USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 787 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 67 ASN : amide:sc= 0.924 K(o=1.7,f=1.2) USER MOD Set 1.2: A 70 SER OG : rot 180:sc= 0.808 USER MOD Set 2.1: A 34 ASN : amide:sc=-0.00224 K(o=0.068,f=-2) USER MOD Set 2.2: A 37 THR OG1 : rot 58:sc= 0.0699 USER MOD Single : A 1 ARG N :NH3+ -164:sc= 0.852 (180deg=0.36) USER MOD Single : A 5 GLN : amide:sc= 1.02 K(o=1,f=-5.2!) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0.651 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -148:sc= 0.196 (180deg=0.0583) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 MET CE :methyl -166:sc= 0 (180deg=-0.0663) USER MOD Single : A 40 GLN : amide:sc= 1.04 K(o=1,f=0) USER MOD Single : A 43 GLN : amide:sc= -0.279 X(o=-0.28,f=-0.28) USER MOD Single : A 44 LYS NZ :NH3+ -170:sc= 1.28 (180deg=1.22) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 82:sc= 0.4 USER MOD Single : A 52 THR OG1 : rot 72:sc= 1.04 USER MOD Single : A 56 GLN : amide:sc= 0.9 K(o=0.9,f=-5.2!) USER MOD Single : A 58 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00331) USER MOD Single : A 59 HIS : no HD1:sc=-0.00701 X(o=-0.007,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= -0.0644 USER MOD Single : A 71 THR OG1 : rot 84:sc= 0.0795 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 73:sc= 0.109 USER MOD Single : A 77 THR OG1 : rot 76:sc= 1.2 USER MOD Single : A 80 HIS : no HD1:sc= -0.829 K(o=-0.83,f=-1.9) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 30:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -178:sc= 1.99 (180deg=1.93) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -7.356 1.286 -7.076 1.00 0.00 N ATOM 2 CA ARG A 1 -6.070 1.476 -6.349 1.00 0.00 C ATOM 3 C ARG A 1 -5.770 0.365 -5.344 1.00 0.00 C ATOM 4 O ARG A 1 -4.708 -0.250 -5.425 1.00 0.00 O ATOM 5 CB ARG A 1 -5.949 2.881 -5.708 1.00 0.00 C ATOM 6 CG ARG A 1 -4.654 3.120 -4.898 1.00 0.00 C ATOM 7 CD ARG A 1 -3.374 2.959 -5.731 1.00 0.00 C ATOM 8 NE ARG A 1 -2.160 3.055 -4.901 1.00 0.00 N ATOM 9 CZ ARG A 1 -1.417 4.118 -4.676 1.00 0.00 C ATOM 10 NH1 ARG A 1 -1.696 5.293 -5.164 1.00 0.00 N ATOM 11 NH2 ARG A 1 -0.361 3.998 -3.931 1.00 0.00 N ATOM 0 H1 ARG A 1 -7.375 1.902 -7.914 1.00 0.00 H new ATOM 0 H2 ARG A 1 -7.443 0.293 -7.374 1.00 0.00 H new ATOM 0 H3 ARG A 1 -8.149 1.530 -6.449 1.00 0.00 H new ATOM 0 HA ARG A 1 -5.297 1.407 -7.115 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -6.010 3.630 -6.497 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -6.805 3.039 -5.052 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -4.679 4.124 -4.475 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -4.624 2.422 -4.061 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -3.391 1.995 -6.239 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -3.346 3.726 -6.505 1.00 0.00 H new ATOM 0 HE ARG A 1 -1.859 2.193 -4.446 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -2.522 5.419 -5.749 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -1.089 6.087 -4.961 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -0.119 3.091 -3.531 1.00 0.00 H new ATOM 0 HH22 ARG A 1 0.227 4.810 -3.745 1.00 0.00 H new ATOM 27 N ALA A 2 -6.640 0.142 -4.358 1.00 0.00 N ATOM 28 CA ALA A 2 -6.323 -0.727 -3.216 1.00 0.00 C ATOM 29 C ALA A 2 -6.231 -2.227 -3.554 1.00 0.00 C ATOM 30 O ALA A 2 -5.449 -2.945 -2.932 1.00 0.00 O ATOM 31 CB ALA A 2 -7.357 -0.472 -2.114 1.00 0.00 C ATOM 0 H ALA A 2 -7.574 0.551 -4.324 1.00 0.00 H new ATOM 0 HA ALA A 2 -5.319 -0.466 -2.881 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -7.139 -1.108 -1.256 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -7.314 0.574 -1.810 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -8.354 -0.700 -2.491 1.00 0.00 H new ATOM 37 N ASP A 3 -6.979 -2.710 -4.549 1.00 0.00 N ATOM 38 CA ASP A 3 -6.882 -4.108 -4.996 1.00 0.00 C ATOM 39 C ASP A 3 -5.575 -4.378 -5.766 1.00 0.00 C ATOM 40 O ASP A 3 -4.950 -5.419 -5.577 1.00 0.00 O ATOM 41 CB ASP A 3 -8.101 -4.436 -5.867 1.00 0.00 C ATOM 42 CG ASP A 3 -8.145 -5.923 -6.254 1.00 0.00 C ATOM 43 OD1 ASP A 3 -8.400 -6.770 -5.364 1.00 0.00 O ATOM 44 OD2 ASP A 3 -7.962 -6.246 -7.452 1.00 0.00 O ATOM 0 H ASP A 3 -7.662 -2.154 -5.064 1.00 0.00 H new ATOM 0 HA ASP A 3 -6.868 -4.753 -4.118 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -9.012 -4.174 -5.330 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -8.077 -3.826 -6.770 1.00 0.00 H new ATOM 49 N GLU A 4 -5.122 -3.399 -6.560 1.00 0.00 N ATOM 50 CA GLU A 4 -3.820 -3.466 -7.232 1.00 0.00 C ATOM 51 C GLU A 4 -2.710 -3.409 -6.183 1.00 0.00 C ATOM 52 O GLU A 4 -1.776 -4.205 -6.201 1.00 0.00 O ATOM 53 CB GLU A 4 -3.653 -2.305 -8.230 1.00 0.00 C ATOM 54 CG GLU A 4 -4.812 -2.141 -9.230 1.00 0.00 C ATOM 55 CD GLU A 4 -5.834 -1.093 -8.752 1.00 0.00 C ATOM 56 OE1 GLU A 4 -6.578 -1.330 -7.772 1.00 0.00 O ATOM 57 OE2 GLU A 4 -5.876 0.022 -9.320 1.00 0.00 O ATOM 0 H GLU A 4 -5.644 -2.544 -6.753 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.761 -4.402 -7.787 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -3.541 -1.377 -7.670 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.729 -2.454 -8.788 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.415 -1.846 -10.201 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.312 -3.100 -9.368 1.00 0.00 H new ATOM 64 N GLN A 5 -2.861 -2.508 -5.207 1.00 0.00 N ATOM 65 CA GLN A 5 -1.916 -2.389 -4.105 1.00 0.00 C ATOM 66 C GLN A 5 -1.783 -3.709 -3.338 1.00 0.00 C ATOM 67 O GLN A 5 -0.668 -4.181 -3.115 1.00 0.00 O ATOM 68 CB GLN A 5 -2.358 -1.230 -3.188 1.00 0.00 C ATOM 69 CG GLN A 5 -1.263 -0.735 -2.236 1.00 0.00 C ATOM 70 CD GLN A 5 -0.198 0.063 -2.978 1.00 0.00 C ATOM 71 OE1 GLN A 5 -0.394 1.212 -3.358 1.00 0.00 O ATOM 72 NE2 GLN A 5 0.952 -0.515 -3.239 1.00 0.00 N ATOM 0 H GLN A 5 -3.637 -1.848 -5.163 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.925 -2.165 -4.500 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.690 -0.397 -3.807 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -3.217 -1.553 -2.600 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.708 -0.114 -1.458 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.800 -1.587 -1.738 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.125 -1.471 -2.927 1.00 0.00 H new ATOM 0 HE22 GLN A 5 1.672 -0.008 -3.754 1.00 0.00 H new ATOM 81 N ALA A 6 -2.904 -4.358 -3.012 1.00 0.00 N ATOM 82 CA ALA A 6 -2.898 -5.659 -2.352 1.00 0.00 C ATOM 83 C ALA A 6 -2.252 -6.746 -3.227 1.00 0.00 C ATOM 84 O ALA A 6 -1.330 -7.425 -2.767 1.00 0.00 O ATOM 85 CB ALA A 6 -4.334 -6.019 -1.951 1.00 0.00 C ATOM 0 H ALA A 6 -3.838 -3.994 -3.199 1.00 0.00 H new ATOM 0 HA ALA A 6 -2.283 -5.600 -1.454 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.341 -6.990 -1.457 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.722 -5.262 -1.269 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.961 -6.061 -2.842 1.00 0.00 H new ATOM 91 N PHE A 7 -2.658 -6.880 -4.496 1.00 0.00 N ATOM 92 CA PHE A 7 -2.096 -7.905 -5.385 1.00 0.00 C ATOM 93 C PHE A 7 -0.648 -7.621 -5.814 1.00 0.00 C ATOM 94 O PHE A 7 0.066 -8.563 -6.166 1.00 0.00 O ATOM 95 CB PHE A 7 -3.058 -8.242 -6.547 1.00 0.00 C ATOM 96 CG PHE A 7 -2.957 -7.511 -7.883 1.00 0.00 C ATOM 97 CD1 PHE A 7 -1.841 -7.688 -8.729 1.00 0.00 C ATOM 98 CD2 PHE A 7 -4.070 -6.796 -8.373 1.00 0.00 C ATOM 99 CE1 PHE A 7 -1.817 -7.113 -10.013 1.00 0.00 C ATOM 100 CE2 PHE A 7 -4.044 -6.216 -9.656 1.00 0.00 C ATOM 101 CZ PHE A 7 -2.912 -6.367 -10.474 1.00 0.00 C ATOM 0 H PHE A 7 -3.371 -6.294 -4.929 1.00 0.00 H new ATOM 0 HA PHE A 7 -2.010 -8.820 -4.799 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.948 -9.306 -6.755 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -4.072 -8.093 -6.176 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -0.998 -8.270 -8.388 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.951 -6.692 -7.758 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -0.952 -7.246 -10.646 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -4.895 -5.654 -10.011 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.885 -5.911 -11.453 1.00 0.00 H new ATOM 111 N LEU A 8 -0.152 -6.379 -5.692 1.00 0.00 N ATOM 112 CA LEU A 8 1.245 -6.104 -6.046 1.00 0.00 C ATOM 113 C LEU A 8 2.147 -6.107 -4.802 1.00 0.00 C ATOM 114 O LEU A 8 3.343 -6.340 -4.942 1.00 0.00 O ATOM 115 CB LEU A 8 1.330 -4.803 -6.854 1.00 0.00 C ATOM 116 CG LEU A 8 0.644 -4.945 -8.229 1.00 0.00 C ATOM 117 CD1 LEU A 8 0.443 -3.563 -8.847 1.00 0.00 C ATOM 118 CD2 LEU A 8 1.427 -5.835 -9.198 1.00 0.00 C ATOM 0 H LEU A 8 -0.681 -5.572 -5.361 1.00 0.00 H new ATOM 0 HA LEU A 8 1.621 -6.905 -6.683 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.861 -3.994 -6.294 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.375 -4.528 -6.994 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.317 -5.430 -8.058 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.042 -3.666 -9.818 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.183 -2.959 -8.191 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.410 -3.077 -8.974 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.894 -5.896 -10.147 1.00 0.00 H new ATOM 0 HD22 LEU A 8 2.417 -5.409 -9.364 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.528 -6.834 -8.774 1.00 0.00 H new ATOM 130 N VAL A 9 1.598 -5.932 -3.589 1.00 0.00 N ATOM 131 CA VAL A 9 2.342 -6.237 -2.349 1.00 0.00 C ATOM 132 C VAL A 9 2.471 -7.762 -2.211 1.00 0.00 C ATOM 133 O VAL A 9 3.534 -8.267 -1.863 1.00 0.00 O ATOM 134 CB VAL A 9 1.671 -5.597 -1.116 1.00 0.00 C ATOM 135 CG1 VAL A 9 2.210 -6.131 0.218 1.00 0.00 C ATOM 136 CG2 VAL A 9 1.916 -4.082 -1.121 1.00 0.00 C ATOM 0 H VAL A 9 0.651 -5.585 -3.437 1.00 0.00 H new ATOM 0 HA VAL A 9 3.340 -5.803 -2.407 1.00 0.00 H new ATOM 0 HB VAL A 9 0.613 -5.848 -1.191 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.694 -5.638 1.042 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.040 -7.206 0.275 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.279 -5.928 0.286 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.441 -3.634 -0.249 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.988 -3.887 -1.091 1.00 0.00 H new ATOM 0 HG23 VAL A 9 1.494 -3.648 -2.027 1.00 0.00 H new ATOM 146 N ALA A 10 1.410 -8.491 -2.569 1.00 0.00 N ATOM 147 CA ALA A 10 1.462 -9.950 -2.699 1.00 0.00 C ATOM 148 C ALA A 10 2.515 -10.408 -3.734 1.00 0.00 C ATOM 149 O ALA A 10 3.367 -11.243 -3.402 1.00 0.00 O ATOM 150 CB ALA A 10 0.060 -10.477 -3.022 1.00 0.00 C ATOM 0 H ALA A 10 0.496 -8.089 -2.776 1.00 0.00 H new ATOM 0 HA ALA A 10 1.785 -10.376 -1.749 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.093 -11.562 -3.120 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.625 -10.206 -2.219 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -0.287 -10.039 -3.958 1.00 0.00 H new ATOM 156 N LEU A 11 2.539 -9.807 -4.939 1.00 0.00 N ATOM 157 CA LEU A 11 3.638 -10.028 -5.889 1.00 0.00 C ATOM 158 C LEU A 11 4.993 -9.684 -5.284 1.00 0.00 C ATOM 159 O LEU A 11 5.891 -10.513 -5.352 1.00 0.00 O ATOM 160 CB LEU A 11 3.420 -9.283 -7.217 1.00 0.00 C ATOM 161 CG LEU A 11 4.547 -9.581 -8.238 1.00 0.00 C ATOM 162 CD1 LEU A 11 3.968 -9.625 -9.644 1.00 0.00 C ATOM 163 CD2 LEU A 11 5.649 -8.514 -8.240 1.00 0.00 C ATOM 0 H LEU A 11 1.815 -9.171 -5.273 1.00 0.00 H new ATOM 0 HA LEU A 11 3.638 -11.095 -6.113 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.459 -9.572 -7.642 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.375 -8.210 -7.028 1.00 0.00 H new ATOM 0 HG LEU A 11 4.980 -10.536 -7.941 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.764 -9.835 -10.359 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.212 -10.408 -9.702 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.512 -8.663 -9.880 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.410 -8.778 -8.975 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.218 -7.546 -8.495 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.104 -8.459 -7.251 1.00 0.00 H new ATOM 175 N TYR A 12 5.154 -8.505 -4.683 1.00 0.00 N ATOM 176 CA TYR A 12 6.419 -8.060 -4.098 1.00 0.00 C ATOM 177 C TYR A 12 6.929 -9.028 -3.018 1.00 0.00 C ATOM 178 O TYR A 12 8.119 -9.346 -2.996 1.00 0.00 O ATOM 179 CB TYR A 12 6.239 -6.630 -3.568 1.00 0.00 C ATOM 180 CG TYR A 12 7.404 -5.998 -2.827 1.00 0.00 C ATOM 181 CD1 TYR A 12 8.742 -6.285 -3.166 1.00 0.00 C ATOM 182 CD2 TYR A 12 7.131 -5.073 -1.800 1.00 0.00 C ATOM 183 CE1 TYR A 12 9.798 -5.667 -2.471 1.00 0.00 C ATOM 184 CE2 TYR A 12 8.183 -4.444 -1.111 1.00 0.00 C ATOM 185 CZ TYR A 12 9.524 -4.740 -1.441 1.00 0.00 C ATOM 186 OH TYR A 12 10.539 -4.130 -0.770 1.00 0.00 O ATOM 0 H TYR A 12 4.401 -7.824 -4.588 1.00 0.00 H new ATOM 0 HA TYR A 12 7.191 -8.057 -4.867 1.00 0.00 H new ATOM 0 HB2 TYR A 12 5.992 -5.988 -4.414 1.00 0.00 H new ATOM 0 HB3 TYR A 12 5.376 -6.626 -2.902 1.00 0.00 H new ATOM 0 HD1 TYR A 12 8.957 -6.982 -3.962 1.00 0.00 H new ATOM 0 HD2 TYR A 12 6.108 -4.846 -1.540 1.00 0.00 H new ATOM 0 HE1 TYR A 12 10.821 -5.902 -2.726 1.00 0.00 H new ATOM 0 HE2 TYR A 12 7.965 -3.733 -0.328 1.00 0.00 H new ATOM 0 HH TYR A 12 10.167 -3.523 -0.096 1.00 0.00 H new ATOM 196 N LYS A 13 6.037 -9.579 -2.184 1.00 0.00 N ATOM 197 CA LYS A 13 6.368 -10.632 -1.215 1.00 0.00 C ATOM 198 C LYS A 13 6.849 -11.910 -1.902 1.00 0.00 C ATOM 199 O LYS A 13 7.937 -12.385 -1.570 1.00 0.00 O ATOM 200 CB LYS A 13 5.159 -10.874 -0.294 1.00 0.00 C ATOM 201 CG LYS A 13 5.482 -11.851 0.851 1.00 0.00 C ATOM 202 CD LYS A 13 4.273 -12.144 1.754 1.00 0.00 C ATOM 203 CE LYS A 13 3.798 -10.902 2.521 1.00 0.00 C ATOM 204 NZ LYS A 13 2.680 -11.229 3.446 1.00 0.00 N ATOM 0 H LYS A 13 5.055 -9.303 -2.163 1.00 0.00 H new ATOM 0 HA LYS A 13 7.205 -10.300 -0.601 1.00 0.00 H new ATOM 0 HB2 LYS A 13 4.828 -9.924 0.125 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.330 -11.268 -0.882 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.848 -12.787 0.429 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.288 -11.437 1.457 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.454 -12.527 1.146 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.536 -12.928 2.465 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.630 -10.482 3.087 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.475 -10.137 1.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.382 -10.369 3.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.878 -11.607 2.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.996 -11.941 4.135 1.00 0.00 H new ATOM 218 N TYR A 14 6.117 -12.450 -2.885 1.00 0.00 N ATOM 219 CA TYR A 14 6.557 -13.646 -3.620 1.00 0.00 C ATOM 220 C TYR A 14 7.863 -13.417 -4.390 1.00 0.00 C ATOM 221 O TYR A 14 8.742 -14.273 -4.410 1.00 0.00 O ATOM 222 CB TYR A 14 5.415 -14.029 -4.577 1.00 0.00 C ATOM 223 CG TYR A 14 5.740 -15.110 -5.593 1.00 0.00 C ATOM 224 CD1 TYR A 14 5.649 -16.469 -5.233 1.00 0.00 C ATOM 225 CD2 TYR A 14 6.106 -14.752 -6.907 1.00 0.00 C ATOM 226 CE1 TYR A 14 5.911 -17.472 -6.189 1.00 0.00 C ATOM 227 CE2 TYR A 14 6.373 -15.751 -7.862 1.00 0.00 C ATOM 228 CZ TYR A 14 6.267 -17.114 -7.509 1.00 0.00 C ATOM 229 OH TYR A 14 6.523 -18.075 -8.440 1.00 0.00 O ATOM 0 H TYR A 14 5.217 -12.079 -3.191 1.00 0.00 H new ATOM 0 HA TYR A 14 6.771 -14.450 -2.916 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.563 -14.360 -3.983 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.101 -13.134 -5.114 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.378 -16.743 -4.224 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.182 -13.710 -7.181 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.840 -18.514 -5.912 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.659 -15.475 -8.866 1.00 0.00 H new ATOM 0 HH TYR A 14 6.751 -17.651 -9.294 1.00 0.00 H new ATOM 239 N MET A 15 8.017 -12.235 -4.979 1.00 0.00 N ATOM 240 CA MET A 15 9.204 -11.776 -5.687 1.00 0.00 C ATOM 241 C MET A 15 10.436 -11.710 -4.763 1.00 0.00 C ATOM 242 O MET A 15 11.491 -12.249 -5.115 1.00 0.00 O ATOM 243 CB MET A 15 8.836 -10.434 -6.333 1.00 0.00 C ATOM 244 CG MET A 15 10.048 -9.622 -6.738 1.00 0.00 C ATOM 245 SD MET A 15 9.706 -8.283 -7.907 1.00 0.00 S ATOM 246 CE MET A 15 9.647 -9.221 -9.454 1.00 0.00 C ATOM 0 H MET A 15 7.275 -11.535 -4.974 1.00 0.00 H new ATOM 0 HA MET A 15 9.503 -12.480 -6.464 1.00 0.00 H new ATOM 0 HB2 MET A 15 8.218 -10.617 -7.212 1.00 0.00 H new ATOM 0 HB3 MET A 15 8.233 -9.854 -5.634 1.00 0.00 H new ATOM 0 HG2 MET A 15 10.499 -9.197 -5.842 1.00 0.00 H new ATOM 0 HG3 MET A 15 10.786 -10.292 -7.180 1.00 0.00 H new ATOM 0 HE1 MET A 15 9.444 -8.543 -10.283 1.00 0.00 H new ATOM 0 HE2 MET A 15 10.605 -9.716 -9.616 1.00 0.00 H new ATOM 0 HE3 MET A 15 8.857 -9.970 -9.396 1.00 0.00 H new ATOM 256 N LYS A 16 10.303 -11.121 -3.562 1.00 0.00 N ATOM 257 CA LYS A 16 11.379 -11.136 -2.555 1.00 0.00 C ATOM 258 C LYS A 16 11.744 -12.559 -2.127 1.00 0.00 C ATOM 259 O LYS A 16 12.924 -12.890 -2.037 1.00 0.00 O ATOM 260 CB LYS A 16 10.963 -10.242 -1.375 1.00 0.00 C ATOM 261 CG LYS A 16 12.123 -9.982 -0.403 1.00 0.00 C ATOM 262 CD LYS A 16 11.707 -8.986 0.687 1.00 0.00 C ATOM 263 CE LYS A 16 12.881 -8.721 1.637 1.00 0.00 C ATOM 264 NZ LYS A 16 12.515 -7.750 2.702 1.00 0.00 N ATOM 0 H LYS A 16 9.461 -10.628 -3.265 1.00 0.00 H new ATOM 0 HA LYS A 16 12.292 -10.731 -2.991 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.591 -9.291 -1.756 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.140 -10.713 -0.837 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.436 -10.920 0.055 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.981 -9.592 -0.950 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.381 -8.051 0.231 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.859 -9.381 1.246 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.200 -9.658 2.093 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.729 -8.337 1.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.332 -7.595 3.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.234 -6.848 2.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 11.722 -8.128 3.258 1.00 0.00 H new ATOM 278 N GLU A 17 10.737 -13.413 -1.952 1.00 0.00 N ATOM 279 CA GLU A 17 10.955 -14.843 -1.660 1.00 0.00 C ATOM 280 C GLU A 17 11.716 -15.559 -2.802 1.00 0.00 C ATOM 281 O GLU A 17 12.638 -16.337 -2.544 1.00 0.00 O ATOM 282 CB GLU A 17 9.605 -15.507 -1.328 1.00 0.00 C ATOM 283 CG GLU A 17 9.716 -16.761 -0.445 1.00 0.00 C ATOM 284 CD GLU A 17 10.316 -17.989 -1.154 1.00 0.00 C ATOM 285 OE1 GLU A 17 10.004 -18.217 -2.347 1.00 0.00 O ATOM 286 OE2 GLU A 17 11.072 -18.758 -0.513 1.00 0.00 O ATOM 0 H GLU A 17 9.754 -13.145 -2.006 1.00 0.00 H new ATOM 0 HA GLU A 17 11.601 -14.935 -0.787 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.969 -14.778 -0.825 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.107 -15.776 -2.260 1.00 0.00 H new ATOM 0 HG2 GLU A 17 10.328 -16.524 0.425 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.723 -17.019 -0.076 1.00 0.00 H new ATOM 293 N ARG A 18 11.406 -15.205 -4.061 1.00 0.00 N ATOM 294 CA ARG A 18 12.184 -15.628 -5.250 1.00 0.00 C ATOM 295 C ARG A 18 13.598 -15.015 -5.373 1.00 0.00 C ATOM 296 O ARG A 18 14.282 -15.277 -6.364 1.00 0.00 O ATOM 297 CB ARG A 18 11.339 -15.339 -6.516 1.00 0.00 C ATOM 298 CG ARG A 18 10.620 -16.560 -7.112 1.00 0.00 C ATOM 299 CD ARG A 18 9.525 -17.189 -6.234 1.00 0.00 C ATOM 300 NE ARG A 18 10.041 -18.096 -5.191 1.00 0.00 N ATOM 301 CZ ARG A 18 10.486 -19.329 -5.333 1.00 0.00 C ATOM 302 NH1 ARG A 18 10.592 -19.923 -6.490 1.00 0.00 N ATOM 303 NH2 ARG A 18 10.831 -19.990 -4.272 1.00 0.00 N ATOM 0 H ARG A 18 10.606 -14.615 -4.289 1.00 0.00 H new ATOM 0 HA ARG A 18 12.375 -16.695 -5.134 1.00 0.00 H new ATOM 0 HB2 ARG A 18 10.594 -14.582 -6.272 1.00 0.00 H new ATOM 0 HB3 ARG A 18 11.990 -14.912 -7.279 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.173 -16.266 -8.062 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.365 -17.324 -7.333 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.953 -16.393 -5.758 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.834 -17.741 -6.872 1.00 0.00 H new ATOM 0 HE ARG A 18 10.055 -17.723 -4.242 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.324 -19.431 -7.342 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.943 -20.879 -6.542 1.00 0.00 H new ATOM 0 HH21 ARG A 18 10.755 -19.555 -3.353 1.00 0.00 H new ATOM 0 HH22 ARG A 18 11.178 -20.945 -4.357 1.00 0.00 H new ATOM 317 N LYS A 19 14.061 -14.237 -4.383 1.00 0.00 N ATOM 318 CA LYS A 19 15.389 -13.599 -4.271 1.00 0.00 C ATOM 319 C LYS A 19 15.559 -12.397 -5.211 1.00 0.00 C ATOM 320 O LYS A 19 16.658 -12.124 -5.698 1.00 0.00 O ATOM 321 CB LYS A 19 16.559 -14.614 -4.292 1.00 0.00 C ATOM 322 CG LYS A 19 16.525 -15.651 -3.151 1.00 0.00 C ATOM 323 CD LYS A 19 15.914 -17.003 -3.556 1.00 0.00 C ATOM 324 CE LYS A 19 15.789 -17.972 -2.372 1.00 0.00 C ATOM 325 NZ LYS A 19 17.109 -18.437 -1.870 1.00 0.00 N ATOM 0 H LYS A 19 13.475 -14.019 -3.577 1.00 0.00 H new ATOM 0 HA LYS A 19 15.436 -13.166 -3.272 1.00 0.00 H new ATOM 0 HB2 LYS A 19 16.549 -15.141 -5.246 1.00 0.00 H new ATOM 0 HB3 LYS A 19 17.500 -14.066 -4.240 1.00 0.00 H new ATOM 0 HG2 LYS A 19 17.541 -15.815 -2.792 1.00 0.00 H new ATOM 0 HG3 LYS A 19 15.955 -15.241 -2.317 1.00 0.00 H new ATOM 0 HD2 LYS A 19 14.928 -16.837 -3.990 1.00 0.00 H new ATOM 0 HD3 LYS A 19 16.531 -17.459 -4.330 1.00 0.00 H new ATOM 0 HE2 LYS A 19 15.249 -17.482 -1.562 1.00 0.00 H new ATOM 0 HE3 LYS A 19 15.195 -18.835 -2.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 16.967 -19.088 -1.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 17.616 -18.930 -2.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 17.668 -17.619 -1.554 1.00 0.00 H new ATOM 339 N THR A 20 14.465 -11.656 -5.417 1.00 0.00 N ATOM 340 CA THR A 20 14.497 -10.358 -6.100 1.00 0.00 C ATOM 341 C THR A 20 13.877 -9.285 -5.191 1.00 0.00 C ATOM 342 O THR A 20 12.676 -9.334 -4.939 1.00 0.00 O ATOM 343 CB THR A 20 13.771 -10.447 -7.452 1.00 0.00 C ATOM 344 OG1 THR A 20 14.632 -11.074 -8.380 1.00 0.00 O ATOM 345 CG2 THR A 20 13.388 -9.086 -8.038 1.00 0.00 C ATOM 0 H THR A 20 13.533 -11.939 -5.115 1.00 0.00 H new ATOM 0 HA THR A 20 15.530 -10.077 -6.304 1.00 0.00 H new ATOM 0 HB THR A 20 12.851 -11.004 -7.275 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.184 -11.141 -9.249 1.00 0.00 H new ATOM 0 HG21 THR A 20 12.880 -9.230 -8.992 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.723 -8.567 -7.348 1.00 0.00 H new ATOM 0 HG23 THR A 20 14.288 -8.490 -8.193 1.00 0.00 H new ATOM 353 N PRO A 21 14.637 -8.291 -4.692 1.00 0.00 N ATOM 354 CA PRO A 21 14.142 -7.289 -3.736 1.00 0.00 C ATOM 355 C PRO A 21 13.319 -6.149 -4.384 1.00 0.00 C ATOM 356 O PRO A 21 13.191 -5.089 -3.775 1.00 0.00 O ATOM 357 CB PRO A 21 15.419 -6.775 -3.052 1.00 0.00 C ATOM 358 CG PRO A 21 16.448 -6.819 -4.178 1.00 0.00 C ATOM 359 CD PRO A 21 16.066 -8.100 -4.919 1.00 0.00 C ATOM 0 HA PRO A 21 13.429 -7.726 -3.037 1.00 0.00 H new ATOM 0 HB2 PRO A 21 15.290 -5.766 -2.661 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.711 -7.407 -2.213 1.00 0.00 H new ATOM 0 HG2 PRO A 21 16.384 -5.942 -4.822 1.00 0.00 H new ATOM 0 HG3 PRO A 21 17.468 -6.859 -3.795 1.00 0.00 H new ATOM 0 HD2 PRO A 21 16.283 -8.013 -5.984 1.00 0.00 H new ATOM 0 HD3 PRO A 21 16.637 -8.950 -4.546 1.00 0.00 H new ATOM 367 N ILE A 22 12.804 -6.358 -5.608 1.00 0.00 N ATOM 368 CA ILE A 22 12.197 -5.299 -6.463 1.00 0.00 C ATOM 369 C ILE A 22 13.107 -4.123 -6.863 1.00 0.00 C ATOM 370 O ILE A 22 13.036 -3.676 -8.005 1.00 0.00 O ATOM 371 CB ILE A 22 10.760 -4.908 -6.003 1.00 0.00 C ATOM 372 CG1 ILE A 22 9.772 -4.789 -7.190 1.00 0.00 C ATOM 373 CG2 ILE A 22 10.684 -3.608 -5.176 1.00 0.00 C ATOM 374 CD1 ILE A 22 8.311 -5.060 -6.782 1.00 0.00 C ATOM 0 H ILE A 22 12.793 -7.279 -6.047 1.00 0.00 H new ATOM 0 HA