATOM 230 C LYS A 15 1.767 15.154 -2.814 1.00 32.33 C ATOM 231 O LYS A 15 1.741 15.688 -1.703 1.00 42.01 O ATOM 232 CB LYS A 15 3.199 14.695 -4.872 1.00 64.31 C ATOM 233 CG LYS A 15 4.565 14.278 -5.445 1.00 73.44 C ATOM 234 CD LYS A 15 5.645 15.292 -5.069 1.00 54.14 C ATOM 235 CE LYS A 15 6.938 15.157 -5.884 1.00 51.10 C ATOM 236 NZ LYS A 15 6.718 15.334 -7.335 1.00 63.01 N ATOM 0 H LYS A 15 3.194 12.600 -3.734 1.00 53.43 H new ATOM 0 HA LYS A 15 3.881 15.255 -2.909 1.00 3.32 H new ATOM 0 HB2 LYS A 15 2.429 14.055 -5.302 1.00 64.31 H new ATOM 0 HB3 LYS A 15 2.981 15.714 -5.192 1.00 64.31 H new ATOM 0 HG2 LYS A 15 4.838 13.293 -5.066 1.00 73.44 H new ATOM 0 HG3 LYS A 15 4.499 14.196 -6.530 1.00 73.44 H new ATOM 0 HD2 LYS A 15 5.247 16.298 -5.202 1.00 54.14 H new ATOM 0 HD3 LYS A 15 5.881 15.180 -4.011 1.00 54.14 H new ATOM 0 HE2 LYS A 15 7.660 15.896 -5.537 1.00 51.10 H new ATOM 0 HE3 LYS A 15 7.375 14.175 -5.704 1.00 51.10 H new ATOM 0 HZ1 LYS A 15 7.627 15.521 -7.804 1.00 63.01 H new ATOM 0 HZ2 LYS A 15 6.296 14.470 -7.730 1.00 63.01 H new ATOM 0 HZ3 LYS A 15 6.076 16.136 -7.493 1.00 63.01 H new ATOM 250 N ASP A 16 0.668 14.981 -3.560 1.00 43.21 N ATOM 251 CA ASP A 16 -0.613 15.646 -3.339 1.00 51.41 C ATOM 252 C ASP A 16 -1.640 15.341 -4.441 1.00 40.13 C ATOM 253 O ASP A 16 -2.557 16.125 -4.698 1.00 0.14 O ATOM 254 CB ASP A 16 -0.448 17.160 -3.171 1.00 23.21 C ATOM 255 CG ASP A 16 0.304 17.920 -4.268 1.00 54.22 C ATOM 256 OD1 ASP A 16 0.351 17.503 -5.452 1.00 13.45 O ATOM 257 OD2 ASP A 16 0.852 18.988 -3.919 1.00 44.44 O ATOM 0 H ASP A 16 0.651 14.350 -4.362 1.00 43.21 H new ATOM 0 HA ASP A 16 -1.002 15.236 -2.407 1.00 51.41 H new ATOM 0 HB2 ASP A 16 -1.442 17.598 -3.081 1.00 23.21 H new ATOM 0 HB3 ASP A 16 0.066 17.339 -2.227 1.00 23.21 H new ATOM 262 N GLU A 17 -1.506 14.220 -5.139 1.00 23.20 N ATOM 263 CA GLU A 17 -2.480 13.752 -6.096 1.00 11.23 C ATOM 264 C GLU A 17 -3.564 12.977 -5.328 1.00 12.30 C ATOM 265 O GLU A 17 -4.681 13.484 -5.178 1.00 53.41 O ATOM 266 CB GLU A 17 -1.723 12.968 -7.171 1.00 1.33 C ATOM 267 CG GLU A 17 -2.672 12.062 -7.940 1.00 44.32 C ATOM 268 CD GLU A 17 -2.107 11.601 -9.282 1.00 31.22 C ATOM 269 OE1 GLU A 17 -1.778 12.449 -10.140 1.00 20.14 O ATOM 270 OE2 GLU A 17 -2.002 10.372 -9.491 1.00 33.51 O ATOM 0 H GLU A 17 -0.698 13.604 -5.048 1.00 23.20 H new ATOM 0 HA GLU A 17 -3.012 14.544 -6.623 1.00 11.23 H new ATOM 0 HB2 GLU A 17 -1.235 13.660 -7.858 1.00 1.33 H new ATOM 0 HB3 GLU A 17 -0.937 12.371 -6.708 1.00 1.33 H new ATOM 0 HG2 GLU A 17 -2.904 11.188 -7.331 1.00 44.32 H new ATOM 0 HG3 GLU A 17 -3.610 12.590 -8.110 1.00 44.32 H new ATOM 277 N LEU A 18 -3.237 11.789 -4.800 1.00 32.42 N ATOM 278 CA LEU A 18 -4.190 10.970 -4.053 1.00 0.12 C ATOM 279 C LEU A 18 -4.539 11.675 -2.757 1.00 4.45 C ATOM 280 O LEU A 18 -3.742 12.429 -2.186 1.00 20.42 O ATOM 281 CB LEU A 18 -3.627 9.576 -3.719 1.00 3.23 C ATOM 282 CG LEU A 18 -3.956 8.519 -4.794 1.00 34.10 C ATOM 283 CD1 LEU A 18 -2.791 7.569 -4.860 1.00 3.32 C ATOM 284 CD2 LEU A 18 -5.260 7.730 -4.578 1.00 11.22 C ATOM 0 H LEU A 18 -2.309 11.374 -4.880 1.00 32.42 H new ATOM 0 HA LEU A 18 -5.071 10.836 -4.681 1.00 0.12 H new ATOM 0 HB2 LEU A 18 -2.545 9.645 -3.605 1.00 3.23 H new ATOM 0 HB3 LEU A 18 -4.029 9.248 -2.760 1.00 3.23 H new ATOM 0 HG LEU A 18 -4.121 9.059 -5.727 1.00 34.10 H new ATOM 0 HD11 LEU A 18 -2.987 6.804 -5.612 1.00 3.32 H new ATOM 0 HD12 LEU A 18 -1.888 8.118 -5.128 1.00 3.32 H new ATOM 0 HD13 LEU A 18 -2.652 7.095 -3.888 1.00 3.32 H new ATOM 0 HD21 LEU A 18 -5.392 7.016 -5.391 1.00 11.22 H new ATOM 0 HD22 LEU A 18 -5.209 7.195 -3.630 1.00 11.22 H new ATOM 0 HD23 LEU A 18 -6.104 8.420 -4.560 1.00 11.22 H new ATOM 296 N SER A 19 -5.674 11.279 -2.208 1.00 35.24 N ATOM 297 CA SER A 19 -6.101 11.692 -0.878 1.00 1.33 C ATOM 298 C SER A 19 -5.755 10.578 0.114 1.00 53.43 C ATOM 299 O SER A 19 -5.127 9.574 -0.241 1.00 53.50 O ATOM 300 CB SER A 19 -7.588 12.086 -0.877 1.00 22.44 C ATOM 301 OG SER A 19 -7.943 12.760 0.322 1.00 0.53 O ATOM 0 H SER A 19 -6.333 10.656 -2.675 1.00 35.24 H new ATOM 0 HA SER A 19 -5.569 12.590 -0.563 1.00 1.33 H new ATOM 0 HB2 SER A 19 -7.797 12.728 -1.733 1.00 22.44 H new ATOM 0 HB3 SER A 19 -8.203 11.193 -0.991 1.00 22.44 H new ATOM 0 HG SER A 19 -8.893 13.000 0.294 1.00 0.53 H new ATOM 307 N ASP A 20 -6.118 10.786 1.376 1.00 52.34 N ATOM 308 CA ASP A 20 -5.925 9.839 2.463 1.00 32.44 C ATOM 309 C ASP A 20 -6.656 8.528 2.161 1.00 64.24 C ATOM 310 O ASP A 20 -6.008 7.524 1.876 1.00 4.01 O ATOM 311 CB ASP A 20 -6.249 10.449 3.846 1.00 53.11 C ATOM 312 CG ASP A 20 -7.543 11.246 4.023 1.00 73.21 C ATOM 313 OD1 ASP A 20 -8.620 10.801 3.566 1.00 22.54 O ATOM 314 OD2 ASP A 20 -7.481 12.320 4.667 1.00 14.33 O ATOM 0 H ASP A 20 -6.570 11.649 1.678 1.00 52.34 H new ATOM 0 HA ASP A 20 -4.865 9.594 2.528 1.00 32.44 H new ATOM 0 HB2 ASP A 20 -6.264 9.634 4.569 1.00 53.11 H new ATOM 0 HB3 ASP A 20 -5.421 11.103 4.119 1.00 53.11 H new ATOM 319 N ALA A 21 -7.987 8.538 2.146 1.00 3.40 N ATOM 320 CA ALA A 21 -8.826 7.376 1.890 1.00 3.30 C ATOM 321 C ALA A 21 -8.550 6.769 0.519 1.00 75.31 C ATOM 322 O ALA A 21 -8.471 5.552 0.378 1.00 62.24 O ATOM 323 CB ALA A 21 -10.293 7.797 1.976 1.00 45.13 C ATOM 0 H ALA A 21 -8.527 9.386 2.318 1.00 3.40 H new ATOM 0 HA ALA A 21 -8.599 6.618 2.639 1.00 3.30 H new ATOM 0 HB1 ALA A 21 -10.931 6.934 1.786 1.00 45.13 H new ATOM 0 HB2 ALA A 21 -10.501 8.190 2.971 1.00 45.13 H new ATOM 0 HB3 ALA A 21 -10.494 8.568 1.232 1.00 45.13 H new ATOM 329 N GLU A 22 -8.411 7.626 -0.493 1.00 34.13 N ATOM 330 CA GLU A 22 -8.260 7.207 -1.878 1.00 51.21 C ATOM 331 C GLU A 22 -6.962 6.427 -2.051 1.00 53.52 C ATOM 332 O GLU A 22 -6.955 5.424 -2.762 1.00 22.13 O ATOM 333 CB GLU A 22 -8.298 8.422 -2.814 1.00 73.21 C ATOM 334 CG GLU A 22 -9.658 9.119 -2.759 1.00 5.23 C ATOM 335 CD GLU A 22 -9.717 10.382 -3.616 1.00 51.42 C ATOM 336 OE1 GLU A 22 -8.811 11.236 -3.477 1.00 3.01 O ATOM 337 OE2 GLU A 22 -10.739 10.614 -4.293 1.00 1.30 O ATOM 0 H GLU A 22 -8.401 8.638 -0.368 1.00 34.13 H new ATOM 0 HA GLU A 22 -9.092 6.553 -2.141 1.00 51.21 H new ATOM 0 HB2 GLU A 22 -7.514 9.125 -2.533 1.00 73.21 H new ATOM 0 HB3 GLU A 22 -8.090 8.104 -3.836 1.00 73.21 H new ATOM 0 HG2 GLU A 22 -10.430 8.425 -3.092 1.00 5.23 H new ATOM 0 HG3 GLU A 22 -9.886 9.377 -1.725 1.00 5.23 H new ATOM 344 N ALA A 23 -5.886 6.853 -1.374 1.00 21.42 N ATOM 345 CA ALA A 23 -4.605 6.168 -1.468 1.00 33.14 C ATOM 346 C ALA A 23 -4.750 4.723 -0.966 1.00 32.20 C ATOM 347 O ALA A 23 -4.085 3.828 -1.486 1.00 71.11 O ATOM 348 CB ALA A 23 -3.528 6.884 -0.645 1.00 74.21 C ATOM 0 H ALA A 23 -5.885 7.667 -0.759 1.00 21.42 H new ATOM 0 HA ALA A 23 -4.299 6.171 -2.514 1.00 33.14 H new ATOM 0 HB1 ALA A 23 -2.584 6.347 -0.736 1.00 74.21 H new ATOM 0 HB2 ALA A 23 -3.404 7.902 -1.015 1.00 74.21 H new ATOM 0 HB3 ALA A 23 -3.829 6.913 0.402 1.00 74.21 H new ATOM 354 N ASN A 24 -5.606 4.480 0.038 1.00 41.13 N ATOM 355 CA ASN A 24 -5.817 3.138 0.580 1.00 64.33 C ATOM 356 C ASN A 24 -6.420 2.229 -0.485 1.00 31.54 C ATOM 357 O ASN A 24 -6.060 1.054 -0.540 1.00 60.42 O ATOM 358 CB ASN A 24 -6.748 3.105 1.802 1.00 31.24 C ATOM 359 CG ASN A 24 -6.322 3.921 3.009 1.00 74.33 C ATOM 360 OD1 ASN A 24 -5.144 4.045 3.328 1.00 14.21 O ATOM 361 ND2 ASN A 24 -7.271 4.454 3.757 1.00 22.23 N ATOM 0 H ASN A 24 -6.165 5.204 0.490 1.00 41.13 H new ATOM 0 HA ASN A 24 -4.832 2.793 0.895 1.00 64.33 H new ATOM 0 HB2 ASN A 24 -7.733 3.451 1.488 1.00 31.24 H new ATOM 0 HB3 ASN A 24 -6.860 2.067 2.116 1.00 31.24 H new ATOM 0 HD21 ASN A 24 -7.025 4.970 4.602 1.00 22.23 H new ATOM 0 HD22 ASN A 24 -8.250 4.350 3.490 1.00 22.23 H new ATOM 368 N ALA A 25 -7.324 2.761 -1.317 1.00 70.44 N ATOM 369 CA ALA A 25 -8.052 1.979 -2.304 1.00 41.44 C ATOM 370 C ALA A 25 -7.106 1.212 -3.214 1.00 73.41 C ATOM 371 O ALA A 25 -7.363 0.042 -3.505 1.00 12.13 O ATOM 372 CB ALA A 25 -8.972 2.867 -3.140 1.00 74.15 C ATOM 0 H ALA A 25 -7.567 3.752 -1.318 1.00 70.44 H new ATOM 0 HA ALA A 25 -8.661 1.260 -1.757 1.00 41.44 H new ATOM 0 HB1 ALA A 25 -9.503 2.256 -3.869 1.00 74.15 H new ATOM 0 HB2 ALA A 25 -9.692 3.361 -2.488 1.00 74.15 H new ATOM 0 HB3 ALA A 25 -8.378 3.618 -3.660 1.00 74.15 H new ATOM 378 N LEU A 26 -6.029 1.852 -3.677 1.00 70.31 N ATOM 379 CA LEU A 26 -5.074 1.223 -4.584 1.00 3.23 C ATOM 380 C LEU A 26 -4.272 0.099 -3.915 1.00 34.11 C ATOM 381 O LEU A 26 -3.890 -0.860 -4.588 1.00 60.31 O ATOM 382 CB LEU A 26 -4.160 2.303 -5.165 1.00 55.14 C ATOM 383 CG LEU A 26 -4.939 3.419 -5.900 1.00 23.10 C ATOM 384 CD1 LEU A 26 -3.943 4.382 -6.525 1.00 74.11 C ATOM 385 CD2 LEU A 26 -5.891 2.907 -6.987 1.00 75.04 C ATOM 0 H LEU A 26 -5.798 2.815 -3.434 1.00 70.31 H new ATOM 0 HA LEU A 26 -5.628 0.742 -5.390 1.00 3.23 H new ATOM 0 HB2 LEU A 26 -3.573 2.746 -4.361 1.00 55.14 H new ATOM 0 HB3 LEU A 26 -3.456 1.842 -5.857 1.00 55.14 H new ATOM 0 HG LEU A 26 -5.563 3.908 -5.152 1.00 23.10 H new ATOM 0 HD11 LEU A 26 -4.481 5.174 -7.046 1.00 74.11 H new ATOM 0 HD12 LEU A 26 -3.321 4.819 -5.744 1.00 74.11 H new ATOM 0 HD13 LEU A 26 -3.312 3.844 -7.233 1.00 74.11 H new ATOM 0 HD21 LEU A 26 -6.398 3.751 -7.454 1.00 75.04 H new ATOM 0 HD22 LEU A 26 -5.323 2.363 -7.741 1.00 75.04 H new ATOM 0 HD23 LEU A 26 -6.630 2.242 -6.540 1.00 75.04 H new ATOM 397 N VAL A 27 -4.078 0.140 -2.595 1.00 53.20 N ATOM 398 CA VAL A 27 -3.552 -1.007 -1.855 1.00 1.13 C ATOM 399 C VAL A 27 -4.604 -2.125 -1.850 1.00 22.32 C ATOM 400 O VAL A 27 -4.276 -3.268 -2.176 1.00 34.31 O ATOM 401 CB VAL A 27 -3.100 -0.598 -0.434 1.00 54.14 C ATOM 402 CG1 VAL A 27 -2.558 -1.803 0.347 1.00 71.31 C ATOM 403 CG2 VAL A 27 -2.006 0.483 -0.470 1.00 35.11 C ATOM 0 H VAL A 27 -4.278 0.956 -2.017 1.00 53.20 H new ATOM 0 HA VAL A 27 -2.658 -1.387 -2.350 1.00 1.13 H new ATOM 0 HB VAL A 27 -3.985 -0.200 0.063 1.00 54.14 H new ATOM 0 HG11 VAL A 27 -2.249 -1.482 1.342 1.00 71.31 H new ATOM 0 HG12 VAL A 27 -3.338 -2.560 0.436 1.00 71.31 H new ATOM 0 HG13 VAL A 27 -1.702 -2.224 -0.181 1.00 71.31 H new ATOM 0 HG21 VAL A 27 -1.717 0.742 0.549 1.00 35.11 H new ATOM 0 HG22 VAL A 27 -1.138 0.104 -1.009 1.00 35.11 H new ATOM 0 HG23 VAL A 27 -2.388 1.370 -0.975 1.00 35.11 H new ATOM 413 N TRP A 28 -5.864 -1.811 -1.519 1.00 53.14 N ATOM 414 CA TRP A 28 -6.945 -2.792 -1.425 1.00 34.51 C ATOM 415 C TRP A 28 -7.067 -3.602 -2.722 1.00 25.20 C ATOM 416 O TRP A 28 -7.085 -4.839 -2.672 1.00 20.43 O ATOM 417 CB TRP A 28 -8.278 -2.103 -1.072 1.00 22.41 C ATOM 418 CG TRP A 28 -8.333 -1.262 0.174 1.00 34.33 C ATOM 419 CD1 TRP A 28 -7.514 -1.346 1.251 1.00 52.51 C ATOM 420 CD2 TRP A 28 -9.265 -0.175 0.473 1.00 44.42 C ATOM 421 NE1 TRP A 28 -7.866 -0.384 2.180 1.00 2.02 N ATOM 422 CE2 TRP A 28 -8.905 0.398 1.726 1.00 61.24 C ATOM 423 CE3 TRP A 28 -10.373 0.397 -0.191 1.00 72.32 C ATOM 424 CZ2 TRP A 28 -9.576 1.502 2.268 1.00 