USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 791 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 46 SER OG : rot -150:sc= 0 USER MOD Set 1.2: A 64 HIS : no HE2:sc= -3.15! K(o=-3.1!,f=-3.9) USER MOD Set 2.1: A 10 HIS : no HD1:sc= 0.498 K(o=0.5,f=-3!) USER MOD Set 2.2: A 13 MET CE :methyl -162:sc= 0 (180deg=-0.438) USER MOD Single : A 9 TYR OH : rot 0:sc= -0.503! USER MOD Single : A 12 HIS : no HD1:sc= -0.0127 X(o=-0.013,f=-0.014) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -1.44 K(o=-1.4,f=-2.4) USER MOD Single : A 25 LYS NZ :NH3+ -130:sc= 0.813 (180deg=-0.107) USER MOD Single : A 30 THR OG1 : rot 62:sc= -0.469 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -100:sc= -0.992 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -41:sc= 0.0923 USER MOD Single : A 63 THR OG1 : rot -160:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -115:sc= -1.7! (180deg=-2.73!) USER MOD Single : A 69 CYS SG : rot 86:sc= 0.229 USER MOD Single : A 74 TYR OH : rot -61:sc= 1.52 USER MOD Single : A 75 THR OG1 : rot 147:sc= 1.17 USER MOD Single : A 81 THR OG1 : rot 110:sc= 0.894 USER MOD Single : A 84 SER OG : rot 180:sc= 0.0102 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.454 X(o=-0.45,f=-0.091) USER MOD Single : A 93 LYS NZ :NH3+ 171:sc= 0.288 (180deg=0.254) USER MOD Single : A 94 LYS NZ :NH3+ -148:sc= 0 (180deg=-1.26) USER MOD Single : A 95 THR OG1 : rot -85:sc= 0.704 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -1.45 K(o=-1.4,f=-4.6!) USER MOD Single : A 111 TYR OH : rot 58:sc= -0.244 USER MOD Single : A 112 TYR OH : rot 180:sc= -0.0815 USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 12 ASN :FLIP amide:sc=-0.00776 F(o=-0.79,f=-0.0078) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 5.584 -5.421 -12.470 1.00 0.00 N ATOM 60 CA GLY A 7 4.377 -5.262 -11.681 1.00 0.00 C ATOM 61 C GLY A 7 4.523 -4.207 -10.603 1.00 0.00 C ATOM 62 O GLY A 7 5.233 -3.217 -10.787 1.00 0.00 O ATOM 0 HA2 GLY A 7 3.550 -4.993 -12.338 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.120 -6.215 -11.219 1.00 0.00 H new ATOM 66 N TRP A 8 3.850 -4.415 -9.478 1.00 0.00 N ATOM 67 CA TRP A 8 3.907 -3.472 -8.367 1.00 0.00 C ATOM 68 C TRP A 8 4.393 -4.158 -7.095 1.00 0.00 C ATOM 69 O TRP A 8 4.004 -3.781 -5.989 1.00 0.00 O ATOM 70 CB TRP A 8 2.531 -2.846 -8.131 1.00 0.00 C ATOM 71 CG TRP A 8 1.396 -3.729 -8.557 1.00 0.00 C ATOM 72 CD1 TRP A 8 0.425 -3.432 -9.470 1.00 0.00 C ATOM 73 CD2 TRP A 8 1.115 -5.051 -8.084 1.00 0.00 C ATOM 74 NE1 TRP A 8 -0.443 -4.490 -9.594 1.00 0.00 N ATOM 75 CE2 TRP A 8 -0.041 -5.496 -8.755 1.00 0.00 C ATOM 76 CE3 TRP A 8 1.728 -5.903 -7.161 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -0.594 -6.753 -8.529 1.00 0.00 C ATOM 78 CZ3 TRP A 8 1.177 -7.150 -6.939 1.00 0.00 C ATOM 79 CH2 TRP A 8 0.026 -7.567 -7.621 1.00 0.00 C ATOM 0 H TRP A 8 3.258 -5.229 -9.310 1.00 0.00 H new ATOM 0 HA TRP A 8 4.616 -2.686 -8.626 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.423 -2.613 -7.072 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.471 -1.902 -8.673 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.350 -2.502 -10.015 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.255 -4.521 -10.211 1.00 0.00 H new ATOM 0 HE3 TRP A 8 2.616 -5.592 -6.631 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -1.482 -7.075 -9.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 1.642 -7.816 -6.227 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.379 -8.549 -7.426 1.00 0.00 H new ATOM 90 N TYR A 9 5.243 -5.164 -7.259 1.00 0.00 N ATOM 91 CA TYR A 9 5.780 -5.904 -6.123 1.00 0.00 C ATOM 92 C TYR A 9 7.223 -5.496 -5.841 1.00 0.00 C ATOM 93 O TYR A 9 8.092 -5.604 -6.706 1.00 0.00 O ATOM 94 CB TYR A 9 5.706 -7.409 -6.387 1.00 0.00 C ATOM 95 CG TYR A 9 5.771 -8.247 -5.130 1.00 0.00 C ATOM 96 CD1 TYR A 9 4.634 -8.473 -4.363 1.00 0.00 C ATOM 97 CD2 TYR A 9 6.967 -8.814 -4.710 1.00 0.00 C ATOM 98 CE1 TYR A 9 4.688 -9.237 -3.214 1.00 0.00 C ATOM 99 CE2 TYR A 9 7.030 -9.581 -3.562 1.00 0.00 C ATOM 100 CZ TYR A 9 5.888 -9.790 -2.818 1.00 0.00 C ATOM 101 OH TYR A 9 5.947 -10.553 -1.675 1.00 0.00 O ATOM 0 H TYR A 9 5.576 -5.487 -8.168 1.00 0.00 H new ATOM 0 HA TYR A 9 5.176 -5.665 -5.248 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.779 -7.632 -6.915 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.525 -7.695 -7.047 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.692 -8.044 -4.671 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.863 -8.653 -5.290 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.795 -9.401 -2.628 1.00 0.00 H new ATOM 0 HE2 TYR A 9 7.969 -10.014 -3.249 1.00 0.00 H new ATOM 0 HH TYR A 9 5.057 -10.602 -1.268 1.00 0.00 H new ATOM 111 N HIS A 10 7.470 -5.028 -4.621 1.00 0.00 N ATOM 112 CA HIS A 10 8.808 -4.604 -4.222 1.00 0.00 C ATOM 113 C HIS A 10 9.297 -5.409 -3.021 1.00 0.00 C ATOM 114 O HIS A 10 8.942 -5.119 -1.880 1.00 0.00 O ATOM 115 CB HIS A 10 8.815 -3.113 -3.887 1.00 0.00 C ATOM 116 CG HIS A 10 8.294 -2.248 -4.993 1.00 0.00 C ATOM 117 ND1 HIS A 10 9.098 -1.406 -5.732 1.00 0.00 N ATOM 118 CD2 HIS A 10 7.043 -2.100 -5.487 1.00 0.00 C ATOM 119 CE1 HIS A 10 8.364 -0.776 -6.631 1.00 0.00 C ATOM 120 NE2 HIS A 10 7.112 -1.179 -6.503 1.00 0.00 N ATOM 0 H HIS A 10 6.762 -4.933 -3.893 1.00 0.00 H new ATOM 0 HA HIS A 10 9.484 -4.784 -5.058 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.214 -2.947 -2.993 1.00 0.00 H new ATOM 0 HB3 HIS A 10 9.834 -2.808 -3.647 1.00 0.00 H new ATOM 0 HD2 HIS A 10 6.155 -2.611 -5.146 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.725 -0.054 -7.349 1.00 0.00 H new ATOM 0 HE2 HIS A 10 6.325 -0.858 -7.067 1.00 0.00 H new ATOM 129 N GLY A 11 10.112 -6.425 -3.289 1.00 0.00 N ATOM 130 CA GLY A 11 10.635 -7.257 -2.220 1.00 0.00 C ATOM 131 C GLY A 11 11.818 -6.622 -1.517 1.00 0.00 C ATOM 132 O GLY A 11 12.561 -5.844 -2.117 1.00 0.00 O ATOM 0 H GLY A 11 10.419 -6.687 -4.226 1.00 0.00 H new ATOM 0 HA2 GLY A 11 9.845 -7.449 -1.494 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.934 -8.222 -2.628 1.00 0.00 H new ATOM 136 N HIS A 12 11.994 -6.952 -0.242 1.00 0.00 N ATOM 137 CA HIS A 12 13.095 -6.408 0.544 1.00 0.00 C ATOM 138 C HIS A 12 12.902 -4.913 0.787 1.00 0.00 C ATOM 139 O HIS A 12 13.818 -4.119 0.583 1.00 0.00 O ATOM 140 CB HIS A 12 14.426 -6.653 -0.165 1.00 0.00 C ATOM 141 CG HIS A 12 15.613 -6.583 0.747 1.00 0.00 C ATOM 142 ND1 HIS A 12 16.553 -5.575 0.683 1.00 0.00 N ATOM 143 CD2 HIS A 12 16.009 -7.403 1.748 1.00 0.00 C ATOM 144 CE1 HIS A 12 17.476 -5.780 1.606 1.00 0.00 C ATOM 145 NE2 HIS A 12 17.169 -6.882 2.266 1.00 0.00 N ATOM 0 H HIS A 12 11.388 -7.594 0.269 1.00 0.00 H new ATOM 0 HA HIS A 12 13.107 -6.917 1.508 1.00 0.00 H new ATOM 0 HB2 HIS A 12 14.400 -7.634 -0.640 1.00 0.00 H new ATOM 0 HB3 HIS A 12 14.545 -5.917 -0.960 1.00 0.00 H new ATOM 0 HD2 HIS A 12 15.506 -8.300 2.078 1.00 0.00 H new ATOM 0 HE1 HIS A 12 18.336 -5.153 1.790 1.00 0.00 H new ATOM 0 HE2 HIS A 12 17.706 -7.281 3.036 1.00 0.00 H new ATOM 154 N MET A 13 11.704 -4.540 1.223 1.00 0.00 N ATOM 155 CA MET A 13 11.391 -3.141 1.495 1.00 0.00 C ATOM 156 C MET A 13 10.441 -3.016 2.681 1.00 0.00 C ATOM 157 O MET A 13 9.316 -3.514 2.643 1.00 0.00 O ATOM 158 CB MET A 13 10.771 -2.486 0.258 1.00 0.00 C ATOM 159 CG MET A 13 10.733 -0.968 0.329 1.00 0.00 C ATOM 160 SD MET A 13 10.793 -0.196 -1.299 1.00 0.00 S ATOM 161 CE MET A 13 9.065 -0.250 -1.763 1.00 0.00 C ATOM 0 H MET A 13 10.934 -5.186 1.396 1.00 0.00 H new ATOM 0 HA MET A 13 12.320 -2.628 1.742 1.00 0.00 H new ATOM 0 HB2 MET A 13 11.337 -2.786 -0.624 1.00 0.00 H new ATOM 0 HB3 MET A 13 9.756 -2.861 0.129 1.00 0.00 H new ATOM 0 HG2 MET A 13 9.824 -0.655 0.842 1.00 0.00 H new ATOM 0 HG3 MET A 13 11.574 -0.615 0.926 1.00 0.00 H new ATOM 0 HE1 MET A 13 8.973 -0.114 -2.841 1.00 0.00 H new ATOM 0 HE2 MET A 13 8.643 -1.215 -1.482 1.00 0.00 H new ATOM 0 HE3 MET A 13 8.525 0.546 -1.250 1.00 0.00 H new ATOM 171 N SER A 14 10.902 -2.349 3.734 1.00 0.00 N ATOM 172 CA SER A 14 10.094 -2.162 4.934 1.00 0.00 C ATOM 173 C SER A 14 9.136 -0.987 4.766 1.00 0.00 C ATOM 174 O SER A 14 9.080 -0.363 3.708 1.00 0.00 O ATOM 175 CB SER A 14 10.994 -1.931 6.149 1.00 0.00 C ATOM 176 OG SER A 14 11.883 -0.849 5.928 1.00 0.00 O ATOM 0 H SER A 14 11.830 -1.929 3.781 1.00 0.00 H new ATOM 0 HA SER A 14 9.507 -3.067 5.092 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.380 -1.728 7.027 1.00 0.00 H new ATOM 0 HB3 SER A 14 11.563 -2.836 6.361 1.00 0.00 H new ATOM 0 HG SER A 14 12.446 -0.721 6.720 1.00 0.00 H new ATOM 182 N GLY A 15 8.382 -0.692 5.821 1.00 0.00 N ATOM 183 CA GLY A 15 7.435 0.407 5.770 1.00 0.00 C ATOM 184 C GLY A 15 8.118 1.758 5.687 1.00 0.00 C ATOM 185 O GLY A 15 7.877 2.527 4.758 1.00 0.00 O ATOM 0 H GLY A 15 8.410 -1.194 6.709 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.782 0.280 4.907 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.801 0.378 6.656 1.00 0.00 H new ATOM 189 N GLY A 16 8.971 2.049 6.665 1.00 0.00 N ATOM 190 CA GLY A 16 9.676 3.317 6.681 1.00 0.00 C ATOM 191 C GLY A 16 10.165 3.726 5.305 1.00 0.00 C ATOM 192 O GLY A 16 10.127 4.904 4.952 1.00 0.00 O ATOM 0 H GLY A 16 9.186 1.429 7.446 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.017 4.091 7.074 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.526 3.248 7.360 1.00 0.00 H new ATOM 196 N GLN A 17 10.626 2.750 4.529 1.00 0.00 N ATOM 197 CA GLN A 17 11.127 3.017 3.186 1.00 0.00 C ATOM 198 C GLN A 17 9.981 3.345 2.234 1.00 0.00 C ATOM 199 O GLN A 17 9.951 4.418 1.630 1.00 0.00 O ATOM 200 CB GLN A 17 11.911 1.812 2.663 1.00 0.00 C ATOM 201 CG GLN A 17 13.022 2.184 1.694 1.00 0.00 C ATOM 202 CD GLN A 17 14.268 2.682 2.399 1.00 0.00 C ATOM 203 OE1 GLN A 17 14.236 3.010 3.585 1.00 0.00 O ATOM 204 NE2 GLN A 17 15.378 2.741 1.671 1.00 0.00 N ATOM 0 H GLN A 17 10.663 1.769 4.807 1.00 0.00 H new ATOM 0 HA GLN A 17 11.792 3.879 3.237 1.00 0.00 H new ATOM 0 HB2 GLN A 17 12.342 1.275 3.508 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.222 1.128 2.168 1.00 0.00 H new ATOM 0 HG2 GLN A 17 13.275 1.315 1.087 1.00 0.00 H new ATOM 0 HG3 GLN A 17 12.662 2.955 1.013 1.00 0.00 H new ATOM 0 HE21 GLN A 17 15.361 2.459 0.691 1.00 0.00 H new ATOM 0 HE22 GLN A 17 16.247 3.068 2.092 1.00 0.00 H new ATOM 213 N ALA A 18 9.042 2.414 2.102 1.00 0.00 N ATOM 214 CA ALA A 18 7.895 2.605 1.224 1.00 0.00 C ATOM 215 C ALA A 18 7.354 4.027 1.328 1.00 0.00 C ATOM 216 O ALA A 18 7.031 4.654 0.320 1.00 0.00 O ATOM 217 CB ALA A 18 6.802 1.598 1.556 1.00 0.00 C ATOM 0 H ALA A 18 9.053 1.520 2.592 1.00 0.00 H new ATOM 0 HA ALA A 18 8.224 2.443 0.198 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.951 1.752 0.892 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.187 0.587 1.424 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.485 1.733 2.590 1.00 0.00 H new ATOM 223 N GLU A 19 7.258 4.531 2.555 1.00 0.00 N ATOM 224 CA GLU A 19 6.755 5.879 2.790 1.00 0.00 C ATOM 225 C GLU A 19 7.524 6.899 1.956 1.00 0.00 C ATOM 226 O GLU A 19 6.933 7.780 1.329 1.00 0.00 O ATOM 227 CB GLU A 19 6.860 6.235 4.274 1.00 0.00 C ATOM 228 CG GLU A 19 5.618 5.877 5.075 1.00 0.00 C ATOM 229 CD GLU A 19 5.550 6.607 6.402 1.00 0.00 C ATOM 230 OE1 GLU A 19 5.717 7.845 6.409 1.00 0.00 O ATOM 231 OE2 GLU A 19 5.328 5.940 7.434 1.00 0.00 O ATOM 0 H GLU A 19 7.522 4.026 3.401 1.00 0.00 H new ATOM 0 HA GLU A 19 5.707 5.906 2.491 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.720 5.720 4.703 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.049 7.304 4.370 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.731 6.114 4.488 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.603 4.802 5.255 1.00 0.00 H new ATOM 238 N THR A 20 8.848 6.775 1.952 1.00 0.00 N ATOM 239 CA THR A 20 9.698 7.686 1.197 1.00 0.00 C ATOM 240 C THR A 20 9.487 7.520 -0.303 1.00 0.00 C ATOM 241 O THR A 20 9.097 8.463 -0.994 1.00 0.00 O ATOM 242 CB THR A 20 11.188 7.462 1.521 1.00 0.00 C ATOM 243 OG1 THR A 20 11.406 7.583 2.931 1.00 0.00 O ATOM 244 CG2 THR A 20 12.060 8.465 0.781 1.00 0.00 C ATOM 0 H THR A 20 9.354 6.052 2.464 1.00 0.00 H new ATOM 0 HA THR A 20 9.417 8.697 1.491 1.00 0.00 H new ATOM 0 HB THR A 20 11.460 6.458 1.196 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.355 