USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=26 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= 0.507 K(o=0.52,f=-4.9!) USER MOD Set 1.2: A 70 SER OG : rot 86:sc= 0.0148 USER MOD Set 2.1: A 58 LYS NZ :NH3+ -168:sc= 1.37 (180deg=0.511) USER MOD Set 2.2: A 71 THR OG1 : rot 66:sc= 0.875 USER MOD Set 3.1: A 32 GLN : amide:sc= 0.246 K(o=2.4,f=-0.59!) USER MOD Set 3.2: A 34 ASN : amide:sc= 0.89 K(o=2.4,f=-1.5!) USER MOD Set 3.3: A 37 THR OG1 : rot -11:sc= 1.31 USER MOD Set 4.1: A 12 TYR OH : rot 152:sc= 0.545 USER MOD Set 4.2: A 16 LYS NZ :NH3+ 179:sc= 0.604 (180deg=0.00179) USER MOD Single : A 1 ARG N :NH3+ -156:sc= 1.02 (180deg=0.00386!) USER MOD Single : A 5 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.19) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 130:sc= 0.615 USER MOD Single : A 15 MET CE :methyl 136:sc= 0 (180deg=-0.193) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 164:sc= 0.989 (180deg=0.838) USER MOD Single : A 38 MET CE :methyl 162:sc= -0.113 (180deg=-0.975) USER MOD Single : A 40 GLN : amide:sc= 0.729 K(o=0.73,f=0) USER MOD Single : A 43 GLN : amide:sc= 0.403 X(o=0.4,f=-0.089) USER MOD Single : A 44 LYS NZ :NH3+ -149:sc= 1.26 (180deg=1.09) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 86:sc= 0.39 USER MOD Single : A 52 THR OG1 : rot 73:sc= 1.01 USER MOD Single : A 56 GLN : amide:sc= 0.948 K(o=0.95,f=-0.043) USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot -10:sc= 0.891 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 72:sc= 0.112 USER MOD Single : A 77 THR OG1 : rot 78:sc= 0 USER MOD Single : A 80 HIS : no HE2:sc= -0.436 K(o=-0.44,f=-2) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 157:sc= 2.43 (180deg=1.56) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -6.700 1.050 -7.860 1.00 0.00 N ATOM 2 CA ARG A 1 -5.479 1.403 -7.081 1.00 0.00 C ATOM 3 C ARG A 1 -5.150 0.387 -5.985 1.00 0.00 C ATOM 4 O ARG A 1 -4.104 -0.267 -6.030 1.00 0.00 O ATOM 5 CB ARG A 1 -5.592 2.838 -6.510 1.00 0.00 C ATOM 6 CG ARG A 1 -4.326 3.332 -5.779 1.00 0.00 C ATOM 7 CD ARG A 1 -4.653 4.472 -4.807 1.00 0.00 C ATOM 8 NE ARG A 1 -5.166 5.675 -5.495 1.00 0.00 N ATOM 9 CZ ARG A 1 -4.509 6.787 -5.767 1.00 0.00 C ATOM 10 NH1 ARG A 1 -3.251 6.948 -5.475 1.00 0.00 N ATOM 11 NH2 ARG A 1 -5.120 7.780 -6.345 1.00 0.00 N ATOM 0 H1 ARG A 1 -6.656 1.499 -8.797 1.00 0.00 H new ATOM 0 H2 ARG A 1 -6.753 0.018 -7.973 1.00 0.00 H new ATOM 0 H3 ARG A 1 -7.544 1.386 -7.354 1.00 0.00 H new ATOM 0 HA ARG A 1 -4.641 1.371 -7.777 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -5.817 3.525 -7.326 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -6.434 2.876 -5.819 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -3.873 2.505 -5.233 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -3.592 3.673 -6.509 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -5.393 4.128 -4.085 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -3.757 4.734 -4.245 1.00 0.00 H new ATOM 0 HE ARG A 1 -6.141 5.642 -5.794 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -2.734 6.197 -5.018 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -2.783 7.825 -5.704 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -6.107 7.699 -6.588 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -4.612 8.639 -6.555 1.00 0.00 H new ATOM 27 N ALA A 2 -6.003 0.305 -4.960 1.00 0.00 N ATOM 28 CA ALA A 2 -5.686 -0.438 -3.737 1.00 0.00 C ATOM 29 C ALA A 2 -5.559 -1.952 -3.955 1.00 0.00 C ATOM 30 O ALA A 2 -4.723 -2.595 -3.322 1.00 0.00 O ATOM 31 CB ALA A 2 -6.753 -0.115 -2.683 1.00 0.00 C ATOM 0 H ALA A 2 -6.923 0.746 -4.953 1.00 0.00 H new ATOM 0 HA ALA A 2 -4.702 -0.119 -3.393 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.534 -0.660 -1.765 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.751 0.956 -2.479 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -7.734 -0.412 -3.055 1.00 0.00 H new ATOM 37 N ASP A 3 -6.339 -2.514 -4.878 1.00 0.00 N ATOM 38 CA ASP A 3 -6.256 -3.943 -5.217 1.00 0.00 C ATOM 39 C ASP A 3 -4.961 -4.288 -5.970 1.00 0.00 C ATOM 40 O ASP A 3 -4.355 -5.323 -5.699 1.00 0.00 O ATOM 41 CB ASP A 3 -7.471 -4.346 -6.066 1.00 0.00 C ATOM 42 CG ASP A 3 -8.786 -4.221 -5.281 1.00 0.00 C ATOM 43 OD1 ASP A 3 -9.119 -5.149 -4.506 1.00 0.00 O ATOM 44 OD2 ASP A 3 -9.493 -3.196 -5.437 1.00 0.00 O ATOM 0 H ASP A 3 -7.042 -2.001 -5.410 1.00 0.00 H new ATOM 0 HA ASP A 3 -6.250 -4.502 -4.281 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -7.518 -3.717 -6.955 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -7.349 -5.373 -6.409 1.00 0.00 H new ATOM 49 N GLU A 4 -4.502 -3.397 -6.858 1.00 0.00 N ATOM 50 CA GLU A 4 -3.245 -3.581 -7.588 1.00 0.00 C ATOM 51 C GLU A 4 -2.084 -3.536 -6.605 1.00 0.00 C ATOM 52 O GLU A 4 -1.233 -4.423 -6.587 1.00 0.00 O ATOM 53 CB GLU A 4 -3.061 -2.501 -8.664 1.00 0.00 C ATOM 54 CG GLU A 4 -4.182 -2.440 -9.714 1.00 0.00 C ATOM 55 CD GLU A 4 -5.241 -1.389 -9.344 1.00 0.00 C ATOM 56 OE1 GLU A 4 -6.000 -1.577 -8.366 1.00 0.00 O ATOM 57 OE2 GLU A 4 -5.291 -0.313 -9.981 1.00 0.00 O ATOM 0 H GLU A 4 -4.991 -2.532 -7.089 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.273 -4.549 -8.088 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.987 -1.530 -8.175 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.113 -2.674 -9.174 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.757 -2.202 -10.689 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.654 -3.419 -9.802 1.00 0.00 H new ATOM 64 N GLN A 5 -2.089 -2.538 -5.719 1.00 0.00 N ATOM 65 CA GLN A 5 -1.047 -2.407 -4.711 1.00 0.00 C ATOM 66 C GLN A 5 -1.064 -3.570 -3.718 1.00 0.00 C ATOM 67 O GLN A 5 -0.002 -4.105 -3.408 1.00 0.00 O ATOM 68 CB GLN A 5 -1.120 -1.050 -4.002 1.00 0.00 C ATOM 69 CG GLN A 5 -0.763 0.100 -4.952 1.00 0.00 C ATOM 70 CD GLN A 5 0.675 0.051 -5.468 1.00 0.00 C ATOM 71 OE1 GLN A 5 0.945 -0.281 -6.615 1.00 0.00 O ATOM 72 NE2 GLN A 5 1.655 0.374 -4.650 1.00 0.00 N ATOM 0 H GLN A 5 -2.804 -1.812 -5.683 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.089 -2.450 -5.230 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -2.124 -0.898 -3.607 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -0.439 -1.046 -3.151 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -1.445 0.081 -5.802 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -0.922 1.047 -4.437 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.448 0.653 -3.691 1.00 0.00 H new ATOM 0 HE22 GLN A 5 2.621 0.345 -4.975 1.00 0.00 H new ATOM 81 N ALA A 6 -2.237 -4.044 -3.288 1.00 0.00 N ATOM 82 CA ALA A 6 -2.336 -5.243 -2.460 1.00 0.00 C ATOM 83 C ALA A 6 -1.751 -6.476 -3.173 1.00 0.00 C ATOM 84 O ALA A 6 -0.934 -7.191 -2.585 1.00 0.00 O ATOM 85 CB ALA A 6 -3.797 -5.461 -2.051 1.00 0.00 C ATOM 0 H ALA A 6 -3.135 -3.610 -3.503 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.739 -5.099 -1.559 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -3.872 -6.356 -1.433 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -4.149 -4.598 -1.485 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.410 -5.584 -2.944 1.00 0.00 H new ATOM 91 N PHE A 7 -2.082 -6.697 -4.452 1.00 0.00 N ATOM 92 CA PHE A 7 -1.558 -7.841 -5.201 1.00 0.00 C ATOM 93 C PHE A 7 -0.094 -7.667 -5.653 1.00 0.00 C ATOM 94 O PHE A 7 0.593 -8.671 -5.860 1.00 0.00 O ATOM 95 CB PHE A 7 -2.554 -8.288 -6.292 1.00 0.00 C ATOM 96 CG PHE A 7 -2.605 -7.600 -7.652 1.00 0.00 C ATOM 97 CD1 PHE A 7 -1.483 -7.577 -8.505 1.00 0.00 C ATOM 98 CD2 PHE A 7 -3.840 -7.127 -8.145 1.00 0.00 C ATOM 99 CE1 PHE A 7 -1.584 -7.044 -9.801 1.00 0.00 C ATOM 100 CE2 PHE A 7 -3.943 -6.593 -9.443 1.00 0.00 C ATOM 101 CZ PHE A 7 -2.808 -6.539 -10.269 1.00 0.00 C ATOM 0 H PHE A 7 -2.710 -6.098 -4.987 1.00 0.00 H new ATOM 0 HA PHE A 7 -1.483 -8.687 -4.517 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -2.367 -9.346 -6.478 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -3.552 -8.212 -5.861 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -0.539 -7.972 -8.160 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -4.718 -7.176 -7.518 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -0.715 -7.023 -10.441 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -4.893 -6.226 -9.803 1.00 0.00 H new ATOM 0 HZ PHE A 7 -2.876 -6.112 -11.258 1.00 0.00 H new ATOM 111 N LEU A 8 0.439 -6.433 -5.679 1.00 0.00 N ATOM 112 CA LEU A 8 1.877 -6.274 -5.951 1.00 0.00 C ATOM 113 C LEU A 8 2.706 -6.305 -4.658 1.00 0.00 C ATOM 114 O LEU A 8 3.875 -6.676 -4.714 1.00 0.00 O ATOM 115 CB LEU A 8 2.147 -4.977 -6.742 1.00 0.00 C ATOM 116 CG LEU A 8 2.736 -5.213 -8.142 1.00 0.00 C ATOM 117 CD1 LEU A 8 4.133 -5.836 -8.068 1.00 0.00 C ATOM 118 CD2 LEU A 8 1.804 -6.042 -9.025 1.00 0.00 C ATOM 0 H LEU A 8 -0.077 -5.567 -5.523 1.00 0.00 H new ATOM 0 HA LEU A 8 2.189 -7.121 -6.562 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.214 -4.422 -6.840 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.832 -4.351 -6.171 1.00 0.00 H new ATOM 0 HG LEU A 8 2.835 -4.234 -8.611 1.00 0.00 H new ATOM 0 HD11 LEU A 8 4.517 -5.988 -9.077 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.800 -5.169 -7.522 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.077 -6.795 -7.553 1.00 0.00 H new ATOM 0 HD21 LEU A 8 2.261 -6.184 -10.004 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.632 -7.013 -8.561 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.853 -5.521 -9.140 1.00 0.00 H new ATOM 130 N VAL A 9 2.115 -5.977 -3.500 1.00 0.00 N ATOM 131 CA VAL A 9 2.764 -6.250 -2.199 1.00 0.00 C ATOM 132 C VAL A 9 2.828 -7.766 -1.950 1.00 0.00 C ATOM 133 O VAL A 9 3.861 -8.289 -1.527 1.00 0.00 O ATOM 134 CB VAL A 9 2.051 -5.504 -1.051 1.00 0.00 C ATOM 135 CG1 VAL A 9 2.469 -5.985 0.346 1.00 0.00 C ATOM 136 CG2 VAL A 9 2.378 -4.006 -1.120 1.00 0.00 C ATOM 0 H VAL A 9 1.202 -5.528 -3.432 1.00 0.00 H new ATOM 0 HA VAL A 9 3.786 -5.872 -2.230 1.00 0.00 H new ATOM 0 HB VAL A 9 0.988 -5.705 -1.187 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.928 -5.417 1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.235 -7.044 0.451 1.00 0.00 H new ATOM 0 HG13 VAL A 9 3.541 -5.836 0.477 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.872 -3.485 -0.307 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.455 -3.864 -1.027 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.040 -3.603 -2.075 1.00 0.00 H new ATOM 146 N ALA A 10 1.750 -8.479 -2.286 1.00 0.00 N ATOM 147 CA ALA A 10 1.729 -9.944 -2.238 1.00 0.00 C ATOM 148 C ALA A 10 2.772 -10.586 -3.178 1.00 0.00 C ATOM 149 O ALA A 10 3.546 -11.448 -2.740 1.00 0.00 O ATOM 150 CB ALA A 10 0.309 -10.432 -2.547 1.00 0.00 C ATOM 0 H ALA A 10 0.873 -8.061 -2.597 1.00 0.00 H new ATOM 0 HA ALA A 10 2.011 -10.260 -1.234 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.283 -11.521 -2.514 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.383 -10.030 -1.807 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.016 -10.092 -3.540 1.00 0.00 H new ATOM 156 N LEU A 11 2.864 -10.128 -4.437 1.00 0.00 N ATOM 157 CA LEU A 11 3.947 -10.574 -5.319 1.00 0.00 C ATOM 158 C LEU A 11 5.333 -10.147 -4.811 1.00 0.00 C ATOM 159 O LEU A 11 6.235 -10.973 -4.833 1.00 0.00 O ATOM 160 CB LEU A 11 3.716 -10.115 -6.761 1.00 0.00 C ATOM 161 CG LEU A 11 4.818 -10.599 -7.731 1.00 0.00 C ATOM 162 CD1 LEU A 11 4.948 -12.115 -7.872 1.00 0.00 C ATOM 163 CD2 LEU A 11 4.507 -10.033 -9.106 1.00 0.00 C ATOM 0 H LEU A 11 2.215 -9.463 -4.858 1.00 0.00 H new ATOM 0 HA