54.35 C ATOM 425 CZ3 TRP A 28 -11.026 1.537 0.317 1.00 11.11 C ATOM 426 CH2 TRP A 28 -10.610 2.106 1.534 1.00 45.13 C ATOM 0 H TRP A 28 -6.161 -0.858 -1.308 1.00 53.14 H new ATOM 0 HA TRP A 28 -6.703 -3.488 -0.622 1.00 34.51 H new ATOM 0 HB2 TRP A 28 -8.559 -1.470 -1.914 1.00 22.41 H new ATOM 0 HB3 TRP A 28 -9.041 -2.877 -0.986 1.00 22.41 H new ATOM 0 HD1 TRP A 28 -6.709 -2.056 1.366 1.00 52.51 H new ATOM 0 HE1 TRP A 28 -7.413 -0.268 3.087 1.00 2.02 H new ATOM 0 HE3 TRP A 28 -10.727 -0.050 -1.108 1.00 72.32 H new ATOM 0 HZ2 TRP A 28 -9.301 1.885 3.240 1.00 54.35 H new ATOM 0 HZ3 TRP A 28 -11.848 1.975 -0.229 1.00 11.11 H new ATOM 0 HH2 TRP A 28 -11.084 3.004 1.903 1.00 45.13 H new ATOM 437 N GLN A 29 -7.102 -2.925 -3.880 1.00 14.41 N ATOM 438 CA GLN A 29 -7.213 -3.615 -5.167 1.00 23.41 C ATOM 439 C GLN A 29 -6.028 -4.550 -5.410 1.00 33.21 C ATOM 440 O GLN A 29 -6.254 -5.682 -5.820 1.00 3.11 O ATOM 441 CB GLN A 29 -7.417 -2.654 -6.354 1.00 22.34 C ATOM 442 CG GLN A 29 -6.449 -1.482 -6.424 1.00 43.03 C ATOM 443 CD GLN A 29 -6.527 -0.700 -7.730 1.00 35.05 C ATOM 444 OE1 GLN A 29 -5.531 -0.535 -8.424 1.00 61.34 O ATOM 445 NE2 GLN A 29 -7.694 -0.179 -8.059 1.00 43.34 N ATOM 0 H GLN A 29 -7.055 -1.908 -3.948 1.00 14.41 H new ATOM 0 HA GLN A 29 -8.116 -4.222 -5.104 1.00 23.41 H new ATOM 0 HB2 GLN A 29 -7.336 -3.225 -7.279 1.00 22.34 H new ATOM 0 HB3 GLN A 29 -8.433 -2.261 -6.310 1.00 22.34 H new ATOM 0 HG2 GLN A 29 -6.651 -0.806 -5.593 1.00 43.03 H new ATOM 0 HG3 GLN A 29 -5.433 -1.853 -6.293 1.00 43.03 H new ATOM 0 HE21 GLN A 29 -8.507 -0.332 -7.463 1.00 43.34 H new ATOM 0 HE22 GLN A 29 -7.783 0.377 -8.910 1.00 43.34 H new ATOM 454 N ALA A 30 -4.790 -4.108 -5.167 1.00 1.11 N ATOM 455 CA ALA A 30 -3.592 -4.898 -5.450 1.00 35.31 C ATOM 456 C ALA A 30 -3.542 -6.197 -4.656 1.00 40.24 C ATOM 457 O ALA A 30 -2.966 -7.165 -5.150 1.00 63.31 O ATOM 458 CB ALA A 30 -2.341 -4.089 -5.143 1.00 3.21 C ATOM 0 H ALA A 30 -4.592 -3.190 -4.768 1.00 1.11 H new ATOM 0 HA ALA A 30 -3.634 -5.151 -6.509 1.00 35.31 H new ATOM 0 HB1 ALA A 30 -1.457 -4.690 -5.358 1.00 3.21 H new ATOM 0 HB2 ALA A 30 -2.328 -3.191 -5.760 1.00 3.21 H new ATOM 0 HB3 ALA A 30 -2.340 -3.806 -4.090 1.00 3.21 H new ATOM 464 N LEU A 31 -4.085 -6.237 -3.436 1.00 31.42 N ATOM 465 CA LEU A 31 -4.267 -7.513 -2.751 1.00 52.13 C ATOM 466 C LEU A 31 -5.322 -8.307 -3.505 1.00 44.31 C ATOM 467 O LEU A 31 -5.070 -9.443 -3.888 1.00 4.34 O ATOM 468 CB LEU A 31 -4.682 -7.354 -1.282 1.00 4.31 C ATOM 469 CG LEU A 31 -3.565 -7.149 -0.242 1.00 14.11 C ATOM 470 CD1 LEU A 31 -2.385 -8.116 -0.378 1.00 74.12 C ATOM 471 CD2 LEU A 31 -3.104 -5.698 -0.263 1.00 43.44 C ATOM 0 H LEU A 31 -4.399 -5.419 -2.914 1.00 31.42 H new ATOM 0 HA LEU A 31 -3.309 -8.033 -2.742 1.00 52.13 H new ATOM 0 HB2 LEU A 31 -5.362 -6.505 -1.215 1.00 4.31 H new ATOM 0 HB3 LEU A 31 -5.249 -8.240 -0.996 1.00 4.31 H new ATOM 0 HG LEU A 31 -3.999 -7.384 0.730 1.00 14.11 H new ATOM 0 HD11 LEU A 31 -1.646 -7.900 0.394 1.00 74.12 H new ATOM 0 HD12 LEU A 31 -2.739 -9.141 -0.264 1.00 74.12 H new ATOM 0 HD13 LEU A 31 -1.928 -7.997 -1.361 1.00 74.12 H new ATOM 0 HD21 LEU A 31 -2.314 -5.557 0.474 1.00 43.44 H new ATOM 0 HD22 LEU A 31 -2.724 -5.451 -1.254 1.00 43.44 H new ATOM 0 HD23 LEU A 31 -3.944 -5.046 -0.024 1.00 43.44 H new ATOM 483 N GLY A 32 -6.492 -7.707 -3.720 1.00 23.42 N ATOM 484 CA GLY A 32 -7.612 -8.320 -4.420 1.00 42.41 C ATOM 485 C GLY A 32 -8.963 -7.926 -3.824 1.00 14.31 C ATOM 486 O GLY A 32 -9.990 -8.380 -4.327 1.00 0.31 O ATOM 0 H GLY A 32 -6.689 -6.758 -3.403 1.00 23.42 H new ATOM 0 HA2 GLY A 32 -7.583 -8.028 -5.470 1.00 42.41 H new ATOM 0 HA3 GLY A 32 -7.507 -9.404 -4.387 1.00 42.41 H new ATOM 490 N TYR A 33 -8.990 -7.077 -2.788 1.00 1.31 N ATOM 491 CA TYR A 33 -10.196 -6.519 -2.173 1.00 63.30 C ATOM 492 C TYR A 33 -10.753 -5.362 -3.013 1.00 1.44 C ATOM 493 O TYR A 33 -11.063 -4.279 -2.514 1.00 55.31 O ATOM 494 CB TYR A 33 -9.901 -6.025 -0.760 1.00 1.53 C ATOM 495 CG TYR A 33 -9.205 -6.973 0.189 1.00 34.13 C ATOM 496 CD1 TYR A 33 -9.952 -7.822 1.028 1.00 22.10 C ATOM 497 CD2 TYR A 33 -7.815 -6.854 0.356 1.00 23.13 C ATOM 498 CE1 TYR A 33 -9.316 -8.498 2.084 1.00 53.13 C ATOM 499 CE2 TYR A 33 -7.158 -7.556 1.377 1.00 43.14 C ATOM 500 CZ TYR A 33 -7.922 -8.342 2.274 1.00 3.50 C ATOM 501 OH TYR A 33 -7.317 -8.894 3.355 1.00 51.01 O ATOM 0 H TYR A 33 -8.135 -6.748 -2.339 1.00 1.31 H new ATOM 0 HA TYR A 33 -10.941 -7.313 -2.126 1.00 63.30 H new ATOM 0 HB2 TYR A 33 -9.291 -5.125 -0.841 1.00 1.53 H new ATOM 0 HB3 TYR A 33 -10.846 -5.730 -0.305 1.00 1.53 H new ATOM 0 HD1 TYR A 33 -11.011 -7.954 0.861 1.00 22.10 H new ATOM 0 HD2 TYR A 33 -7.248 -6.217 -0.307 1.00 23.13 H new ATOM 0 HE1 TYR A 33 -9.887 -9.132 2.746 1.00 53.13 H new ATOM 0 HE2 TYR A 33 -6.084 -7.498 1.478 1.00 43.14 H new ATOM 0 HH TYR A 33 -7.521 -8.361 4.152 1.00 51.01 H new ATOM 511 N VAL A 34 -10.845 -5.576 -4.315 1.00 75.32 N ATOM 512 CA VAL A 34 -11.717 -4.796 -5.175 1.00 64.12 C ATOM 513 C VAL A 34 -13.163 -4.904 -4.668 1.00 73.14 C ATOM 514 O VAL A 34 -13.648 -6.002 -4.381 1.00 65.33 O ATOM 515 CB VAL A 34 -11.447 -5.180 -6.646 1.00 61.55 C ATOM 516 CG1 VAL A 34 -11.286 -6.696 -6.850 1.00 74.04 C ATOM 517 CG2 VAL A 34 -12.583 -4.701 -7.558 1.00 61.33 C ATOM 0 H VAL A 34 -10.316 -6.297 -4.806 1.00 75.32 H new ATOM 0 HA VAL A 34 -11.510 -3.727 -5.137 1.00 64.12 H new ATOM 0 HB VAL A 34 -10.509 -4.689 -6.907 1.00 61.55 H new ATOM 0 HG11 VAL A 34 -11.098 -6.903 -7.903 1.00 74.04 H new ATOM 0 HG12 VAL A 34 -10.447 -7.056 -6.254 1.00 74.04 H new ATOM 0 HG13 VAL A 34 -12.198 -7.204 -6.537 1.00 74.04 H new ATOM 0 HG21 VAL A 34 -12.367 -4.985 -8.588 1.00 61.33 H new ATOM 0 HG22 VAL A 34 -13.520 -5.161 -7.244 1.00 61.33 H new ATOM 0 HG23 VAL A 34 -12.671 -3.617 -7.491 1.00 61.33 H new ATOM 527 N TRP A 35 -13.820 -3.750 -4.522 1.00 54.14 N ATOM 528 CA TRP A 35 -15.242 -3.657 -4.236 1.00 73.23 C ATOM 529 C TRP A 35 -16.008 -4.188 -5.439 1.00 72.42 C ATOM 530 O TRP A 35 -15.827 -3.679 -6.553 1.00 5.42 O ATOM 531 CB TRP A 35 -15.645 -2.201 -3.966 1.00 74.41 C ATOM 532 CG TRP A 35 -17.121 -1.994 -3.813 1.00 45.02 C ATOM 533 CD1 TRP A 35 -17.962 -1.531 -4.766 1.00 3.12 C ATOM 534 CD2 TRP A 35 -17.958 -2.295 -2.660 1.00 30.41 C ATOM 535 NE1 TRP A 35 -19.247 -1.486 -4.270 1.00 61.52 N ATOM 536 CE2 TRP A 35 -19.309 -1.975 -2.984 1.00 71.11 C ATOM 537 CE3 TRP A 35 -17.708 -2.809 -1.371 1.00 22.52 C ATOM 538 CZ2 TRP A 35 -20.362 -2.167 -2.080 1.00 31.43 C ATOM 539 CZ3 TRP A 35 -18.754 -3.003 -0.451 1.00 43.24 C ATOM 540 CH2 TRP A 35 -20.078 -2.690 -0.808 1.00 22.23 C ATOM 0 H TRP A 35 -13.364 -2.841 -4.602 1.00 54.14 H new ATOM 0 HA TRP A 35 -15.475 -4.244 -3.347 1.00 73.23 H new ATOM 0 HB2 TRP A 35 -15.145 -1.859 -3.060 1.00 74.41 H new ATOM 0 HB3 TRP A 35 -15.284 -1.578 -4.784 1.00 74.41 H new ATOM 0 HD1 TRP A 35 -17.671 -1.241 -5.765 1.00 3.12 H new ATOM 0 HE1 TRP A 35 -20.051 -1.135 -4.790 1.00 61.52 H new ATOM 0 HE3 TRP A 35 -16.697 -3.058 -1.085 1.00 22.52 H new ATOM 0 HZ2 TRP A 35 -21.376 -1.917 -2.357 1.00 31.43 H new ATOM 0 HZ3 TRP A 35 -18.540 -3.394 0.533 1.00 43.24 H new ATOM 0 HH2 TRP A 35 -20.879 -2.852 -0.102 1.00 22.23 H new ATOM 551 N ASP A 36 -16.874 -5.171 -5.207 1.00 4.32 N ATOM 552 CA ASP A 36 -17.854 -5.613 -6.195 1.00 23.04 C ATOM 553 C ASP A 36 -19.206 -5.008 -5.876 1.00 5.32 C ATOM 554 O ASP A 36 -19.886 -5.424 -4.944 1.00 53.33 O ATOM 555 CB ASP A 36 -17.947 -7.144 -6.335 1.00 61.12 C ATOM 556 CG ASP A 36 -17.503 -7.638 -7.714 1.00 1.23 C ATOM 557 OD1 ASP A 36 -16.759 -6.937 -8.439 1.00 12.31 O ATOM 558 OD2 ASP A 36 -17.972 -8.695 -8.177 1.00 64.44 O ATOM 0 H ASP A 36 -16.916 -5.685 -4.327 1.00 4.32 H new ATOM 0 HA ASP A 36 -17.511 -5.257 -7.166 1.00 23.04 H new ATOM 0 HB2 ASP A 36 -17.329 -7.613 -5.569 1.00 61.12 H new ATOM 0 HB3 ASP A 36 -18.974 -7.460 -6.154 1.00 61.12 H new ATOM 563 N GLU A 37 -19.595 -4.030 -6.685 1.00 24.44 N ATOM 564 CA GLU A 37 -20.868 -3.334 -6.624 1.00 34.34 C ATOM 565 C GLU A 37 -22.056 -4.278 -6.829 1.00 4.43 C ATOM 566 O GLU A 37 -23.077 -4.099 -6.167 1.00 53.30 O ATOM 567 CB GLU A 37 -20.788 -2.215 -7.668 1.00 15.01 C ATOM 568 CG GLU A 37 -22.106 -1.535 -8.061 1.00 54.50 C ATOM 569 CD GLU A 37 -21.848 -0.073 -8.416 1.00 34.42 C ATOM 570 OE1 GLU A 37 -21.631 0.697 -7.450 1.00 43.55 O ATOM 571 OE2 GLU A 37 -21.809 0.303 -9.610 1.00 73.12 O ATOM 0 H GLU A 37 -18.999 -3.686 -7.438 1.00 24.44 H new ATOM 0 HA GLU A 37 -21.045 -2.912 -5.635 1.00 34.34 H new ATOM 0 HB2 GLU A 37 -20.110 -1.449 -7.292 1.00 15.01 H new ATOM 0 HB3 GLU A 37 -20.336 -2.625 -8.571 1.00 15.01 H new ATOM 0 HG2 GLU A 37 -22.553 -2.052 -8.910 1.00 54.50 H new ATOM 0 HG3 GLU A 37 -22.818 -1.599 -7.238 1.00 54.50 H new ATOM 578 N ALA A 38 -21.917 -5.297 -7.680 1.00 61.33 N ATOM 579 CA ALA A 38 -22.975 -6.266 -7.951 1.00 54.31 C ATOM 580 C ALA A 38 -23.285 -7.072 -6.696 1.00 10.34 C ATOM 581 O ALA A 38 -24.454 -7.252 -6.357 1.00 2.41 O ATOM 582 CB ALA A 38 -22.547 -7.224 -9.070 1.00 43.32 C ATOM 0 H ALA A 38 -21.059 -5.472 -8.203 1.00 61.33 H new ATOM 0 HA ALA A 38 -23.866 -5.721 -8.263 1.00 54.31 H new ATOM 0 HB1 ALA A 38 -23.346 -7.941 -9.261 1.00 43.32 H new ATOM 0 HB2 ALA A 38 -22.345 -6.656 -9.978 1.00 43.32 H new ATOM 0 HB3 ALA A 38 -21.646 -7.757 -8.767 1.00 43.32 H new ATOM 588 N GLN A 39 -22.221 -7.523 -6.021 1.00 0.11 N ATOM 589 CA GLN A 39 -22.305 -8.326 -4.815 1.00 20.41 C ATOM 590 C GLN A 39 -22.493 -7.457 -3.567 1.00 70.34 C ATOM 591 O GLN A 39 -22.655 -7.979 -2.466 1.00 31.24 O ATOM 592 CB GLN A 39 -21.062 -9.210 -4.679 1.00 35.40 C ATOM 593 CG GLN A 39 -20.894 -10.177 -5.854 1.00 11.22 C ATOM 594 CD GLN A 39 -19.671 -11.079 -5.704 1.00 4.03 C ATOM 595 OE1 GLN A 39 -19.607 -11.959 -4.845 1.00 51.14 O ATOM 596 NE2 GLN A 39 -18.637 -10.873 -6.504 1.00 35.51 N ATOM 0 H GLN A 39 -21.262 -7.331 -6.311 1.00 0.11 H new ATOM 0 HA GLN A 39 -23.184 -8.965 -4.900 1.00 20.41 H new ATOM 0 HB2 GLN A 39 -20.177 -8.577 -4.605 1.00 35.40 H new ATOM 0 HB3 GLN A 39 -21.125 -9.779 -3.752 1.00 35.40 H new ATOM 0 HG2 GLN A 39 -21.788 -10.795 -5.941 1.00 11.22 H new ATOM 0 HG3 GLN A 39 -20.809 -9.607 -6.779 1.00 11.22 H new ATOM 0 HE21 GLN A 39 -18.682 -10.146 -7.218 1.00 35.51 H new ATOM 0 HE22 GLN A 39 -17.796 -11.441 -6.406 1.00 35.51 H new ATOM 605 N SER A 40 -22.380 -6.140 -3.736 1.00 61.44 N ATOM 606 CA SER A 40 -22.276 -5.113 -2.721 1.00 10.43 C ATOM 607 C SER A 40 -21.300 -5.509 -1.603 1.00 35.20 C ATOM 608 O SER A 40 -21.673 -5.437 -0.426 1.00 71.45 O ATOM 609 CB SER A 40 -23.675 -4.669 -2.248 1.00 3.13 C ATOM 610 OG SER A 40 -24.239 -5.589 -1.333 1.00 64.01 O ATOM 0 H SER A 40 -22.358 -5.738 -4.673 1.00 61.44 H new ATOM 0 HA SER A 40 -21.825 -4.222 -3.158 1.00 10.43 H new ATOM 0 HB2 SER A 40 -23.605 -3.687 -1.779 1.00 3.13 H new ATOM 0 HB3 SER A 40 -24.334 -4.564 -3.110 1.00 