USER MOD reduce.3.24.130724 H: found=0, std=0, add=869, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 871 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 114 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 118 GLN : amide:sc= -1.64 K(o=-1.6,f=-2.3!) USER MOD Set 2.1: A 24 ASN : amide:sc= 0.413 K(o=-0.62,f=-4.7!) USER MOD Set 2.2: A 107 MET CE :methyl 167:sc= -1.03 (180deg=-1.52) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0027 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 90:sc= 1.01 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 73:sc= 1.24 USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.003) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot 180:sc= 0.234 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.0936 X(o=-0.094,f=-0.11) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= -0.545 USER MOD Single : A 68 THR OG1 : rot -160:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 144:sc= 0.803 (180deg=-1.54!) USER MOD Single : A 72 THR OG1 : rot 95:sc= 0.0814 USER MOD Single : A 74 SER OG : rot -130:sc= 0.112 USER MOD Single : A 79 TYR OH : rot 180:sc=-0.000267 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 GLN : amide:sc= -0.0166 K(o=-0.017,f=-1.4!) USER MOD Single : A 84 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0521) USER MOD Single : A 101 LYS NZ :NH3+ -166:sc= 1.24 (180deg=1.09) USER MOD Single : A 102 THR OG1 : rot 180:sc=-0.00663 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot -150:sc= 0.0175 USER MOD Single : A 109 ASN : amide:sc= 0.859 K(o=0.86,f=-2.8!) USER MOD Single : A 117 SER OG : rot -69:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 18 N GLY A 2 -2.515 -9.577 -10.697 1.00 41.24 N ATOM 19 CA GLY A 2 -1.267 -9.192 -11.358 1.00 22.10 C ATOM 20 C GLY A 2 -1.333 -7.865 -12.112 1.00 42.23 C ATOM 21 O GLY A 2 -1.357 -7.847 -13.341 1.00 3.43 O ATOM 0 HA2 GLY A 2 -0.478 -9.131 -10.609 1.00 22.10 H new ATOM 0 HA3 GLY A 2 -0.983 -9.979 -12.057 1.00 22.10 H new ATOM 25 N ILE A 3 -1.326 -6.752 -11.378 1.00 54.45 N ATOM 26 CA ILE A 3 -1.420 -5.400 -11.941 1.00 44.03 C ATOM 27 C ILE A 3 -0.016 -4.907 -12.333 1.00 44.24 C ATOM 28 O ILE A 3 0.984 -5.299 -11.729 1.00 64.42 O ATOM 29 CB ILE A 3 -2.088 -4.434 -10.922 1.00 52.42 C ATOM 30 CG1 ILE A 3 -3.298 -5.090 -10.230 1.00 3.43 C ATOM 31 CG2 ILE A 3 -2.595 -3.153 -11.609 1.00 42.31 C ATOM 32 CD1 ILE A 3 -3.979 -4.180 -9.204 1.00 72.22 C ATOM 0 H ILE A 3 -1.254 -6.762 -10.361 1.00 54.45 H new ATOM 0 HA ILE A 3 -2.043 -5.423 -12.835 1.00 44.03 H new ATOM 0 HB ILE A 3 -1.318 -4.192 -10.189 1.00 52.42 H new ATOM 0 HG12 ILE A 3 -4.026 -5.381 -10.987 1.00 3.43 H new ATOM 0 HG13 ILE A 3 -2.972 -6.004 -9.734 1.00 3.43 H new ATOM 0 HG21 ILE A 3 -3.056 -2.501 -10.867 1.00 42.31 H new ATOM 0 HG22 ILE A 3 -1.758 -2.635 -12.077 1.00 42.31 H new ATOM 0 HG23 ILE A 3 -3.331 -3.415 -12.369 1.00 42.31 H new ATOM 0 HD11 ILE A 3 -4.822 -4.705 -8.755 1.00 72.22 H new ATOM 0 HD12 ILE A 3 -3.265 -3.910 -8.426 1.00 72.22 H new ATOM 0 HD13 ILE A 3 -4.336 -3.277 -9.699 1.00 72.22 H new ATOM 44 N THR A 4 0.069 -3.967 -13.267 1.00 33.05 N ATOM 45 CA THR A 4 1.233 -3.086 -13.405 1.00 53.43 C ATOM 46 C THR A 4 1.245 -2.099 -12.236 1.00 25.40 C ATOM 47 O THR A 4 0.190 -1.636 -11.806 1.00 25.13 O ATOM 48 CB THR A 4 1.117 -2.323 -14.730 1.00 63.12 C ATOM 49 OG1 THR A 4 1.180 -3.277 -15.759 1.00 13.11 O ATOM 50 CG2 THR A 4 2.206 -1.273 -14.967 1.00 41.24 C ATOM 0 H THR A 4 -0.665 -3.790 -13.953 1.00 33.05 H new ATOM 0 HA THR A 4 2.156 -3.666 -13.399 1.00 53.43 H new ATOM 0 HB THR A 4 0.179 -1.769 -14.704 1.00 63.12 H new ATOM 0 HG1 THR A 4 1.107 -2.827 -16.627 1.00 13.11 H new ATOM 0 HG21 THR A 4 2.040 -0.787 -15.928 1.00 41.24 H new ATOM 0 HG22 THR A 4 2.172 -0.527 -14.173 1.00 41.24 H new ATOM 0 HG23 THR A 4 3.183 -1.756 -14.969 1.00 41.24 H new ATOM 58 N ILE A 5 2.421 -1.700 -11.751 1.00 1.05 N ATOM 59 CA ILE A 5 2.572 -0.638 -10.770 1.00 13.24 C ATOM 60 C ILE A 5 3.720 0.249 -11.238 1.00 13.13 C ATOM 61 O ILE A 5 4.813 -0.240 -11.534 1.00 52.24 O ATOM 62 CB ILE A 5 2.862 -1.252 -9.396 1.00 72.42 C ATOM 63 CG1 ILE A 5 1.850 -2.330 -8.955 1.00 12.31 C ATOM 64 CG2 ILE A 5 3.032 -0.179 -8.320 1.00 35.54 C ATOM 65 CD1 ILE A 5 0.514 -1.821 -8.400 1.00 62.30 C ATOM 0 H ILE A 5 3.307 -2.116 -12.037 1.00 1.05 H new ATOM 0 HA ILE A 5 1.664 -0.043 -10.677 1.00 13.24 H new ATOM 0 HB ILE A 5 3.811 -1.774 -9.516 1.00 72.42 H new ATOM 0 HG12 ILE A 5 1.642 -2.974 -9.809 1.00 12.31 H new ATOM 0 HG13 ILE A 5 2.322 -2.952 -8.194 1.00 12.31 H new ATOM 0 HG21 ILE A 5 3.236 -0.655 -7.361 1.00 35.54 H new ATOM 0 HG22 ILE A 5 3.863 0.474 -8.585 1.00 35.54 H new ATOM 0 HG23 ILE A 5 2.118 0.410 -8.246 1.00 35.54 H new ATOM 0 HD11 ILE A 5 -0.112 -2.669 -8.124 1.00 62.30 H new ATOM 0 HD12 ILE A 5 0.697 -1.204 -7.520 1.00 62.30 H new ATOM 0 HD13 ILE A 5 0.007 -1.227 -9.160 1.00 62.30 H new ATOM 77 N THR A 6 3.473 1.547 -11.302 1.00 1.51 N ATOM 78 CA THR A 6 4.415 2.527 -11.819 1.00 44.24 C ATOM 79 C THR A 6 4.945 3.401 -10.686 1.00 74.42 C ATOM 80 O THR A 6 4.163 3.881 -9.864 1.00 24.52 O ATOM 81 CB THR A 6 3.713 3.349 -12.914 1.00 64.45 C ATOM 82 OG1 THR A 6 2.338 3.583 -12.657 1.00 2.22 O ATOM 83 CG2 THR A 6 3.799 2.611 -14.254 1.00 12.42 C ATOM 0 H THR A 6 2.593 1.958 -10.989 1.00 1.51 H new ATOM 0 HA THR A 6 5.280 2.032 -12.261 1.00 44.24 H new ATOM 0 HB THR A 6 4.229 4.309 -12.935 1.00 64.45 H new ATOM 0 HG1 THR A 6 1.954 4.110 -13.388 1.00 2.22 H new ATOM 0 HG21 THR A 6 3.300 3.198 -15.025 1.00 12.42 H new ATOM 0 HG22 THR A 6 4.845 2.470 -14.525 1.00 12.42 H new ATOM 0 HG23 THR A 6 3.313 1.639 -14.166 1.00 12.42 H new ATOM 91 N ASP A 7 6.262 3.642 -10.645 1.00 3.53 N ATOM 92 CA ASP A 7 6.867 4.484 -9.611 1.00 4.04 C ATOM 93 C ASP A 7 6.262 5.874 -9.604 1.00 54.11 C ATOM 94 O ASP A 7 6.141 6.476 -8.541 1.00 22.51 O ATOM 95 CB ASP A 7 8.383 4.667 -9.792 1.00 41.31 C ATOM 96 CG ASP A 7 9.192 3.455 -9.373 1.00 61.24 C ATOM 97 OD1 ASP A 7 8.921 2.915 -8.280 1.00 23.42 O ATOM 98 OD2 ASP A 7 10.029 3.015 -10.198 1.00 33.40 O ATOM 0 H ASP A 7 6.928 3.264 -11.319 1.00 3.53 H new ATOM 0 HA ASP A 7 6.669 3.958 -8.677 1.00 4.04 H new ATOM 0 HB2 ASP A 7 8.592 4.889 -10.838 1.00 41.31 H new ATOM 0 HB3 ASP A 7 8.709 5.530 -9.211 1.00 41.31 H new ATOM 103 N GLU A 8 5.885 6.378 -10.779 1.00 24.05 N ATOM 104 CA GLU A 8 5.351 7.720 -10.941 1.00 35.31 C ATOM 105 C GLU A 8 3.992 7.853 -10.253 1.00 12.25 C ATOM 106 O GLU A 8 3.710 8.862 -9.607 1.00 54.12 O ATOM 107 CB GLU A 8 5.218 8.011 -12.431 1.00 5.34 C ATOM 108 CG GLU A 8 6.583 8.212 -13.093 1.00 71.51 C ATOM 109 CD GLU A 8 7.302 9.442 -12.544 1.00 21.01 C ATOM 110 OE1 GLU A 8 6.924 10.575 -12.900 1.00 62.02 O ATOM 111 OE2 GLU A 8 8.245 9.312 -11.725 1.00 73.35 O ATOM 0 H GLU A 8 5.945 5.855 -11.653 1.00 24.05 H new ATOM 0 HA GLU A 8 6.028 8.438 -10.478 1.00 35.31 H new ATOM 0 HB2 GLU A 8 4.696 7.187 -12.917 1.00 5.34 H new ATOM 0 HB3 GLU A 8 4.609 8.904 -12.574 1.00 5.34 H new ATOM 0 HG2 GLU A 8 7.200 7.328 -12.931 1.00 71.51 H new ATOM 0 HG3 GLU A 8 6.453 8.317 -14.170 1.00 71.51 H new ATOM 118 N LEU A 9 3.146 6.826 -10.367 1.00 44.33 N ATOM 119 CA LEU A 9 1.858 6.763 -9.729 1.00 51.55 C ATOM 120 C LEU A 9 2.078 6.711 -8.220 1.00 42.42 C ATOM 121 O LEU A 9 1.426 7.431 -7.471 1.00 53.55 O ATOM 122 CB LEU A 9 1.165 5.522 -10.299 1.00 71.23 C ATOM 123 CG LEU A 9 -0.108 5.166 -9.552 1.00 30.31 C ATOM 124 CD1 LEU A 9 -1.152 6.287 -9.510 1.00 21.24 C ATOM 125 CD2 LEU A 9 -0.704 3.911 -10.194 1.00 2.32 C ATOM 0 H LEU A 9 3.358 5.999 -10.925 1.00 44.33 H new ATOM 0 HA LEU A 9 1.223 7.629 -9.916 1.00 51.55 H new ATOM 0 HB2 LEU A 9 0.929 5.693 -11.349 1.00 71.23 H new ATOM 0 HB3 LEU A 9 1.852 4.677 -10.260 1.00 71.23 H new ATOM 0 HG LEU A 9 0.165 4.994 -8.511 1.00 30.31 H new ATOM 0 HD11 LEU A 9 -2.028 5.948 -8.958 1.00 21.24 H new ATOM 0 HD12 LEU A 9 -0.728 7.161 -9.016 1.00 21.24 H new ATOM 0 HD13 LEU A 9 -1.444 6.551 -10.527 1.00 21.24 H new ATOM 0 HD21 LEU A 9 -1.621 3.636 -9.673 1.00 2.32 H new ATOM 0 HD22 LEU A 9 -0.928 4.110 -11.242 1.00 2.32 H new ATOM 0 HD23 LEU A 9 0.012 3.092 -10.125 1.00 2.32 H new ATOM 137 N LEU A 10 3.011 5.877 -7.762 1.00 41.41 N ATOM 138 CA LEU A 10 3.245 5.703 -6.338 1.00 22.21 C ATOM 139 C LEU A 10 3.860 6.938 -5.682 1.00 23.25 C ATOM 140 O LEU A 10 3.523 7.250 -4.535 1.00 63.13 O ATOM 141 CB LEU A 10 4.116 4.475 -6.116 1.00 1.31 C ATOM 142 CG LEU A 10 3.469 3.150 -6.557 1.00 12.43 C ATOM 143 CD1 LEU A 10 4.354 2.029 -6.034 1.00 12.05 C ATOM 144 CD2 LEU A 10 2.034 2.972 -6.057 1.00 44.15 C ATOM 0 H LEU A 10 3.615 5.313 -8.361 1.00 41.41 H new ATOM 0 HA LEU A 10 2.277 5.559 -5.857 1.00 22.21 H new ATOM 0 HB2 LEU A 10 5.053 4.606 -6.658 1.00 1.31 H new ATOM 0 HB3 LEU A 10 4.367 4.409 -5.057 1.00 1.31 H new ATOM 0 HG LEU A 10 3.396 3.141 -7.645 1.00 12.43 H new ATOM 0 HD11 LEU A 10 3.932 1.067 -6.324 1.00 12.05 H new ATOM 0 HD12 LEU A 10 5.354 2.129 -6.455 1.00 12.05 H new ATOM 0 HD13 LEU A 10 4.411 2.087 -4.947 1.00 12.05 H new ATOM 0 HD21 LEU A 10 1.643 2.016 -6.406 1.00 44.15 H new ATOM 0 HD22 LEU A 10 2.023 2.992 -4.967 1.00 44.15 H new ATOM 0 HD23 LEU A 10 1.412 3.781 -6.441 1.00 44.15 H new ATOM 156 N TRP A 11 4.723 7.669 -6.390 1.00 45.14 N ATOM 157 CA TRP A 11 5.212 8.969 -5.953 1.00 11.15 C ATOM 158 C TRP A 11 4.063 9.929 -5.613 1.00 2.55 C ATOM 159 O TRP A 11 4.248 10.749 -4.714 1.00 20.32 O ATOM 160 CB TRP A 11 6.155 9.578 -7.005 1.00 71.33 C ATOM 161 CG TRP A 11 7.624 9.444 -6.722 1.00 21.53 C ATOM 162 CD1 TRP A 11 8.486 8.590 -7.323 1.00 61.02 C ATOM 163 CD2 TRP A 11 8.415 10.164 -5.726 1.00 2.44 C ATOM 164 NE1 TRP A 11 9.766 8.844 -6.878 1.00 1.51 N ATOM 165 CE2 TRP A 11 9.775 9.753 -5.841 1.00 15.33 C ATOM 166 CE3 TRP A 11 8.116 11.093 -4.705 1.00 63.10 C ATOM 167 CZ2 TRP A 11 10.782 10.246 -4.997 1.00 74.41 C ATOM 168 CZ3 TRP A 11 9.113 11.562 -3.825 1.00 51.25 C ATOM 169 CH2 TRP A 11 10.443 11.142 -3.973 1.00 4.33 C ATOM 0 H TRP A 11 5.102 7.370 -7.288 1.00 45.14 H new ATOM 0 HA TRP A 11 5.779 8.815 -5.035 1.00 11.15 H new ATOM 0 HB2 TRP A 11 5.946 9.111 -7.967 1.00 71.33 H new ATOM 0 HB3 TRP A 11 5.919 10.637 -7.107 1.00 71.33 H new ATOM 0 HD1 TRP A 11 8.213 7.829 -8.039 1.00 61.02 H new ATOM 0 HE1 TRP A 11 10.604 8.412 -7.268 1.00 1.51 H new ATOM 0 HE3 TRP A 11 7.103 11.451 -4.596 1.00 63.10 H new ATOM 0 HZ2 TRP A 11 11.808 9.938 -5.135 1.00 74.41 H new ATOM 0 HZ3 TRP A 11 8.851 12.248 -3.033 1.00 51.25 H new ATOM 0 HH2 TRP A 11 11.204 11.508 -3.300 1.00 4.33 H new ATOM 180 N ALA A 12 2.876 9.818 -6.227 1.00 30.14 N ATOM 181 CA ALA A 12 1.758 10.719 -5.944 1.00 23.41 C ATOM 182 C ALA A 12 1.301 10.615 -4.484 1.00 52.41 C ATOM 183 O ALA A 12 0.905 11.620 -3.889 1.00 75.12 O ATOM 184 CB ALA A 12 0.589 10.436 -6.891 1.00 55.30 C ATOM 0 H ALA A 12 2.668 9.106 -6.927 1.00 30.14 H new ATOM 0 HA ALA A 12 2.107 11.738 -6.109 1.00 23.41 H new ATOM 0 HB1 ALA A 12 -0.234 11.115 -6.667 1.00 55.30 H new ATOM 0 HB2 ALA A 12 0.911 10.585 -7.922 1.00 55.30 H new ATOM 0 HB3 ALA A 12 0.256 9.406 -6.760 1.00 55.30 H new ATOM 190 N ILE A 13 1.386 9.431 -3.868 1.00 61.53 N ATOM 191 CA ILE A 13 1.108 9.267 -2.448 1.00 24.01 C ATOM 192 C ILE A 13 2.117 10.099 -1.653 1.00 53.14 C ATOM 193 O ILE A 13 1.752 10.791 -0.706 1.00 32.53 O ATOM 194 CB ILE A 13 1.148 7.773 -2.049 1.00 31.55 C ATOM 195 CG1 ILE A 13 0.028 6.965 -2.733 1.00 60.34 C ATOM 196 CG2 ILE A 13 0.954 7.618 -0.534 1.00 21.01 C ATOM 197 CD1 ILE A 13 0.417 6.329 -4.068 1.00 13.40 C ATOM 0 H ILE A 13 1.649 8.567 -4.342 1.00 61.53 H new ATOM 0 HA ILE A 13 0.103 9.622 -2.221 1.00 24.01 H new ATOM 0 HB ILE A 13 2.121 7.396 -2.365 1.00 31.55 H new ATOM 0 HG12 ILE A 13 -0.299 6.178 -2.054 1.00 60.34 H new ATOM 0 HG13 ILE A 13 -0.827 7.622 -2.895 1.00 60.34 H new ATOM 0 HG21 ILE A 13 0.985 6.561 -0.270 1.00 21.01 H new ATOM 0 HG22 ILE A 13 1.750 8.147 -0.009 1.00 21.01 H new ATOM 0 HG23 ILE A 13 -0.011 8.036 -0.246 1.00 21.01 H new ATOM 0 HD11 ILE A 13 -0.435 5.782 -4.472 1.00 13.40 H new ATOM 0 HD12 ILE A 13 0.714 7.109 -4.770 1.00 13.40 H new ATOM 0 HD13 ILE A 13 1.250 5.642 -3.915 1.00 13.40 H new ATOM 209 N LEU A 14 3.392 10.053 -2.038 1.00 43.00 N ATOM 210 CA LEU A 14 4.453 10.745 -1.323 1.00 54.41 C ATOM 211 C LEU A 14 4.274 12.258 -1.435 1.00 32.33 C ATOM 212 O LEU A 14 4.381 12.957 -0.424 1.00 42.24 O ATOM 213 CB LEU A 14 5.846 10.306 -1.796 1.00 31.15 C ATOM 214 CG LEU A 14 6.082 8.785 -1.729 1.00 14.54 C ATOM 215 CD1 LEU A 14 7.519 8.446 -2.127 