7.438 3.129 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.107 8.287 1.026 1.00 0.00 H new ATOM 0 HG22 THR A 20 11.914 8.351 -0.293 1.00 0.00 H new ATOM 0 HG23 THR A 20 11.785 9.476 1.080 1.00 0.00 H new ATOM 252 N LEU A 21 9.745 6.317 -0.804 1.00 0.00 N ATOM 253 CA LEU A 21 9.582 6.027 -2.224 1.00 0.00 C ATOM 254 C LEU A 21 8.239 6.539 -2.733 1.00 0.00 C ATOM 255 O LEU A 21 8.128 7.001 -3.869 1.00 0.00 O ATOM 256 CB LEU A 21 9.695 4.523 -2.474 1.00 0.00 C ATOM 257 CG LEU A 21 11.025 3.876 -2.086 1.00 0.00 C ATOM 258 CD1 LEU A 21 10.985 3.396 -0.644 1.00 0.00 C ATOM 259 CD2 LEU A 21 11.351 2.723 -3.026 1.00 0.00 C ATOM 0 H LEU A 21 10.068 5.526 -0.247 1.00 0.00 H new ATOM 0 HA LEU A 21 10.375 6.540 -2.768 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.897 4.023 -1.925 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.519 4.337 -3.533 1.00 0.00 H new ATOM 0 HG LEU A 21 11.812 4.625 -2.175 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.940 2.938 -0.386 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.798 4.243 0.016 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.188 2.662 -0.527 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.301 2.274 -2.735 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.562 1.973 -2.969 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.424 3.096 -4.048 1.00 0.00 H new ATOM 271 N LEU A 22 7.219 6.458 -1.884 1.00 0.00 N ATOM 272 CA LEU A 22 5.883 6.915 -2.246 1.00 0.00 C ATOM 273 C LEU A 22 5.796 8.438 -2.194 1.00 0.00 C ATOM 274 O LEU A 22 5.497 9.085 -3.197 1.00 0.00 O ATOM 275 CB LEU A 22 4.841 6.301 -1.311 1.00 0.00 C ATOM 276 CG LEU A 22 4.432 4.859 -1.615 1.00 0.00 C ATOM 277 CD1 LEU A 22 3.680 4.257 -0.438 1.00 0.00 C ATOM 278 CD2 LEU A 22 3.587 4.800 -2.879 1.00 0.00 C ATOM 0 H LEU A 22 7.293 6.080 -0.940 1.00 0.00 H new ATOM 0 HA LEU A 22 5.680 6.592 -3.267 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.228 6.341 -0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.947 6.924 -1.337 1.00 0.00 H new ATOM 0 HG LEU A 22 5.336 4.272 -1.779 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.397 3.231 -0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.320 4.264 0.444 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.783 4.844 -0.241 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.305 3.767 -3.080 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.688 5.402 -2.744 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.162 5.189 -3.719 1.00 0.00 H new ATOM 290 N GLN A 23 6.061 9.000 -1.019 1.00 0.00 N ATOM 291 CA GLN A 23 6.013 10.446 -0.837 1.00 0.00 C ATOM 292 C GLN A 23 6.820 11.158 -1.918 1.00 0.00 C ATOM 293 O GLN A 23 6.308 12.036 -2.611 1.00 0.00 O ATOM 294 CB GLN A 23 6.544 10.825 0.546 1.00 0.00 C ATOM 295 CG GLN A 23 5.577 10.513 1.676 1.00 0.00 C ATOM 296 CD GLN A 23 6.161 10.811 3.043 1.00 0.00 C ATOM 297 OE1 GLN A 23 7.377 10.908 3.203 1.00 0.00 O ATOM 298 NE2 GLN A 23 5.293 10.958 4.038 1.00 0.00 N ATOM 0 H GLN A 23 6.311 8.477 -0.180 1.00 0.00 H new ATOM 0 HA GLN A 23 4.973 10.763 -0.918 1.00 0.00 H new ATOM 0 HB2 GLN A 23 7.480 10.296 0.724 1.00 0.00 H new ATOM 0 HB3 GLN A 23 6.773 11.891 0.559 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.665 11.095 1.540 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.294 9.461 1.627 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.293 10.869 3.859 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.627 11.160 4.980 1.00 0.00 H new ATOM 307 N ALA A 24 8.084 10.772 -2.055 1.00 0.00 N ATOM 308 CA ALA A 24 8.962 11.372 -3.053 1.00 0.00 C ATOM 309 C ALA A 24 8.265 11.477 -4.405 1.00 0.00 C ATOM 310 O ALA A 24 8.374 12.492 -5.094 1.00 0.00 O ATOM 311 CB ALA A 24 10.246 10.564 -3.181 1.00 0.00 C ATOM 0 H ALA A 24 8.523 10.047 -1.488 1.00 0.00 H new ATOM 0 HA ALA A 24 9.211 12.380 -2.722 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.892 11.023 -3.929 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.761 10.544 -2.220 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.006 9.545 -3.485 1.00 0.00 H new ATOM 317 N LYS A 25 7.547 10.425 -4.780 1.00 0.00 N ATOM 318 CA LYS A 25 6.831 10.398 -6.050 1.00 0.00 C ATOM 319 C LYS A 25 5.810 11.529 -6.122 1.00 0.00 C ATOM 320 O LYS A 25 5.552 12.079 -7.192 1.00 0.00 O ATOM 321 CB LYS A 25 6.129 9.051 -6.235 1.00 0.00 C ATOM 322 CG LYS A 25 5.456 8.897 -7.588 1.00 0.00 C ATOM 323 CD LYS A 25 6.418 8.347 -8.629 1.00 0.00 C ATOM 324 CE LYS A 25 5.761 8.249 -9.997 1.00 0.00 C ATOM 325 NZ LYS A 25 5.094 6.933 -10.199 1.00 0.00 N ATOM 0 H LYS A 25 7.445 9.578 -4.221 1.00 0.00 H new ATOM 0 HA LYS A 25 7.557 10.535 -6.851 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.858 8.250 -6.108 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.382 8.929 -5.451 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.598 8.231 -7.495 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.075 9.863 -7.918 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.296 8.990 -8.691 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.766 7.361 -8.320 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.028 9.048 -10.106 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.513 8.398 -10.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.395 6.527 -11.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.358 6.288 -9.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.062 7.064 -10.203 1.00 0.00 H new ATOM 339 N GLY A 26 5.233 11.875 -4.974 1.00 0.00 N ATOM 340 CA GLY A 26 4.249 12.940 -4.930 1.00 0.00 C ATOM 341 C GLY A 26 3.039 12.647 -5.795 1.00 0.00 C ATOM 342 O GLY A 26 2.351 13.564 -6.241 1.00 0.00 O ATOM 0 H GLY A 26 5.430 11.436 -4.075 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.927 13.091 -3.900 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.711 13.871 -5.259 1.00 0.00 H new ATOM 346 N GLU A 27 2.779 11.365 -6.032 1.00 0.00 N ATOM 347 CA GLU A 27 1.644 10.955 -6.852 1.00 0.00 C ATOM 348 C GLU A 27 0.509 10.425 -5.981 1.00 0.00 C ATOM 349 O GLU A 27 0.655 9.440 -5.258 1.00 0.00 O ATOM 350 CB GLU A 27 2.074 9.885 -7.858 1.00 0.00 C ATOM 351 CG GLU A 27 2.586 10.453 -9.170 1.00 0.00 C ATOM 352 CD GLU A 27 2.518 9.452 -10.306 1.00 0.00 C ATOM 353 OE1 GLU A 27 2.571 8.235 -10.027 1.00 0.00 O ATOM 354 OE2 GLU A 27 2.411 9.883 -11.473 1.00 0.00 O ATOM 0 H GLU A 27 3.338 10.593 -5.668 1.00 0.00 H new ATOM 0 HA GLU A 27 1.284 11.829 -7.395 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.854 9.269 -7.410 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.228 9.229 -8.062 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.001 11.335 -9.432 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.617 10.781 -9.041 1.00 0.00 H new ATOM 361 N PRO A 28 -0.652 11.094 -6.051 1.00 0.00 N ATOM 362 CA PRO A 28 -1.835 10.709 -5.278 1.00 0.00 C ATOM 363 C PRO A 28 -2.448 9.401 -5.767 1.00 0.00 C ATOM 364 O PRO A 28 -2.495 9.138 -6.968 1.00 0.00 O ATOM 365 CB PRO A 28 -2.804 11.872 -5.510 1.00 0.00 C ATOM 366 CG PRO A 28 -2.389 12.456 -6.815 1.00 0.00 C ATOM 367 CD PRO A 28 -0.897 12.277 -6.893 1.00 0.00 C ATOM 0 HA PRO A 28 -1.597 10.536 -4.228 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.837 11.526 -5.542 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.739 12.608 -4.708 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -2.886 11.952 -7.644 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.659 13.510 -6.874 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.564 12.116 -7.919 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.367 13.153 -6.519 1.00 0.00 H new ATOM 375 N TRP A 29 -2.914 8.585 -4.829 1.00 0.00 N ATOM 376 CA TRP A 29 -3.524 7.303 -5.165 1.00 0.00 C ATOM 377 C TRP A 29 -2.485 6.335 -5.722 1.00 0.00 C ATOM 378 O TRP A 29 -2.791 5.505 -6.579 1.00 0.00 O ATOM 379 CB TRP A 29 -4.650 7.502 -6.179 1.00 0.00 C ATOM 380 CG TRP A 29 -5.515 8.690 -5.883 1.00 0.00 C ATOM 381 CD1 TRP A 29 -5.921 9.648 -6.767 1.00 0.00 C ATOM 382 CD2 TRP A 29 -6.075 9.047 -4.615 1.00 0.00 C ATOM 383 NE1 TRP A 29 -6.701 10.580 -6.125 1.00 0.00 N ATOM 384 CE2 TRP A 29 -6.812 10.233 -4.804 1.00 0.00 C ATOM 385 CE3 TRP A 29 -6.029 8.479 -3.339 1.00 0.00 C ATOM 386 CZ2 TRP A 29 -7.493 10.859 -3.765 1.00 0.00 C ATOM 387 CZ3 TRP A 29 -6.706 9.102 -2.308 1.00 0.00 C ATOM 388 CH2 TRP A 29 -7.431 10.282 -2.526 1.00 0.00 C ATOM 0 H TRP A 29 -2.881 8.788 -3.830 1.00 0.00 H new ATOM 0 HA TRP A 29 -3.938 6.875 -4.252 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.218 7.615 -7.173 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.271 6.606 -6.202 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.667 9.670 -7.816 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -7.128 11.397 -6.561 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -5.474 7.569 -3.162 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.051 11.769 -3.931 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -6.676 8.673 -1.317 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.951 10.744 -1.700 1.00 0.00 H new ATOM 399 N THR A 30 -1.255 6.447 -5.232 1.00 0.00 N ATOM 400 CA THR A 30 -0.171 5.584 -5.682 1.00 0.00 C ATOM 401 C THR A 30 -0.015 4.375 -4.768 1.00 0.00 C ATOM 402 O THR A 30 0.529 4.481 -3.668 1.00 0.00 O ATOM 403 CB THR A 30 1.167 6.345 -5.740 1.00 0.00 C ATOM 404 OG1 THR A 30 1.074 7.429 -6.670 1.00 0.00 O ATOM 405 CG2 THR A 30 2.301 5.416 -6.149 1.00 0.00 C ATOM 0 H THR A 30 -0.985 7.128 -4.522 1.00 0.00 H new ATOM 0 HA THR A 30 -0.432 5.247 -6.685 1.00 0.00 H new ATOM 0 HB THR A 30 1.380 6.737 -4.745 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.388 8.061 -6.369 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.236 5.976 -6.183 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.389 4.607 -5.423 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.092 4.999 -7.134 1.00 0.00 H new ATOM 413 N PHE A 31 -0.495 3.224 -5.227 1.00 0.00 N ATOM 414 CA PHE A 31 -0.409 1.994 -4.449 1.00 0.00 C ATOM 415 C PHE A 31 0.844 1.205 -4.817 1.00 0.00 C ATOM 416 O PHE A 31 1.440 1.419 -5.874 1.00 0.00 O ATOM 417 CB PHE A 31 -1.653 1.133 -4.678 1.00 0.00 C ATOM 418 CG PHE A 31 -1.672 0.451 -6.017 1.00 0.00 C ATOM 419 CD1 PHE A 31 -2.003 1.157 -7.163 1.00 0.00 C ATOM 420 CD2 PHE A 31 -1.362 -0.894 -6.129 1.00 0.00 C ATOM 421 CE1 PHE A 31 -2.022 0.533 -8.397 1.00 0.00 C ATOM 422 CE2 PHE A 31 -1.378 -1.523 -7.360 1.00 0.00 C ATOM 423 CZ PHE A 31 -1.710 -0.809 -8.494 1.00 0.00 C ATOM 0 H PHE A 31 -0.948 3.118 -6.135 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.351 2.263 -3.394 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.712 0.378 -3.894 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.540 1.759 -4.585 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.249 2.206 -7.091 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.105 -1.458 -5.245 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.280 1.094 -9.283 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -1.131 -2.572 -7.434 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.726 -1.299 -9.456 1.00 0.00 H new ATOM 433 N LEU A 32 1.239 0.291 -3.937 1.00 0.00 N ATOM 434 CA LEU A 32 2.422 -0.531 -4.167 1.00 0.00 C ATOM 435 C LEU A 32 2.468 -1.704 -3.192 1.00 0.00 C ATOM 436 O LEU A 32 2.145 -1.557 -2.014 1.00 0.00 O ATOM 437 CB LEU A 32 3.689 0.313 -4.028 1.00 0.00 C ATOM 438 CG LEU A 32 4.237 0.473 -2.609 1.00 0.00 C ATOM 439 CD1 LEU A 32 5.079 -0.734 -2.224 1.00 0.00 C ATOM 440 CD2 LEU A 32 5.052 1.753 -2.493 1.00 0.00 C ATOM 0 H LEU A 32 0.758 0.101 -3.058 1.00 0.00 H new ATOM 0 HA LEU A 32 2.367 -0.927 -5.181 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.467 -0.131 -4.649 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.487 1.305 -4.432 1.00 0.00 H new ATOM 0 HG LEU A 32 3.395 0.539 -1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.461 -0.603 -1.211 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.466 -1.634 -2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.915 -0.831 -2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.434 1.850 -1.477 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.887 1.717 -3.193 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.419 2.609 -2.726 1.00 0.00 H new