3.13 H new ATOM 0 HG SER A 40 -23.569 -5.834 -0.661 1.00 64.01 H new ATOM 616 N CYS A 41 -20.104 -6.006 -1.943 1.00 23.22 N ATOM 617 CA CYS A 41 -19.151 -6.448 -0.927 1.00 40.12 C ATOM 618 C CYS A 41 -17.696 -6.270 -1.355 1.00 33.21 C ATOM 619 O CYS A 41 -17.374 -6.003 -2.516 1.00 72.34 O ATOM 620 CB CYS A 41 -19.436 -7.905 -0.524 1.00 33.53 C ATOM 621 SG CYS A 41 -19.012 -9.084 -1.842 1.00 40.40 S ATOM 0 H CYS A 41 -19.779 -6.110 -2.904 1.00 23.22 H new ATOM 0 HA CYS A 41 -19.292 -5.805 -0.058 1.00 40.12 H new ATOM 0 HB2 CYS A 41 -18.868 -8.148 0.374 1.00 33.53 H new ATOM 0 HB3 CYS A 41 -20.491 -8.010 -0.272 1.00 33.53 H new ATOM 0 HG CYS A 41 -19.272 -10.293 -1.442 1.00 40.40 H new ATOM 627 N TRP A 42 -16.799 -6.449 -0.387 1.00 72.15 N ATOM 628 CA TRP A 42 -15.368 -6.546 -0.609 1.00 24.14 C ATOM 629 C TRP A 42 -15.046 -7.959 -1.076 1.00 30.54 C ATOM 630 O TRP A 42 -15.158 -8.906 -0.290 1.00 54.43 O ATOM 631 CB TRP A 42 -14.644 -6.202 0.696 1.00 52.02 C ATOM 632 CG TRP A 42 -14.932 -4.816 1.165 1.00 0.12 C ATOM 633 CD1 TRP A 42 -15.676 -4.475 2.240 1.00 31.24 C ATOM 634 CD2 TRP A 42 -14.550 -3.567 0.527 1.00 1.04 C ATOM 635 NE1 TRP A 42 -15.783 -3.101 2.305 1.00 71.11 N ATOM 636 CE2 TRP A 42 -15.084 -2.487 1.286 1.00 31.21 C ATOM 637 CE3 TRP A 42 -13.832 -3.246 -0.642 1.00 34.22 C ATOM 638 CZ2 TRP A 42 -14.871 -1.150 0.922 1.00 32.35 C ATOM 639 CZ3 TRP A 42 -13.581 -1.910 -0.994 1.00 63.20 C ATOM 640 CH2 TRP A 42 -14.107 -0.862 -0.222 1.00 52.41 C ATOM 0 H TRP A 42 -17.060 -6.532 0.596 1.00 72.15 H new ATOM 0 HA TRP A 42 -15.036 -5.847 -1.376 1.00 24.14 H new ATOM 0 HB2 TRP A 42 -14.940 -6.912 1.469 1.00 52.02 H new ATOM 0 HB3 TRP A 42 -13.570 -6.317 0.552 1.00 52.02 H new ATOM 0 HD1 TRP A 42 -16.118 -5.169 2.939 1.00 31.24 H new ATOM 0 HE1 TRP A 42 -16.313 -2.601 3.018 1.00 71.11 H new ATOM 0 HE3 TRP A 42 -13.469 -4.040 -1.277 1.00 34.22 H new ATOM 0 HZ2 TRP A 42 -15.290 -0.350 1.514 1.00 32.35 H new ATOM 0 HZ3 TRP A 42 -12.980 -1.687 -1.863 1.00 63.20 H new ATOM 0 HH2 TRP A 42 -13.925 0.164 -0.507 1.00 52.41 H new ATOM 651 N LYS A 43 -14.651 -8.130 -2.342 1.00 63.55 N ATOM 652 CA LYS A 43 -14.290 -9.459 -2.831 1.00 15.45 C ATOM 653 C LYS A 43 -13.130 -9.999 -2.030 1.00 11.21 C ATOM 654 O LYS A 43 -12.211 -9.268 -1.665 1.00 2.13 O ATOM 655 CB LYS A 43 -13.927 -9.459 -4.313 1.00 62.01 C ATOM 656 CG LYS A 43 -15.203 -9.315 -5.128 1.00 51.13 C ATOM 657 CD LYS A 43 -14.953 -9.547 -6.613 1.00 42.05 C ATOM 658 CE LYS A 43 -14.196 -8.356 -7.192 1.00 65.20 C ATOM 659 NZ LYS A 43 -14.333 -8.259 -8.657 1.00 0.53 N ATOM 0 H LYS A 43 -14.575 -7.382 -3.031 1.00 63.55 H new ATOM 0 HA LYS A 43 -15.166 -10.096 -2.709 1.00 15.45 H new ATOM 0 HB2 LYS A 43 -13.243 -8.640 -4.534 1.00 62.01 H new ATOM 0 HB3 LYS A 43 -13.413 -10.383 -4.576 1.00 62.01 H new ATOM 0 HG2 LYS A 43 -15.946 -10.027 -4.769 1.00 51.13 H new ATOM 0 HG3 LYS A 43 -15.618 -8.318 -4.980 1.00 51.13 H new ATOM 0 HD2 LYS A 43 -14.379 -10.462 -6.758 1.00 42.05 H new ATOM 0 HD3 LYS A 43 -15.900 -9.679 -7.136 1.00 42.05 H new ATOM 0 HE2 LYS A 43 -14.564 -7.438 -6.734 1.00 65.20 H new ATOM 0 HE3 LYS A 43 -13.140 -8.440 -6.934 1.00 65.20 H new ATOM 0 HZ1 LYS A 43 -13.535 -7.717 -9.045 1.00 0.53 H new ATOM 0 HZ2 LYS A 43 -14.337 -9.214 -9.069 1.00 0.53 H new ATOM 0 HZ3 LYS A 43 -15.225 -7.777 -8.891 1.00 0.53 H new ATOM 673 N THR A 44 -13.121 -11.312 -1.869 1.00 32.30 N ATOM 674 CA THR A 44 -12.034 -12.002 -1.210 1.00 22.43 C ATOM 675 C THR A 44 -11.638 -13.219 -2.039 1.00 41.15 C ATOM 676 O THR A 44 -11.332 -14.265 -1.486 1.00 41.14 O ATOM 677 CB THR A 44 -12.382 -12.306 0.258 1.00 41.31 C ATOM 678 OG1 THR A 44 -13.679 -12.855 0.420 1.00 0.33 O ATOM 679 CG2 THR A 44 -12.268 -11.064 1.142 1.00 74.52 C ATOM 0 H THR A 44 -13.869 -11.926 -2.193 1.00 32.30 H new ATOM 0 HA THR A 44 -11.152 -11.365 -1.154 1.00 22.43 H new ATOM 0 HB THR A 44 -11.649 -13.050 0.570 1.00 41.31 H new ATOM 0 HG1 THR A 44 -13.844 -13.029 1.370 1.00 0.33 H new ATOM 0 HG21 THR A 44 -12.522 -11.324 2.169 1.00 74.52 H new ATOM 0 HG22 THR A 44 -11.247 -10.684 1.106 1.00 74.52 H new ATOM 0 HG23 THR A 44 -12.953 -10.297 0.782 1.00 74.52 H new ATOM 687 N ASP A 45 -11.639 -13.091 -3.369 1.00 31.50 N ATOM 688 CA ASP A 45 -11.291 -14.201 -4.264 1.00 41.25 C ATOM 689 C ASP A 45 -9.966 -13.934 -4.958 1.00 43.31 C ATOM 690 O ASP A 45 -9.118 -14.818 -5.044 1.00 40.24 O ATOM 691 CB ASP A 45 -12.385 -14.424 -5.310 1.00 34.11 C ATOM 692 CG ASP A 45 -13.619 -15.148 -4.780 1.00 41.44 C ATOM 693 OD1 ASP A 45 -13.698 -15.392 -3.560 1.00 22.35 O ATOM 694 OD2 ASP A 45 -14.516 -15.457 -5.603 1.00 44.51 O ATOM 0 H ASP A 45 -11.878 -12.225 -3.853 1.00 31.50 H new ATOM 0 HA ASP A 45 -11.199 -15.101 -3.656 1.00 41.25 H new ATOM 0 HB2 ASP A 45 -12.689 -13.458 -5.713 1.00 34.11 H new ATOM 0 HB3 ASP A 45 -11.969 -14.998 -6.138 1.00 34.11 H new ATOM 699 N LEU A 46 -9.752 -12.699 -5.418 1.00 62.13 N ATOM 700 CA LEU A 46 -8.548 -12.302 -6.148 1.00 70.54 C ATOM 701 C LEU A 46 -7.333 -12.076 -5.233 1.00 44.44 C ATOM 702 O LEU A 46 -6.310 -11.582 -5.712 1.00 62.31 O ATOM 703 CB LEU A 46 -8.851 -11.060 -7.008 1.00 62.53 C ATOM 704 CG LEU A 46 -9.861 -11.310 -8.143 1.00 2.34 C ATOM 705 CD1 LEU A 46 -10.091 -10.023 -8.933 1.00 4.33 C ATOM 706 CD2 LEU A 46 -9.352 -12.359 -9.135 1.00 4.44 C ATOM 0 H LEU A 46 -10.419 -11.938 -5.292 1.00 62.13 H new ATOM 0 HA LEU A 46 -8.269 -13.130 -6.799 1.00 70.54 H new ATOM 0 HB2 LEU A 46 -9.235 -10.270 -6.363 1.00 62.53 H new ATOM 0 HB3 LEU A 46 -7.919 -10.695 -7.440 1.00 62.53 H new ATOM 0 HG LEU A 46 -10.780 -11.661 -7.673 1.00 2.34 H new ATOM 0 HD11 LEU A 46 -10.807 -10.210 -9.733 1.00 4.33 H new ATOM 0 HD12 LEU A 46 -10.483 -9.253 -8.268 1.00 4.33 H new ATOM 0 HD13 LEU A 46 -9.147 -9.686 -9.362 1.00 4.33 H new ATOM 0 HD21 LEU A 46 -10.093 -12.507 -9.920 1.00 4.44 H new ATOM 0 HD22 LEU A 46 -8.417 -12.017 -9.578 1.00 4.44 H new ATOM 0 HD23 LEU A 46 -9.183 -13.301 -8.614 1.00 4.44 H new ATOM 718 N VAL A 47 -7.462 -12.399 -3.943 1.00 15.25 N ATOM 719 CA VAL A 47 -6.567 -12.094 -2.827 1.00 54.03 C ATOM 720 C VAL A 47 -6.088 -13.386 -2.150 1.00 3.51 C ATOM 721 O VAL A 47 -6.775 -14.404 -2.191 1.00 54.35 O ATOM 722 CB VAL A 47 -7.278 -11.097 -1.871 1.00 43.10 C ATOM 723 CG1 VAL A 47 -8.736 -11.444 -1.598 1.00 22.24 C ATOM 724 CG2 VAL A 47 -6.532 -10.851 -0.550 1.00 32.55 C ATOM 0 H VAL A 47 -8.273 -12.931 -3.626 1.00 15.25 H new ATOM 0 HA VAL A 47 -5.659 -11.605 -3.179 1.00 54.03 H new ATOM 0 HB VAL A 47 -7.260 -10.161 -2.429 1.00 43.10 H new ATOM 0 HG11 VAL A 47 -9.166 -10.704 -0.923 1.00 22.24 H new ATOM 0 HG12 VAL A 47 -9.291 -11.446 -2.536 1.00 22.24 H new ATOM 0 HG13 VAL A 47 -8.795 -12.431 -1.139 1.00 22.24 H new ATOM 0 HG21 VAL A 47 -7.095 -10.144 0.059 1.00 32.55 H new ATOM 0 HG22 VAL A 47 -6.428 -11.792 -0.010 1.00 32.55 H new ATOM 0 HG23 VAL A 47 -5.544 -10.442 -0.761 1.00 32.55 H new ATOM 734 N ALA A 48 -4.908 -13.351 -1.520 1.00 22.02 N ATOM 735 CA ALA A 48 -4.322 -14.508 -0.852 1.00 12.23 C ATOM 736 C ALA A 48 -5.096 -14.864 0.430 1.00 21.12 C ATOM 737 O ALA A 48 -5.563 -13.960 1.134 1.00 30.10 O ATOM 738 CB ALA A 48 -2.856 -14.216 -0.516 1.00 70.24 C ATOM 0 H ALA A 48 -4.333 -12.511 -1.462 1.00 22.02 H new ATOM 0 HA ALA A 48 -4.381 -15.362 -1.527 1.00 12.23 H new ATOM 0 HB1 ALA A 48 -2.418 -15.080 -0.017 1.00 70.24 H new ATOM 0 HB2 ALA A 48 -2.306 -14.010 -1.434 1.00 70.24 H new ATOM 0 HB3 ALA A 48 -2.799 -13.349 0.143 1.00 70.24 H new ATOM 744 N PRO A 49 -5.170 -16.157 0.798 1.00 41.22 N ATOM 745 CA PRO A 49 -5.897 -16.628 1.970 1.00 34.32 C ATOM 746 C PRO A 49 -5.240 -16.191 3.276 1.00 43.13 C ATOM 747 O PRO A 49 -5.924 -16.144 4.291 1.00 15.22 O ATOM 748 CB PRO A 49 -5.980 -18.148 1.833 1.00 13.31 C ATOM 749 CG PRO A 49 -4.729 -18.494 1.040 1.00 73.40 C ATOM 750 CD PRO A 49 -4.496 -17.271 0.152 1.00 25.31 C ATOM 0 HA PRO A 49 -6.894 -16.189 2.013 1.00 34.32 H new ATOM 0 HB2 PRO A 49 -5.989 -18.640 2.806 1.00 13.31 H new ATOM 0 HB3 PRO A 49 -6.886 -18.456 1.311 1.00 13.31 H new ATOM 0 HG2 PRO A 49 -3.879 -18.676 1.697 1.00 73.40 H new ATOM 0 HG3 PRO A 49 -4.872 -19.396 0.445 1.00 73.40 H new ATOM 0 HD2 PRO A 49 -3.431 -17.069 0.042 1.00 25.31 H new ATOM 0 HD3 PRO A 49 -4.894 -17.437 -0.849 1.00 25.31 H new ATOM 758 N GLU A 50 -3.951 -15.828 3.285 1.00 13.13 N ATOM 759 CA GLU A 50 -3.354 -15.225 4.473 1.00 14.41 C ATOM 760 C GLU A 50 -3.921 -13.836 4.761 1.00 63.35 C ATOM 761 O GLU A 50 -3.986 -13.463 5.926 1.00 45.45 O ATOM 762 CB GLU A 50 -1.823 -15.234 4.421 1.00 22.12 C ATOM 763 CG GLU A 50 -1.174 -14.300 3.394 1.00 63.34 C ATOM 764 CD GLU A 50 0.347 -14.478 3.419 1.00 73.02 C ATOM 765 OE1 GLU A 50 0.857 -15.504 2.919 1.00 42.30 O ATOM 766 OE2 GLU A 50 1.058 -13.634 4.012 1.00 21.02 O ATOM 0 H GLU A 50 -3.315 -15.940 2.496 1.00 13.13 H new ATOM 0 HA GLU A 50 -3.635 -15.854 5.318 1.00 14.41 H new ATOM 0 HB2 GLU A 50 -1.445 -14.971 5.409 1.00 22.12 H new ATOM 0 HB3 GLU A 50 -1.493 -16.252 4.214 1.00 22.12 H new ATOM 0 HG2 GLU A 50 -1.558 -14.517 2.397 1.00 63.34 H new ATOM 0 HG3 GLU A 50 -1.432 -13.265 3.616 1.00 63.34 H new ATOM 773 N TRP A 51 -4.352 -13.091 3.737 1.00 40.51 N ATOM 774 CA TRP A 51 -4.899 -11.750 3.894 1.00 52.32 C ATOM 775 C TRP A 51 -6.386 -11.814 4.217 1.00 63.42 C ATOM 776 O TRP A 51 -6.796 -11.356 5.278 1.00 72.31 O ATOM 777 CB TRP A 51 -4.595 -10.911 2.647 1.00 2.35 C ATOM 778 CG TRP A 51 -3.277 -10.209 2.708 1.00 62.44 C ATOM 779 CD1 TRP A 51 -2.119 -10.685 2.206 1.00 45.25 C ATOM 780 CD2 TRP A 51 -2.957 -8.914 3.307 1.00 11.30 C ATOM 781 NE1 TRP A 51 -1.102 -9.791 2.458 1.00 43.11 N ATOM 782 CE2 TRP A 51 -1.565 -8.661 3.102 1.00 11.01 C ATOM 783 CE3 TRP A 51 -3.692 -7.930 4.013 1.00 21.11 C ATOM 784 CZ2 TRP A 51 -0.944 -7.479 3.539 1.00 22.33 C ATOM 785 CZ3 TRP A 51 -3.070 -6.757 4.479 1.00 5.53 C ATOM 786 CH2 TRP A 51 -1.708 -6.518 4.222 1.00 23.15 C ATOM 0 H TRP A 51 -4.328 -13.411 2.769 1.00 40.51 H new ATOM 0 HA TRP A 51 -4.419 -11.255 4.739 1.00 52.32 H new ATOM 0 HB2 TRP A 51 -4.613 -11.558 1.770 1.00 2.35 H new ATOM 0 HB3 TRP A 51 -5.385 -10.172 2.514 1.00 2.35 H new ATOM 0 HD1 TRP A 51 -2.006 -11.625 1.685 1.00 45.25 H new ATOM 0 HE1 TRP A 51 -0.127 -9.945 2.201 1.00 43.11 H new ATOM 0 HE3 TRP A 51 -4.745 -8.082 4.196 1.00 21.11 H new ATOM 0 HZ2 TRP A 51 0.106 -7.311 3.352 1.00 22.33 H new ATOM 0 HZ3 TRP A 51 -3.644 -6.034 5.039 1.00 5.53 H new ATOM 0 HH2 TRP A 51 -1.250 -5.596 4.549 1.00 23.15 H new ATOM 797 N ARG A 52 -7.199 -12.409 3.336 1.00 0.01 N ATOM 798 CA ARG A 52 -8.659 -12.405 3.502 1.00 3.14 C ATOM 799 C ARG A 52 -9.153 -13.166 4.738 1.00 25.34 C ATOM 800 O ARG A 52 -10.342 -13.088 5.032 1.00 63.12 O ATOM 801 CB ARG A 52 -9.351 -12.896 2.229 1.00 42.23 C ATOM 802 CG ARG A 52 -9.064 -14.360 1.855 1.00 64.02 C ATOM 803 CD ARG A 52 -8.715 -14.447 0.363 1.00 62.43 C ATOM 804 