1.00 54.41 C ATOM 216 CD2 LEU A 14 5.798 8.217 -0.333 1.00 51.11 C ATOM 0 H LEU A 14 3.714 9.534 -2.855 1.00 43.00 H new ATOM 0 HA LEU A 14 4.380 10.469 -0.271 1.00 54.41 H new ATOM 0 HB2 LEU A 14 5.991 10.641 -2.823 1.00 31.15 H new ATOM 0 HB3 LEU A 14 6.599 10.807 -1.188 1.00 31.15 H new ATOM 0 HG LEU A 14 5.385 8.327 -2.431 1.00 14.54 H new ATOM 0 HD11 LEU A 14 7.667 7.367 -2.074 1.00 54.41 H new ATOM 0 HD12 LEU A 14 7.705 8.788 -3.145 1.00 54.41 H new ATOM 0 HD13 LEU A 14 8.212 8.941 -1.446 1.00 54.41 H new ATOM 0 HD21 LEU A 14 5.978 7.142 -0.334 1.00 51.11 H new ATOM 0 HD22 LEU A 14 6.455 8.694 0.394 1.00 51.11 H new ATOM 0 HD23 LEU A 14 4.759 8.411 -0.066 1.00 51.11 H new ATOM 228 N LYS A 15 3.943 12.755 -2.628 1.00 71.22 N ATOM 229 CA LYS A 15 3.606 14.168 -2.848 1.00 21.41 C ATOM 230 C LYS A 15 2.313 14.584 -2.152 1.00 74.43 C ATOM 231 O LYS A 15 2.055 15.790 -2.054 1.00 71.11 O ATOM 232 CB LYS A 15 3.516 14.486 -4.357 1.00 14.35 C ATOM 233 CG LYS A 15 4.749 14.115 -5.204 1.00 1.51 C ATOM 234 CD LYS A 15 6.097 14.611 -4.651 1.00 31.12 C ATOM 235 CE LYS A 15 7.261 14.233 -5.585 1.00 35.14 C ATOM 236 NZ LYS A 15 7.315 15.063 -6.805 1.00 60.21 N ATOM 0 H LYS A 15 3.900 12.188 -3.475 1.00 71.22 H new ATOM 0 HA LYS A 15 4.416 14.747 -2.404 1.00 21.41 H new ATOM 0 HB2 LYS A 15 2.650 13.966 -4.766 1.00 14.35 H new ATOM 0 HB3 LYS A 15 3.330 15.554 -4.472 1.00 14.35 H new ATOM 0 HG2 LYS A 15 4.791 13.030 -5.300 1.00 1.51 H new ATOM 0 HG3 LYS A 15 4.615 14.519 -6.208 1.00 1.51 H new ATOM 0 HD2 LYS A 15 6.065 15.693 -4.527 1.00 31.12 H new ATOM 0 HD3 LYS A 15 6.267 14.182 -3.664 1.00 31.12 H new ATOM 0 HE2 LYS A 15 8.201 14.332 -5.043 1.00 35.14 H new ATOM 0 HE3 LYS A 15 7.166 13.185 -5.869 1.00 35.14 H new ATOM 0 HZ1 LYS A 15 8.118 14.763 -7.394 1.00 60.21 H new ATOM 0 HZ2 LYS A 15 6.431 14.950 -7.341 1.00 60.21 H new ATOM 0 HZ3 LYS A 15 7.434 16.062 -6.540 1.00 60.21 H new ATOM 250 N ASP A 16 1.512 13.628 -1.670 1.00 24.15 N ATOM 251 CA ASP A 16 0.273 13.818 -0.925 1.00 11.23 C ATOM 252 C ASP A 16 -0.857 14.297 -1.839 1.00 51.00 C ATOM 253 O ASP A 16 -1.680 15.130 -1.465 1.00 25.03 O ATOM 254 CB ASP A 16 0.493 14.666 0.336 1.00 42.40 C ATOM 255 CG ASP A 16 -0.553 14.478 1.437 1.00 33.21 C ATOM 256 OD1 ASP A 16 -1.556 13.742 1.283 1.00 63.43 O ATOM 257 OD2 ASP A 16 -0.326 15.060 2.526 1.00 54.02 O ATOM 0 H ASP A 16 1.730 12.640 -1.801 1.00 24.15 H new ATOM 0 HA ASP A 16 -0.062 12.852 -0.548 1.00 11.23 H new ATOM 0 HB2 ASP A 16 1.475 14.431 0.746 1.00 42.40 H new ATOM 0 HB3 ASP A 16 0.511 15.717 0.049 1.00 42.40 H new ATOM 262 N GLU A 17 -0.866 13.806 -3.078 1.00 73.00 N ATOM 263 CA GLU A 17 -1.838 14.075 -4.128 1.00 32.13 C ATOM 264 C GLU A 17 -3.006 13.069 -4.089 1.00 43.53 C ATOM 265 O GLU A 17 -4.122 13.387 -4.505 1.00 42.53 O ATOM 266 CB GLU A 17 -1.037 14.032 -5.447 1.00 22.52 C ATOM 267 CG GLU A 17 -1.839 13.683 -6.699 1.00 51.13 C ATOM 268 CD GLU A 17 -0.967 13.586 -7.948 1.00 45.21 C ATOM 269 OE1 GLU A 17 0.147 14.165 -7.976 1.00 13.13 O ATOM 270 OE2 GLU A 17 -1.423 12.961 -8.931 1.00 1.13 O ATOM 0 H GLU A 17 -0.139 13.163 -3.393 1.00 73.00 H new ATOM 0 HA GLU A 17 -2.319 15.045 -4.007 1.00 32.13 H new ATOM 0 HB2 GLU A 17 -0.568 15.005 -5.598 1.00 22.52 H new ATOM 0 HB3 GLU A 17 -0.233 13.304 -5.339 1.00 22.52 H new ATOM 0 HG2 GLU A 17 -2.352 12.734 -6.544 1.00 51.13 H new ATOM 0 HG3 GLU A 17 -2.608 14.439 -6.856 1.00 51.13 H new ATOM 277 N LEU A 18 -2.768 11.845 -3.608 1.00 60.23 N ATOM 278 CA LEU A 18 -3.843 10.874 -3.407 1.00 33.11 C ATOM 279 C LEU A 18 -4.768 11.374 -2.302 1.00 64.12 C ATOM 280 O LEU A 18 -4.335 12.107 -1.408 1.00 12.22 O ATOM 281 CB LEU A 18 -3.285 9.513 -2.969 1.00 63.10 C ATOM 282 CG LEU A 18 -3.230 8.413 -4.038 1.00 30.10 C ATOM 283 CD1 LEU A 18 -4.584 7.937 -4.534 1.00 11.25 C ATOM 284 CD2 LEU A 18 -2.291 8.757 -5.194 1.00 43.13 C ATOM 0 H LEU A 18 -1.841 11.505 -3.351 1.00 60.23 H new ATOM 0 HA LEU A 18 -4.376 10.760 -4.351 1.00 33.11 H new ATOM 0 HB2 LEU A 18 -2.276 9.666 -2.587 1.00 63.10 H new ATOM 0 HB3 LEU A 18 -3.889 9.149 -2.138 1.00 63.10 H new ATOM 0 HG LEU A 18 -2.804 7.558 -3.512 1.00 30.10 H new ATOM 0 HD11 LEU A 18 -4.444 7.161 -5.286 1.00 11.25 H new ATOM 0 HD12 LEU A 18 -5.156 7.534 -3.699 1.00 11.25 H new ATOM 0 HD13 LEU A 18 -5.125 8.775 -4.974 1.00 11.25 H new ATOM 0 HD21 LEU A 18 -2.293 7.943 -5.919 1.00 43.13 H new ATOM 0 HD22 LEU A 18 -2.629 9.674 -5.677 1.00 43.13 H new ATOM 0 HD23 LEU A 18 -1.280 8.900 -4.812 1.00 43.13 H new ATOM 296 N SER A 19 -5.978 10.826 -2.260 1.00 13.24 N ATOM 297 CA SER A 19 -6.895 11.046 -1.137 1.00 23.44 C ATOM 298 C SER A 19 -6.849 9.841 -0.202 1.00 23.21 C ATOM 299 O SER A 19 -5.935 9.020 -0.281 1.00 34.34 O ATOM 300 CB SER A 19 -8.315 11.418 -1.582 1.00 53.43 C ATOM 301 OG SER A 19 -8.279 12.526 -2.451 1.00 12.43 O ATOM 0 H SER A 19 -6.352 10.223 -2.993 1.00 13.24 H new ATOM 0 HA SER A 19 -6.556 11.920 -0.581 1.00 23.44 H new ATOM 0 HB2 SER A 19 -8.781 10.569 -2.083 1.00 53.43 H new ATOM 0 HB3 SER A 19 -8.928 11.650 -0.711 1.00 53.43 H new ATOM 0 HG SER A 19 -8.193 12.214 -3.376 1.00 12.43 H new ATOM 307 N ASP A 20 -7.739 9.799 0.780 1.00 41.44 N ATOM 308 CA ASP A 20 -7.792 8.823 1.861 1.00 30.53 C ATOM 309 C ASP A 20 -8.198 7.468 1.285 1.00 63.42 C ATOM 310 O ASP A 20 -7.340 6.602 1.099 1.00 14.13 O ATOM 311 CB ASP A 20 -8.728 9.317 2.987 1.00 73.21 C ATOM 312 CG ASP A 20 -9.999 9.956 2.427 1.00 15.23 C ATOM 313 OD1 ASP A 20 -9.890 11.131 1.999 1.00 41.15 O ATOM 314 OD2 ASP A 20 -11.012 9.250 2.233 1.00 44.42 O ATOM 0 H ASP A 20 -8.489 10.487 0.848 1.00 41.44 H new ATOM 0 HA ASP A 20 -6.810 8.703 2.320 1.00 30.53 H new ATOM 0 HB2 ASP A 20 -8.995 8.480 3.631 1.00 73.21 H new ATOM 0 HB3 ASP A 20 -8.200 10.041 3.608 1.00 73.21 H new ATOM 319 N ALA A 21 -9.472 7.299 0.922 1.00 15.53 N ATOM 320 CA ALA A 21 -9.984 6.073 0.331 1.00 74.40 C ATOM 321 C ALA A 21 -9.275 5.734 -0.981 1.00 52.42 C ATOM 322 O ALA A 21 -9.237 4.570 -1.355 1.00 23.44 O ATOM 323 CB ALA A 21 -11.484 6.216 0.066 1.00 1.11 C ATOM 0 H ALA A 21 -10.181 8.023 1.034 1.00 15.53 H new ATOM 0 HA ALA A 21 -9.798 5.264 1.038 1.00 74.40 H new ATOM 0 HB1 ALA A 21 -11.865 5.296 -0.377 1.00 1.11 H new ATOM 0 HB2 ALA A 21 -12.003 6.408 1.005 1.00 1.11 H new ATOM 0 HB3 ALA A 21 -11.655 7.046 -0.619 1.00 1.11 H new ATOM 329 N GLU A 22 -8.728 6.731 -1.683 1.00 10.05 N ATOM 330 CA GLU A 22 -7.972 6.543 -2.916 1.00 34.41 C ATOM 331 C GLU A 22 -6.587 5.939 -2.624 1.00 32.10 C ATOM 332 O GLU A 22 -6.167 4.999 -3.296 1.00 14.55 O ATOM 333 CB GLU A 22 -7.824 7.881 -3.653 1.00 2.41 C ATOM 334 CG GLU A 22 -9.118 8.594 -4.049 1.00 15.20 C ATOM 335 CD GLU A 22 -8.820 9.815 -4.935 1.00 51.35 C ATOM 336 OE1 GLU A 22 -8.106 10.750 -4.492 1.00 53.32 O ATOM 337 OE2 GLU A 22 -9.308 9.860 -6.080 1.00 52.21 O ATOM 0 H GLU A 22 -8.802 7.709 -1.401 1.00 10.05 H new ATOM 0 HA GLU A 22 -8.519 5.847 -3.551 1.00 34.41 H new ATOM 0 HB2 GLU A 22 -7.244 8.554 -3.022 1.00 2.41 H new ATOM 0 HB3 GLU A 22 -7.240 7.709 -4.557 1.00 2.41 H new ATOM 0 HG2 GLU A 22 -9.771 7.903 -4.582 1.00 15.20 H new ATOM 0 HG3 GLU A 22 -9.653 8.911 -3.153 1.00 15.20 H new ATOM 344 N ALA A 23 -5.852 6.448 -1.624 1.00 42.40 N ATOM 345 CA ALA A 23 -4.544 5.890 -1.285 1.00 50.52 C ATOM 346 C ALA A 23 -4.722 4.454 -0.812 1.00 52.43 C ATOM 347 O ALA A 23 -3.933 3.578 -1.166 1.00 12.03 O ATOM 348 CB ALA A 23 -3.845 6.704 -0.189 1.00 31.12 C ATOM 0 H ALA A 23 -6.141 7.236 -1.044 1.00 42.40 H new ATOM 0 HA ALA A 23 -3.919 5.925 -2.177 1.00 50.52 H new ATOM 0 HB1 ALA A 23 -2.876 6.257 0.034 1.00 31.12 H new ATOM 0 HB2 ALA A 23 -3.701 7.729 -0.532 1.00 31.12 H new ATOM 0 HB3 ALA A 23 -4.460 6.706 0.711 1.00 31.12 H new ATOM 354 N ASN A 24 -5.764 4.230 -0.014 1.00 35.41 N ATOM 355 CA ASN A 24 -6.151 2.911 0.434 1.00 21.44 C ATOM 356 C ASN A 24 -6.504 2.059 -0.792 1.00 52.45 C ATOM 357 O ASN A 24 -6.034 0.930 -0.882 1.00 0.53 O ATOM 358 CB ASN A 24 -7.303 3.007 1.448 1.00 62.41 C ATOM 359 CG ASN A 24 -6.908 3.485 2.851 1.00 44.03 C ATOM 360 OD1 ASN A 24 -5.803 3.248 3.337 1.00 72.23 O ATOM 361 ND2 ASN A 24 -7.805 4.145 3.570 1.00 43.34 N ATOM 0 H ASN A 24 -6.365 4.974 0.339 1.00 35.41 H new ATOM 0 HA ASN A 24 -5.326 2.425 0.955 1.00 21.44 H new ATOM 0 HB2 ASN A 24 -8.058 3.685 1.051 1.00 62.41 H new ATOM 0 HB3 ASN A 24 -7.770 2.026 1.535 1.00 62.41 H new ATOM 0 HD21 ASN A 24 -7.576 4.451 4.516 1.00 43.34 H new ATOM 0 HD22 ASN A 24 -8.724 4.347 3.177 1.00 43.34 H new ATOM 368 N ALA A 25 -7.248 2.602 -1.767 1.00 32.40 N ATOM 369 CA ALA A 25 -7.660 1.901 -2.979 1.00 71.23 C ATOM 370 C ALA A 25 -6.486 1.314 -3.739 1.00 52.04 C ATOM 371 O ALA A 25 -6.536 0.125 -4.034 1.00 54.45 O ATOM 372 CB ALA A 25 -8.442 2.786 -3.947 1.00 53.13 C ATOM 0 H ALA A 25 -7.585 3.564 -1.728 1.00 32.40 H new ATOM 0 HA ALA A 25 -8.307 1.102 -2.617 1.00 71.23 H new ATOM 0 HB1 ALA A 25 -8.719 2.206 -4.827 1.00 53.13 H new ATOM 0 HB2 ALA A 25 -9.343 3.154 -3.457 1.00 53.13 H new ATOM 0 HB3 ALA A 25 -7.823 3.631 -4.249 1.00 53.13 H new ATOM 378 N LEU A 26 -5.449 2.094 -4.083 1.00 62.13 N ATOM 379 CA LEU A 26 -4.325 1.544 -4.838 1.00 62.20 C ATOM 380 C LEU A 26 -3.681 0.344 -4.129 1.00 44.30 C ATOM 381 O LEU A 26 -3.197 -0.567 -4.801 1.00 54.53 O ATOM 382 CB LEU A 26 -3.271 2.637 -5.053 1.00 31.54 C ATOM 383 CG LEU A 26 -3.631 3.707 -6.097 1.00 52.53 C ATOM 384 CD1 LEU A 26 -2.605 4.842 -6.033 1.00 53.22 C ATOM 385 CD2 LEU A 26 -3.598 3.087 -7.502 1.00 22.10 C ATOM 0 H LEU A 26 -5.370 3.085 -3.854 1.00 62.13 H new ATOM 0 HA LEU A 26 -4.711 1.193 -5.795 1.00 62.20 H new ATOM 0 HB2 LEU A 26 -3.086 3.132 -4.100 1.00 31.54 H new ATOM 0 HB3 LEU A 26 -2.336 2.162 -5.352 1.00 31.54 H new ATOM 0 HG LEU A 26 -4.629 4.093 -5.888 1.00 52.53 H new ATOM 0 HD11 LEU A 26 -2.857 5.603 -6.772 1.00 53.22 H new ATOM 0 HD12 LEU A 26 -2.615 5.286 -5.038 1.00 53.22 H new ATOM 0 HD13 LEU A 26 -1.611 4.447 -6.244 1.00 53.22 H new ATOM 0 HD21 LEU A 26 -3.853 3.847 -8.241 1.00 22.10 H new ATOM 0 HD22 LEU A 26 -2.599 2.703 -7.707 1.00 22.10 H new ATOM 0 HD23 LEU A 26 -4.319 2.271 -7.557 1.00 22.10 H new ATOM 397 N VAL A 27 -3.699 0.290 -2.795 1.00 74.45 N ATOM 398 CA VAL A 27 -3.297 -0.911 -2.070 1.00 60.15 C ATOM 399 C VAL A 27 -4.357 -2.003 -2.270 1.00 11.33 C ATOM 400 O VAL A 27 -4.030 -3.118 -2.680 1.00 33.22 O ATOM 401 CB VAL A 27 -3.033 -0.584 -0.585 1.00 70.11 C ATOM 402 CG1 VAL A 27 -2.645 -1.849 0.181 1.00 13.44 C ATOM 403 CG2 VAL A 27 -1.894 0.432 -0.424 1.00 2.41 C ATOM 0 H VAL A 27 -3.988 1.065 -2.198 1.00 74.45 H new ATOM 0 HA VAL A 27 -2.357 -1.294 -2.466 1.00 60.15 H new ATOM 0 HB VAL A 27 -3.956 -0.162 -0.186 1.00 70.11 H new ATOM 0 HG11 VAL A 27 -2.462 -1.600 1.226 1.00 13.44 H new ATOM 0 HG12 VAL A 27 -3.455 -2.576 0.117 1.00 13.44 H new ATOM 0 HG13 VAL A 27 -1.741 -2.275 -0.254 1.00 13.44 H new ATOM 0 HG21 VAL A 27 -1.737 0.638 0.635 1.00 2.41 H new ATOM 0 HG22 VAL A 27 -0.979 0.024 -0.854 1.00 2.41 H new ATOM 0 HG23 VAL A 27 -2.156 1.357 -0.938 1.00 2.41 H new ATOM 413 N TRP A 28 -5.626 -1.697 -2.001 1.00 34.53 N ATOM 414 CA TRP A 28 -6.731 -2.645 -2.035 1.00 41.51 C ATOM 415 C TRP A 28 -6.874 -3.345 -3.388 1.00 54.42 C ATOM 416 O TRP A 28 -7.121 -4.555 -3.397 1.00 52.42 O ATOM 417 CB TRP A 28 -8.027 -1.943 -1.613 1.00 0.53 C ATOM 418 CG TRP A 28 -8.058 -1.369 -0.221 1.00 62.21 C ATOM 419 CD1 TRP A 28 -7.158 -1.602 0.767 1.00 42.13 C ATOM 420 CD2 TRP A 28 -9.042 -0.455 0.358 1.00 40.54 C ATOM 421 NE1 TRP A 28 -7.529 -0.918 1.905 1.00 4.02 N ATOM 422 CE2 TRP A 28 -8.725 -0.264 1.735 1.00 54.42 C ATOM 423 CE3 TRP A 28 -10.175 0.230 -0.133 1.00 21.23 C ATOM 424 CZ2 TRP A 28 -9.520 0.502 2.599 1.00 34.33 C ATOM 425 CZ3 TRP A 28 -10.949 1.050 0.712 1.00 41.51 C ATOM 426 CH2 TRP A 28 -10.640 1.168 2.078 1.00 15.41 C ATOM 0 H TRP A 28 -5.918 -0.754 -1.746 1.00 34.53 H new ATOM 0 HA TRP A 28 -6.512 -3.439 -1.321 1.00 41.51 H new ATOM 0 HB2 TRP A 28 -8.223 -1.136 -2.319 1.00 0.53 H new ATOM 0 HB3 TRP A 28 -8.847 -2.655 -1.707 1.00 0.53 H new ATOM 0 HD1 TRP A 28 -6.283 -2.229 0.676 1.00 42.13 H new ATOM 0 HE1 TRP A 28 -6.983 -0.900 2.766 1.00 4.02 H new ATOM 0 HE3 TRP A 28 -10.452 0.124 -1.171 1.00 21.23 H new ATOM 0 HZ2 TRP A 28 -9.275 0.578 3.648 1.00 34.33 H new ATOM 0 HZ3 TRP A 28 -11.789 1.594 0.306 1.00 41.51 H new ATOM 0 HH2 TRP A 28 -11.262 1.769 2.724 1.00 15.41 H new ATOM 437 N GLN A 29 -6.672 -2.644 -4.510 1.00 44.31 N ATOM 438 CA GLN A 29 -6.663 -3.244 -5.843 1.00 22.14 C ATOM 439 C GLN A 29 -5.575 -4.311 -5.959 1.00 