LEU A 11 3.932 -11.664 -5.307 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.750 -10.484 -7.104 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.669 -9.026 -6.787 1.00 0.00 H new ATOM 0 HG LEU A 11 5.762 -10.252 -7.312 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.748 -12.348 -8.574 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.179 -12.552 -6.901 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.009 -12.528 -8.242 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.269 -10.358 -9.814 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.531 -10.390 -9.434 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.497 -8.944 -9.058 1.00 0.00 H new ATOM 175 N TYR A 12 5.527 -8.922 -4.311 1.00 0.00 N ATOM 176 CA TYR A 12 6.793 -8.490 -3.696 1.00 0.00 C ATOM 177 C TYR A 12 7.263 -9.474 -2.617 1.00 0.00 C ATOM 178 O TYR A 12 8.429 -9.883 -2.635 1.00 0.00 O ATOM 179 CB TYR A 12 6.660 -7.064 -3.132 1.00 0.00 C ATOM 180 CG TYR A 12 7.578 -6.739 -1.964 1.00 0.00 C ATOM 181 CD1 TYR A 12 8.969 -6.649 -2.157 1.00 0.00 C ATOM 182 CD2 TYR A 12 7.039 -6.579 -0.672 1.00 0.00 C ATOM 183 CE1 TYR A 12 9.822 -6.377 -1.069 1.00 0.00 C ATOM 184 CE2 TYR A 12 7.887 -6.318 0.421 1.00 0.00 C ATOM 185 CZ TYR A 12 9.280 -6.212 0.225 1.00 0.00 C ATOM 186 OH TYR A 12 10.094 -5.988 1.294 1.00 0.00 O ATOM 0 H TYR A 12 4.809 -8.197 -4.320 1.00 0.00 H new ATOM 0 HA TYR A 12 7.556 -8.480 -4.474 1.00 0.00 H new ATOM 0 HB2 TYR A 12 6.856 -6.354 -3.935 1.00 0.00 H new ATOM 0 HB3 TYR A 12 5.628 -6.911 -2.815 1.00 0.00 H new ATOM 0 HD1 TYR A 12 9.385 -6.789 -3.144 1.00 0.00 H new ATOM 0 HD2 TYR A 12 5.973 -6.657 -0.520 1.00 0.00 H new ATOM 0 HE1 TYR A 12 10.888 -6.295 -1.224 1.00 0.00 H new ATOM 0 HE2 TYR A 12 7.471 -6.199 1.410 1.00 0.00 H new ATOM 0 HH TYR A 12 9.609 -5.472 1.972 1.00 0.00 H new ATOM 196 N LYS A 13 6.352 -9.920 -1.736 1.00 0.00 N ATOM 197 CA LYS A 13 6.642 -10.982 -0.767 1.00 0.00 C ATOM 198 C LYS A 13 7.054 -12.272 -1.474 1.00 0.00 C ATOM 199 O LYS A 13 8.163 -12.744 -1.231 1.00 0.00 O ATOM 200 CB LYS A 13 5.452 -11.164 0.193 1.00 0.00 C ATOM 201 CG LYS A 13 5.786 -12.120 1.351 1.00 0.00 C ATOM 202 CD LYS A 13 4.590 -12.382 2.279 1.00 0.00 C ATOM 203 CE LYS A 13 4.123 -11.116 3.015 1.00 0.00 C ATOM 204 NZ LYS A 13 3.012 -11.413 3.957 1.00 0.00 N ATOM 0 H LYS A 13 5.401 -9.555 -1.678 1.00 0.00 H new ATOM 0 HA LYS A 13 7.497 -10.691 -0.157 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.160 -10.194 0.596 1.00 0.00 H new ATOM 0 HB3 LYS A 13 4.596 -11.550 -0.360 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.136 -13.068 0.942 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.606 -11.702 1.934 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.762 -12.784 1.694 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.862 -13.143 3.010 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.960 -10.682 3.563 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.797 -10.371 2.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.721 -10.538 4.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 2.205 -11.804 3.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.332 -12.105 4.664 1.00 0.00 H new ATOM 218 N TYR A 14 6.253 -12.803 -2.405 1.00 0.00 N ATOM 219 CA TYR A 14 6.659 -13.986 -3.180 1.00 0.00 C ATOM 220 C TYR A 14 7.996 -13.844 -3.949 1.00 0.00 C ATOM 221 O TYR A 14 8.709 -14.828 -4.132 1.00 0.00 O ATOM 222 CB TYR A 14 5.496 -14.342 -4.119 1.00 0.00 C ATOM 223 CG TYR A 14 5.587 -15.690 -4.813 1.00 0.00 C ATOM 224 CD1 TYR A 14 5.669 -16.874 -4.051 1.00 0.00 C ATOM 225 CD2 TYR A 14 5.516 -15.767 -6.219 1.00 0.00 C ATOM 226 CE1 TYR A 14 5.692 -18.129 -4.690 1.00 0.00 C ATOM 227 CE2 TYR A 14 5.523 -17.020 -6.859 1.00 0.00 C ATOM 228 CZ TYR A 14 5.612 -18.203 -6.097 1.00 0.00 C ATOM 229 OH TYR A 14 5.659 -19.406 -6.731 1.00 0.00 O ATOM 0 H TYR A 14 5.330 -12.439 -2.640 1.00 0.00 H new ATOM 0 HA TYR A 14 6.865 -14.792 -2.475 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.570 -14.314 -3.545 1.00 0.00 H new ATOM 0 HB3 TYR A 14 5.422 -13.567 -4.882 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.714 -16.818 -2.973 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.456 -14.862 -6.806 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.771 -19.033 -4.104 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.460 -17.076 -7.936 1.00 0.00 H new ATOM 0 HH TYR A 14 4.914 -19.471 -7.364 1.00 0.00 H new ATOM 239 N MET A 15 8.380 -12.630 -4.354 1.00 0.00 N ATOM 240 CA MET A 15 9.628 -12.344 -5.071 1.00 0.00 C ATOM 241 C MET A 15 10.862 -12.348 -4.164 1.00 0.00 C ATOM 242 O MET A 15 11.867 -12.980 -4.512 1.00 0.00 O ATOM 243 CB MET A 15 9.528 -11.014 -5.816 1.00 0.00 C ATOM 244 CG MET A 15 8.633 -11.210 -7.034 1.00 0.00 C ATOM 245 SD MET A 15 8.526 -9.776 -8.140 1.00 0.00 S ATOM 246 CE MET A 15 10.184 -9.866 -8.865 1.00 0.00 C ATOM 0 H MET A 15 7.817 -11.796 -4.188 1.00 0.00 H new ATOM 0 HA MET A 15 9.761 -13.156 -5.786 1.00 0.00 H new ATOM 0 HB2 MET A 15 9.117 -10.244 -5.163 1.00 0.00 H new ATOM 0 HB3 MET A 15 10.518 -10.676 -6.123 1.00 0.00 H new ATOM 0 HG2 MET A 15 9.001 -12.063 -7.604 1.00 0.00 H new ATOM 0 HG3 MET A 15 7.629 -11.463 -6.693 1.00 0.00 H new ATOM 0 HE1 MET A 15 10.120 -9.707 -9.941 1.00 0.00 H new ATOM 0 HE2 MET A 15 10.817 -9.097 -8.422 1.00 0.00 H new ATOM 0 HE3 MET A 15 10.614 -10.848 -8.668 1.00 0.00 H new ATOM 256 N LYS A 16 10.800 -11.717 -2.979 1.00 0.00 N ATOM 257 CA LYS A 16 11.859 -11.878 -1.959 1.00 0.00 C ATOM 258 C LYS A 16 11.868 -13.289 -1.349 1.00 0.00 C ATOM 259 O LYS A 16 12.893 -13.727 -0.829 1.00 0.00 O ATOM 260 CB LYS A 16 11.821 -10.755 -0.909 1.00 0.00 C ATOM 261 CG LYS A 16 10.608 -10.766 0.032 1.00 0.00 C ATOM 262 CD LYS A 16 10.728 -9.629 1.056 1.00 0.00 C ATOM 263 CE LYS A 16 9.471 -9.530 1.928 1.00 0.00 C ATOM 264 NZ LYS A 16 9.604 -8.451 2.943 1.00 0.00 N ATOM 0 H LYS A 16 10.039 -11.097 -2.703 1.00 0.00 H new ATOM 0 HA LYS A 16 12.818 -11.775 -2.468 1.00 0.00 H new ATOM 0 HB2 LYS A 16 12.727 -10.816 -0.306 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.847 -9.797 -1.427 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.690 -10.652 -0.544 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.545 -11.725 0.547 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.600 -9.797 1.689 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.888 -8.684 0.537 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.603 -9.335 1.298 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.296 -10.483 2.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.732 -8.396 3.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.409 -8.660 3.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.764 -7.542 2.464 1.00 0.00 H new ATOM 278 N GLU A 17 10.760 -14.020 -1.500 1.00 0.00 N ATOM 279 CA GLU A 17 10.705 -15.457 -1.154 1.00 0.00 C ATOM 280 C GLU A 17 11.326 -16.359 -2.244 1.00 0.00 C ATOM 281 O GLU A 17 11.473 -17.566 -2.031 1.00 0.00 O ATOM 282 CB GLU A 17 9.263 -15.889 -0.827 1.00 0.00 C ATOM 283 CG GLU A 17 8.777 -15.408 0.549 1.00 0.00 C ATOM 284 CD GLU A 17 9.399 -16.232 1.694 1.00 0.00 C ATOM 285 OE1 GLU A 17 8.847 -17.304 2.047 1.00 0.00 O ATOM 286 OE2 GLU A 17 10.439 -15.814 2.258 1.00 0.00 O ATOM 0 H GLU A 17 9.882 -13.645 -1.860 1.00 0.00 H new ATOM 0 HA GLU A 17 11.316 -15.589 -0.261 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.593 -15.503 -1.596 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.200 -16.976 -0.866 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.032 -14.356 0.678 1.00 0.00 H new ATOM 0 HG3 GLU A 17 7.690 -15.481 0.597 1.00 0.00 H new ATOM 293 N ARG A 18 11.740 -15.770 -3.380 1.00 0.00 N ATOM 294 CA ARG A 18 12.459 -16.493 -4.444 1.00 0.00 C ATOM 295 C ARG A 18 13.954 -16.176 -4.421 1.00 0.00 C ATOM 296 O ARG A 18 14.739 -16.991 -3.935 1.00 0.00 O ATOM 297 CB ARG A 18 11.788 -16.204 -5.801 1.00 0.00 C ATOM 298 CG ARG A 18 10.511 -17.036 -5.978 1.00 0.00 C ATOM 299 CD ARG A 18 9.627 -16.444 -7.078 1.00 0.00 C ATOM 300 NE ARG A 18 8.614 -17.418 -7.525 1.00 0.00 N ATOM 301 CZ ARG A 18 8.702 -18.260 -8.543 1.00 0.00 C ATOM 302 NH1 ARG A 18 9.733 -18.288 -9.340 1.00 0.00 N ATOM 303 NH2 ARG A 18 7.745 -19.108 -8.782 1.00 0.00 N ATOM 0 H ARG A 18 11.586 -14.783 -3.586 1.00 0.00 H new ATOM 0 HA ARG A 18 12.392 -17.567 -4.270 1.00 0.00 H new ATOM 0 HB2 ARG A 18 11.547 -15.143 -5.872 1.00 0.00 H new ATOM 0 HB3 ARG A 18 12.485 -16.427 -6.609 1.00 0.00 H new ATOM 0 HG2 ARG A 18 10.773 -18.064 -6.229 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.959 -17.068 -5.039 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.134 -15.545 -6.708 1.00 0.00 H new ATOM 0 HD3 ARG A 18 10.245 -16.143 -7.924 1.00 0.00 H new ATOM 0 HE ARG A 18 7.747 -17.446 -6.989 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.511 -17.645 -9.190 1.00 0.00 H new ATOM 0 HH12 ARG A 18 9.762 -18.953 -10.113 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.919 -19.127 -8.183 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.820 -19.753 -9.568 1.00 0.00 H new ATOM 317 N LYS A 19 14.323 -14.999 -4.937 1.00 0.00 N ATOM 318 CA LYS A 19 15.706 -14.504 -5.169 1.00 0.00 C ATOM 319 C LYS A 19 15.750 -13.134 -5.871 1.00 0.00 C ATOM 320 O LYS A 19 16.797 -12.728 -6.378 1.00 0.00 O ATOM 321 CB LYS A 19 16.539 -15.536 -5.971 1.00 0.00 C ATOM 322 CG LYS A 19 15.912 -15.972 -7.310 1.00 0.00 C ATOM 323 CD LYS A 19 16.856 -16.843 -8.154 1.00 0.00 C ATOM 324 CE LYS A 19 17.199 -18.173 -7.468 1.00 0.00 C ATOM 325 NZ LYS A 19 18.087 -19.012 -8.316 1.00 0.00 N ATOM 0 H LYS A 19 13.626 -14.313 -5.227 1.00 0.00 H new ATOM 0 HA LYS A 19 16.146 -14.372 -4.181 1.00 0.00 H new ATOM 0 HB2 LYS A 19 17.524 -15.113 -6.168 1.00 0.00 H new ATOM 0 HB3 LYS A 19 16.690 -16.420 -5.352 1.00 0.00 H new ATOM 0 HG2 LYS A 19 14.994 -16.525 -7.113 1.00 0.00 H new ATOM 0 HG3 LYS A 19 15.634 -15.086 -7.881 1.00 0.00 H new ATOM 0 HD2 LYS A 19 16.393 -17.045 -9.120 1.00 0.00 H new ATOM 0 HD3 LYS A 19 17.775 -16.292 -8.351 1.00 0.00 H new ATOM 0 HE2 LYS A 19 17.686 -17.976 -6.513 1.00 0.00 H new ATOM 0 HE3 LYS A 19 16.281 -18.718 -7.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 18.299 -19.903 -7.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 17.611 -19.220 -9.