ILE A 22 12.076 -5.783 -7.432 1.00 0.00 H new ATOM 0 HB ILE A 22 10.470 -5.734 -5.354 1.00 0.00 H new ATOM 0 HG12 ILE A 22 9.845 -3.789 -7.618 1.00 0.00 H new ATOM 0 HG13 ILE A 22 10.063 -5.492 -7.970 1.00 0.00 H new ATOM 0 HG21 ILE A 22 9.648 -3.413 -4.899 1.00 0.00 H new ATOM 0 HG22 ILE A 22 11.287 -3.715 -4.274 1.00 0.00 H new ATOM 0 HG23 ILE A 22 11.063 -2.776 -5.770 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.665 -4.962 -7.655 1.00 0.00 H new ATOM 0 HD12 ILE A 22 8.227 -6.070 -6.380 1.00 0.00 H new ATOM 0 HD13 ILE A 22 8.006 -4.340 -6.022 1.00 0.00 H new ATOM 386 N GLU A 23 14.037 -3.685 -6.011 1.00 0.00 N ATOM 387 CA GLU A 23 14.981 -2.605 -6.357 1.00 0.00 C ATOM 388 C GLU A 23 15.940 -2.902 -7.528 1.00 0.00 C ATOM 389 O GLU A 23 16.509 -1.964 -8.092 1.00 0.00 O ATOM 390 CB GLU A 23 15.801 -2.229 -5.109 1.00 0.00 C ATOM 391 CG GLU A 23 14.934 -1.674 -3.969 1.00 0.00 C ATOM 392 CD GLU A 23 15.809 -1.203 -2.790 1.00 0.00 C ATOM 393 OE1 GLU A 23 16.212 -2.045 -1.950 1.00 0.00 O ATOM 394 OE2 GLU A 23 16.098 0.015 -2.691 1.00 0.00 O ATOM 0 H GLU A 23 14.161 -4.060 -5.071 1.00 0.00 H new ATOM 0 HA GLU A 23 14.358 -1.781 -6.703 1.00 0.00 H new ATOM 0 HB2 GLU A 23 16.338 -3.109 -4.755 1.00 0.00 H new ATOM 0 HB3 GLU A 23 16.551 -1.487 -5.383 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.333 -0.842 -4.336 1.00 0.00 H new ATOM 0 HG3 GLU A 23 14.240 -2.442 -3.628 1.00 0.00 H new ATOM 401 N ARG A 24 16.098 -4.172 -7.949 1.00 0.00 N ATOM 402 CA ARG A 24 16.805 -4.528 -9.203 1.00 0.00 C ATOM 403 C ARG A 24 16.106 -3.995 -10.473 1.00 0.00 C ATOM 404 O ARG A 24 16.670 -4.050 -11.564 1.00 0.00 O ATOM 405 CB ARG A 24 17.123 -6.038 -9.256 1.00 0.00 C ATOM 406 CG ARG A 24 15.963 -6.928 -9.735 1.00 0.00 C ATOM 407 CD ARG A 24 16.246 -8.430 -9.545 1.00 0.00 C ATOM 408 NE ARG A 24 17.435 -8.901 -10.282 1.00 0.00 N ATOM 409 CZ ARG A 24 17.847 -10.155 -10.356 1.00 0.00 C ATOM 410 NH1 ARG A 24 17.196 -11.133 -9.792 1.00 0.00 N ATOM 411 NH2 ARG A 24 18.934 -10.453 -11.006 1.00 0.00 N ATOM 0 H ARG A 24 15.743 -4.979 -7.435 1.00 0.00 H new ATOM 0 HA ARG A 24 17.763 -4.008 -9.188 1.00 0.00 H new ATOM 0 HB2 ARG A 24 17.976 -6.192 -9.917 1.00 0.00 H new ATOM 0 HB3 ARG A 24 17.426 -6.366 -8.262 1.00 0.00 H new ATOM 0 HG2 ARG A 24 15.058 -6.662 -9.190 1.00 0.00 H new ATOM 0 HG3 ARG A 24 15.770 -6.730 -10.789 1.00 0.00 H new ATOM 0 HD2 ARG A 24 16.381 -8.635 -8.483 1.00 0.00 H new ATOM 0 HD3 ARG A 24 15.376 -9.000 -9.871 1.00 0.00 H new ATOM 0 HE ARG A 24 17.986 -8.199 -10.776 1.00 0.00 H new ATOM 0 HH11 ARG A 24 16.339 -10.943 -9.273 1.00 0.00 H new ATOM 0 HH12 ARG A 24 17.544 -12.089 -9.870 1.00 0.00 H new ATOM 0 HH21 ARG A 24 19.473 -9.717 -11.462 1.00 0.00 H new ATOM 0 HH22 ARG A 24 19.247 -11.422 -11.059 1.00 0.00 H new ATOM 425 N ILE A 25 14.899 -3.447 -10.304 1.00 0.00 N ATOM 426 CA ILE A 25 14.102 -2.660 -11.250 1.00 0.00 C ATOM 427 C ILE A 25 14.066 -1.234 -10.639 1.00 0.00 C ATOM 428 O ILE A 25 13.147 -0.906 -9.883 1.00 0.00 O ATOM 429 CB ILE A 25 12.704 -3.307 -11.432 1.00 0.00 C ATOM 430 CG1 ILE A 25 12.800 -4.756 -11.972 1.00 0.00 C ATOM 431 CG2 ILE A 25 11.859 -2.449 -12.384 1.00 0.00 C ATOM 432 CD1 ILE A 25 11.511 -5.569 -11.789 1.00 0.00 C ATOM 0 H ILE A 25 14.408 -3.554 -9.416 1.00 0.00 H new ATOM 0 HA ILE A 25 14.518 -2.622 -12.257 1.00 0.00 H new ATOM 0 HB ILE A 25 12.229 -3.354 -10.452 1.00 0.00 H new ATOM 0 HG12 ILE A 25 13.051 -4.723 -13.032 1.00 0.00 H new ATOM 0 HG13 ILE A 25 13.618 -5.269 -11.466 1.00 0.00 H new ATOM 0 HG21 ILE A 25 10.877 -2.905 -12.511 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.743 -1.449 -11.966 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.356 -2.383 -13.352 1.00 0.00 H new ATOM 0 HD11 ILE A 25 11.654 -6.572 -12.190 1.00 0.00 H new ATOM 0 HD12 ILE A 25 11.269 -5.634 -10.728 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.694 -5.079 -12.318 1.00 0.00 H new ATOM 444 N PRO A 26 15.103 -0.400 -10.867 1.00 0.00 N ATOM 445 CA PRO A 26 15.312 0.835 -10.103 1.00 0.00 C ATOM 446 C PRO A 26 14.354 1.995 -10.416 1.00 0.00 C ATOM 447 O PRO A 26 13.935 2.689 -9.486 1.00 0.00 O ATOM 448 CB PRO A 26 16.769 1.225 -10.375 1.00 0.00 C ATOM 449 CG PRO A 26 17.041 0.659 -11.767 1.00 0.00 C ATOM 450 CD PRO A 26 16.230 -0.634 -11.762 1.00 0.00 C ATOM 0 HA PRO A 26 15.097 0.640 -9.052 1.00 0.00 H new ATOM 0 HB2 PRO A 26 16.906 2.306 -10.348 1.00 0.00 H new ATOM 0 HB3 PRO A 26 17.443 0.800 -9.631 1.00 0.00 H new ATOM 0 HG2 PRO A 26 16.714 1.340 -12.553 1.00 0.00 H new ATOM 0 HG3 PRO A 26 18.103 0.472 -11.929 1.00 0.00 H new ATOM 0 HD2 PRO A 26 15.886 -0.882 -12.766 1.00 0.00 H new ATOM 0 HD3 PRO A 26 16.835 -1.472 -11.416 1.00 0.00 H new ATOM 458 N TYR A 27 13.998 2.216 -11.690 1.00 0.00 N ATOM 459 CA TYR A 27 13.222 3.398 -12.103 1.00 0.00 C ATOM 460 C TYR A 27 12.331 3.122 -13.322 1.00 0.00 C ATOM 461 O TYR A 27 12.644 2.287 -14.172 1.00 0.00 O ATOM 462 CB TYR A 27 14.172 4.559 -12.465 1.00 0.00 C ATOM 463 CG TYR A 27 15.030 5.100 -11.334 1.00 0.00 C ATOM 464 CD1 TYR A 27 14.433 5.832 -10.288 1.00 0.00 C ATOM 465 CD2 TYR A 27 16.423 4.891 -11.338 1.00 0.00 C ATOM 466 CE1 TYR A 27 15.223 6.345 -9.240 1.00 0.00 C ATOM 467 CE2 TYR A 27 17.217 5.400 -10.292 1.00 0.00 C ATOM 468 CZ TYR A 27 16.619 6.127 -9.239 1.00 0.00 C ATOM 469 OH TYR A 27 17.395 6.615 -8.231 1.00 0.00 O ATOM 0 H TYR A 27 14.236 1.588 -12.458 1.00 0.00 H new ATOM 0 HA TYR A 27 12.586 3.658 -11.257 1.00 0.00 H new ATOM 0 HB2 TYR A 27 14.832 4.225 -13.266 1.00 0.00 H new ATOM 0 HB3 TYR A 27 13.575 5.379 -12.865 1.00 0.00 H new ATOM 0 HD1 TYR A 27 13.366 6.000 -10.290 1.00 0.00 H new ATOM 0 HD2 TYR A 27 16.883 4.339 -12.145 1.00 0.00 H new ATOM 0 HE1 TYR A 27 14.762 6.904 -8.439 1.00 0.00 H new ATOM 0 HE2 TYR A 27 18.284 5.234 -10.295 1.00 0.00 H new ATOM 0 HH TYR A 27 18.331 6.371 -8.391 1.00 0.00 H new ATOM 479 N LEU A 28 11.262 3.914 -13.447 1.00 0.00 N ATOM 480 CA LEU A 28 10.368 4.001 -14.608 1.00 0.00 C ATOM 481 C LEU A 28 10.785 5.198 -15.495 1.00 0.00 C ATOM 482 O LEU A 28 9.992 6.080 -15.818 1.00 0.00 O ATOM 483 CB LEU A 28 8.917 4.033 -14.081 1.00 0.00 C ATOM 484 CG LEU A 28 7.792 3.907 -15.130 1.00 0.00 C ATOM 485 CD1 LEU A 28 7.945 2.680 -16.026 1.00 0.00 C ATOM 486 CD2 LEU A 28 6.446 3.800 -14.406 1.00 0.00 C ATOM 0 H LEU A 28 10.980 4.548 -12.699 1.00 0.00 H new ATOM 0 HA LEU A 28 10.440 3.135 -15.266 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.800 3.225 -13.359 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.773 4.968 -13.539 1.00 0.00 H new ATOM 0 HG LEU A 28 7.847 4.793 -15.763 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.124 2.648 -16.742 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.892 2.737 -16.562 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.928 1.778 -15.414 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.645 3.711 -15.139 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.448 2.921 -13.762 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.286 4.693 -13.801 1.00 0.00 H new ATOM 498 N GLY A 29 12.090 5.280 -15.788 1.00 0.00 N ATOM 499 CA GLY A 29 12.660 6.344 -16.627 1.00 0.00 C ATOM 500 C GLY A 29 13.098 7.573 -15.829 1.00 0.00 C ATOM 501 O GLY A 29 14.229 8.038 -15.980 1.00 0.00 O ATOM 0 H GLY A 29 12.781 4.610 -15.450 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.517 5.948 -17.171 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.922 6.646 -17.370 1.00 0.00 H new ATOM 505 N PHE A 30 12.218 8.068 -14.952 1.00 0.00 N ATOM 506 CA PHE A 30 12.432 9.302 -14.183 1.00 0.00 C ATOM 507 C PHE A 30 11.762 9.328 -12.789 1.00 0.00 C ATOM 508 O PHE A 30 11.803 10.355 -12.104 1.00 0.00 O ATOM 509 CB PHE A 30 12.001 10.507 -15.047 1.00 0.00 C ATOM 510 CG PHE A 30 10.503 10.709 -15.224 1.00 0.00 C ATOM 511 CD1 PHE A 30 9.723 9.775 -15.935 1.00 0.00 C ATOM 512 CD2 PHE A 30 9.886 11.865 -14.704 1.00 0.00 C ATOM 513 CE1 PHE A 30 8.343 9.978 -16.099 1.00 0.00 C ATOM 514 CE2 PHE A 30 8.512 12.089 -14.901 1.00 0.00 C ATOM 515 CZ PHE A 30 7.739 11.145 -15.598 1.00 0.00 C ATOM 0 H PHE A 30 11.325 7.618 -14.753 1.00 0.00 H new ATOM 0 HA PHE A 30 13.497 9.355 -13.958 1.00 0.00 H new ATOM 0 HB2 PHE A 30 12.418 11.412 -14.605 1.00 0.00 H new ATOM 0 HB3 PHE A 30 12.450 10.398 -16.034 1.00 0.00 H new ATOM 0 HD1 PHE A 30 10.190 8.897 -16.357 1.00 0.00 H new ATOM 0 HD2 PHE A 30 10.473 12.583 -14.151 1.00 0.00 H new ATOM 0 HE1 PHE A 30 7.745 9.238 -16.610 1.00 0.00 H new ATOM 0 HE2 PHE A 30 8.051 12.987 -14.517 1.00 0.00 H new ATOM 0 HZ PHE A 30 6.683 11.315 -15.749 1.00 0.00 H new ATOM 525 N LYS A 31 11.160 8.205 -12.363 1.00 0.00 N ATOM 526 CA LYS A 31 10.497 8.095 -11.045 1.00 0.00 C ATOM 527 C LYS A 31 10.465 6.645 -10.539 1.00 0.00 C ATOM 528 O LYS A 31 10.859 5.726 -11.262 1.00 0.00 O ATOM 529 CB LYS A 31 9.070 8.686 -11.118 1.00 0.00 C ATOM 530 CG LYS A 31 8.165 8.035 -12.185 1.00 0.00 C ATOM 531 CD LYS A 31 6.666 8.178 -11.864 1.00 0.00 C ATOM 532 CE LYS A 31 6.196 9.612 -11.569 1.00 0.00 C ATOM 533 NZ LYS A 31 6.281 10.495 -12.761 1.00 0.00 N ATOM 0 H LYS A 31 11.117 7.350 -12.917 1.00 0.00 H new ATOM 0 HA LYS A 31 11.082 8.670 -10.327 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.595 8.580 -10.143 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.142 9.754 -11.323 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.369 8.490 -13.154 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.414 6.977 -12.270 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.092 7.790 -12.705 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.433 7.552 -11.003 1.00 0.00 H new ATOM 0 HE2 LYS A 31 5.166 9.587 -11.212 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.802 10.032 -10.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 6.491 11.468 -12.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.037 10.157 -13.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.374 10.479 -13.270 1.00 0.00 H new ATOM 547 N GLN A 32 9.975 6.441 -9.315 1.00 0.00 N ATOM 548 CA GLN A 32 9.660 5.122 -8.746 1.00 0.00 C ATOM 549 C GLN A 32 8.662 4.342 -9.633 1.00 0.00 C ATOM 550 O GLN A 32 7.863 4.939 -10.358 1.00 0.00 O ATOM 551 CB GLN A 32 9.107 5.338 -7.322 1.00 0.00 C ATOM 552 CG GLN A 32 8.941 4.048 -6.502 1.00 0.00 C ATOM 553 CD GLN A 32 8.373 4.334 -5.114 1.00 0.00 C ATOM 554 OE1 GLN A 32 9.070 4.744 -4.193 1.00 0.00 O ATOM 555 NE2 GLN A 32 7.086 4.134 -4.907 1.00 0.00 N ATOM 0 H GLN A 32 9.780 7.208 -8.671 1.00 0.00 H new ATOM 0 HA GLN A 32 10.563 4.513 -8.703 1.00 0.00 H new ATOM 0 HB2 GLN A 32 9.774 6.012 -6.785 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.140 5.836 -7.393 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.280 3.362 -7.032 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.906 3.551 -6.406 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.495 3.793 -5.665 1.00 0.00 H new ATOM 0 HE22 GLN A 32 6.682 4.320 -3.989 1.00 0.00 H new ATOM 564 N ILE A 33 8.698 3.006 -9.558 1.00 0.00 N ATOM 565 CA ILE A 33 7.802 2.134 -10.338 1.00 0.00 C ATOM 566 C ILE A 33 6.320 2.333 -9.952 1.00 0.00 C ATOM 567 O ILE A 33 5.840 1.786 -8.958 1.00 0.00 O ATOM 568 CB ILE A 33 8.245 0.654 -10.186 1.00 0.00 C ATOM 569 CG1 ILE A 33 9.770 0.428 -10.338 1.00 0.00 C ATOM 570 CG2 ILE A 33 7.505 -0.243 -11.191 1.00 0.00 C ATOM 571 CD1 ILE A 33 10.388 0.985 -11.627 1.00 0.00 C ATOM 0 H ILE A 33 9.346 2.497 -8.957 1.00 0.00 H new ATOM 0 HA ILE A 33 7.881 2.413 -11.389 1.00 0.00 H new ATOM 0 HB ILE A 33 7.983 0.384 -9.163 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.275 0.883 -9.486 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.969 -0.643 -10.292 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.831 -1.275 -11.066 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.431 -0.178 -11.015 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.727 0.087 -12.206 1.00 0.00 H new ATOM 0 HD11 ILE A 33 11.458 0.776 -11.638 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.917 