NE ARG A 52 -8.494 -15.821 -0.136 1.00 75.35 N ATOM 805 CZ ARG A 52 -9.388 -16.808 -0.297 1.00 72.23 C ATOM 806 NH1 ARG A 52 -10.689 -16.585 -0.170 1.00 33.23 N ATOM 807 NH2 ARG A 52 -8.980 -18.032 -0.602 1.00 25.53 N ATOM 0 H ARG A 52 -6.873 -12.898 2.503 1.00 0.01 H new ATOM 0 HA ARG A 52 -8.937 -11.366 3.678 1.00 3.14 H new ATOM 0 HB2 ARG A 52 -10.427 -12.772 2.348 1.00 42.23 H new ATOM 0 HB3 ARG A 52 -9.046 -12.259 1.399 1.00 42.23 H new ATOM 0 HG2 ARG A 52 -8.240 -14.745 2.455 1.00 64.02 H new ATOM 0 HG3 ARG A 52 -9.934 -14.980 2.073 1.00 64.02 H new ATOM 0 HD2 ARG A 52 -9.520 -13.990 -0.213 1.00 62.43 H new ATOM 0 HD3 ARG A 52 -7.817 -13.858 0.178 1.00 62.43 H new ATOM 0 HE ARG A 52 -7.533 -16.049 -0.392 1.00 75.35 H new ATOM 0 HH11 ARG A 52 -11.026 -15.649 0.054 1.00 33.23 H new ATOM 0 HH12 ARG A 52 -11.352 -17.350 -0.297 1.00 33.23 H new ATOM 0 HH21 ARG A 52 -7.985 -18.225 -0.715 1.00 25.53 H new ATOM 0 HH22 ARG A 52 -9.661 -18.781 -0.724 1.00 25.53 H new ATOM 821 N GLN A 53 -8.271 -13.880 5.438 1.00 0.35 N ATOM 822 CA GLN A 53 -8.555 -14.830 6.504 1.00 70.04 C ATOM 823 C GLN A 53 -9.578 -14.313 7.511 1.00 30.20 C ATOM 824 O GLN A 53 -10.598 -14.964 7.725 1.00 71.13 O ATOM 825 CB GLN A 53 -7.215 -15.217 7.173 1.00 71.12 C ATOM 826 CG GLN A 53 -7.037 -16.735 7.211 1.00 45.40 C ATOM 827 CD GLN A 53 -5.588 -17.120 7.506 1.00 70.34 C ATOM 828 OE1 GLN A 53 -5.091 -17.017 8.625 1.00 40.23 O ATOM 829 NE2 GLN A 53 -4.877 -17.619 6.507 1.00 22.31 N ATOM 0 H GLN A 53 -7.270 -13.801 5.259 1.00 0.35 H new ATOM 0 HA GLN A 53 -9.022 -15.716 6.073 1.00 70.04 H new ATOM 0 HB2 GLN A 53 -6.388 -14.764 6.626 1.00 71.12 H new ATOM 0 HB3 GLN A 53 -7.183 -14.818 8.187 1.00 71.12 H new ATOM 0 HG2 GLN A 53 -7.690 -17.160 7.973 1.00 45.40 H new ATOM 0 HG3 GLN A 53 -7.341 -17.162 6.256 1.00 45.40 H new ATOM 0 HE21 GLN A 53 -5.291 -17.704 5.579 1.00 22.31 H new ATOM 0 HE22 GLN A 53 -3.915 -17.919 6.666 1.00 22.31 H new ATOM 838 N ASP A 54 -9.316 -13.154 8.100 1.00 54.13 N ATOM 839 CA ASP A 54 -10.068 -12.586 9.216 1.00 42.34 C ATOM 840 C ASP A 54 -10.294 -11.092 8.928 1.00 42.12 C ATOM 841 O ASP A 54 -10.471 -10.289 9.846 1.00 65.14 O ATOM 842 CB ASP A 54 -9.307 -12.847 10.540 1.00 21.20 C ATOM 843 CG ASP A 54 -9.702 -14.157 11.241 1.00 73.22 C ATOM 844 OD1 ASP A 54 -9.356 -15.257 10.749 1.00 74.12 O ATOM 845 OD2 ASP A 54 -10.256 -14.099 12.362 1.00 24.54 O ATOM 0 H ASP A 54 -8.543 -12.558 7.803 1.00 54.13 H new ATOM 0 HA ASP A 54 -11.045 -13.057 9.326 1.00 42.34 H new ATOM 0 HB2 ASP A 54 -8.237 -12.866 10.334 1.00 21.20 H new ATOM 0 HB3 ASP A 54 -9.486 -12.015 11.220 1.00 21.20 H new ATOM 850 N TYR A 55 -10.250 -10.708 7.644 1.00 63.32 N ATOM 851 CA TYR A 55 -10.361 -9.350 7.121 1.00 3.44 C ATOM 852 C TYR A 55 -11.739 -9.208 6.452 1.00 74.12 C ATOM 853 O TYR A 55 -11.862 -9.440 5.245 1.00 40.22 O ATOM 854 CB TYR A 55 -9.212 -9.047 6.136 1.00 74.03 C ATOM 855 CG TYR A 55 -7.912 -8.591 6.785 1.00 74.11 C ATOM 856 CD1 TYR A 55 -7.252 -9.420 7.715 1.00 63.20 C ATOM 857 CD2 TYR A 55 -7.376 -7.317 6.494 1.00 25.22 C ATOM 858 CE1 TYR A 55 -6.117 -8.965 8.407 1.00 44.51 C ATOM 859 CE2 TYR A 55 -6.238 -6.862 7.170 1.00 23.11 C ATOM 860 CZ TYR A 55 -5.619 -7.669 8.147 1.00 64.43 C ATOM 861 OH TYR A 55 -4.597 -7.150 8.878 1.00 4.02 O ATOM 0 H TYR A 55 -10.127 -11.391 6.896 1.00 63.32 H new ATOM 0 HA TYR A 55 -10.276 -8.624 7.929 1.00 3.44 H new ATOM 0 HB2 TYR A 55 -9.012 -9.943 5.548 1.00 74.03 H new ATOM 0 HB3 TYR A 55 -9.543 -8.276 5.441 1.00 74.03 H new ATOM 0 HD1 TYR A 55 -7.624 -10.417 7.898 1.00 63.20 H new ATOM 0 HD2 TYR A 55 -7.845 -6.693 5.748 1.00 25.22 H new ATOM 0 HE1 TYR A 55 -5.630 -9.601 9.131 1.00 44.51 H new ATOM 0 HE2 TYR A 55 -5.832 -5.888 6.942 1.00 23.11 H new ATOM 0 HH TYR A 55 -4.157 -7.867 9.381 1.00 4.02 H new ATOM 871 N PRO A 56 -12.812 -8.882 7.193 1.00 34.32 N ATOM 872 CA PRO A 56 -14.131 -8.642 6.614 1.00 53.53 C ATOM 873 C PRO A 56 -14.234 -7.283 5.912 1.00 44.10 C ATOM 874 O PRO A 56 -15.178 -7.051 5.164 1.00 50.45 O ATOM 875 CB PRO A 56 -15.103 -8.715 7.797 1.00 54.21 C ATOM 876 CG PRO A 56 -14.260 -8.245 8.979 1.00 35.12 C ATOM 877 CD PRO A 56 -12.870 -8.777 8.640 1.00 11.14 C ATOM 0 HA PRO A 56 -14.351 -9.377 5.840 1.00 53.53 H new ATOM 0 HB2 PRO A 56 -15.971 -8.074 7.643 1.00 54.21 H new ATOM 0 HB3 PRO A 56 -15.477 -9.728 7.948 1.00 54.21 H new ATOM 0 HG2 PRO A 56 -14.265 -7.159 9.072 1.00 35.12 H new ATOM 0 HG3 PRO A 56 -14.628 -8.648 9.923 1.00 35.12 H new ATOM 0 HD2 PRO A 56 -12.096 -8.106 9.012 1.00 11.14 H new ATOM 0 HD3 PRO A 56 -12.701 -9.747 9.107 1.00 11.14 H new ATOM 885 N GLU A 57 -13.279 -6.381 6.108 1.00 52.21 N ATOM 886 CA GLU A 57 -13.352 -4.976 5.733 1.00 51.32 C ATOM 887 C GLU A 57 -11.960 -4.506 5.337 1.00 63.50 C ATOM 888 O GLU A 57 -10.977 -5.189 5.650 1.00 22.43 O ATOM 889 CB GLU A 57 -13.823 -4.127 6.927 1.00 70.14 C ATOM 890 CG GLU A 57 -15.341 -3.984 6.984 1.00 63.02 C ATOM 891 CD GLU A 57 -15.721 -2.814 7.881 1.00 34.34 C ATOM 892 OE1 GLU A 57 -15.642 -2.956 9.120 1.00 33.34 O ATOM 893 OE2 GLU A 57 -16.080 -1.732 7.368 1.00 14.31 O ATOM 0 H GLU A 57 -12.393 -6.621 6.553 1.00 52.21 H new ATOM 0 HA GLU A 57 -14.055 -4.865 4.908 1.00 51.32 H new ATOM 0 HB2 GLU A 57 -13.470 -4.581 7.853 1.00 70.14 H new ATOM 0 HB3 GLU A 57 -13.371 -3.137 6.865 1.00 70.14 H new ATOM 0 HG2 GLU A 57 -15.738 -3.827 5.981 1.00 63.02 H new ATOM 0 HG3 GLU A 57 -15.787 -4.903 7.363 1.00 63.02 H new ATOM 900 N PRO A 58 -11.850 -3.347 4.673 1.00 65.21 N ATOM 901 CA PRO A 58 -10.558 -2.815 4.315 1.00 54.43 C ATOM 902 C PRO A 58 -9.709 -2.427 5.533 1.00 13.31 C ATOM 903 O PRO A 58 -10.239 -2.066 6.591 1.00 12.03 O ATOM 904 CB PRO A 58 -10.834 -1.619 3.404 1.00 10.22 C ATOM 905 CG PRO A 58 -12.309 -1.283 3.582 1.00 44.54 C ATOM 906 CD PRO A 58 -12.928 -2.581 4.071 1.00 24.41 C ATOM 0 HA PRO A 58 -9.962 -3.574 3.807 1.00 54.43 H new ATOM 0 HB2 PRO A 58 -10.206 -0.770 3.674 1.00 10.22 H new ATOM 0 HB3 PRO A 58 -10.612 -1.862 2.365 1.00 10.22 H new ATOM 0 HG2 PRO A 58 -12.450 -0.478 4.303 1.00 44.54 H new ATOM 0 HG3 PRO A 58 -12.759 -0.955 2.645 1.00 44.54 H new ATOM 0 HD2 PRO A 58 -13.718 -2.386 4.796 1.00 24.41 H new ATOM 0 HD3 PRO A 58 -13.381 -3.130 3.246 1.00 24.41 H new ATOM 914 N PRO A 59 -8.377 -2.443 5.366 1.00 0.15 N ATOM 915 CA PRO A 59 -7.446 -1.875 6.310 1.00 51.12 C ATOM 916 C PRO A 59 -7.421 -0.352 6.134 1.00 0.35 C ATOM 917 O PRO A 59 -7.015 0.158 5.082 1.00 32.30 O ATOM 918 CB PRO A 59 -6.097 -2.508 5.980 1.00 54.10 C ATOM 919 CG PRO A 59 -6.187 -2.800 4.488 1.00 40.22 C ATOM 920 CD PRO A 59 -7.658 -3.131 4.306 1.00 13.54 C ATOM 0 HA PRO A 59 -7.714 -2.070 7.348 1.00 51.12 H new ATOM 0 HB2 PRO A 59 -5.272 -1.832 6.206 1.00 54.10 H new ATOM 0 HB3 PRO A 59 -5.931 -3.418 6.556 1.00 54.10 H new ATOM 0 HG2 PRO A 59 -5.887 -1.941 3.888 1.00 40.22 H new ATOM 0 HG3 PRO A 59 -5.545 -3.632 4.198 1.00 40.22 H new ATOM 0 HD2 PRO A 59 -8.009 -2.806 3.327 1.00 13.54 H new ATOM 0 HD3 PRO A 59 -7.822 -4.207 4.363 1.00 13.54 H new ATOM 928 N ASP A 60 -7.825 0.384 7.165 1.00 40.30 N ATOM 929 CA ASP A 60 -7.549 1.797 7.308 1.00 24.34 C ATOM 930 C ASP A 60 -6.059 1.938 7.589 1.00 64.42 C ATOM 931 O ASP A 60 -5.643 1.888 8.751 1.00 2.03 O ATOM 932 CB ASP A 60 -8.323 2.372 8.502 1.00 70.13 C ATOM 933 CG ASP A 60 -9.746 2.806 8.207 1.00 62.12 C ATOM 934 OD1 ASP A 60 -10.033 3.311 7.099 1.00 55.34 O ATOM 935 OD2 ASP A 60 -10.560 2.721 9.157 1.00 25.31 O ATOM 0 H ASP A 60 -8.366 -0.001 7.939 1.00 40.30 H new ATOM 0 HA ASP A 60 -7.845 2.330 6.405 1.00 24.34 H new ATOM 0 HB2 ASP A 60 -8.346 1.622 9.293 1.00 70.13 H new ATOM 0 HB3 ASP A 60 -7.773 3.229 8.891 1.00 70.13 H new ATOM 940 N PHE A 61 -5.224 2.120 6.565 1.00 33.20 N ATOM 941 CA PHE A 61 -3.836 2.502 6.823 1.00 52.02 C ATOM 942 C PHE A 61 -3.766 3.926 7.381 1.00 40.55 C ATOM 943 O PHE A 61 -2.751 4.297 7.965 1.00 33.44 O ATOM 944 CB PHE A 61 -2.969 2.383 5.564 1.00 21.43 C ATOM 945 CG PHE A 61 -2.910 0.987 4.983 1.00 53.34 C ATOM 946 CD1 PHE A 61 -2.026 0.033 5.523 1.00 65.54 C ATOM 947 CD2 PHE A 61 -3.745 0.642 3.905 1.00 54.11 C ATOM 948 CE1 PHE A 61 -1.995 -1.273 5.003 1.00 25.20 C ATOM 949 CE2 PHE A 61 -3.698 -0.655 3.375 1.00 41.04 C ATOM 950 CZ PHE A 61 -2.837 -1.615 3.932 1.00 31.04 C ATOM 0 H PHE A 61 -5.473 2.014 5.581 1.00 33.20 H new ATOM 0 HA PHE A 61 -3.440 1.809 7.565 1.00 52.02 H new ATOM 0 HB2 PHE A 61 -3.354 3.065 4.805 1.00 21.43 H new ATOM 0 HB3 PHE A 61 -1.956 2.709 5.801 1.00 21.43 H new ATOM 0 HD1 PHE A 61 -1.371 0.305 6.338 1.00 65.54 H new ATOM 0 HD2 PHE A 61 -4.420 1.374 3.487 1.00 54.11 H new ATOM 0 HE1 PHE A 61 -1.327 -2.009 5.425 1.00 25.20 H new ATOM 0 HE2 PHE A 61 -4.326 -0.917 2.536 1.00 41.04 H new ATOM 0 HZ PHE A 61 -2.822 -2.619 3.535 1.00 31.04 H new ATOM 960 N ILE A 62 -4.791 4.754 7.159 1.00 63.13 N ATOM 961 CA ILE A 62 -4.843 6.134 7.635 1.00 33.43 C ATOM 962 C ILE A 62 -5.109 6.162 9.142 1.00 14.22 C ATOM 963 O ILE A 62 -4.496 6.939 9.878 1.00 62.04 O ATOM 964 CB ILE A 62 -5.920 6.916 6.843 1.00 61.41 C ATOM 965 CG1 ILE A 62 -5.626 6.978 5.330 1.00 34.10 C ATOM 966 CG2 ILE A 62 -6.135 8.337 7.376 1.00 22.33 C ATOM 967 CD1 ILE A 62 -4.348 7.710 4.905 1.00 20.32 C ATOM 0 H ILE A 62 -5.621 4.477 6.634 1.00 63.13 H new ATOM 0 HA ILE A 62 -3.882 6.620 7.465 1.00 33.43 H new ATOM 0 HB ILE A 62 -6.838 6.347 6.993 1.00 61.41 H new ATOM 0 HG12 ILE A 62 -5.575 5.957 4.951 1.00 34.10 H new ATOM 0 HG13 ILE A 62 -6.472 7.458 4.839 1.00 34.10 H new ATOM 0 HG21 ILE A 62 -6.901 8.836 6.782 1.00 22.33 H new ATOM 0 HG22 ILE A 62 -6.456 8.291 8.417 1.00 22.33 H new ATOM 0 HG23 ILE A 62 -5.202 8.896 7.309 1.00 22.33 H new ATOM 0 HD11 ILE A 62 -4.257 7.683 3.819 1.00 20.32 H new ATOM 0 HD12 ILE A 62 -4.394 8.746 5.239 1.00 20.32 H new ATOM 0 HD13 ILE A 62 -3.483 7.222 5.354 1.00 20.32 H new ATOM 979 N ALA A 63 -6.046 5.334 9.604 1.00 11.40 N ATOM 980 CA ALA A 63 -6.716 5.490 10.888 1.00 14.52 C ATOM 981 C ALA A 63 -6.498 4.287 11.812 1.00 21.33 C ATOM 982 O ALA A 63 -7.210 4.151 12.803 1.00 0.24 O ATOM 983 CB ALA A 63 -8.200 5.781 10.628 1.00 41.13 C ATOM 0 H ALA A 63 -6.365 4.518 9.081 1.00 11.40 H new ATOM 0 HA ALA A 63 -6.279 6.332 11.425 1.00 14.52 H new ATOM 0 HB1 ALA A 63 -8.719 5.901 11.579 1.00 41.13 H new ATOM 0 HB2 ALA A 63 -8.294 6.697 10.045 1.00 41.13 H new ATOM 0 HB3 ALA A 63 -8.642 4.952 10.075 1.00 41.13 H new ATOM 989 N SER A 64 -5.547 3.405 11.500 1.00 3.24 N ATOM 990 CA SER A 64 -5.188 2.252 12.311 1.00 61.03 C ATOM 991 C SER A 64 -3.758 1.828 11.940 1.00 72.25 C ATOM 992 O SER A 64 -3.217 2.331 10.947 1.00 1.11 O ATOM 993 CB SER A 64 -6.257 1.175 12.051 1.00 53.41 C ATOM 994 OG SER A 64 -6.467 0.369 13.187 1.00 15.24 O ATOM 0 H SER A 64 -4.991 3.480 10.648 1.00 3.24 H new ATOM 0 HA SER A 64 -5.176 2.454 13.382 1.00 61.03 H new ATOM 0 HB2 SER A 64 -7.194 1.653 