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 18.973 -18.501 -8.503 1.00 0.00 H new ATOM 339 N THR A 20 14.625 -12.417 -5.903 1.00 0.00 N ATOM 340 CA THR A 20 14.463 -11.258 -6.789 1.00 0.00 C ATOM 341 C THR A 20 13.919 -10.038 -6.019 1.00 0.00 C ATOM 342 O THR A 20 12.767 -9.658 -6.229 1.00 0.00 O ATOM 343 CB THR A 20 13.550 -11.708 -7.955 1.00 0.00 C ATOM 344 OG1 THR A 20 13.976 -12.944 -8.498 1.00 0.00 O ATOM 345 CG2 THR A 20 13.504 -10.751 -9.141 1.00 0.00 C ATOM 0 H THR A 20 13.809 -12.618 -5.324 1.00 0.00 H new ATOM 0 HA THR A 20 15.420 -10.926 -7.191 1.00 0.00 H new ATOM 0 HB THR A 20 12.566 -11.760 -7.488 1.00 0.00 H new ATOM 0 HG1 THR A 20 13.379 -13.202 -9.231 1.00 0.00 H new ATOM 0 HG21 THR A 20 12.839 -11.152 -9.906 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.134 -9.780 -8.811 1.00 0.00 H new ATOM 0 HG23 THR A 20 14.506 -10.636 -9.555 1.00 0.00 H new ATOM 353 N PRO A 21 14.699 -9.424 -5.095 1.00 0.00 N ATOM 354 CA PRO A 21 14.344 -8.158 -4.440 1.00 0.00 C ATOM 355 C PRO A 21 13.814 -7.121 -5.439 1.00 0.00 C ATOM 356 O PRO A 21 14.480 -6.815 -6.432 1.00 0.00 O ATOM 357 CB PRO A 21 15.617 -7.674 -3.735 1.00 0.00 C ATOM 358 CG PRO A 21 16.361 -8.973 -3.442 1.00 0.00 C ATOM 359 CD PRO A 21 16.020 -9.851 -4.645 1.00 0.00 C ATOM 0 HA PRO A 21 13.532 -8.303 -3.728 1.00 0.00 H new ATOM 0 HB2 PRO A 21 16.202 -7.008 -4.370 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.389 -7.125 -2.822 1.00 0.00 H new ATOM 0 HG2 PRO A 21 17.435 -8.810 -3.354 1.00 0.00 H new ATOM 0 HG3 PRO A 21 16.029 -9.425 -2.507 1.00 0.00 H new ATOM 0 HD2 PRO A 21 16.759 -9.731 -5.437 1.00 0.00 H new ATOM 0 HD3 PRO A 21 16.016 -10.906 -4.369 1.00 0.00 H new ATOM 367 N ILE A 22 12.603 -6.609 -5.198 1.00 0.00 N ATOM 368 CA ILE A 22 11.878 -5.803 -6.194 1.00 0.00 C ATOM 369 C ILE A 22 12.610 -4.514 -6.599 1.00 0.00 C ATOM 370 O ILE A 22 12.532 -4.102 -7.756 1.00 0.00 O ATOM 371 CB ILE A 22 10.421 -5.577 -5.729 1.00 0.00 C ATOM 372 CG1 ILE A 22 9.498 -5.231 -6.916 1.00 0.00 C ATOM 373 CG2 ILE A 22 10.321 -4.528 -4.606 1.00 0.00 C ATOM 374 CD1 ILE A 22 8.006 -5.385 -6.582 1.00 0.00 C ATOM 0 H ILE A 22 12.100 -6.737 -4.320 1.00 0.00 H new ATOM 0 HA ILE A 22 11.844 -6.372 -7.123 1.00 0.00 H new ATOM 0 HB ILE A 22 10.074 -6.520 -5.306 1.00 0.00 H new ATOM 0 HG12 ILE A 22 9.690 -4.205 -7.231 1.00 0.00 H new ATOM 0 HG13 ILE A 22 9.744 -5.875 -7.760 1.00 0.00 H new ATOM 0 HG21 ILE A 22 9.278 -4.405 -4.314 1.00 0.00 H new ATOM 0 HG22 ILE A 22 10.902 -4.860 -3.745 1.00 0.00 H new ATOM 0 HG23 ILE A 22 10.713 -3.575 -4.962 1.00 0.00 H new ATOM 0 HD11 ILE A 22 7.409 -5.127 -7.457 1.00 0.00 H new ATOM 0 HD12 ILE A 22 7.802 -6.416 -6.294 1.00 0.00 H new ATOM 0 HD13 ILE A 22 7.747 -4.721 -5.758 1.00 0.00 H new ATOM 386 N GLU A 23 13.390 -3.921 -5.690 1.00 0.00 N ATOM 387 CA GLU A 23 14.153 -2.695 -5.978 1.00 0.00 C ATOM 388 C GLU A 23 15.271 -2.829 -7.035 1.00 0.00 C ATOM 389 O GLU A 23 15.875 -1.821 -7.409 1.00 0.00 O ATOM 390 CB GLU A 23 14.762 -2.145 -4.671 1.00 0.00 C ATOM 391 CG GLU A 23 13.774 -1.986 -3.499 1.00 0.00 C ATOM 392 CD GLU A 23 13.851 -3.163 -2.503 1.00 0.00 C ATOM 393 OE1 GLU A 23 13.543 -4.315 -2.893 1.00 0.00 O ATOM 394 OE2 GLU A 23 14.222 -2.940 -1.324 1.00 0.00 O ATOM 0 H GLU A 23 13.512 -4.271 -4.740 1.00 0.00 H new ATOM 0 HA GLU A 23 13.424 -2.011 -6.413 1.00 0.00 H new ATOM 0 HB2 GLU A 23 15.568 -2.809 -4.358 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.212 -1.174 -4.880 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.984 -1.054 -2.974 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.759 -1.910 -3.890 1.00 0.00 H new ATOM 401 N ARG A 24 15.555 -4.039 -7.546 1.00 0.00 N ATOM 402 CA ARG A 24 16.447 -4.253 -8.708 1.00 0.00 C ATOM 403 C ARG A 24 15.999 -3.519 -9.981 1.00 0.00 C ATOM 404 O ARG A 24 16.808 -3.278 -10.878 1.00 0.00 O ATOM 405 CB ARG A 24 16.606 -5.760 -8.973 1.00 0.00 C ATOM 406 CG ARG A 24 15.348 -6.444 -9.551 1.00 0.00 C ATOM 407 CD ARG A 24 15.368 -7.977 -9.398 1.00 0.00 C ATOM 408 NE ARG A 24 16.564 -8.601 -10.002 1.00 0.00 N ATOM 409 CZ ARG A 24 17.631 -9.068 -9.375 1.00 0.00 C ATOM 410 NH1 ARG A 24 17.783 -8.961 -8.085 1.00 0.00 N ATOM 411 NH2 ARG A 24 18.580 -9.657 -10.042 1.00 0.00 N ATOM 0 H ARG A 24 15.172 -4.904 -7.165 1.00 0.00 H new ATOM 0 HA ARG A 24 17.411 -3.818 -8.445 1.00 0.00 H new ATOM 0 HB2 ARG A 24 17.435 -5.909 -9.664 1.00 0.00 H new ATOM 0 HB3 ARG A 24 16.876 -6.254 -8.040 1.00 0.00 H new ATOM 0 HG2 ARG A 24 14.464 -6.047 -9.052 1.00 0.00 H new ATOM 0 HG3 ARG A 24 15.258 -6.192 -10.608 1.00 0.00 H new ATOM 0 HD2 ARG A 24 15.327 -8.232 -8.339 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.474 -8.395 -9.861 1.00 0.00 H new ATOM 0 HE ARG A 24 16.567 -8.681 -11.019 1.00 0.00 H new ATOM 0 HH11 ARG A 24 17.065 -8.504 -7.523 1.00 0.00 H new ATOM 0 HH12 ARG A 24 18.620 -9.334 -7.637 1.00 0.00 H new ATOM 0 HH21 ARG A 24 18.504 -9.761 -11.054 1.00 0.00 H new ATOM 0 HH22 ARG A 24 19.400 -10.015 -9.553 1.00 0.00 H new ATOM 425 N ILE A 25 14.710 -3.193 -10.061 1.00 0.00 N ATOM 426 CA ILE A 25 14.069 -2.473 -11.164 1.00 0.00 C ATOM 427 C ILE A 25 14.649 -1.046 -11.356 1.00 0.00 C ATOM 428 O ILE A 25 14.954 -0.374 -10.363 1.00 0.00 O ATOM 429 CB ILE A 25 12.547 -2.481 -10.890 1.00 0.00 C ATOM 430 CG1 ILE A 25 11.750 -2.226 -12.177 1.00 0.00 C ATOM 431 CG2 ILE A 25 12.127 -1.519 -9.760 1.00 0.00 C ATOM 432 CD1 ILE A 25 10.281 -2.621 -12.034 1.00 0.00 C ATOM 0 H ILE A 25 14.050 -3.435 -9.322 1.00 0.00 H new ATOM 0 HA ILE A 25 14.272 -2.970 -12.113 1.00 0.00 H new ATOM 0 HB ILE A 25 12.304 -3.482 -10.534 1.00 0.00 H new ATOM 0 HG12 ILE A 25 11.817 -1.170 -12.440 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.197 -2.788 -12.997 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.048 -1.573 -9.619 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.629 -1.803 -8.835 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.407 -0.500 -10.027 1.00 0.00 H new ATOM 0 HD11 ILE A 25 9.758 -2.422 -12.970 1.00 0.00 H new ATOM 0 HD12 ILE A 25 10.211 -3.683 -11.798 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.824 -2.040 -11.233 1.00 0.00 H new ATOM 444 N PRO A 26 14.808 -0.552 -12.602 1.00 0.00 N ATOM 445 CA PRO A 26 15.153 0.845 -12.882 1.00 0.00 C ATOM 446 C PRO A 26 13.934 1.781 -12.692 1.00 0.00 C ATOM 447 O PRO A 26 12.904 1.371 -12.154 1.00 0.00 O ATOM 448 CB PRO A 26 15.696 0.806 -14.316 1.00 0.00 C ATOM 449 CG PRO A 26 14.842 -0.269 -14.977 1.00 0.00 C ATOM 450 CD PRO A 26 14.697 -1.292 -13.853 1.00 0.00 C ATOM 0 HA PRO A 26 15.892 1.258 -12.195 1.00 0.00 H new ATOM 0 HB2 PRO A 26 15.589 1.769 -14.814 1.00 0.00 H new ATOM 0 HB3 PRO A 26 16.755 0.551 -14.340 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.877 0.119 -15.303 1.00 0.00 H new ATOM 0 HG3 PRO A 26 15.328 -0.694 -15.855 1.00 0.00 H new ATOM 0 HD2 PRO A 26 13.737 -1.804 -13.917 1.00 0.00 H new ATOM 0 HD3 PRO A 26 15.471 -2.056 -13.922 1.00 0.00 H new ATOM 458 N TYR A 27 14.042 3.040 -13.130 1.00 0.00 N ATOM 459 CA TYR A 27 12.961 4.031 -12.974 1.00 0.00 C ATOM 460 C TYR A 27 12.146 4.219 -14.266 1.00 0.00 C ATOM 461 O TYR A 27 12.638 3.988 -15.373 1.00 0.00 O ATOM 462 CB TYR A 27 13.561 5.369 -12.514 1.00 0.00 C ATOM 463 CG TYR A 27 14.166 5.316 -11.122 1.00 0.00 C ATOM 464 CD1 TYR A 27 13.345 5.525 -9.997 1.00 0.00 C ATOM 465 CD2 TYR A 27 15.537 5.038 -10.950 1.00 0.00 C ATOM 466 CE1 TYR A 27 13.888 5.451 -8.699 1.00 0.00 C ATOM 467 CE2 TYR A 27 16.084 4.963 -9.655 1.00 0.00 C ATOM 468 CZ TYR A 27 15.261 5.167 -8.525 1.00 0.00 C ATOM 469 OH TYR A 27 15.799 5.090 -7.276 1.00 0.00 O ATOM 0 H TYR A 27 14.872 3.403 -13.599 1.00 0.00 H new ATOM 0 HA TYR A 27 12.268 3.657 -12.220 1.00 0.00 H new ATOM 0 HB2 TYR A 27 14.329 5.677 -13.224 1.00 0.00 H new ATOM 0 HB3 TYR A 27 12.784 6.133 -12.535 1.00 0.00 H new ATOM 0 HD1 TYR A 27 12.296 5.743 -10.130 1.00 0.00 H new ATOM 0 HD2 TYR A 27 16.168 4.882 -11.812 1.00 0.00 H new ATOM 0 HE1 TYR A 27 13.256 5.611 -7.838 1.00 0.00 H new ATOM 0 HE2 TYR A 27 17.135 4.749 -9.525 1.00 0.00 H new ATOM 0 HH TYR A 27 16.755 4.886 -7.344 1.00 0.00 H new ATOM 479 N LEU A 28 10.908 4.708 -14.131 1.00 0.00 N ATOM 480 CA LEU A 28 9.963 4.985 -15.226 1.00 0.00 C ATOM 481 C LEU A 28 10.235 6.354 -15.903 1.00 0.00 C ATOM 482 O LEU A 28 9.311 7.106 -16.214 1.00 0.00 O ATOM 483 CB LEU A 28 8.532 4.865 -14.652 1.00 0.00 C ATOM 484 CG LEU A 28 7.409 4.633 -15.682 1.00 0.00 C ATOM 485 CD1 LEU A 28 7.519 3.286 -16.395 1.00 0.00 C ATOM 486 CD2 LEU A 28 6.051 4.665 -14.975 1.00 0.00 C ATOM 0 H LEU A 28 10.517 4.932 -13.216 1.00 0.00 H new ATOM 0 HA LEU A 28 10.091 4.257 -16.027 1.00 0.00 H new ATOM 0 HB2 LEU A 28 8.517 4.043 -13.936 1.00 0.00 H new ATOM 0 HB3 LEU A 28 8.307 5.776 -14.097 1.00 0.00 H new ATOM 0 HG LEU A 28 7.505 5.426 -16.423 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.700 3.183 -17.107 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.470 3.232 -16.925 1.00 0.00 H new ATOM 0 HD13 LEU A 28 7.466 2.481 -15.662 1.00 0.00 H new ATOM 0 HD21 LEU A 28 5.257 4.501 -15.704 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.016 3.881 -14.218 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.911 5.636 -14.499 1.00 0.00 H new ATOM 498 N GLY A 29 11.511 6.735 -16.033 1.00 0.00 N ATOM 499 CA GLY A 29 11.909 8.034 -16.600 1.00 0.00 C ATOM 500 C GLY A 29 11.798 9.194 -15.603 1.00 0.00 C ATOM 501 O GLY A 29 12.723 10.000 -15.486 1.00 0.00 O ATOM 0 H GLY A 29 12.299 6.153 -15.749 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.937 7.967 -16.955 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.285 8.250 -17.468 1.00 0.00 H new ATOM 505 N PHE A 30 10.701 9.239 -14.840 1.00 0.00 N ATOM 506 CA PHE A 30 10.453 10.234 -13.787 1.00 0.00 C ATOM 507 C PHE A 30 9.718 9.687 -12.540 1.00 0.00 C ATOM 508 O PHE A 30 9.528 10.420 -11.567 1.00 0.00 O ATOM 509 CB PHE A 30 9.687 11.408 -14.430 1.00 0.00 C ATOM 510 CG PHE A 30 9.547 12.657 -13.576 1.00 0.00 C ATOM 511 CD1 PHE A 30 10.679 13.443 -13.288 1.00 0.00 C ATOM 512 CD2 PHE A 30 8.285 13.042 -13.079 1.00 0.00 C ATOM 513 CE1 PHE A 30 10.552 14.604 -12.503 1.00 0.00 C ATOM 514 CE2 PHE A 30 8.159 14.203 -12.294 1.00 0.00 C ATOM 515 CZ PHE A 30 9.293 14.984 -12.005 1.00 0.00 C ATOM 0 H PHE A 30 9.940 8.567 -14.939 1.00 0.00 H new ATOM 0 HA PHE A 30 11.417 10.557 -13.394 1.00 0.00 H new ATOM 0 HB2 PHE A 30 10.191 11.680 -15.358 1.00 0.00 H new ATOM 0 HB3 PHE A 30 8.689 11.062 -14.699 1.00 0.00 H new ATOM 0 HD1 PHE A 30 11.647 13.154 -13.670 1.00 0.00 H new ATOM 0 HD2 PHE A 30 7.413 12.445 -13.301 1.00 0.00 H new ATOM 0 HE1 PHE A 30 11.423 15.204 -12.283 1.00 0.00 H new ATOM 0 HE2 PHE A 30 7.191 14.495 -11.913 1.00 0.00 H new ATOM 0 HZ PHE A 30 9.197 15.874 -11.401 1.00 0.00 H new ATOM 525 N LYS A 31 9.322 8.401 -12.541 1.00 0.00 N ATOM 526 CA LYS A 31 8.506 7.810 -11.456 1.00 0.00 C ATOM 527 C LYS A 31 9.091 6.481 -10.966 1.00 0.00 C ATOM 528 O LYS A 31 9.808 5.792 -11.693 1.00 0.00 O ATOM 529 CB LYS A 31 7.045 7.637 -11.931 1.00 0.00 C ATOM 530 CG LYS A 31 6.339 8.971 -12.230 1.00 0.00 C ATOM 531 CD LYS A 31 4.955 8.750 -12.857 1.00 0.00 C ATOM 532 CE LYS A 31 4.289 10.104 -13.138 1.00 0.00 C ATOM 533 NZ LYS A 31 2.985 9.950 -13.836 1.00 0.00 N ATOM 0 H LYS A 31 9.554 7.744 -13.286 1.00 0.00 H new ATOM 0 HA LYS A 31 8.520 8.494 -10.607 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.033 7.019 -12.829 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.483 7.100 -11.167 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.234 9.543 -11.308 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.954 9.566 -12.905 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.051 8.183 -13.783 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.331 8.160 -12.185 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.137 10.635 -12.198 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.955 10.716 -13.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.448 10.838 -13.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.152 9.723 -14.