64.32 C ATOM 440 O GLN A 29 -5.817 -5.385 -6.505 1.00 54.41 O ATOM 441 CB GLN A 29 -6.537 -2.185 -6.956 1.00 1.23 C ATOM 442 CG GLN A 29 -5.335 -1.262 -6.896 1.00 44.11 C ATOM 443 CD GLN A 29 -5.123 -0.467 -8.179 1.00 71.10 C ATOM 444 OE1 GLN A 29 -4.064 -0.522 -8.800 1.00 3.41 O ATOM 445 NE2 GLN A 29 -6.118 0.254 -8.651 1.00 22.15 N ATOM 0 H GLN A 29 -6.509 -1.637 -4.515 1.00 44.31 H new ATOM 0 HA GLN A 29 -7.627 -3.733 -5.982 1.00 22.14 H new ATOM 0 HB2 GLN A 29 -6.519 -2.702 -7.915 1.00 1.23 H new ATOM 0 HB3 GLN A 29 -7.437 -1.570 -6.942 1.00 1.23 H new ATOM 0 HG2 GLN A 29 -5.458 -0.569 -6.063 1.00 44.11 H new ATOM 0 HG3 GLN A 29 -4.442 -1.852 -6.690 1.00 44.11 H new ATOM 0 HE21 GLN A 29 -6.999 0.303 -8.140 1.00 22.15 H new ATOM 0 HE22 GLN A 29 -6.008 0.763 -9.528 1.00 22.15 H new ATOM 454 N ALA A 30 -4.373 -4.027 -5.452 1.00 74.34 N ATOM 455 CA ALA A 30 -3.234 -4.919 -5.585 1.00 73.04 C ATOM 456 C ALA A 30 -3.441 -6.216 -4.808 1.00 14.32 C ATOM 457 O ALA A 30 -3.047 -7.273 -5.312 1.00 13.41 O ATOM 458 CB ALA A 30 -1.958 -4.222 -5.125 1.00 54.13 C ATOM 0 H ALA A 30 -4.169 -3.170 -4.938 1.00 74.34 H new ATOM 0 HA ALA A 30 -3.137 -5.177 -6.639 1.00 73.04 H new ATOM 0 HB1 ALA A 30 -1.113 -4.903 -5.231 1.00 54.13 H new ATOM 0 HB2 ALA A 30 -1.788 -3.335 -5.735 1.00 54.13 H new ATOM 0 HB3 ALA A 30 -2.060 -3.929 -4.080 1.00 54.13 H new ATOM 464 N LEU A 31 -4.040 -6.162 -3.610 1.00 24.35 N ATOM 465 CA LEU A 31 -4.496 -7.382 -2.949 1.00 0.12 C ATOM 466 C LEU A 31 -5.568 -8.016 -3.821 1.00 62.45 C ATOM 467 O LEU A 31 -5.452 -9.182 -4.189 1.00 24.43 O ATOM 468 CB LEU A 31 -5.040 -7.141 -1.533 1.00 74.34 C ATOM 469 CG LEU A 31 -4.028 -6.744 -0.441 1.00 45.43 C ATOM 470 CD1 LEU A 31 -2.685 -7.421 -0.601 1.00 34.30 C ATOM 471 CD2 LEU A 31 -3.918 -5.227 -0.294 1.00 33.01 C ATOM 0 H LEU A 31 -4.215 -5.302 -3.091 1.00 24.35 H new ATOM 0 HA LEU A 31 -3.638 -8.043 -2.829 1.00 0.12 H new ATOM 0 HB2 LEU A 31 -5.796 -6.358 -1.592 1.00 74.34 H new ATOM 0 HB3 LEU A 31 -5.547 -8.050 -1.208 1.00 74.34 H new ATOM 0 HG LEU A 31 -4.426 -7.121 0.501 1.00 45.43 H new ATOM 0 HD11 LEU A 31 -2.018 -7.099 0.199 1.00 34.30 H new ATOM 0 HD12 LEU A 31 -2.815 -8.502 -0.553 1.00 34.30 H new ATOM 0 HD13 LEU A 31 -2.253 -7.150 -1.564 1.00 34.30 H new ATOM 0 HD21 LEU A 31 -3.195 -4.989 0.486 1.00 33.01 H new ATOM 0 HD22 LEU A 31 -3.590 -4.793 -1.238 1.00 33.01 H new ATOM 0 HD23 LEU A 31 -4.891 -4.816 -0.024 1.00 33.01 H new ATOM 483 N GLY A 32 -6.576 -7.230 -4.192 1.00 22.34 N ATOM 484 CA GLY A 32 -7.673 -7.634 -5.049 1.00 24.25 C ATOM 485 C GLY A 32 -9.019 -7.526 -4.345 1.00 32.33 C ATOM 486 O GLY A 32 -9.915 -8.268 -4.739 1.00 1.00 O ATOM 0 H GLY A 32 -6.648 -6.259 -3.889 1.00 22.34 H new ATOM 0 HA2 GLY A 32 -7.681 -7.012 -5.944 1.00 24.25 H new ATOM 0 HA3 GLY A 32 -7.517 -8.662 -5.377 1.00 24.25 H new ATOM 490 N TYR A 33 -9.163 -6.680 -3.309 1.00 11.25 N ATOM 491 CA TYR A 33 -10.386 -6.619 -2.501 1.00 10.13 C ATOM 492 C TYR A 33 -11.582 -6.285 -3.388 1.00 71.24 C ATOM 493 O TYR A 33 -12.358 -7.176 -3.678 1.00 43.24 O ATOM 494 CB TYR A 33 -10.286 -5.662 -1.304 1.00 52.31 C ATOM 495 CG TYR A 33 -9.468 -6.187 -0.139 1.00 2.15 C ATOM 496 CD1 TYR A 33 -10.069 -6.963 0.876 1.00 70.23 C ATOM 497 CD2 TYR A 33 -8.107 -5.858 -0.043 1.00 41.43 C ATOM 498 CE1 TYR A 33 -9.317 -7.409 1.982 1.00 54.13 C ATOM 499 CE2 TYR A 33 -7.345 -6.307 1.046 1.00 63.44 C ATOM 500 CZ TYR A 33 -7.943 -7.082 2.064 1.00 4.32 C ATOM 501 OH TYR A 33 -7.171 -7.476 3.112 1.00 75.11 O ATOM 0 H TYR A 33 -8.439 -6.026 -3.013 1.00 11.25 H new ATOM 0 HA TYR A 33 -10.528 -7.608 -2.065 1.00 10.13 H new ATOM 0 HB2 TYR A 33 -9.849 -4.723 -1.643 1.00 52.31 H new ATOM 0 HB3 TYR A 33 -11.292 -5.437 -0.951 1.00 52.31 H new ATOM 0 HD1 TYR A 33 -11.116 -7.218 0.804 1.00 70.23 H new ATOM 0 HD2 TYR A 33 -7.644 -5.256 -0.811 1.00 41.43 H new ATOM 0 HE1 TYR A 33 -9.785 -7.995 2.759 1.00 54.13 H new ATOM 0 HE2 TYR A 33 -6.296 -6.059 1.106 1.00 63.44 H new ATOM 0 HH TYR A 33 -6.992 -8.437 3.044 1.00 75.11 H new ATOM 511 N VAL A 34 -11.655 -5.074 -3.951 1.00 14.14 N ATOM 512 CA VAL A 34 -12.750 -4.504 -4.731 1.00 42.33 C ATOM 513 C VAL A 34 -14.095 -4.498 -3.986 1.00 33.30 C ATOM 514 O VAL A 34 -14.562 -5.516 -3.481 1.00 25.04 O ATOM 515 CB VAL A 34 -12.822 -5.274 -6.052 1.00 64.23 C ATOM 516 CG1 VAL A 34 -13.892 -4.754 -7.004 1.00 63.44 C ATOM 517 CG2 VAL A 34 -11.468 -5.343 -6.773 1.00 14.11 C ATOM 0 H VAL A 34 -10.882 -4.415 -3.863 1.00 14.14 H new ATOM 0 HA VAL A 34 -12.546 -3.449 -4.916 1.00 42.33 H new ATOM 0 HB VAL A 34 -13.108 -6.284 -5.760 1.00 64.23 H new ATOM 0 HG11 VAL A 34 -13.885 -5.347 -7.918 1.00 63.44 H new ATOM 0 HG12 VAL A 34 -14.870 -4.831 -6.529 1.00 63.44 H new ATOM 0 HG13 VAL A 34 -13.688 -3.711 -7.246 1.00 63.44 H new ATOM 0 HG21 VAL A 34 -11.579 -5.900 -7.703 1.00 14.11 H new ATOM 0 HG22 VAL A 34 -11.122 -4.333 -6.994 1.00 14.11 H new ATOM 0 HG23 VAL A 34 -10.741 -5.844 -6.134 1.00 14.11 H new ATOM 527 N TRP A 35 -14.730 -3.327 -3.926 1.00 23.41 N ATOM 528 CA TRP A 35 -16.114 -3.203 -3.499 1.00 11.14 C ATOM 529 C TRP A 35 -16.995 -3.788 -4.600 1.00 54.44 C ATOM 530 O TRP A 35 -17.028 -3.257 -5.716 1.00 4.10 O ATOM 531 CB TRP A 35 -16.429 -1.731 -3.224 1.00 61.43 C ATOM 532 CG TRP A 35 -17.865 -1.436 -2.945 1.00 63.12 C ATOM 533 CD1 TRP A 35 -18.783 -1.091 -3.874 1.00 30.13 C ATOM 534 CD2 TRP A 35 -18.572 -1.479 -1.674 1.00 53.33 C ATOM 535 NE1 TRP A 35 -20.008 -0.909 -3.269 1.00 40.13 N ATOM 536 CE2 TRP A 35 -19.946 -1.182 -1.919 1.00 23.24 C ATOM 537 CE3 TRP A 35 -18.196 -1.756 -0.344 1.00 63.10 C ATOM 538 CZ2 TRP A 35 -20.903 -1.176 -0.894 1.00 44.43 C ATOM 539 CZ3 TRP A 35 -19.138 -1.708 0.699 1.00 21.22 C ATOM 540 CH2 TRP A 35 -20.486 -1.416 0.426 1.00 45.14 C ATOM 0 H TRP A 35 -14.294 -2.439 -4.174 1.00 23.41 H new ATOM 0 HA TRP A 35 -16.301 -3.749 -2.574 1.00 11.14 H new ATOM 0 HB2 TRP A 35 -15.833 -1.400 -2.373 1.00 61.43 H new ATOM 0 HB3 TRP A 35 -16.112 -1.140 -4.084 1.00 61.43 H new ATOM 0 HD1 TRP A 35 -18.587 -0.975 -4.930 1.00 30.13 H new ATOM 0 HE1 TRP A 35 -20.852 -0.611 -3.757 1.00 40.13 H new ATOM 0 HE3 TRP A 35 -17.170 -2.009 -0.123 1.00 63.10 H new ATOM 0 HZ2 TRP A 35 -21.944 -0.990 -1.116 1.00 44.43 H new ATOM 0 HZ3 TRP A 35 -18.824 -1.896 1.715 1.00 21.22 H new ATOM 0 HH2 TRP A 35 -21.203 -1.376 1.233 1.00 45.14 H new ATOM 551 N ASP A 36 -17.658 -4.903 -4.310 1.00 53.54 N ATOM 552 CA ASP A 36 -18.648 -5.533 -5.171 1.00 70.21 C ATOM 553 C ASP A 36 -19.981 -4.855 -4.877 1.00 32.32 C ATOM 554 O ASP A 36 -20.610 -5.138 -3.858 1.00 13.23 O ATOM 555 CB ASP A 36 -18.704 -7.047 -4.896 1.00 42.14 C ATOM 556 CG ASP A 36 -19.081 -7.856 -6.135 1.00 14.44 C ATOM 557 OD1 ASP A 36 -19.745 -7.308 -7.041 1.00 63.45 O ATOM 558 OD2 ASP A 36 -18.613 -9.012 -6.265 1.00 22.44 O ATOM 0 H ASP A 36 -17.514 -5.410 -3.437 1.00 53.54 H new ATOM 0 HA ASP A 36 -18.395 -5.417 -6.225 1.00 70.21 H new ATOM 0 HB2 ASP A 36 -17.734 -7.382 -4.529 1.00 42.14 H new ATOM 0 HB3 ASP A 36 -19.428 -7.242 -4.105 1.00 42.14 H new ATOM 563 N GLU A 37 -20.375 -3.882 -5.691 1.00 55.43 N ATOM 564 CA GLU A 37 -21.511 -3.005 -5.417 1.00 62.31 C ATOM 565 C GLU A 37 -22.839 -3.760 -5.411 1.00 41.20 C ATOM 566 O GLU A 37 -23.752 -3.358 -4.690 1.00 51.04 O ATOM 567 CB GLU A 37 -21.510 -1.850 -6.430 1.00 11.51 C ATOM 568 CG GLU A 37 -22.600 -0.799 -6.174 1.00 30.31 C ATOM 569 CD GLU A 37 -22.584 0.309 -7.225 1.00 53.41 C ATOM 570 OE1 GLU A 37 -22.561 0.008 -8.439 1.00 21.12 O ATOM 571 OE2 GLU A 37 -22.610 1.495 -6.823 1.00 33.42 O ATOM 0 H GLU A 37 -19.908 -3.676 -6.574 1.00 55.43 H new ATOM 0 HA GLU A 37 -21.402 -2.597 -4.412 1.00 62.31 H new ATOM 0 HB2 GLU A 37 -20.536 -1.362 -6.409 1.00 11.51 H new ATOM 0 HB3 GLU A 37 -21.640 -2.258 -7.432 1.00 11.51 H new ATOM 0 HG2 GLU A 37 -23.577 -1.283 -6.172 1.00 30.31 H new ATOM 0 HG3 GLU A 37 -22.458 -0.363 -5.185 1.00 30.31 H new ATOM 578 N ALA A 38 -22.942 -4.865 -6.151 1.00 73.45 N ATOM 579 CA ALA A 38 -24.131 -5.705 -6.138 1.00 31.25 C ATOM 580 C ALA A 38 -24.322 -6.299 -4.742 1.00 41.33 C ATOM 581 O ALA A 38 -25.413 -6.234 -4.166 1.00 44.55 O ATOM 582 CB ALA A 38 -24.000 -6.819 -7.180 1.00 33.31 C ATOM 0 H ALA A 38 -22.205 -5.198 -6.772 1.00 73.45 H new ATOM 0 HA ALA A 38 -25.003 -5.100 -6.389 1.00 31.25 H new ATOM 0 HB1 ALA A 38 -24.895 -7.441 -7.162 1.00 33.31 H new ATOM 0 HB2 ALA A 38 -23.884 -6.379 -8.170 1.00 33.31 H new ATOM 0 HB3 ALA A 38 -23.128 -7.431 -6.951 1.00 33.31 H new ATOM 588 N GLN A 39 -23.252 -6.868 -4.186 1.00 2.41 N ATOM 589 CA GLN A 39 -23.298 -7.537 -2.893 1.00 44.40 C ATOM 590 C GLN A 39 -23.096 -6.530 -1.757 1.00 4.22 C ATOM 591 O GLN A 39 -23.299 -6.853 -0.585 1.00 33.51 O ATOM 592 CB GLN A 39 -22.274 -8.679 -2.852 1.00 71.52 C ATOM 593 CG GLN A 39 -22.612 -9.764 -3.878 1.00 51.12 C ATOM 594 CD GLN A 39 -21.634 -10.929 -3.835 1.00 30.14 C ATOM 595 OE1 GLN A 39 -21.376 -11.524 -2.788 1.00 54.34 O ATOM 596 NE2 GLN A 39 -21.080 -11.303 -4.976 1.00 34.11 N ATOM 0 H GLN A 39 -22.330 -6.876 -4.623 1.00 2.41 H new ATOM 0 HA GLN A 39 -24.284 -7.979 -2.751 1.00 44.40 H new ATOM 0 HB2 GLN A 39 -21.278 -8.285 -3.051 1.00 71.52 H new ATOM 0 HB3 GLN A 39 -22.251 -9.114 -1.853 1.00 71.52 H new ATOM 0 HG2 GLN A 39 -23.621 -10.133 -3.693 1.00 51.12 H new ATOM 0 HG3 GLN A 39 -22.610 -9.328 -4.877 1.00 51.12 H new ATOM 0 HE21 GLN A 39 -21.300 -10.804 -5.838 1.00 34.11 H new ATOM 0 HE22 GLN A 39 -20.432 -12.091 -4.994 1.00 34.11 H new ATOM 605 N SER A 40 -22.738 -5.295 -2.107 1.00 14.52 N ATOM 606 CA SER A 40 -22.384 -4.205 -1.235 1.00 63.42 C ATOM 607 C SER A 40 -21.277 -4.608 -0.258 1.00 13.33 C ATOM 608 O SER A 40 -21.322 -4.214 0.906 1.00 44.23 O ATOM 609 CB SER A 40 -23.634 -3.648 -0.544 1.00 4.13 C ATOM 610 OG SER A 40 -24.712 -3.477 -1.450 1.00 73.12 O ATOM 0 H SER A 40 -22.688 -5.022 -3.089 1.00 14.52 H new ATOM 0 HA SER A 40 -21.967 -3.394 -1.832 1.00 63.42 H new ATOM 0 HB2 SER A 40 -23.937 -4.323 0.256 1.00 4.13 H new ATOM 0 HB3 SER A 40 -23.395 -2.691 -0.080 1.00 4.13 H new ATOM 0 HG SER A 40 -25.489 -3.122 -0.970 1.00 73.12 H new ATOM 616 N CYS A 41 -20.316 -5.433 -0.682 1.00 41.33 N ATOM 617 CA CYS A 41 -19.224 -5.835 0.191 1.00 34.13 C ATOM 618 C CYS A 41 -17.957 -6.126 -0.594 1.00 13.12 C ATOM 619 O CYS A 41 -17.958 -6.282 -1.814 1.00 73.14 O ATOM 620 CB CYS A 41 -19.614 -7.051 1.044 1.00 74.24 C ATOM 621 SG CYS A 41 -18.838 -6.959 2.683 1.00 52.20 S ATOM 0 H CYS A 41 -20.277 -5.831 -1.620 1.00 41.33 H new ATOM 0 HA CYS A 41 -19.022 -4.996 0.857 1.00 34.13 H new ATOM 0 HB2 CYS A 41 -20.698 -7.094 1.151 1.00 74.24 H new ATOM 0 HB3 CYS A 41 -19.307 -7.968 0.541 1.00 74.24 H new ATOM 0 HG CYS A 41 -19.184 -7.996 3.386 1.00 52.20 H new ATOM 627 N TRP A 42 -16.881 -6.208 0.165 1.00 23.04 N ATOM 628 CA TRP A 42 -15.509 -6.329 -0.290 1.00 54.04 C ATOM 629 C TRP A 42 -15.240 -7.760 -0.734 1.00 73.14 C ATOM 630 O TRP A 42 -15.330 -8.676 0.090 1.00 5.14 O ATOM 631 CB TRP A 42 -14.616 -5.929 0.885 1.00 64.53 C ATOM 632 CG TRP A 42 -14.807 -4.501 1.296 1.00 51.30 C ATOM 633 CD1 TRP A 42 -15.403 -4.050 2.427 1.00 30.43 C ATOM 634 CD2 TRP A 42 -14.394 -3.313 0.564 1.00 30.25 C ATOM 635 NE1 TRP A 42 -15.333 -2.669 2.467 1.00 41.13 N ATOM 636 CE2 TRP A 42 -14.696 -2.166 1.352 1.00 4.44 C ATOM 637 CE3 TRP A 42 -13.756 -3.102 -0.675 1.00 22.51 C ATOM 638 CZ2 TRP A 42 -14.331 -0.874 0.949 1.00 34.22 C ATOM 639 CZ3 TRP A 42 -13.421 -1.806 -1.107 1.00 63.01 C ATOM 640 CH2 TRP A 42 -13.709 -0.693 -0.298 1.00 13.10 C ATOM 0 H TRP A 42 -16.946 -6.191 1.183 1.00 23.04 H new ATOM 0 HA TRP A 42 -15.309 -5.685 -1.146 1.00 54.04 H new ATOM 0 HB2 TRP A 42 -14.827 -6.579 1.734 1.00 64.53 H new ATOM 0 HB3 TRP A 42 -13.572 -6.088 0.614 1.00 64.53 H new ATOM 0 HD1 TRP A 42 -15.862 -4.673 3.181 1.00 30.43 H new ATOM 0 HE1 TRP A 42 -15.705 -2.096 3.224 1.00 41.13 H new ATOM 0 HE3 TRP A 42 -13.521 -3.949 -1.303 1.00 22.51 H new ATOM 0 HZ2 TRP A 42 -14.526 -0.027 1.590 1.00 34.22 H new ATOM 0 HZ3 TRP A 42 -12.941 -1.665 -2.064 1.00 63.01 H new ATOM 0 HH2 TRP A 42 -13.452 0.301 -0.635 1.00 13.10 H new ATOM 651 N LYS A 43 -14.934 -7.990 -2.016 1.00 41.33 N ATOM 652 CA LYS A 43 -14.578 -9.316 -2.464 1.00 13.14 C ATOM 653 C LYS A 43 -13.312 -9.772 -1.750 1.00 44.54 C ATOM 654 O LYS A 43 -12.421 -8.989 -1.419 1.00 15.01 O ATOM 655 CB LYS A 43 -14.375 -9.281 -3.981 1.00 33.22 C ATOM 656 CG LYS A 43 -15.587 -9.799 -4.712 1.00 50.11 C ATOM 657 CD LYS A 43 -15.329 -9.856 -6.218 1.00 63.50 C ATOM 658 CE LYS A 43 -15.385 -8.465 -6.863 