11.765 1.00 53.41 H new ATOM 0 HB3 SER A 64 -5.949 0.550 11.213 1.00 53.41 H new ATOM 0 HG SER A 64 -7.152 -0.303 12.989 1.00 15.24 H new ATOM 1000 N ARG A 65 -3.126 0.907 12.692 1.00 61.23 N ATOM 1001 CA ARG A 65 -1.975 0.182 12.144 1.00 23.31 C ATOM 1002 C ARG A 65 -1.907 -1.320 12.511 1.00 41.11 C ATOM 1003 O ARG A 65 -0.808 -1.845 12.695 1.00 11.10 O ATOM 1004 CB ARG A 65 -0.685 0.976 12.496 1.00 65.41 C ATOM 1005 CG ARG A 65 -0.340 1.215 13.985 1.00 23.45 C ATOM 1006 CD ARG A 65 0.323 0.006 14.664 1.00 62.43 C ATOM 1007 NE ARG A 65 0.660 0.219 16.079 1.00 70.11 N ATOM 1008 CZ ARG A 65 1.791 0.717 16.589 1.00 15.15 C ATOM 1009 NH1 ARG A 65 2.667 1.393 15.856 1.00 62.23 N ATOM 1010 NH2 ARG A 65 2.052 0.536 17.876 1.00 63.23 N ATOM 0 H ARG A 65 -3.384 0.657 13.646 1.00 61.23 H new ATOM 0 HA ARG A 65 -2.090 0.137 11.061 1.00 23.31 H new ATOM 0 HB2 ARG A 65 0.158 0.455 12.042 1.00 65.41 H new ATOM 0 HB3 ARG A 65 -0.755 1.951 12.013 1.00 65.41 H new ATOM 0 HG2 ARG A 65 0.326 2.075 14.062 1.00 23.45 H new ATOM 0 HG3 ARG A 65 -1.252 1.469 14.525 1.00 23.45 H new ATOM 0 HD2 ARG A 65 -0.345 -0.852 14.586 1.00 62.43 H new ATOM 0 HD3 ARG A 65 1.233 -0.248 14.120 1.00 62.43 H new ATOM 0 HE ARG A 65 -0.057 -0.046 16.754 1.00 70.11 H new ATOM 0 HH11 ARG A 65 2.489 1.549 14.864 1.00 62.23 H new ATOM 0 HH12 ARG A 65 3.518 1.756 16.285 1.00 62.23 H new ATOM 0 HH21 ARG A 65 1.394 0.023 18.463 1.00 63.23 H new ATOM 0 HH22 ARG A 65 2.911 0.910 18.280 1.00 63.23 H new ATOM 1024 N PRO A 66 -2.971 -2.122 12.330 1.00 65.42 N ATOM 1025 CA PRO A 66 -2.873 -3.576 12.393 1.00 64.00 C ATOM 1026 C PRO A 66 -2.244 -4.102 11.104 1.00 24.11 C ATOM 1027 O PRO A 66 -1.216 -4.789 11.156 1.00 15.35 O ATOM 1028 CB PRO A 66 -4.295 -4.096 12.619 1.00 74.42 C ATOM 1029 CG PRO A 66 -5.187 -2.973 12.094 1.00 3.14 C ATOM 1030 CD PRO A 66 -4.363 -1.724 12.352 1.00 21.03 C ATOM 0 HA PRO A 66 -2.232 -3.919 13.205 1.00 64.00 H new ATOM 0 HB2 PRO A 66 -4.469 -5.028 12.082 1.00 74.42 H new ATOM 0 HB3 PRO A 66 -4.484 -4.296 13.674 1.00 74.42 H new ATOM 0 HG2 PRO A 66 -5.408 -3.097 11.034 1.00 3.14 H new ATOM 0 HG3 PRO A 66 -6.143 -2.940 12.617 1.00 3.14 H new ATOM 0 HD2 PRO A 66 -4.560 -0.968 11.591 1.00 21.03 H new ATOM 0 HD3 PRO A 66 -4.623 -1.283 13.314 1.00 21.03 H new ATOM 1038 N ALA A 67 -2.823 -3.753 9.948 1.00 32.54 N ATOM 1039 CA ALA A 67 -2.418 -4.281 8.646 1.00 41.24 C ATOM 1040 C ALA A 67 -0.968 -3.959 8.297 1.00 53.20 C ATOM 1041 O ALA A 67 -0.376 -4.647 7.475 1.00 2.43 O ATOM 1042 CB ALA A 67 -3.336 -3.755 7.545 1.00 52.20 C ATOM 0 H ALA A 67 -3.595 -3.088 9.894 1.00 32.54 H new ATOM 0 HA ALA A 67 -2.503 -5.365 8.716 1.00 41.24 H new ATOM 0 HB1 ALA A 67 -3.019 -4.159 6.583 1.00 52.20 H new ATOM 0 HB2 ALA A 67 -4.361 -4.064 7.748 1.00 52.20 H new ATOM 0 HB3 ALA A 67 -3.284 -2.667 7.517 1.00 52.20 H new ATOM 1048 N THR A 68 -0.366 -2.964 8.938 1.00 45.23 N ATOM 1049 CA THR A 68 1.050 -2.653 8.840 1.00 61.21 C ATOM 1050 C THR A 68 1.924 -3.894 9.094 1.00 42.41 C ATOM 1051 O THR A 68 2.835 -4.151 8.304 1.00 72.23 O ATOM 1052 CB THR A 68 1.316 -1.483 9.792 1.00 3.14 C ATOM 1053 OG1 THR A 68 0.583 -0.371 9.318 1.00 54.12 O ATOM 1054 CG2 THR A 68 2.783 -1.088 9.860 1.00 43.43 C ATOM 0 H THR A 68 -0.870 -2.332 9.560 1.00 45.23 H new ATOM 0 HA THR A 68 1.325 -2.350 7.830 1.00 61.21 H new ATOM 0 HB THR A 68 1.017 -1.793 10.793 1.00 3.14 H new ATOM 0 HG1 THR A 68 0.732 0.396 9.910 1.00 54.12 H new ATOM 0 HG21 THR A 68 2.904 -0.254 10.551 1.00 43.43 H new ATOM 0 HG22 THR A 68 3.372 -1.936 10.208 1.00 43.43 H new ATOM 0 HG23 THR A 68 3.126 -0.790 8.869 1.00 43.43 H new ATOM 1062 N VAL A 69 1.610 -4.718 10.102 1.00 32.11 N ATOM 1063 CA VAL A 69 2.307 -5.987 10.338 1.00 5.44 C ATOM 1064 C VAL A 69 2.180 -6.883 9.104 1.00 73.44 C ATOM 1065 O VAL A 69 3.126 -7.537 8.665 1.00 41.30 O ATOM 1066 CB VAL A 69 1.692 -6.689 11.569 1.00 51.34 C ATOM 1067 CG1 VAL A 69 2.382 -8.033 11.860 1.00 12.54 C ATOM 1068 CG2 VAL A 69 1.747 -5.811 12.831 1.00 42.33 C ATOM 0 H VAL A 69 0.868 -4.524 10.774 1.00 32.11 H new ATOM 0 HA VAL A 69 3.363 -5.794 10.526 1.00 5.44 H new ATOM 0 HB VAL A 69 0.647 -6.869 11.317 1.00 51.34 H new ATOM 0 HG11 VAL A 69 1.922 -8.497 12.733 1.00 12.54 H new ATOM 0 HG12 VAL A 69 2.273 -8.692 10.999 1.00 12.54 H new ATOM 0 HG13 VAL A 69 3.441 -7.864 12.055 1.00 12.54 H new ATOM 0 HG21 VAL A 69 1.303 -6.349 13.668 1.00 42.33 H new ATOM 0 HG22 VAL A 69 2.785 -5.572 13.063 1.00 42.33 H new ATOM 0 HG23 VAL A 69 1.192 -4.889 12.657 1.00 42.33 H new ATOM 1078 N LYS A 70 0.978 -6.933 8.539 1.00 22.40 N ATOM 1079 CA LYS A 70 0.663 -7.813 7.435 1.00 31.35 C ATOM 1080 C LYS A 70 1.339 -7.340 6.146 1.00 72.11 C ATOM 1081 O LYS A 70 1.733 -8.174 5.333 1.00 34.14 O ATOM 1082 CB LYS A 70 -0.868 -7.913 7.354 1.00 41.24 C ATOM 1083 CG LYS A 70 -1.307 -9.276 6.816 1.00 33.42 C ATOM 1084 CD LYS A 70 -2.681 -9.669 7.386 1.00 34.41 C ATOM 1085 CE LYS A 70 -2.981 -11.160 7.225 1.00 54.14 C ATOM 1086 NZ LYS A 70 -1.988 -12.035 7.886 1.00 34.42 N ATOM 0 H LYS A 70 0.193 -6.356 8.842 1.00 22.40 H new ATOM 0 HA LYS A 70 1.060 -8.816 7.590 1.00 31.35 H new ATOM 0 HB2 LYS A 70 -1.298 -7.754 8.343 1.00 41.24 H new ATOM 0 HB3 LYS A 70 -1.253 -7.123 6.708 1.00 41.24 H new ATOM 0 HG2 LYS A 70 -1.355 -9.245 5.728 1.00 33.42 H new ATOM 0 HG3 LYS A 70 -0.568 -10.032 7.081 1.00 33.42 H new ATOM 0 HD2 LYS A 70 -2.720 -9.407 8.443 1.00 34.41 H new ATOM 0 HD3 LYS A 70 -3.457 -9.090 6.885 1.00 34.41 H new ATOM 0 HE2 LYS A 70 -3.969 -11.370 7.635 1.00 54.14 H new ATOM 0 HE3 LYS A 70 -3.018 -11.403 6.163 1.00 54.14 H new ATOM 0 HZ1 LYS A 70 -2.396 -12.982 8.023 1.00 34.42 H new ATOM 0 HZ2 LYS A 70 -1.138 -12.107 7.291 1.00 34.42 H new ATOM 0 HZ3 LYS A 70 -1.730 -11.632 8.810 1.00 34.42 H new ATOM 1100 N LEU A 71 1.579 -6.032 5.991 1.00 43.41 N ATOM 1101 CA LEU A 71 2.423 -5.504 4.925 1.00 53.54 C ATOM 1102 C LEU A 71 3.844 -6.027 5.089 1.00 32.21 C ATOM 1103 O LEU A 71 4.446 -6.386 4.089 1.00 72.45 O ATOM 1104 CB LEU A 71 2.480 -3.963 4.897 1.00 60.43 C ATOM 1105 CG LEU A 71 1.175 -3.214 4.631 1.00 61.40 C ATOM 1106 CD1 LEU A 71 1.483 -1.712 4.694 1.00 12.41 C ATOM 1107 CD2 LEU A 71 0.479 -3.521 3.307 1.00 63.22 C ATOM 0 H LEU A 71 1.191 -5.315 6.604 1.00 43.41 H new ATOM 0 HA LEU A 71 1.976 -5.839 3.989 1.00 53.54 H new ATOM 0 HB2 LEU A 71 2.874 -3.623 5.855 1.00 60.43 H new ATOM 0 HB3 LEU A 71 3.200 -3.667 4.134 1.00 60.43 H new ATOM 0 HG LEU A 71 0.474 -3.551 5.394 1.00 61.40 H new ATOM 0 HD11 LEU A 71 0.571 -1.145 4.508 1.00 12.41 H new ATOM 0 HD12 LEU A 71 1.871 -1.461 5.681 1.00 12.41 H new ATOM 0 HD13 LEU A 71 2.227 -1.461 3.938 1.00 12.41 H new ATOM 0 HD21 LEU A 71 -0.434 -2.931 3.231 1.00 63.22 H new ATOM 0 HD22 LEU A 71 1.143 -3.270 2.480 1.00 63.22 H new ATOM 0 HD23 LEU A 71 0.231 -4.581 3.264 1.00 63.22 H new ATOM 1119 N THR A 72 4.402 -6.072 6.305 1.00 65.40 N ATOM 1120 CA THR A 72 5.788 -6.478 6.532 1.00 41.23 C ATOM 1121 C THR A 72 6.063 -7.861 5.953 1.00 51.15 C ATOM 1122 O THR A 72 7.152 -8.101 5.437 1.00 74.15 O ATOM 1123 CB THR A 72 6.090 -6.446 8.033 1.00 5.52 C ATOM 1124 OG1 THR A 72 5.868 -5.145 8.526 1.00 33.23 O ATOM 1125 CG2 THR A 72 7.519 -6.867 8.341 1.00 33.15 C ATOM 0 H THR A 72 3.901 -5.827 7.159 1.00 65.40 H new ATOM 0 HA THR A 72 6.446 -5.776 6.019 1.00 41.23 H new ATOM 0 HB THR A 72 5.424 -7.159 8.520 1.00 5.52 H new ATOM 0 HG1 THR A 72 6.059 -5.122 9.487 1.00 33.23 H new ATOM 0 HG21 THR A 72 7.686 -6.828 9.417 1.00 33.15 H new ATOM 0 HG22 THR A 72 7.684 -7.884 7.985 1.00 33.15 H new ATOM 0 HG23 THR A 72 8.213 -6.191 7.842 1.00 33.15 H new ATOM 1133 N ARG A 73 5.063 -8.744 5.988 1.00 42.35 N ATOM 1134 CA ARG A 73 5.132 -10.056 5.363 1.00 50.33 C ATOM 1135 C ARG A 73 5.668 -9.950 3.938 1.00 2.13 C ATOM 1136 O ARG A 73 6.659 -10.601 3.612 1.00 61.44 O ATOM 1137 CB ARG A 73 3.792 -10.775 5.403 1.00 74.01 C ATOM 1138 CG ARG A 73 3.282 -10.933 6.840 1.00 53.32 C ATOM 1139 CD ARG A 73 4.263 -11.494 7.872 1.00 45.42 C ATOM 1140 NE ARG A 73 4.898 -12.743 7.407 1.00 22.51 N ATOM 1141 CZ ARG A 73 6.082 -13.219 7.814 1.00 42.52 C ATOM 1142 NH1 ARG A 73 6.772 -12.583 8.754 1.00 43.55 N ATOM 1143 NH2 ARG A 73 6.600 -14.318 7.275 1.00 53.30 N ATOM 0 H ARG A 73 4.176 -8.562 6.457 1.00 42.35 H new ATOM 0 HA ARG A 73 5.831 -10.660 5.942 1.00 50.33 H new ATOM 0 HB2 ARG A 73 3.062 -10.218 4.816 1.00 74.01 H new ATOM 0 HB3 ARG A 73 3.891 -11.757 4.941 1.00 74.01 H new ATOM 0 HG2 ARG A 73 2.946 -9.956 7.189 1.00 53.32 H new ATOM 0 HG3 ARG A 73 2.406 -11.582 6.818 1.00 53.32 H new ATOM 0 HD2 ARG A 73 5.033 -10.752 8.082 1.00 45.42 H new ATOM 0 HD3 ARG A 73 3.737 -11.681 8.808 1.00 45.42 H new ATOM 0 HE ARG A 73 4.390 -13.292 6.714 1.00 22.51 H new ATOM 0 HH11 ARG A 73 6.401 -11.728 9.169 1.00 43.55 H new ATOM 0 HH12 ARG A 73 7.673 -12.949 9.061 1.00 43.55 H new ATOM 0 HH21 ARG A 73 6.095 -14.812 6.540 1.00 53.30 H new ATOM 0 HH22 ARG A 73 7.503 -14.667 7.597 1.00 53.30 H new ATOM 1157 N SER A 74 5.025 -9.106 3.134 1.00 1.10 N ATOM 1158 CA SER A 74 5.322 -8.831 1.737 1.00 63.54 C ATOM 1159 C SER A 74 6.614 -8.025 1.510 1.00 3.02 C ATOM 1160 O SER A 74 6.939 -7.742 0.357 1.00 45.34 O ATOM 1161 CB SER A 74 4.129 -8.066 1.153 1.00 55.23 C ATOM 1162 OG SER A 74 2.902 -8.745 1.374 1.00 42.22 O ATOM 0 H SER A 74 4.230 -8.561 3.467 1.00 1.10 H new ATOM 0 HA SER A 74 5.487 -9.788 1.241 1.00 63.54 H new ATOM 0 HB2 SER A 74 4.080 -7.074 1.601 1.00 55.23 H new ATOM 0 HB3 SER A 74 4.278 -7.925 0.082 1.00 55.23 H new ATOM 0 HG SER A 74 2.229 -8.419 0.741 1.00 42.22 H new ATOM 1168 N ILE A 75 7.349 -7.637 2.561 1.00 0.11 N ATOM 1169 CA ILE A 75 8.528 -6.779 2.495 1.00 2.44 C ATOM 1170 C ILE A 75 9.728 -7.627 2.959 1.00 3.44 C ATOM 1171 O ILE A 75 10.102 -7.562 4.140 1.00 42.51 O ATOM 1172 CB ILE A 75 8.286 -5.492 3.321 1.00 22.11 C ATOM 1173 CG1 ILE A 75 7.032 -4.728 2.839 1.00 42.34 C ATOM 1174 CG2 ILE A 75 9.478 -4.531 3.210 1.00 74.04 C ATOM 1175 CD1 ILE A 75 6.650 -3.597 3.795 1.00 65.44 C ATOM 0 H ILE A 75 7.126 -7.926 3.514 1.00 0.11 H new ATOM 0 HA ILE A 75 8.741 -6.427 1.486 1.00 2.44 H new ATOM 0 HB ILE A 75 8.150 -5.817 4.352 1.00 22.11 H new ATOM 0 HG12 ILE A 75 7.216 -4.317 1.846 1.00 42.34 H new ATOM 0 HG13 ILE A 75 6.197 -5.423 2.747 1.00 42.34 H new ATOM 0 HG21 ILE A 75 9.280 -3.636 3.800 1.00 74.04 H new ATOM 0 HG22 ILE A 75 10.377 -5.021 3.585 1.00 74.04 H new ATOM 0 HG23 ILE A 75 9.625 -4.252 2.166 1.00 74.04 H new ATOM 0 HD11 ILE A 75 5.764 -3.086 3.419 1.00 65.44 H new ATOM 0 HD12 ILE A 75 6.439 -4.010 4.781 1.00 65.44 H new ATOM 0 HD13 ILE A 75 7.474 -2.888 3.867 1.00 65.44 H new ATOM 1187 N PRO A 76 10.309 -8.438 2.055 1.00 71.40 N ATOM 1188 CA PRO A 76 11.419 -9.327 2.366 1.00 54.44 C ATOM 1189 C PRO A 76 12.715 -8.538 2.595 1.00 34.35 C ATOM 1190 O PRO A 76 12.787 -7.338 2.320 1.00 61.43 O ATOM 1191 