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.442 9.182 -13.392 1.00 0.00 H new ATOM 547 N GLN A 32 8.753 6.103 -9.736 1.00 0.00 N ATOM 548 CA GLN A 32 9.257 4.926 -9.008 1.00 0.00 C ATOM 549 C GLN A 32 8.605 3.588 -9.437 1.00 0.00 C ATOM 550 O GLN A 32 8.335 2.727 -8.601 1.00 0.00 O ATOM 551 CB GLN A 32 9.184 5.228 -7.491 1.00 0.00 C ATOM 552 CG GLN A 32 7.823 5.100 -6.770 1.00 0.00 C ATOM 553 CD GLN A 32 6.618 5.680 -7.509 1.00 0.00 C ATOM 554 OE1 GLN A 32 6.603 6.823 -7.946 1.00 0.00 O ATOM 555 NE2 GLN A 32 5.566 4.909 -7.687 1.00 0.00 N ATOM 0 H GLN A 32 8.082 6.636 -9.183 1.00 0.00 H new ATOM 0 HA GLN A 32 10.300 4.758 -9.276 1.00 0.00 H new ATOM 0 HB2 GLN A 32 9.887 4.564 -6.988 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.543 6.246 -7.340 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.633 4.044 -6.579 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.900 5.591 -5.800 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.567 3.954 -7.327 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.750 5.266 -8.185 1.00 0.00 H new ATOM 564 N ILE A 33 8.337 3.430 -10.744 1.00 0.00 N ATOM 565 CA ILE A 33 7.517 2.322 -11.278 1.00 0.00 C ATOM 566 C ILE A 33 6.153 2.255 -10.565 1.00 0.00 C ATOM 567 O ILE A 33 5.874 1.378 -9.743 1.00 0.00 O ATOM 568 CB ILE A 33 8.295 0.982 -11.318 1.00 0.00 C ATOM 569 CG1 ILE A 33 9.684 1.098 -11.993 1.00 0.00 C ATOM 570 CG2 ILE A 33 7.464 -0.119 -12.013 1.00 0.00 C ATOM 571 CD1 ILE A 33 9.697 1.153 -13.528 1.00 0.00 C ATOM 0 H ILE A 33 8.682 4.066 -11.463 1.00 0.00 H new ATOM 0 HA ILE A 33 7.293 2.530 -12.324 1.00 0.00 H new ATOM 0 HB ILE A 33 8.468 0.708 -10.277 1.00 0.00 H new ATOM 0 HG12 ILE A 33 10.173 1.996 -11.615 1.00 0.00 H new ATOM 0 HG13 ILE A 33 10.289 0.248 -11.677 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.032 -1.049 -12.028 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.533 -0.271 -11.467 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.239 0.185 -13.035 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.725 1.234 -13.880 1.00 0.00 H new ATOM 0 HD12 ILE A 33 9.246 0.245 -13.928 1.00 0.00 H new ATOM 0 HD13 ILE A 33 9.129 2.020 -13.866 1.00 0.00 H new ATOM 583 N ASN A 34 5.300 3.241 -10.860 1.00 0.00 N ATOM 584 CA ASN A 34 3.909 3.342 -10.397 1.00 0.00 C ATOM 585 C ASN A 34 3.024 2.264 -11.069 1.00 0.00 C ATOM 586 O ASN A 34 2.147 2.562 -11.879 1.00 0.00 O ATOM 587 CB ASN A 34 3.444 4.792 -10.644 1.00 0.00 C ATOM 588 CG ASN A 34 2.249 5.159 -9.785 1.00 0.00 C ATOM 589 OD1 ASN A 34 2.326 5.186 -8.564 1.00 0.00 O ATOM 590 ND2 ASN A 34 1.120 5.459 -10.375 1.00 0.00 N ATOM 0 H ASN A 34 5.570 4.025 -11.454 1.00 0.00 H new ATOM 0 HA ASN A 34 3.823 3.137 -9.330 1.00 0.00 H new ATOM 0 HB2 ASN A 34 4.265 5.477 -10.434 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.186 4.916 -11.696 1.00 0.00 H new ATOM 0 HD21 ASN A 34 0.305 5.715 -9.817 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.055 5.437 -11.393 1.00 0.00 H new ATOM 597 N LEU A 35 3.306 0.989 -10.785 1.00 0.00 N ATOM 598 CA LEU A 35 2.791 -0.172 -11.515 1.00 0.00 C ATOM 599 C LEU A 35 1.276 -0.192 -11.759 1.00 0.00 C ATOM 600 O LEU A 35 0.856 -0.485 -12.874 1.00 0.00 O ATOM 601 CB LEU A 35 3.318 -1.459 -10.860 1.00 0.00 C ATOM 602 CG LEU A 35 3.115 -2.705 -11.750 1.00 0.00 C ATOM 603 CD1 LEU A 35 4.241 -3.706 -11.508 1.00 0.00 C ATOM 604 CD2 LEU A 35 1.786 -3.410 -11.492 1.00 0.00 C ATOM 0 H LEU A 35 3.920 0.728 -10.014 1.00 0.00 H new ATOM 0 HA LEU A 35 3.180 -0.095 -12.531 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.379 -1.342 -10.641 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.811 -1.611 -9.907 1.00 0.00 H new ATOM 0 HG LEU A 35 3.117 -2.350 -12.781 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.091 -4.582 -12.139 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.198 -3.243 -11.751 1.00 0.00 H new ATOM 0 HD13 LEU A 35 4.240 -4.009 -10.461 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.701 -4.277 -12.147 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.742 -3.735 -10.452 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.964 -2.722 -11.692 1.00 0.00 H new ATOM 616 N TRP A 36 0.452 0.150 -10.768 1.00 0.00 N ATOM 617 CA TRP A 36 -1.013 0.171 -10.907 1.00 0.00 C ATOM 618 C TRP A 36 -1.504 1.055 -12.087 1.00 0.00 C ATOM 619 O TRP A 36 -2.434 0.664 -12.807 1.00 0.00 O ATOM 620 CB TRP A 36 -1.631 0.576 -9.562 1.00 0.00 C ATOM 621 CG TRP A 36 -1.386 1.971 -9.080 1.00 0.00 C ATOM 622 CD1 TRP A 36 -0.255 2.422 -8.493 1.00 0.00 C ATOM 623 CD2 TRP A 36 -2.299 3.110 -9.111 1.00 0.00 C ATOM 624 NE1 TRP A 36 -0.390 3.763 -8.198 1.00 0.00 N ATOM 625 CE2 TRP A 36 -1.625 4.245 -8.569 1.00 0.00 C ATOM 626 CE3 TRP A 36 -3.628 3.296 -9.544 1.00 0.00 C ATOM 627 CZ2 TRP A 36 -2.222 5.512 -8.505 1.00 0.00 C ATOM 628 CZ3 TRP A 36 -4.240 4.563 -9.486 1.00 0.00 C ATOM 629 CH2 TRP A 36 -3.538 5.671 -8.976 1.00 0.00 C ATOM 0 H TRP A 36 0.779 0.422 -9.841 1.00 0.00 H new ATOM 0 HA TRP A 36 -1.352 -0.832 -11.166 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -2.709 0.428 -9.629 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.262 -0.112 -8.802 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.620 1.824 -8.287 1.00 0.00 H new ATOM 0 HE1 TRP A 36 0.337 4.328 -7.759 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.185 2.454 -9.926 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -1.680 6.354 -8.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -5.255 4.685 -9.835 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -4.009 6.642 -8.946 1.00 0.00 H new ATOM 640 N THR A 37 -0.866 2.208 -12.362 1.00 0.00 N ATOM 641 CA THR A 37 -1.215 3.054 -13.515 1.00 0.00 C ATOM 642 C THR A 37 -0.673 2.529 -14.835 1.00 0.00 C ATOM 643 O THR A 37 -1.416 2.537 -15.812 1.00 0.00 O ATOM 644 CB THR A 37 -0.797 4.520 -13.361 1.00 0.00 C ATOM 645 OG1 THR A 37 0.567 4.691 -13.054 1.00 0.00 O ATOM 646 CG2 THR A 37 -1.610 5.212 -12.277 1.00 0.00 C ATOM 0 H THR A 37 -0.101 2.575 -11.796 1.00 0.00 H new ATOM 0 HA THR A 37 -2.304 3.008 -13.535 1.00 0.00 H new ATOM 0 HB THR A 37 -0.987 4.967 -14.337 1.00 0.00 H new ATOM 0 HG1 THR A 37 0.960 3.825 -12.818 1.00 0.00 H new ATOM 0 HG21 THR A 37 -1.291 6.251 -12.190 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.668 5.178 -12.538 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.454 4.704 -11.325 1.00 0.00 H new ATOM 654 N MET A 38 0.566 2.025 -14.905 1.00 0.00 N ATOM 655 CA MET A 38 1.060 1.427 -16.158 1.00 0.00 C ATOM 656 C MET A 38 0.321 0.119 -16.504 1.00 0.00 C ATOM 657 O MET A 38 0.122 -0.178 -17.679 1.00 0.00 O ATOM 658 CB MET A 38 2.591 1.299 -16.171 1.00 0.00 C ATOM 659 CG MET A 38 3.165 0.123 -15.381 1.00 0.00 C ATOM 660 SD MET A 38 4.965 0.236 -15.185 1.00 0.00 S ATOM 661 CE MET A 38 5.331 -1.386 -14.467 1.00 0.00 C ATOM 0 H MET A 38 1.232 2.017 -14.132 1.00 0.00 H new ATOM 0 HA MET A 38 0.821 2.117 -16.968 1.00 0.00 H new ATOM 0 HB2 MET A 38 2.921 1.213 -17.206 1.00 0.00 H new ATOM 0 HB3 MET A 38 3.018 2.221 -15.776 1.00 0.00 H new ATOM 0 HG2 MET A 38 2.697 0.086 -14.397 1.00 0.00 H new ATOM 0 HG3 MET A 38 2.915 -0.809 -15.888 1.00 0.00 H new ATOM 0 HE1 MET A 38 6.393 -1.603 -14.581 1.00 0.00 H new ATOM 0 HE2 MET A 38 5.073 -1.382 -13.408 1.00 0.00 H new ATOM 0 HE3 MET A 38 4.748 -2.151 -14.980 1.00 0.00 H new ATOM 671 N PHE A 39 -0.167 -0.605 -15.490 1.00 0.00 N ATOM 672 CA PHE A 39 -1.068 -1.743 -15.685 1.00 0.00 C ATOM 673 C PHE A 39 -2.435 -1.332 -16.248 1.00 0.00 C ATOM 674 O PHE A 39 -2.821 -1.847 -17.300 1.00 0.00 O ATOM 675 CB PHE A 39 -1.228 -2.493 -14.358 1.00 0.00 C ATOM 676 CG PHE A 39 -2.207 -3.646 -14.441 1.00 0.00 C ATOM 677 CD1 PHE A 39 -1.937 -4.733 -15.293 1.00 0.00 C ATOM 678 CD2 PHE A 39 -3.398 -3.624 -13.690 1.00 0.00 C ATOM 679 CE1 PHE A 39 -2.835 -5.809 -15.371 1.00 0.00 C ATOM 680 CE2 PHE A 39 -4.304 -4.695 -13.777 1.00 0.00 C ATOM 681 CZ PHE A 39 -4.017 -5.788 -14.614 1.00 0.00 C ATOM 0 H PHE A 39 0.053 -0.417 -14.512 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.619 -2.399 -16.431 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.256 -2.872 -14.042 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -1.563 -1.795 -13.591 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -1.036 -4.739 -15.889 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.615 -2.784 -13.047 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.617 -6.651 -16.012 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.218 -4.679 -13.202 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.709 -6.615 -14.675 1.00 0.00 H new ATOM 691 N GLN A 40 -3.170 -0.405 -15.611 1.00 0.00 N ATOM 692 CA GLN A 40 -4.477 0.014 -16.160 1.00 0.00 C ATOM 693 C GLN A 40 -4.344 0.734 -17.519 1.00 0.00 C ATOM 694 O GLN A 40 -5.191 0.554 -18.395 1.00 0.00 O ATOM 695 CB GLN A 40 -5.285 0.811 -15.120 1.00 0.00 C ATOM 696 CG GLN A 40 -4.825 2.266 -14.971 1.00 0.00 C ATOM 697 CD GLN A 40 -5.300 2.907 -13.672 1.00 0.00 C ATOM 698 OE1 GLN A 40 -6.209 3.725 -13.637 1.00 0.00 O ATOM 699 NE2 GLN A 40 -4.680 2.579 -12.558 1.00 0.00 N ATOM 0 H GLN A 40 -2.897 0.057 -14.744 1.00 0.00 H new ATOM 0 HA GLN A 40 -5.050 -0.888 -16.374 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -6.338 0.798 -15.402 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -5.208 0.313 -14.153 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.736 2.304 -15.012 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -5.197 2.848 -15.815 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -3.921 1.898 -12.578 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -4.959 3.006 -11.675 1.00 0.00 H new ATOM 708 N ALA A 41 -3.246 1.466 -17.745 1.00 0.00 N ATOM 709 CA ALA A 41 -2.881 2.017 -19.050 1.00 0.00 C ATOM 710 C ALA A 41 -2.700 0.911 -20.097 1.00 0.00 C ATOM 711 O ALA A 41 -3.316 0.972 -21.160 1.00 0.00 O ATOM 712 CB ALA A 41 -1.589 2.821 -18.908 1.00 0.00 C ATOM 0 H ALA A 41 -2.576 1.694 -17.011 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.689 2.664 -19.392 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.310 3.235 -19.877 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.742 3.633 -18.197 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.792 2.169 -18.549 1.00 0.00 H new ATOM 718 N ALA A 42 -1.921 -0.129 -19.775 1.00 0.00 N ATOM 719 CA ALA A 42 -1.780 -1.311 -20.618 1.00 0.00 C ATOM 720 C ALA A 42 -3.142 -1.955 -20.924 1.00 0.00 C ATOM 721 O ALA A 42 -3.361 -2.347 -22.061 1.00 0.00 O ATOM 722 CB ALA A 42 -0.812 -2.308 -19.965 1.00 0.00 C ATOM 0 H ALA A 42 -1.370 -0.169 -18.917 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.360 -1.004 -21.576 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.712 -3.188 -20.601 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.164 -1.839 -19.839 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.199 -2.606 -18.991 1.00 0.00 H new ATOM 728 N GLN A 43 -4.080 -2.009 -19.968 1.00 0.00 N ATOM 729 CA GLN A 43 -5.405 -2.609 -20.193 1.00 0.00 C ATOM 730 C GLN A 43 -6.255 -1.827 -21.204 1.00 0.00 C ATOM 731 O GLN A 43 -6.926 -2.443 -22.035 1.00 0.00 O ATOM 732 CB GLN A 43 -6.193 -2.818 -18.885 1.00 0.00 C ATOM 733 CG GLN A 43 -5.531 -3.694 -17.803 1.00 0.00 C ATOM 734 CD GLN A 43 -4.612 -4.786 -18.346 1.00 0.00 C ATOM 735 OE1 GLN A 43 -5.040 -5.814 -18.853 1.00 0.00 O ATOM 736 NE2 GLN A 43 -3.313 -4.586 -18.286 1.00 0.00 N ATOM 0 H GLN A 43 -3.945 -1.642 -19.026 1.00 0.00 H new ATOM 0 HA GLN A 43 -5.198 -3.589 -20.623 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -6.396 -1.839 -18.451 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -7.157 -3.261 -19.137 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -4.956 -3.052 -17.135 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -6.312 -4.160 -17.203 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -2.947 -3.732 -17.865 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -2.672 -5.285 -18.660 1.00 0.00 H new ATOM 745 N LYS A 44 -6.174 -0.488 -21.199 1.00 0.00 N ATOM 746 CA LYS A 44 -6.817 0.339 -22.239 1.00 0.00 C ATOM 747 C LYS A 44 -6.115 0.139 -23.581 1.00 0.00 C ATOM 748 O LYS A 44 -6.765 -0.064 -24.606 1.00 0.00 O ATOM 749 CB LYS A 44 -6.809 1.824 -21.840 1.00 0.00 C ATOM 750 CG LYS A 44 -7.651 2.104 -20.582 1.00 0.00 C ATOM 751 CD LYS A 44 -7.817 3.604 -20.291 1.00 0.00 C ATOM 752 CE LYS A 44 -6.466 4.301 -20.084 1.00 0.00 C ATOM 753 NZ LYS A 44 -6.623 5.757 -19.839 1.00 0.00 N ATOM 0 H LYS A 44 -5.672 0.047 -20.490 1.00 0.00 H new ATOM 0 HA LYS A 44 -7.855 0.022 -22.338 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.782 2.143 -21.664 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.191 2.421 -22.668 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -8.635 1.652 -20.703 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -7.182 1.623 -19.724 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.347 4.077 -21.118 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -8.433 3.735 -19.401 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.948 3.845 -19.240 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.840 4.147 -20.