0.513 -12.490 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.229 2.062 -11.671 1.00 0.00 H new ATOM 583 N ASN A 34 5.581 3.115 -10.747 1.00 0.00 N ATOM 584 CA ASN A 34 4.146 3.405 -10.587 1.00 0.00 C ATOM 585 C ASN A 34 3.266 2.230 -11.089 1.00 0.00 C ATOM 586 O ASN A 34 2.427 2.366 -11.982 1.00 0.00 O ATOM 587 CB ASN A 34 3.864 4.753 -11.278 1.00 0.00 C ATOM 588 CG ASN A 34 2.530 5.362 -10.878 1.00 0.00 C ATOM 589 OD1 ASN A 34 1.910 4.995 -9.891 1.00 0.00 O ATOM 590 ND2 ASN A 34 2.053 6.331 -11.623 1.00 0.00 N ATOM 0 H ASN A 34 5.983 3.586 -11.558 1.00 0.00 H new ATOM 0 HA ASN A 34 3.878 3.500 -9.535 1.00 0.00 H new ATOM 0 HB2 ASN A 34 4.663 5.453 -11.035 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.882 4.611 -12.359 1.00 0.00 H new ATOM 0 HD21 ASN A 34 1.168 6.775 -11.377 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.567 6.641 -12.448 1.00 0.00 H new ATOM 597 N LEU A 35 3.526 1.041 -10.545 1.00 0.00 N ATOM 598 CA LEU A 35 3.058 -0.274 -10.999 1.00 0.00 C ATOM 599 C LEU A 35 1.531 -0.436 -11.190 1.00 0.00 C ATOM 600 O LEU A 35 1.102 -0.973 -12.207 1.00 0.00 O ATOM 601 CB LEU A 35 3.643 -1.309 -10.019 1.00 0.00 C ATOM 602 CG LEU A 35 4.150 -2.621 -10.647 1.00 0.00 C ATOM 603 CD1 LEU A 35 4.546 -3.543 -9.491 1.00 0.00 C ATOM 604 CD2 LEU A 35 3.151 -3.334 -11.552 1.00 0.00 C ATOM 0 H LEU A 35 4.112 0.963 -9.714 1.00 0.00 H new ATOM 0 HA LEU A 35 3.415 -0.422 -12.018 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.469 -0.844 -9.481 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.879 -1.554 -9.281 1.00 0.00 H new ATOM 0 HG LEU A 35 4.984 -2.370 -11.302 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.913 -4.489 -9.889 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.330 -3.070 -8.900 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.677 -3.728 -8.859 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.602 -4.245 -11.945 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.259 -3.588 -10.980 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.878 -2.679 -12.379 1.00 0.00 H new ATOM 616 N TRP A 36 0.685 0.051 -10.277 1.00 0.00 N ATOM 617 CA TRP A 36 -0.788 0.011 -10.433 1.00 0.00 C ATOM 618 C TRP A 36 -1.276 0.827 -11.660 1.00 0.00 C ATOM 619 O TRP A 36 -2.186 0.415 -12.393 1.00 0.00 O ATOM 620 CB TRP A 36 -1.447 0.518 -9.140 1.00 0.00 C ATOM 621 CG TRP A 36 -1.336 1.991 -8.878 1.00 0.00 C ATOM 622 CD1 TRP A 36 -0.202 2.663 -8.578 1.00 0.00 C ATOM 623 CD2 TRP A 36 -2.390 3.003 -8.939 1.00 0.00 C ATOM 624 NE1 TRP A 36 -0.469 4.014 -8.502 1.00 0.00 N ATOM 625 CE2 TRP A 36 -1.805 4.282 -8.695 1.00 0.00 C ATOM 626 CE3 TRP A 36 -3.785 2.969 -9.165 1.00 0.00 C ATOM 627 CZ2 TRP A 36 -2.558 5.466 -8.691 1.00 0.00 C ATOM 628 CZ3 TRP A 36 -4.553 4.151 -9.159 1.00 0.00 C ATOM 629 CH2 TRP A 36 -3.942 5.397 -8.925 1.00 0.00 C ATOM 0 H TRP A 36 0.993 0.485 -9.407 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.082 -1.023 -10.616 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -2.504 0.253 -9.166 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.005 -0.015 -8.298 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.766 2.211 -8.422 1.00 0.00 H new ATOM 0 HE1 TRP A 36 0.238 4.728 -8.324 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.271 2.021 -9.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -2.080 6.418 -8.510 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -5.617 4.100 -9.335 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -4.536 6.299 -8.925 1.00 0.00 H new ATOM 640 N THR A 37 -0.637 1.976 -11.921 1.00 0.00 N ATOM 641 CA THR A 37 -0.884 2.813 -13.110 1.00 0.00 C ATOM 642 C THR A 37 -0.354 2.136 -14.372 1.00 0.00 C ATOM 643 O THR A 37 -1.047 2.097 -15.384 1.00 0.00 O ATOM 644 CB THR A 37 -0.263 4.213 -12.966 1.00 0.00 C ATOM 645 OG1 THR A 37 -0.832 4.881 -11.859 1.00 0.00 O ATOM 646 CG2 THR A 37 -0.520 5.114 -14.175 1.00 0.00 C ATOM 0 H THR A 37 0.079 2.359 -11.303 1.00 0.00 H new ATOM 0 HA THR A 37 -1.964 2.932 -13.196 1.00 0.00 H new ATOM 0 HB THR A 37 0.808 4.046 -12.856 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.692 4.349 -11.048 1.00 0.00 H new ATOM 0 HG21 THR A 37 -0.056 6.086 -14.009 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.094 4.656 -15.067 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.594 5.243 -14.311 1.00 0.00 H new ATOM 654 N MET A 38 0.834 1.527 -14.312 1.00 0.00 N ATOM 655 CA MET A 38 1.383 0.707 -15.397 1.00 0.00 C ATOM 656 C MET A 38 0.469 -0.478 -15.744 1.00 0.00 C ATOM 657 O MET A 38 0.249 -0.744 -16.924 1.00 0.00 O ATOM 658 CB MET A 38 2.781 0.227 -14.977 1.00 0.00 C ATOM 659 CG MET A 38 3.515 -0.637 -16.011 1.00 0.00 C ATOM 660 SD MET A 38 4.808 -1.686 -15.285 1.00 0.00 S ATOM 661 CE MET A 38 5.904 -0.430 -14.568 1.00 0.00 C ATOM 0 H MET A 38 1.448 1.590 -13.500 1.00 0.00 H new ATOM 0 HA MET A 38 1.451 1.310 -16.302 1.00 0.00 H new ATOM 0 HB2 MET A 38 3.395 1.100 -14.755 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.689 -0.342 -14.052 1.00 0.00 H new ATOM 0 HG2 MET A 38 2.791 -1.269 -16.526 1.00 0.00 H new ATOM 0 HG3 MET A 38 3.963 0.012 -16.763 1.00 0.00 H new ATOM 0 HE1 MET A 38 6.859 -0.886 -14.307 1.00 0.00 H new ATOM 0 HE2 MET A 38 6.069 0.366 -15.294 1.00 0.00 H new ATOM 0 HE3 MET A 38 5.444 -0.014 -13.672 1.00 0.00 H new ATOM 671 N PHE A 39 -0.112 -1.148 -14.743 1.00 0.00 N ATOM 672 CA PHE A 39 -1.093 -2.210 -14.967 1.00 0.00 C ATOM 673 C PHE A 39 -2.344 -1.708 -15.687 1.00 0.00 C ATOM 674 O PHE A 39 -2.655 -2.209 -16.767 1.00 0.00 O ATOM 675 CB PHE A 39 -1.450 -2.840 -13.615 1.00 0.00 C ATOM 676 CG PHE A 39 -2.592 -3.832 -13.695 1.00 0.00 C ATOM 677 CD1 PHE A 39 -2.466 -4.997 -14.477 1.00 0.00 C ATOM 678 CD2 PHE A 39 -3.807 -3.557 -13.035 1.00 0.00 C ATOM 679 CE1 PHE A 39 -3.544 -5.890 -14.586 1.00 0.00 C ATOM 680 CE2 PHE A 39 -4.888 -4.446 -13.155 1.00 0.00 C ATOM 681 CZ PHE A 39 -4.752 -5.609 -13.931 1.00 0.00 C ATOM 0 H PHE A 39 0.085 -0.969 -13.758 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.650 -2.959 -15.623 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.570 -3.342 -13.213 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.714 -2.049 -12.913 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -1.540 -5.203 -14.993 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.907 -2.663 -12.437 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.443 -6.791 -15.173 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.821 -4.236 -12.652 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.584 -6.292 -14.024 1.00 0.00 H new ATOM 691 N GLN A 40 -3.050 -0.705 -15.150 1.00 0.00 N ATOM 692 CA GLN A 40 -4.273 -0.232 -15.822 1.00 0.00 C ATOM 693 C GLN A 40 -3.993 0.437 -17.182 1.00 0.00 C ATOM 694 O GLN A 40 -4.836 0.357 -18.078 1.00 0.00 O ATOM 695 CB GLN A 40 -5.101 0.653 -14.877 1.00 0.00 C ATOM 696 CG GLN A 40 -4.463 2.027 -14.626 1.00 0.00 C ATOM 697 CD GLN A 40 -4.993 2.689 -13.360 1.00 0.00 C ATOM 698 OE1 GLN A 40 -5.873 3.540 -13.384 1.00 0.00 O ATOM 699 NE2 GLN A 40 -4.464 2.326 -12.213 1.00 0.00 N ATOM 0 H GLN A 40 -2.811 -0.219 -14.286 1.00 0.00 H new ATOM 0 HA GLN A 40 -4.875 -1.109 -16.062 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -6.096 0.793 -15.299 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -5.228 0.138 -13.925 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.382 1.914 -14.549 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.656 2.676 -15.480 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.731 1.617 -12.191 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -4.787 2.753 -11.345 1.00 0.00 H new ATOM 708 N ALA A 41 -2.807 1.027 -17.385 1.00 0.00 N ATOM 709 CA ALA A 41 -2.373 1.481 -18.702 1.00 0.00 C ATOM 710 C ALA A 41 -2.180 0.291 -19.650 1.00 0.00 C ATOM 711 O ALA A 41 -2.787 0.267 -20.718 1.00 0.00 O ATOM 712 CB ALA A 41 -1.091 2.307 -18.561 1.00 0.00 C ATOM 0 H ALA A 41 -2.129 1.200 -16.642 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.144 2.116 -19.138 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.767 2.646 -19.545 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.283 3.171 -17.924 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.310 1.693 -18.113 1.00 0.00 H new ATOM 718 N ALA A 42 -1.426 -0.741 -19.255 1.00 0.00 N ATOM 719 CA ALA A 42 -1.249 -1.937 -20.073 1.00 0.00 C ATOM 720 C ALA A 42 -2.587 -2.613 -20.415 1.00 0.00 C ATOM 721 O ALA A 42 -2.768 -3.046 -21.548 1.00 0.00 O ATOM 722 CB ALA A 42 -0.287 -2.899 -19.365 1.00 0.00 C ATOM 0 H ALA A 42 -0.927 -0.767 -18.366 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.814 -1.641 -21.028 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.153 -3.793 -19.974 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.677 -2.410 -19.222 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.700 -3.179 -18.396 1.00 0.00 H new ATOM 728 N GLN A 43 -3.544 -2.648 -19.479 1.00 0.00 N ATOM 729 CA GLN A 43 -4.847 -3.269 -19.709 1.00 0.00 C ATOM 730 C GLN A 43 -5.713 -2.500 -20.711 1.00 0.00 C ATOM 731 O GLN A 43 -6.303 -3.132 -21.590 1.00 0.00 O ATOM 732 CB GLN A 43 -5.596 -3.506 -18.386 1.00 0.00 C ATOM 733 CG GLN A 43 -4.964 -4.610 -17.515 1.00 0.00 C ATOM 734 CD GLN A 43 -4.867 -5.978 -18.197 1.00 0.00 C ATOM 735 OE1 GLN A 43 -5.789 -6.458 -18.846 1.00 0.00 O ATOM 736 NE2 GLN A 43 -3.740 -6.651 -18.095 1.00 0.00 N ATOM 0 H GLN A 43 -3.434 -2.248 -18.547 1.00 0.00 H new ATOM 0 HA GLN A 43 -4.645 -4.239 -20.164 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -5.621 -2.575 -17.819 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -6.630 -3.773 -18.605 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -3.964 -4.294 -17.219 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -5.549 -4.714 -16.601 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -2.963 -6.266 -17.559 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.644 -7.558 -18.552 1.00 0.00 H new ATOM 745 N LYS A 44 -5.750 -1.161 -20.655 1.00 0.00 N ATOM 746 CA LYS A 44 -6.513 -0.361 -21.632 1.00 0.00 C ATOM 747 C LYS A 44 -5.804 -0.310 -22.985 1.00 0.00 C ATOM 748 O LYS A 44 -6.468 -0.339 -24.020 1.00 0.00 O ATOM 749 CB LYS A 44 -6.934 1.003 -21.058 1.00 0.00 C ATOM 750 CG LYS A 44 -5.836 2.072 -21.069 1.00 0.00 C ATOM 751 CD LYS A 44 -6.284 3.375 -20.400 1.00 0.00 C ATOM 752 CE LYS A 44 -6.379 3.242 -18.873 1.00 0.00 C ATOM 753 NZ LYS A 44 -6.598 4.565 -18.234 1.00 0.00 N ATOM 0 H LYS A 44 -5.264 -0.609 -19.948 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.458 -0.866 -21.832 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -7.787 1.373 -21.627 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.272 0.861 -20.032 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.954 1.688 -20.557 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -5.543 2.277 -22.099 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.581 4.170 -20.650 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.255 3.670 -20.798 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.197 2.569 -18.614 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.463 2.795 -18.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.490 4.475 -17.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.901 5.246 -18.