CB PRO A 76 11.496 -10.261 1.146 1.00 30.44 C ATOM 1192 CG PRO A 76 11.095 -9.350 0.008 1.00 44.43 C ATOM 1193 CD PRO A 76 9.930 -8.605 0.654 1.00 2.24 C ATOM 0 HA PRO A 76 11.276 -9.886 3.291 1.00 54.44 H new ATOM 0 HB2 PRO A 76 12.499 -10.665 1.008 1.00 30.44 H new ATOM 0 HB3 PRO A 76 10.820 -11.111 1.243 1.00 30.44 H new ATOM 0 HG2 PRO A 76 11.901 -8.681 -0.292 1.00 44.43 H new ATOM 0 HG3 PRO A 76 10.793 -9.904 -0.881 1.00 44.43 H new ATOM 0 HD2 PRO A 76 9.765 -7.641 0.174 1.00 2.24 H new ATOM 0 HD3 PRO A 76 9.002 -9.170 0.562 1.00 2.24 H new ATOM 1201 N ALA A 77 13.774 -9.231 3.024 1.00 50.01 N ATOM 1202 CA ALA A 77 15.090 -8.663 3.318 1.00 24.53 C ATOM 1203 C ALA A 77 15.696 -7.827 2.171 1.00 52.42 C ATOM 1204 O ALA A 77 16.292 -6.788 2.469 1.00 52.20 O ATOM 1205 CB ALA A 77 16.032 -9.796 3.739 1.00 62.25 C ATOM 0 H ALA A 77 13.736 -10.238 3.181 1.00 50.01 H new ATOM 0 HA ALA A 77 14.959 -7.950 4.132 1.00 24.53 H new ATOM 0 HB1 ALA A 77 17.017 -9.386 3.961 1.00 62.25 H new ATOM 0 HB2 ALA A 77 15.635 -10.288 4.627 1.00 62.25 H new ATOM 0 HB3 ALA A 77 16.115 -10.520 2.929 1.00 62.25 H new ATOM 1211 N PRO A 78 15.577 -8.215 0.889 1.00 5.41 N ATOM 1212 CA PRO A 78 16.038 -7.380 -0.213 1.00 71.01 C ATOM 1213 C PRO A 78 15.160 -6.153 -0.498 1.00 50.41 C ATOM 1214 O PRO A 78 15.671 -5.239 -1.137 1.00 41.44 O ATOM 1215 CB PRO A 78 16.095 -8.312 -1.434 1.00 51.51 C ATOM 1216 CG PRO A 78 15.109 -9.422 -1.077 1.00 44.24 C ATOM 1217 CD PRO A 78 15.327 -9.563 0.414 1.00 51.22 C ATOM 0 HA PRO A 78 17.006 -6.948 0.042 1.00 71.01 H new ATOM 0 HB2 PRO A 78 15.804 -7.795 -2.348 1.00 51.51 H new ATOM 0 HB3 PRO A 78 17.100 -8.703 -1.595 1.00 51.51 H new ATOM 0 HG2 PRO A 78 14.081 -9.148 -1.316 1.00 44.24 H new ATOM 0 HG3 PRO A 78 15.325 -10.348 -1.611 1.00 44.24 H new ATOM 0 HD2 PRO A 78 14.453 -9.997 0.901 1.00 51.22 H new ATOM 0 HD3 PRO A 78 16.170 -10.219 0.629 1.00 51.22 H new ATOM 1225 N TYR A 79 13.904 -6.058 -0.038 1.00 74.41 N ATOM 1226 CA TYR A 79 12.941 -5.034 -0.463 1.00 72.32 C ATOM 1227 C TYR A 79 12.575 -4.075 0.659 1.00 13.45 C ATOM 1228 O TYR A 79 11.438 -3.615 0.773 1.00 24.41 O ATOM 1229 CB TYR A 79 11.739 -5.630 -1.194 1.00 55.53 C ATOM 1230 CG TYR A 79 12.095 -6.528 -2.344 1.00 63.12 C ATOM 1231 CD1 TYR A 79 13.204 -6.220 -3.147 1.00 53.43 C ATOM 1232 CD2 TYR A 79 11.296 -7.636 -2.663 1.00 71.30 C ATOM 1233 CE1 TYR A 79 13.516 -7.001 -4.248 1.00 34.33 C ATOM 1234 CE2 TYR A 79 11.590 -8.412 -3.792 1.00 30.05 C ATOM 1235 CZ TYR A 79 12.717 -8.112 -4.585 1.00 61.41 C ATOM 1236 OH TYR A 79 12.975 -8.891 -5.665 1.00 52.12 O ATOM 0 H TYR A 79 13.523 -6.704 0.653 1.00 74.41 H new ATOM 0 HA TYR A 79 13.444 -4.415 -1.206 1.00 72.32 H new ATOM 0 HB2 TYR A 79 11.139 -6.194 -0.481 1.00 55.53 H new ATOM 0 HB3 TYR A 79 11.114 -4.817 -1.564 1.00 55.53 H new ATOM 0 HD1 TYR A 79 13.820 -5.367 -2.905 1.00 53.43 H new ATOM 0 HD2 TYR A 79 10.453 -7.891 -2.038 1.00 71.30 H new ATOM 0 HE1 TYR A 79 14.377 -6.757 -4.852 1.00 34.33 H new ATOM 0 HE2 TYR A 79 10.952 -9.242 -4.056 1.00 30.05 H new ATOM 0 HH TYR A 79 12.306 -9.605 -5.720 1.00 52.12 H new ATOM 1246 N LYS A 80 13.542 -3.740 1.505 1.00 64.43 N ATOM 1247 CA LYS A 80 13.314 -2.848 2.642 1.00 23.43 C ATOM 1248 C LYS A 80 13.348 -1.367 2.244 1.00 72.41 C ATOM 1249 O LYS A 80 12.889 -0.533 3.024 1.00 33.45 O ATOM 1250 CB LYS A 80 14.358 -3.137 3.742 1.00 1.44 C ATOM 1251 CG LYS A 80 14.346 -4.585 4.260 1.00 14.10 C ATOM 1252 CD LYS A 80 12.966 -5.031 4.754 1.00 52.22 C ATOM 1253 CE LYS A 80 13.050 -6.015 5.921 1.00 14.12 C ATOM 1254 NZ LYS A 80 12.972 -5.306 7.213 1.00 25.40 N ATOM 0 H LYS A 80 14.502 -4.075 1.426 1.00 64.43 H new ATOM 0 HA LYS A 80 12.312 -3.046 3.022 1.00 23.43 H new ATOM 0 HB2 LYS A 80 15.351 -2.911 3.353 1.00 1.44 H new ATOM 0 HB3 LYS A 80 14.182 -2.462 4.580 1.00 1.44 H new ATOM 0 HG2 LYS A 80 14.674 -5.253 3.464 1.00 14.10 H new ATOM 0 HG3 LYS A 80 15.066 -4.680 5.073 1.00 14.10 H new ATOM 0 HD2 LYS A 80 12.394 -4.156 5.062 1.00 52.22 H new ATOM 0 HD3 LYS A 80 12.422 -5.494 3.931 1.00 52.22 H new ATOM 0 HE2 LYS A 80 12.239 -6.740 5.850 1.00 14.12 H new ATOM 0 HE3 LYS A 80 13.984 -6.574 5.864 1.00 14.12 H new ATOM 0 HZ1 LYS A 80 13.031 -5.994 7.991 1.00 25.40 H new ATOM 0 HZ2 LYS A 80 13.760 -4.631 7.287 1.00 25.40 H new ATOM 0 HZ3 LYS A 80 12.070 -4.792 7.273 1.00 25.40 H new ATOM 1268 N GLN A 81 13.889 -1.006 1.073 1.00 24.23 N ATOM 1269 CA GLN A 81 14.325 0.369 0.803 1.00 33.05 C ATOM 1270 C GLN A 81 13.929 0.819 -0.609 1.00 33.11 C ATOM 1271 O GLN A 81 14.575 1.693 -1.184 1.00 33.21 O ATOM 1272 CB GLN A 81 15.844 0.511 1.074 1.00 23.50 C ATOM 1273 CG GLN A 81 16.236 -0.063 2.448 1.00 3.52 C ATOM 1274 CD GLN A 81 17.605 0.374 2.959 1.00 33.53 C ATOM 1275 OE1 GLN A 81 17.721 1.324 3.733 1.00 73.31 O ATOM 1276 NE2 GLN A 81 18.651 -0.358 2.624 1.00 54.41 N ATOM 0 H GLN A 81 14.035 -1.650 0.296 1.00 24.23 H new ATOM 0 HA GLN A 81 13.807 1.041 1.487 1.00 33.05 H new ATOM 0 HB2 GLN A 81 16.402 -0.004 0.292 1.00 23.50 H new ATOM 0 HB3 GLN A 81 16.125 1.563 1.026 1.00 23.50 H new ATOM 0 HG2 GLN A 81 15.481 0.231 3.177 1.00 3.52 H new ATOM 0 HG3 GLN A 81 16.216 -1.151 2.390 1.00 3.52 H new ATOM 0 HE21 GLN A 81 18.540 -1.142 1.981 1.00 54.41 H new ATOM 0 HE22 GLN A 81 19.570 -0.139 3.008 1.00 54.41 H new ATOM 1285 N LEU A 82 12.889 0.218 -1.193 1.00 70.44 N ATOM 1286 CA LEU A 82 12.463 0.444 -2.571 1.00 35.03 C ATOM 1287 C LEU A 82 12.093 1.894 -2.851 1.00 51.50 C ATOM 1288 O LEU A 82 12.239 2.350 -3.987 1.00 14.01 O ATOM 1289 CB LEU A 82 11.253 -0.428 -2.893 1.00 35.21 C ATOM 1290 CG LEU A 82 11.525 -1.905 -3.199 1.00 3.53 C ATOM 1291 CD1 LEU A 82 12.063 -2.141 -4.595 1.00 43.44 C ATOM 1292 CD2 LEU A 82 12.504 -2.602 -2.339 1.00 34.14 C ATOM 0 H LEU A 82 12.305 -0.459 -0.703 1.00 70.44 H new ATOM 0 HA LEU A 82 13.315 0.185 -3.199 1.00 35.03 H new ATOM 0 HB2 LEU A 82 10.564 -0.377 -2.050 1.00 35.21 H new ATOM 0 HB3 LEU A 82 10.740 0.007 -3.750 1.00 35.21 H new ATOM 0 HG LEU A 82 10.525 -2.305 -3.032 1.00 3.53 H new ATOM 0 HD11 LEU A 82 12.233 -3.207 -4.744 1.00 43.44 H new ATOM 0 HD12 LEU A 82 11.341 -1.783 -5.329 1.00 43.44 H new ATOM 0 HD13 LEU A 82 13.003 -1.603 -4.718 1.00 43.44 H new ATOM 0 HD21 LEU A 82 12.601 -3.638 -2.664 1.00 34.14 H new ATOM 0 HD22 LEU A 82 13.472 -2.106 -2.413 1.00 34.14 H new ATOM 0 HD23 LEU A 82 12.162 -2.577 -1.304 1.00 34.14 H new ATOM 1304 N LEU A 83 11.644 2.611 -1.814 1.00 75.02 N ATOM 1305 CA LEU A 83 11.411 4.049 -1.880 1.00 75.22 C ATOM 1306 C LEU A 83 12.633 4.810 -2.388 1.00 42.55 C ATOM 1307 O LEU A 83 12.492 5.914 -2.911 1.00 51.21 O ATOM 1308 CB LEU A 83 11.034 4.581 -0.494 1.00 3.31 C ATOM 1309 CG LEU A 83 9.635 4.159 -0.033 1.00 22.20 C ATOM 1310 CD1 LEU A 83 9.438 4.550 1.431 1.00 71.31 C ATOM 1311 CD2 LEU A 83 8.533 4.813 -0.868 1.00 35.30 C ATOM 0 H LEU A 83 11.433 2.203 -0.903 1.00 75.02 H new ATOM 0 HA LEU A 83 10.595 4.209 -2.585 1.00 75.22 H new ATOM 0 HB2 LEU A 83 11.767 4.230 0.232 1.00 3.31 H new ATOM 0 HB3 LEU A 83 11.091 5.669 -0.504 1.00 3.31 H new ATOM 0 HG LEU A 83 9.563 3.079 -0.158 1.00 22.20 H new ATOM 0 HD11 LEU A 83 8.442 4.249 1.757 1.00 71.31 H new ATOM 0 HD12 LEU A 83 10.187 4.051 2.045 1.00 71.31 H new ATOM 0 HD13 LEU A 83 9.543 5.630 1.537 1.00 71.31 H new ATOM 0 HD21 LEU A 83 7.559 4.485 -0.506 1.00 35.30 H new ATOM 0 HD22 LEU A 83 8.606 5.897 -0.782 1.00 35.30 H new ATOM 0 HD23 LEU A 83 8.648 4.524 -1.913 1.00 35.30 H new ATOM 1323 N LYS A 84 13.824 4.230 -2.265 1.00 20.21 N ATOM 1324 CA LYS A 84 15.066 4.808 -2.730 1.00 61.33 C ATOM 1325 C LYS A 84 15.661 4.004 -3.873 1.00 54.21 C ATOM 1326 O LYS A 84 16.233 4.607 -4.774 1.00 24.44 O ATOM 1327 CB LYS A 84 16.006 4.916 -1.537 1.00 63.41 C ATOM 1328 CG LYS A 84 17.334 5.543 -1.943 1.00 23.43 C ATOM 1329 CD LYS A 84 17.968 6.297 -0.769 1.00 13.11 C ATOM 1330 CE LYS A 84 18.478 5.282 0.260 1.00 10.53 C ATOM 1331 NZ LYS A 84 19.488 5.876 1.150 1.00 72.14 N ATOM 0 H LYS A 84 13.947 3.318 -1.825 1.00 20.21 H new ATOM 0 HA LYS A 84 14.891 5.803 -3.139 1.00 61.33 H new ATOM 0 HB2 LYS A 84 15.540 5.516 -0.756 1.00 63.41 H new ATOM 0 HB3 LYS A 84 16.181 3.926 -1.116 1.00 63.41 H new ATOM 0 HG2 LYS A 84 18.015 4.767 -2.291 1.00 23.43 H new ATOM 0 HG3 LYS A 84 17.177 6.227 -2.777 1.00 23.43 H new ATOM 0 HD2 LYS A 84 18.790 6.920 -1.122 1.00 13.11 H new ATOM 0 HD3 LYS A 84 17.237 6.963 -0.310 1.00 13.11 H new ATOM 0 HE2 LYS A 84 17.642 4.912 0.853 1.00 10.53 H new ATOM 0 HE3 LYS A 84 18.907 4.423 -0.256 1.00 10.53 H new ATOM 0 HZ1 LYS A 84 19.811 5.162 1.834 1.00 72.14 H new ATOM 0 HZ2 LYS A 84 20.297 6.206 0.586 1.00 72.14 H new ATOM 0 HZ3 LYS A 84 19.071 6.680 1.661 1.00 72.14 H new ATOM 1345 N GLU A 85 15.497 2.682 -3.860 1.00 44.40 N ATOM 1346 CA GLU A 85 15.954 1.830 -4.955 1.00 61.55 C ATOM 1347 C GLU A 85 15.435 2.328 -6.305 1.00 24.41 C ATOM 1348 O GLU A 85 16.195 2.297 -7.271 1.00 31.33 O ATOM 1349 CB GLU A 85 15.607 0.332 -4.808 1.00 4.22 C ATOM 1350 CG GLU A 85 16.143 -0.361 -3.545 1.00 3.24 C ATOM 1351 CD GLU A 85 16.405 -1.866 -3.734 1.00 25.02 C ATOM 1352 OE1 GLU A 85 15.447 -2.622 -4.016 1.00 53.52 O ATOM 1353 OE2 GLU A 85 17.574 -2.296 -3.577 1.00 75.21 O ATOM 0 H GLU A 85 15.048 2.176 -3.097 1.00 44.40 H new ATOM 0 HA GLU A 85 17.040 1.906 -4.908 1.00 61.55 H new ATOM 0 HB2 GLU A 85 14.522 0.227 -4.824 1.00 4.22 H new ATOM 0 HB3 GLU A 85 15.991 -0.197 -5.680 1.00 4.22 H new ATOM 0 HG2 GLU A 85 17.069 0.125 -3.239 1.00 3.24 H new ATOM 0 HG3 GLU A 85 15.428 -0.224 -2.734 1.00 3.24 H new ATOM 1360 N GLU A 86 14.177 2.777 -6.382 1.00 74.11 N ATOM 1361 CA GLU A 86 13.571 3.174 -7.652 1.00 71.04 C ATOM 1362 C GLU A 86 13.254 4.664 -7.696 1.00 21.43 C ATOM 1363 O GLU A 86 13.576 5.332 -8.681 1.00 64.21 O ATOM 1364 CB GLU A 86 12.306 2.341 -7.935 1.00 22.44 C ATOM 1365 CG GLU A 86 12.519 0.821 -7.856 1.00 60.45 C ATOM 1366 CD GLU A 86 13.784 0.361 -8.592 1.00 73.14 C ATOM 1367 OE1 GLU A 86 14.049 0.806 -9.733 1.00 54.33 O ATOM 1368 OE2 GLU A 86 14.541 -0.442 -8.010 1.00 1.11 O ATOM 0 H GLU A 86 13.560 2.874 -5.576 1.00 74.11 H new ATOM 0 HA GLU A 86 14.304 2.977 -8.434 1.00 71.04 H new ATOM 0 HB2 GLU A 86 11.531 2.625 -7.223 1.00 22.44 H new ATOM 0 HB3 GLU A 86 11.934 2.593 -8.928 1.00 22.44 H new ATOM 0 HG2 GLU A 86 12.583 0.521 -6.810 1.00 60.45 H new ATOM 0 HG3 GLU A 86 11.652 0.314 -8.280 1.00 60.45 H new ATOM 1375 N LEU A 87 12.556 5.167 -6.673 1.00 11.34 N ATOM 1376 CA LEU A 87 11.971 6.506 -6.711 1.00 11.11 C ATOM 1377 C LEU A 87 13.015 7.557 -6.356 1.00 43.42 C ATOM 1378 O LEU A 87 13.111 8.575 -7.041 1.00 40.15 O ATOM 1379 CB LEU A 87 10.765 6.634 -5.762 1.00 25.23 C ATOM 1380 CG LEU A 87 9.684 5.553 -5.894 1.00 51.41 C ATOM 1381 CD1 LEU A 87 8.612 5.711 -4.813 1.00 64.11 C ATOM 1382 CD2 LEU A 87 9.004 5.632 -7.250 1.00 72.13 C ATOM 0 H LEU A 87 12.383 4.661 -5.804 1.00 11.34 H new ATOM 0 HA LEU A 87 11.619 6.672 -7.729 1.00 11.11 H new ATOM 0 HB2 LEU A 87 11.133 6.627 -4.736 1.00 25.23 H new ATOM 0 HB3 LEU A 87 10.300 7.606 -5.927 1.00 25.23 H new ATOM 0 HG LEU A 87 10.181 4.590 -5.781 1.00 51.41 H new ATOM 0 HD11 LEU A 87 7.859 4.932 -4.931 1.00 64.11 H new ATOM 0 HD12 LEU A 87 9.072 5.625 -3.829 1.00 64.11 H new ATOM 0 HD13 LEU A 87 8.140 6.689 -4.909 1.00 64.11 H new ATOM 0 HD21 LEU A 87 8.242 4.856 -7.320 1.00 72.13 H new ATOM 0 HD22 LEU A 87 8.538 6.610 -7.367 1.00 72.13 H new ATOM 0 HD23 LEU A 87 9.744 5.486 -8.037 1.00 72.13 H new ATOM 1394 N GLY A 88 13.736 7.339 -5.253 1.00 61.10 N ATOM 1395 CA GLY A 88 14.728 8.263 -4.723 1.00 72.14 C ATOM 1396 C GLY A 88 14.249 9.061 -3.511 1.00 53.51 C ATOM 1397 O GLY A 88 14.833 10.107 -3.221 1.00 52.12 O ATOM 0 H GLY A 88 13.639 6.492 -4.693 1.00 61.10 H new ATOM 0 HA2 GLY A 88 15.621 7.702 -4.446 1.00 72.14 H new ATOM 0 HA3 GLY A 88 15.020 8.958 -5.511 1.00 72.14 H new ATOM 1401 N PHE A 89 13.200 8.630 -2.804 1.00 62.11 N ATOM 1402 CA PHE A 89 12.782 9.240 -1.541 1.00 32.22 C ATOM 1403 C PHE A 89 13.515 8.623 -0.334 1.00 44.44 C ATOM 1404 O PHE A 89 14.160 7.581 -0.442 1.00 24.34 O ATOM 1405 CB PHE A 89 11.262 9.124 -1.399 1.00 25.31 C ATOM 1406 CG PHE A 89 10.667 9.732 -0.142 1.00 64.22 C ATOM 1407 CD1 PHE A 89 10.908 11.086 0.163 1.00 2.33 C ATOM 1408 CD2 PHE A 89 9.880 8.950 0.724 1.00 30.34 C ATOM 1409 CE1 PHE A 89 10.356 11.655 1.321 1.00 51.12 C ATOM 1410 CE2 PHE A 89 9.327 9.523 1.882 1.00 15.43 C ATOM 1411 CZ PHE A 89 9.554 10.878 2.172 1.00 70.33 C ATOM 0 H PHE A 89 12.616 7.846 -3.094 1.00 62.11 H new ATOM 0 HA PHE A 89 13.056 10.295 -1.556 1.00 32.22 H new ATOM 0 HB2 PHE A 89 10.798 9.598 -2.264 1.00 25.31 H new ATOM 0 HB3 PHE A 89 10.993 8.068 -1.432 1.00 25.31 H new ATOM 0 HD1 PHE A 89 11.518 11.687 -0.495 1.00 2.33 H new ATOM 0 HD2 PHE A 89 9.701 7.909 0.499 1.00 30.34 H new ATOM 0 HE1 PHE A 89 10.548 12.691 1.558 1.00 51.12 H new ATOM 0 HE2 PHE A 89 8.727 8.921 2.549 1.00 15.43 H new ATOM 0 HZ PHE A 89 9.111 11.323 3.051 1.00 70.33 H new ATOM 1567 N ARG A 100 -0.685 11.880 8.892 1.00 42.24 N ATOM 1568 CA ARG A 100 -1.358 11.372 7.697 1.00 2.22 C ATOM 1569 C ARG A 100 -0.358 10.878 6.654 1.00 61.34 C ATOM 1570 O ARG A 100 -0.686 9.977 5.887 1.00 51.11 O ATOM 1571 CB ARG A 100 -2.292 12.445 7.110 1.00 54.23 C ATOM 1572 CG ARG A 100 -3.402 12.800 8.113 1.00 3.10 C ATOM 1573 CD ARG A 100 -4.410 13.797 7.545 1.00 15.53 C ATOM 1574 NE ARG A 100 -5.388 14.173 8.576 1.00 54.30 N ATOM 1575 CZ ARG A 100 -6.598 14.700 8.372 1.00 60.22 C ATOM 1576 NH1 ARG A 100 -6.985 15.085 7.164 1.00 53.42 N ATOM 1577 NH2 ARG A 100 -7.435 14.863 9.385 1.00 54.44 N ATOM 0 HA ARG A 100 -1.963 10.514 7.991 1.00 2.22 H new ATOM 0 HB2 ARG A 100 -1.719 13.338 6.862 1.00 54.23 H new ATOM 0 HB3 ARG A 100 -2.734 12.082 6.182 1.00 54.23 H new ATOM 0 HG2 ARG A 100 -3.924 11.890 8.409 1.00 3.10 H new ATOM 0 HG3 ARG A 100 -2.952 13.217 9.014 1.00 3.10 H new ATOM 0 HD2 ARG A 100 -3.891 14.685 7.185 1.00 15.53 H new ATOM 0 HD3 ARG A 100 -4.923 13.359 6.689 1.00 15.53 H new ATOM 0 HE ARG A 100 -5.115 14.015 9.546 1.00 54.30 H new ATOM 0 HH11 ARG A 100 -6.354 14.981 6.369 1.00 53.42 H new ATOM 0 HH12 ARG A 100 -7.913 15.485 7.029 1.00 53.42 H new ATOM 0 HH21 ARG A 100 -7.157 14.586 10.326 1.00 54.44 H new ATOM 0 HH22 ARG A 100 -8.358 15.266 9.224 1.00 54.44 H new ATOM 1591 N LYS A 101 0.864 11.410 6.605 1.00 24.43 N ATOM 1592 CA LYS A 101 1.863 11.026 5.609 1.00 32.30 C ATOM 1593 C LYS A 101 2.765 9.937 6.166 1.00 5.25 C ATOM 1594 O LYS A 101 3.119 9.043 5.410 1.00 31.41 O ATOM 1595 CB LYS A 101 2.680 12.242 5.157 1.00 73.24 C ATOM 1596 CG LYS A 101 2.018 13.036 4.020 1.00 63.25 C ATOM 1597 CD LYS A 101 2.692 14.408 3.811 1.00 1.21 C ATOM 1598 CE LYS A 101 3.184 14.707 2.385 1.00 33.43 C ATOM 1599 NZ LYS A 101 2.105 14.898 1.385 1.00 71.35 N ATOM 0 H LYS A 101 1.189 12.123 7.258 1.00 24.43 H new ATOM 0 HA LYS A 101 1.348 10.631 4.733 1.00 32.30 H new ATOM 0 HB2 LYS A 101 2.834 12.903 6.010 1.00 73.24 H new ATOM 0 HB3 LYS A 101 3.665 11.907 4.831 1.00 73.24 H new ATOM 0 HG2 LYS A 101 2.071 12.460 3.096 1.00 63.25 H new ATOM 0 HG3 LYS A 101 0.961 13.181 4.245 1.00 63.25 H new ATOM 0 HD2 LYS A 101 1.985 15.186 4.101 1.00 1.21 H new ATOM 0 HD3 LYS A 101 3.542 14.480 4.490 1.00 1.21 H new ATOM 0 HE2 LYS A 101 3.802 15.605 2.409 1.00 33.43 H new ATOM 0 HE3 LYS A 101 3.824 13.888 2.057 1.00 33.43 H new ATOM 0 HZ1 LYS A 101 2.390 14.471 0.481 1.00 71.35 H new ATOM 0 HZ2 LYS A 101 1.233 14.442 1.723 1.00 71.35 H new ATOM 0 HZ3 LYS A 101 1.934 15.915 1.249 1.00 71.35 H new ATOM 1613 N THR A 102 3.085 9.941 7.462 1.00 12.20 N ATOM 1614 CA THR A 102 3.948 8.919 8.056 1.00 13.41 C ATOM 1615 C THR A 102 3.390 7.511 7.814 1.00 24.32 C ATOM 1616 O THR A 102 4.087 6.660 7.263 1.00 31.14 O ATOM 1617 CB THR A 102 4.188 9.214 9.546 1.00 40.42 C ATOM 1618 OG1 THR A 102 2.974 9.460 10.226 1.00 55.30 O ATOM 1619 CG2 THR A 102 5.092 10.435 9.738 1.00 52.44 C ATOM 0 H THR A 102 2.757 10.645 8.123 1.00 12.20 H new ATOM 0 HA THR A 102 4.919 8.953 7.562 1.00 13.41 H new ATOM 0 HB THR A 102 4.671 8.328 9.958 1.00 40.42 H new ATOM 0 HG1 THR A 102 3.159 9.642 11.171 1.00 55.30 H new ATOM 0 HG21 THR A 102 5.240 10.614 10.803 1.00 52.44 H new ATOM 0 HG22 THR A 102 6.056 10.252 9.263 1.00 52.44 H new ATOM 0 HG23 THR A 102 4.624 11.309 9.285 1.00 52.44 H new ATOM 1627 N ARG A 103 2.121 7.245 8.151 1.00 43.44 N ATOM 1628 CA ARG A 103 1.538 5.929 7.867 1.00 71.41 C ATOM 1629 C ARG A 103 1.396 5.685 6.359 1.00 74.42 C ATOM 1630 O ARG A 103 1.527 4.543 5.920 1.00 32.34 O ATOM 1631 CB ARG A 103 0.181 5.754 8.563 1.00 51.13 C ATOM 1632 CG ARG A 103 0.219 5.792 10.094 1.00 31.52 C ATOM 1633 CD ARG A 103 -1.211 5.691 10.643 1.00 54.24 C ATOM 1634 NE ARG A 103 -1.214 5.665 12.111 1.00 14.11 N ATOM 1635 CZ ARG A 103 -2.266 5.879 12.908 1.00 64.11 C ATOM 1636 NH1 ARG A 103 -3.458 6.219 12.435 1.00 72.03 N ATOM 1637 NH2 ARG A 103 -2.094 5.762 14.216 1.00 64.41 N ATOM 0 H ARG A 103 1.493 7.905 8.609 1.00 43.44 H new ATOM 0 HA ARG A 103 2.228 5.186 8.267 1.00 71.41 H new ATOM 0 HB2 ARG A 103 -0.491 6.537 8.213 1.00 51.13 H new ATOM 0 HB3 ARG A 103 -0.249 4.802 8.250 1.00 51.13 H new ATOM 0 HG2 ARG A 103 0.825 4.970 10.474 1.00 31.52 H new ATOM 0 HG3 ARG A 103 0.686 6.716 10.434 1.00 31.52 H new ATOM 0 HD2 ARG A 103 -1.800 6.538 10.290 1.00 54.24 H new ATOM 0 HD3 ARG A 103 -1.688 4.789 10.259 1.00 54.24 H new ATOM 0 HE ARG A 103 -0.325 5.464 12.568 1.00 14.11 H new ATOM 0 HH11 ARG A 103 -3.596 6.326 11.430 1.00 72.03 H new ATOM 0 HH12 ARG A 103 -4.236 6.374 13.076 1.00 72.03 H new ATOM 0 HH21 ARG A 103 -1.178 5.515 14.590 1.00 64.41 H new ATOM 0 HH22 ARG A 103 -2.878 5.919 14.850 1.00 64.41 H new ATOM 1651 N ARG A 104 1.151 6.721 5.541 1.00 33.24 N ATOM 1652 CA ARG A 104 1.073 6.542 4.087 1.00 1.24 C ATOM 1653 C ARG A 104 2.433 6.069 3.567 1.00 52.41 C ATOM 1654 O ARG A 104 2.467 5.172 2.733 1.00 64.43 O ATOM 1655 CB ARG A 104 0.562 7.809 3.368 1.00 42.31 C ATOM 1656 CG ARG A 104 -0.968 8.002 3.466 1.00 50.43 C ATOM 1657 CD ARG A 104 -1.458 9.415 3.079 1.00 51.23 C ATOM 1658 NE ARG A 104 -2.016 9.528 1.714 1.00 23.35 N ATOM 1659 CZ ARG A 104 -1.926 10.609 0.919 1.00 64.34 C ATOM 1660 NH1 ARG A 104 -1.308 11.708 1.332 1.00 51.42 N ATOM 1661 NH2 ARG A 104 -2.489 10.589 -0.284 1.00 64.04 N ATOM 0 H ARG A 104 1.005 7.679 5.859 1.00 33.24 H new ATOM 0 HA ARG A 104 0.333 5.774 3.862 1.00 1.24 H new ATOM 0 HB2 ARG A 104 1.058 8.682 3.792 1.00 42.31 H new ATOM 0 HB3 ARG A 104 0.847 7.760 2.317 1.00 42.31 H new ATOM 0 HG2 ARG A 104 -1.456 7.272 2.821 1.00 50.43 H new ATOM 0 HG3 ARG A 104 -1.285 7.788 4.487 1.00 50.43 H new ATOM 0 HD2 ARG A 104 -2.219 9.728 3.794 1.00 51.23 H new ATOM 0 HD3 ARG A 104 -0.625 10.111 3.174 1.00 51.23 H new ATOM 0 HE ARG A 104 -2.511 8.717 1.344 1.00 23.35 H new ATOM 0 HH11 ARG A 104 -0.893 11.741 2.263 1.00 51.42 H new ATOM 0 HH12 ARG A 104 -1.247 12.520 0.718 1.00 51.42 H new ATOM 0 HH21 ARG A 104 -2.986 9.757 -0.601 1.00 64.04 H new ATOM 0 HH22 ARG A 104 -2.424 11.406 -0.891 1.00 64.04 H new ATOM 1675 N ALA A 105 3.550 6.559 4.115 1.00 23.14 N ATOM 1676 CA ALA A 105 4.905 6.164 3.727 1.00 1.21 C ATOM 1677 C ALA A 105 5.077 4.637 3.725 1.00 15.44 C ATOM 1678 O ALA A 105 5.739 4.066 2.853 1.00 72.12 O ATOM 1679 CB ALA A 105 5.909 6.837 4.679 1.00 1.13 C ATOM 0 H ALA A 105 3.535 7.258 4.858 1.00 23.14 H new ATOM 0 HA ALA A 105 5.092 6.496 2.706 1.00 1.21 H new ATOM 0 HB1 ALA A 105 6.923 6.550 4.400 1.00 1.13 H new ATOM 0 HB2 ALA A 105 5.806 7.920 4.610 1.00 1.13 H new ATOM 0 HB3 ALA A 105 5.710 6.518 5.702 1.00 1.13 H new ATOM 1685 N THR A 106 4.442 3.982 4.694 1.00 55.21 N ATOM 1686 CA THR A 106 4.522 2.561 4.950 1.00 71.43 C ATOM 1687 C THR A 106 3.795 1.736 3.875 1.00 71.13 C ATOM 1688 O THR A 106 4.323 0.685 3.496 1.00 31.01 O ATOM 1689 CB THR A 106 3.961 2.350 6.368 1.00 30.35 C ATOM 1690 OG1 THR A 106 4.541 3.293 7.253 1.00 42.21 O ATOM 1691 CG2 THR A 106 4.214 0.963 6.943 1.00 52.41 C ATOM 0 H THR A 106 3.827 4.461 5.352 1.00 55.21 H new ATOM 0 HA THR A 106 5.551 2.205 4.898 1.00 71.43 H new ATOM 0 HB THR A 106 2.882 2.475 6.275 1.00 30.35 H new ATOM 0 HG1 THR A 106 4.182 3.159 8.155 1.00 42.21 H new ATOM 0 HG21 THR A 106 3.786 0.900 7.944 1.00 52.41 H new ATOM 0 HG22 THR A 106 3.750 0.213 6.302 1.00 52.41 H new ATOM 0 HG23 THR A 106 5.287 0.781 6.995 1.00 52.41 H new ATOM 1699 N MET A 107 2.642 2.179 3.340 1.00 23.43 N ATOM 1700 CA MET A 107 2.062 1.516 2.169 1.00 1.33 C ATOM 1701 C MET A 107 2.949 1.746 0.945 1.00 52.22 C ATOM 1702 O MET A 107 3.056 0.862 0.100 1.00 53.44 O ATOM 1703 CB MET A 107 0.610 1.944 1.872 1.00 44.14 C ATOM 1704 CG MET A 107 0.405 3.446 1.637 1.00 70.33 C ATOM 1705 SD MET A 107 -1.077 3.963 0.738 1.00 21.00 S ATOM 1706 CE MET A 107 -2.349 3.651 1.981 1.00 22.22 C ATOM 0 H MET A 107 2.109 2.974 3.693 1.00 23.43 H new ATOM 0 HA MET A 107 2.020 0.452 2.403 1.00 1.33 H new ATOM 0 HB2 MET A 107 0.262 1.404 0.991 1.00 44.14 H new ATOM 0 HB3 MET A 107 -0.021 1.634 2.705 1.00 44.14 H new ATOM 0 HG2 MET A 107 0.397 3.939 2.609 1.00 70.33 H new ATOM 0 HG3 MET A 107 1.273 3.822 1.096 1.00 70.33 H new ATOM 0 HE1 MET A 107 -3.171 4.354 1.845 1.00 22.22 H new ATOM 0 HE2 MET A 107 -2.721 2.632 1.873 1.00 22.22 H new ATOM 0 HE3 MET A 107 -1.924 3.778 2.977 1.00 22.22 H new ATOM 1716 N THR A 108 3.602 2.907 0.834 1.00 34.23 N ATOM 1717 CA THR A 108 4.351 3.245 -0.361 1.00 23.41 C ATOM 1718 C THR A 108 5.519 2.261 -0.549 1.00 21.33 C ATOM 1719 O THR A 108 5.609 1.670 -1.616 1.00 31.54 O ATOM 1720 CB THR A 108 4.729 4.737 -0.344 1.00 73.53 C ATOM 1721 OG1 THR A 108 3.634 5.536 0.070 1.00 43.40 O ATOM 1722 CG2 THR A 108 5.100 5.220 -1.742 1.00 11.44 C ATOM 0 H THR A 108 3.622 3.622 1.561 