ATOM 452 N VAL A 33 2.876 -2.866 -3.691 1.00 0.00 N ATOM 453 CA VAL A 33 2.968 -4.063 -2.864 1.00 0.00 C ATOM 454 C VAL A 33 4.410 -4.333 -2.447 1.00 0.00 C ATOM 455 O VAL A 33 5.350 -3.949 -3.143 1.00 0.00 O ATOM 456 CB VAL A 33 2.419 -5.299 -3.601 1.00 0.00 C ATOM 457 CG1 VAL A 33 2.272 -6.471 -2.643 1.00 0.00 C ATOM 458 CG2 VAL A 33 1.091 -4.974 -4.268 1.00 0.00 C ATOM 0 H VAL A 33 3.148 -3.004 -4.664 1.00 0.00 H new ATOM 0 HA VAL A 33 2.363 -3.881 -1.976 1.00 0.00 H new ATOM 0 HB VAL A 33 3.129 -5.583 -4.377 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.883 -7.335 -3.182 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.245 -6.717 -2.217 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.583 -6.202 -1.842 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.717 -5.858 -4.784 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.370 -4.664 -3.512 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.233 -4.167 -4.987 1.00 0.00 H new ATOM 468 N ARG A 34 4.576 -4.994 -1.306 1.00 0.00 N ATOM 469 CA ARG A 34 5.903 -5.314 -0.795 1.00 0.00 C ATOM 470 C ARG A 34 5.823 -6.380 0.294 1.00 0.00 C ATOM 471 O ARG A 34 5.207 -6.168 1.338 1.00 0.00 O ATOM 472 CB ARG A 34 6.579 -4.057 -0.246 1.00 0.00 C ATOM 473 CG ARG A 34 5.751 -3.328 0.801 1.00 0.00 C ATOM 474 CD ARG A 34 6.419 -2.034 1.239 1.00 0.00 C ATOM 475 NE ARG A 34 5.831 -1.503 2.465 1.00 0.00 N ATOM 476 CZ ARG A 34 5.967 -2.075 3.656 1.00 0.00 C ATOM 477 NH1 ARG A 34 6.670 -3.193 3.780 1.00 0.00 N ATOM 478 NH2 ARG A 34 5.401 -1.530 4.725 1.00 0.00 N ATOM 0 H ARG A 34 3.808 -5.318 -0.718 1.00 0.00 H new ATOM 0 HA ARG A 34 6.498 -5.706 -1.620 1.00 0.00 H new ATOM 0 HB2 ARG A 34 7.540 -4.332 0.190 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.787 -3.376 -1.072 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.762 -3.110 0.397 1.00 0.00 H new ATOM 0 HG3 ARG A 34 5.606 -3.975 1.666 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.483 -2.210 1.394 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.331 -1.293 0.444 1.00 0.00 H new ATOM 0 HE ARG A 34 5.285 -0.644 2.404 1.00 0.00 H new ATOM 0 HH11 ARG A 34 7.107 -3.614 2.960 1.00 0.00 H new ATOM 0 HH12 ARG A 34 6.774 -3.631 4.695 1.00 0.00 H new ATOM 0 HH21 ARG A 34 4.860 -0.670 4.633 1.00 0.00 H new ATOM 0 HH22 ARG A 34 5.507 -1.971 5.639 1.00 0.00 H new ATOM 492 N GLU A 35 6.451 -7.524 0.043 1.00 0.00 N ATOM 493 CA GLU A 35 6.450 -8.623 1.002 1.00 0.00 C ATOM 494 C GLU A 35 6.598 -8.099 2.428 1.00 0.00 C ATOM 495 O GLU A 35 7.183 -7.040 2.655 1.00 0.00 O ATOM 496 CB GLU A 35 7.581 -9.604 0.688 1.00 0.00 C ATOM 497 CG GLU A 35 7.252 -11.045 1.042 1.00 0.00 C ATOM 498 CD GLU A 35 8.476 -11.838 1.458 1.00 0.00 C ATOM 499 OE1 GLU A 35 9.426 -11.226 1.990 1.00 0.00 O ATOM 500 OE2 GLU A 35 8.483 -13.069 1.252 1.00 0.00 O ATOM 0 H GLU A 35 6.967 -7.714 -0.816 1.00 0.00 H new ATOM 0 HA GLU A 35 5.495 -9.143 0.920 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.818 -9.545 -0.374 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.476 -9.300 1.232 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.522 -11.059 1.852 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.785 -11.528 0.184 1.00 0.00 H new ATOM 507 N SER A 36 6.061 -8.849 3.386 1.00 0.00 N ATOM 508 CA SER A 36 6.128 -8.460 4.789 1.00 0.00 C ATOM 509 C SER A 36 7.530 -8.686 5.349 1.00 0.00 C ATOM 510 O SER A 36 8.325 -9.436 4.781 1.00 0.00 O ATOM 511 CB SER A 36 5.106 -9.251 5.609 1.00 0.00 C ATOM 512 OG SER A 36 4.843 -8.613 6.847 1.00 0.00 O ATOM 0 H SER A 36 5.575 -9.729 3.215 1.00 0.00 H new ATOM 0 HA SER A 36 5.895 -7.397 4.857 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.180 -9.350 5.043 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.480 -10.259 5.788 1.00 0.00 H new ATOM 0 HG SER A 36 4.186 -9.136 7.352 1.00 0.00 H new ATOM 586 N ASP A 42 2.707 -13.362 5.020 1.00 0.00 N ATOM 587 CA ASP A 42 1.770 -12.250 4.901 1.00 0.00 C ATOM 588 C ASP A 42 2.309 -11.185 3.952 1.00 0.00 C ATOM 589 O ASP A 42 3.452 -11.262 3.500 1.00 0.00 O ATOM 590 CB ASP A 42 1.498 -11.636 6.276 1.00 0.00 C ATOM 591 CG ASP A 42 0.683 -12.553 7.168 1.00 0.00 C ATOM 592 OD1 ASP A 42 1.198 -13.627 7.542 1.00 0.00 O ATOM 593 OD2 ASP A 42 -0.468 -12.195 7.493 1.00 0.00 O ATOM 0 HA ASP A 42 0.836 -12.635 4.492 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.446 -11.408 6.763 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.969 -10.691 6.151 1.00 0.00 H new ATOM 598 N PHE A 43 1.479 -10.191 3.654 1.00 0.00 N ATOM 599 CA PHE A 43 1.871 -9.111 2.757 1.00 0.00 C ATOM 600 C PHE A 43 1.430 -7.757 3.308 1.00 0.00 C ATOM 601 O PHE A 43 0.707 -7.686 4.302 1.00 0.00 O ATOM 602 CB PHE A 43 1.270 -9.328 1.368 1.00 0.00 C ATOM 603 CG PHE A 43 1.750 -10.583 0.696 1.00 0.00 C ATOM 604 CD1 PHE A 43 1.215 -11.815 1.036 1.00 0.00 C ATOM 605 CD2 PHE A 43 2.737 -10.530 -0.275 1.00 0.00 C ATOM 606 CE1 PHE A 43 1.655 -12.971 0.419 1.00 0.00 C ATOM 607 CE2 PHE A 43 3.181 -11.682 -0.896 1.00 0.00 C ATOM 608 CZ PHE A 43 2.640 -12.905 -0.548 1.00 0.00 C ATOM 0 H PHE A 43 0.531 -10.111 4.021 1.00 0.00 H new ATOM 0 HA PHE A 43 2.958 -9.115 2.680 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.184 -9.363 1.452 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.513 -8.472 0.738 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.446 -11.873 1.792 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.164 -9.577 -0.550 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.229 -13.925 0.692 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.950 -11.626 -1.652 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.986 -13.807 -1.031 1.00 0.00 H new ATOM 618 N VAL A 44 1.873 -6.687 2.657 1.00 0.00 N ATOM 619 CA VAL A 44 1.524 -5.336 3.081 1.00 0.00 C ATOM 620 C VAL A 44 1.218 -4.446 1.881 1.00 0.00 C ATOM 621 O VAL A 44 1.927 -4.477 0.874 1.00 0.00 O ATOM 622 CB VAL A 44 2.656 -4.696 3.906 1.00 0.00 C ATOM 623 CG1 VAL A 44 2.399 -3.210 4.103 1.00 0.00 C ATOM 624 CG2 VAL A 44 2.803 -5.403 5.245 1.00 0.00 C ATOM 0 H VAL A 44 2.474 -6.729 1.834 1.00 0.00 H new ATOM 0 HA VAL A 44 0.634 -5.420 3.704 1.00 0.00 H new ATOM 0 HB VAL A 44 3.591 -4.808 3.357 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.209 -2.775 4.688 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.348 -2.718 3.132 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.455 -3.071 4.630 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.607 -4.938 5.815 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.870 -5.324 5.803 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.037 -6.454 5.078 1.00 0.00 H new ATOM 634 N LEU A 45 0.159 -3.651 1.997 1.00 0.00 N ATOM 635 CA LEU A 45 -0.241 -2.750 0.921 1.00 0.00 C ATOM 636 C LEU A 45 -0.119 -1.293 1.358 1.00 0.00 C ATOM 637 O LEU A 45 -0.713 -0.882 2.354 1.00 0.00 O ATOM 638 CB LEU A 45 -1.678 -3.046 0.489 1.00 0.00 C ATOM 639 CG LEU A 45 -2.307 -2.047 -0.482 1.00 0.00 C ATOM 640 CD1 LEU A 45 -1.802 -2.285 -1.896 1.00 0.00 C ATOM 641 CD2 LEU A 45 -3.825 -2.137 -0.434 1.00 0.00 C ATOM 0 H LEU A 45 -0.437 -3.612 2.824 1.00 0.00 H new ATOM 0 HA LEU A 45 0.427 -2.914 0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.701 -4.034 0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.301 -3.096 1.382 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.013 -1.042 -0.178 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.261 -1.564 -2.572 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.719 -2.166 -1.920 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.064 -3.295 -2.211 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.254 -1.418 -1.132 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.139 -3.144 -0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.171 -1.914 0.575 1.00 0.00 H new ATOM 653 N SER A 46 0.653 -0.518 0.604 1.00 0.00 N ATOM 654 CA SER A 46 0.854 0.893 0.914 1.00 0.00 C ATOM 655 C SER A 46 0.323 1.777 -0.210 1.00 0.00 C ATOM 656 O SER A 46 0.445 1.444 -1.389 1.00 0.00 O ATOM 657 CB SER A 46 2.339 1.179 1.145 1.00 0.00 C ATOM 658 OG SER A 46 2.915 0.221 2.015 1.00 0.00 O ATOM 0 H SER A 46 1.150 -0.843 -0.226 1.00 0.00 H new ATOM 0 HA SER A 46 0.301 1.122 1.825 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.866 1.172 0.191 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.459 2.177 1.568 1.00 0.00 H new ATOM 0 HG SER A 46 3.648 0.634 2.517 1.00 0.00 H new ATOM 664 N VAL A 47 -0.269 2.908 0.165 1.00 0.00 N ATOM 665 CA VAL A 47 -0.819 3.842 -0.810 1.00 0.00 C ATOM 666 C VAL A 47 -0.590 5.286 -0.378 1.00 0.00 C ATOM 667 O VAL A 47 -0.656 5.607 0.810 1.00 0.00 O ATOM 668 CB VAL A 47 -2.327 3.613 -1.018 1.00 0.00 C ATOM 669 CG1 VAL A 47 -2.907 4.675 -1.939 1.00 0.00 C ATOM 670 CG2 VAL A 47 -2.583 2.218 -1.570 1.00 0.00 C ATOM 0 H VAL A 47 -0.379 3.199 1.136 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.299 3.660 -1.750 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.825 3.694 -0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.974 4.496 -2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.757 5.660 -1.498 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.406 4.631 -2.906 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.654 2.073 -1.711 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.073 2.106 -2.527 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.206 1.474 -0.868 1.00 0.00 H new ATOM 680 N LEU A 48 -0.321 6.152 -1.347 1.00 0.00 N ATOM 681 CA LEU A 48 -0.083 7.564 -1.067 1.00 0.00 C ATOM 682 C LEU A 48 -1.351 8.384 -1.285 1.00 0.00 C ATOM 683 O LEU A 48 -1.656 8.788 -2.407 1.00 0.00 O ATOM 684 CB LEU A 48 1.042 8.098 -1.957 1.00 0.00 C ATOM 685 CG LEU A 48 1.607 9.467 -1.575 1.00 0.00 C ATOM 686 CD1 LEU A 48 2.298 9.400 -0.222 1.00 0.00 C ATOM 687 CD2 LEU A 48 2.568 9.963 -2.645 1.00 0.00 C ATOM 0 H LEU A 48 -0.262 5.902 -2.334 1.00 0.00 H new ATOM 0 HA LEU A 48 0.213 7.657 -0.022 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.858 7.375 -1.950 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.673 8.152 -2.981 1.00 0.00 H new ATOM 0 HG LEU A 48 0.781 10.174 -1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.694 10.383 0.033 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.581 9.089 0.538 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.115 8.680 -0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.961 10.938 -2.357 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.392 9.257 -2.750 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.041 10.050 -3.595 1.00 0.00 H new ATOM 699 N SER A 49 -2.084 8.628 -0.204 1.00 0.00 N ATOM 700 CA SER A 49 -3.320 9.398 -0.276 1.00 0.00 C ATOM 701 C SER A 49 -3.064 10.781 -0.866 1.00 0.00 C ATOM 702 O SER A 49 -1.991 11.357 -0.684 1.00 0.00 O ATOM 703 CB SER A 49 -3.945 9.531 1.114 1.00 0.00 C ATOM 704 OG SER A 49 -2.971 9.895 2.078 1.00 0.00 O ATOM 0 H SER A 49 -1.843 8.304 0.733 1.00 0.00 H new ATOM 0 HA SER A 49 -4.013 8.866 -0.928 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.736 10.281 1.090 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.409 8.587 1.400 1.00 0.00 H new ATOM 0 HG SER A 49 -2.690 9.099 2.576 1.00 0.00 H new ATOM 710 N ASP A 50 -4.057 11.309 -1.575 1.00 0.00 N ATOM 711 CA ASP A 50 -3.941 12.625 -2.191 1.00 0.00 C ATOM 712 C ASP A 50 -3.968 13.724 -1.134 1.00 0.00 C ATOM 713 O ASP A 50 -3.791 14.902 -1.446 1.00 0.00 O ATOM 714 CB ASP A 50 -5.071 12.840 -3.200 1.00 0.00 C ATOM 715 CG ASP A 50 -6.294 13.478 -2.570 1.00 0.00 C ATOM 716 OD1 ASP A 50 -6.543 13.230 -1.372 1.00 0.00 O ATOM 717 OD2 ASP A 50 -7.002 14.226 -3.276 1.00 0.00 O ATOM 0 H ASP A 50 -4.951 10.845 -1.737 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.985 12.673 -2.713 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.713 13.471 -4.013 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.350 11.882 -3.639 1.00 0.00 H new ATOM 722 N GLN A 51 -4.194 13.332 0.115 1.00 0.00 N ATOM 723 CA GLN A 51 -4.247 14.286 1.217 1.00 0.00 C ATOM 724 C GLN A 51 -2.848 14.591 1.740 1.00 0.00 C ATOM 725 O GLN A 51 -2.167 13.733 2.301 1.00 0.00 O ATOM 726 CB GLN A 51 -5.119 13.741 2.349 1.00 0.00 C ATOM 727 CG GLN A 51 -6.543 13.423 1.922 1.00 0.00 C ATOM 728 CD GLN A 51 -7.167 12.315 2.746 1.00 0.00 C