1.00 71.42 C ATOM 659 NZ LYS A 43 -14.438 -8.381 -7.992 1.00 4.33 N ATOM 0 H LYS A 43 -14.929 -7.276 -2.744 1.00 41.33 H new ATOM 0 HA LYS A 43 -15.371 -10.026 -2.230 1.00 13.14 H new ATOM 0 HB2 LYS A 43 -14.167 -8.259 -4.298 1.00 33.22 H new ATOM 0 HB3 LYS A 43 -13.504 -9.881 -4.247 1.00 33.22 H new ATOM 0 HG2 LYS A 43 -15.842 -10.793 -4.344 1.00 50.11 H new ATOM 0 HG3 LYS A 43 -16.443 -9.155 -4.509 1.00 50.11 H new ATOM 0 HD2 LYS A 43 -14.352 -10.302 -6.402 1.00 63.50 H new ATOM 0 HD3 LYS A 43 -16.069 -10.504 -6.688 1.00 63.50 H new ATOM 0 HE2 LYS A 43 -16.397 -8.260 -7.213 1.00 71.42 H new ATOM 0 HE3 LYS A 43 -15.144 -7.704 -6.121 1.00 71.42 H new ATOM 0 HZ1 LYS A 43 -14.488 -7.433 -8.418 1.00 4.33 H new ATOM 0 HZ2 LYS A 43 -13.472 -8.556 -7.649 1.00 4.33 H new ATOM 0 HZ3 LYS A 43 -14.686 -9.095 -8.707 1.00 4.33 H new ATOM 673 N THR A 44 -13.176 -11.084 -1.639 1.00 74.05 N ATOM 674 CA THR A 44 -11.983 -11.731 -1.112 1.00 54.00 C ATOM 675 C THR A 44 -11.563 -12.879 -2.041 1.00 40.00 C ATOM 676 O THR A 44 -10.683 -13.672 -1.713 1.00 45.35 O ATOM 677 CB THR A 44 -12.249 -12.151 0.347 1.00 61.10 C ATOM 678 OG1 THR A 44 -13.470 -12.856 0.425 1.00 31.13 O ATOM 679 CG2 THR A 44 -12.324 -10.949 1.301 1.00 41.25 C ATOM 0 H THR A 44 -13.904 -11.742 -1.917 1.00 74.05 H new ATOM 0 HA THR A 44 -11.133 -11.050 -1.088 1.00 54.00 H new ATOM 0 HB THR A 44 -11.412 -12.779 0.652 1.00 61.10 H new ATOM 0 HG1 THR A 44 -13.635 -13.123 1.353 1.00 31.13 H new ATOM 0 HG21 THR A 44 -12.513 -11.301 2.315 1.00 41.25 H new ATOM 0 HG22 THR A 44 -11.380 -10.405 1.276 1.00 41.25 H new ATOM 0 HG23 THR A 44 -13.133 -10.287 0.990 1.00 41.25 H new ATOM 687 N ASP A 45 -12.181 -12.981 -3.226 1.00 23.13 N ATOM 688 CA ASP A 45 -11.911 -14.001 -4.231 1.00 72.33 C ATOM 689 C ASP A 45 -10.498 -13.810 -4.752 1.00 44.03 C ATOM 690 O ASP A 45 -9.691 -14.736 -4.767 1.00 34.44 O ATOM 691 CB ASP A 45 -12.903 -13.875 -5.404 1.00 75.02 C ATOM 692 CG ASP A 45 -14.136 -14.764 -5.254 1.00 60.35 C ATOM 693 OD1 ASP A 45 -13.994 -15.906 -4.777 1.00 14.24 O ATOM 694 OD2 ASP A 45 -15.244 -14.330 -5.652 1.00 23.20 O ATOM 0 H ASP A 45 -12.909 -12.327 -3.515 1.00 23.13 H new ATOM 0 HA ASP A 45 -12.022 -14.987 -3.781 1.00 72.33 H new ATOM 0 HB2 ASP A 45 -13.222 -12.836 -5.491 1.00 75.02 H new ATOM 0 HB3 ASP A 45 -12.391 -14.130 -6.332 1.00 75.02 H new ATOM 699 N LEU A 46 -10.192 -12.579 -5.170 1.00 61.32 N ATOM 700 CA LEU A 46 -8.916 -12.266 -5.795 1.00 64.34 C ATOM 701 C LEU A 46 -7.795 -12.072 -4.769 1.00 2.34 C ATOM 702 O LEU A 46 -6.637 -11.930 -5.163 1.00 25.10 O ATOM 703 CB LEU A 46 -9.042 -11.036 -6.710 1.00 5.01 C ATOM 704 CG LEU A 46 -10.012 -11.224 -7.891 1.00 61.01 C ATOM 705 CD1 LEU A 46 -10.085 -9.949 -8.731 1.00 22.42 C ATOM 706 CD2 LEU A 46 -9.583 -12.375 -8.801 1.00 3.01 C ATOM 0 H LEU A 46 -10.821 -11.780 -5.083 1.00 61.32 H new ATOM 0 HA LEU A 46 -8.641 -13.126 -6.405 1.00 64.34 H new ATOM 0 HB2 LEU A 46 -9.374 -10.186 -6.114 1.00 5.01 H new ATOM 0 HB3 LEU A 46 -8.056 -10.785 -7.101 1.00 5.01 H new ATOM 0 HG LEU A 46 -10.988 -11.454 -7.464 1.00 61.01 H new ATOM 0 HD11 LEU A 46 -10.775 -10.099 -9.561 1.00 22.42 H new ATOM 0 HD12 LEU A 46 -10.437 -9.125 -8.111 1.00 22.42 H new ATOM 0 HD13 LEU A 46 -9.095 -9.713 -9.120 1.00 22.42 H new ATOM 0 HD21 LEU A 46 -10.294 -12.474 -9.622 1.00 3.01 H new ATOM 0 HD22 LEU A 46 -8.591 -12.171 -9.203 1.00 3.01 H new ATOM 0 HD23 LEU A 46 -9.558 -13.302 -8.228 1.00 3.01 H new ATOM 718 N VAL A 47 -8.129 -12.024 -3.477 1.00 0.10 N ATOM 719 CA VAL A 47 -7.218 -11.699 -2.390 1.00 64.11 C ATOM 720 C VAL A 47 -6.486 -12.977 -1.964 1.00 41.14 C ATOM 721 O VAL A 47 -7.043 -14.075 -2.032 1.00 41.44 O ATOM 722 CB VAL A 47 -8.020 -11.036 -1.246 1.00 35.10 C ATOM 723 CG1 VAL A 47 -7.129 -10.662 -0.056 1.00 22.41 C ATOM 724 CG2 VAL A 47 -8.721 -9.747 -1.715 1.00 60.11 C ATOM 0 H VAL A 47 -9.077 -12.218 -3.153 1.00 0.10 H new ATOM 0 HA VAL A 47 -6.457 -10.982 -2.699 1.00 64.11 H new ATOM 0 HB VAL A 47 -8.756 -11.780 -0.940 1.00 35.10 H new ATOM 0 HG11 VAL A 47 -7.736 -10.200 0.722 1.00 22.41 H new ATOM 0 HG12 VAL A 47 -6.654 -11.560 0.340 1.00 22.41 H new ATOM 0 HG13 VAL A 47 -6.362 -9.960 -0.382 1.00 22.41 H new ATOM 0 HG21 VAL A 47 -9.274 -9.310 -0.883 1.00 60.11 H new ATOM 0 HG22 VAL A 47 -7.975 -9.035 -2.068 1.00 60.11 H new ATOM 0 HG23 VAL A 47 -9.411 -9.982 -2.526 1.00 60.11 H new ATOM 734 N ALA A 48 -5.223 -12.837 -1.548 1.00 72.25 N ATOM 735 CA ALA A 48 -4.400 -13.934 -1.042 1.00 62.32 C ATOM 736 C ALA A 48 -4.997 -14.506 0.253 1.00 54.15 C ATOM 737 O ALA A 48 -5.673 -13.764 0.971 1.00 12.34 O ATOM 738 CB ALA A 48 -2.987 -13.404 -0.775 1.00 10.33 C ATOM 0 H ALA A 48 -4.737 -11.940 -1.555 1.00 72.25 H new ATOM 0 HA ALA A 48 -4.367 -14.733 -1.783 1.00 62.32 H new ATOM 0 HB1 ALA A 48 -2.361 -14.212 -0.397 1.00 10.33 H new ATOM 0 HB2 ALA A 48 -2.562 -13.019 -1.702 1.00 10.33 H new ATOM 0 HB3 ALA A 48 -3.032 -12.604 -0.036 1.00 10.33 H new ATOM 744 N PRO A 49 -4.685 -15.762 0.629 1.00 3.44 N ATOM 745 CA PRO A 49 -5.279 -16.394 1.798 1.00 20.42 C ATOM 746 C PRO A 49 -4.951 -15.615 3.062 1.00 64.43 C ATOM 747 O PRO A 49 -5.837 -15.435 3.887 1.00 15.45 O ATOM 748 CB PRO A 49 -4.764 -17.837 1.817 1.00 64.55 C ATOM 749 CG PRO A 49 -3.488 -17.798 0.977 1.00 1.01 C ATOM 750 CD PRO A 49 -3.763 -16.679 -0.026 1.00 4.34 C ATOM 0 HA PRO A 49 -6.368 -16.399 1.752 1.00 20.42 H new ATOM 0 HB2 PRO A 49 -4.560 -18.172 2.834 1.00 64.55 H new ATOM 0 HB3 PRO A 49 -5.496 -18.526 1.395 1.00 64.55 H new ATOM 0 HG2 PRO A 49 -2.611 -17.585 1.588 1.00 1.01 H new ATOM 0 HG3 PRO A 49 -3.305 -18.750 0.478 1.00 1.01 H new ATOM 0 HD2 PRO A 49 -2.840 -16.170 -0.304 1.00 4.34 H new ATOM 0 HD3 PRO A 49 -4.196 -17.077 -0.944 1.00 4.34 H new ATOM 758 N GLU A 50 -3.728 -15.098 3.215 1.00 3.24 N ATOM 759 CA GLU A 50 -3.407 -14.355 4.422 1.00 24.01 C ATOM 760 C GLU A 50 -4.161 -13.020 4.471 1.00 4.53 C ATOM 761 O GLU A 50 -4.547 -12.582 5.550 1.00 73.12 O ATOM 762 CB GLU A 50 -1.892 -14.196 4.572 1.00 11.44 C ATOM 763 CG GLU A 50 -1.240 -13.125 3.692 1.00 52.43 C ATOM 764 CD GLU A 50 0.215 -12.946 4.110 1.00 12.12 C ATOM 765 OE1 GLU A 50 0.488 -12.118 5.013 1.00 4.23 O ATOM 766 OE2 GLU A 50 1.078 -13.744 3.680 1.00 41.52 O ATOM 0 H GLU A 50 -2.970 -15.179 2.538 1.00 3.24 H new ATOM 0 HA GLU A 50 -3.749 -14.926 5.286 1.00 24.01 H new ATOM 0 HB2 GLU A 50 -1.672 -13.965 5.614 1.00 11.44 H new ATOM 0 HB3 GLU A 50 -1.422 -15.155 4.352 1.00 11.44 H new ATOM 0 HG2 GLU A 50 -1.296 -13.416 2.643 1.00 52.43 H new ATOM 0 HG3 GLU A 50 -1.777 -12.182 3.790 1.00 52.43 H new ATOM 773 N TRP A 51 -4.405 -12.372 3.329 1.00 15.24 N ATOM 774 CA TRP A 51 -5.031 -11.055 3.290 1.00 21.31 C ATOM 775 C TRP A 51 -6.556 -11.141 3.400 1.00 34.04 C ATOM 776 O TRP A 51 -7.203 -10.115 3.600 1.00 62.13 O ATOM 777 CB TRP A 51 -4.568 -10.307 2.035 1.00 74.32 C ATOM 778 CG TRP A 51 -3.181 -9.750 2.105 1.00 40.13 C ATOM 779 CD1 TRP A 51 -2.101 -10.222 1.449 1.00 31.21 C ATOM 780 CD2 TRP A 51 -2.717 -8.563 2.811 1.00 34.41 C ATOM 781 NE1 TRP A 51 -0.999 -9.442 1.728 1.00 73.13 N ATOM 782 CE2 TRP A 51 -1.326 -8.379 2.541 1.00 45.44 C ATOM 783 CE3 TRP A 51 -3.352 -7.604 3.625 1.00 74.41 C ATOM 784 CZ2 TRP A 51 -0.600 -7.283 3.041 1.00 72.00 C ATOM 785 CZ3 TRP A 51 -2.638 -6.504 4.123 1.00 72.02 C ATOM 786 CH2 TRP A 51 -1.273 -6.337 3.832 1.00 24.43 C ATOM 0 H TRP A 51 -4.173 -12.747 2.409 1.00 15.24 H new ATOM 0 HA TRP A 51 -4.711 -10.485 4.162 1.00 21.31 H new ATOM 0 HB2 TRP A 51 -4.628 -10.985 1.184 1.00 74.32 H new ATOM 0 HB3 TRP A 51 -5.262 -9.489 1.841 1.00 74.32 H new ATOM 0 HD1 TRP A 51 -2.100 -11.085 0.800 1.00 31.21 H new ATOM 0 HE1 TRP A 51 -0.060 -9.628 1.377 1.00 73.13 H new ATOM 0 HE3 TRP A 51 -4.398 -7.717 3.868 1.00 74.41 H new ATOM 0 HZ2 TRP A 51 0.452 -7.171 2.822 1.00 72.00 H new ATOM 0 HZ3 TRP A 51 -3.144 -5.775 4.739 1.00 72.02 H new ATOM 0 HH2 TRP A 51 -0.741 -5.480 4.217 1.00 24.43 H new ATOM 797 N ARG A 52 -7.147 -12.337 3.310 1.00 21.30 N ATOM 798 CA ARG A 52 -8.561 -12.570 3.583 1.00 3.53 C ATOM 799 C ARG A 52 -8.777 -13.439 4.822 1.00 25.54 C ATOM 800 O ARG A 52 -9.913 -13.772 5.139 1.00 53.44 O ATOM 801 CB ARG A 52 -9.237 -13.154 2.340 1.00 14.31 C ATOM 802 CG ARG A 52 -8.871 -14.618 2.058 1.00 42.30 C ATOM 803 CD ARG A 52 -9.420 -15.042 0.696 1.00 73.05 C ATOM 804 NE ARG A 52 -9.377 -16.498 0.524 1.00 33.22 N ATOM 805 CZ ARG A 52 -10.027 -17.187 -0.420 1.00 41.14 C ATOM 806 NH1 ARG A 52 -10.680 -16.556 -1.393 1.00 21.52 N ATOM 807 NH2 ARG A 52 -10.044 -18.512 -0.351 1.00 73.04 N ATOM 0 H ARG A 52 -6.644 -13.182 3.040 1.00 21.30 H new ATOM 0 HA ARG A 52 -9.029 -11.613 3.812 1.00 3.53 H new ATOM 0 HB2 ARG A 52 -10.318 -13.077 2.457 1.00 14.31 H new ATOM 0 HB3 ARG A 52 -8.966 -12.550 1.474 1.00 14.31 H new ATOM 0 HG2 ARG A 52 -7.788 -14.741 2.077 1.00 42.30 H new ATOM 0 HG3 ARG A 52 -9.278 -15.260 2.839 1.00 42.30 H new ATOM 0 HD2 ARG A 52 -10.448 -14.693 0.593 1.00 73.05 H new ATOM 0 HD3 ARG A 52 -8.841 -14.565 -0.095 1.00 73.05 H new ATOM 0 HE ARG A 52 -8.803 -17.029 1.179 1.00 33.22 H new ATOM 0 HH11 ARG A 52 -10.688 -15.537 -1.424 1.00 21.52 H new ATOM 0 HH12 ARG A 52 -11.172 -17.092 -2.108 1.00 21.52 H new ATOM 0 HH21 ARG A 52 -9.566 -18.989 0.414 1.00 73.04 H new ATOM 0 HH22 ARG A 52 -10.535 -19.053 -1.062 1.00 73.04 H new ATOM 821 N GLN A 53 -7.704 -13.837 5.502 1.00 65.12 N ATOM 822 CA GLN A 53 -7.725 -14.858 6.539 1.00 33.34 C ATOM 823 C GLN A 53 -8.597 -14.495 7.734 1.00 72.22 C ATOM 824 O GLN A 53 -9.279 -15.369 8.268 1.00 54.23 O ATOM 825 CB GLN A 53 -6.278 -15.121 6.992 1.00 33.12 C ATOM 826 CG GLN A 53 -5.965 -16.610 6.973 1.00 11.04 C ATOM 827 CD GLN A 53 -4.471 -16.901 7.092 1.00 73.33 C ATOM 828 OE1 GLN A 53 -3.730 -16.267 7.841 1.00 0.14 O ATOM 829 NE2 GLN A 53 -3.986 -17.917 6.401 1.00 61.52 N ATOM 0 H GLN A 53 -6.775 -13.447 5.341 1.00 65.12 H new ATOM 0 HA GLN A 53 -8.171 -15.756 6.111 1.00 33.34 H new ATOM 0 HB2 GLN A 53 -5.586 -14.591 6.337 1.00 33.12 H new ATOM 0 HB3 GLN A 53 -6.130 -14.727 7.998 1.00 33.12 H new ATOM 0 HG2 GLN A 53 -6.492 -17.098 7.793 1.00 11.04 H new ATOM 0 HG3 GLN A 53 -6.343 -17.044 6.047 1.00 11.04 H new ATOM 0 HE21 GLN A 53 -4.595 -18.447 5.778 1.00 61.52 H new ATOM 0 HE22 GLN A 53 -3.002 -18.171 6.491 1.00 61.52 H new ATOM 838 N ASP A 54 -8.529 -13.235 8.167 1.00 63.30 N ATOM 839 CA ASP A 54 -9.207 -12.721 9.354 1.00 33.23 C ATOM 840 C ASP A 54 -9.481 -11.208 9.171 1.00 31.11 C ATOM 841 O ASP A 54 -9.418 -10.428 10.121 1.00 42.10 O ATOM 842 CB ASP A 54 -8.342 -12.983 10.606 1.00 71.32 C ATOM 843 CG ASP A 54 -8.401 -14.416 11.146 1.00 44.03 C ATOM 844 OD1 ASP A 54 -9.467 -14.831 11.647 1.00 61.22 O ATOM 845 OD2 ASP A 54 -7.362 -15.127 11.123 1.00 61.21 O ATOM 0 H ASP A 54 -7.982 -12.522 7.684 1.00 63.30 H new ATOM 0 HA ASP A 54 -10.160 -13.233 9.489 1.00 33.23 H new ATOM 0 HB2 ASP A 54 -7.305 -12.742 10.370 1.00 71.32 H new ATOM 0 HB3 ASP A 54 -8.656 -12.300 11.395 1.00 71.32 H new ATOM 850 N TYR A 55 -9.672 -10.772 7.923 1.00 3.10 N ATOM 851 CA TYR A 55 -9.763 -9.385 7.454 1.00 43.20 C ATOM 852 C TYR A 55 -11.134 -9.170 6.775 1.00 14.34 C ATOM 853 O TYR A 55 -11.217 -9.176 5.541 1.00 44.14 O ATOM 854 CB TYR A 55 -8.586 -9.061 6.503 1.00 4.10 C ATOM 855 CG TYR A 55 -7.272 -8.708 7.185 1.00 31.34 C ATOM 856 CD1 TYR A 55 -6.689 -9.600 8.102 1.00 35.14 C ATOM 857 CD2 TYR A 55 -6.648 -7.467 6.941 1.00 52.44 C ATOM 858 CE1 TYR A 55 -5.576 -9.220 8.858 1.00 21.41 C ATOM 859 CE2 TYR A 55 -5.509 -7.087 7.678 1.00 33.43 C ATOM 860 CZ TYR A 55 -4.991 -7.950 8.671 1.00 12.13 C ATOM 861 OH TYR A 55 -3.952 -7.563 9.463 1.00 40.25 O ATOM 0 H TYR A 55 -9.775 -11.432 7.152 1.00 3.10 H new ATOM 0 HA TYR A 55 -9.689 -8.699 8.298 1.00 43.20 H new ATOM 0 HB2 TYR A 55 -8.419 -9.920 5.854 1.00 4.10 H new ATOM 0 HB3 TYR A 55 -8.878 -8.229 5.862 1.00 4.10 H new ATOM 0 HD1 TYR A 55 -7.105 -10.589 8.224 1.00 35.14 H new ATOM 0 HD2 TYR A 55 -7.045 -6.805 6.186 1.00 52.44 H new ATOM 0 HE1 TYR A 55 -5.163 -9.901 9.587 1.00 21.41 H new ATOM 0 HE2 TYR A 55 -5.032 -6.138 7.485 1.00 33.43 H new ATOM 0 HH TYR A 55 -3.662 -6.663 9.206 1.00 40.25 H new ATOM 871 N PRO A 56 -12.231 -9.001 7.539 1.00 13.14 N ATOM 872 CA PRO A 56 -13.565 -8.804 6.972 1.00 11.43 C ATOM 873 C PRO A 56 -13.767 -7.430 6.319 1.00 33.22 C ATOM 874 O PRO A 56 -14.691 -7.272 5.520 1.00 73.34 O ATOM 875 CB PRO A 56 -14.532 -9.003 8.146 1.00 31.41 C ATOM 876 CG PRO A 56 -13.705 -8.572 9.356 1.00 43.45 C ATOM 877 CD PRO A 56 -12.305 -9.065 