1.00 34.23 H new ATOM 0 HA THR A 108 3.739 3.124 -1.255 1.00 23.41 H new ATOM 0 HB THR A 108 5.568 4.833 0.345 1.00 73.53 H new ATOM 0 HG1 THR A 108 3.472 5.399 1.027 1.00 43.40 H new ATOM 0 HG21 THR A 108 5.363 6.277 -1.704 1.00 11.44 H new ATOM 0 HG22 THR A 108 5.951 4.647 -2.111 1.00 11.44 H new ATOM 0 HG23 THR A 108 4.251 5.081 -2.412 1.00 11.44 H new ATOM 1730 N ASN A 109 6.356 1.971 0.463 1.00 33.25 N ATOM 1731 CA ASN A 109 7.433 0.976 0.283 1.00 42.12 C ATOM 1732 C ASN A 109 6.884 -0.404 -0.112 1.00 1.24 C ATOM 1733 O ASN A 109 7.468 -1.101 -0.939 1.00 4.00 O ATOM 1734 CB ASN A 109 8.312 0.808 1.536 1.00 23.12 C ATOM 1735 CG ASN A 109 9.571 0.010 1.155 1.00 44.15 C ATOM 1736 OD1 ASN A 109 10.489 0.535 0.529 1.00 52.22 O ATOM 1737 ND2 ASN A 109 9.617 -1.278 1.472 1.00 4.34 N ATOM 0 H ASN A 109 6.313 2.396 1.389 1.00 33.25 H new ATOM 0 HA ASN A 109 8.047 1.373 -0.525 1.00 42.12 H new ATOM 0 HB2 ASN A 109 8.590 1.783 1.936 1.00 23.12 H new ATOM 0 HB3 ASN A 109 7.759 0.289 2.318 1.00 23.12 H new ATOM 0 HD21 ASN A 109 10.420 -1.843 1.196 1.00 4.34 H new ATOM 0 HD22 ASN A 109 8.849 -1.703 1.992 1.00 4.34 H new ATOM 1744 N TRP A 110 5.759 -0.804 0.488 1.00 34.50 N ATOM 1745 CA TRP A 110 5.109 -2.086 0.227 1.00 55.01 C ATOM 1746 C TRP A 110 4.684 -2.191 -1.240 1.00 52.42 C ATOM 1747 O TRP A 110 4.817 -3.263 -1.826 1.00 73.21 O ATOM 1748 CB TRP A 110 3.917 -2.268 1.185 1.00 1.43 C ATOM 1749 CG TRP A 110 3.024 -3.439 0.907 1.00 51.11 C ATOM 1750 CD1 TRP A 110 3.013 -4.633 1.541 1.00 72.24 C ATOM 1751 CD2 TRP A 110 1.924 -3.500 -0.043 1.00 50.52 C ATOM 1752 NE1 TRP A 110 2.063 -5.460 0.969 1.00 73.53 N ATOM 1753 CE2 TRP A 110 1.351 -4.802 -0.008 1.00 44.01 C ATOM 1754 CE3 TRP A 110 1.334 -2.557 -0.902 1.00 50.11 C ATOM 1755 CZ2 TRP A 110 0.289 -5.167 -0.843 1.00 24.42 C ATOM 1756 CZ3 TRP A 110 0.266 -2.907 -1.744 1.00 42.22 C ATOM 1757 CH2 TRP A 110 -0.246 -4.214 -1.723 1.00 20.34 C ATOM 0 H TRP A 110 5.269 -0.236 1.179 1.00 34.50 H new ATOM 0 HA TRP A 110 5.818 -2.893 0.411 1.00 55.01 H new ATOM 0 HB2 TRP A 110 4.303 -2.364 2.200 1.00 1.43 H new ATOM 0 HB3 TRP A 110 3.313 -1.361 1.158 1.00 1.43 H new ATOM 0 HD1 TRP A 110 3.651 -4.901 2.370 1.00 72.24 H new ATOM 0 HE1 TRP A 110 1.910 -6.432 1.237 1.00 73.53 H new ATOM 0 HE3 TRP A 110 1.709 -1.544 -0.915 1.00 50.11 H new ATOM 0 HZ2 TRP A 110 -0.113 -6.169 -0.811 1.00 24.42 H new ATOM 0 HZ3 TRP A 110 -0.162 -2.170 -2.408 1.00 42.22 H new ATOM 0 HH2 TRP A 110 -1.054 -4.487 -2.386 1.00 20.34 H new ATOM 1768 N LEU A 111 4.230 -1.098 -1.861 1.00 2.32 N ATOM 1769 CA LEU A 111 3.756 -1.105 -3.241 1.00 35.13 C ATOM 1770 C LEU A 111 4.889 -1.513 -4.190 1.00 20.22 C ATOM 1771 O LEU A 111 4.642 -2.215 -5.166 1.00 4.23 O ATOM 1772 CB LEU A 111 3.167 0.277 -3.602 1.00 45.21 C ATOM 1773 CG LEU A 111 1.676 0.455 -3.262 1.00 23.05 C ATOM 1774 CD1 LEU A 111 1.327 1.923 -3.019 1.00 52.12 C ATOM 1775 CD2 LEU A 111 0.771 -0.086 -4.369 1.00 11.12 C ATOM 0 H LEU A 111 4.182 -0.182 -1.415 1.00 2.32 H new ATOM 0 HA LEU A 111 2.961 -1.843 -3.350 1.00 35.13 H new ATOM 0 HB2 LEU A 111 3.738 1.046 -3.082 1.00 45.21 H new ATOM 0 HB3 LEU A 111 3.304 0.446 -4.670 1.00 45.21 H new ATOM 0 HG LEU A 111 1.504 -0.115 -2.349 1.00 23.05 H new ATOM 0 HD11 LEU A 111 0.267 2.010 -2.782 1.00 52.12 H new ATOM 0 HD12 LEU A 111 1.918 2.304 -2.186 1.00 52.12 H new ATOM 0 HD13 LEU A 111 1.547 2.503 -3.916 1.00 52.12 H new ATOM 0 HD21 LEU A 111 -0.272 0.059 -4.089 1.00 11.12 H new ATOM 0 HD22 LEU A 111 0.975 0.446 -5.298 1.00 11.12 H new ATOM 0 HD23 LEU A 111 0.964 -1.149 -4.510 1.00 11.12 H new ATOM 1787 N LEU A 112 6.142 -1.147 -3.909 1.00 42.11 N ATOM 1788 CA LEU A 112 7.251 -1.504 -4.777 1.00 43.32 C ATOM 1789 C LEU A 112 7.699 -2.929 -4.495 1.00 40.45 C ATOM 1790 O LEU A 112 8.001 -3.657 -5.433 1.00 75.01 O ATOM 1791 CB LEU A 112 8.417 -0.562 -4.548 1.00 4.44 C ATOM 1792 CG LEU A 112 8.134 0.900 -4.944 1.00 74.15 C ATOM 1793 CD1 LEU A 112 8.336 1.788 -3.706 1.00 41.23 C ATOM 1794 CD2 LEU A 112 9.007 1.342 -6.123 1.00 1.01 C ATOM 0 H LEU A 112 6.407 -0.605 -3.087 1.00 42.11 H new ATOM 0 HA LEU A 112 6.918 -1.426 -5.812 1.00 43.32 H new ATOM 0 HB2 LEU A 112 8.694 -0.594 -3.494 1.00 4.44 H new ATOM 0 HB3 LEU A 112 9.276 -0.921 -5.115 1.00 4.44 H new ATOM 0 HG LEU A 112 7.103 0.996 -5.285 1.00 74.15 H new ATOM 0 HD11 LEU A 112 8.140 2.828 -3.968 1.00 41.23 H new ATOM 0 HD12 LEU A 112 7.650 1.476 -2.919 1.00 41.23 H new ATOM 0 HD13 LEU A 112 9.362 1.691 -3.352 1.00 41.23 H new ATOM 0 HD21 LEU A 112 8.781 2.378 -6.375 1.00 1.01 H new ATOM 0 HD22 LEU A 112 10.059 1.257 -5.849 1.00 1.01 H new ATOM 0 HD23 LEU A 112 8.804 0.706 -6.985 1.00 1.01 H new ATOM 1806 N ALA A 113 7.729 -3.348 -3.222 1.00 54.05 N ATOM 1807 CA ALA A 113 8.019 -4.735 -2.855 1.00 23.31 C ATOM 1808 C ALA A 113 7.010 -5.708 -3.495 1.00 52.12 C ATOM 1809 O ALA A 113 7.304 -6.903 -3.574 1.00 32.45 O ATOM 1810 CB ALA A 113 8.023 -4.873 -1.328 1.00 61.22 C ATOM 0 H ALA A 113 7.554 -2.737 -2.425 1.00 54.05 H new ATOM 0 HA ALA A 113 9.005 -4.997 -3.238 1.00 23.31 H new ATOM 0 HB1 ALA A 113 8.239 -5.906 -1.057 1.00 61.22 H new ATOM 0 HB2 ALA A 113 8.786 -4.220 -0.906 1.00 61.22 H new ATOM 0 HB3 ALA A 113 7.046 -4.591 -0.935 1.00 61.22 H new ATOM 1816 N TYR A 114 5.863 -5.212 -3.978 1.00 31.21 N ATOM 1817 CA TYR A 114 4.938 -5.961 -4.807 1.00 73.22 C ATOM 1818 C TYR A 114 5.467 -6.087 -6.233 1.00 72.25 C ATOM 1819 O TYR A 114 5.761 -7.202 -6.651 1.00 52.04 O ATOM 1820 CB TYR A 114 3.545 -5.331 -4.783 1.00 54.12 C ATOM 1821 CG TYR A 114 2.459 -6.275 -5.249 1.00 40.13 C ATOM 1822 CD1 TYR A 114 2.190 -7.430 -4.496 1.00 21.03 C ATOM 1823 CD2 TYR A 114 1.693 -5.982 -6.395 1.00 52.00 C ATOM 1824 CE1 TYR A 114 1.160 -8.295 -4.889 1.00 33.44 C ATOM 1825 CE2 TYR A 114 0.593 -6.794 -6.732 1.00 74.32 C ATOM 1826 CZ TYR A 114 0.348 -7.978 -6.001 1.00 1.02 C ATOM 1827 OH TYR A 114 -0.708 -8.783 -6.286 1.00 2.23 O ATOM 0 H TYR A 114 5.555 -4.257 -3.793 1.00 31.21 H new ATOM 0 HA TYR A 114 4.851 -6.966 -4.394 1.00 73.22 H new ATOM 0 HB2 TYR A 114 3.320 -5.000 -3.769 1.00 54.12 H new ATOM 0 HB3 TYR A 114 3.543 -4.444 -5.416 1.00 54.12 H new ATOM 0 HD1 TYR A 114 2.776 -7.651 -3.616 1.00 21.03 H new ATOM 0 HD2 TYR A 114 1.949 -5.135 -7.014 1.00 52.00 H new ATOM 0 HE1 TYR A 114 0.986 -9.208 -4.339 1.00 33.44 H new ATOM 0 HE2 TYR A 114 -0.060 -6.513 -7.545 1.00 74.32 H new ATOM 0 HH TYR A 114 -1.532 -8.374 -5.947 1.00 2.23 H new ATOM 1837 N ARG A 115 5.622 -4.989 -6.995 1.00 32.13 N ATOM 1838 CA ARG A 115 6.106 -5.106 -8.381 1.00 71.22 C ATOM 1839 C ARG A 115 7.483 -5.773 -8.465 1.00 0.21 C ATOM 1840 O ARG A 115 7.797 -6.398 -9.480 1.00 64.30 O ATOM 1841 CB ARG A 115 6.131 -3.773 -9.150 1.00 23.42 C ATOM 1842 CG ARG A 115 6.852 -2.621 -8.426 1.00 60.32 C ATOM 1843 CD ARG A 115 7.276 -1.486 -9.369 1.00 33.50 C ATOM 1844 NE ARG A 115 8.631 -1.705 -9.919 1.00 33.12 N ATOM 1845 CZ ARG A 115 9.466 -0.764 -10.383 1.00 15.33 C ATOM 1846 NH1 ARG A 115 9.207 0.531 -10.266 1.00 25.03 N ATOM 1847 NH2 ARG A 115 10.609 -1.125 -10.941 1.00 44.45 N ATOM 0 H ARG A 115 5.426 -4.037 -6.686 1.00 32.13 H new ATOM 0 HA ARG A 115 5.370 -5.747 -8.867 1.00 71.22 H new ATOM 0 HB2 ARG A 115 6.613 -3.935 -10.114 1.00 23.42 H new ATOM 0 HB3 ARG A 115 5.104 -3.469 -9.354 1.00 23.42 H new ATOM 0 HG2 ARG A 115 6.196 -2.218 -7.655 1.00 60.32 H new ATOM 0 HG3 ARG A 115 7.734 -3.014 -7.921 1.00 60.32 H new ATOM 0 HD2 ARG A 115 6.560 -1.407 -10.187 1.00 33.50 H new ATOM 0 HD3 ARG A 115 7.251 -0.538 -8.831 1.00 33.50 H new ATOM 0 HE ARG A 115 8.964 -2.669 -9.948 1.00 33.12 H new ATOM 0 HH11 ARG A 115 8.348 0.840 -9.810 1.00 25.03 H new ATOM 0 HH12 ARG A 115 9.866 1.218 -10.631 1.00 25.03 H new ATOM 0 HH21 ARG A 115 10.850 -2.113 -11.016 1.00 44.45 H new ATOM 0 HH22 ARG A 115 11.250 -0.415 -11.296 1.00 44.45 H new ATOM 1861 N ARG A 116 8.284 -5.707 -7.395 1.00 72.11 N ATOM 1862 CA ARG A 116 9.522 -6.447 -7.247 1.00 31.31 C ATOM 1863 C ARG A 116 9.348 -7.941 -7.563 1.00 21.24 C ATOM 1864 O ARG A 116 10.301 -8.564 -8.018 1.00 61.42 O ATOM 1865 CB ARG A 116 10.072 -6.275 -5.843 1.00 4.21 C ATOM 1866 CG ARG A 116 11.084 -5.134 -5.709 1.00 63.51 C ATOM 1867 CD ARG A 116 12.281 -5.259 -6.677 1.00 3.02 C ATOM 1868 NE ARG A 116 13.484 -4.472 -6.316 1.00 51.41 N ATOM 1869 CZ ARG A 116 14.223 -3.736 -7.161 1.00 32.31 C ATOM 1870 NH1 ARG A 116 13.950 -3.699 -8.458 1.00 42.22 N ATOM 1871 NH2 ARG A 116 15.257 -3.056 -6.698 1.00 62.15 N ATOM 0 H ARG A 116 8.074 -5.117 -6.590 1.00 72.11 H new ATOM 0 HA ARG A 116 10.229 -6.039 -7.969 1.00 31.31 H new ATOM 0 HB2 ARG A 116 9.243 -6.095 -5.158 1.00 4.21 H new ATOM 0 HB3 ARG A 116 10.546 -7.206 -5.532 1.00 4.21 H new ATOM 0 HG2 ARG A 116 10.577 -4.186 -5.890 1.00 63.51 H new ATOM 0 HG3 ARG A 116 11.456 -5.106 -4.685 1.00 63.51 H new ATOM 0 HD2 ARG A 116 12.563 -6.310 -6.743 1.00 3.02 H new ATOM 0 HD3 ARG A 116 11.954 -4.954 -7.671 1.00 3.02 H new ATOM 0 HE ARG A 116 13.776 -4.491 -5.339 1.00 51.41 H new ATOM 0 HH11 ARG A 116 13.167 -4.236 -8.830 1.00 42.22 H new ATOM 0 HH12 ARG A 116 14.523 -3.134 -9.084 1.00 42.22 H new ATOM 0 HH21 ARG A 116 15.488 -3.093 -5.705 1.00 62.15 H new ATOM 0 HH22 ARG A 116 15.824 -2.494 -7.333 1.00 62.15 H new ATOM 1885 N SER A 117 8.179 -8.527 -7.293 1.00 63.23 N ATOM 1886 CA SER A 117 7.898 -9.938 -7.512 1.00 52.22 C ATOM 1887 C SER A 117 7.369 -10.224 -8.927 1.00 62.04 C ATOM 1888 O SER A 117 7.563 -11.328 -9.434 1.00 13.25 O ATOM 1889 CB SER A 117 6.915 -10.394 -6.425 1.00 11.21 C ATOM 1890 OG SER A 117 5.557 -10.154 -6.743 1.00 24.30 O ATOM 0 H SER A 117 7.385 -8.016 -6.907 1.00 63.23 H new ATOM 0 HA SER A 117 8.825 -10.508 -7.440 1.00 52.22 H new ATOM 0 HB2 SER A 117 7.054 -11.461 -6.248 1.00 11.21 H new ATOM 0 HB3 SER A 117 7.156 -9.882 -5.493 1.00 11.21 H new ATOM 0 HG SER A 117 5.381 -9.190 -6.719 1.00 24.30 H new ATOM 1896 N GLN A 118 6.683 -9.251 -9.544 1.00 71.21 N ATOM 1897 CA GLN A 118 5.872 -9.425 -10.772 1.00 63.31 C ATOM 1898 C GLN A 118 6.581 -8.955 -12.056 1.00 5.43 C ATOM 1899 O GLN A 118 6.286 -9.425 -13.159 1.00 14.10 O ATOM 1900 CB GLN A 118 4.552 -8.657 -10.624 1.00 63.45 C ATOM 1901 CG GLN A 118 3.750 -8.971 -9.353 1.00 21.45 C ATOM 1902 CD GLN A 118 2.351 -8.371 -9.370 1.00 60.44 C ATOM 1903 OE1 GLN A 118 1.414 -8.998 -8.888 1.00 23.32 O ATOM 1904 NE2 GLN A 118 2.185 -7.153 -9.862 1.00 22.32 N ATOM 0 H GLN A 118 6.673 -8.292 -9.198 1.00 71.21 H new ATOM 0 HA GLN A 118 5.701 -10.496 -10.878 1.00 63.31 H new ATOM 0 HB2 GLN A 118 4.768 -7.589 -10.643 1.00 63.45 H new ATOM 0 HB3 GLN A 118 3.927 -8.871 -11.491 1.00 63.45 H new ATOM 0 HG2 GLN A 118 3.674 -10.052 -9.235 1.00 21.45 H new ATOM 0 HG3 GLN A 118 4.291 -8.593 -8.486 1.00 21.45 H new ATOM 0 HE21 GLN A 118 2.979 -6.650 -10.258 1.00 22.32 H new ATOM 0 HE22 GLN A 118 1.263 -6.717 -9.845 1.00 22.32 H new