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.795 6.263 -20.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -7.481 6.099 -20.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.703 5.930 -18.817 1.00 0.00 H new ATOM 767 N LEU A 45 -4.782 0.112 -23.531 1.00 0.00 N ATOM 768 CA LEU A 45 -3.944 -0.247 -24.679 1.00 0.00 C ATOM 769 C LEU A 45 -3.965 -1.767 -25.052 1.00 0.00 C ATOM 770 O LEU A 45 -3.127 -2.207 -25.843 1.00 0.00 O ATOM 771 CB LEU A 45 -2.518 0.304 -24.415 1.00 0.00 C ATOM 772 CG LEU A 45 -2.388 1.845 -24.216 1.00 0.00 C ATOM 773 CD1 LEU A 45 -1.029 2.155 -23.626 1.00 0.00 C ATOM 774 CD2 LEU A 45 -2.607 2.598 -25.526 1.00 0.00 C ATOM 0 H LEU A 45 -4.250 0.339 -22.691 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.362 0.217 -25.573 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.122 -0.188 -23.527 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.881 0.014 -25.251 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.163 2.181 -23.527 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.931 3.231 -23.484 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.926 1.651 -22.665 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.250 1.806 -24.304 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.509 3.669 -25.351 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.863 2.281 -26.257 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.605 2.382 -25.907 1.00 0.00 H new ATOM 786 N GLY A 46 -4.917 -2.559 -24.519 1.00 0.00 N ATOM 787 CA GLY A 46 -5.151 -3.944 -25.002 1.00 0.00 C ATOM 788 C GLY A 46 -4.465 -5.080 -24.213 1.00 0.00 C ATOM 789 O GLY A 46 -4.197 -6.160 -24.748 1.00 0.00 O ATOM 0 H GLY A 46 -5.534 -2.271 -23.760 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.225 -4.128 -24.999 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.821 -4.003 -26.039 1.00 0.00 H new ATOM 793 N GLY A 47 -4.203 -4.799 -22.939 1.00 0.00 N ATOM 794 CA GLY A 47 -3.416 -5.661 -22.055 1.00 0.00 C ATOM 795 C GLY A 47 -2.000 -5.976 -22.551 1.00 0.00 C ATOM 796 O GLY A 47 -1.567 -5.539 -23.620 1.00 0.00 O ATOM 0 H GLY A 47 -4.537 -3.951 -22.482 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.345 -5.185 -21.077 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.953 -6.599 -21.915 1.00 0.00 H new ATOM 800 N TYR A 48 -1.290 -6.798 -21.772 1.00 0.00 N ATOM 801 CA TYR A 48 -0.012 -7.388 -22.198 1.00 0.00 C ATOM 802 C TYR A 48 -0.094 -8.081 -23.574 1.00 0.00 C ATOM 803 O TYR A 48 0.898 -8.163 -24.297 1.00 0.00 O ATOM 804 CB TYR A 48 0.441 -8.382 -21.120 1.00 0.00 C ATOM 805 CG TYR A 48 1.787 -9.036 -21.379 1.00 0.00 C ATOM 806 CD1 TYR A 48 2.972 -8.278 -21.278 1.00 0.00 C ATOM 807 CD2 TYR A 48 1.856 -10.402 -21.717 1.00 0.00 C ATOM 808 CE1 TYR A 48 4.223 -8.889 -21.493 1.00 0.00 C ATOM 809 CE2 TYR A 48 3.103 -11.015 -21.947 1.00 0.00 C ATOM 810 CZ TYR A 48 4.292 -10.259 -21.828 1.00 0.00 C ATOM 811 OH TYR A 48 5.505 -10.846 -22.025 1.00 0.00 O ATOM 0 H TYR A 48 -1.580 -7.073 -20.834 1.00 0.00 H new ATOM 0 HA TYR A 48 0.714 -6.583 -22.314 1.00 0.00 H new ATOM 0 HB2 TYR A 48 0.484 -7.863 -20.163 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -0.314 -9.163 -21.026 1.00 0.00 H new ATOM 0 HD1 TYR A 48 2.920 -7.227 -21.035 1.00 0.00 H new ATOM 0 HD2 TYR A 48 0.949 -10.982 -21.800 1.00 0.00 H new ATOM 0 HE1 TYR A 48 5.130 -8.309 -21.402 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.151 -12.060 -22.214 1.00 0.00 H new ATOM 0 HH TYR A 48 5.378 -11.792 -22.247 1.00 0.00 H new ATOM 821 N GLU A 49 -1.281 -8.558 -23.966 1.00 0.00 N ATOM 822 CA GLU A 49 -1.442 -9.331 -25.206 1.00 0.00 C ATOM 823 C GLU A 49 -1.348 -8.448 -26.459 1.00 0.00 C ATOM 824 O GLU A 49 -0.571 -8.755 -27.366 1.00 0.00 O ATOM 825 CB GLU A 49 -2.766 -10.112 -25.154 1.00 0.00 C ATOM 826 CG GLU A 49 -2.651 -11.282 -24.162 1.00 0.00 C ATOM 827 CD GLU A 49 -3.996 -11.976 -23.882 1.00 0.00 C ATOM 828 OE1 GLU A 49 -4.756 -12.280 -24.833 1.00 0.00 O ATOM 829 OE2 GLU A 49 -4.274 -12.259 -22.691 1.00 0.00 O ATOM 0 H GLU A 49 -2.146 -8.423 -23.443 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.617 -10.040 -25.279 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.577 -9.449 -24.853 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.014 -10.489 -26.146 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.947 -12.015 -24.555 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.237 -10.914 -23.223 1.00 0.00 H new ATOM 836 N THR A 50 -2.044 -7.306 -26.495 1.00 0.00 N ATOM 837 CA THR A 50 -1.871 -6.311 -27.568 1.00 0.00 C ATOM 838 C THR A 50 -0.528 -5.587 -27.444 1.00 0.00 C ATOM 839 O THR A 50 0.068 -5.235 -28.459 1.00 0.00 O ATOM 840 CB THR A 50 -3.020 -5.296 -27.616 1.00 0.00 C ATOM 841 OG1 THR A 50 -4.260 -5.974 -27.679 1.00 0.00 O ATOM 842 CG2 THR A 50 -2.981 -4.392 -28.850 1.00 0.00 C ATOM 0 H THR A 50 -2.735 -7.044 -25.792 1.00 0.00 H new ATOM 0 HA THR A 50 -1.884 -6.865 -28.506 1.00 0.00 H new ATOM 0 HB THR A 50 -2.908 -4.692 -26.716 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.560 -6.191 -26.772 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.822 -3.699 -28.820 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.047 -3.830 -28.860 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.046 -5.003 -29.751 1.00 0.00 H new ATOM 850 N ILE A 51 0.013 -5.429 -26.228 1.00 0.00 N ATOM 851 CA ILE A 51 1.394 -4.953 -26.038 1.00 0.00 C ATOM 852 C ILE A 51 2.410 -5.865 -26.748 1.00 0.00 C ATOM 853 O ILE A 51 3.312 -5.365 -27.422 1.00 0.00 O ATOM 854 CB ILE A 51 1.683 -4.761 -24.518 1.00 0.00 C ATOM 855 CG1 ILE A 51 1.659 -3.281 -24.073 1.00 0.00 C ATOM 856 CG2 ILE A 51 3.006 -5.371 -24.043 1.00 0.00 C ATOM 857 CD1 ILE A 51 0.235 -2.720 -23.933 1.00 0.00 C ATOM 0 H ILE A 51 -0.484 -5.624 -25.359 1.00 0.00 H new ATOM 0 HA ILE A 51 1.507 -3.978 -26.511 1.00 0.00 H new ATOM 0 HB ILE A 51 0.861 -5.302 -24.050 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.177 -3.186 -23.119 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.211 -2.681 -24.796 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.127 -5.191 -22.975 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.000 -6.444 -24.232 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.833 -4.912 -24.584 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.284 -1.678 -23.618 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.278 -2.786 -24.893 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.312 -3.298 -23.189 1.00 0.00 H new ATOM 869 N THR A 52 2.227 -7.185 -26.652 1.00 0.00 N ATOM 870 CA THR A 52 3.135 -8.161 -27.278 1.00 0.00 C ATOM 871 C THR A 52 2.921 -8.230 -28.791 1.00 0.00 C ATOM 872 O THR A 52 3.888 -8.288 -29.553 1.00 0.00 O ATOM 873 CB THR A 52 2.931 -9.557 -26.657 1.00 0.00 C ATOM 874 OG1 THR A 52 3.170 -9.510 -25.267 1.00 0.00 O ATOM 875 CG2 THR A 52 3.887 -10.614 -27.214 1.00 0.00 C ATOM 0 H THR A 52 1.452 -7.609 -26.143 1.00 0.00 H new ATOM 0 HA THR A 52 4.157 -7.830 -27.093 1.00 0.00 H new ATOM 0 HB THR A 52 1.904 -9.832 -26.899 1.00 0.00 H new ATOM 0 HG1 THR A 52 2.427 -9.051 -24.823 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.689 -11.572 -26.734 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.738 -10.709 -28.290 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.916 -10.315 -27.016 1.00 0.00 H new ATOM 883 N ALA A 53 1.662 -8.178 -29.239 1.00 0.00 N ATOM 884 CA ALA A 53 1.333 -8.214 -30.663 1.00 0.00 C ATOM 885 C ALA A 53 1.635 -6.899 -31.416 1.00 0.00 C ATOM 886 O ALA A 53 1.829 -6.941 -32.635 1.00 0.00 O ATOM 887 CB ALA A 53 -0.153 -8.574 -30.792 1.00 0.00 C ATOM 0 H ALA A 53 0.849 -8.110 -28.627 1.00 0.00 H new ATOM 0 HA ALA A 53 1.972 -8.962 -31.133 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -0.429 -8.609 -31.846 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.332 -9.549 -30.338 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.755 -7.821 -30.284 1.00 0.00 H new ATOM 893 N ARG A 54 1.666 -5.747 -30.716 1.00 0.00 N ATOM 894 CA ARG A 54 1.700 -4.438 -31.411 1.00 0.00 C ATOM 895 C ARG A 54 2.621 -3.376 -30.786 1.00 0.00 C ATOM 896 O ARG A 54 2.464 -2.190 -31.080 1.00 0.00 O ATOM 897 CB ARG A 54 0.236 -3.960 -31.585 1.00 0.00 C ATOM 898 CG ARG A 54 -0.030 -3.153 -32.867 1.00 0.00 C ATOM 899 CD ARG A 54 0.043 -4.033 -34.125 1.00 0.00 C ATOM 900 NE ARG A 54 -0.298 -3.272 -35.343 1.00 0.00 N ATOM 901 CZ ARG A 54 -0.312 -3.738 -36.579 1.00 0.00 C ATOM 902 NH1 ARG A 54 -0.010 -4.976 -36.858 1.00 0.00 N ATOM 903 NH2 ARG A 54 -0.635 -2.962 -37.574 1.00 0.00 N ATOM 0 H ARG A 54 1.668 -5.691 -29.698 1.00 0.00 H new ATOM 0 HA ARG A 54 2.170 -4.586 -32.383 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.419 -4.831 -31.578 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.037 -3.349 -30.725 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.014 -2.689 -32.806 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.699 -2.346 -32.946 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.047 -4.446 -34.223 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.640 -4.876 -34.020 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.547 -2.291 -35.218 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.248 -5.619 -36.109 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.032 -5.301 -37.825 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.880 -1.987 -37.402 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.643 -3.329 -38.525 1.00 0.00 H new ATOM 917 N ARG A 55 3.594 -3.779 -29.955 1.00 0.00 N ATOM 918 CA ARG A 55 4.686 -2.938 -29.405 1.00 0.00 C ATOM 919 C ARG A 55 4.146 -1.675 -28.728 1.00 0.00 C ATOM 920 O ARG A 55 4.593 -0.556 -28.980 1.00 0.00 O ATOM 921 CB ARG A 55 5.736 -2.650 -30.501 1.00 0.00 C ATOM 922 CG ARG A 55 6.399 -3.929 -31.045 1.00 0.00 C ATOM 923 CD ARG A 55 7.412 -3.633 -32.160 1.00 0.00 C ATOM 924 NE ARG A 55 6.751 -3.185 -33.407 1.00 0.00 N ATOM 925 CZ ARG A 55 6.689 -1.958 -33.899 1.00 0.00 C ATOM 926 NH1 ARG A 55 7.234 -0.934 -33.305 1.00 0.00 N ATOM 927 NH2 ARG A 55 6.063 -1.734 -35.019 1.00 0.00 N ATOM 0 H ARG A 55 3.650 -4.744 -29.629 1.00 0.00 H new ATOM 0 HA ARG A 55 5.193 -3.489 -28.613 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.259 -2.116 -31.323 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.505 -1.992 -30.097 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.902 -4.450 -30.230 1.00 0.00 H new ATOM 0 HG3 ARG A 55 5.629 -4.600 -31.426 