8.994 1.00 53.15 C ATOM 0 HA PRO A 56 -13.733 -9.510 6.158 1.00 11.43 H new ATOM 0 HB2 PRO A 56 -15.430 -8.396 8.035 1.00 31.41 H new ATOM 0 HB3 PRO A 56 -14.857 -10.040 8.229 1.00 31.41 H new ATOM 0 HG2 PRO A 56 -13.730 -7.492 9.500 1.00 43.45 H new ATOM 0 HG3 PRO A 56 -14.069 -9.025 10.278 1.00 43.45 H new ATOM 0 HD2 PRO A 56 -11.539 -8.441 9.453 1.00 53.15 H new ATOM 0 HD3 PRO A 56 -12.143 -10.082 9.350 1.00 53.15 H new ATOM 885 N GLU A 57 -12.911 -6.450 6.595 1.00 53.32 N ATOM 886 CA GLU A 57 -12.819 -5.198 5.849 1.00 44.41 C ATOM 887 C GLU A 57 -11.404 -5.078 5.287 1.00 54.11 C ATOM 888 O GLU A 57 -10.464 -5.649 5.859 1.00 54.24 O ATOM 889 CB GLU A 57 -13.138 -3.983 6.745 1.00 52.15 C ATOM 890 CG GLU A 57 -14.604 -3.556 6.619 1.00 14.44 C ATOM 891 CD GLU A 57 -14.945 -2.378 7.540 1.00 43.25 C ATOM 892 OE1 GLU A 57 -14.778 -2.519 8.772 1.00 30.30 O ATOM 893 OE2 GLU A 57 -15.476 -1.356 7.045 1.00 14.34 O ATOM 0 H GLU A 57 -12.244 -6.506 7.365 1.00 53.32 H new ATOM 0 HA GLU A 57 -13.552 -5.208 5.042 1.00 44.41 H new ATOM 0 HB2 GLU A 57 -12.919 -4.229 7.784 1.00 52.15 H new ATOM 0 HB3 GLU A 57 -12.491 -3.149 6.472 1.00 52.15 H new ATOM 0 HG2 GLU A 57 -14.813 -3.279 5.586 1.00 14.44 H new ATOM 0 HG3 GLU A 57 -15.249 -4.401 6.859 1.00 14.44 H new ATOM 900 N PRO A 58 -11.226 -4.304 4.206 1.00 54.05 N ATOM 901 CA PRO A 58 -9.915 -4.023 3.682 1.00 25.24 C ATOM 902 C PRO A 58 -9.185 -3.065 4.643 1.00 64.32 C ATOM 903 O PRO A 58 -9.804 -2.356 5.444 1.00 32.30 O ATOM 904 CB PRO A 58 -10.171 -3.430 2.301 1.00 62.14 C ATOM 905 CG PRO A 58 -11.450 -2.636 2.516 1.00 4.44 C ATOM 906 CD PRO A 58 -12.227 -3.570 3.444 1.00 35.33 C ATOM 0 HA PRO A 58 -9.268 -4.896 3.594 1.00 25.24 H new ATOM 0 HB2 PRO A 58 -9.349 -2.794 1.974 1.00 62.14 H new ATOM 0 HB3 PRO A 58 -10.296 -4.204 1.544 1.00 62.14 H new ATOM 0 HG2 PRO A 58 -11.260 -1.665 2.974 1.00 4.44 H new ATOM 0 HG3 PRO A 58 -11.980 -2.449 1.582 1.00 4.44 H new ATOM 0 HD2 PRO A 58 -12.884 -3.005 4.105 1.00 35.33 H new ATOM 0 HD3 PRO A 58 -12.859 -4.250 2.873 1.00 35.33 H new ATOM 914 N PRO A 59 -7.849 -3.054 4.607 1.00 52.24 N ATOM 915 CA PRO A 59 -7.056 -2.360 5.602 1.00 33.25 C ATOM 916 C PRO A 59 -7.026 -0.846 5.377 1.00 54.33 C ATOM 917 O PRO A 59 -6.395 -0.379 4.431 1.00 21.42 O ATOM 918 CB PRO A 59 -5.680 -2.997 5.486 1.00 22.14 C ATOM 919 CG PRO A 59 -5.591 -3.497 4.044 1.00 42.34 C ATOM 920 CD PRO A 59 -7.026 -3.896 3.754 1.00 74.52 C ATOM 0 HA PRO A 59 -7.472 -2.461 6.605 1.00 33.25 H new ATOM 0 HB2 PRO A 59 -4.892 -2.275 5.702 1.00 22.14 H new ATOM 0 HB3 PRO A 59 -5.564 -3.817 6.195 1.00 22.14 H new ATOM 0 HG2 PRO A 59 -5.239 -2.720 3.365 1.00 42.34 H new ATOM 0 HG3 PRO A 59 -4.906 -4.340 3.947 1.00 42.34 H new ATOM 0 HD2 PRO A 59 -7.269 -3.745 2.702 1.00 74.52 H new ATOM 0 HD3 PRO A 59 -7.190 -4.952 3.970 1.00 74.52 H new ATOM 928 N ASP A 60 -7.640 -0.065 6.265 1.00 31.21 N ATOM 929 CA ASP A 60 -7.495 1.396 6.282 1.00 22.20 C ATOM 930 C ASP A 60 -6.139 1.723 6.897 1.00 51.10 C ATOM 931 O ASP A 60 -5.930 1.457 8.086 1.00 33.41 O ATOM 932 CB ASP A 60 -8.602 2.088 7.091 1.00 55.33 C ATOM 933 CG ASP A 60 -8.643 3.579 6.745 1.00 13.40 C ATOM 934 OD1 ASP A 60 -7.589 4.250 6.788 1.00 40.33 O ATOM 935 OD2 ASP A 60 -9.733 4.093 6.401 1.00 44.32 O ATOM 0 H ASP A 60 -8.254 -0.425 6.996 1.00 31.21 H new ATOM 0 HA ASP A 60 -7.573 1.764 5.259 1.00 22.20 H new ATOM 0 HB2 ASP A 60 -9.566 1.628 6.873 1.00 55.33 H new ATOM 0 HB3 ASP A 60 -8.421 1.958 8.158 1.00 55.33 H new ATOM 940 N PHE A 61 -5.178 2.198 6.105 1.00 65.42 N ATOM 941 CA PHE A 61 -3.832 2.504 6.595 1.00 61.33 C ATOM 942 C PHE A 61 -3.752 3.878 7.265 1.00 70.52 C ATOM 943 O PHE A 61 -2.706 4.211 7.816 1.00 53.01 O ATOM 944 CB PHE A 61 -2.819 2.417 5.440 1.00 74.31 C ATOM 945 CG PHE A 61 -2.666 1.024 4.857 1.00 70.43 C ATOM 946 CD1 PHE A 61 -3.544 0.586 3.850 1.00 43.42 C ATOM 947 CD2 PHE A 61 -1.660 0.154 5.324 1.00 71.45 C ATOM 948 CE1 PHE A 61 -3.438 -0.711 3.333 1.00 41.22 C ATOM 949 CE2 PHE A 61 -1.578 -1.163 4.830 1.00 15.24 C ATOM 950 CZ PHE A 61 -2.472 -1.597 3.836 1.00 12.34 C ATOM 0 H PHE A 61 -5.308 2.381 5.110 1.00 65.42 H new ATOM 0 HA PHE A 61 -3.587 1.762 7.355 1.00 61.33 H new ATOM 0 HB2 PHE A 61 -3.127 3.099 4.648 1.00 74.31 H new ATOM 0 HB3 PHE A 61 -1.847 2.760 5.796 1.00 74.31 H new ATOM 0 HD1 PHE A 61 -4.305 1.254 3.473 1.00 43.42 H new ATOM 0 HD2 PHE A 61 -0.950 0.498 6.062 1.00 71.45 H new ATOM 0 HE1 PHE A 61 -4.102 -1.031 2.544 1.00 41.22 H new ATOM 0 HE2 PHE A 61 -0.829 -1.839 5.215 1.00 15.24 H new ATOM 0 HZ PHE A 61 -2.416 -2.608 3.461 1.00 12.34 H new ATOM 960 N ILE A 62 -4.804 4.698 7.185 1.00 21.43 N ATOM 961 CA ILE A 62 -4.785 6.104 7.576 1.00 34.43 C ATOM 962 C ILE A 62 -5.485 6.245 8.928 1.00 61.32 C ATOM 963 O ILE A 62 -5.023 7.005 9.784 1.00 54.31 O ATOM 964 CB ILE A 62 -5.417 6.960 6.451 1.00 44.33 C ATOM 965 CG1 ILE A 62 -4.623 6.774 5.132 1.00 11.44 C ATOM 966 CG2 ILE A 62 -5.463 8.447 6.854 1.00 25.02 C ATOM 967 CD1 ILE A 62 -5.292 7.432 3.927 1.00 61.22 C ATOM 0 H ILE A 62 -5.713 4.392 6.838 1.00 21.43 H new ATOM 0 HA ILE A 62 -3.767 6.473 7.704 1.00 34.43 H new ATOM 0 HB ILE A 62 -6.442 6.624 6.293 1.00 44.33 H new ATOM 0 HG12 ILE A 62 -3.623 7.190 5.256 1.00 11.44 H new ATOM 0 HG13 ILE A 62 -4.503 5.709 4.935 1.00 11.44 H new ATOM 0 HG21 ILE A 62 -5.911 9.029 6.048 1.00 25.02 H new ATOM 0 HG22 ILE A 62 -6.060 8.560 7.759 1.00 25.02 H new ATOM 0 HG23 ILE A 62 -4.450 8.805 7.040 1.00 25.02 H new ATOM 0 HD11 ILE A 62 -4.685 7.264 3.037 1.00 61.22 H new ATOM 0 HD12 ILE A 62 -6.281 6.999 3.779 1.00 61.22 H new ATOM 0 HD13 ILE A 62 -5.388 8.503 4.104 1.00 61.22 H new ATOM 979 N ALA A 63 -6.569 5.499 9.144 1.00 32.43 N ATOM 980 CA ALA A 63 -7.151 5.302 10.460 1.00 62.33 C ATOM 981 C ALA A 63 -6.261 4.355 11.272 1.00 51.31 C ATOM 982 O ALA A 63 -5.836 4.706 12.375 1.00 41.24 O ATOM 983 CB ALA A 63 -8.577 4.754 10.323 1.00 23.25 C ATOM 0 H ALA A 63 -7.068 5.012 8.399 1.00 32.43 H new ATOM 0 HA ALA A 63 -7.210 6.254 10.988 1.00 62.33 H new ATOM 0 HB1 ALA A 63 -9.008 4.609 11.314 1.00 23.25 H new ATOM 0 HB2 ALA A 63 -9.187 5.463 9.763 1.00 23.25 H new ATOM 0 HB3 ALA A 63 -8.551 3.801 9.795 1.00 23.25 H new ATOM 989 N SER A 64 -5.975 3.159 10.747 1.00 11.22 N ATOM 990 CA SER A 64 -5.517 2.030 11.548 1.00 11.32 C ATOM 991 C SER A 64 -4.112 1.570 11.139 1.00 51.03 C ATOM 992 O SER A 64 -3.587 2.029 10.119 1.00 12.10 O ATOM 993 CB SER A 64 -6.585 0.935 11.467 1.00 11.04 C ATOM 994 OG SER A 64 -6.556 0.167 12.648 1.00 34.00 O ATOM 0 H SER A 64 -6.056 2.951 9.752 1.00 11.22 H new ATOM 0 HA SER A 64 -5.402 2.319 12.593 1.00 11.32 H new ATOM 0 HB2 SER A 64 -7.570 1.381 11.334 1.00 11.04 H new ATOM 0 HB3 SER A 64 -6.404 0.298 10.601 1.00 11.04 H new ATOM 0 HG SER A 64 -7.240 -0.533 12.600 1.00 34.00 H new ATOM 1000 N ARG A 65 -3.483 0.650 11.895 1.00 4.10 N ATOM 1001 CA ARG A 65 -2.278 -0.018 11.396 1.00 20.41 C ATOM 1002 C ARG A 65 -2.223 -1.531 11.683 1.00 24.52 C ATOM 1003 O ARG A 65 -1.147 -2.045 11.995 1.00 21.13 O ATOM 1004 CB ARG A 65 -1.023 0.783 11.838 1.00 25.43 C ATOM 1005 CG ARG A 65 -0.721 0.975 13.340 1.00 20.35 C ATOM 1006 CD ARG A 65 -0.024 -0.236 13.974 1.00 72.13 C ATOM 1007 NE ARG A 65 0.423 -0.015 15.354 1.00 54.44 N ATOM 1008 CZ ARG A 65 1.089 -0.936 16.062 1.00 21.15 C ATOM 1009 NH1 ARG A 65 1.798 -1.892 15.463 1.00 34.43 N ATOM 1010 NH2 ARG A 65 1.042 -0.914 17.384 1.00 63.51 N ATOM 0 H ARG A 65 -3.782 0.362 12.827 1.00 4.10 H new ATOM 0 HA ARG A 65 -2.307 -0.004 10.306 1.00 20.41 H new ATOM 0 HB2 ARG A 65 -0.155 0.298 11.392 1.00 25.43 H new ATOM 0 HB3 ARG A 65 -1.098 1.775 11.393 1.00 25.43 H new ATOM 0 HG2 ARG A 65 -0.093 1.856 13.468 1.00 20.35 H new ATOM 0 HG3 ARG A 65 -1.654 1.168 13.870 1.00 20.35 H new ATOM 0 HD2 ARG A 65 -0.707 -1.085 13.956 1.00 72.13 H new ATOM 0 HD3 ARG A 65 0.837 -0.507 13.363 1.00 72.13 H new ATOM 0 HE ARG A 65 0.217 0.882 15.794 1.00 54.44 H new ATOM 0 HH11 ARG A 65 1.841 -1.933 14.445 1.00 34.43 H new ATOM 0 HH12 ARG A 65 2.297 -2.583 16.023 1.00 34.43 H new ATOM 0 HH21 ARG A 65 0.499 -0.196 17.863 1.00 63.51 H new ATOM 0 HH22 ARG A 65 1.549 -1.615 17.924 1.00 63.51 H new ATOM 1024 N PRO A 66 -3.252 -2.335 11.351 1.00 3.22 N ATOM 1025 CA PRO A 66 -3.177 -3.787 11.478 1.00 34.42 C ATOM 1026 C PRO A 66 -2.359 -4.362 10.328 1.00 25.01 C ATOM 1027 O PRO A 66 -1.432 -5.149 10.537 1.00 2.42 O ATOM 1028 CB PRO A 66 -4.626 -4.282 11.439 1.00 14.24 C ATOM 1029 CG PRO A 66 -5.354 -3.215 10.620 1.00 63.15 C ATOM 1030 CD PRO A 66 -4.610 -1.944 11.013 1.00 64.23 C ATOM 0 HA PRO A 66 -2.687 -4.100 12.400 1.00 34.42 H new ATOM 0 HB2 PRO A 66 -4.701 -5.264 10.973 1.00 14.24 H new ATOM 0 HB3 PRO A 66 -5.045 -4.372 12.441 1.00 14.24 H new ATOM 0 HG2 PRO A 66 -5.290 -3.410 9.549 1.00 63.15 H new ATOM 0 HG3 PRO A 66 -6.413 -3.161 10.872 1.00 63.15 H new ATOM 0 HD2 PRO A 66 -4.612 -1.226 10.192 1.00 64.23 H new ATOM 0 HD3 PRO A 66 -5.094 -1.460 11.861 1.00 64.23 H new ATOM 1038 N ALA A 67 -2.676 -3.942 9.103 1.00 43.21 N ATOM 1039 CA ALA A 67 -2.021 -4.449 7.913 1.00 44.32 C ATOM 1040 C ALA A 67 -0.547 -4.082 7.885 1.00 14.03 C ATOM 1041 O ALA A 67 0.200 -4.732 7.180 1.00 33.41 O ATOM 1042 CB ALA A 67 -2.702 -3.914 6.664 1.00 72.42 C ATOM 0 H ALA A 67 -3.394 -3.242 8.916 1.00 43.21 H new ATOM 0 HA ALA A 67 -2.102 -5.536 7.935 1.00 44.32 H new ATOM 0 HB1 ALA A 67 -2.198 -4.304 5.780 1.00 72.42 H new ATOM 0 HB2 ALA A 67 -3.746 -4.229 6.656 1.00 72.42 H new ATOM 0 HB3 ALA A 67 -2.651 -2.825 6.660 1.00 72.42 H new ATOM 1048 N THR A 68 -0.095 -3.100 8.654 1.00 34.22 N ATOM 1049 CA THR A 68 1.296 -2.695 8.702 1.00 4.13 C ATOM 1050 C THR A 68 2.237 -3.845 9.116 1.00 13.42 C ATOM 1051 O THR A 68 3.379 -3.880 8.651 1.00 53.30 O ATOM 1052 CB THR A 68 1.350 -1.468 9.614 1.00 62.12 C ATOM 1053 OG1 THR A 68 0.684 -0.396 8.980 1.00 64.10 O ATOM 1054 CG2 THR A 68 2.758 -0.995 9.898 1.00 12.44 C ATOM 0 H THR A 68 -0.698 -2.556 9.271 1.00 34.22 H new ATOM 0 HA THR A 68 1.670 -2.430 7.713 1.00 4.13 H new ATOM 0 HB THR A 68 0.885 -1.764 10.554 1.00 62.12 H new ATOM 0 HG1 THR A 68 0.973 0.451 9.380 1.00 64.10 H new ATOM 0 HG21 THR A 68 2.724 -0.122 10.550 1.00 12.44 H new ATOM 0 HG22 THR A 68 3.318 -1.792 10.387 1.00 12.44 H new ATOM 0 HG23 THR A 68 3.248 -0.729 8.962 1.00 12.44 H new ATOM 1062 N VAL A 69 1.770 -4.811 9.919 1.00 3.43 N ATOM 1063 CA VAL A 69 2.519 -6.042 10.194 1.00 34.25 C ATOM 1064 C VAL A 69 2.534 -6.901 8.922 1.00 21.02 C ATOM 1065 O VAL A 69 3.567 -7.453 8.529 1.00 3.34 O ATOM 1066 CB VAL A 69 1.864 -6.817 11.366 1.00 44.25 C ATOM 1067 CG1 VAL A 69 2.724 -8.018 11.786 1.00 30.22 C ATOM 1068 CG2 VAL A 69 1.626 -5.911 12.583 1.00 75.20 C ATOM 0 H VAL A 69 0.868 -4.761 10.393 1.00 3.43 H new ATOM 0 HA VAL A 69 3.542 -5.798 10.482 1.00 34.25 H new ATOM 0 HB VAL A 69 0.900 -7.176 11.005 1.00 44.25 H new ATOM 0 HG11 VAL A 69 2.239 -8.542 12.610 1.00 30.22 H new ATOM 0 HG12 VAL A 69 2.838 -8.697 10.941 1.00 30.22 H new ATOM 0 HG13 VAL A 69 3.706 -7.668 12.106 1.00 30.22 H new ATOM 0 HG21 VAL A 69 1.166 -6.490 13.383 1.00 75.20 H new ATOM 0 HG22 VAL A 69 2.578 -5.508 12.928 1.00 75.20 H new ATOM 0 HG23 VAL A 69 0.965 -5.091 12.302 1.00 75.20 H new ATOM 1078 N LYS A 70 1.365 -7.018 8.291 1.00 12.33 N ATOM 1079 CA LYS A 70 1.091 -7.876 7.155 1.00 3.10 C ATOM 1080 C LYS A 70 1.879 -7.447 5.916 1.00 70.32 C ATOM 1081 O LYS A 70 2.413 -8.299 5.209 1.00 50.25 O ATOM 1082 CB LYS A 70 -0.430 -7.897 6.933 1.00 42.23 C ATOM 1083 CG LYS A 70 -0.881 -9.218 6.302 1.00 61.52 C ATOM 1084 CD LYS A 70 -2.144 -9.752 6.993 1.00 33.44 C ATOM 1085 CE LYS A 70 -2.340 -11.245 6.733 1.00 41.43 C ATOM 1086 NZ LYS A 70 -1.218 -12.061 7.242 1.00 32.54 N ATOM 0 H LYS A 70 0.545 -6.485 8.580 1.00 12.33 H new ATOM 0 HA LYS A 70 1.429 -8.892 7.357 1.00 3.10 H new ATOM 0 HB2 LYS A 70 -0.941 -7.753 7.885 1.00 42.23 H new ATOM 0 HB3 LYS A 70 -0.717 -7.066 6.288 1.00 42.23 H new ATOM 0 HG2 LYS A 70 -1.078 -9.070 5.240 1.00 61.52 H new ATOM 0 HG3 LYS A 70 -0.081 -9.954 6.379 1.00 61.52 H new ATOM 0 HD2 LYS A 70 -2.074 -9.575 8.066 1.00 33.44 H new ATOM 0 HD3 LYS A 70 -3.015 -9.203 6.635 1.00 33.44 H new ATOM 0 HE2 LYS A 70 -3.267 -11.574 7.204 1.00 41.43 H new ATOM 0 HE3 LYS A 70 -2.450 -11.412 5.662 1.00 41.43 H new ATOM 0 HZ1 LYS A 70 -1.583 -12.963 7.609 1.00 32.54 H new ATOM 0 HZ2 LYS A 70 -0.546 -12.248 6.470 1.00 32.54 H new ATOM 0 HZ3 LYS A 70 -0.734 -11.547 8.006 1.00 32.54 H new ATOM 1100 N LEU A 71 2.011 -6.137 5.688 1.00 44.11 N ATOM 1101 