ATOM 729 OE1 GLN A 51 -6.976 12.247 3.961 1.00 0.00 O ATOM 730 NE2 GLN A 51 -7.919 11.440 2.089 1.00 0.00 N ATOM 0 H GLN A 51 -4.343 12.361 0.390 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.685 15.211 0.843 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.658 12.838 2.748 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.146 14.470 3.159 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -7.153 14.322 2.008 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -6.547 13.135 0.871 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -8.050 11.535 1.082 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -8.366 10.673 2.591 1.00 0.00 H new ATOM 739 N PRO A 52 -2.406 15.844 1.552 1.00 0.00 N ATOM 740 CA PRO A 52 -1.083 16.292 1.998 1.00 0.00 C ATOM 741 C PRO A 52 -0.982 16.380 3.516 1.00 0.00 C ATOM 742 O PRO A 52 -1.965 16.672 4.198 1.00 0.00 O ATOM 743 CB PRO A 52 -0.949 17.682 1.372 1.00 0.00 C ATOM 744 CG PRO A 52 -2.352 18.150 1.186 1.00 0.00 C ATOM 745 CD PRO A 52 -3.163 16.919 0.891 1.00 0.00 C ATOM 0 HA PRO A 52 -0.297 15.598 1.701 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.389 18.356 2.020 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.417 17.639 0.422 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.718 18.653 2.081 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.419 18.867 0.368 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.175 17.000 1.288 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.254 16.745 -0.181 1.00 0.00 H new ATOM 753 N LYS A 53 0.212 16.126 4.041 1.00 0.00 N ATOM 754 CA LYS A 53 0.443 16.177 5.480 1.00 0.00 C ATOM 755 C LYS A 53 0.038 17.535 6.047 1.00 0.00 C ATOM 756 O LYS A 53 -0.644 17.613 7.068 1.00 0.00 O ATOM 757 CB LYS A 53 1.915 15.900 5.792 1.00 0.00 C ATOM 758 CG LYS A 53 2.254 14.421 5.861 1.00 0.00 C ATOM 759 CD LYS A 53 3.583 14.186 6.559 1.00 0.00 C ATOM 760 CE LYS A 53 3.406 14.054 8.064 1.00 0.00 C ATOM 761 NZ LYS A 53 4.680 14.290 8.796 1.00 0.00 N ATOM 0 H LYS A 53 1.036 15.882 3.491 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.171 15.408 5.949 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.534 16.371 5.029 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.170 16.368 6.743 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.464 13.890 6.392 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.293 14.008 4.853 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.047 13.282 6.165 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.260 15.012 6.342 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.654 14.766 8.405 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.031 13.058 8.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.517 14.191 9.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.390 13.595 8.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.025 15.250 8.592 1.00 0.00 H new ATOM 775 N ALA A 54 0.464 18.601 5.377 1.00 0.00 N ATOM 776 CA ALA A 54 0.143 19.955 5.813 1.00 0.00 C ATOM 777 C ALA A 54 -0.641 20.705 4.742 1.00 0.00 C ATOM 778 O ALA A 54 -1.809 21.039 4.934 1.00 0.00 O ATOM 779 CB ALA A 54 1.415 20.711 6.165 1.00 0.00 C ATOM 0 H ALA A 54 1.032 18.553 4.531 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.483 19.885 6.702 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.161 21.720 6.489 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.936 20.192 6.970 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.061 20.763 5.289 1.00 0.00 H new ATOM 785 N GLY A 55 0.010 20.967 3.613 1.00 0.00 N ATOM 786 CA GLY A 55 -0.642 21.677 2.528 1.00 0.00 C ATOM 787 C GLY A 55 0.034 21.442 1.192 1.00 0.00 C ATOM 788 O GLY A 55 0.607 20.382 0.940 1.00 0.00 O ATOM 0 H GLY A 55 0.977 20.700 3.430 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.683 21.361 2.465 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.645 22.745 2.747 1.00 0.00 H new ATOM 792 N PRO A 56 -0.031 22.447 0.306 1.00 0.00 N ATOM 793 CA PRO A 56 0.573 22.368 -1.027 1.00 0.00 C ATOM 794 C PRO A 56 2.097 22.381 -0.974 1.00 0.00 C ATOM 795 O PRO A 56 2.722 23.434 -1.095 1.00 0.00 O ATOM 796 CB PRO A 56 0.051 23.624 -1.728 1.00 0.00 C ATOM 797 CG PRO A 56 -0.246 24.579 -0.625 1.00 0.00 C ATOM 798 CD PRO A 56 -0.699 23.739 0.538 1.00 0.00 C ATOM 0 HA PRO A 56 0.315 21.440 -1.538 1.00 0.00 H new ATOM 0 HB2 PRO A 56 0.793 24.031 -2.415 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.842 23.407 -2.315 1.00 0.00 H new ATOM 0 HG2 PRO A 56 0.637 25.162 -0.365 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.020 25.288 -0.920 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -0.404 24.179 1.491 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.784 23.633 0.559 1.00 0.00 H new ATOM 806 N GLY A 57 2.689 21.205 -0.795 1.00 0.00 N ATOM 807 CA GLY A 57 4.136 21.105 -0.730 1.00 0.00 C ATOM 808 C GLY A 57 4.599 19.947 0.133 1.00 0.00 C ATOM 809 O GLY A 57 5.650 19.358 -0.119 1.00 0.00 O ATOM 0 H GLY A 57 2.193 20.319 -0.694 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.534 20.985 -1.737 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.544 22.035 -0.334 1.00 0.00 H new ATOM 813 N SER A 58 3.814 19.622 1.154 1.00 0.00 N ATOM 814 CA SER A 58 4.152 18.531 2.061 1.00 0.00 C ATOM 815 C SER A 58 3.994 17.181 1.370 1.00 0.00 C ATOM 816 O SER A 58 3.226 17.027 0.419 1.00 0.00 O ATOM 817 CB SER A 58 3.268 18.584 3.309 1.00 0.00 C ATOM 818 OG SER A 58 2.052 17.887 3.103 1.00 0.00 O ATOM 0 H SER A 58 2.939 20.098 1.374 1.00 0.00 H new ATOM 0 HA SER A 58 5.194 18.648 2.357 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.801 18.149 4.155 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.057 19.622 3.565 1.00 0.00 H new ATOM 0 HG SER A 58 1.714 18.078 2.203 1.00 0.00 H new ATOM 824 N PRO A 59 4.737 16.176 1.856 1.00 0.00 N ATOM 825 CA PRO A 59 4.698 14.821 1.301 1.00 0.00 C ATOM 826 C PRO A 59 3.378 14.114 1.591 1.00 0.00 C ATOM 827 O PRO A 59 3.044 13.850 2.747 1.00 0.00 O ATOM 828 CB PRO A 59 5.853 14.112 2.013 1.00 0.00 C ATOM 829 CG PRO A 59 6.023 14.857 3.291 1.00 0.00 C ATOM 830 CD PRO A 59 5.675 16.288 2.987 1.00 0.00 C ATOM 0 HA PRO A 59 4.787 14.823 0.215 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.622 13.062 2.194 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.764 14.139 1.415 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.372 14.454 4.067 1.00 0.00 H new ATOM 0 HG3 PRO A 59 7.046 14.774 3.658 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.215 16.781 3.844 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.558 16.869 2.721 1.00 0.00 H new ATOM 838 N LEU A 60 2.632 13.809 0.535 1.00 0.00 N ATOM 839 CA LEU A 60 1.348 13.131 0.677 1.00 0.00 C ATOM 840 C LEU A 60 1.405 12.080 1.780 1.00 0.00 C ATOM 841 O LEU A 60 2.444 11.460 2.007 1.00 0.00 O ATOM 842 CB LEU A 60 0.945 12.477 -0.646 1.00 0.00 C ATOM 843 CG LEU A 60 0.422 13.420 -1.731 1.00 0.00 C ATOM 844 CD1 LEU A 60 -0.089 12.630 -2.925 1.00 0.00 C ATOM 845 CD2 LEU A 60 -0.674 14.317 -1.173 1.00 0.00 C ATOM 0 H LEU A 60 2.894 14.020 -0.428 1.00 0.00 H new ATOM 0 HA LEU A 60 0.601 13.876 0.950 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.809 11.944 -1.042 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.177 11.731 -0.440 1.00 0.00 H new ATOM 0 HG LEU A 60 1.246 14.051 -2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.457 13.318 -3.686 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.722 12.031 -3.339 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.899 11.974 -2.607 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.035 14.982 -1.958 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.498 13.702 -0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.275 14.910 -0.350 1.00 0.00 H new ATOM 857 N ARG A 61 0.281 11.883 2.462 1.00 0.00 N ATOM 858 CA ARG A 61 0.204 10.906 3.542 1.00 0.00 C ATOM 859 C ARG A 61 0.240 9.484 2.991 1.00 0.00 C ATOM 860 O ARG A 61 -0.190 9.232 1.865 1.00 0.00 O ATOM 861 CB ARG A 61 -1.073 11.116 4.357 1.00 0.00 C ATOM 862 CG ARG A 61 -0.929 10.738 5.822 1.00 0.00 C ATOM 863 CD ARG A 61 -0.194 11.815 6.606 1.00 0.00 C ATOM 864 NE ARG A 61 0.068 11.407 7.983 1.00 0.00 N ATOM 865 CZ ARG A 61 -0.871 11.340 8.921 1.00 0.00 C ATOM 866 NH1 ARG A 61 -2.127 11.654 8.631 1.00 0.00 N ATOM 867 NH2 ARG A 61 -0.556 10.960 10.152 1.00 0.00 N ATOM 0 H ARG A 61 -0.588 12.387 2.286 1.00 0.00 H new ATOM 0 HA ARG A 61 1.069 11.048 4.190 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.370 12.162 4.288 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.877 10.527 3.916 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.916 10.580 6.257 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.389 9.794 5.904 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.749 12.044 6.110 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.785 12.731 6.606 1.00 0.00 H new ATOM 0 HE ARG A 61 1.024 11.160 8.239 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.374 11.948 7.686 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.846 11.602 9.353 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.408 10.719 10.380 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.278 10.909 10.871 1.00 0.00 H new ATOM 881 N VAL A 62 0.757 8.558 3.792 1.00 0.00 N ATOM 882 CA VAL A 62 0.849 7.160 3.385 1.00 0.00 C ATOM 883 C VAL A 62 -0.097 6.287 4.202 1.00 0.00 C ATOM 884 O VAL A 62 -0.321 6.534 5.387 1.00 0.00 O ATOM 885 CB VAL A 62 2.285 6.625 3.537 1.00 0.00 C ATOM 886 CG1 VAL A 62 2.377 5.191 3.038 1.00 0.00 C ATOM 887 CG2 VAL A 62 3.268 7.519 2.797 1.00 0.00 C ATOM 0 H VAL A 62 1.119 8.750 4.726 1.00 0.00 H new ATOM 0 HA VAL A 62 0.563 7.116 2.334 1.00 0.00 H new ATOM 0 HB VAL A 62 2.546 6.634 4.595 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.399 4.830 3.154 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.702 4.560 3.617 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.096 5.153 1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.278 7.126 2.915 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.010 7.545 1.738 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.221 8.528 3.206 1.00 0.00 H new ATOM 897 N THR A 63 -0.650 5.262 3.560 1.00 0.00 N ATOM 898 CA THR A 63 -1.572 4.351 4.226 1.00 0.00 C ATOM 899 C THR A 63 -1.063 2.915 4.171 1.00 0.00 C ATOM 900 O THR A 63 -1.115 2.267 3.126 1.00 0.00 O ATOM 901 CB THR A 63 -2.975 4.410 3.593 1.00 0.00 C ATOM 902 OG1 THR A 63 -3.433 5.767 3.542 1.00 0.00 O ATOM 903 CG2 THR A 63 -3.963 3.567 4.386 1.00 0.00 C ATOM 0 H THR A 63 -0.475 5.042 2.579 1.00 0.00 H new ATOM 0 HA THR A 63 -1.636 4.671 5.266 1.00 0.00 H new ATOM 0 HB THR A 63 -2.910 4.010 2.581 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.408 5.780 3.446 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.947 3.624 3.920 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.628 2.530 4.399 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.023 3.942 5.408 1.00 0.00 H new ATOM 911 N HIS A 64 -0.571 2.424 5.304 1.00 0.00 N ATOM 912 CA HIS A 64 -0.053 1.063 5.385 1.00 0.00 C ATOM 913 C HIS A 64 -1.120 0.105 5.908 1.00 0.00 C ATOM 914 O HIS A 64 -1.508 0.171 7.075 1.00 0.00 O ATOM 915 CB HIS A 64 1.179 1.017 6.291 1.00 0.00 C ATOM 916 CG HIS A 64 2.178 2.094 5.999 1.00 0.00 C ATOM 917 ND1 HIS A 64 3.129 1.988 5.006 1.00 0.00 N ATOM 918 CD2 HIS A 64 2.368 3.304 6.576 1.00 0.00 C ATOM 919 CE1 HIS A 64 3.863 3.087 4.986 1.00 0.00 C ATOM 920 NE2 HIS A 64 3.423 3.901 5.928 1.00 0.00 N ATOM 0 H HIS A 64 -0.520 2.948 6.178 1.00 0.00 H new ATOM 0 HA HIS A 64 0.231 0.748 4.381 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.859 1.101 7.330 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.662 0.046 6.184 1.00 0.00 H new ATOM 0 HD1 HIS A 64 3.247 1.188 4.385 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.798 3.722 7.392 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.684 3.286 4.313 1.00 0.00 H new ATOM 929 N ILE A 65 -1.589 -0.781 5.037 1.00 0.00 N ATOM 930 CA ILE A 65 -2.610 -1.751 5.411 1.00 0.00 C ATOM 931 C ILE A 65 -2.080 -3.177 5.305 1.00 0.00 C ATOM 932 O ILE A 65 -1.641 -3.610 4.240 1.00 0.00 O ATOM 933 CB ILE A 65 -3.866 -1.616 4.529 1.00 0.00 C ATOM 934 CG1 ILE A 65 -4.406 -0.185 4.588 1.00 0.00 C