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.557 4.902 -18.453 1.00 0.00 H new ATOM 767 N LEU A 45 -4.465 -0.354 -22.972 1.00 0.00 N ATOM 768 CA LEU A 45 -3.671 -0.598 -24.182 1.00 0.00 C ATOM 769 C LEU A 45 -3.678 -2.100 -24.618 1.00 0.00 C ATOM 770 O LEU A 45 -2.857 -2.504 -25.442 1.00 0.00 O ATOM 771 CB LEU A 45 -2.253 0.049 -24.077 1.00 0.00 C ATOM 772 CG LEU A 45 -2.102 1.598 -24.194 1.00 0.00 C ATOM 773 CD1 LEU A 45 -3.037 2.201 -25.245 1.00 0.00 C ATOM 774 CD2 LEU A 45 -2.330 2.346 -22.886 1.00 0.00 C ATOM 0 H LEU A 45 -3.906 -0.222 -22.129 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.160 -0.085 -25.010 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.829 -0.249 -23.118 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.632 -0.399 -24.853 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.062 1.729 -24.493 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.891 3.280 -25.285 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.815 1.768 -26.220 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.072 1.984 -24.979 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.207 3.416 -23.053 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.340 2.149 -22.525 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.607 2.009 -22.143 1.00 0.00 H new ATOM 786 N GLY A 46 -4.609 -2.923 -24.096 1.00 0.00 N ATOM 787 CA GLY A 46 -4.888 -4.260 -24.672 1.00 0.00 C ATOM 788 C GLY A 46 -4.192 -5.463 -24.017 1.00 0.00 C ATOM 789 O GLY A 46 -3.938 -6.476 -24.678 1.00 0.00 O ATOM 0 H GLY A 46 -5.179 -2.691 -23.282 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.964 -4.428 -24.631 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.608 -4.240 -25.725 1.00 0.00 H new ATOM 793 N GLY A 47 -3.911 -5.320 -22.722 1.00 0.00 N ATOM 794 CA GLY A 47 -3.049 -6.234 -21.972 1.00 0.00 C ATOM 795 C GLY A 47 -1.671 -6.457 -22.612 1.00 0.00 C ATOM 796 O GLY A 47 -1.339 -5.901 -23.663 1.00 0.00 O ATOM 0 H GLY A 47 -4.281 -4.556 -22.157 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.911 -5.843 -20.964 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.553 -7.195 -21.875 1.00 0.00 H new ATOM 800 N TYR A 48 -0.860 -7.310 -21.984 1.00 0.00 N ATOM 801 CA TYR A 48 0.377 -7.809 -22.600 1.00 0.00 C ATOM 802 C TYR A 48 0.133 -8.450 -23.987 1.00 0.00 C ATOM 803 O TYR A 48 1.038 -8.500 -24.819 1.00 0.00 O ATOM 804 CB TYR A 48 1.037 -8.797 -21.631 1.00 0.00 C ATOM 805 CG TYR A 48 2.483 -9.143 -21.941 1.00 0.00 C ATOM 806 CD1 TYR A 48 3.511 -8.245 -21.589 1.00 0.00 C ATOM 807 CD2 TYR A 48 2.805 -10.374 -22.546 1.00 0.00 C ATOM 808 CE1 TYR A 48 4.858 -8.583 -21.822 1.00 0.00 C ATOM 809 CE2 TYR A 48 4.151 -10.711 -22.791 1.00 0.00 C ATOM 810 CZ TYR A 48 5.181 -9.816 -22.428 1.00 0.00 C ATOM 811 OH TYR A 48 6.487 -10.137 -22.653 1.00 0.00 O ATOM 0 H TYR A 48 -1.036 -7.672 -21.047 1.00 0.00 H new ATOM 0 HA TYR A 48 1.044 -6.966 -22.782 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.988 -8.381 -20.625 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.454 -9.718 -21.624 1.00 0.00 H new ATOM 0 HD1 TYR A 48 3.265 -7.295 -21.139 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.019 -11.061 -22.823 1.00 0.00 H new ATOM 0 HE1 TYR A 48 5.644 -7.899 -21.537 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.395 -11.654 -23.257 1.00 0.00 H new ATOM 0 HH TYR A 48 6.539 -11.020 -23.076 1.00 0.00 H new ATOM 821 N GLU A 49 -1.096 -8.910 -24.260 1.00 0.00 N ATOM 822 CA GLU A 49 -1.422 -9.580 -25.530 1.00 0.00 C ATOM 823 C GLU A 49 -1.302 -8.636 -26.736 1.00 0.00 C ATOM 824 O GLU A 49 -0.539 -8.900 -27.669 1.00 0.00 O ATOM 825 CB GLU A 49 -2.844 -10.182 -25.505 1.00 0.00 C ATOM 826 CG GLU A 49 -3.164 -11.105 -24.322 1.00 0.00 C ATOM 827 CD GLU A 49 -3.702 -10.319 -23.113 1.00 0.00 C ATOM 828 OE1 GLU A 49 -2.872 -9.854 -22.295 1.00 0.00 O ATOM 829 OE2 GLU A 49 -4.940 -10.184 -22.965 1.00 0.00 O ATOM 0 H GLU A 49 -1.884 -8.831 -23.617 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.690 -10.380 -25.640 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.564 -9.363 -25.506 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.996 -10.741 -26.428 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -3.900 -11.848 -24.629 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.265 -11.648 -24.031 1.00 0.00 H new ATOM 836 N THR A 50 -2.011 -7.503 -26.707 1.00 0.00 N ATOM 837 CA THR A 50 -1.934 -6.493 -27.771 1.00 0.00 C ATOM 838 C THR A 50 -0.588 -5.768 -27.733 1.00 0.00 C ATOM 839 O THR A 50 -0.046 -5.426 -28.782 1.00 0.00 O ATOM 840 CB THR A 50 -3.088 -5.482 -27.701 1.00 0.00 C ATOM 841 OG1 THR A 50 -4.331 -6.147 -27.593 1.00 0.00 O ATOM 842 CG2 THR A 50 -3.186 -4.626 -28.963 1.00 0.00 C ATOM 0 H THR A 50 -2.651 -7.260 -25.951 1.00 0.00 H new ATOM 0 HA THR A 50 -2.025 -7.024 -28.719 1.00 0.00 H new ATOM 0 HB THR A 50 -2.878 -4.860 -26.831 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.486 -6.400 -26.659 1.00 0.00 H new ATOM 0 HG21 THR A 50 -4.017 -3.927 -28.865 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.258 -4.070 -29.099 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.353 -5.269 -29.827 1.00 0.00 H new ATOM 850 N ILE A 51 0.011 -5.609 -26.545 1.00 0.00 N ATOM 851 CA ILE A 51 1.393 -5.126 -26.418 1.00 0.00 C ATOM 852 C ILE A 51 2.388 -6.002 -27.200 1.00 0.00 C ATOM 853 O ILE A 51 3.269 -5.460 -27.868 1.00 0.00 O ATOM 854 CB ILE A 51 1.749 -4.966 -24.914 1.00 0.00 C ATOM 855 CG1 ILE A 51 1.782 -3.480 -24.502 1.00 0.00 C ATOM 856 CG2 ILE A 51 3.054 -5.644 -24.483 1.00 0.00 C ATOM 857 CD1 ILE A 51 0.384 -2.847 -24.470 1.00 0.00 C ATOM 0 H ILE A 51 -0.443 -5.809 -25.654 1.00 0.00 H new ATOM 0 HA ILE A 51 1.473 -4.142 -26.880 1.00 0.00 H new ATOM 0 HB ILE A 51 0.947 -5.487 -24.391 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.241 -3.390 -23.517 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.412 -2.927 -25.199 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.216 -5.477 -23.418 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.989 -6.715 -24.676 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.886 -5.223 -25.047 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.465 -1.801 -24.174 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.067 -2.910 -25.460 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.240 -3.380 -23.753 1.00 0.00 H new ATOM 869 N THR A 52 2.216 -7.329 -27.191 1.00 0.00 N ATOM 870 CA THR A 52 3.087 -8.248 -27.948 1.00 0.00 C ATOM 871 C THR A 52 2.809 -8.161 -29.451 1.00 0.00 C ATOM 872 O THR A 52 3.742 -8.175 -30.259 1.00 0.00 O ATOM 873 CB THR A 52 2.907 -9.697 -27.459 1.00 0.00 C ATOM 874 OG1 THR A 52 3.200 -9.786 -26.081 1.00 0.00 O ATOM 875 CG2 THR A 52 3.844 -10.688 -28.153 1.00 0.00 C ATOM 0 H THR A 52 1.478 -7.797 -26.665 1.00 0.00 H new ATOM 0 HA THR A 52 4.119 -7.945 -27.773 1.00 0.00 H new ATOM 0 HB THR A 52 1.872 -9.952 -27.686 1.00 0.00 H new ATOM 0 HG1 THR A 52 2.486 -9.354 -25.566 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.667 -11.690 -27.763 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.655 -10.677 -29.226 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.879 -10.403 -27.964 1.00 0.00 H new ATOM 883 N ALA A 53 1.538 -8.005 -29.837 1.00 0.00 N ATOM 884 CA ALA A 53 1.155 -7.823 -31.239 1.00 0.00 C ATOM 885 C ALA A 53 1.599 -6.476 -31.858 1.00 0.00 C ATOM 886 O ALA A 53 1.766 -6.402 -33.078 1.00 0.00 O ATOM 887 CB ALA A 53 -0.367 -7.986 -31.335 1.00 0.00 C ATOM 0 H ALA A 53 0.750 -8.001 -29.189 1.00 0.00 H new ATOM 0 HA ALA A 53 1.680 -8.579 -31.823 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.682 -7.855 -32.370 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.649 -8.982 -30.993 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.853 -7.237 -30.710 1.00 0.00 H new ATOM 893 N ARG A 54 1.814 -5.426 -31.040 1.00 0.00 N ATOM 894 CA ARG A 54 2.006 -4.053 -31.571 1.00 0.00 C ATOM 895 C ARG A 54 3.205 -3.249 -31.043 1.00 0.00 C ATOM 896 O ARG A 54 3.458 -2.178 -31.593 1.00 0.00 O ATOM 897 CB ARG A 54 0.733 -3.234 -31.285 1.00 0.00 C ATOM 898 CG ARG A 54 -0.527 -3.646 -32.055 1.00 0.00 C ATOM 899 CD ARG A 54 -1.593 -2.590 -31.738 1.00 0.00 C ATOM 900 NE ARG A 54 -2.896 -2.859 -32.367 1.00 0.00 N ATOM 901 CZ ARG A 54 -3.974 -2.110 -32.222 1.00 0.00 C ATOM 902 NH1 ARG A 54 -3.984 -1.043 -31.468 1.00 0.00 N ATOM 903 NH2 ARG A 54 -5.080 -2.419 -32.837 1.00 0.00 N ATOM 0 H ARG A 54 1.859 -5.495 -30.023 1.00 0.00 H new ATOM 0 HA ARG A 54 2.216 -4.208 -32.629 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.518 -3.297 -30.218 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.942 -2.188 -31.507 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.330 -3.690 -33.126 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.861 -4.638 -31.751 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.726 -2.533 -30.658 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.235 -1.615 -32.067 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.972 -3.686 -32.959 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -3.140 -0.764 -30.967 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.836 -0.489 -31.380 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -5.117 -3.244 -33.435 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -5.909 -1.836 -32.720 1.00 0.00 H new ATOM 917 N ARG A 55 3.952 -3.717 -30.028 1.00 0.00 N ATOM 918 CA ARG A 55 4.955 -2.907 -29.279 1.00 0.00 C ATOM 919 C ARG A 55 4.365 -1.554 -28.883 1.00 0.00 C ATOM 920 O ARG A 55 4.837 -0.474 -29.237 1.00 0.00 O ATOM 921 CB ARG A 55 6.387 -2.915 -29.868 1.00 0.00 C ATOM 922 CG ARG A 55 6.632 -2.581 -31.356 1.00 0.00 C ATOM 923 CD ARG A 55 6.352 -3.708 -32.370 1.00 0.00 C ATOM 924 NE ARG A 55 6.996 -4.985 -31.987 1.00 0.00 N ATOM 925 CZ ARG A 55 6.394 -6.119 -31.667 1.00 0.00 C ATOM 926 NH1 ARG A 55 5.124 -6.317 -31.864 1.00 0.00 N ATOM 927 NH2 ARG A 55 7.061 -7.094 -31.124 1.00 0.00 N ATOM 0 H ARG A 55 3.883 -4.678 -29.693 1.00 0.00 H new ATOM 0 HA ARG A 55 5.157 -3.416 -28.337 1.00 0.00 H new ATOM 0 HB2 ARG A 55 6.979 -2.213 -29.281 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.801 -3.908 -29.690 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.013 -1.724 -31.619 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.671 -2.271 -31.469 1.00 0.00 H new ATOM 0 HD2 ARG A 55 5.276 -3.858 -32.454 1.00 0.00 H new ATOM 0 HD3 ARG A 55 6.710 -3.405 -33.354 1.00 0.00 H new ATOM 0 HE ARG A 55 8.016 -4.991 -31.968 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.552 -5.582 -32.280 1.00 0.00 H new ATOM 0 HH12 ARG A 55 4.700 -7.207 -31.602 1.00 0.00 H new ATOM 0 HH21 ARG A 55 8.059 -6.989 -30.940 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.586 -7.964 -30.881 1.00 0.00 H new ATOM 941 N GLN A 56 3.278 -1.693 -28.119 1.00 0.00 N ATOM 942 CA GLN A 56 2.393 -0.577 -27.773 1.00 0.00 C ATOM 943 C GLN A 56 2.770 0.078 -26.429 1.00 0.00 C ATOM 944 O GLN A 56 2.048 0.934 -25.926 1.00 0.00 O ATOM 945 CB GLN A 56 0.947 -1.090 -27.870 1.00 0.00 C ATOM 946 CG GLN A 56 -0.132 -0.002 -27.967 1.00 0.00 C ATOM 947 CD GLN A 56 -1.413 -0.546 -28.594 1.00 0.00 C ATOM 948 OE1 GLN A 56 -1.840 -0.154 -29.673 1.00 0.00 O ATOM 949 NE2 GLN A 56 -2.059 -1.506 -27.978 1.00 0.00 N ATOM 0 H GLN A 56 2.986 -2.586 -27.722 1.00 0.00 H new ATOM 0 HA GLN A 56 2.506 0.247 -28.477 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.867 -1.737 -28.744 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.739 -1.707 -26.996 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -0.349 0.388 -26.973 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.241 0.831 -28.562 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.724 -1.850 -27.078 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.897 -1.909 -28.398 1.00 0.00 H new ATOM 958 N TRP A 57 3.941 -0.266 -25.872 1.00 0.00 N ATOM 959 CA TRP A 57 4.583 0.432 -24.745 1.00 0.00 C ATOM 960 C TRP A 57 4.696 1.937 -25.001 1.00 0.00 C ATOM 961 O TRP A 57 4.523 2.726 -24.076 1.00 0.00 O ATOM 962 CB TRP A 57 5.965 -0.160 -24.464 1.00 0.00 C ATOM 963 CG TRP A 57 5.958 -1.624 -24.187 1.00 0.00 C ATOM 964 CD1 TRP A 57 6.252 -2.598 -25.078 1.00 0.00 C ATOM 965 CD2 TRP A 57 5.605 -2.297 -22.939 1.00 0.00 C ATOM 966 NE1 TRP A 57 6.060 -3.828 -24.483 1.00 0.00 N ATOM 967 CE2 TRP A 57 5.644 -3.701 -23.173 1.00 0.00 C ATOM 968 CE3 TRP A 57 5.249 -1.867 -21.639 1.00 0.00 C ATOM 969 CZ2 TRP A 57 5.319 -4.632 -22.179 1.00 0.00 C ATOM 970 CZ3 TRP A 57 4.910 -2.795 -20.633 1.00 0.00 C ATOM 971 CH2 TRP A 57 4.935 -4.173 -20.911 1.00 0.00 C ATOM 0 H TRP A 57 4.485 -1.063 -26.203 1.00 0.00 H new ATOM 0 HA TRP A 57 3.950 0.289 -23.869 1.00 0.00 H new ATOM 0 HB2 TRP A 57 6.611 0.033 -25.320 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.403 0.358 -23.611 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.584 -2.439 -26.093 1.00 0.00 H new ATOM 0 HE1 TRP A 57 6.207 -4.721 -24.953 1.00 0.00 H new ATOM 0 HE3 TRP A 57 5.237 -0.811 -21.