CA LEU A 71 2.837 -5.559 4.638 1.00 71.41 C ATOM 1102 C LEU A 71 4.265 -6.054 4.801 1.00 20.24 C ATOM 1103 O LEU A 71 4.909 -6.414 3.827 1.00 73.24 O ATOM 1104 CB LEU A 71 2.899 -4.017 4.703 1.00 71.23 C ATOM 1105 CG LEU A 71 1.615 -3.212 4.506 1.00 71.34 C ATOM 1106 CD1 LEU A 71 1.969 -1.744 4.721 1.00 23.01 C ATOM 1107 CD2 LEU A 71 0.928 -3.340 3.158 1.00 52.22 C ATOM 0 H LEU A 71 1.530 -5.434 6.248 1.00 44.11 H new ATOM 0 HA LEU A 71 2.389 -5.859 3.691 1.00 71.41 H new ATOM 0 HB2 LEU A 71 3.311 -3.746 5.675 1.00 71.23 H new ATOM 0 HB3 LEU A 71 3.614 -3.685 3.950 1.00 71.23 H new ATOM 0 HG LEU A 71 0.899 -3.618 5.220 1.00 71.34 H new ATOM 0 HD11 LEU A 71 1.077 -1.132 4.589 1.00 23.01 H new ATOM 0 HD12 LEU A 71 2.357 -1.607 5.730 1.00 23.01 H new ATOM 0 HD13 LEU A 71 2.726 -1.443 3.997 1.00 23.01 H new ATOM 0 HD21 LEU A 71 0.031 -2.721 3.147 1.00 52.22 H new ATOM 0 HD22 LEU A 71 1.606 -3.010 2.371 1.00 52.22 H new ATOM 0 HD23 LEU A 71 0.653 -4.381 2.987 1.00 52.22 H new ATOM 1119 N THR A 72 4.794 -6.003 6.022 1.00 15.21 N ATOM 1120 CA THR A 72 6.192 -6.279 6.272 1.00 13.31 C ATOM 1121 C THR A 72 6.533 -7.730 5.945 1.00 62.43 C ATOM 1122 O THR A 72 7.658 -7.994 5.520 1.00 64.11 O ATOM 1123 CB THR A 72 6.489 -5.850 7.708 1.00 2.25 C ATOM 1124 OG1 THR A 72 6.412 -4.441 7.726 1.00 74.12 O ATOM 1125 CG2 THR A 72 7.855 -6.296 8.211 1.00 75.33 C ATOM 0 H THR A 72 4.260 -5.769 6.859 1.00 15.21 H new ATOM 0 HA THR A 72 6.846 -5.708 5.613 1.00 13.31 H new ATOM 0 HB THR A 72 5.767 -6.323 8.373 1.00 2.25 H new ATOM 0 HG1 THR A 72 5.516 -4.166 8.014 1.00 74.12 H new ATOM 0 HG21 THR A 72 7.994 -5.955 9.237 1.00 75.33 H new ATOM 0 HG22 THR A 72 7.917 -7.384 8.179 1.00 75.33 H new ATOM 0 HG23 THR A 72 8.633 -5.869 7.578 1.00 75.33 H new ATOM 1133 N ARG A 73 5.577 -8.660 6.048 1.00 11.24 N ATOM 1134 CA ARG A 73 5.779 -10.033 5.584 1.00 43.32 C ATOM 1135 C ARG A 73 6.179 -10.018 4.106 1.00 11.33 C ATOM 1136 O ARG A 73 7.205 -10.596 3.751 1.00 4.03 O ATOM 1137 CB ARG A 73 4.559 -10.949 5.815 1.00 44.12 C ATOM 1138 CG ARG A 73 3.854 -10.754 7.170 1.00 43.55 C ATOM 1139 CD ARG A 73 3.325 -12.043 7.806 1.00 53.23 C ATOM 1140 NE ARG A 73 2.498 -12.863 6.897 1.00 44.12 N ATOM 1141 CZ ARG A 73 2.077 -14.109 7.147 1.00 53.15 C ATOM 1142 NH1 ARG A 73 2.290 -14.687 8.320 1.00 3.10 N ATOM 1143 NH2 ARG A 73 1.426 -14.789 6.218 1.00 50.03 N ATOM 0 H ARG A 73 4.656 -8.484 6.449 1.00 11.24 H new ATOM 0 HA ARG A 73 6.583 -10.460 6.184 1.00 43.32 H new ATOM 0 HB2 ARG A 73 3.837 -10.777 5.017 1.00 44.12 H new ATOM 0 HB3 ARG A 73 4.881 -11.987 5.735 1.00 44.12 H new ATOM 0 HG2 ARG A 73 4.551 -10.282 7.863 1.00 43.55 H new ATOM 0 HG3 ARG A 73 3.022 -10.063 7.035 1.00 43.55 H new ATOM 0 HD2 ARG A 73 4.170 -12.640 8.151 1.00 53.23 H new ATOM 0 HD3 ARG A 73 2.735 -11.787 8.686 1.00 53.23 H new ATOM 0 HE ARG A 73 2.226 -12.446 6.007 1.00 44.12 H new ATOM 0 HH11 ARG A 73 2.784 -14.182 9.055 1.00 3.10 H new ATOM 0 HH12 ARG A 73 1.960 -15.637 8.488 1.00 3.10 H new ATOM 0 HH21 ARG A 73 1.244 -14.364 5.309 1.00 50.03 H new ATOM 0 HH22 ARG A 73 1.106 -15.738 6.411 1.00 50.03 H new ATOM 1157 N SER A 74 5.428 -9.282 3.281 1.00 42.15 N ATOM 1158 CA SER A 74 5.666 -9.085 1.854 1.00 74.42 C ATOM 1159 C SER A 74 6.956 -8.309 1.531 1.00 20.51 C ATOM 1160 O SER A 74 7.305 -8.207 0.355 1.00 64.21 O ATOM 1161 CB SER A 74 4.488 -8.300 1.254 1.00 71.31 C ATOM 1162 OG SER A 74 3.217 -8.748 1.692 1.00 11.15 O ATOM 0 H SER A 74 4.599 -8.785 3.609 1.00 42.15 H new ATOM 0 HA SER A 74 5.770 -10.082 1.426 1.00 74.42 H new ATOM 0 HB2 SER A 74 4.599 -7.246 1.509 1.00 71.31 H new ATOM 0 HB3 SER A 74 4.533 -8.371 0.167 1.00 71.31 H new ATOM 0 HG SER A 74 2.635 -8.889 0.916 1.00 11.15 H new ATOM 1168 N ILE A 75 7.655 -7.735 2.521 1.00 74.20 N ATOM 1169 CA ILE A 75 8.824 -6.880 2.324 1.00 71.12 C ATOM 1170 C ILE A 75 10.064 -7.665 2.798 1.00 32.41 C ATOM 1171 O ILE A 75 10.474 -7.539 3.960 1.00 53.32 O ATOM 1172 CB ILE A 75 8.639 -5.484 2.963 1.00 1.23 C ATOM 1173 CG1 ILE A 75 7.411 -4.757 2.357 1.00 60.10 C ATOM 1174 CG2 ILE A 75 9.887 -4.607 2.719 1.00 51.22 C ATOM 1175 CD1 ILE A 75 6.960 -3.546 3.178 1.00 75.43 C ATOM 0 H ILE A 75 7.413 -7.859 3.504 1.00 74.20 H new ATOM 0 HA ILE A 75 8.966 -6.644 1.269 1.00 71.12 H new ATOM 0 HB ILE A 75 8.488 -5.633 4.032 1.00 1.23 H new ATOM 0 HG12 ILE A 75 7.653 -4.432 1.345 1.00 60.10 H new ATOM 0 HG13 ILE A 75 6.583 -5.462 2.276 1.00 60.10 H new ATOM 0 HG21 ILE A 75 9.739 -3.628 3.176 1.00 51.22 H new ATOM 0 HG22 ILE A 75 10.760 -5.086 3.162 1.00 51.22 H new ATOM 0 HG23 ILE A 75 10.044 -4.487 1.647 1.00 51.22 H new ATOM 0 HD11 ILE A 75 6.097 -3.083 2.699 1.00 75.43 H new ATOM 0 HD12 ILE A 75 6.688 -3.869 4.183 1.00 75.43 H new ATOM 0 HD13 ILE A 75 7.774 -2.823 3.237 1.00 75.43 H new ATOM 1187 N PRO A 76 10.666 -8.503 1.937 1.00 43.22 N ATOM 1188 CA PRO A 76 11.946 -9.152 2.178 1.00 15.04 C ATOM 1189 C PRO A 76 13.067 -8.100 2.265 1.00 10.23 C ATOM 1190 O PRO A 76 12.884 -6.937 1.893 1.00 1.23 O ATOM 1191 CB PRO A 76 12.110 -10.084 0.971 1.00 13.01 C ATOM 1192 CG PRO A 76 11.502 -9.287 -0.157 1.00 74.00 C ATOM 1193 CD PRO A 76 10.262 -8.769 0.569 1.00 63.32 C ATOM 0 HA PRO A 76 11.993 -9.700 3.119 1.00 15.04 H new ATOM 0 HB2 PRO A 76 13.157 -10.318 0.781 1.00 13.01 H new ATOM 0 HB3 PRO A 76 11.593 -11.032 1.120 1.00 13.01 H new ATOM 0 HG2 PRO A 76 12.153 -8.485 -0.506 1.00 74.00 H new ATOM 0 HG3 PRO A 76 11.258 -9.901 -1.024 1.00 74.00 H new ATOM 0 HD2 PRO A 76 9.884 -7.864 0.093 1.00 63.32 H new ATOM 0 HD3 PRO A 76 9.459 -9.505 0.538 1.00 63.32 H new ATOM 1201 N ALA A 77 14.245 -8.511 2.735 1.00 61.30 N ATOM 1202 CA ALA A 77 15.444 -7.689 2.862 1.00 21.02 C ATOM 1203 C ALA A 77 15.791 -6.949 1.556 1.00 60.24 C ATOM 1204 O ALA A 77 16.011 -5.738 1.615 1.00 45.14 O ATOM 1205 CB ALA A 77 16.617 -8.531 3.384 1.00 25.30 C ATOM 0 H ALA A 77 14.394 -9.469 3.051 1.00 61.30 H new ATOM 0 HA ALA A 77 15.237 -6.910 3.596 1.00 21.02 H new ATOM 0 HB1 ALA A 77 17.504 -7.904 3.473 1.00 25.30 H new ATOM 0 HB2 ALA A 77 16.363 -8.942 4.361 1.00 25.30 H new ATOM 0 HB3 ALA A 77 16.818 -9.346 2.689 1.00 25.30 H new ATOM 1211 N PRO A 78 15.818 -7.600 0.374 1.00 63.02 N ATOM 1212 CA PRO A 78 16.090 -6.929 -0.898 1.00 41.12 C ATOM 1213 C PRO A 78 15.051 -5.886 -1.328 1.00 64.53 C ATOM 1214 O PRO A 78 15.313 -5.177 -2.300 1.00 14.00 O ATOM 1215 CB PRO A 78 16.220 -8.045 -1.949 1.00 20.25 C ATOM 1216 CG PRO A 78 15.425 -9.189 -1.327 1.00 30.12 C ATOM 1217 CD PRO A 78 15.786 -9.036 0.139 1.00 32.45 C ATOM 0 HA PRO A 78 17.000 -6.340 -0.788 1.00 41.12 H new ATOM 0 HB2 PRO A 78 15.809 -7.743 -2.912 1.00 20.25 H new ATOM 0 HB3 PRO A 78 17.261 -8.321 -2.119 1.00 20.25 H new ATOM 0 HG2 PRO A 78 14.354 -9.087 -1.500 1.00 30.12 H new ATOM 0 HG3 PRO A 78 15.721 -10.160 -1.725 1.00 30.12 H new ATOM 0 HD2 PRO A 78 15.051 -9.524 0.779 1.00 32.45 H new ATOM 0 HD3 PRO A 78 16.751 -9.493 0.357 1.00 32.45 H new ATOM 1225 N TYR A 79 13.910 -5.764 -0.639 1.00 12.12 N ATOM 1226 CA TYR A 79 12.868 -4.794 -0.963 1.00 45.02 C ATOM 1227 C TYR A 79 12.727 -3.722 0.123 1.00 22.13 C ATOM 1228 O TYR A 79 11.769 -2.947 0.120 1.00 24.34 O ATOM 1229 CB TYR A 79 11.548 -5.516 -1.262 1.00 41.34 C ATOM 1230 CG TYR A 79 11.546 -6.422 -2.483 1.00 31.44 C ATOM 1231 CD1 TYR A 79 12.437 -6.176 -3.538 1.00 63.11 C ATOM 1232 CD2 TYR A 79 10.649 -7.504 -2.599 1.00 43.44 C ATOM 1233 CE1 TYR A 79 12.477 -7.002 -4.655 1.00 43.53 C ATOM 1234 CE2 TYR A 79 10.691 -8.348 -3.717 1.00 53.34 C ATOM 1235 CZ TYR A 79 11.645 -8.135 -4.729 1.00 40.02 C ATOM 1236 OH TYR A 79 11.759 -9.020 -5.753 1.00 54.25 O ATOM 0 H TYR A 79 13.686 -6.345 0.169 1.00 12.12 H new ATOM 0 HA TYR A 79 13.161 -4.259 -1.866 1.00 45.02 H new ATOM 0 HB2 TYR A 79 11.278 -6.113 -0.391 1.00 41.34 H new ATOM 0 HB3 TYR A 79 10.767 -4.766 -1.389 1.00 41.34 H new ATOM 0 HD1 TYR A 79 13.104 -5.329 -3.481 1.00 63.11 H new ATOM 0 HD2 TYR A 79 9.923 -7.684 -1.820 1.00 43.44 H new ATOM 0 HE1 TYR A 79 13.149 -6.774 -5.469 1.00 43.53 H new ATOM 0 HE2 TYR A 79 9.989 -9.164 -3.802 1.00 53.34 H new ATOM 0 HH TYR A 79 11.104 -9.740 -5.638 1.00 54.25 H new ATOM 1246 N LYS A 80 13.660 -3.660 1.071 1.00 24.23 N ATOM 1247 CA LYS A 80 13.594 -2.725 2.193 1.00 20.53 C ATOM 1248 C LYS A 80 13.830 -1.286 1.768 1.00 32.54 C ATOM 1249 O LYS A 80 13.105 -0.407 2.222 1.00 4.01 O ATOM 1250 CB LYS A 80 14.626 -3.108 3.261 1.00 64.23 C ATOM 1251 CG LYS A 80 14.239 -4.375 4.030 1.00 64.05 C ATOM 1252 CD LYS A 80 13.084 -4.080 4.980 1.00 73.13 C ATOM 1253 CE LYS A 80 12.719 -5.297 5.825 1.00 3.42 C ATOM 1254 NZ LYS A 80 12.059 -4.850 7.066 1.00 12.43 N ATOM 0 H LYS A 80 14.486 -4.259 1.083 1.00 24.23 H new ATOM 0 HA LYS A 80 12.585 -2.792 2.599 1.00 20.53 H new ATOM 0 HB2 LYS A 80 15.596 -3.258 2.786 1.00 64.23 H new ATOM 0 HB3 LYS A 80 14.740 -2.282 3.963 1.00 64.23 H new ATOM 0 HG2 LYS A 80 13.953 -5.161 3.331 1.00 64.05 H new ATOM 0 HG3 LYS A 80 15.097 -4.745 4.592 1.00 64.05 H new ATOM 0 HD2 LYS A 80 13.354 -3.251 5.634 1.00 73.13 H new ATOM 0 HD3 LYS A 80 12.214 -3.762 4.406 1.00 73.13 H new ATOM 0 HE2 LYS A 80 12.057 -5.957 5.265 1.00 3.42 H new ATOM 0 HE3 LYS A 80 13.615 -5.871 6.063 1.00 3.42 H new ATOM 0 HZ1 LYS A 80 11.809 -5.678 7.644 1.00 12.43 H new ATOM 0 HZ2 LYS A 80 12.706 -4.236 7.602 1.00 12.43 H new ATOM 0 HZ3 LYS A 80 11.196 -4.320 6.829 1.00 12.43 H new ATOM 1268 N GLN A 81 14.865 -1.032 0.971 1.00 32.15 N ATOM 1269 CA GLN A 81 15.336 0.317 0.689 1.00 2.35 C ATOM 1270 C GLN A 81 14.755 0.874 -0.608 1.00 2.13 C ATOM 1271 O GLN A 81 15.198 1.937 -1.050 1.00 35.22 O ATOM 1272 CB GLN A 81 16.871 0.351 0.653 1.00 41.40 C ATOM 1273 CG GLN A 81 17.500 -0.037 1.999 1.00 64.03 C ATOM 1274 CD GLN A 81 18.969 0.380 2.085 1.00 33.14 C ATOM 1275 OE1 GLN A 81 19.453 1.233 1.341 1.00 72.40 O ATOM 1276 NE2 GLN A 81 19.735 -0.182 3.003 1.00 73.25 N ATOM 0 H GLN A 81 15.402 -1.761 0.501 1.00 32.15 H new ATOM 0 HA GLN A 81 14.985 0.958 1.497 1.00 2.35 H new ATOM 0 HB2 GLN A 81 17.228 -0.329 -0.121 1.00 41.40 H new ATOM 0 HB3 GLN A 81 17.203 1.352 0.376 1.00 41.40 H new ATOM 0 HG2 GLN A 81 16.942 0.432 2.809 1.00 64.03 H new ATOM 0 HG3 GLN A 81 17.420 -1.115 2.139 1.00 64.03 H new ATOM 0 HE21 GLN A 81 19.348 -0.890 3.627 1.00 73.25 H new ATOM 0 HE22 GLN A 81 20.714 0.092 3.088 1.00 73.25 H new ATOM 1285 N LEU A 82 13.792 0.183 -1.228 1.00 60.23 N ATOM 1286 CA LEU A 82 13.282 0.518 -2.557 1.00 41.24 C ATOM 1287 C LEU A 82 12.822 1.969 -2.639 1.00 30.35 C ATOM 1288 O LEU A 82 13.066 2.620 -3.651 1.00 1.02 O ATOM 1289 CB LEU A 82 12.126 -0.391 -2.977 1.00 5.33 C ATOM 1290 CG LEU A 82 12.443 -1.884 -3.078 1.00 33.44 C ATOM 1291 CD1 LEU A 82 11.180 -2.623 -3.523 1.00 61.33 C ATOM 1292 CD2 LEU A 82 13.586 -2.248 -4.021 1.00 61.54 C ATOM 0 H LEU A 82 13.342 -0.633 -0.814 1.00 60.23 H new ATOM 0 HA LEU A 82 14.117 0.367 -3.241 1.00 41.24 H new ATOM 0 HB2 LEU A 82 11.312 -0.261 -2.264 1.00 5.33 H new ATOM 0 HB3 LEU A 82 11.759 -0.052 -3.946 1.00 5.33 H new ATOM 0 HG LEU A 82 12.778 -2.184 -2.085 1.00 33.44 H new ATOM 0 HD11 LEU A 82 11.391 -3.690 -3.600 1.00 61.33 H new ATOM 0 HD12 LEU A 82 10.387 -2.461 -2.793 1.00 61.33 H new ATOM 0 HD13 LEU A 82 10.861 -2.246 -4.494 1.00 61.33 H new ATOM 0 HD21 LEU A 82 13.729 -3.329 -4.019 1.00 61.54 H new ATOM 0 HD22 LEU A 82 13.345 -1.915 -5.031 1.00 61.54 H new ATOM 0 HD23 LEU A 82 14.502 -1.760 -3.688 1.00 61.54 H new ATOM 1304 N LEU A 83 12.263 2.512 -1.550 1.00 14.52 N ATOM 1305 CA LEU A 83 11.901 3.925 -1.439 1.00 4.23 C ATOM 1306 C LEU A 83 13.046 4.892 -1.788 1.00 2.01 C ATOM 1307 O LEU A 83 12.775 6.063 -2.033 1.00 33.11 O ATOM 1308 CB LEU A 83 11.411 4.241 -0.010 1.00 43.22 C ATOM 1309 CG LEU A 83 9.898 4.061 0.194 1.00 45.35 C ATOM 1310 CD1 LEU A 83 9.588 4.129 1.694 1.00 0.22 C ATOM 1311 CD2 LEU A 83 9.077 5.130 -0.537 1.00 1.45 C ATOM 0 H LEU A 83 12.048 1.972 -0.712 1.00 14.52 H new ATOM 0 HA LEU A 83 11.109 4.081 -2.171 1.00 4.23 H new ATOM 0 HB2 LEU A 83 11.940 3.598 0.693 1.00 43.22 H new ATOM 0 HB3 LEU A 83 11.679 5.269 0.235 1.00 43.22 H new ATOM 0 HG LEU A 83 9.620 3.093 -0.222 1.00 45.35 H new ATOM 0 HD11 LEU A 83 8.517 4.002 1.850 1.00 0.22 H new ATOM 0 HD12 LEU A 83 10.127 3.336 2.213 1.00 0.22 H new ATOM 0 HD13 LEU A 83 9.900 5.097 2.087 1.00 0.22 H new ATOM 0 HD21 LEU A 83 8.015 4.957 -0.360 1.00 1.45 H new ATOM 0 HD22 LEU A 83 9.351 6.117 -0.164 1.00 1.45 H new ATOM 0 HD23 LEU A 83 9.280 5.077 -1.607 1.00 1.45 H new ATOM 1323 N LYS A 84 14.309 4.461 -1.828 1.00 