1.00 0.00 H new ATOM 0 HD2 ARG A 55 8.108 -2.865 -31.823 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.999 -4.528 -32.363 1.00 0.00 H new ATOM 0 HE ARG A 55 6.287 -3.911 -33.953 1.00 0.00 H new ATOM 0 HH11 ARG A 55 7.733 -1.061 -32.425 1.00 0.00 H new ATOM 0 HH12 ARG A 55 7.161 -0.005 -33.721 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.620 -2.505 -35.518 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.016 -0.788 -35.397 1.00 0.00 H new ATOM 941 N GLN A 56 3.137 -1.872 -27.877 1.00 0.00 N ATOM 942 CA GLN A 56 2.360 -0.757 -27.324 1.00 0.00 C ATOM 943 C GLN A 56 2.987 -0.109 -26.075 1.00 0.00 C ATOM 944 O GLN A 56 2.404 0.829 -25.537 1.00 0.00 O ATOM 945 CB GLN A 56 0.887 -1.144 -27.101 1.00 0.00 C ATOM 946 CG GLN A 56 0.124 -1.476 -28.389 1.00 0.00 C ATOM 947 CD GLN A 56 -0.096 -0.249 -29.272 1.00 0.00 C ATOM 948 OE1 GLN A 56 -0.910 0.616 -28.982 1.00 0.00 O ATOM 949 NE2 GLN A 56 0.623 -0.108 -30.366 1.00 0.00 N ATOM 0 H GLN A 56 2.838 -2.792 -27.555 1.00 0.00 H new ATOM 0 HA GLN A 56 2.387 0.021 -28.087 1.00 0.00 H new ATOM 0 HB2 GLN A 56 0.846 -2.006 -26.435 1.00 0.00 H new ATOM 0 HB3 GLN A 56 0.380 -0.324 -26.593 1.00 0.00 H new ATOM 0 HG2 GLN A 56 0.676 -2.229 -28.951 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -0.841 -1.913 -28.133 1.00 0.00 H new ATOM 0 HE21 GLN A 56 1.307 -0.820 -30.622 1.00 0.00 H new ATOM 0 HE22 GLN A 56 0.496 0.714 -30.957 1.00 0.00 H new ATOM 958 N TRP A 57 4.187 -0.515 -25.628 1.00 0.00 N ATOM 959 CA TRP A 57 4.923 0.216 -24.578 1.00 0.00 C ATOM 960 C TRP A 57 5.130 1.691 -24.957 1.00 0.00 C ATOM 961 O TRP A 57 4.979 2.571 -24.115 1.00 0.00 O ATOM 962 CB TRP A 57 6.282 -0.424 -24.260 1.00 0.00 C ATOM 963 CG TRP A 57 6.291 -1.908 -24.085 1.00 0.00 C ATOM 964 CD1 TRP A 57 6.650 -2.827 -25.010 1.00 0.00 C ATOM 965 CD2 TRP A 57 5.910 -2.662 -22.897 1.00 0.00 C ATOM 966 NE1 TRP A 57 6.488 -4.097 -24.485 1.00 0.00 N ATOM 967 CE2 TRP A 57 6.013 -4.053 -23.189 1.00 0.00 C ATOM 968 CE3 TRP A 57 5.471 -2.303 -21.607 1.00 0.00 C ATOM 969 CZ2 TRP A 57 5.660 -5.040 -22.257 1.00 0.00 C ATOM 970 CZ3 TRP A 57 5.089 -3.282 -20.675 1.00 0.00 C ATOM 971 CH2 TRP A 57 5.177 -4.649 -20.997 1.00 0.00 C ATOM 0 H TRP A 57 4.669 -1.344 -25.976 1.00 0.00 H new ATOM 0 HA TRP A 57 4.302 0.159 -23.684 1.00 0.00 H new ATOM 0 HB2 TRP A 57 6.976 -0.170 -25.062 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.669 0.030 -23.348 1.00 0.00 H new ATOM 0 HD1 TRP A 57 7.008 -2.604 -26.004 1.00 0.00 H new ATOM 0 HE1 TRP A 57 6.694 -4.958 -24.992 1.00 0.00 H new ATOM 0 HE3 TRP A 57 5.428 -1.260 -21.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 5.758 -6.087 -22.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 4.725 -2.983 -19.703 1.00 0.00 H new ATOM 0 HH2 TRP A 57 4.874 -5.395 -20.278 1.00 0.00 H new ATOM 982 N LYS A 58 5.358 1.992 -26.242 1.00 0.00 N ATOM 983 CA LYS A 58 5.430 3.375 -26.753 1.00 0.00 C ATOM 984 C LYS A 58 4.141 4.184 -26.534 1.00 0.00 C ATOM 985 O LYS A 58 4.205 5.411 -26.463 1.00 0.00 O ATOM 986 CB LYS A 58 5.853 3.375 -28.234 1.00 0.00 C ATOM 987 CG LYS A 58 7.204 2.681 -28.499 1.00 0.00 C ATOM 988 CD LYS A 58 8.381 3.162 -27.628 1.00 0.00 C ATOM 989 CE LYS A 58 8.638 4.666 -27.778 1.00 0.00 C ATOM 990 NZ LYS A 58 9.849 5.083 -27.030 1.00 0.00 N ATOM 0 H LYS A 58 5.499 1.284 -26.962 1.00 0.00 H new ATOM 0 HA LYS A 58 6.192 3.886 -26.165 1.00 0.00 H new ATOM 0 HB2 LYS A 58 5.080 2.880 -28.822 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.910 4.405 -28.585 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.077 1.609 -28.348 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.467 2.826 -29.547 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.174 2.933 -26.583 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.282 2.612 -27.902 1.00 0.00 H new ATOM 0 HE2 LYS A 58 8.756 4.913 -28.833 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.774 5.223 -27.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 9.885 6.121 -26.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.815 4.690 -26.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.697 4.730 -27.518 1.00 0.00 H new ATOM 1004 N HIS A 59 3.003 3.511 -26.343 1.00 0.00 N ATOM 1005 CA HIS A 59 1.761 4.156 -25.909 1.00 0.00 C ATOM 1006 C HIS A 59 1.525 4.054 -24.387 1.00 0.00 C ATOM 1007 O HIS A 59 0.784 4.866 -23.840 1.00 0.00 O ATOM 1008 CB HIS A 59 0.590 3.601 -26.727 1.00 0.00 C ATOM 1009 CG HIS A 59 0.717 3.882 -28.205 1.00 0.00 C ATOM 1010 ND1 HIS A 59 0.252 4.998 -28.865 1.00 0.00 N ATOM 1011 CD2 HIS A 59 1.347 3.100 -29.136 1.00 0.00 C ATOM 1012 CE1 HIS A 59 0.588 4.890 -30.162 1.00 0.00 C ATOM 1013 NE2 HIS A 59 1.261 3.745 -30.378 1.00 0.00 N ATOM 0 H HIS A 59 2.917 2.505 -26.485 1.00 0.00 H new ATOM 0 HA HIS A 59 1.846 5.226 -26.101 1.00 0.00 H new ATOM 0 HB2 HIS A 59 0.524 2.524 -26.572 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -0.340 4.034 -26.359 1.00 0.00 H new ATOM 0 HD2 HIS A 59 1.827 2.151 -28.947 1.00 0.00 H new ATOM 0 HE1 HIS A 59 0.351 5.619 -30.923 1.00 0.00 H new ATOM 0 HE2 HIS A 59 1.634 3.413 -31.267 1.00 0.00 H new ATOM 1021 N ILE A 60 2.184 3.152 -23.648 1.00 0.00 N ATOM 1022 CA ILE A 60 2.212 3.230 -22.170 1.00 0.00 C ATOM 1023 C ILE A 60 3.004 4.492 -21.795 1.00 0.00 C ATOM 1024 O ILE A 60 2.620 5.214 -20.881 1.00 0.00 O ATOM 1025 CB ILE A 60 2.771 1.944 -21.519 1.00 0.00 C ATOM 1026 CG1 ILE A 60 1.762 0.797 -21.748 1.00 0.00 C ATOM 1027 CG2 ILE A 60 3.033 2.136 -20.012 1.00 0.00 C ATOM 1028 CD1 ILE A 60 2.192 -0.553 -21.172 1.00 0.00 C ATOM 0 H ILE A 60 2.702 2.365 -24.038 1.00 0.00 H new ATOM 0 HA ILE A 60 1.198 3.305 -21.776 1.00 0.00 H new ATOM 0 HB ILE A 60 3.728 1.702 -21.981 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.806 1.078 -21.306 1.00 0.00 H new ATOM 0 HG13 ILE A 60 1.597 0.684 -22.820 1.00 0.00 H new ATOM 0 HG21 ILE A 60 3.425 1.211 -19.590 1.00 0.00 H new ATOM 0 HG22 ILE A 60 3.759 2.937 -19.868 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.101 2.397 -19.511 1.00 0.00 H new ATOM 0 HD11 ILE A 60 1.424 -1.298 -21.379 1.00 0.00 H new ATOM 0 HD12 ILE A 60 3.131 -0.862 -21.631 1.00 0.00 H new ATOM 0 HD13 ILE A 60 2.328 -0.462 -20.094 1.00 0.00 H new ATOM 1040 N TYR A 61 4.045 4.818 -22.570 1.00 0.00 N ATOM 1041 CA TYR A 61 4.732 6.111 -22.539 1.00 0.00 C ATOM 1042 C TYR A 61 3.780 7.291 -22.877 1.00 0.00 C ATOM 1043 O TYR A 61 3.986 8.406 -22.395 1.00 0.00 O ATOM 1044 CB TYR A 61 5.975 6.024 -23.436 1.00 0.00 C ATOM 1045 CG TYR A 61 6.684 7.338 -23.705 1.00 0.00 C ATOM 1046 CD1 TYR A 61 7.595 7.867 -22.768 1.00 0.00 C ATOM 1047 CD2 TYR A 61 6.438 8.026 -24.910 1.00 0.00 C ATOM 1048 CE1 TYR A 61 8.262 9.080 -23.036 1.00 0.00 C ATOM 1049 CE2 TYR A 61 7.104 9.236 -25.181 1.00 0.00 C ATOM 1050 CZ TYR A 61 8.020 9.765 -24.249 1.00 0.00 C ATOM 1051 OH TYR A 61 8.670 10.923 -24.544 1.00 0.00 O ATOM 0 H TYR A 61 4.442 4.172 -23.253 1.00 0.00 H new ATOM 0 HA TYR A 61 5.067 6.332 -21.526 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.685 5.336 -22.976 1.00 0.00 H new ATOM 0 HB3 TYR A 61 5.682 5.588 -24.391 1.00 0.00 H new ATOM 0 HD1 TYR A 61 7.782 7.342 -21.843 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.737 7.624 -25.627 1.00 0.00 H new ATOM 0 HE1 TYR A 61 8.957 9.485 -22.316 1.00 0.00 H new ATOM 0 HE2 TYR A 61 6.913 9.761 -26.105 1.00 0.00 H new ATOM 0 HH TYR A 61 9.149 11.241 -23.750 1.00 0.00 H new ATOM 1061 N ASP A 62 2.696 7.024 -23.624 1.00 0.00 N ATOM 1062 CA ASP A 62 1.615 8.009 -23.804 1.00 0.00 C ATOM 1063 C ASP A 62 0.801 8.218 -22.514 1.00 0.00 C ATOM 1064 O ASP A 62 0.676 9.341 -22.019 1.00 0.00 O ATOM 1065 CB ASP A 62 0.724 7.722 -25.023 1.00 0.00 C ATOM 1066 CG ASP A 62 -0.051 8.984 -25.437 1.00 0.00 C ATOM 1067 OD1 ASP A 62 0.544 9.869 -26.097 1.00 0.00 O ATOM 1068 OD2 ASP A 62 -1.258 9.096 -25.115 1.00 0.00 O ATOM 0 H ASP A 62 2.545 6.140 -24.110 1.00 0.00 H new ATOM 0 HA ASP A 62 2.108 8.956 -24.024 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.337 7.376 -25.855 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.024 6.920 -24.788 1.00 0.00 H new ATOM 1073 N GLU A 63 0.300 7.125 -21.939 1.00 0.00 N ATOM 1074 CA GLU A 63 -0.539 7.191 -20.733 1.00 0.00 C ATOM 1075 C GLU A 63 0.194 7.587 -19.432 1.00 0.00 C ATOM 1076 O GLU A 63 -0.407 8.247 -18.580 1.00 0.00 O ATOM 1077 CB GLU A 63 -1.199 5.821 -20.532 1.00 0.00 C ATOM 1078 CG GLU A 63 -2.264 5.479 -21.588 1.00 0.00 C ATOM 1079 CD GLU A 63 -3.488 6.412 -21.514 1.00 0.00 C ATOM 1080 OE1 GLU A 63 -4.056 6.589 -20.410 1.00 0.00 O ATOM 1081 OE2 GLU A 63 -3.923 6.943 -22.563 1.00 0.00 O ATOM 0 H GLU A 63 0.459 6.179 -22.287 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.259 7.989 -20.912 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.427 5.052 -20.547 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.659 5.792 -19.544 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.820 5.545 -22.581 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.589 4.447 -21.451 1.00 0.00 H new ATOM 1088 N LEU A 64 1.470 7.211 -19.248 1.00 0.00 N ATOM 1089 CA LEU A 64 2.227 7.463 -18.005 1.00 0.00 C ATOM 1090 C LEU A 64 2.539 8.951 -17.748 1.00 0.00 C ATOM 1091 O LEU A 64 2.888 9.311 -16.620 1.00 0.00 O ATOM 1092 CB LEU A 64 3.486 6.558 -17.942 1.00 0.00 C ATOM 1093 CG LEU A 64 4.708 6.951 -18.800 1.00 0.00 C ATOM 1094 CD1 LEU A 64 5.634 7.976 -18.134 1.00 0.00 C ATOM 1095 CD2 LEU A 64 5.573 5.710 -19.043 1.00 0.00 C ATOM 0 H LEU A 64 2.011 6.721 -19.960 1.00 0.00 H new ATOM 0 HA LEU A 64 1.573 7.187 -17.178 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.810 6.510 -16.902 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.187 5.550 -18.230 1.00 0.00 H new ATOM 0 HG LEU A 64 4.295 7.385 -19.711 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.468 8.200 -18.800 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.077 8.891 -17.930 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.016 7.567 -17.199 1.00 0.00 H new ATOM 0 HD21 LEU A 64 6.438 5.982 -19.649 1.00 0.00 H new ATOM 0 HD22 LEU A 64 5.911 5.309 -18.087 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.987 4.955 -19.566 1.00 0.00 H new ATOM 1107 N GLY A 65 2.427 9.796 -18.782 1.00 0.00 N ATOM 1108 CA GLY A 65 2.762 11.227 -18.688 1.00 0.00 C ATOM 1109 C GLY A 65 4.038 11.631 -19.446 1.00 0.00 C ATOM 1110 O GLY A 65 4.489 12.770 -19.301 1.00 0.00 O ATOM 0 H GLY A 65 2.103 9.510 -19.706 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.925 11.810 -19.073 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.879 11.492 -17.637 1.00 0.00 H new ATOM 1114 N GLY A 66 4.603 10.719 -20.252 1.00 0.00 N ATOM 1115 CA GLY A 66 5.869 10.960 -20.959 1.00 0.00 C ATOM 1116 C GLY A 66 7.089 11.373 -20.111 1.00 0.00 C ATOM 1117 O GLY A 66 7.074 11.386 -18.878 1.00 0.00 O ATOM 0 H GLY A 66 4.198 9.800 -20.431 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.129 10.052 -21.503 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.697 11.738 -21.702 1.00 0.00 H new ATOM 1121 N ASN A 67 8.173 11.701 -20.820 1.00 0.00 N ATOM 1122 CA ASN A 67 9.402 12.334 -20.326 1.00 0.00 C ATOM 1123 C ASN A 67 10.173 12.919 -21.536 1.00 0.00 C ATOM 1124 O ASN A 67 10.209 12.242 -22.569 1.00 0.00 O ATOM 1125 CB ASN A 67 10.266 11.290 -19.591 1.00 0.00 C ATOM 1126 CG ASN A 67 11.527 11.913 -19.021 1.00 0.00 C ATOM 1127 OD1 ASN A 67 12.541 12.042 -19.691 1.00 0.00 O ATOM 1128 ND2 ASN A 67 11.499 12.354 -17.787 1.00 0.00 N ATOM 0 H ASN A 67 8.219 11.519 -21.823 1.00 0.00 H new ATOM 0 HA ASN A 67 9.160 13.133 -19.625 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.686 10.838 -18.786 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.534 10.489 -20.279 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.323 12.804 -17.387 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.654 12.247 -17.226 1.00 0.00 H new ATOM 1135 N PRO A 68 10.786 14.121 -21.454 1.00 0.00 N ATOM 1136 CA PRO A 68 11.470 14.763 -22.584 1.00 0.00 C ATOM 1137 C PRO A 68 12.454 13.875 -23.362 1.00 0.00 C ATOM 1138 O PRO A 68 12.376 13.807 -24.591 1.00 0.00 O ATOM 1139 CB PRO A 68 12.152 16.007 -22.002 1.00 0.00 C ATOM 1140 CG PRO A 68 11.236 16.385 -20.843 1.00 0.00 C ATOM 1141 CD PRO A 68 10.765 15.031 -20.313 1.00 0.00 C ATOM 0 HA PRO A 68 10.733 15.005 -23.349 1.00 0.00 H new ATOM 0 HB2 PRO A 68 13.165 15.791 -21.663 1.00 0.00 H new ATOM 0 HB3 PRO A 68 12.226 16.809 -22.737 1.00 0.00 H new ATOM 0 HG2 PRO A 68 11.767 16.954 -20.079 1.00 0.00 H new ATOM 0 HG3 PRO A 68 10.400 17.000 -21.175 1.00 0.00 H new ATOM 0 HD2 PRO A 68 11.420 14.674 -19.518 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.763 15.105 -19.891 1.00 0.00 H new ATOM 1149 N GLY A 69 13.354 13.189 -22.644 1.00 0.00 N ATOM 1150 CA GLY A 69 14.377 12.345 -23.290 1.00 0.00 C ATOM 1151 C GLY A 69 14.328 10.852 -22.939 1.00 0.00 C ATOM 1152 O GLY A 69 14.776 10.032 -23.744 1.00 0.00 O ATOM 0 H GLY A 69 13.397 13.199 -21.625 1.00 0.00 H new ATOM 0 HA2 GLY A 69 14.277 12.449 -24.370 1.00 0.00 H new ATOM 0 HA3 GLY A 69 15.361 12.730 -23.022 1.00 0.00 H new ATOM 1156 N SER A 70 13.761 10.475 -21.787 1.00 0.00 N ATOM 1157 CA SER A 70 13.734 9.066 -21.332 1.00 0.00 C ATOM 1158 C SER A 70 12.639 8.224 -22.011 1.00 0.00 C ATOM 1159 O SER A 70 11.950 7.436 -21.362 1.00 0.00 O ATOM 1160 CB SER A 70 13.603 8.985 -19.800 1.00 0.00 C ATOM 1161 OG SER A 70 14.613 9.739 -19.147 1.00 0.00 O ATOM 0 H SER A 70 13.310 11.126 -21.144 1.00 0.00 H new ATOM 0 HA SER A 70 14.688 8.635 -21.634 1.00 0.00 H new ATOM 0 HB2 SER A 70 12.622 9.352 -19.499 1.00 0.00 H new ATOM 0 HB3 SER A 70 13.664 7.944 -19.484 1.00 0.00 H new ATOM 0 HG SER A 70 14.322 10.671 -19.063 1.00 0.00 H new ATOM 1167 N THR A 71 12.444 8.393 -23.323 1.00 0.00 N ATOM 1168 CA THR A 71 11.414 7.707 -24.128 1.00 0.00 C ATOM 1169 C THR A 71 11.484 6.170 -24.065 1.00 0.00 C ATOM 1170 O THR A 71 10.480 5.481 -24.269 1.00 0.00 O ATOM 1171 CB THR A 71 11.446 8.233 -25.576 1.00 0.00 C ATOM 1172 OG1 THR A 71 10.331 7.779 -26.310 1.00 0.00 O ATOM 1173 CG2 THR A 71 12.696 7.821 -26.357 1.00 0.00 C ATOM 0 H THR A 71 13.015 9.031 -23.877 1.00 0.00 H new ATOM 0 HA THR A 71 10.450 7.950 -23.682 1.00 0.00 H new ATOM 0 HB THR A 71 11.440 9.318 -25.470 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.514 8.174 -25.941 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.645 8.229 -27.367 1.00 0.00 H new ATOM 0 HG22 THR A 71 13.583 8.207 -25.854 1.00 0.00 H new ATOM 0 HG23 THR A 71 12.752 6.734 -26.408 1.00 0.00 H new ATOM 1181 N SER A 72 12.653 5.611 -23.734 1.00 0.00 N ATOM 1182 CA SER A 72 12.870 4.174 -23.496 1.00 0.00 C ATOM 1183 C SER A 72 12.232 3.635 -22.204 1.00 0.00 C ATOM 1184 O SER A 72 12.224 2.424 -22.012 1.00 0.00 O ATOM 1185 CB SER A 72 14.376 3.873 -23.464 1.00 0.00 C ATOM 1186 OG SER A 72 15.009 4.365 -24.638 1.00 0.00 O ATOM 0 H SER A 72 13.504 6.162 -23.620 1.00 0.00 H new ATOM 0 HA SER A 72 12.375 3.666 -24.323 1.00 0.00 H new ATOM 0 HB2 SER A 72 14.825 4.331 -22.583 1.00 0.00 H new ATOM 0 HB3 SER A 72 14.536 2.798 -23.381 1.00 0.00 H new ATOM 0 HG SER A 72 15.968 4.166 -24.600 1.00 0.00 H new ATOM 1192 N ALA A 73 11.730 4.495 -21.308 1.00 0.00 N ATOM 1193 CA ALA A 73 11.201 4.040 -20.009 1.00 0.00 C ATOM 1194 C ALA A 73 10.178 2.887 -20.075 1.00 0.00 C ATOM 1195 O ALA A 73 10.430 1.825 -19.508 1.00 0.00 O ATOM 1196 CB ALA A 73 10.623 5.257 -19.275 1.00 0.00 C ATOM 0 H ALA A 73 11.678 5.503 -21.454 1.00 0.00 H new ATOM 0 HA ALA A 73 12.037 3.605 -19.462 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.225 4.944 -18.310 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.409 5.996 -19.121 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.824 5.696 -19.872 1.00 0.00 H new ATOM 1202 N ALA A 74 9.068 3.047 -20.804 1.00 0.00 N ATOM 1203 CA ALA A 74 8.106 1.970 -21.080 1.00 0.00 C ATOM 1204 C ALA A 74 8.732 0.736 -21.767 1.00 0.00 C ATOM 1205 O ALA A 74 8.327 -0.397 -21.501 1.00 0.00 O ATOM 1206 CB ALA A 74 6.962 2.572 -21.887 1.00 0.00 C ATOM 0 H ALA A 74 8.808 3.939 -21.225 1.00 0.00 H new ATOM 0 HA ALA A 74 7.735 1.575 -20.134 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.227 1.798 -22.110 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.488 3.366 -21.310 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.351 2.983 -22.819 1.00 0.00 H new ATOM 1212 N THR A 75 9.755 0.936 -22.601 1.00 0.00 N ATOM 1213 CA THR A 75 10.479 -0.176 -23.240 1.00 0.00 C ATOM 1214 C THR A 75 11.335 -0.958 -22.238 1.00 0.00 C ATOM 1215 O THR A 75 11.341 -2.185 -22.278 1.00 0.00 O ATOM 1216 CB THR A 75 11.349 0.367 -24.389 1.00 0.00 C ATOM 1217 OG1 THR A 75 10.542 1.095 -25.294 1.00 0.00 O ATOM 1218 CG2 THR A 75 12.032 -0.739 -25.195 1.00 0.00 C ATOM 0 H THR A 75 10.105 1.860 -22.853 1.00 0.00 H new ATOM 0 HA THR A 75 9.742 -0.873 -23.639 1.00 0.00 H new ATOM 0 HB THR A 75 12.113 0.989 -23.922 1.00 0.00 H new ATOM 0 HG1 THR A 75 11.098 1.441 -26.023 1.00 0.00 H new ATOM 0 HG21 THR A 75 12.630 -0.293 -25.990 1.00 0.00 H new ATOM 0 HG22 THR A 75 12.678 -1.322 -24.538 1.00 0.00 H new ATOM 0 HG23 THR A 75 11.276 -1.391 -25.632 1.00 0.00 H new ATOM 1226 N CYS A 76 12.004 -0.296 -21.291 1.00 0.00 N ATOM 1227 CA CYS A 76 12.725 -0.951 -20.191 1.00 0.00 C ATOM 1228 C CYS A 76 11.761 -1.588 -19.186 1.00 0.00 C ATOM 1229 O CYS A 76 12.023 -2.685 -18.698 1.00 0.00 O ATOM 1230 CB CYS A 76 13.643 0.072 -19.503 1.00 0.00 C ATOM 1231 SG CYS A 76 14.831 0.765 -20.693 1.00 0.00 S ATOM 0 H CYS A 76 12.062 0.722 -21.264 1.00 0.00 H new ATOM 0 HA CYS A 76 13.332 -1.758 -20.603 1.00 0.00 H new ATOM 0 HB2 CYS A 76 13.044 0.873 -19.070 1.00 0.00 H new ATOM 0 HB3 CYS A 76 14.178 -0.405 -18.682 1.00 0.00 H new ATOM 0 HG CYS A 76 14.211 1.564 -21.510 1.00 0.00 H new ATOM 1237 N THR A 77 10.608 -0.961 -18.937 1.00 0.00 N ATOM 1238 CA THR A 77 9.521 -1.587 -18.169 1.00 0.00 C ATOM 1239 C THR A 77 9.180 -2.998 -18.655 1.00 0.00 C ATOM 1240 O THR A 77 8.901 -3.847 -17.811 1.00 0.00 O ATOM 1241 CB THR A 77 8.286 -0.670 -18.139 1.00 0.00 C ATOM 1242 OG1 THR A 77 8.541 0.350 -17.204 1.00 0.00 O ATOM 1243 CG2 THR A 77 6.981 -1.346 -17.718 1.00 0.00 C ATOM 0 H THR A 77 10.400 -0.015 -19.257 1.00 0.00 H new ATOM 0 HA THR A 77 9.878 -1.712 -17.147 1.00 0.00 H new ATOM 0 HB THR A 77 8.141 -0.322 -19.162 1.00 0.00 H new ATOM 0 HG1 THR A 77 9.133 1.020 -17.605 1.00 0.00 H new ATOM 0 HG21 THR A 77 6.172 -0.615 -17.729 1.00 0.00 H new ATOM 0 HG22 THR A 77 6.749 -2.154 -18.412 1.00 0.00 H new ATOM 0 HG23 THR A 77 7.089 -1.752 -16.712 1.00 0.00 H new ATOM 1251 N ARG A 78 9.295 -3.319 -19.957 1.00 0.00 N ATOM 1252 CA ARG A 78 8.906 -4.635 -20.482 1.00 0.00 C ATOM 1253 C ARG A 78 9.660 -5.768 -19.812 1.00 0.00 C ATOM 1254 O ARG A 78 9.076 -6.828 -19.588 1.00 0.00 O ATOM 1255 CB ARG A 78 9.051 -4.686 -22.019 1.00 0.00 C ATOM 1256 CG ARG A 78 10.412 -5.165 -22.560 1.00 0.00 C ATOM 1257 CD ARG A 78 10.507 -4.950 -24.075 1.00 0.00 C ATOM 1258 NE ARG A 78 11.801 -5.428 -24.605 1.00 0.00 N ATOM 1259 CZ ARG A 78 12.123 -6.664 -24.950 1.00 0.00 C ATOM 1260 NH1 ARG A 78 11.283 -7.657 -24.861 1.00 0.00 N ATOM 1261 NH2 ARG A 78 13.317 -6.931 -25.396 1.00 0.00 N ATOM 0 H ARG A 78 9.656 -2.680 -20.665 1.00 0.00 H new ATOM 0 HA ARG A 78 7.853 -4.777 -20.241 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.275 -5.342 -22.414 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.857 -3.689 -22.414 1.00 0.00 H new ATOM 0 HG2 ARG A 78 11.216 -4.624 -22.061 1.00 0.00 H new ATOM 0 HG3 ARG A 78 10.547 -6.222 -22.330 1.00 0.00 H new ATOM 0 HD2 ARG A 78 9.692 -5.477 -24.571 1.00 0.00 H new ATOM 0 HD3 ARG A 78 10.387 -3.891 -24.302 1.00 0.00 H new ATOM 0 HE ARG A 78 12.530 -4.724 -24.718 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.337 -7.495 -24.515 1.00 0.00 H new ATOM 0 HH12 ARG A 78 11.572 -8.595 -25.138 1.00 0.00 H new ATOM 0 HH21 ARG A 78 14.008 -6.186 -25.480 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.561 -7.885 -25.661 1.00 0.00 H new ATOM 1275 N ARG A 79 10.938 -5.545 -19.457 1.00 0.00 N ATOM 1276 CA ARG A 79 11.789 -6.615 -18.932 1.00 0.00 C ATOM 1277 C ARG A 79 11.650 -6.849 -17.425 1.00 0.00 C ATOM 1278 O ARG A 79 12.176 -7.831 -16.905 1.00 0.00 O ATOM 1279 CB ARG A 79 13.251 -6.425 -19.389 1.00 0.00 C ATOM 1280 CG ARG A 79 14.012 -5.439 -18.491 1.00 0.00 C ATOM 1281 CD ARG A 79 15.359 -4.996 -19.058 1.00 0.00 C ATOM 1282 NE ARG A 79 16.055 -4.142 -18.076 1.00 0.00 N ATOM 1283 CZ ARG A 79 17.007 -3.258 -18.318 1.00 0.00 C ATOM 1284 NH1 ARG A 79 17.466 -3.036 -19.517 1.00 0.00 N ATOM 1285 NH2 ARG A 79 17.519 -2.575 -17.337 1.00 0.00 N ATOM 0 H ARG A 79 11.397 -4.637 -19.525 1.00 0.00 H new ATOM 0 HA ARG A 79 11.424 -7.544 -19.369 1.00 0.00 H new ATOM 0 HB2 ARG A 79 13.761 -7.388 -19.383 1.00 0.00 H new ATOM 0 HB3 ARG A 79 13.265 -6.064 -20.417 1.00 0.00 H new ATOM 0 HG2 ARG A 79 13.391 -4.558 -18.327 1.00 0.00 H new ATOM 0 HG3 ARG A 79 14.173 -5.901 -17.517 1.00 0.00 H new ATOM 0 HD2 ARG A 79 15.970 -5.868 -19.294 1.00 0.00 H new ATOM 0 HD3 ARG A 79 15.211 -4.449 -19.989 1.00 0.00 H new ATOM 0 HE ARG A 79 15.769 -4.246 -17.102 1.00 0.00 H new ATOM 0 HH11 ARG A 79 17.089 -3.554 -20.311 1.00 0.00 H new ATOM 0 HH12 ARG A 79 18.202 -2.345 -19.661 1.00 0.00 H new ATOM 0 HH21 ARG A 79 17.186 -2.722 -16.384 1.00 0.00 H new ATOM 0 HH22 ARG A 79 18.254 -1.892 -17.520 1.00 0.00 H new ATOM 1299 N HIS A 80 10.902 -5.979 -16.742 1.00 0.00 N ATOM 1300 CA HIS A 80 10.528 -6.132 -15.335 1.00 0.00 C ATOM 1301 C HIS A 80 9.022 -6.382 -15.171 1.00 0.00 C ATOM 1302 O HIS A 80 8.630 -7.116 -14.272 1.00 0.00 O ATOM 1303 CB HIS A 80 11.086 -4.959 -14.530 1.00 0.00 C ATOM 1304 CG HIS A 80 12.600 -4.935 -14.537 1.00 0.00 C ATOM 1305 ND1 HIS A 80 13.437 -5.756 -13.813 1.00 0.00 N ATOM 1306 CD2 HIS A 80 13.401 -4.121 -15.290 1.00 0.00 C ATOM 1307 CE1 HIS A 80 14.707 -5.449 -14.133 1.00 0.00 C ATOM 1308 NE2 HIS A 80 14.739 -4.454 -15.039 1.00 0.00 N ATOM 0 H HIS A 80 10.531 -5.128 -17.163 1.00 0.00 H new ATOM 0 HA HIS A 80 10.984 -7.031 -14.920 1.00 0.00 H new ATOM 0 HB2 HIS A 80 10.707 -4.024 -14.942 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.729 -5.023 -13.502 1.00 0.00 H new ATOM 0 HD1 HIS A 80 13.144 -6.473 -13.149 1.00 0.00 H new ATOM 0 HD2 HIS A 80 13.059 -3.350 -15.965 1.00 0.00 H new ATOM 0 HE1 HIS A 80 15.580 -5.933 -13.720 1.00 0.00 H new ATOM 1316 N TYR A 81 8.176 -5.927 -16.101 1.00 0.00 N ATOM 1317 CA TYR A 81 6.762 -6.309 -16.206 1.00 0.00 C ATOM 1318 C TYR A 81 6.612 -7.834 -16.372 1.00 0.00 C ATOM 1319 O TYR A 81 5.690 -8.433 -15.814 1.00 0.00 O ATOM 1320 CB TYR A 81 6.155 -5.546 -17.398 1.00 0.00 C ATOM 1321 CG TYR A 81 4.644 -5.601 -17.562 1.00 0.00 C ATOM 1322 CD1 TYR A 81 4.014 -6.773 -18.028 1.00 0.00 C ATOM 1323 CD2 TYR A 81 3.875 -4.438 -17.340 1.00 0.00 C ATOM 1324 CE1 TYR A 81 2.625 -6.786 -18.256 1.00 0.00 C ATOM 1325 CE2 TYR A 81 2.489 -4.441 -17.592 1.00 0.00 C ATOM 1326 CZ TYR A 81 1.859 -5.619 -18.053 1.00 0.00 C ATOM 1327 OH TYR A 81 