ATOM 935 CG2 ILE A 65 -4.931 -2.609 4.968 1.00 0.00 C ATOM 936 CD1 ILE A 65 -5.219 0.204 3.374 1.00 0.00 C ATOM 0 H ILE A 65 -1.278 -0.847 4.068 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.878 -1.542 6.446 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.593 -1.839 3.497 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.024 -0.075 5.479 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.570 0.506 4.692 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.812 -2.501 4.335 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.542 -3.623 4.878 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.204 -2.415 6.005 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.569 1.230 3.484 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.599 0.126 2.481 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -6.075 -0.464 3.280 1.00 0.00 H new ATOM 948 N LYS A 66 -2.125 -3.903 6.417 1.00 0.00 N ATOM 949 CA LYS A 66 -1.651 -5.282 6.451 1.00 0.00 C ATOM 950 C LYS A 66 -2.550 -6.185 5.613 1.00 0.00 C ATOM 951 O LYS A 66 -3.776 -6.128 5.716 1.00 0.00 O ATOM 952 CB LYS A 66 -1.600 -5.790 7.893 1.00 0.00 C ATOM 953 CG LYS A 66 -0.284 -5.501 8.594 1.00 0.00 C ATOM 954 CD LYS A 66 -0.353 -5.843 10.072 1.00 0.00 C ATOM 955 CE LYS A 66 1.031 -5.879 10.701 1.00 0.00 C ATOM 956 NZ LYS A 66 0.964 -5.887 12.189 1.00 0.00 N ATOM 0 H LYS A 66 -2.485 -3.559 7.307 1.00 0.00 H new ATOM 0 HA LYS A 66 -0.646 -5.306 6.029 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.412 -5.333 8.459 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.775 -6.866 7.897 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.514 -6.076 8.124 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.031 -4.448 8.475 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.969 -5.107 10.588 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.837 -6.811 10.200 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.563 -6.766 10.357 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.604 -5.014 10.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.927 -5.912 12.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.478 -5.029 12.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.439 -6.726 12.508 1.00 0.00 H new ATOM 970 N VAL A 67 -1.934 -7.022 4.784 1.00 0.00 N ATOM 971 CA VAL A 67 -2.678 -7.941 3.931 1.00 0.00 C ATOM 972 C VAL A 67 -2.557 -9.376 4.432 1.00 0.00 C ATOM 973 O VAL A 67 -1.609 -10.084 4.093 1.00 0.00 O ATOM 974 CB VAL A 67 -2.188 -7.875 2.473 1.00 0.00 C ATOM 975 CG1 VAL A 67 -2.948 -8.868 1.607 1.00 0.00 C ATOM 976 CG2 VAL A 67 -2.330 -6.461 1.927 1.00 0.00 C ATOM 0 H VAL A 67 -0.921 -7.082 4.685 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.723 -7.633 3.969 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.132 -8.145 2.451 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.587 -8.806 0.580 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.790 -9.877 1.987 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.012 -8.633 1.632 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.979 -6.432 0.895 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.377 -6.161 1.963 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.735 -5.776 2.532 1.00 0.00 H new ATOM 986 N MET A 68 -3.524 -9.799 5.238 1.00 0.00 N ATOM 987 CA MET A 68 -3.526 -11.152 5.784 1.00 0.00 C ATOM 988 C MET A 68 -3.488 -12.188 4.666 1.00 0.00 C ATOM 989 O MET A 68 -3.666 -11.857 3.493 1.00 0.00 O ATOM 990 CB MET A 68 -4.765 -11.370 6.656 1.00 0.00 C ATOM 991 CG MET A 68 -4.591 -10.893 8.088 1.00 0.00 C ATOM 992 SD MET A 68 -6.148 -10.837 8.996 1.00 0.00 S ATOM 993 CE MET A 68 -6.893 -9.365 8.299 1.00 0.00 C ATOM 0 H MET A 68 -4.316 -9.226 5.528 1.00 0.00 H new ATOM 0 HA MET A 68 -2.633 -11.272 6.397 1.00 0.00 H new ATOM 0 HB2 MET A 68 -5.611 -10.848 6.208 1.00 0.00 H new ATOM 0 HB3 MET A 68 -5.012 -12.432 6.663 1.00 0.00 H new ATOM 0 HG2 MET A 68 -3.897 -11.555 8.605 1.00 0.00 H new ATOM 0 HG3 MET A 68 -4.141 -9.900 8.084 1.00 0.00 H new ATOM 0 HE1 MET A 68 -6.987 -8.604 9.073 1.00 0.00 H new ATOM 0 HE2 MET A 68 -6.265 -8.986 7.492 1.00 0.00 H new ATOM 0 HE3 MET A 68 -7.880 -9.608 7.907 1.00 0.00 H new ATOM 1003 N CYS A 69 -3.255 -13.442 5.038 1.00 0.00 N ATOM 1004 CA CYS A 69 -3.192 -14.528 4.065 1.00 0.00 C ATOM 1005 C CYS A 69 -3.848 -15.790 4.616 1.00 0.00 C ATOM 1006 O CYS A 69 -3.367 -16.377 5.585 1.00 0.00 O ATOM 1007 CB CYS A 69 -1.740 -14.818 3.686 1.00 0.00 C ATOM 1008 SG CYS A 69 -1.526 -16.275 2.638 1.00 0.00 S ATOM 0 H CYS A 69 -3.107 -13.732 6.005 1.00 0.00 H new ATOM 0 HA CYS A 69 -3.737 -14.216 3.174 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -1.330 -13.950 3.170 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.158 -14.951 4.598 1.00 0.00 H new ATOM 0 HG CYS A 69 -1.687 -15.941 1.392 1.00 0.00 H new ATOM 1014 N GLU A 70 -4.947 -16.200 3.993 1.00 0.00 N ATOM 1015 CA GLU A 70 -5.669 -17.392 4.424 1.00 0.00 C ATOM 1016 C GLU A 70 -5.454 -18.543 3.446 1.00 0.00 C ATOM 1017 O GLU A 70 -6.296 -18.812 2.590 1.00 0.00 O ATOM 1018 CB GLU A 70 -7.165 -17.091 4.552 1.00 0.00 C ATOM 1019 CG GLU A 70 -7.500 -16.146 5.694 1.00 0.00 C ATOM 1020 CD GLU A 70 -8.989 -15.897 5.827 1.00 0.00 C ATOM 1021 OE1 GLU A 70 -9.619 -15.515 4.817 1.00 0.00 O ATOM 1022 OE2 GLU A 70 -9.526 -16.082 6.939 1.00 0.00 O ATOM 0 H GLU A 70 -5.357 -15.725 3.189 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.280 -17.688 5.398 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.521 -16.658 3.617 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.704 -18.027 4.696 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.120 -16.561 6.627 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.989 -15.196 5.536 1.00 0.00 H new ATOM 1029 N GLY A 71 -4.316 -19.220 3.578 1.00 0.00 N ATOM 1030 CA GLY A 71 -4.008 -20.332 2.700 1.00 0.00 C ATOM 1031 C GLY A 71 -3.924 -19.916 1.245 1.00 0.00 C ATOM 1032 O GLY A 71 -4.670 -20.417 0.404 1.00 0.00 O ATOM 0 H GLY A 71 -3.603 -19.017 4.278 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.061 -20.778 3.002 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.772 -21.101 2.811 1.00 0.00 H new ATOM 1036 N GLY A 72 -3.014 -18.995 0.945 1.00 0.00 N ATOM 1037 CA GLY A 72 -2.853 -18.526 -0.418 1.00 0.00 C ATOM 1038 C GLY A 72 -3.669 -17.282 -0.703 1.00 0.00 C ATOM 1039 O GLY A 72 -3.184 -16.343 -1.336 1.00 0.00 O ATOM 0 H GLY A 72 -2.385 -18.565 1.623 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.800 -18.317 -0.605 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.148 -19.316 -1.108 1.00 0.00 H new ATOM 1043 N ARG A 73 -4.914 -17.273 -0.238 1.00 0.00 N ATOM 1044 CA ARG A 73 -5.801 -16.135 -0.448 1.00 0.00 C ATOM 1045 C ARG A 73 -5.297 -14.907 0.303 1.00 0.00 C ATOM 1046 O ARG A 73 -4.365 -14.994 1.101 1.00 0.00 O ATOM 1047 CB ARG A 73 -7.221 -16.477 0.005 1.00 0.00 C ATOM 1048 CG ARG A 73 -7.774 -17.743 -0.628 1.00 0.00 C ATOM 1049 CD ARG A 73 -8.850 -18.376 0.240 1.00 0.00 C ATOM 1050 NE ARG A 73 -10.130 -17.684 0.119 1.00 0.00 N ATOM 1051 CZ ARG A 73 -11.295 -18.227 0.454 1.00 0.00 C ATOM 1052 NH1 ARG A 73 -11.341 -19.465 0.929 1.00 0.00 N ATOM 1053 NH2 ARG A 73 -12.417 -17.533 0.315 1.00 0.00 N ATOM 0 H ARG A 73 -5.331 -18.041 0.287 1.00 0.00 H new ATOM 0 HA ARG A 73 -5.813 -15.908 -1.514 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -7.230 -16.589 1.089 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -7.881 -15.643 -0.235 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.187 -17.510 -1.609 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -6.965 -18.456 -0.784 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -8.975 -19.421 -0.043 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -8.529 -18.364 1.282 1.00 0.00 H new ATOM 0 HE ARG A 73 -10.130 -16.730 -0.243 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -10.481 -20.002 1.038 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -12.237 -19.880 1.186 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -12.386 -16.581 -0.050 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -13.311 -17.952 0.573 1.00 0.00 H new ATOM 1067 N TYR A 74 -5.920 -13.763 0.041 1.00 0.00 N ATOM 1068 CA TYR A 74 -5.534 -12.516 0.690 1.00 0.00 C ATOM 1069 C TYR A 74 -6.760 -11.665 1.009 1.00 0.00 C ATOM 1070 O TYR A 74 -7.718 -11.620 0.236 1.00 0.00 O ATOM 1071 CB TYR A 74 -4.570 -11.730 -0.200 1.00 0.00 C ATOM 1072 CG TYR A 74 -3.328 -12.504 -0.580 1.00 0.00 C ATOM 1073 CD1 TYR A 74 -2.581 -13.171 0.384 1.00 0.00 C ATOM 1074 CD2 TYR A 74 -2.901 -12.568 -1.899 1.00 0.00 C ATOM 1075 CE1 TYR A 74 -1.444 -13.878 0.042 1.00 0.00 C ATOM 1076 CE2 TYR A 74 -1.767 -13.275 -2.251 1.00 0.00 C ATOM 1077 CZ TYR A 74 -1.042 -13.928 -1.276 1.00 0.00 C ATOM 1078 OH TYR A 74 0.090 -14.631 -1.620 1.00 0.00 O ATOM 0 H TYR A 74 -6.695 -13.674 -0.617 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.033 -12.763 1.626 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.092 -11.428 -1.108 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.275 -10.817 0.317 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.894 -13.136 1.417 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.465 -12.056 -2.664 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -0.873 -14.389 0.803 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.450 -13.316 -3.283 1.00 0.00 H new ATOM 0 HH TYR A 74 0.866 -14.245 -1.163 1.00 0.00 H new ATOM 1088 N THR A 75 -6.721 -10.989 2.153 1.00 0.00 N ATOM 1089 CA THR A 75 -7.828 -10.139 2.576 1.00 0.00 C ATOM 1090 C THR A 75 -7.338 -8.997 3.459 1.00 0.00 C ATOM 1091 O THR A 75 -6.211 -9.023 3.954 1.00 0.00 O ATOM 1092 CB THR A 75 -8.894 -10.944 3.341 1.00 0.00 C ATOM 1093 OG1 THR A 75 -10.080 -10.158 3.503 1.00 0.00 O ATOM 1094 CG2 THR A 75 -8.373 -11.371 4.705 1.00 0.00 C ATOM 0 H THR A 75 -5.935 -11.013 2.803 1.00 0.00 H new ATOM 0 HA THR A 75 -8.275 -9.728 1.671 1.00 0.00 H new ATOM 0 HB THR A 75 -9.128 -11.837 2.762 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.866 -10.743 3.483 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.143 -11.938 5.227 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.487 -11.994 4.578 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.115 -10.487 5.289 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.190 -7.997 3.652 1.00 0.00 N ATOM 1103 CA VAL A 76 -7.844 -6.847 4.478 1.00 0.00 C ATOM 1104 C VAL A 76 -8.871 -6.636 5.587 1.00 0.00 C ATOM 1105 O VAL A 76 -9.821 -5.871 5.431 1.00 0.00 O ATOM 1106 CB VAL A 76 -7.745 -5.561 3.636 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -6.584 -5.651 2.658 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -9.052 -5.303 2.902 1.00 0.00 C ATOM 0 H VAL A 76 -9.126 -7.959 3.248 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.872 -7.059 4.922 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.560 -4.722 4.307 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.530 -4.734 2.072 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.653 -5.785 3.209 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.735 -6.499 1.991 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.964 -4.391 2.312 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.270 -6.142 2.242 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -9.860 -5.191 3.625 1.00 0.00 H new ATOM 1118 N GLY A 77 -8.671 -7.323 6.708 1.00 0.00 N ATOM 1119 CA GLY A 77 -9.586 -7.197 7.827 1.00 0.00 C ATOM 1120 C GLY A 77 -10.887 -7.942 7.598 1.00 0.00 C ATOM 1121 O GLY A 77 -11.203 -8.888 8.318 1.00 0.00 O ATOM 0 H GLY A 77 -7.892 -7.964 6.861 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.107 -7.577 8.729 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.800 -6.142 8.000 1.00 0.00 H new ATOM 1125 N GLY A 78 -11.643 -7.512 6.592 1.00 0.00 N ATOM 1126 CA GLY A 78 -12.909 -8.156 6.290 1.00 0.00 C ATOM 1127 C GLY A 78 -12.752 -9.632 5.988 1.00 0.00 C ATOM 1128 O GLY A 78 -11.634 -10.129 5.846 1.00 0.00 O ATOM 0 H GLY A 78 -11.402 -6.731 5.982 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.587 -8.031 7.135 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.370 -7.661 5.435 1.00 0.00 H new ATOM 1132 N LEU A 79 -13.874 -10.338 5.891 1.00 0.00 N ATOM 1133 CA LEU A 79 -13.856 -11.768 5.607 1.00 0.00 C ATOM 1134 C LEU A 79 -13.585 -12.025 4.127 1.00 0.00 C ATOM 1135 O LEU A 79 -13.271 -13.146 3.731 1.00 0.00 O ATOM 1136 CB LEU A 79 -15.186 -12.405 6.011 1.00 0.00 C ATOM 1137 CG LEU A 79 -15.352 -12.726 7.497 1.00 0.00 C ATOM 1138 CD1 LEU A 79 -16.826 -12.766 7.872 1.00 0.00 C ATOM 1139 CD2 LEU A 79 -14.678 -14.046 7.837 1.00 0.00 C ATOM 0 H LEU A 79 -14.807 -9.943 6.005 1.00 0.00 H new ATOM 0 HA LEU A 79 -13.053 -12.219 6.189 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -15.992 -11.735 5.712 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -15.311 -13.328 5.444 1.00 0.00 H new ATOM 0 HG LEU A 79 -14.871 -11.937 8.075 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -16.925 -12.996 8.933 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -17.280 -11.797 7.667 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -17.330 -13.534 7.286 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -14.807 -14.257 8.899 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -15.129 -14.846 7.250 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -13.615 -13.982 7.606 1.00 0.00 H new ATOM 1151 N GLU A 80 -13.707 -10.978 3.318 1.00 0.00 N ATOM 1152 CA GLU A 80 -13.473 -11.091 1.883 1.00 0.00 C ATOM 1153 C GLU A 80 -12.152 -11.799 1.601 1.00 0.00 C ATOM 1154 O GLU A 80 -11.358 -12.044 2.511 1.00 0.00 O ATOM 1155 CB GLU A 80 -13.472 -9.705 1.233 1.00 0.00 C ATOM 1156 CG GLU A 80 -14.849 -9.235 0.799 1.00 0.00 C ATOM 1157 CD GLU A 80 -14.825 -7.851 0.180 1.00 0.00 C ATOM 1158 OE1 GLU A 80 -14.578 -6.874 0.918 1.00 0.00 O ATOM 1159 OE2 GLU A 80 -15.051 -7.745 -1.044 1.00 0.00 O ATOM 0 H GLU A 80 -13.966 -10.043 3.631 1.00 0.00 H new ATOM 0 HA GLU A 80 -14.281 -11.684 1.455 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.056 -8.984 1.936 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -12.813 -9.721 0.365 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -15.261 -9.943 0.080 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -15.516 -9.232 1.661 1.00 0.00 H new ATOM 1166 N THR A 81 -11.921 -12.128 0.334 1.00 0.00 N ATOM 1167 CA THR A 81 -10.698 -12.809 -0.069 1.00 0.00 C ATOM 1168 C THR A 81 -10.402 -12.581 -1.547 1.00 0.00 C ATOM 1169 O THR A 81 -11.267 -12.134 -2.302 1.00 0.00 O ATOM 1170 CB THR A 81 -10.785 -14.325 0.197 1.00 0.00 C ATOM 1171 OG1 THR A 81 -11.870 -14.891 -0.546 1.00 0.00 O ATOM 1172 CG2 THR A 81 -10.978 -14.604 1.680 1.00 0.00 C ATOM 0 H THR A 81 -12.566 -11.933 -0.431 1.00 0.00 H new ATOM 0 HA THR A 81 -9.890 -12.388 0.530 1.00 0.00 H new ATOM 0 HB THR A 81 -9.849 -14.782 -0.123 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.515 -15.452 -1.267 1.00 0.00 H new ATOM 0 HG21 THR A 81 -11.037 -15.680 1.843 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.135 -14.198 2.239 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.901 -14.134 2.022 1.00 0.00 H new ATOM 1180 N PHE A 82 -9.176 -12.891 -1.956 1.00 0.00 N ATOM 1181 CA PHE A 82 -8.766 -12.719 -3.344 1.00 0.00 C ATOM 1182 C PHE A 82 -7.766 -13.796 -3.754 1.00 0.00 C ATOM 1183 O PHE A 82 -6.948 -14.238 -2.947 1.00 0.00 O ATOM 1184 CB PHE A 82 -8.153 -11.332 -3.549 1.00 0.00 C ATOM 1185 CG PHE A 82 -9.065 -10.208 -3.150 1.00 0.00 C ATOM 1186 CD1 PHE A 82 -10.010 -9.718 -4.036 1.00 0.00 C ATOM 1187 CD2 PHE A 82 -8.976 -9.641 -1.889 1.00 0.00 C ATOM 1188 CE1 PHE A 82 -10.852 -8.684 -3.672 1.00 0.00 C ATOM 1189 CE2 PHE A 82 -9.816 -8.606 -1.520 1.00 0.00 C ATOM 1190 CZ PHE A 82 -10.754 -8.126 -2.413 1.00 0.00 C ATOM 0 H PHE A 82 -8.449 -13.263 -1.345 1.00 0.00 H new ATOM 0 HA PHE A 82 -9.652 -12.813 -3.972 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.231 -11.263 -2.973 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.883 -11.215 -4.598 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -10.090 -10.149 -5.023 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -8.243 -10.011 -1.187 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -11.586 -8.313 -4.372 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -9.738 -8.173 -0.534 1.00 0.00 H new ATOM 0 HZ PHE A 82 -11.409 -7.316 -2.127 1.00 0.00 H new ATOM 1200 N ASP A 83 -7.838 -14.214 -5.012 1.00 0.00 N ATOM 1201 CA ASP A 83 -6.939 -15.239 -5.530 1.00 0.00 C ATOM 1202 C ASP A 83 -5.483 -14.864 -5.276 1.00 0.00 C ATOM 1203 O ASP A 83 -4.634 -15.731 -5.073 1.00 0.00 O ATOM 1204 CB ASP A 83 -7.173 -15.442 -7.028 1.00 0.00 C ATOM 1205 CG ASP A 83 -8.350 -16.353 -7.313 1.00 0.00 C ATOM 1206 OD1 ASP A 83 -9.395 -16.198 -6.647 1.00 0.00 O ATOM 1207 OD2 ASP A 83 -8.228 -17.222 -8.201 1.00 0.00 O ATOM 0 H ASP A 83 -8.510 -13.859 -5.693 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.151 -16.172 -5.007 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.344 -14.475 -7.500 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -6.274 -15.863 -7.479 1.00 0.00 H new ATOM 1212 N SER A 84 -5.202 -13.564 -5.289 1.00 0.00 N ATOM 1213 CA SER A 84 -3.846 -13.074 -5.064 1.00 0.00 C ATOM 1214 C SER A 84 -3.823 -11.550 -5.005 1.00 0.00 C ATOM 1215 O SER A 84 -4.844 -10.893 -5.216 1.00 0.00 O ATOM 1216 CB SER A 84 -2.913 -13.567 -6.172 1.00 0.00 C ATOM 1217 OG SER A 84 -1.556 -13.489 -5.769 1.00 0.00 O ATOM 0 H SER A 84 -5.894 -12.832 -5.453 1.00 0.00 H new ATOM 0 HA SER A 84 -3.499 -13.463 -4.107 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.161 -14.597 -6.429 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.063 -12.969 -7.071 1.00 0.00 H new ATOM 0 HG SER A 84 -0.980 -13.811 -6.494 1.00 0.00 H new ATOM 1223 N LEU A 85 -2.653 -10.993 -4.715 1.00 0.00 N ATOM 1224 CA LEU A 85 -2.495 -9.546 -4.627 1.00 0.00 C ATOM 1225 C LEU A 85 -3.198 -8.850 -5.788 1.00 0.00 C ATOM 1226 O LEU A 85 -3.714 -7.741 -5.641 1.00 0.00 O ATOM 1227 CB LEU A 85 -1.011 -9.174 -4.618 1.00 0.00 C ATOM 1228 CG LEU A 85 -0.344 -9.103 -3.244 1.00 0.00 C ATOM 1229 CD1 LEU A 85 -0.990 -8.019 -2.394 1.00 0.00 C ATOM 1230 CD2 LEU A 85 -0.423 -10.451 -2.542 1.00 0.00 C ATOM 0 H LEU A 85 -1.799 -11.522 -4.537 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.952 -9.212 -3.696 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.471 -9.901 -5.224 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.897 -8.206 -5.105 1.00 0.00 H new ATOM 0 HG LEU A 85 0.707 -8.850 -3.384 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.503 -7.982 -1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.882 -7.055 -2.890 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.049 -8.242 -2.262 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.057 -10.381 -1.566 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.468 -10.734 -2.414 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.085 -11.205 -3.143 1.00 0.00 H new ATOM 1242 N THR A 86 -3.217 -9.508 -6.943 1.00 0.00 N ATOM 1243 CA THR A 86 -3.857 -8.954 -8.128 1.00 0.00 C ATOM 1244 C THR A 86 -5.360 -8.805 -7.923 1.00 0.00 C ATOM 1245 O THR A 86 -5.904 -7.704 -8.016 1.00 0.00 O ATOM 1246 CB THR A 86 -3.605 -9.834 -9.367 1.00 0.00 C ATOM 1247 OG1 THR A 86 -2.198 -9.948 -9.609 1.00 0.00 O ATOM 1248 CG2 THR A 86 -4.290 -9.252 -10.594 1.00 0.00 C ATOM 0 H THR A 86 -2.796 -10.426 -7.082 1.00 0.00 H new ATOM 0 HA THR A 86 -3.416 -7.971 -8.294 1.00 0.00 H new ATOM 0 HB THR A 86 -4.022 -10.822 -9.173 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.046 -10.510 -10.397 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.097 -9.891 -11.456 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.364 -9.194 -10.418 1.00 0.00 H new ATOM 0 HG23 THR A 86 -3.900 -8.253 -10.789 1.00 0.00 H new ATOM 1256 N ASP A 87 -6.027 -9.919 -7.642 1.00 0.00 N ATOM 1257 CA ASP A 87 -7.469 -9.912 -7.420 1.00 0.00 C ATOM 1258 C ASP A 87 -7.848 -8.903 -6.341 1.00 0.00 C ATOM 1259 O ASP A 87 -8.858 -8.206 -6.454 1.00 0.00 O ATOM 1260 CB ASP A 87 -7.952 -11.308 -7.023 1.00 0.00 C ATOM 1261 CG ASP A 87 -8.297 -12.164 -8.226 1.00 0.00 C ATOM 1262 OD1 ASP A 87 -7.397 -12.417 -9.053 1.00 0.00 O ATOM 1263 OD2 ASP A 87 -9.469 -12.582 -8.339 1.00 0.00 O ATOM 0 H ASP A 87 -5.593 -10.838 -7.562 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.954 -9.620 -8.351 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.178 -11.804 -6.437 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -8.829 -11.217 -6.381 1.00 0.00 H new ATOM 1268 N LEU A 88 -7.034 -8.831 -5.293 1.00 0.00 N ATOM 1269 CA LEU A 88 -7.283 -7.907 -4.192 1.00 0.00 C ATOM 1270 C LEU A 88 -7.099 -6.461 -4.641 1.00 0.00 C ATOM 1271 O LEU A 88 -8.028 -5.656 -4.572 1.00 0.00 O ATOM 1272 CB LEU A 88 -6.347 -8.212 -3.022 1.00 0.00 C ATOM 1273 CG LEU A 88 -6.624 -7.452 -1.725 1.00 0.00 C ATOM 1274 CD1 LEU A 88 -6.203 -8.280 -0.520 1.00 0.00 C ATOM 1275 CD2 LEU A 88 -5.906 -6.111 -1.729 1.00 0.00 C ATOM 0 H LEU A 88 -6.196 -9.402 -5.183 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.315 -8.039 -3.868 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.397 -9.280 -2.811 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.325 -7.997 -3.335 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.696 -7.268 -1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.408 -7.723 0.394 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.763 -9.215 -0.508 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.136 -8.496 -0.582 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.115 -5.584 -0.798 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.832 -6.274 -1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.256 -5.513 -2.571 1.00 0.00 H new ATOM 1287 N VAL A 89 -5.897 -6.139 -5.105 1.00 0.00 N ATOM 1288 CA VAL A 89 -5.591 -4.791 -5.569 1.00 0.00 C ATOM 1289 C VAL A 89 -6.538 -4.367 -6.686 1.00 0.00 C ATOM 1290 O VAL A 89 -7.308 -3.420 -6.534 1.00 0.00 O ATOM 1291 CB VAL A 89 -4.139 -4.687 -6.073 1.00 0.00 C ATOM 1292 CG1 VAL A 89 -3.829 -3.264 -6.515 1.00 0.00 C ATOM 1293 CG2 VAL A 89 -3.167 -5.143 -4.997 1.00 0.00 C ATOM 0 H VAL A 89 -5.118 -6.794 -5.170 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.719 -4.125 -4.716 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.024 -5.344 -6.935 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.799 -3.209 -6.868 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.505 -2.978 -7.321 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.961 -2.585 -5.673 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.146 -5.063 -5.371 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.281 -4.514 -4.114 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.376 -6.180 -4.733 1.00 0.00 H new ATOM 1303 N GLU A 90 -6.474 -5.076 -7.809 1.00 0.00 N ATOM 1304 CA GLU A 90 -7.326 -4.773 -8.953 1.00 0.00 C ATOM 1305 C GLU A 90 -8.750 -4.461 -8.503 1.00 0.00 C ATOM 1306 O GLU A 90 -9.296 -3.402 -8.817 1.00 0.00 O ATOM 1307 CB GLU A 90 -7.335 -5.945 -9.936 1.00 0.00 C ATOM 1308 CG GLU A 90 -6.068 -6.052 -10.767 1.00 0.00 C ATOM 1309 CD GLU A 90 -6.067 -5.107 -11.953 1.00 0.00 C ATOM 1310 OE1 GLU A 90 -7.161 -4.811 -12.477 1.00 0.00 O ATOM 1311 OE2 GLU A 90 -4.972 -4.663 -12.359 1.00 0.00 O ATOM 0 H GLU A 90 -5.841 -5.864 -7.951 1.00 0.00 H new ATOM 0 HA GLU A 90 -6.920 -3.893 -9.452 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.475 -6.873 -9.381 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.190 -5.841 -10.604 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.205 -5.838 -10.136 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.957 -7.076 -11.123 1.00 0.00 H new ATOM 1318 N HIS A 91 -9.348 -5.391 -7.764 1.00 0.00 N ATOM 1319 CA HIS A 91 -10.709 -5.216 -7.271 1.00 0.00 C ATOM 1320 C HIS A 91 -10.815 -3.970 -6.398 1.00 0.00 C ATOM 1321 O HIS A 91 -11.888 -3.380 -6.266 1.00 0.00 O ATOM 1322 CB HIS A 91 -11.148 -6.447 -6.477 1.00 0.00 C ATOM 1323 CG HIS A 91 -12.444 -6.260 -5.750 1.00 0.00 C ATOM 1324 ND1 HIS A 91 -13.659 -6.664 -6.263 1.00 0.00 N ATOM 1325 CD2 HIS A 91 -12.711 -5.711 -4.543 1.00 0.00 C ATOM 1326 CE1 HIS A 91 -14.617 -6.370 -5.403 1.00 0.00 C ATOM 1327 NE2 HIS A 91 -14.069 -5.791 -4.349 1.00 0.00 N ATOM 0 H HIS A 91 -8.911 -6.272 -7.494 1.00 0.00 H new ATOM 0 HA HIS A 91 -11.367 -5.093 -8.131 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -11.241 -7.294 -7.157 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -10.370 -6.701 -5.757 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -11.990 -5.288 -3.859 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -15.670 -6.569 -5.538 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -14.572 -5.458 -3.526 1.00 0.00 H new ATOM 1336 N PHE A 92 -9.694 -3.573 -5.803 1.00 0.00 N ATOM 1337 CA PHE A 92 -9.662 -2.396 -4.941 1.00 0.00 C ATOM 1338 C PHE A 92 -9.258 -1.155 -5.731 1.00 0.00 C ATOM 1339 O PHE A 92 -9.420 -0.028 -5.264 1.00 0.00 O ATOM 1340 CB PHE A 92 -8.688 -2.616 -3.781 1.00 0.00 C ATOM 1341 CG PHE A 92 -9.338 -3.183 -2.553 1.00 0.00 C ATOM 1342 CD1 PHE A 92 -10.526 -2.654 -2.073 1.00 0.00 C ATOM 1343 CD2 PHE A 92 -8.762 -4.246 -1.877 1.00 0.00 C ATOM 1344 CE1 PHE A 92 -11.126 -3.173 -0.942 1.00 0.00 C ATOM 1345 CE2 PHE A 92 -9.358 -4.771 -0.744 1.00 0.00 C ATOM 1346 CZ PHE A 92 -10.542 -4.235 -0.278 1.00 0.00 C ATOM 0 H PHE A 92 -8.797 -4.048 -5.902 1.00 0.00 H new ATOM 0 HA PHE A 92 -10.664 -2.240 -4.541 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.894 -3.289 -4.106 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.217 -1.666 -3.528 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -10.988 -1.826 -2.590 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.837 -4.670 -2.239 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -12.050 -2.749 -0.577 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.898 -5.599 -0.225 1.00 0.00 H new ATOM 0 HZ PHE A 92 -11.011 -4.645 0.604 1.00 0.00 H new ATOM 1356 N LYS A 93 -8.733 -1.369 -6.933 1.00 0.00 N ATOM 1357 CA LYS A 93 -8.307 -0.270 -7.790 1.00 0.00 C ATOM 1358 C LYS A 93 -9.510 0.445 -8.396 1.00 0.00 C ATOM 1359 O LYS A 93 -9.399 1.577 -8.868 1.00 0.00 O ATOM 1360 CB LYS A 93 -7.393 -0.789 -8.904 1.00 0.00 C ATOM 1361 CG LYS A 93 -6.104 -1.408 -8.393 1.00 0.00 C ATOM 1362 CD LYS A 93 -4.971 -1.238 -9.391 1.00 0.00 C ATOM 1363 CE LYS A 93 -5.038 -2.283 -10.494 1.00 0.00 C ATOM 1364 NZ LYS A 93 -4.160 -1.932 -11.644 1.00 0.00 N ATOM 0 H LYS A 93 -8.592 -2.296 -7.336 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.754 0.442 -7.178 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -7.935 -1.531 -9.491 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.150 0.034 -9.576 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.828 -0.946 -7.445 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.261 -2.469 -8.197 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -5.018 -0.241 -9.830 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -4.015 -1.314 -8.874 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.742 -3.253 -10.094 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.067 -2.381 -10.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.114 -2.735 -12.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.547 -1.102 -12.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.204 -1.714 -11.297 1.00 0.00 H new ATOM 1378 N LYS A 94 -10.659 -0.221 -8.380 1.00 0.00 N ATOM 1379 CA LYS A 94 -11.884 0.351 -8.924 1.00 0.00 C ATOM 1380 C LYS A 94 -12.830 0.777 -7.807 1.00 0.00 C ATOM 1381 O LYS A 94 -13.414 1.861 -7.853 1.00 0.00 O ATOM 1382 CB LYS A 94 -12.580 -0.660 -9.839 1.00 0.00 C ATOM 1383 CG LYS A 94 -12.683 -2.052 -9.239 1.00 0.00 C ATOM 1384 CD LYS A 94 -13.313 -3.033 -10.214 1.00 0.00 C ATOM 1385 CE LYS A 94 -13.955 -4.206 -9.488 1.00 0.00 C ATOM 1386 NZ LYS A 94 -15.259 -3.831 -8.875 1.00 0.00 N ATOM 0 H LYS A 94 -10.767 -1.159 -7.995 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.616 1.234 -9.504 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.582 -0.298 -10.071 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -12.036 -0.719 -10.782 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -11.690 -2.403 -8.959 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.277 -2.013 -8.326 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -14.065 -2.520 -10.814 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -12.553 -3.402 -10.903 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -14.106 -5.028 -10.188 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -13.279 -4.567 -8.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -15.404 -4.381 -8.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -15.256 -2.816 -8.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -16.028 -4.033 -9.545 1.00 0.00 H new ATOM 1400 N THR A 95 -12.977 -0.081 -6.802 1.00 0.00 N ATOM 1401 CA THR A 95 -13.851 0.207 -5.672 1.00 0.00 C ATOM 1402 C THR A 95 -13.146 1.079 -4.640 1.00 0.00 C ATOM 1403 O THR A 95 -13.673 2.108 -4.218 1.00 0.00 O ATOM 1404 CB THR A 95 -14.334 -1.087 -4.991 1.00 0.00 C ATOM 1405 OG1 THR A 95 -13.230 -1.756 -4.372 1.00 0.00 O ATOM 1406 CG2 THR A 95 -14.995 -2.016 -5.999 1.00 0.00 C ATOM 0 H THR A 95 -12.501 -0.982 -6.748 1.00 0.00 H new ATOM 0 HA THR A 95 -14.713 0.743 -6.068 1.00 0.00 H new ATOM 0 HB THR A 95 -15.069 -0.819 -4.232 1.00 0.00 H new ATOM 0 HG1 THR A 95 -12.774 -2.316 -5.034 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.328 -2.923 -5.494 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.853 -1.515 -6.448 1.00 0.00 H new ATOM 0 HG23 THR A 95 -14.279 -2.276 -6.778 1.00 0.00 H new ATOM 1414 N GLY A 96 -11.950 0.661 -4.236 1.00 0.00 N ATOM 1415 CA GLY A 96 -11.193 1.416 -3.255 1.00 0.00 C ATOM 1416 C GLY A 96 -11.318 0.842 -1.858 1.00 0.00 C ATOM 1417 O GLY A 96 -12.133 -0.049 -1.617 1.00 0.00 O ATOM 0 H GLY A 96 -11.492 -0.187 -4.571 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.142 1.432 -3.545 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -11.538 2.450 -3.252 1.00 0.00 H new ATOM 1421 N ILE A 97 -10.508 1.352 -0.937 1.00 0.00 N ATOM 1422 CA ILE A 97 -10.531 0.884 0.443 1.00 0.00 C ATOM 1423 C ILE A 97 -10.968 1.995 1.393 1.00 0.00 C ATOM 1424 O ILE A 97 -10.520 3.135 1.277 1.00 0.00 O ATOM 1425 CB ILE A 97 -9.152 0.359 0.884 1.00 0.00 C ATOM 1426 CG1 ILE A 97 -8.713 -0.800 -0.014 1.00 0.00 C ATOM 1427 CG2 ILE A 97 -9.192 -0.078 2.340 1.00 0.00 C ATOM 1428 CD1 ILE A 97 -7.211 -0.945 -0.122 1.00 0.00 C ATOM 0 H ILE A 97 -9.828 2.089 -1.121 1.00 0.00 H new ATOM 0 HA ILE A 97 -11.251 0.067 0.487 1.00 0.00 H new ATOM 0 HB ILE A 97 -8.425 1.165 0.787 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -9.133 -1.728 0.373 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.129 -0.654 -1.011 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -8.210 -0.446 2.636 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -9.466 0.770 2.967 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -9.929 -0.872 2.462 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.973 -1.786 -0.774 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.786 -0.031 -0.538 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.790 -1.122 0.868 1.00 0.00 H new ATOM 1440 N GLU A 98 -11.841 1.651 2.335 1.00 0.00 N ATOM 1441 CA GLU A 98 -12.336 2.620 3.306 1.00 0.00 C ATOM 1442 C GLU A 98 -11.672 2.416 4.665 1.00 0.00 C ATOM 1443 O GLU A 98 -11.585 1.294 5.162 1.00 0.00 O ATOM 1444 CB GLU A 98 -13.856 2.504 3.445 1.00 0.00 C ATOM 1445 CG GLU A 98 -14.437 3.394 4.532 1.00 0.00 C ATOM 1446 CD GLU A 98 -15.946 3.504 4.449 1.00 0.00 C ATOM 1447 OE1 GLU A 98 -16.578 2.586 3.885 1.00 0.00 O ATOM 1448 OE2 GLU A 98 -16.496 4.509 4.949 1.00 0.00 O ATOM 0 H GLU A 98 -12.219 0.710 2.446 1.00 0.00 H new ATOM 0 HA GLU A 98 -12.086 3.618 2.946 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -14.320 2.758 2.492 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -14.115 1.467 3.659 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -14.158 2.998 5.508 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -13.999 4.389 4.455 1.00 0.00 H new ATOM 1455 N GLU A 99 -11.206 3.510 5.259 1.00 0.00 N ATOM 1456 CA GLU A 99 -10.550 3.450 6.560 1.00 0.00 C ATOM 1457 C GLU A 99 -11.510 3.855 7.674 1.00 0.00 C ATOM 1458 O GLU A 99 -12.573 4.419 7.417 1.00 0.00 O ATOM 1459 CB GLU A 99 -9.319 4.361 6.576 1.00 0.00 C ATOM 1460 CG GLU A 99 -8.332 4.070 5.459 1.00 0.00 C ATOM 1461 CD GLU A 99 -7.546 2.794 5.692 1.00 0.00 C ATOM 1462 OE1 GLU A 99 -6.885 2.687 6.745 1.00 0.00 O ATOM 1463 OE2 GLU A 99 -7.594 1.901 4.819 1.00 0.00 O ATOM 0 H GLU A 99 -11.270 4.447 4.861 1.00 0.00 H new ATOM 0 HA GLU A 99 -10.236 2.421 6.733 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -9.644 5.399 6.501 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -8.811 4.255 7.535 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -8.870 3.993 4.514 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.640 4.906 5.364 1.00 0.00 H new ATOM 1470 N ALA A 100 -11.127 3.563 8.912 1.00 0.00 N ATOM 1471 CA ALA A 100 -11.953 3.897 10.066 1.00 0.00 C ATOM 1472 C ALA A 100 -12.025 5.407 10.270 1.00 0.00 C ATOM 1473 O ALA A 100 -13.103 6.000 10.205 1.00 0.00 O ATOM 1474 CB ALA A 100 -11.412 3.220 11.316 1.00 0.00 C ATOM 0 H ALA A 100 -10.250 3.096 9.142 1.00 0.00 H new ATOM 0 HA ALA A 100 -12.963 3.533 9.877 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -12.038 3.478 12.170 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -11.417 2.139 11.176 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -10.392 3.557 11.500 1.00 0.00 H new ATOM 1480 N SER A 101 -10.874 6.022 10.518 1.00 0.00 N ATOM 1481 CA SER A 101 -10.809 7.462 10.736 1.00 0.00 C ATOM 1482 C SER A 101 -11.827 8.191 9.864 1.00 0.00 C ATOM 1483 O SER A 101 -12.572 9.045 10.342 1.00 0.00 O ATOM 1484 CB SER A 101 -9.400 7.982 10.437 1.00 0.00 C ATOM 1485 OG SER A 101 -9.100 9.122 11.223 1.00 0.00 O ATOM 0 H SER A 101 -9.974 5.546 10.573 1.00 0.00 H new ATOM 0 HA SER A 101 -11.047 7.657 11.782 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.670 7.197 10.635 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.319 8.234 9.380 1.00 0.00 H new ATOM 0 HG SER A 101 -8.195 9.434 11.015 1.00 0.00 H new ATOM 1491 N GLY A 102 -11.851 7.845 8.580 1.00 0.00 N ATOM 1492 CA GLY A 102 -12.781 8.476 7.660 1.00 0.00 C ATOM 1493 C GLY A 102 -12.130 8.849 6.344 1.00 0.00 C ATOM 1494 O GLY A 102 -12.527 9.821 5.701 1.00 0.00 O ATOM 0 H GLY A 102 -11.244 7.140 8.161 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.615 7.800 7.471 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -13.195 9.371 8.124 1.00 0.00 H new ATOM 1498 N ALA A 103 -11.127 8.076 5.941 1.00 0.00 N ATOM 1499 CA ALA A 103 -10.421 8.331 4.692 1.00 0.00 C ATOM 1500 C ALA A 103 -10.641 7.199 3.695 1.00 0.00 C ATOM 1501 O ALA A 103 -10.947 6.069 4.080 1.00 0.00 O ATOM 1502 CB ALA A 103 -8.934 8.522 4.956 1.00 0.00 C ATOM 0 H ALA A 103 -10.785 7.268 6.462 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.823 9.246 4.257 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.419 8.712 4.014 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.789 9.370 5.626 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.528 7.622 5.417 1.00 0.00 H new ATOM 1508 N PHE A 104 -10.486 7.506 2.412 1.00 0.00 N ATOM 1509 CA PHE A 104 -10.670 6.514 1.359 1.00 0.00 C ATOM 1510 C PHE A 104 -9.432 6.426 0.471 1.00 0.00 C ATOM 1511 O PHE A 104 -9.093 7.374 -0.238 1.00 0.00 O ATOM 1512 CB PHE A 104 -11.895 6.861 0.511 1.00 0.00 C ATOM 1513 CG PHE A 104 -13.164 6.225 1.003 1.00 0.00 C ATOM 1514 CD1 PHE A 104 -13.880 6.793 2.046 1.00 0.00 C ATOM 1515 CD2 PHE A 104 -13.641 5.060 0.425 1.00 0.00 C ATOM 1516 CE1 PHE A 104 -15.049 6.210 2.501 1.00 0.00 C ATOM 1517 CE2 PHE A 104 -14.809 4.474 0.875 1.00 0.00 C ATOM 1518 CZ PHE A 104 -15.513 5.049 1.915 1.00 0.00 C ATOM 0 H PHE A 104 -10.233 8.435 2.076 1.00 0.00 H new ATOM 0 HA PHE A 104 -10.826 5.544 1.832 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -12.022 7.943 0.497 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -11.716 6.547 -0.517 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -13.521 7.701 2.508 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -13.094 4.604 -0.387 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -15.598 6.662 3.314 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -15.171 3.567 0.414 1.00 0.00 H new ATOM 0 HZ PHE A 104 -16.425 4.591 2.269 1.00 0.00 H new ATOM 1528 N VAL A 105 -8.758 5.281 0.517 1.00 0.00 N ATOM 1529 CA VAL A 105 -7.559 5.066 -0.282 1.00 0.00 C ATOM 1530 C VAL A 105 -7.913 4.642 -1.703 1.00 0.00 C ATOM 1531 O VAL