13.02 N ATOM 1324 CA LYS A 84 15.447 5.274 -2.244 1.00 61.50 C ATOM 1325 C LYS A 84 16.126 4.704 -3.487 1.00 33.33 C ATOM 1326 O LYS A 84 16.577 5.477 -4.333 1.00 1.32 O ATOM 1327 CB LYS A 84 16.398 5.452 -1.055 1.00 35.55 C ATOM 1328 CG LYS A 84 17.524 6.437 -1.391 1.00 51.21 C ATOM 1329 CD LYS A 84 17.804 7.513 -0.325 1.00 42.01 C ATOM 1330 CE LYS A 84 18.278 8.816 -0.987 1.00 54.44 C ATOM 1331 NZ LYS A 84 19.453 8.645 -1.870 1.00 2.20 N ATOM 0 H LYS A 84 14.572 3.511 -1.564 1.00 13.02 H new ATOM 0 HA LYS A 84 15.101 6.263 -2.544 1.00 61.50 H new ATOM 0 HB2 LYS A 84 15.841 5.813 -0.191 1.00 35.55 H new ATOM 0 HB3 LYS A 84 16.825 4.488 -0.779 1.00 35.55 H new ATOM 0 HG2 LYS A 84 18.440 5.871 -1.560 1.00 51.21 H new ATOM 0 HG3 LYS A 84 17.279 6.935 -2.329 1.00 51.21 H new ATOM 0 HD2 LYS A 84 16.901 7.701 0.256 1.00 42.01 H new ATOM 0 HD3 LYS A 84 18.563 7.155 0.371 1.00 42.01 H new ATOM 0 HE2 LYS A 84 17.457 9.237 -1.568 1.00 54.44 H new ATOM 0 HE3 LYS A 84 18.522 9.540 -0.209 1.00 54.44 H new ATOM 0 HZ1 LYS A 84 19.757 9.573 -2.227 1.00 2.20 H new ATOM 0 HZ2 LYS A 84 20.230 8.209 -1.333 1.00 2.20 H new ATOM 0 HZ3 LYS A 84 19.199 8.032 -2.671 1.00 2.20 H new ATOM 1345 N GLU A 85 16.179 3.383 -3.628 1.00 1.13 N ATOM 1346 CA GLU A 85 16.730 2.733 -4.817 1.00 73.02 C ATOM 1347 C GLU A 85 16.004 3.211 -6.077 1.00 42.23 C ATOM 1348 O GLU A 85 16.644 3.553 -7.073 1.00 22.40 O ATOM 1349 CB GLU A 85 16.611 1.201 -4.723 1.00 24.00 C ATOM 1350 CG GLU A 85 17.353 0.599 -3.525 1.00 43.23 C ATOM 1351 CD GLU A 85 17.505 -0.923 -3.645 1.00 61.22 C ATOM 1352 OE1 GLU A 85 18.202 -1.387 -4.577 1.00 10.54 O ATOM 1353 OE2 GLU A 85 16.970 -1.668 -2.791 1.00 51.32 O ATOM 0 H GLU A 85 15.841 2.730 -2.921 1.00 1.13 H new ATOM 0 HA GLU A 85 17.784 3.004 -4.875 1.00 73.02 H new ATOM 0 HB2 GLU A 85 15.557 0.930 -4.660 1.00 24.00 H new ATOM 0 HB3 GLU A 85 17.000 0.758 -5.640 1.00 24.00 H new ATOM 0 HG2 GLU A 85 18.339 1.056 -3.443 1.00 43.23 H new ATOM 0 HG3 GLU A 85 16.814 0.838 -2.608 1.00 43.23 H new ATOM 1360 N GLU A 86 14.672 3.242 -6.025 1.00 41.35 N ATOM 1361 CA GLU A 86 13.795 3.321 -7.189 1.00 5.24 C ATOM 1362 C GLU A 86 13.206 4.727 -7.317 1.00 12.21 C ATOM 1363 O GLU A 86 12.653 5.092 -8.350 1.00 2.33 O ATOM 1364 CB GLU A 86 12.656 2.316 -6.962 1.00 22.23 C ATOM 1365 CG GLU A 86 13.078 0.845 -6.913 1.00 64.23 C ATOM 1366 CD GLU A 86 13.137 0.291 -8.318 1.00 64.45 C ATOM 1367 OE1 GLU A 86 12.084 -0.168 -8.811 1.00 13.12 O ATOM 1368 OE2 GLU A 86 14.223 0.292 -8.939 1.00 12.13 O ATOM 0 H GLU A 86 14.160 3.212 -5.143 1.00 41.35 H new ATOM 0 HA GLU A 86 14.351 3.098 -8.100 1.00 5.24 H new ATOM 0 HB2 GLU A 86 12.156 2.564 -6.026 1.00 22.23 H new ATOM 0 HB3 GLU A 86 11.921 2.439 -7.758 1.00 22.23 H new ATOM 0 HG2 GLU A 86 14.052 0.751 -6.432 1.00 64.23 H new ATOM 0 HG3 GLU A 86 12.370 0.272 -6.314 1.00 64.23 H new ATOM 1375 N LEU A 87 13.289 5.518 -6.246 1.00 73.12 N ATOM 1376 CA LEU A 87 12.561 6.764 -6.073 1.00 54.22 C ATOM 1377 C LEU A 87 13.527 7.874 -5.703 1.00 4.22 C ATOM 1378 O LEU A 87 13.657 8.832 -6.464 1.00 33.23 O ATOM 1379 CB LEU A 87 11.462 6.608 -5.006 1.00 5.34 C ATOM 1380 CG LEU A 87 10.193 5.916 -5.511 1.00 23.13 C ATOM 1381 CD1 LEU A 87 10.337 4.412 -5.574 1.00 23.44 C ATOM 1382 CD2 LEU A 87 8.991 6.258 -4.630 1.00 23.30 C ATOM 0 H LEU A 87 13.888 5.296 -5.451 1.00 73.12 H new ATOM 0 HA LEU A 87 12.074 7.025 -7.013 1.00 54.22 H new ATOM 0 HB2 LEU A 87 11.863 6.040 -4.167 1.00 5.34 H new ATOM 0 HB3 LEU A 87 11.198 7.595 -4.625 1.00 5.34 H new ATOM 0 HG LEU A 87 10.032 6.289 -6.522 1.00 23.13 H new ATOM 0 HD11 LEU A 87 9.408 3.973 -5.938 1.00 23.44 H new ATOM 0 HD12 LEU A 87 11.151 4.152 -6.251 1.00 23.44 H new ATOM 0 HD13 LEU A 87 10.555 4.025 -4.579 1.00 23.44 H new ATOM 0 HD21 LEU A 87 8.104 5.753 -5.012 1.00 23.30 H new ATOM 0 HD22 LEU A 87 9.183 5.930 -3.609 1.00 23.30 H new ATOM 0 HD23 LEU A 87 8.827 7.336 -4.640 1.00 23.30 H new ATOM 1394 N GLY A 88 14.149 7.755 -4.526 1.00 14.32 N ATOM 1395 CA GLY A 88 15.030 8.764 -3.947 1.00 3.53 C ATOM 1396 C GLY A 88 14.461 9.379 -2.664 1.00 52.33 C ATOM 1397 O GLY A 88 14.930 10.432 -2.236 1.00 50.25 O ATOM 0 H GLY A 88 14.048 6.929 -3.936 1.00 14.32 H new ATOM 0 HA2 GLY A 88 15.999 8.314 -3.731 1.00 3.53 H new ATOM 0 HA3 GLY A 88 15.202 9.554 -4.679 1.00 3.53 H new ATOM 1401 N PHE A 89 13.424 8.787 -2.071 1.00 23.33 N ATOM 1402 CA PHE A 89 12.782 9.243 -0.845 1.00 51.02 C ATOM 1403 C PHE A 89 13.509 8.669 0.381 1.00 5.44 C ATOM 1404 O PHE A 89 14.248 7.680 0.306 1.00 3.44 O ATOM 1405 CB PHE A 89 11.306 8.801 -0.887 1.00 73.22 C ATOM 1406 CG PHE A 89 10.432 9.288 0.255 1.00 64.43 C ATOM 1407 CD1 PHE A 89 9.817 10.552 0.188 1.00 72.20 C ATOM 1408 CD2 PHE A 89 10.198 8.455 1.367 1.00 40.24 C ATOM 1409 CE1 PHE A 89 8.980 10.983 1.232 1.00 75.41 C ATOM 1410 CE2 PHE A 89 9.360 8.887 2.407 1.00 4.41 C ATOM 1411 CZ PHE A 89 8.754 10.153 2.343 1.00 64.22 C ATOM 0 H PHE A 89 12.994 7.943 -2.449 1.00 23.33 H new ATOM 0 HA PHE A 89 12.831 10.329 -0.766 1.00 51.02 H new ATOM 0 HB2 PHE A 89 10.870 9.147 -1.824 1.00 73.22 H new ATOM 0 HB3 PHE A 89 11.274 7.712 -0.903 1.00 73.22 H new ATOM 0 HD1 PHE A 89 9.988 11.191 -0.666 1.00 72.20 H new ATOM 0 HD2 PHE A 89 10.664 7.482 1.419 1.00 40.24 H new ATOM 0 HE1 PHE A 89 8.510 11.954 1.180 1.00 75.41 H new ATOM 0 HE2 PHE A 89 9.181 8.246 3.257 1.00 4.41 H new ATOM 0 HZ PHE A 89 8.115 10.488 3.147 1.00 64.22 H new ATOM 1567 N ARG A 100 -1.334 12.353 8.275 1.00 41.00 N ATOM 1568 CA ARG A 100 -1.785 12.011 6.923 1.00 73.01 C ATOM 1569 C ARG A 100 -0.633 11.650 5.986 1.00 52.44 C ATOM 1570 O ARG A 100 -0.896 11.281 4.846 1.00 65.11 O ATOM 1571 CB ARG A 100 -2.672 13.129 6.357 1.00 35.32 C ATOM 1572 CG ARG A 100 -4.007 13.174 7.109 1.00 53.23 C ATOM 1573 CD ARG A 100 -4.902 14.335 6.659 1.00 4.23 C ATOM 1574 NE ARG A 100 -5.542 14.961 7.826 1.00 11.24 N ATOM 1575 CZ ARG A 100 -6.684 15.653 7.848 1.00 11.33 C ATOM 1576 NH1 ARG A 100 -7.512 15.693 6.814 1.00 22.25 N ATOM 1577 NH2 ARG A 100 -6.999 16.344 8.931 1.00 50.32 N ATOM 0 HA ARG A 100 -2.388 11.106 6.997 1.00 73.01 H new ATOM 0 HB2 ARG A 100 -2.163 14.089 6.447 1.00 35.32 H new ATOM 0 HB3 ARG A 100 -2.850 12.960 5.295 1.00 35.32 H new ATOM 0 HG2 ARG A 100 -4.536 12.233 6.958 1.00 53.23 H new ATOM 0 HG3 ARG A 100 -3.814 13.263 8.178 1.00 53.23 H new ATOM 0 HD2 ARG A 100 -4.309 15.074 6.120 1.00 4.23 H new ATOM 0 HD3 ARG A 100 -5.663 13.971 5.968 1.00 4.23 H new ATOM 0 HE ARG A 100 -5.060 14.855 8.718 1.00 11.24 H new ATOM 0 HH11 ARG A 100 -7.287 15.183 5.960 1.00 22.25 H new ATOM 0 HH12 ARG A 100 -8.375 16.234 6.872 1.00 22.25 H new ATOM 0 HH21 ARG A 100 -6.373 16.344 9.736 1.00 50.32 H new ATOM 0 HH22 ARG A 100 -7.868 16.877 8.961 1.00 50.32 H new ATOM 1591 N LYS A 101 0.628 11.730 6.416 1.00 74.21 N ATOM 1592 CA LYS A 101 1.790 11.383 5.614 1.00 31.15 C ATOM 1593 C LYS A 101 2.470 10.145 6.184 1.00 31.13 C ATOM 1594 O LYS A 101 2.630 9.174 5.453 1.00 45.43 O ATOM 1595 CB LYS A 101 2.714 12.601 5.554 1.00 34.34 C ATOM 1596 CG LYS A 101 2.295 13.560 4.429 1.00 22.30 C ATOM 1597 CD LYS A 101 3.210 14.786 4.434 1.00 42.41 C ATOM 1598 CE LYS A 101 3.355 15.442 3.061 1.00 4.41 C ATOM 1599 NZ LYS A 101 2.151 16.204 2.681 1.00 22.34 N ATOM 0 H LYS A 101 0.869 12.046 7.355 1.00 74.21 H new ATOM 0 HA LYS A 101 1.501 11.128 4.594 1.00 31.15 H new ATOM 0 HB2 LYS A 101 2.692 13.125 6.509 1.00 34.34 H new ATOM 0 HB3 LYS A 101 3.741 12.274 5.393 1.00 34.34 H new ATOM 0 HG2 LYS A 101 2.353 13.054 3.465 1.00 22.30 H new ATOM 0 HG3 LYS A 101 1.258 13.867 4.566 1.00 22.30 H new ATOM 0 HD2 LYS A 101 2.818 15.519 5.139 1.00 42.41 H new ATOM 0 HD3 LYS A 101 4.196 14.493 4.794 1.00 42.41 H new ATOM 0 HE2 LYS A 101 4.218 16.108 3.067 1.00 4.41 H new ATOM 0 HE3 LYS A 101 3.550 14.675 2.312 1.00 4.41 H new ATOM 0 HZ1 LYS A 101 2.189 16.431 1.667 1.00 22.34 H new ATOM 0 HZ2 LYS A 101 1.303 15.634 2.877 1.00 22.34 H new ATOM 0 HZ3 LYS A 101 2.110 17.086 3.231 1.00 22.34 H new ATOM 1613 N THR A 102 2.806 10.130 7.476 1.00 1.35 N ATOM 1614 CA THR A 102 3.492 9.014 8.139 1.00 31.15 C ATOM 1615 C THR A 102 2.810 7.679 7.826 1.00 13.04 C ATOM 1616 O THR A 102 3.416 6.723 7.348 1.00 14.22 O ATOM 1617 CB THR A 102 3.497 9.268 9.660 1.00 65.24 C ATOM 1618 OG1 THR A 102 2.187 9.631 10.074 1.00 70.15 O ATOM 1619 CG2 THR A 102 4.465 10.390 10.034 1.00 22.34 C ATOM 0 H THR A 102 2.606 10.908 8.105 1.00 1.35 H new ATOM 0 HA THR A 102 4.515 8.954 7.767 1.00 31.15 H new ATOM 0 HB THR A 102 3.820 8.354 10.159 1.00 65.24 H new ATOM 0 HG1 THR A 102 2.182 9.792 11.041 1.00 70.15 H new ATOM 0 HG21 THR A 102 4.444 10.544 11.113 1.00 22.34 H new ATOM 0 HG22 THR A 102 5.474 10.118 9.725 1.00 22.34 H new ATOM 0 HG23 THR A 102 4.168 11.310 9.531 1.00 22.34 H new ATOM 1627 N ARG A 103 1.504 7.615 8.072 1.00 24.34 N ATOM 1628 CA ARG A 103 0.675 6.440 7.843 1.00 44.40 C ATOM 1629 C ARG A 103 0.754 5.932 6.402 1.00 41.10 C ATOM 1630 O ARG A 103 0.846 4.724 6.196 1.00 63.41 O ATOM 1631 CB ARG A 103 -0.750 6.807 8.274 1.00 42.40 C ATOM 1632 CG ARG A 103 -0.963 6.509 9.771 1.00 24.43 C ATOM 1633 CD ARG A 103 -1.789 7.579 10.486 1.00 51.40 C ATOM 1634 NE ARG A 103 -2.262 7.096 11.791 1.00 5.21 N ATOM 1635 CZ ARG A 103 -3.233 7.640 12.529 1.00 23.44 C ATOM 1636 NH1 ARG A 103 -3.739 8.826 12.216 1.00 41.00 N ATOM 1637 NH2 ARG A 103 -3.686 6.982 13.588 1.00 23.42 N ATOM 0 H ARG A 103 0.980 8.405 8.448 1.00 24.34 H new ATOM 0 HA ARG A 103 1.038 5.600 8.435 1.00 44.40 H new ATOM 0 HB2 ARG A 103 -0.933 7.864 8.079 1.00 42.40 H new ATOM 0 HB3 ARG A 103 -1.471 6.244 7.680 1.00 42.40 H new ATOM 0 HG2 ARG A 103 -1.460 5.545 9.876 1.00 24.43 H new ATOM 0 HG3 ARG A 103 0.008 6.422 10.259 1.00 24.43 H new ATOM 0 HD2 ARG A 103 -1.186 8.477 10.623 1.00 51.40 H new ATOM 0 HD3 ARG A 103 -2.642 7.859 9.867 1.00 51.40 H new ATOM 0 HE ARG A 103 -1.805 6.266 12.169 1.00 5.21 H new ATOM 0 HH11 ARG A 103 -3.387 9.333 11.404 1.00 41.00 H new ATOM 0 HH12 ARG A 103 -4.480 9.231 12.787 1.00 41.00 H new ATOM 0 HH21 ARG A 103 -3.293 6.072 13.830 1.00 23.42 H new ATOM 0 HH22 ARG A 103 -4.427 7.386 14.161 1.00 23.42 H new ATOM 1651 N ARG A 104 0.750 6.824 5.408 1.00 71.25 N ATOM 1652 CA ARG A 104 0.857 6.418 4.010 1.00 31.41 C ATOM 1653 C ARG A 104 2.258 5.932 3.663 1.00 74.50 C ATOM 1654 O ARG A 104 2.368 4.975 2.905 1.00 41.53 O ATOM 1655 CB ARG A 104 0.460 7.570 3.082 1.00 61.13 C ATOM 1656 CG ARG A 104 -1.049 7.612 2.775 1.00 4.31 C ATOM 1657 CD ARG A 104 -1.576 9.030 2.970 1.00 34.24 C ATOM 1658 NE ARG A 104 -2.851 9.284 2.286 1.00 34.12 N ATOM 1659 CZ ARG A 104 -3.393 10.506 2.201 1.00 40.34 C ATOM 1660 NH1 ARG A 104 -2.919 11.522 2.914 1.00 73.02 N ATOM 1661 NH2 ARG A 104 -4.449 10.725 1.433 1.00 22.33 N ATOM 0 H ARG A 104 0.674 7.831 5.549 1.00 71.25 H new ATOM 0 HA ARG A 104 0.169 5.585 3.865 1.00 31.41 H new ATOM 0 HB2 ARG A 104 0.757 8.514 3.538 1.00 61.13 H new ATOM 0 HB3 ARG A 104 1.012 7.480 2.146 1.00 61.13 H new ATOM 0 HG2 ARG A 104 -1.231 7.284 1.751 1.00 4.31 H new ATOM 0 HG3 ARG A 104 -1.582 6.923 3.430 1.00 4.31 H new ATOM 0 HD2 ARG A 104 -1.702 9.218 4.036 1.00 34.24 H new ATOM 0 HD3 ARG A 104 -0.831 9.738 2.607 1.00 34.24 H new ATOM 0 HE ARG A 104 -3.343 8.499 1.859 1.00 34.12 H new ATOM 0 HH11 ARG A 104 -2.127 11.379 3.541 1.00 73.02 H new ATOM 0 HH12 ARG A 104 -3.347 12.445 2.834 1.00 73.02 H new ATOM 0 HH21 ARG A 104 -4.858 9.959 0.898 1.00 22.33 H new ATOM 0 HH22 ARG A 104 -4.853 11.660 1.376 1.00 22.33 H new ATOM 1675 N ALA A 105 3.321 6.529 4.204 1.00 13.41 N ATOM 1676 CA ALA A 105 4.689 6.268 3.755 1.00 32.12 C ATOM 1677 C ALA A 105 5.048 4.776 3.750 1.00 70.10 C ATOM 1678 O ALA A 105 5.687 4.287 2.814 1.00 44.41 O ATOM 1679 CB ALA A 105 5.663 7.036 4.645 1.00 0.41 C ATOM 0 H ALA A 105 3.258 7.206 4.964 1.00 13.41 H new ATOM 0 HA ALA A 105 4.762 6.607 2.722 1.00 32.12 H new ATOM 0 HB1 ALA A 105 6.684 6.846 4.316 1.00 0.41 H new ATOM 0 HB2 ALA A 105 5.453 8.103 4.578 1.00 0.41 H new ATOM 0 HB3 ALA A 105 5.548 6.708 5.678 1.00 0.41 H new ATOM 1685 N THR A 106 4.607 4.048 4.774 1.00 63.41 N ATOM 1686 CA THR A 106 4.702 2.599 4.858 1.00 43.24 C ATOM 1687 C THR A 106 4.097 1.895 3.627 1.00 25.23 C ATOM 1688 O THR A 106 4.726 0.975 3.093 1.00 34.14 O ATOM 1689 CB THR A 106 4.041 2.185 6.188 1.00 72.21 C ATOM 1690 OG1 THR A 106 4.864 2.452 7.307 1.00 35.25 O ATOM 1691 CG2 THR A 106 3.657 0.718 6.258 1.00 24.55 C ATOM 0 H THR A 106 4.161 4.466 5.590 1.00 63.41 H new ATOM 0 HA THR A 106 5.744 2.280 4.850 