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 5.364 -5.691 -22.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 4.631 -2.447 -19.649 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.657 -4.881 -20.144 1.00 0.00 H new ATOM 982 N LYS A 58 4.874 2.357 -26.262 1.00 0.00 N ATOM 983 CA LYS A 58 4.812 3.786 -26.641 1.00 0.00 C ATOM 984 C LYS A 58 3.475 4.472 -26.309 1.00 0.00 C ATOM 985 O LYS A 58 3.467 5.671 -26.041 1.00 0.00 O ATOM 986 CB LYS A 58 5.186 3.968 -28.123 1.00 0.00 C ATOM 987 CG LYS A 58 6.668 3.687 -28.436 1.00 0.00 C ATOM 988 CD LYS A 58 7.628 4.656 -27.718 1.00 0.00 C ATOM 989 CE LYS A 58 9.093 4.486 -28.144 1.00 0.00 C ATOM 990 NZ LYS A 58 9.342 4.970 -29.529 1.00 0.00 N ATOM 0 H LYS A 58 5.063 1.729 -27.043 1.00 0.00 H new ATOM 0 HA LYS A 58 5.550 4.294 -26.020 1.00 0.00 H new ATOM 0 HB2 LYS A 58 4.566 3.306 -28.727 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.949 4.989 -28.424 1.00 0.00 H new ATOM 0 HG2 LYS A 58 6.908 2.664 -28.145 1.00 0.00 H new ATOM 0 HG3 LYS A 58 6.826 3.758 -29.512 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.315 5.681 -27.918 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.550 4.503 -26.642 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.735 5.030 -27.451 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.369 3.434 -28.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.351 4.865 -29.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.776 4.412 -30.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.074 5.972 -29.600 1.00 0.00 H new ATOM 1004 N HIS A 59 2.368 3.726 -26.238 1.00 0.00 N ATOM 1005 CA HIS A 59 1.082 4.257 -25.764 1.00 0.00 C ATOM 1006 C HIS A 59 0.831 3.985 -24.263 1.00 0.00 C ATOM 1007 O HIS A 59 0.032 4.681 -23.635 1.00 0.00 O ATOM 1008 CB HIS A 59 -0.050 3.733 -26.654 1.00 0.00 C ATOM 1009 CG HIS A 59 0.054 4.195 -28.088 1.00 0.00 C ATOM 1010 ND1 HIS A 59 -0.612 5.263 -28.646 1.00 0.00 N ATOM 1011 CD2 HIS A 59 0.840 3.655 -29.073 1.00 0.00 C ATOM 1012 CE1 HIS A 59 -0.239 5.366 -29.934 1.00 0.00 C ATOM 1013 NE2 HIS A 59 0.651 4.404 -30.243 1.00 0.00 N ATOM 0 H HIS A 59 2.336 2.742 -26.505 1.00 0.00 H new ATOM 0 HA HIS A 59 1.114 5.343 -25.848 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -0.047 2.643 -26.630 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -1.006 4.058 -26.243 1.00 0.00 H new ATOM 0 HD2 HIS A 59 1.492 2.801 -28.966 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -0.602 6.114 -30.623 1.00 0.00 H new ATOM 0 HE2 HIS A 59 1.098 4.251 -31.147 1.00 0.00 H new ATOM 1021 N ILE A 60 1.552 3.042 -23.640 1.00 0.00 N ATOM 1022 CA ILE A 60 1.584 2.944 -22.170 1.00 0.00 C ATOM 1023 C ILE A 60 2.285 4.206 -21.660 1.00 0.00 C ATOM 1024 O ILE A 60 1.757 4.868 -20.777 1.00 0.00 O ATOM 1025 CB ILE A 60 2.248 1.636 -21.682 1.00 0.00 C ATOM 1026 CG1 ILE A 60 1.307 0.454 -22.011 1.00 0.00 C ATOM 1027 CG2 ILE A 60 2.557 1.684 -20.172 1.00 0.00 C ATOM 1028 CD1 ILE A 60 1.919 -0.930 -21.771 1.00 0.00 C ATOM 0 H ILE A 60 2.116 2.342 -24.123 1.00 0.00 H new ATOM 0 HA ILE A 60 0.574 2.892 -21.763 1.00 0.00 H new ATOM 0 HB ILE A 60 3.201 1.508 -22.195 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.403 0.547 -21.409 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.004 0.527 -23.055 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.023 0.747 -19.866 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.236 2.511 -19.966 1.00 0.00 H new ATOM 0 HG23 ILE A 60 1.631 1.827 -19.615 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.191 -1.699 -22.027 1.00 0.00 H new ATOM 0 HD12 ILE A 60 2.806 -1.048 -22.393 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.196 -1.028 -20.721 1.00 0.00 H new ATOM 1040 N TYR A 61 3.394 4.612 -22.292 1.00 0.00 N ATOM 1041 CA TYR A 61 4.051 5.909 -22.096 1.00 0.00 C ATOM 1042 C TYR A 61 3.100 7.100 -22.347 1.00 0.00 C ATOM 1043 O TYR A 61 3.181 8.113 -21.651 1.00 0.00 O ATOM 1044 CB TYR A 61 5.295 5.971 -22.998 1.00 0.00 C ATOM 1045 CG TYR A 61 5.895 7.349 -23.209 1.00 0.00 C ATOM 1046 CD1 TYR A 61 6.776 7.901 -22.258 1.00 0.00 C ATOM 1047 CD2 TYR A 61 5.578 8.070 -24.378 1.00 0.00 C ATOM 1048 CE1 TYR A 61 7.340 9.174 -22.477 1.00 0.00 C ATOM 1049 CE2 TYR A 61 6.136 9.342 -24.598 1.00 0.00 C ATOM 1050 CZ TYR A 61 7.018 9.898 -23.646 1.00 0.00 C ATOM 1051 OH TYR A 61 7.566 11.123 -23.865 1.00 0.00 O ATOM 0 H TYR A 61 3.874 4.027 -22.976 1.00 0.00 H new ATOM 0 HA TYR A 61 4.352 5.995 -21.052 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.061 5.324 -22.571 1.00 0.00 H new ATOM 0 HB3 TYR A 61 5.034 5.557 -23.972 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.019 7.349 -21.362 1.00 0.00 H new ATOM 0 HD2 TYR A 61 4.904 7.644 -25.107 1.00 0.00 H new ATOM 0 HE1 TYR A 61 8.019 9.596 -21.751 1.00 0.00 H new ATOM 0 HE2 TYR A 61 5.890 9.893 -25.494 1.00 0.00 H new ATOM 0 HH TYR A 61 7.238 11.481 -24.717 1.00 0.00 H new ATOM 1061 N ASP A 62 2.165 6.949 -23.293 1.00 0.00 N ATOM 1062 CA ASP A 62 1.090 7.935 -23.500 1.00 0.00 C ATOM 1063 C ASP A 62 0.207 8.087 -22.247 1.00 0.00 C ATOM 1064 O ASP A 62 -0.009 9.206 -21.777 1.00 0.00 O ATOM 1065 CB ASP A 62 0.280 7.703 -24.781 1.00 0.00 C ATOM 1066 CG ASP A 62 -0.608 8.917 -25.103 1.00 0.00 C ATOM 1067 OD1 ASP A 62 -0.068 9.961 -25.545 1.00 0.00 O ATOM 1068 OD2 ASP A 62 -1.847 8.829 -24.937 1.00 0.00 O ATOM 0 H ASP A 62 2.129 6.153 -23.930 1.00 0.00 H new ATOM 0 HA ASP A 62 1.584 8.894 -23.657 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.957 7.513 -25.614 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.341 6.815 -24.666 1.00 0.00 H new ATOM 1073 N GLU A 63 -0.223 6.973 -21.645 1.00 0.00 N ATOM 1074 CA GLU A 63 -0.879 7.000 -20.324 1.00 0.00 C ATOM 1075 C GLU A 63 0.031 7.442 -19.155 1.00 0.00 C ATOM 1076 O GLU A 63 -0.464 8.095 -18.231 1.00 0.00 O ATOM 1077 CB GLU A 63 -1.497 5.629 -20.007 1.00 0.00 C ATOM 1078 CG GLU A 63 -2.821 5.393 -20.740 1.00 0.00 C ATOM 1079 CD GLU A 63 -3.930 6.332 -20.225 1.00 0.00 C ATOM 1080 OE1 GLU A 63 -4.458 6.090 -19.113 1.00 0.00 O ATOM 1081 OE2 GLU A 63 -4.296 7.300 -20.932 1.00 0.00 O ATOM 0 H GLU A 63 -0.131 6.040 -22.047 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.652 7.764 -20.406 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.791 4.845 -20.280 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.662 5.549 -18.933 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.678 5.549 -21.809 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.131 4.356 -20.608 1.00 0.00 H new ATOM 1088 N LEU A 64 1.338 7.139 -19.169 1.00 0.00 N ATOM 1089 CA LEU A 64 2.285 7.613 -18.142 1.00 0.00 C ATOM 1090 C LEU A 64 2.473 9.141 -18.173 1.00 0.00 C ATOM 1091 O LEU A 64 2.751 9.745 -17.134 1.00 0.00 O ATOM 1092 CB LEU A 64 3.677 6.946 -18.266 1.00 0.00 C ATOM 1093 CG LEU A 64 3.755 5.414 -18.142 1.00 0.00 C ATOM 1094 CD1 LEU A 64 5.220 4.975 -18.092 1.00 0.00 C ATOM 1095 CD2 LEU A 64 3.044 4.864 -16.904 1.00 0.00 C ATOM 0 H LEU A 64 1.770 6.560 -19.889 1.00 0.00 H new ATOM 0 HA LEU A 64 1.833 7.327 -17.192 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.097 7.225 -19.233 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.324 7.377 -17.501 1.00 0.00 H new ATOM 0 HG LEU A 64 3.246 5.012 -19.018 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.272 3.890 -18.004 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.726 5.290 -19.005 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.708 5.432 -17.231 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.140 3.778 -16.882 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.496 5.287 -16.007 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.989 5.134 -16.940 1.00 0.00 H new ATOM 1107 N GLY A 65 2.354 9.754 -19.357 1.00 0.00 N ATOM 1108 CA GLY A 65 2.725 11.162 -19.551 1.00 0.00 C ATOM 1109 C GLY A 65 4.197 11.438 -19.204 1.00 0.00 C ATOM 1110 O GLY A 65 4.503 12.459 -18.581 1.00 0.00 O ATOM 0 H GLY A 65 2.003 9.296 -20.198 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.541 11.443 -20.588 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.085 11.791 -18.932 1.00 0.00 H new ATOM 1114 N GLY A 66 5.086 10.488 -19.528 1.00 0.00 N ATOM 1115 CA GLY A 66 6.471 10.512 -19.054 1.00 0.00 C ATOM 1116 C GLY A 66 7.363 11.631 -19.610 1.00 0.00 C ATOM 1117 O GLY A 66 6.994 12.370 -20.526 1.00 0.00 O ATOM 0 H GLY A 66 4.865 9.689 -20.122 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.459 10.593 -17.967 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.932 9.555 -19.297 1.00 0.00 H new ATOM 1121 N ASN A 67 8.571 11.726 -19.046 1.00 0.00 N ATOM 1122 CA ASN A 67 9.635 12.635 -19.481 1.00 0.00 C ATOM 1123 C ASN A 67 9.942 12.480 -20.996 1.00 0.00 C ATOM 1124 O ASN A 67 10.204 11.350 -21.418 1.00 0.00 O ATOM 1125 CB ASN A 67 10.866 12.327 -18.611 1.00 0.00 C ATOM 1126 CG ASN A 67 12.063 13.195 -18.963 1.00 0.00 C ATOM 1127 OD1 ASN A 67 11.980 14.413 -19.023 1.00 0.00 O ATOM 1128 ND2 ASN A 67 13.206 12.610 -19.233 1.00 0.00 N ATOM 0 H ASN A 67 8.844 11.153 -18.247 1.00 0.00 H new ATOM 0 HA ASN A 67 9.328 13.673 -19.354 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.611 12.475 -17.562 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.136 11.278 -18.729 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.018 13.171 -19.491 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.283 11.594 -19.185 1.00 0.00 H new ATOM 1135 N PRO A 68 9.940 13.562 -21.810 1.00 0.00 N ATOM 1136 CA PRO A 68 10.088 13.502 -23.272 1.00 0.00 C ATOM 1137 C PRO A 68 11.250 12.664 -23.828 1.00 0.00 C ATOM 1138 O PRO A 68 11.092 11.987 -24.847 1.00 0.00 O ATOM 1139 CB PRO A 68 10.189 14.958 -23.734 1.00 0.00 C ATOM 1140 CG PRO A 68 9.332 15.695 -22.712 1.00 0.00 C ATOM 1141 CD PRO A 68 9.599 14.927 -21.418 1.00 0.00 C ATOM 0 HA PRO A 68 9.224 12.967 -23.668 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.219 15.313 -23.730 1.00 0.00 H new ATOM 0 HB3 PRO A 68 9.811 15.088 -24.748 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.619 16.743 -22.626 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.276 15.675 -22.982 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.413 15.384 -20.856 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.721 14.938 -20.772 1.00 0.00 H new ATOM 1149 N GLY A 69 12.409 12.688 -23.163 1.00 0.00 N ATOM 1150 CA GLY A 69 13.573 11.891 -23.580 1.00 0.00 C ATOM 1151 C GLY A 69 13.471 10.413 -23.179 1.00 0.00 C ATOM 1152 O GLY A 69 13.850 9.531 -23.951 1.00 0.00 O ATOM 0 H GLY A 69 12.569 13.253 -22.329 1.00 0.00 H new ATOM 0 HA2 GLY A 69 13.683 11.960 -24.662 1.00 0.00 H new ATOM 0 HA3 GLY A 69 14.474 12.318 -23.140 1.00 0.00 H new ATOM 1156 N SER A 70 12.910 10.144 -21.996 1.00 0.00 N ATOM 1157 CA SER A 70 12.830 8.783 -21.439 1.00 0.00 C ATOM 1158 C SER A 70 11.720 7.910 -22.044 1.00 0.00 C ATOM 1159 O SER A 70 11.253 6.980 -21.389 1.00 0.00 O ATOM 1160 CB SER A 70 12.620 8.869 -19.918 1.00 0.00 C ATOM 1161 OG SER A 70 13.555 9.747 -19.308 1.00 0.00 O ATOM 0 H SER A 70 12.499 10.859 -21.396 1.00 0.00 H new ATOM 0 HA SER A 70 13.774 8.300 -21.693 1.00 0.00 H new ATOM 0 HB2 SER A 70 11.607 9.214 -19.709 1.00 0.00 H new ATOM 0 HB3 SER A 70 12.715 7.875 -19.481 1.00 0.00 H new ATOM 0 HG SER A 70 13.392 9.779 -18.342 1.00 0.00 H new ATOM 1167 N THR A 71 11.263 8.183 -23.271 1.00 0.00 N ATOM 1168 CA THR A 71 10.205 7.400 -23.939 1.00 0.00 C ATOM 1169 C THR A 71 10.521 5.892 -24.035 1.00 0.00 C ATOM 1170 O THR A 71 9.622 5.048 -23.982 1.00 0.00 O ATOM 1171 CB THR A 71 9.868 8.005 -25.316 1.00 0.00 C ATOM 1172 OG1 THR A 71 8.780 7.337 -25.919 1.00 0.00 O ATOM 1173 CG2 THR A 71 11.026 7.951 -26.318 1.00 0.00 C ATOM 0 H THR A 71 