A 105 -8.729 3.744 -1.907 1.00 0.00 O ATOM 1532 CB VAL A 105 -6.646 3.999 0.350 1.00 0.00 C ATOM 1533 CG1 VAL A 105 -5.533 3.611 -0.612 1.00 0.00 C ATOM 1534 CG2 VAL A 105 -6.073 4.500 1.666 1.00 0.00 C ATOM 0 H VAL A 105 -9.023 4.487 1.100 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.026 6.016 -0.313 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.243 3.110 0.555 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.898 2.856 -0.148 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.967 3.208 -1.527 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.935 4.491 -0.851 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.430 3.733 2.098 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.490 5.404 1.488 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.887 4.723 2.356 1.00 0.00 H new ATOM 1544 N TYR A 106 -7.293 5.293 -2.681 1.00 0.00 N ATOM 1545 CA TYR A 106 -7.544 4.983 -4.084 1.00 0.00 C ATOM 1546 C TYR A 106 -6.278 4.471 -4.764 1.00 0.00 C ATOM 1547 O TYR A 106 -5.200 5.047 -4.610 1.00 0.00 O ATOM 1548 CB TYR A 106 -8.065 6.221 -4.816 1.00 0.00 C ATOM 1549 CG TYR A 106 -9.331 6.791 -4.216 1.00 0.00 C ATOM 1550 CD1 TYR A 106 -10.353 5.957 -3.782 1.00 0.00 C ATOM 1551 CD2 TYR A 106 -9.505 8.162 -4.087 1.00 0.00 C ATOM 1552 CE1 TYR A 106 -11.513 6.472 -3.235 1.00 0.00 C ATOM 1553 CE2 TYR A 106 -10.660 8.688 -3.540 1.00 0.00 C ATOM 1554 CZ TYR A 106 -11.660 7.839 -3.116 1.00 0.00 C ATOM 1555 OH TYR A 106 -12.813 8.357 -2.571 1.00 0.00 O ATOM 0 H TYR A 106 -6.613 6.038 -2.528 1.00 0.00 H new ATOM 0 HA TYR A 106 -8.300 4.199 -4.127 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -7.292 6.989 -4.809 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.251 5.965 -5.859 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -10.239 4.887 -3.874 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -8.724 8.829 -4.420 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -12.299 5.809 -2.903 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.778 9.757 -3.445 1.00 0.00 H new ATOM 0 HH TYR A 106 -12.758 9.335 -2.558 1.00 0.00 H new ATOM 1565 N LEU A 107 -6.417 3.385 -5.516 1.00 0.00 N ATOM 1566 CA LEU A 107 -5.285 2.793 -6.222 1.00 0.00 C ATOM 1567 C LEU A 107 -5.449 2.937 -7.732 1.00 0.00 C ATOM 1568 O LEU A 107 -5.762 1.970 -8.427 1.00 0.00 O ATOM 1569 CB LEU A 107 -5.143 1.316 -5.851 1.00 0.00 C ATOM 1570 CG LEU A 107 -5.319 0.977 -4.371 1.00 0.00 C ATOM 1571 CD1 LEU A 107 -6.776 0.663 -4.065 1.00 0.00 C ATOM 1572 CD2 LEU A 107 -4.427 -0.195 -3.982 1.00 0.00 C ATOM 0 H LEU A 107 -7.302 2.896 -5.653 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.382 3.325 -5.921 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.875 0.746 -6.423 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.157 0.976 -6.166 1.00 0.00 H new ATOM 0 HG LEU A 107 -5.023 1.845 -3.782 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.882 0.424 -3.007 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.393 1.529 -4.305 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.098 -0.189 -4.664 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.565 -0.422 -2.925 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.692 -1.068 -4.579 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.384 0.065 -4.164 1.00 0.00 H new ATOM 1584 N ARG A 108 -5.234 4.150 -8.233 1.00 0.00 N ATOM 1585 CA ARG A 108 -5.358 4.419 -9.660 1.00 0.00 C ATOM 1586 C ARG A 108 -4.151 3.879 -10.422 1.00 0.00 C ATOM 1587 O ARG A 108 -4.300 3.181 -11.424 1.00 0.00 O ATOM 1588 CB ARG A 108 -5.499 5.922 -9.907 1.00 0.00 C ATOM 1589 CG ARG A 108 -6.501 6.598 -8.984 1.00 0.00 C ATOM 1590 CD ARG A 108 -7.144 7.804 -9.650 1.00 0.00 C ATOM 1591 NE ARG A 108 -8.504 8.034 -9.168 1.00 0.00 N ATOM 1592 CZ ARG A 108 -9.206 9.128 -9.446 1.00 0.00 C ATOM 1593 NH1 ARG A 108 -8.681 10.085 -10.197 1.00 0.00 N ATOM 1594 NH2 ARG A 108 -10.438 9.264 -8.971 1.00 0.00 N ATOM 0 H ARG A 108 -4.973 4.961 -7.672 1.00 0.00 H new ATOM 0 HA ARG A 108 -6.252 3.912 -10.023 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -4.525 6.395 -9.782 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -5.802 6.085 -10.941 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.273 5.884 -8.698 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -6.000 6.911 -8.068 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.537 8.689 -9.460 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -7.162 7.655 -10.730 1.00 0.00 H new ATOM 0 HE ARG A 108 -8.938 7.317 -8.587 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.735 9.984 -10.564 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -9.223 10.923 -10.408 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -10.846 8.529 -8.393 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -10.977 10.103 -9.184 1.00 0.00 H new ATOM 1608 N GLN A 109 -2.957 4.209 -9.939 1.00 0.00 N ATOM 1609 CA GLN A 109 -1.725 3.758 -10.575 1.00 0.00 C ATOM 1610 C GLN A 109 -0.724 3.266 -9.536 1.00 0.00 C ATOM 1611 O GLN A 109 -0.571 3.848 -8.461 1.00 0.00 O ATOM 1612 CB GLN A 109 -1.108 4.890 -11.399 1.00 0.00 C ATOM 1613 CG GLN A 109 -0.728 6.107 -10.572 1.00 0.00 C ATOM 1614 CD GLN A 109 -1.864 7.101 -10.440 1.00 0.00 C ATOM 1615 OE1 GLN A 109 -2.884 6.991 -11.122 1.00 0.00 O ATOM 1616 NE2 GLN A 109 -1.696 8.081 -9.560 1.00 0.00 N ATOM 0 H GLN A 109 -2.817 4.787 -9.110 1.00 0.00 H new ATOM 0 HA GLN A 109 -1.971 2.928 -11.237 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -0.220 4.515 -11.908 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -1.815 5.192 -12.172 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -0.416 5.784 -9.579 1.00 0.00 H new ATOM 0 HG3 GLN A 109 0.129 6.600 -11.031 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -0.835 8.135 -9.015 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -2.428 8.780 -9.429 1.00 0.00 H new ATOM 1625 N PRO A 110 -0.023 2.169 -9.860 1.00 0.00 N ATOM 1626 CA PRO A 110 0.976 1.576 -8.967 1.00 0.00 C ATOM 1627 C PRO A 110 2.219 2.447 -8.827 1.00 0.00 C ATOM 1628 O PRO A 110 2.202 3.629 -9.170 1.00 0.00 O ATOM 1629 CB PRO A 110 1.324 0.253 -9.654 1.00 0.00 C ATOM 1630 CG PRO A 110 1.017 0.482 -11.094 1.00 0.00 C ATOM 1631 CD PRO A 110 -0.153 1.424 -11.123 1.00 0.00 C ATOM 0 HA PRO A 110 0.597 1.458 -7.952 1.00 0.00 H new ATOM 0 HB2 PRO A 110 2.373 -0.004 -9.509 1.00 0.00 H new ATOM 0 HB3 PRO A 110 0.735 -0.570 -9.250 1.00 0.00 H new ATOM 0 HG2 PRO A 110 1.875 0.909 -11.613 1.00 0.00 H new ATOM 0 HG3 PRO A 110 0.776 -0.455 -11.595 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -0.113 2.088 -11.987 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.100 0.887 -11.177 1.00 0.00 H new ATOM 1639 N TYR A 111 3.296 1.855 -8.323 1.00 0.00 N ATOM 1640 CA TYR A 111 4.549 2.579 -8.136 1.00 0.00 C ATOM 1641 C TYR A 111 5.733 1.753 -8.630 1.00 0.00 C ATOM 1642 O TYR A 111 6.031 0.688 -8.089 1.00 0.00 O ATOM 1643 CB TYR A 111 4.741 2.936 -6.661 1.00 0.00 C ATOM 1644 CG TYR A 111 6.078 3.576 -6.362 1.00 0.00 C ATOM 1645 CD1 TYR A 111 6.318 4.907 -6.680 1.00 0.00 C ATOM 1646 CD2 TYR A 111 7.100 2.850 -5.764 1.00 0.00 C ATOM 1647 CE1 TYR A 111 7.538 5.497 -6.409 1.00 0.00 C ATOM 1648 CE2 TYR A 111 8.322 3.432 -5.488 1.00 0.00 C ATOM 1649 CZ TYR A 111 8.536 4.755 -5.813 1.00 0.00 C ATOM 1650 OH TYR A 111 9.753 5.338 -5.542 1.00 0.00 O ATOM 0 H TYR A 111 3.327 0.877 -8.037 1.00 0.00 H new ATOM 0 HA TYR A 111 4.500 3.497 -8.721 1.00 0.00 H new ATOM 0 HB2 TYR A 111 3.946 3.615 -6.354 1.00 0.00 H new ATOM 0 HB3 TYR A 111 4.638 2.032 -6.061 1.00 0.00 H new ATOM 0 HD1 TYR A 111 5.538 5.490 -7.147 1.00 0.00 H new ATOM 0 HD2 TYR A 111 6.937 1.813 -5.511 1.00 0.00 H new ATOM 0 HE1 TYR A 111 7.709 6.533 -6.662 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.105 2.854 -5.020 1.00 0.00 H new ATOM 0 HH TYR A 111 9.621 6.114 -4.958 1.00 0.00 H new ATOM 1660 N TYR A 112 6.406 2.254 -9.660 1.00 0.00 N ATOM 1661 CA TYR A 112 7.558 1.565 -10.228 1.00 0.00 C ATOM 1662 C TYR A 112 8.862 2.181 -9.733 1.00 0.00 C ATOM 1663 O TYR A 112 9.077 3.387 -9.855 1.00 0.00 O ATOM 1664 CB TYR A 112 7.505 1.614 -11.756 1.00 0.00 C ATOM 1665 CG TYR A 112 6.150 1.260 -12.327 1.00 0.00 C ATOM 1666 CD1 TYR A 112 5.560 0.032 -12.055 1.00 0.00 C ATOM 1667 CD2 TYR A 112 5.462 2.152 -13.140 1.00 0.00 C ATOM 1668 CE1 TYR A 112 4.322 -0.297 -12.575 1.00 0.00 C ATOM 1669 CE2 TYR A 112 4.224 1.833 -13.663 1.00 0.00 C ATOM 1670 CZ TYR A 112 3.659 0.607 -13.378 1.00 0.00 C ATOM 1671 OH TYR A 112 2.427 0.284 -13.898 1.00 0.00 O ATOM 0 H TYR A 112 6.173 3.135 -10.118 1.00 0.00 H new ATOM 0 HA TYR A 112 7.523 0.525 -9.902 1.00 0.00 H new ATOM 0 HB2 TYR A 112 7.780 2.615 -12.089 1.00 0.00 H new ATOM 0 HB3 TYR A 112 8.250 0.928 -12.159 1.00 0.00 H new ATOM 0 HD1 TYR A 112 6.077 -0.678 -11.427 1.00 0.00 H new ATOM 0 HD2 TYR A 112 5.903 3.111 -13.367 1.00 0.00 H new ATOM 0 HE1 TYR A 112 3.877 -1.256 -12.354 1.00 0.00 H new ATOM 0 HE2 TYR A 112 3.701 2.539 -14.291 1.00 0.00 H new ATOM 0 HH TYR A 112 2.095 1.030 -14.441 1.00 0.00 H new ATOM 1869 N SER B 9 -2.933 2.086 9.269 1.00 0.00 N ATOM 1870 CA SER B 9 -4.292 2.602 9.389 1.00 0.00 C ATOM 1871 C SER B 9 -5.315 1.477 9.267 1.00 0.00 C ATOM 1872 O SER B 9 -5.388 0.799 8.241 1.00 0.00 O ATOM 1873 CB SER B 9 -4.553 3.663 8.319 1.00 0.00 C ATOM 1874 OG SER B 9 -3.942 4.895 8.661 1.00 0.00 O ATOM 0 HA SER B 9 -4.395 3.056 10.374 1.00 0.00 H new ATOM 0 HB2 SER B 9 -4.169 3.318 7.359 1.00 0.00 H new ATOM 0 HB3 SER B 9 -5.627 3.807 8.200 1.00 0.00 H new ATOM 0 HG SER B 9 -4.123 5.555 7.960 1.00 0.00 H new ATOM 1880 N ASP B 10 -6.102 1.283 10.318 1.00 0.00 N ATOM 1881 CA ASP B 10 -7.121 0.241 10.330 1.00 0.00 C ATOM 1882 C ASP B 10 -8.168 0.492 9.247 1.00 0.00 C ATOM 1883 O ASP B 10 -8.030 1.409 8.437 1.00 0.00 O ATOM 1884 CB ASP B 10 -7.795 0.170 11.701 1.00 0.00 C ATOM 1885 CG ASP B 10 -7.120 -0.824 12.626 1.00 0.00 C ATOM 1886 OD1 ASP B 10 -7.214 -2.040 12.360 1.00 0.00 O ATOM 1887 OD2 ASP B 10 -6.500 -0.385 13.618 1.00 0.00 O ATOM 0 H ASP B 10 -6.054 1.835 11.175 1.00 0.00 H new ATOM 0 HA ASP B 10 -6.632 -0.712 10.125 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -7.781 1.158 12.161 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -8.841 -0.108 11.575 1.00 0.00 H new ATOM 1892 N LEU B 11 -9.212 -0.328 9.241 1.00 0.00 N ATOM 1893 CA LEU B 11 -10.282 -0.195 8.257 1.00 0.00 C ATOM 1894 C LEU B 11 -11.629 0.013 8.944 1.00 0.00 C ATOM 1895 O LEU B 11 -11.733 -0.070 10.166 1.00 0.00 O ATOM 1896 CB LEU B 11 -10.338 -1.436 7.365 1.00 0.00 C ATOM 1897 CG LEU B 11 -9.126 -1.667 6.461 1.00 0.00 C ATOM 1898 CD1 LEU B 11 -9.422 -2.756 5.441 1.00 0.00 C ATOM 1899 CD2 LEU B 11 -8.726 -0.375 5.765 1.00 0.00 C ATOM 0 H LEU B 11 -9.341 -1.091 9.905 1.00 0.00 H new ATOM 0 HA LEU B 11 -10.070 0.678 7.640 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -10.463 -2.312 8.002 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -11.227 -1.368 6.738 1.00 0.00 H new ATOM 0 HG LEU B 11 -8.291 -1.995 7.080 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -8.549 -2.907 4.806 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -9.659 -3.685 5.959 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -10.271 -2.457 4.826 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -7.862 -0.558 5.126 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -9.557 -0.017 5.158 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -8.472 0.377 6.512 1.00 0.00 H new ATOM 1911 N ASN B 12 -12.658 0.283 8.147 1.00 0.00 N ATOM 1912 CA ASN B 12 -13.999 0.501 8.676 1.00 0.00 C ATOM 1913 C ASN B 12 -14.766 -0.815 8.773 1.00 0.00 C ATOM 1914 O ASN B 12 -15.595 -0.998 9.666 1.00 0.00 O ATOM 1915 CB ASN B 12 -14.765 1.488 7.792 1.00 0.00 C ATOM 1916 CG ASN B 12 -15.524 0.796 6.677 1.00 0.00 C ATOM 1917 OD1 ASN B 12 -14.814 0.006 5.880 1.00 0.00 O flip ATOM 1918 ND2 ASN B 12 -16.734 0.970 6.534 1.00 0.00 N flip ATOM 0 H ASN B 12 -12.588 0.356 7.132 1.00 0.00 H new ATOM 0 HA ASN B 12 -13.904 0.920 9.678 1.00 0.00 H new ATOM 0 HB2 ASN B 12 -15.464 2.055 8.407 1.00 0.00 H new ATOM 0 HB3 ASN B 12 -14.066 2.205 7.362 1.00 0.00 H new ATOM 0 HD21 ASN B 12 -17.239 1.586 7.171 1.00 0.00 H new ATOM 0 HD22 ASN B 12 -17.231 0.498 5.779 1.00 0.00 H new