1.00 43.24 H new ATOM 0 HB THR A 106 3.137 2.793 6.218 1.00 72.21 H new ATOM 0 HG1 THR A 106 4.403 2.175 8.126 1.00 35.25 H new ATOM 0 HG21 THR A 106 3.199 0.508 7.224 1.00 24.55 H new ATOM 0 HG22 THR A 106 2.948 0.489 5.462 1.00 24.55 H new ATOM 0 HG23 THR A 106 4.548 0.102 6.138 1.00 24.55 H new ATOM 1699 N MET A 107 2.885 2.263 3.192 1.00 42.22 N ATOM 1700 CA MET A 107 2.166 1.544 2.156 1.00 11.14 C ATOM 1701 C MET A 107 2.894 1.680 0.820 1.00 40.25 C ATOM 1702 O MET A 107 2.923 0.720 0.051 1.00 32.13 O ATOM 1703 CB MET A 107 0.689 2.009 2.137 1.00 22.23 C ATOM 1704 CG MET A 107 0.382 3.205 1.219 1.00 4.34 C ATOM 1705 SD MET A 107 -1.000 4.299 1.690 1.00 70.01 S ATOM 1706 CE MET A 107 -2.430 3.191 1.757 1.00 2.32 C ATOM 0 H MET A 107 2.382 3.072 3.556 1.00 42.22 H new ATOM 0 HA MET A 107 2.144 0.475 2.365 1.00 11.14 H new ATOM 0 HB2 MET A 107 0.066 1.169 1.830 1.00 22.23 H new ATOM 0 HB3 MET A 107 0.395 2.269 3.154 1.00 22.23 H new ATOM 0 HG2 MET A 107 1.283 3.814 1.148 1.00 4.34 H new ATOM 0 HG3 MET A 107 0.179 2.818 0.220 1.00 4.34 H new ATOM 0 HE1 MET A 107 -3.260 3.697 2.251 1.00 2.32 H new ATOM 0 HE2 MET A 107 -2.724 2.915 0.744 1.00 2.32 H new ATOM 0 HE3 MET A 107 -2.168 2.293 2.316 1.00 2.32 H new ATOM 1716 N THR A 108 3.545 2.821 0.548 1.00 1.31 N ATOM 1717 CA THR A 108 4.221 3.048 -0.720 1.00 1.22 C ATOM 1718 C THR A 108 5.334 2.023 -0.928 1.00 71.43 C ATOM 1719 O THR A 108 5.437 1.440 -2.007 1.00 70.51 O ATOM 1720 CB THR A 108 4.733 4.496 -0.778 1.00 4.30 C ATOM 1721 OG1 THR A 108 3.783 5.386 -0.214 1.00 71.02 O ATOM 1722 CG2 THR A 108 5.008 4.925 -2.222 1.00 42.31 C ATOM 0 H THR A 108 3.613 3.602 1.201 1.00 1.31 H new ATOM 0 HA THR A 108 3.518 2.913 -1.542 1.00 1.22 H new ATOM 0 HB THR A 108 5.660 4.535 -0.206 1.00 4.30 H new ATOM 0 HG1 THR A 108 3.855 6.261 -0.650 1.00 71.02 H new ATOM 0 HG21 THR A 108 5.369 5.953 -2.234 1.00 42.31 H new ATOM 0 HG22 THR A 108 5.763 4.271 -2.659 1.00 42.31 H new ATOM 0 HG23 THR A 108 4.088 4.857 -2.803 1.00 42.31 H new ATOM 1730 N ASN A 109 6.122 1.718 0.110 1.00 44.22 N ATOM 1731 CA ASN A 109 7.204 0.751 -0.059 1.00 44.14 C ATOM 1732 C ASN A 109 6.661 -0.659 -0.305 1.00 3.42 C ATOM 1733 O ASN A 109 7.287 -1.447 -1.006 1.00 0.14 O ATOM 1734 CB ASN A 109 8.148 0.725 1.151 1.00 14.14 C ATOM 1735 CG ASN A 109 9.511 0.121 0.782 1.00 54.31 C ATOM 1736 OD1 ASN A 109 10.476 0.845 0.566 1.00 22.34 O ATOM 1737 ND2 ASN A 109 9.615 -1.194 0.684 1.00 20.41 N ATOM 0 H ASN A 109 6.034 2.114 1.046 1.00 44.22 H new ATOM 0 HA ASN A 109 7.769 1.076 -0.933 1.00 44.14 H new ATOM 0 HB2 ASN A 109 8.287 1.738 1.529 1.00 14.14 H new ATOM 0 HB3 ASN A 109 7.696 0.144 1.955 1.00 14.14 H new ATOM 0 HD21 ASN A 109 10.506 -1.617 0.426 1.00 20.41 H new ATOM 0 HD22 ASN A 109 8.804 -1.785 0.867 1.00 20.41 H new ATOM 1744 N TRP A 110 5.500 -1.000 0.259 1.00 31.24 N ATOM 1745 CA TRP A 110 4.875 -2.287 -0.018 1.00 24.24 C ATOM 1746 C TRP A 110 4.406 -2.362 -1.471 1.00 22.23 C ATOM 1747 O TRP A 110 4.528 -3.425 -2.079 1.00 54.44 O ATOM 1748 CB TRP A 110 3.701 -2.528 0.932 1.00 10.12 C ATOM 1749 CG TRP A 110 2.935 -3.792 0.676 1.00 31.05 C ATOM 1750 CD1 TRP A 110 3.107 -4.975 1.299 1.00 4.11 C ATOM 1751 CD2 TRP A 110 1.795 -3.985 -0.206 1.00 30.32 C ATOM 1752 NE1 TRP A 110 2.202 -5.904 0.811 1.00 40.43 N ATOM 1753 CE2 TRP A 110 1.340 -5.332 -0.104 1.00 32.14 C ATOM 1754 CE3 TRP A 110 1.068 -3.119 -1.038 1.00 23.20 C ATOM 1755 CZ2 TRP A 110 0.216 -5.789 -0.815 1.00 43.12 C ATOM 1756 CZ3 TRP A 110 -0.025 -3.570 -1.791 1.00 1.25 C ATOM 1757 CH2 TRP A 110 -0.440 -4.905 -1.689 1.00 70.02 C ATOM 0 H TRP A 110 4.980 -0.405 0.905 1.00 31.24 H new ATOM 0 HA TRP A 110 5.619 -3.067 0.143 1.00 24.24 H new ATOM 0 HB2 TRP A 110 4.078 -2.549 1.955 1.00 10.12 H new ATOM 0 HB3 TRP A 110 3.015 -1.684 0.862 1.00 10.12 H new ATOM 0 HD1 TRP A 110 3.842 -5.170 2.066 1.00 4.11 H new ATOM 0 HE1 TRP A 110 2.176 -6.884 1.092 1.00 40.43 H new ATOM 0 HE3 TRP A 110 1.358 -2.080 -1.099 1.00 23.20 H new ATOM 0 HZ2 TRP A 110 -0.137 -6.802 -0.692 1.00 43.12 H new ATOM 0 HZ3 TRP A 110 -0.546 -2.890 -2.449 1.00 1.25 H new ATOM 0 HH2 TRP A 110 -1.269 -5.256 -2.286 1.00 70.02 H new ATOM 1768 N LEU A 111 3.875 -1.268 -2.026 1.00 53.13 N ATOM 1769 CA LEU A 111 3.322 -1.264 -3.380 1.00 72.42 C ATOM 1770 C LEU A 111 4.454 -1.564 -4.363 1.00 33.31 C ATOM 1771 O LEU A 111 4.349 -2.430 -5.233 1.00 64.41 O ATOM 1772 CB LEU A 111 2.637 0.085 -3.696 1.00 50.33 C ATOM 1773 CG LEU A 111 1.194 0.219 -3.164 1.00 31.33 C ATOM 1774 CD1 LEU A 111 0.894 1.608 -2.596 1.00 34.13 C ATOM 1775 CD2 LEU A 111 0.162 -0.081 -4.254 1.00 21.12 C ATOM 0 H LEU A 111 3.817 -0.367 -1.551 1.00 53.13 H new ATOM 0 HA LEU A 111 2.553 -2.031 -3.469 1.00 72.42 H new ATOM 0 HB2 LEU A 111 3.240 0.890 -3.276 1.00 50.33 H new ATOM 0 HB3 LEU A 111 2.625 0.226 -4.777 1.00 50.33 H new ATOM 0 HG LEU A 111 1.118 -0.514 -2.360 1.00 31.33 H new ATOM 0 HD11 LEU A 111 -0.135 1.640 -2.238 1.00 34.13 H new ATOM 0 HD12 LEU A 111 1.573 1.817 -1.769 1.00 34.13 H new ATOM 0 HD13 LEU A 111 1.030 2.357 -3.376 1.00 34.13 H new ATOM 0 HD21 LEU A 111 -0.842 0.023 -3.843 1.00 21.12 H new ATOM 0 HD22 LEU A 111 0.291 0.619 -5.079 1.00 21.12 H new ATOM 0 HD23 LEU A 111 0.302 -1.099 -4.617 1.00 21.12 H new ATOM 1787 N LEU A 112 5.579 -0.876 -4.186 1.00 31.03 N ATOM 1788 CA LEU A 112 6.654 -0.881 -5.169 1.00 64.45 C ATOM 1789 C LEU A 112 7.603 -2.080 -4.976 1.00 0.23 C ATOM 1790 O LEU A 112 8.300 -2.468 -5.909 1.00 13.15 O ATOM 1791 CB LEU A 112 7.237 0.544 -5.222 1.00 64.12 C ATOM 1792 CG LEU A 112 8.571 0.981 -4.645 1.00 50.34 C ATOM 1793 CD1 LEU A 112 8.726 0.518 -3.212 1.00 64.12 C ATOM 1794 CD2 LEU A 112 9.709 0.643 -5.594 1.00 3.21 C ATOM 0 H LEU A 112 5.769 -0.304 -3.363 1.00 31.03 H new ATOM 0 HA LEU A 112 6.314 -1.081 -6.185 1.00 64.45 H new ATOM 0 HB2 LEU A 112 7.271 0.810 -6.279 1.00 64.12 H new ATOM 0 HB3 LEU A 112 6.489 1.186 -4.756 1.00 64.12 H new ATOM 0 HG LEU A 112 8.608 2.068 -4.568 1.00 50.34 H new ATOM 0 HD11 LEU A 112 9.691 0.846 -2.826 1.00 64.12 H new ATOM 0 HD12 LEU A 112 7.928 0.944 -2.604 1.00 64.12 H new ATOM 0 HD13 LEU A 112 8.670 -0.570 -3.173 1.00 64.12 H new ATOM 0 HD21 LEU A 112 10.654 0.966 -5.158 1.00 3.21 H new ATOM 0 HD22 LEU A 112 9.736 -0.434 -5.761 1.00 3.21 H new ATOM 0 HD23 LEU A 112 9.554 1.154 -6.544 1.00 3.21 H new ATOM 1806 N ALA A 113 7.534 -2.754 -3.820 1.00 20.05 N ATOM 1807 CA ALA A 113 8.045 -4.118 -3.589 1.00 13.34 C ATOM 1808 C ALA A 113 7.129 -5.196 -4.179 1.00 3.01 C ATOM 1809 O ALA A 113 7.635 -6.208 -4.661 1.00 15.31 O ATOM 1810 CB ALA A 113 8.145 -4.351 -2.075 1.00 72.30 C ATOM 0 H ALA A 113 7.105 -2.352 -2.987 1.00 20.05 H new ATOM 0 HA ALA A 113 9.015 -4.195 -4.080 1.00 13.34 H new ATOM 0 HB1 ALA A 113 8.522 -5.356 -1.886 1.00 72.30 H new ATOM 0 HB2 ALA A 113 8.826 -3.620 -1.639 1.00 72.30 H new ATOM 0 HB3 ALA A 113 7.159 -4.242 -1.624 1.00 72.30 H new ATOM 1816 N TYR A 114 5.801 -5.025 -4.152 1.00 4.42 N ATOM 1817 CA TYR A 114 4.894 -6.062 -4.632 1.00 72.52 C ATOM 1818 C TYR A 114 5.169 -6.322 -6.108 1.00 24.04 C ATOM 1819 O TYR A 114 5.389 -7.471 -6.489 1.00 14.31 O ATOM 1820 CB TYR A 114 3.432 -5.674 -4.400 1.00 50.13 C ATOM 1821 CG TYR A 114 2.424 -6.663 -4.960 1.00 50.30 C ATOM 1822 CD1 TYR A 114 2.365 -7.981 -4.466 1.00 54.31 C ATOM 1823 CD2 TYR A 114 1.532 -6.262 -5.972 1.00 75.50 C ATOM 1824 CE1 TYR A 114 1.427 -8.894 -4.986 1.00 53.23 C ATOM 1825 CE2 TYR A 114 0.551 -7.150 -6.446 1.00 10.42 C ATOM 1826 CZ TYR A 114 0.512 -8.481 -5.983 1.00 65.34 C ATOM 1827 OH TYR A 114 -0.461 -9.326 -6.422 1.00 63.04 O ATOM 0 H TYR A 114 5.339 -4.184 -3.805 1.00 4.42 H new ATOM 0 HA TYR A 114 5.071 -6.978 -4.069 1.00 72.52 H new ATOM 0 HB2 TYR A 114 3.262 -5.568 -3.328 1.00 50.13 H new ATOM 0 HB3 TYR A 114 3.252 -4.697 -4.849 1.00 50.13 H new ATOM 0 HD1 TYR A 114 3.042 -8.293 -3.685 1.00 54.31 H new ATOM 0 HD2 TYR A 114 1.602 -5.267 -6.386 1.00 75.50 H new ATOM 0 HE1 TYR A 114 1.406 -9.911 -4.623 1.00 53.23 H new ATOM 0 HE2 TYR A 114 -0.177 -6.811 -7.169 1.00 10.42 H new ATOM 0 HH TYR A 114 -0.999 -8.877 -7.107 1.00 63.04 H new ATOM 1837 N ARG A 115 5.241 -5.263 -6.925 1.00 10.22 N ATOM 1838 CA ARG A 115 5.519 -5.424 -8.351 1.00 35.30 C ATOM 1839 C ARG A 115 6.803 -6.208 -8.599 1.00 62.22 C ATOM 1840 O ARG A 115 6.815 -7.056 -9.486 1.00 14.43 O ATOM 1841 CB ARG A 115 5.510 -4.087 -9.097 1.00 54.30 C ATOM 1842 CG ARG A 115 6.777 -3.261 -8.855 1.00 71.31 C ATOM 1843 CD ARG A 115 6.732 -1.915 -9.549 1.00 4.43 C ATOM 1844 NE ARG A 115 8.000 -1.209 -9.340 1.00 64.33 N ATOM 1845 CZ ARG A 115 8.416 -0.160 -10.050 1.00 2.35 C ATOM 1846 NH1 ARG A 115 7.634 0.377 -10.986 1.00 25.53 N ATOM 1847 NH2 ARG A 115 9.619 0.339 -9.819 1.00 62.32 N ATOM 0 H ARG A 115 5.112 -4.297 -6.624 1.00 10.22 H new ATOM 0 HA ARG A 115 4.702 -6.017 -8.763 1.00 35.30 H new ATOM 0 HB2 ARG A 115 5.403 -4.274 -10.166 1.00 54.30 H new ATOM 0 HB3 ARG A 115 4.640 -3.509 -8.785 1.00 54.30 H new ATOM 0 HG2 ARG A 115 6.909 -3.110 -7.784 1.00 71.31 H new ATOM 0 HG3 ARG A 115 7.644 -3.819 -9.208 1.00 71.31 H new ATOM 0 HD2 ARG A 115 6.552 -2.051 -10.615 1.00 4.43 H new ATOM 0 HD3 ARG A 115 5.905 -1.321 -9.159 1.00 4.43 H new ATOM 0 HE ARG A 115 8.610 -1.546 -8.595 1.00 64.33 H new ATOM 0 HH11 ARG A 115 6.709 -0.014 -11.164 1.00 25.53 H new ATOM 0 HH12 ARG A 115 7.960 1.179 -11.524 1.00 25.53 H new ATOM 0 HH21 ARG A 115 10.216 -0.079 -9.105 1.00 62.32 H new ATOM 0 HH22 ARG A 115 9.950 1.141 -10.355 1.00 62.32 H new ATOM 1861 N ARG A 116 7.865 -5.948 -7.818 1.00 41.32 N ATOM 1862 CA ARG A 116 9.146 -6.614 -7.972 1.00 40.14 C ATOM 1863 C ARG A 116 8.914 -8.111 -7.952 1.00 73.55 C ATOM 1864 O ARG A 116 9.188 -8.770 -8.945 1.00 44.43 O ATOM 1865 CB ARG A 116 10.141 -6.182 -6.887 1.00 0.51 C ATOM 1866 CG ARG A 116 10.721 -4.778 -7.027 1.00 71.45 C ATOM 1867 CD ARG A 116 11.569 -4.700 -8.298 1.00 23.43 C ATOM 1868 NE ARG A 116 12.855 -4.010 -8.112 1.00 11.30 N ATOM 1869 CZ ARG A 116 13.348 -3.051 -8.905 1.00 51.04 C ATOM 1870 NH1 ARG A 116 12.729 -2.719 -10.037 1.00 73.20 N ATOM 1871 NH2 ARG A 116 14.451 -2.411 -8.535 1.00 75.52 N ATOM 0 H ARG A 116 7.847 -5.264 -7.061 1.00 41.32 H new ATOM 0 HA ARG A 116 9.592 -6.328 -8.925 1.00 40.14 H new ATOM 0 HB2 ARG A 116 9.645 -6.253 -5.919 1.00 0.51 H new ATOM 0 HB3 ARG A 116 10.966 -6.894 -6.875 1.00 0.51 H new ATOM 0 HG2 ARG A 116 9.917 -4.043 -7.068 1.00 71.45 H new ATOM 0 HG3 ARG A 116 11.330 -4.536 -6.156 1.00 71.45 H new ATOM 0 HD2 ARG A 116 11.758 -5.711 -8.660 1.00 23.43 H new ATOM 0 HD3 ARG A 116 11.000 -4.186 -9.072 1.00 23.43 H new ATOM 0 HE ARG A 116 13.420 -4.286 -7.309 1.00 11.30 H new ATOM 0 HH11 ARG A 116 11.870 -3.197 -10.308 1.00 73.20 H new ATOM 0 HH12 ARG A 116 13.114 -1.986 -10.633 1.00 73.20 H new ATOM 0 HH21 ARG A 116 14.911 -2.653 -7.657 1.00 75.52 H new ATOM 0 HH22 ARG A 116 14.839 -1.678 -9.129 1.00 75.52 H new ATOM 1885 N SER A 117 8.322 -8.613 -6.872 1.00 52.02 N ATOM 1886 CA SER A 117 8.143 -10.035 -6.612 1.00 10.24 C ATOM 1887 C SER A 117 7.503 -10.789 -7.782 1.00 60.41 C ATOM 1888 O SER A 117 7.858 -11.933 -8.063 1.00 53.53 O ATOM 1889 CB SER A 117 7.314 -10.165 -5.330 1.00 54.33 C ATOM 1890 OG SER A 117 5.947 -9.815 -5.477 1.00 15.11 O ATOM 0 H SER A 117 7.943 -8.022 -6.132 1.00 52.02 H new ATOM 0 HA SER A 117 9.120 -10.502 -6.489 1.00 10.24 H new ATOM 0 HB2 SER A 117 7.377 -11.193 -4.974 1.00 54.33 H new ATOM 0 HB3 SER A 117 7.757 -9.534 -4.560 1.00 54.33 H new ATOM 0 HG SER A 117 5.871 -8.850 -5.632 1.00 15.11 H new ATOM 1896 N GLN A 118 6.558 -10.137 -8.456 1.00 72.23 N ATOM 1897 CA GLN A 118 5.713 -10.752 -9.480 1.00 4.30 C ATOM 1898 C GLN A 118 6.517 -11.228 -10.688 1.00 35.35 C ATOM 1899 O GLN A 118 6.211 -12.263 -11.272 1.00 60.45 O ATOM 1900 CB GLN A 118 4.632 -9.767 -9.939 1.00 15.25 C ATOM 1901 CG GLN A 118 3.646 -9.441 -8.817 1.00 1.15 C ATOM 1902 CD GLN A 118 2.637 -8.385 -9.235 1.00 0.41 C ATOM 1903 OE1 GLN A 118 2.978 -7.293 -9.680 1.00 4.31 O ATOM 1904 NE2 GLN A 118 1.357 -8.646 -9.078 1.00 42.02 N ATOM 0 H GLN A 118 6.354 -9.149 -8.304 1.00 72.23 H new ATOM 0 HA GLN A 118 5.249 -11.627 -9.025 1.00 4.30 H new ATOM 0 HB2 GLN A 118 5.103 -8.848 -10.288 1.00 15.25 H new ATOM 0 HB3 GLN A 118 4.092 -10.189 -10.786 1.00 15.25 H new ATOM 0 HG2 GLN A 118 3.120 -10.349 -8.522 1.00 1.15 H new ATOM 0 HG3 GLN A 118 4.195 -9.092 -7.942 1.00 1.15 H new ATOM 0 HE21 GLN A 118 1.062 -9.550 -8.709 1.00 42.02 H new ATOM 0 HE22 GLN A 118 0.659 -7.944 -9.325 1.00 42.02 H new