11.615 8.956 -23.835 1.00 0.00 H new ATOM 0 HA THR A 71 9.320 7.468 -23.306 1.00 0.00 H new ATOM 0 HB THR A 71 9.632 9.047 -25.099 1.00 0.00 H new ATOM 0 HG1 THR A 71 7.939 7.708 -25.579 1.00 0.00 H new ATOM 0 HG21 THR A 71 10.711 8.395 -27.262 1.00 0.00 H new ATOM 0 HG22 THR A 71 11.876 8.506 -25.922 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.315 6.913 -26.484 1.00 0.00 H new ATOM 1181 N SER A 72 11.812 5.535 -24.081 1.00 0.00 N ATOM 1182 CA SER A 72 12.331 4.160 -24.009 1.00 0.00 C ATOM 1183 C SER A 72 12.062 3.438 -22.679 1.00 0.00 C ATOM 1184 O SER A 72 12.136 2.211 -22.626 1.00 0.00 O ATOM 1185 CB SER A 72 13.841 4.177 -24.275 1.00 0.00 C ATOM 1186 OG SER A 72 14.488 5.070 -23.378 1.00 0.00 O ATOM 0 H SER A 72 12.556 6.226 -24.173 1.00 0.00 H new ATOM 0 HA SER A 72 11.790 3.597 -24.770 1.00 0.00 H new ATOM 0 HB2 SER A 72 14.249 3.173 -24.158 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.033 4.481 -25.304 1.00 0.00 H new ATOM 0 HG SER A 72 15.452 5.071 -23.556 1.00 0.00 H new ATOM 1192 N ALA A 73 11.740 4.156 -21.600 1.00 0.00 N ATOM 1193 CA ALA A 73 11.433 3.522 -20.313 1.00 0.00 C ATOM 1194 C ALA A 73 10.249 2.544 -20.362 1.00 0.00 C ATOM 1195 O ALA A 73 10.341 1.467 -19.778 1.00 0.00 O ATOM 1196 CB ALA A 73 11.195 4.616 -19.270 1.00 0.00 C ATOM 0 H ALA A 73 11.685 5.174 -21.591 1.00 0.00 H new ATOM 0 HA ALA A 73 12.293 2.910 -20.040 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.966 4.158 -18.308 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.091 5.230 -19.175 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.359 5.241 -19.583 1.00 0.00 H new ATOM 1202 N ALA A 74 9.172 2.857 -21.091 1.00 0.00 N ATOM 1203 CA ALA A 74 8.096 1.902 -21.384 1.00 0.00 C ATOM 1204 C ALA A 74 8.598 0.680 -22.181 1.00 0.00 C ATOM 1205 O ALA A 74 8.179 -0.447 -21.919 1.00 0.00 O ATOM 1206 CB ALA A 74 6.966 2.661 -22.075 1.00 0.00 C ATOM 0 H ALA A 74 9.021 3.781 -21.495 1.00 0.00 H new ATOM 0 HA ALA A 74 7.713 1.474 -20.458 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.152 1.973 -22.304 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.601 3.449 -21.416 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.337 3.104 -22.999 1.00 0.00 H new ATOM 1212 N THR A 75 9.552 0.878 -23.095 1.00 0.00 N ATOM 1213 CA THR A 75 10.177 -0.230 -23.835 1.00 0.00 C ATOM 1214 C THR A 75 11.023 -1.128 -22.925 1.00 0.00 C ATOM 1215 O THR A 75 10.888 -2.346 -22.985 1.00 0.00 O ATOM 1216 CB THR A 75 11.021 0.323 -24.998 1.00 0.00 C ATOM 1217 OG1 THR A 75 10.203 1.107 -25.843 1.00 0.00 O ATOM 1218 CG2 THR A 75 11.634 -0.777 -25.867 1.00 0.00 C ATOM 0 H THR A 75 9.912 1.799 -23.344 1.00 0.00 H new ATOM 0 HA THR A 75 9.378 -0.852 -24.238 1.00 0.00 H new ATOM 0 HB THR A 75 11.825 0.902 -24.544 1.00 0.00 H new ATOM 0 HG1 THR A 75 10.740 1.461 -26.582 1.00 0.00 H new ATOM 0 HG21 THR A 75 12.217 -0.324 -26.669 1.00 0.00 H new ATOM 0 HG22 THR A 75 12.283 -1.404 -25.256 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.839 -1.387 -26.296 1.00 0.00 H new ATOM 1226 N CYS A 76 11.843 -0.571 -22.027 1.00 0.00 N ATOM 1227 CA CYS A 76 12.595 -1.339 -21.020 1.00 0.00 C ATOM 1228 C CYS A 76 11.666 -2.013 -19.996 1.00 0.00 C ATOM 1229 O CYS A 76 11.897 -3.156 -19.596 1.00 0.00 O ATOM 1230 CB CYS A 76 13.587 -0.402 -20.313 1.00 0.00 C ATOM 1231 SG CYS A 76 14.729 0.357 -21.509 1.00 0.00 S ATOM 0 H CYS A 76 12.007 0.434 -21.976 1.00 0.00 H new ATOM 0 HA CYS A 76 13.135 -2.137 -21.529 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.041 0.377 -19.781 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.153 -0.961 -19.568 1.00 0.00 H new ATOM 0 HG CYS A 76 14.097 1.258 -22.201 1.00 0.00 H new ATOM 1237 N THR A 77 10.575 -1.328 -19.645 1.00 0.00 N ATOM 1238 CA THR A 77 9.508 -1.900 -18.808 1.00 0.00 C ATOM 1239 C THR A 77 8.954 -3.221 -19.343 1.00 0.00 C ATOM 1240 O THR A 77 8.544 -4.047 -18.529 1.00 0.00 O ATOM 1241 CB THR A 77 8.400 -0.869 -18.546 1.00 0.00 C ATOM 1242 OG1 THR A 77 8.957 0.180 -17.786 1.00 0.00 O ATOM 1243 CG2 THR A 77 7.217 -1.376 -17.729 1.00 0.00 C ATOM 0 H THR A 77 10.403 -0.364 -19.930 1.00 0.00 H new ATOM 0 HA THR A 77 9.967 -2.151 -17.851 1.00 0.00 H new ATOM 0 HB THR A 77 8.029 -0.586 -19.531 1.00 0.00 H new ATOM 0 HG1 THR A 77 9.501 0.752 -18.367 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.492 -0.572 -17.601 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.746 -2.210 -18.250 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.566 -1.709 -16.752 1.00 0.00 H new ATOM 1251 N ARG A 78 9.044 -3.519 -20.651 1.00 0.00 N ATOM 1252 CA ARG A 78 8.632 -4.822 -21.187 1.00 0.00 C ATOM 1253 C ARG A 78 9.433 -5.966 -20.593 1.00 0.00 C ATOM 1254 O ARG A 78 8.904 -7.072 -20.499 1.00 0.00 O ATOM 1255 CB ARG A 78 8.686 -4.832 -22.730 1.00 0.00 C ATOM 1256 CG ARG A 78 10.010 -5.307 -23.353 1.00 0.00 C ATOM 1257 CD ARG A 78 10.044 -5.020 -24.859 1.00 0.00 C ATOM 1258 NE ARG A 78 11.346 -5.396 -25.449 1.00 0.00 N ATOM 1259 CZ ARG A 78 11.730 -6.593 -25.859 1.00 0.00 C ATOM 1260 NH1 ARG A 78 10.957 -7.639 -25.781 1.00 0.00 N ATOM 1261 NH2 ARG A 78 12.921 -6.764 -26.356 1.00 0.00 N ATOM 0 H ARG A 78 9.399 -2.872 -21.355 1.00 0.00 H new ATOM 0 HA ARG A 78 7.595 -4.979 -20.889 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.884 -5.471 -23.098 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.480 -3.823 -23.088 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.846 -4.806 -22.865 1.00 0.00 H new ATOM 0 HG3 ARG A 78 10.134 -6.376 -23.180 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.245 -5.572 -25.354 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.856 -3.961 -25.034 1.00 0.00 H new ATOM 0 HE ARG A 78 12.028 -4.644 -25.552 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.018 -7.551 -25.393 1.00 0.00 H new ATOM 0 HH12 ARG A 78 11.291 -8.545 -26.108 1.00 0.00 H new ATOM 0 HH21 ARG A 78 13.561 -5.973 -26.430 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.214 -7.689 -26.671 1.00 0.00 H new ATOM 1275 N ARG A 79 10.683 -5.708 -20.177 1.00 0.00 N ATOM 1276 CA ARG A 79 11.521 -6.732 -19.558 1.00 0.00 C ATOM 1277 C ARG A 79 11.282 -6.833 -18.053 1.00 0.00 C ATOM 1278 O ARG A 79 11.275 -7.936 -17.510 1.00 0.00 O ATOM 1279 CB ARG A 79 13.009 -6.464 -19.855 1.00 0.00 C ATOM 1280 CG ARG A 79 13.317 -6.343 -21.359 1.00 0.00 C ATOM 1281 CD ARG A 79 14.806 -6.096 -21.635 1.00 0.00 C ATOM 1282 NE ARG A 79 15.629 -7.280 -21.307 1.00 0.00 N ATOM 1283 CZ ARG A 79 16.627 -7.366 -20.442 1.00 0.00 C ATOM 1284 NH1 ARG A 79 17.029 -6.351 -19.730 1.00 0.00 N ATOM 1285 NH2 ARG A 79 17.250 -8.496 -20.275 1.00 0.00 N ATOM 0 H ARG A 79 11.131 -4.795 -20.261 1.00 0.00 H new ATOM 0 HA ARG A 79 11.242 -7.691 -19.995 1.00 0.00 H new ATOM 0 HB2 ARG A 79 13.313 -5.545 -19.354 1.00 0.00 H new ATOM 0 HB3 ARG A 79 13.608 -7.271 -19.432 1.00 0.00 H new ATOM 0 HG2 ARG A 79 13.003 -7.256 -21.866 1.00 0.00 H new ATOM 0 HG3 ARG A 79 12.732 -5.526 -21.782 1.00 0.00 H new ATOM 0 HD2 ARG A 79 14.943 -5.838 -22.685 1.00 0.00 H new ATOM 0 HD3 ARG A 79 15.148 -5.242 -21.049 1.00 0.00 H new ATOM 0 HE ARG A 79 15.399 -8.137 -21.810 1.00 0.00 H new ATOM 0 HH11 ARG A 79 16.570 -5.445 -19.828 1.00 0.00 H new ATOM 0 HH12 ARG A 79 17.803 -6.462 -19.075 1.00 0.00 H new ATOM 0 HH21 ARG A 79 16.969 -9.317 -20.811 1.00 0.00 H new ATOM 0 HH22 ARG A 79 18.019 -8.561 -19.608 1.00 0.00 H new ATOM 1299 N HIS A 80 11.011 -5.702 -17.390 1.00 0.00 N ATOM 1300 CA HIS A 80 10.558 -5.677 -15.993 1.00 0.00 C ATOM 1301 C HIS A 80 9.249 -6.471 -15.837 1.00 0.00 C ATOM 1302 O HIS A 80 9.142 -7.325 -14.958 1.00 0.00 O ATOM 1303 CB HIS A 80 10.388 -4.227 -15.496 1.00 0.00 C ATOM 1304 CG HIS A 80 11.538 -3.281 -15.778 1.00 0.00 C ATOM 1305 ND1 HIS A 80 11.447 -1.906 -15.858 1.00 0.00 N ATOM 1306 CD2 HIS A 80 12.862 -3.598 -15.949 1.00 0.00 C ATOM 1307 CE1 HIS A 80 12.674 -1.412 -16.092 1.00 0.00 C ATOM 1308 NE2 HIS A 80 13.575 -2.408 -16.155 1.00 0.00 N ATOM 0 H HIS A 80 11.100 -4.776 -17.808 1.00 0.00 H new ATOM 0 HA HIS A 80 11.321 -6.153 -15.377 1.00 0.00 H new ATOM 0 HB2 HIS A 80 9.486 -3.814 -15.948 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.222 -4.252 -14.419 1.00 0.00 H new ATOM 0 HD2 HIS A 80 13.283 -4.593 -15.928 1.00 0.00 H new ATOM 0 HE1 HIS A 80 12.904 -0.364 -16.212 1.00 0.00 H new ATOM 0 HE2 HIS A 80 14.577 -2.316 -16.320 1.00 0.00 H new ATOM 1316 N TYR A 81 8.284 -6.260 -16.742 1.00 0.00 N ATOM 1317 CA TYR A 81 6.946 -6.865 -16.735 1.00 0.00 C ATOM 1318 C TYR A 81 6.955 -8.399 -16.633 1.00 0.00 C ATOM 1319 O TYR A 81 6.074 -8.963 -15.986 1.00 0.00 O ATOM 1320 CB TYR A 81 6.203 -6.400 -17.998 1.00 0.00 C ATOM 1321 CG TYR A 81 4.688 -6.490 -17.966 1.00 0.00 C ATOM 1322 CD1 TYR A 81 4.035 -7.703 -18.261 1.00 0.00 C ATOM 1323 CD2 TYR A 81 3.927 -5.323 -17.742 1.00 0.00 C ATOM 1324 CE1 TYR A 81 2.630 -7.744 -18.356 1.00 0.00 C ATOM 1325 CE2 TYR A 81 2.525 -5.350 -17.875 1.00 0.00 C ATOM 1326 CZ TYR A 81 1.873 -6.561 -18.194 1.00 0.00 C ATOM 1327 OH TYR A 81 0.523 -6.589 -18.356 1.00 0.00 O ATOM 0 H TYR A 81 8.422 -5.634 -17.535 1.00 0.00 H new ATOM 0 HA TYR A 81 6.432 -6.529 -15.834 1.00 0.00 H new ATOM 0 HB2 TYR A 81 6.479 -5.364 -18.194 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.562 -6.990 -18.841 1.00 0.00 H new ATOM 0 HD1 TYR A 81 4.612 -8.603 -18.415 1.00 0.00 H new ATOM 0 HD2 TYR A 81 4.422 -4.404 -17.467 1.00 0.00 H new ATOM 0 HE1 TYR A 81 2.130 -8.681 -18.553 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.950 -4.447 -17.733 1.00 0.00 H new ATOM 0 HH TYR A 81 0.157 -5.692 -18.208 1.00 0.00 H new ATOM 1337 N GLU A 82 7.975 -9.077 -17.181 1.00 0.00 N ATOM 1338 CA GLU A 82 8.109 -10.541 -17.205 1.00 0.00 C ATOM 1339 C GLU A 82 8.200 -11.155 -15.804 1.00 0.00 C ATOM 1340 O GLU A 82 7.934 -12.350 -15.642 1.00 0.00 O ATOM 1341 CB GLU A 82 9.339 -10.967 -18.024 1.00 0.00 C ATOM 1342 CG GLU A 82 9.235 -10.585 -19.504 1.00 0.00 C ATOM 1343 CD GLU A 82 10.426 -11.151 -20.303 1.00 0.00 C ATOM 1344 OE1 GLU A 82 10.363 -12.327 -20.739 1.00 0.00 O ATOM 1345 OE2 GLU A 82 11.435 -10.431 -20.502 1.00 0.00 O ATOM 0 H GLU A 82 8.756 -8.604 -17.635 1.00 0.00 H new ATOM 0 HA GLU A 82 7.201 -10.917 -17.676 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.230 -10.506 -17.597 1.00 0.00 H new ATOM 0 HB3 GLU A 82 9.468 -12.046 -17.941 1.00 0.00 H new ATOM 0 HG2 GLU A 82 8.301 -10.966 -19.917 1.00 0.00 H new ATOM 0 HG3 GLU A 82 9.208 -9.500 -19.603 1.00 0.00 H new ATOM 1352 N ARG A 83 8.531 -10.343 -14.787 1.00 0.00 N ATOM 1353 CA ARG A 83 8.421 -10.759 -13.383 1.00 0.00 C ATOM 1354 C ARG A 83 7.723 -9.765 -12.458 1.00 0.00 C ATOM 1355 O ARG A 83 7.231 -10.171 -11.409 1.00 0.00 O ATOM 1356 CB ARG A 83 9.801 -11.163 -12.824 1.00 0.00 C ATOM 1357 CG ARG A 83 10.333 -12.496 -13.373 1.00 0.00 C ATOM 1358 CD ARG A 83 9.420 -13.665 -12.976 1.00 0.00 C ATOM 1359 NE ARG A 83 9.946 -14.960 -13.449 1.00 0.00 N ATOM 1360 CZ ARG A 83 9.732 -15.528 -14.625 1.00 0.00 C ATOM 1361 NH1 ARG A 83 9.030 -14.962 -15.566 1.00 0.00 N ATOM 1362 NH2 ARG A 83 10.233 -16.702 -14.883 1.00 0.00 N ATOM 0 H ARG A 83 8.878 -9.392 -14.914 1.00 0.00 H new ATOM 0 HA ARG A 83 7.761 -11.626 -13.399 1.00 0.00 H new ATOM 0 HB2 ARG A 83 10.519 -10.375 -13.053 1.00 0.00 H new ATOM 0 HB3 ARG A 83 9.736 -11.229 -11.738 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.406 -12.441 -14.459 1.00 0.00 H new ATOM 0 HG3 ARG A 83 11.340 -12.672 -12.994 1.00 0.00 H new ATOM 0 HD2 ARG A 83 9.314 -13.691 -11.891 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.424 -13.505 -13.390 1.00 0.00 H new ATOM 0 HE ARG A 83 10.540 -15.474 -12.798 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.618 -14.042 -15.412 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.892 -15.439 -16.457 1.00 0.00 H new ATOM 0 HH21 ARG A 83 10.791 -17.184 -14.178 1.00 0.00 H new ATOM 0 HH22 ARG A 83 10.068 -17.139 -15.790 1.00 0.00 H new ATOM 1376 N LEU A 84 7.621 -8.500 -12.857 1.00 0.00 N ATOM 1377 CA LEU A 84 6.978 -7.468 -12.055 1.00 0.00 C ATOM 1378 C LEU A 84 5.448 -7.605 -12.014 1.00 0.00 C ATOM 1379 O LEU A 84 4.824 -7.052 -11.111 1.00 0.00 O ATOM 1380 CB LEU A 84 7.404 -6.144 -12.703 1.00 0.00 C ATOM 1381 CG LEU A 84 6.949 -4.876 -11.987 1.00 0.00 C ATOM 1382 CD1 LEU A 84 7.646 -4.703 -10.637 1.00 0.00 C ATOM 1383 CD2 LEU A 84 7.299 -3.683 -12.879 1.00 0.00 C ATOM 0 H LEU A 84 7.984 -8.163 -13.749 1.00 0.00 H new ATOM 0 HA LEU A 84 7.283 -7.540 -11.011 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.492 -6.129 -12.772 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.019 -6.120 -13.723 1.00 0.00 H new ATOM 0 HG LEU A 84 5.877 -4.943 -11.802 1.00 0.00 H new ATOM 0 HD11 LEU A 84 7.294 -3.788 -10.160 1.00 0.00 H new ATOM 0 HD12 LEU A 84 7.418 -5.556 -9.998 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.724 -4.641 -10.789 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.985 -2.760 -12.392 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.376 -3.657 -13.046 1.00 0.00 H new ATOM 0 HD23 LEU A 84 6.786 -3.781 -13.836 1.00 0.00 H new ATOM 1395 N ILE A 85 4.854 -8.319 -12.985 1.00 0.00 N ATOM 1396 CA ILE A 85 3.391 -8.500 -13.052 1.00 0.00 C ATOM 1397 C ILE A 85 2.907 -9.624 -13.966 1.00 0.00 C ATOM 1398 O ILE A 85 1.827 -10.130 -13.699 1.00 0.00 O ATOM 1399 CB ILE A 85 2.732 -7.157 -13.428 1.00 0.00 C ATOM 1400 CG1 ILE A 85 1.262 -7.141 -12.961 1.00 0.00 C ATOM 1401 CG2 ILE A 85 2.876 -6.836 -14.917 1.00 0.00 C ATOM 1402 CD1 ILE A 85 0.601 -5.770 -13.072 1.00 0.00 C ATOM 0 H ILE A 85 5.365 -8.782 -13.737 1.00 0.00 H new ATOM 0 HA ILE A 85 3.082 -8.821 -12.057 1.00 0.00 H new ATOM 0 HB ILE A 85 3.261 -6.360 -12.905 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.694 -7.858 -13.553 1.00 0.00 H new ATOM 0 HG13 ILE A 85 1.215 -7.475 -11.924 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.396 -5.881 -15.131 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.933 -6.777 -15.176 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.402 -7.621 -15.506 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.431 -5.834 -12.726 1.00 0.00 H new ATOM 0 HD12 ILE A 85 1.145 -5.053 -12.458 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.616 -5.442 -14.111 1.00 0.00 H new ATOM 1414 N LEU A 86 3.666 -10.098 -14.958 1.00 0.00 N ATOM 1415 CA LEU A 86 3.326 -11.317 -15.708 1.00 0.00 C ATOM 1416 C LEU A 86 2.960 -12.524 -14.805 1.00 0.00 C ATOM 1417 O LEU A 86 1.969 -13.190 -15.113 1.00 0.00 O ATOM 1418 CB LEU A 86 4.461 -11.635 -16.699 1.00 0.00 C ATOM 1419 CG LEU A 86 4.195 -12.821 -17.646 1.00 0.00 C ATOM 1420 CD1 LEU A 86 3.016 -12.565 -18.587 1.00 0.00 C ATOM 1421 CD2 LEU A 86 5.435 -13.077 -18.504 1.00 0.00 C ATOM 0 H LEU A 86 4.530 -9.652 -15.265 1.00 0.00 H new ATOM 0 HA LEU A 86 2.411 -11.122 -16.268 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.655 -10.747 -17.301 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.369 -11.840 -16.132 1.00 0.00 H new ATOM 0 HG LEU A 86 3.957 -13.680 -17.019 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.871 -13.431 -19.233 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.113 -12.394 -18.001 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.223 -11.687 -19.199 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.247 -13.916 -19.174 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.661 -12.187 -19.091 1.00 0.00 H new ATOM 0 HD23 LEU A 86 6.282 -13.311 -17.859 1.00 0.00 H new ATOM 1433 N PRO A 87 3.645 -12.799 -13.667 1.00 0.00 N ATOM 1434 CA PRO A 87 3.208 -13.835 -12.722 1.00 0.00 C ATOM 1435 C PRO A 87 1.929 -13.497 -11.923 1.00 0.00 C ATOM 1436 O PRO A 87 1.412 -14.395 -11.255 1.00 0.00 O ATOM 1437 CB PRO A 87 4.408 -14.104 -11.805 1.00 0.00 C ATOM 1438 CG PRO A 87 5.189 -12.797 -11.844 1.00 0.00 C ATOM 1439 CD PRO A 87 4.962 -12.307 -13.270 1.00 0.00 C ATOM 0 HA PRO A 87 2.909 -14.722 -13.280 1.00 0.00 H new ATOM 0 HB2 PRO A 87 4.091 -14.351 -10.792 1.00 0.00 H new ATOM 0 HB3 PRO A 87 5.008 -14.940 -12.164 1.00 0.00 H new ATOM 0 HG2 PRO A 87 4.819 -12.083 -11.108 1.00 0.00 H new ATOM 0 HG3 PRO A 87 6.247 -12.952 -11.634 1.00 0.00 H new ATOM 0 HD2 PRO A 87 5.001 -11.219 -13.318 1.00 0.00 H new ATOM 0 HD3 PRO A 87 5.736 -12.684 -13.939 1.00 0.00 H new ATOM 1447 N TYR A 88 1.396 -12.265 -12.004 1.00 0.00 N ATOM 1448 CA TYR A 88 0.133 -11.897 -11.338 1.00 0.00 C ATOM 1449 C TYR A 88 -1.025 -11.528 -12.278 1.00 0.00 C ATOM 1450 O TYR A 88 -2.079 -12.143 -12.153 1.00 0.00 O ATOM 1451 CB TYR A 88 0.374 -10.849 -10.241 1.00 0.00 C ATOM 1452 CG TYR A 88 0.653 -11.461 -8.872 1.00 0.00 C ATOM 1453 CD1 TYR A 88 1.774 -12.293 -8.658 1.00 0.00 C ATOM 1454 CD2 TYR A 88 -0.244 -11.233 -7.813 1.00 0.00 C ATOM 1455 CE1 TYR A 88 1.984 -12.903 -7.406 1.00 0.00 C ATOM 1456 CE2 TYR A 88 -0.043 -11.843 -6.560 1.00 0.00 C ATOM 1457 CZ TYR A 88 1.071 -12.683 -6.353 1.00 0.00 C ATOM 1458 OH TYR A 88 1.252 -13.275 -5.141 1.00 0.00 O ATOM 0 H TYR A 88 1.824 -11.502 -12.528 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.220 -12.812 -10.863 1.00 0.00 H new ATOM 0 HB2 TYR A 88 1.216 -10.220 -10.528 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.499 -10.200 -10.170 1.00 0.00 H new ATOM 0 HD1 TYR A 88 2.476 -12.463 -9.461 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.094 -10.584 -7.962 1.00 0.00 H new ATOM 0 HE1 TYR A 88 2.843 -13.539 -7.252 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -0.743 -11.667 -5.756 1.00 0.00 H new ATOM 0 HH TYR A 88 2.210 -13.407 -4.981 1.00 0.00 H new ATOM 1468 N GLU A 89 -0.869 -10.657 -13.282 1.00 0.00 N ATOM 1469 CA GLU A 89 -1.938 -10.409 -14.279 1.00 0.00 C ATOM 1470 C GLU A 89 -2.337 -11.668 -15.083 1.00 0.00 C ATOM 1471 O GLU A 89 -3.401 -11.703 -15.701 1.00 0.00 O ATOM 1472 CB GLU A 89 -1.641 -9.180 -15.154 1.00 0.00 C ATOM 1473 CG GLU A 89 -0.490 -9.303 -16.160 1.00 0.00 C ATOM 1474 CD GLU A 89 -0.904 -10.008 -17.461 1.00 0.00 C ATOM 1475 OE1 GLU A 89 -1.763 -9.491 -18.214 1.00 0.00 O ATOM 1476 OE2 GLU A 89 -0.355 -11.091 -17.762 1.00 0.00 O ATOM 0 H GLU A 89 -0.021 -10.111 -13.432 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.834 -10.160 -13.710 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.547 -8.930 -15.705 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.426 -8.339 -14.495 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.113 -8.308 -16.396 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.330 -9.854 -15.700 1.00 0.00 H new ATOM 1483 N ARG A 90 -1.526 -12.732 -14.977 1.00 0.00 N ATOM 1484 CA ARG A 90 -1.927 -14.071 -15.446 1.00 0.00 C ATOM 1485 C ARG A 90 -3.263 -14.533 -14.853 1.00 0.00 C ATOM 1486 O ARG A 90 -3.994 -15.230 -15.553 1.00 0.00 O ATOM 1487 CB ARG A 90 -0.813 -15.121 -15.300 1.00 0.00 C ATOM 1488 CG ARG A 90 -0.243 -15.351 -13.890 1.00 0.00 C ATOM 1489 CD ARG A 90 -1.096 -16.130 -12.868 1.00 0.00 C ATOM 1490 NE ARG A 90 -1.687 -17.384 -13.381 1.00 0.00 N ATOM 1491 CZ ARG A 90 -1.066 -18.493 -13.740 1.00 0.00 C ATOM 1492 NH1 ARG A 90 0.233 -18.606 -13.741 1.00 0.00 N ATOM 1493 NH2 ARG A 90 -1.751 -19.535 -14.105 1.00 0.00 N ATOM 0 H ARG A 90 -0.591 -12.693 -14.572 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.094 -13.969 -16.518 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -1.196 -16.073 -15.669 1.00 0.00 H new ATOM 0 HB3 ARG A 90 0.010 -14.833 -15.954 1.00 0.00 H new ATOM 0 HG2 ARG A 90 0.706 -15.876 -13.998 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -0.020 -14.375 -13.460 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -0.476 -16.364 -12.002 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -1.900 -15.482 -12.518 1.00 0.00 H new ATOM 0 HE ARG A 90 -2.703 -17.394 -13.469 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.814 -17.817 -13.456 1.00 0.00 H new ATOM 0 HH12 ARG A 90 0.668 -19.483 -14.027 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -2.770 -19.497 -14.115 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -1.269 -20.390 -14.382 1.00 0.00 H new ATOM 1507 N PHE A 91 -3.667 -14.095 -13.651 1.00 0.00 N ATOM 1508 CA PHE A 91 -5.004 -14.435 -13.130 1.00 0.00 C ATOM 1509 C PHE A 91 -6.179 -13.869 -13.946 1.00 0.00 C ATOM 1510 O PHE A 91 -7.291 -14.387 -13.845 1.00 0.00 O ATOM 1511 CB PHE A 91 -5.138 -14.140 -11.619 1.00 0.00 C ATOM 1512 CG PHE A 91 -4.907 -12.719 -11.102 1.00 0.00 C ATOM 1513 CD1 PHE A 91 -5.546 -11.594 -11.672 1.00 0.00 C ATOM 1514 CD2 PHE A 91 -4.076 -12.524 -9.977 1.00 0.00 C ATOM 1515 CE1 PHE A 91 -5.291 -10.301 -11.181 1.00 0.00 C ATOM 1516 CE2 PHE A 91 -3.838 -11.234 -9.475 1.00 0.00 C ATOM 1517 CZ PHE A 91 -4.428 -10.120 -10.091 1.00 0.00 C ATOM 0 H PHE A 91 -3.102 -13.516 -13.030 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.081 -15.515 -13.259 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.142 -14.438 -11.317 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.441 -14.794 -11.096 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.236 -11.729 -12.492 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -3.618 -13.376 -9.497 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.761 -9.446 -11.644 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.200 -11.099 -8.614 1.00 0.00 H new ATOM 0 HZ PHE A 91 -4.218 -9.125 -9.726 1.00 0.00 H new ATOM 1527 N ILE A 92 -5.953 -12.849 -14.786 1.00 0.00 N ATOM 1528 CA ILE A 92 -7.027 -12.235 -15.580 1.00 0.00 C ATOM 1529 C ILE A 92 -7.396 -13.058 -16.829 1.00 0.00 C ATOM 1530 O ILE A 92 -8.504 -12.924 -17.352 1.00 0.00 O ATOM 1531 CB ILE A 92 -6.656 -10.761 -15.898 1.00 0.00 C ATOM 1532 CG1 ILE A 92 -7.909 -9.881 -15.743 1.00 0.00 C ATOM 1533 CG2 ILE A 92 -5.991 -10.573 -17.276 1.00 0.00 C ATOM 1534 CD1 ILE A 92 -7.619 -8.373 -15.769 1.00 0.00 C ATOM 0 H ILE A 92 -5.034 -12.431 -14.933 1.00 0.00 H new ATOM 0 HA ILE A 92 -7.940 -12.232 -14.985 1.00 0.00 H new ATOM 0 HB ILE A 92 -5.897 -10.449 -15.180 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -8.610 -10.120 -16.543 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -8.402 -10.130 -14.803 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -5.761 -9.519 -17.428 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -5.071 -11.155 -17.318 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -6.671 -10.912 -18.057 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -8.552 -7.821 -15.654 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -6.944 -8.118 -14.952 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.155 -8.108 -16.719 1.00 0.00 H new ATOM 1546 N LYS A 93 -6.474 -13.921 -17.285 1.00 0.00 N ATOM 1547 CA LYS A 93 -6.605 -14.610 -18.590 1.00 0.00 C ATOM 1548 C LYS A 93 -6.129 -16.071 -18.608 1.00 0.00 C ATOM 1549 O LYS A 93 -6.502 -16.817 -19.512 1.00 0.00 O ATOM 1550 CB LYS A 93 -5.874 -13.764 -19.649 1.00 0.00 C ATOM 1551 CG LYS A 93 -4.344 -13.745 -19.463 1.00 0.00 C ATOM 1552 CD LYS A 93 -3.722 -12.539 -20.174 1.00 0.00 C ATOM 1553 CE LYS A 93 -2.195 -12.621 -20.101 1.00 0.00 C ATOM 1554 NZ LYS A 93 -1.580 -11.299 -20.342 1.00 0.00 N ATOM 0 H LYS A 93 -5.626 -14.162 -16.772 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.669 -14.688 -18.811 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -6.108 -14.153 -20.640 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.251 -12.742 -19.611 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -4.103 -13.710 -18.401 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -3.914 -14.666 -19.857 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.044 -12.514 -21.215 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -4.068 -11.615 -19.711 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -1.894 -12.993 -19.122 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -1.830 -13.335 -20.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -0.544 -11.389 -20.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.877 -10.942 -21.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -1.885 -10.634 -19.603 1.00 0.00 H new