0.522 -5.630 -18.312 1.00 0.00 O ATOM 0 H TYR A 81 8.463 -5.265 -16.822 1.00 0.00 H new ATOM 0 HA TYR A 81 6.230 -6.045 -15.292 1.00 0.00 H new ATOM 0 HB2 TYR A 81 6.448 -4.499 -17.313 1.00 0.00 H new ATOM 0 HB3 TYR A 81 6.608 -5.931 -18.312 1.00 0.00 H new ATOM 0 HD1 TYR A 81 4.598 -7.663 -18.210 1.00 0.00 H new ATOM 0 HD2 TYR A 81 4.352 -3.541 -16.975 1.00 0.00 H new ATOM 0 HE1 TYR A 81 2.143 -7.694 -18.588 1.00 0.00 H new ATOM 0 HE2 TYR A 81 1.909 -3.544 -17.433 1.00 0.00 H new ATOM 0 HH TYR A 81 0.144 -4.747 -18.119 1.00 0.00 H new ATOM 1337 N GLU A 82 7.570 -8.495 -17.045 1.00 0.00 N ATOM 1338 CA GLU A 82 7.599 -9.950 -17.200 1.00 0.00 C ATOM 1339 C GLU A 82 7.941 -10.691 -15.896 1.00 0.00 C ATOM 1340 O GLU A 82 7.916 -11.923 -15.879 1.00 0.00 O ATOM 1341 CB GLU A 82 8.489 -10.383 -18.378 1.00 0.00 C ATOM 1342 CG GLU A 82 9.984 -10.108 -18.194 1.00 0.00 C ATOM 1343 CD GLU A 82 10.808 -10.828 -19.280 1.00 0.00 C ATOM 1344 OE1 GLU A 82 10.937 -12.075 -19.205 1.00 0.00 O ATOM 1345 OE2 GLU A 82 11.331 -10.158 -20.203 1.00 0.00 O ATOM 0 H GLU A 82 8.352 -8.024 -17.500 1.00 0.00 H new ATOM 0 HA GLU A 82 6.581 -10.251 -17.445 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.349 -11.451 -18.546 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.149 -9.871 -19.278 1.00 0.00 H new ATOM 0 HG2 GLU A 82 10.170 -9.035 -18.241 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.302 -10.444 -17.207 1.00 0.00 H new ATOM 1352 N ARG A 83 8.232 -9.962 -14.802 1.00 0.00 N ATOM 1353 CA ARG A 83 8.367 -10.557 -13.464 1.00 0.00 C ATOM 1354 C ARG A 83 7.523 -9.891 -12.365 1.00 0.00 C ATOM 1355 O ARG A 83 7.289 -10.536 -11.349 1.00 0.00 O ATOM 1356 CB ARG A 83 9.847 -10.600 -13.030 1.00 0.00 C ATOM 1357 CG ARG A 83 10.767 -11.454 -13.915 1.00 0.00 C ATOM 1358 CD ARG A 83 10.426 -12.954 -13.895 1.00 0.00 C ATOM 1359 NE ARG A 83 11.325 -13.711 -14.790 1.00 0.00 N ATOM 1360 CZ ARG A 83 11.277 -13.734 -16.112 1.00 0.00 C ATOM 1361 NH1 ARG A 83 10.286 -13.231 -16.783 1.00 0.00 N ATOM 1362 NH2 ARG A 83 12.247 -14.250 -16.806 1.00 0.00 N ATOM 0 H ARG A 83 8.379 -8.953 -14.822 1.00 0.00 H new ATOM 0 HA ARG A 83 7.970 -11.566 -13.571 1.00 0.00 H new ATOM 0 HB2 ARG A 83 10.233 -9.581 -13.011 1.00 0.00 H new ATOM 0 HB3 ARG A 83 9.898 -10.979 -12.009 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.709 -11.091 -14.941 1.00 0.00 H new ATOM 0 HG3 ARG A 83 11.798 -11.320 -13.587 1.00 0.00 H new ATOM 0 HD2 ARG A 83 10.512 -13.337 -12.878 1.00 0.00 H new ATOM 0 HD3 ARG A 83 9.391 -13.100 -14.204 1.00 0.00 H new ATOM 0 HE ARG A 83 12.053 -14.270 -14.346 1.00 0.00 H new ATOM 0 HH11 ARG A 83 9.505 -12.797 -16.291 1.00 0.00 H new ATOM 0 HH12 ARG A 83 10.288 -13.270 -17.802 1.00 0.00 H new ATOM 0 HH21 ARG A 83 13.059 -14.644 -16.332 1.00 0.00 H new ATOM 0 HH22 ARG A 83 12.196 -14.261 -17.825 1.00 0.00 H new ATOM 1376 N LEU A 84 7.035 -8.659 -12.565 1.00 0.00 N ATOM 1377 CA LEU A 84 6.263 -7.933 -11.543 1.00 0.00 C ATOM 1378 C LEU A 84 4.745 -7.963 -11.794 1.00 0.00 C ATOM 1379 O LEU A 84 3.989 -7.502 -10.945 1.00 0.00 O ATOM 1380 CB LEU A 84 6.738 -6.468 -11.466 1.00 0.00 C ATOM 1381 CG LEU A 84 7.890 -6.204 -10.483 1.00 0.00 C ATOM 1382 CD1 LEU A 84 9.238 -6.713 -10.988 1.00 0.00 C ATOM 1383 CD2 LEU A 84 7.989 -4.693 -10.267 1.00 0.00 C ATOM 0 H LEU A 84 7.162 -8.139 -13.433 1.00 0.00 H new ATOM 0 HA LEU A 84 6.443 -8.445 -10.598 1.00 0.00 H new ATOM 0 HB2 LEU A 84 7.051 -6.152 -12.461 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.891 -5.843 -11.184 1.00 0.00 H new ATOM 0 HG LEU A 84 7.669 -6.741 -9.561 1.00 0.00 H new ATOM 0 HD11 LEU A 84 10.009 -6.496 -10.249 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.183 -7.790 -11.150 1.00 0.00 H new ATOM 0 HD13 LEU A 84 9.486 -6.217 -11.927 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.800 -4.477 -9.572 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.187 -4.201 -11.220 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.050 -4.322 -9.855 1.00 0.00 H new ATOM 1395 N ILE A 85 4.277 -8.496 -12.926 1.00 0.00 N ATOM 1396 CA ILE A 85 2.832 -8.700 -13.138 1.00 0.00 C ATOM 1397 C ILE A 85 2.483 -9.806 -14.130 1.00 0.00 C ATOM 1398 O ILE A 85 1.427 -10.405 -13.973 1.00 0.00 O ATOM 1399 CB ILE A 85 2.132 -7.364 -13.476 1.00 0.00 C ATOM 1400 CG1 ILE A 85 0.601 -7.515 -13.329 1.00 0.00 C ATOM 1401 CG2 ILE A 85 2.518 -6.839 -14.864 1.00 0.00 C ATOM 1402 CD1 ILE A 85 -0.105 -6.187 -13.061 1.00 0.00 C ATOM 0 H ILE A 85 4.866 -8.793 -13.704 1.00 0.00 H new ATOM 0 HA ILE A 85 2.441 -9.064 -12.188 1.00 0.00 H new ATOM 0 HB ILE A 85 2.477 -6.616 -12.762 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.196 -7.959 -14.238 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.386 -8.206 -12.514 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.000 -5.899 -15.054 1.00 0.00 H new ATOM 0 HG22 ILE A 85 3.595 -6.675 -14.904 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.234 -7.570 -15.621 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.177 -6.358 -12.967 1.00 0.00 H new ATOM 0 HD12 ILE A 85 0.276 -5.753 -12.136 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.083 -5.502 -13.888 1.00 0.00 H new ATOM 1414 N LEU A 86 3.359 -10.176 -15.067 1.00 0.00 N ATOM 1415 CA LEU A 86 3.183 -11.387 -15.880 1.00 0.00 C ATOM 1416 C LEU A 86 2.910 -12.670 -15.045 1.00 0.00 C ATOM 1417 O LEU A 86 2.044 -13.450 -15.448 1.00 0.00 O ATOM 1418 CB LEU A 86 4.385 -11.494 -16.831 1.00 0.00 C ATOM 1419 CG LEU A 86 4.367 -12.534 -17.969 1.00 0.00 C ATOM 1420 CD1 LEU A 86 4.712 -13.950 -17.507 1.00 0.00 C ATOM 1421 CD2 LEU A 86 3.044 -12.542 -18.735 1.00 0.00 C ATOM 0 H LEU A 86 4.206 -9.650 -15.285 1.00 0.00 H new ATOM 0 HA LEU A 86 2.272 -11.299 -16.471 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.528 -10.514 -17.287 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.266 -11.693 -16.221 1.00 0.00 H new ATOM 0 HG LEU A 86 5.157 -12.211 -18.647 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.680 -14.629 -18.359 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.712 -13.958 -17.074 1.00 0.00 H new ATOM 0 HD13 LEU A 86 3.990 -14.274 -16.758 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.085 -13.292 -19.525 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.229 -12.780 -18.051 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.873 -11.560 -19.176 1.00 0.00 H new ATOM 1433 N PRO A 87 3.532 -12.904 -13.863 1.00 0.00 N ATOM 1434 CA PRO A 87 3.130 -14.014 -12.991 1.00 0.00 C ATOM 1435 C PRO A 87 1.794 -13.809 -12.247 1.00 0.00 C ATOM 1436 O PRO A 87 1.225 -14.801 -11.790 1.00 0.00 O ATOM 1437 CB PRO A 87 4.291 -14.216 -12.012 1.00 0.00 C ATOM 1438 CG PRO A 87 4.935 -12.837 -11.934 1.00 0.00 C ATOM 1439 CD PRO A 87 4.760 -12.298 -13.352 1.00 0.00 C ATOM 0 HA PRO A 87 2.937 -14.895 -13.604 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.939 -14.550 -11.036 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.994 -14.967 -12.372 1.00 0.00 H new ATOM 0 HG2 PRO A 87 4.443 -12.202 -11.197 1.00 0.00 H new ATOM 0 HG3 PRO A 87 5.986 -12.897 -11.652 1.00 0.00 H new ATOM 0 HD2 PRO A 87 4.687 -11.210 -13.350 1.00 0.00 H new ATOM 0 HD3 PRO A 87 5.614 -12.559 -13.977 1.00 0.00 H new ATOM 1447 N TYR A 88 1.269 -12.576 -12.120 1.00 0.00 N ATOM 1448 CA TYR A 88 0.006 -12.322 -11.398 1.00 0.00 C ATOM 1449 C TYR A 88 -1.215 -12.137 -12.312 1.00 0.00 C ATOM 1450 O TYR A 88 -2.269 -12.674 -11.989 1.00 0.00 O ATOM 1451 CB TYR A 88 0.188 -11.183 -10.380 1.00 0.00 C ATOM 1452 CG TYR A 88 0.422 -11.673 -8.955 1.00 0.00 C ATOM 1453 CD1 TYR A 88 1.347 -12.702 -8.680 1.00 0.00 C ATOM 1454 CD2 TYR A 88 -0.327 -11.123 -7.897 1.00 0.00 C ATOM 1455 CE1 TYR A 88 1.508 -13.187 -7.365 1.00 0.00 C ATOM 1456 CE2 TYR A 88 -0.166 -11.600 -6.582 1.00 0.00 C ATOM 1457 CZ TYR A 88 0.755 -12.632 -6.310 1.00 0.00 C ATOM 1458 OH TYR A 88 0.908 -13.084 -5.035 1.00 0.00 O ATOM 0 H TYR A 88 1.701 -11.738 -12.509 1.00 0.00 H new ATOM 0 HA TYR A 88 -0.230 -13.229 -10.842 1.00 0.00 H new ATOM 0 HB2 TYR A 88 1.031 -10.564 -10.686 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -0.697 -10.547 -10.396 1.00 0.00 H new ATOM 0 HD1 TYR A 88 1.936 -13.122 -9.482 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -1.031 -10.328 -8.096 1.00 0.00 H new ATOM 0 HE1 TYR A 88 2.209 -13.984 -7.166 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -0.750 -11.174 -5.779 1.00 0.00 H new ATOM 0 HH TYR A 88 0.310 -12.587 -4.438 1.00 0.00 H new ATOM 1468 N GLU A 89 -1.072 -11.535 -13.500 1.00 0.00 N ATOM 1469 CA GLU A 89 -2.136 -11.541 -14.535 1.00 0.00 C ATOM 1470 C GLU A 89 -2.639 -12.956 -14.893 1.00 0.00 C ATOM 1471 O GLU A 89 -3.731 -13.118 -15.435 1.00 0.00 O ATOM 1472 CB GLU A 89 -1.692 -10.775 -15.797 1.00 0.00 C ATOM 1473 CG GLU A 89 -0.564 -11.426 -16.620 1.00 0.00 C ATOM 1474 CD GLU A 89 -1.030 -12.520 -17.605 1.00 0.00 C ATOM 1475 OE1 GLU A 89 -1.706 -12.187 -18.606 1.00 0.00 O ATOM 1476 OE2 GLU A 89 -0.678 -13.711 -17.424 1.00 0.00 O ATOM 0 H GLU A 89 -0.228 -11.033 -13.777 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.986 -11.021 -14.093 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -2.560 -10.647 -16.444 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -1.368 -9.778 -15.498 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -0.047 -10.648 -17.181 1.00 0.00 H new ATOM 0 HG3 GLU A 89 0.163 -11.860 -15.934 1.00 0.00 H new ATOM 1483 N ARG A 90 -1.865 -13.973 -14.495 1.00 0.00 N ATOM 1484 CA ARG A 90 -2.287 -15.371 -14.604 1.00 0.00 C ATOM 1485 C ARG A 90 -3.609 -15.673 -13.886 1.00 0.00 C ATOM 1486 O ARG A 90 -4.363 -16.510 -14.385 1.00 0.00 O ATOM 1487 CB ARG A 90 -1.125 -16.271 -14.138 1.00 0.00 C ATOM 1488 CG ARG A 90 -1.086 -17.661 -14.799 1.00 0.00 C ATOM 1489 CD ARG A 90 -1.148 -17.649 -16.338 1.00 0.00 C ATOM 1490 NE ARG A 90 -0.344 -16.564 -16.941 1.00 0.00 N ATOM 1491 CZ ARG A 90 0.848 -16.629 -17.493 1.00 0.00 C ATOM 1492 NH1 ARG A 90 1.535 -17.732 -17.594 1.00 0.00 N ATOM 1493 NH2 ARG A 90 1.355 -15.532 -17.961 1.00 0.00 N ATOM 0 H ARG A 90 -0.936 -13.850 -14.092 1.00 0.00 H new ATOM 0 HA ARG A 90 -2.510 -15.586 -15.649 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -0.184 -15.760 -14.340 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -1.192 -16.399 -13.058 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -0.172 -18.168 -14.491 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -1.921 -18.251 -14.421 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -0.796 -18.608 -16.718 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -2.186 -17.543 -16.653 1.00 0.00 H new ATOM 0 HE ARG A 90 -0.773 -15.639 -16.927 1.00 0.00 H new ATOM 0 HH11 ARG A 90 1.152 -18.606 -17.234 1.00 0.00 H new ATOM 0 HH12 ARG A 90 2.456 -17.721 -18.033 1.00 0.00 H new ATOM 0 HH21 ARG A 90 0.832 -14.659 -17.894 1.00 0.00 H new ATOM 0 HH22 ARG A 90 2.277 -15.542 -18.397 1.00 0.00 H new ATOM 1507 N PHE A 91 -3.968 -14.959 -12.809 1.00 0.00 N ATOM 1508 CA PHE A 91 -5.304 -15.097 -12.196 1.00 0.00 C ATOM 1509 C PHE A 91 -6.485 -14.746 -13.125 1.00 0.00 C ATOM 1510 O PHE A 91 -7.595 -15.227 -12.892 1.00 0.00 O ATOM 1511 CB PHE A 91 -5.404 -14.393 -10.823 1.00 0.00 C ATOM 1512 CG PHE A 91 -4.948 -12.944 -10.664 1.00 0.00 C ATOM 1513 CD1 PHE A 91 -5.261 -11.938 -11.605 1.00 0.00 C ATOM 1514 CD2 PHE A 91 -4.216 -12.590 -9.511 1.00 0.00 C ATOM 1515 CE1 PHE A 91 -4.785 -10.624 -11.431 1.00 0.00 C ATOM 1516 CE2 PHE A 91 -3.764 -11.272 -9.323 1.00 0.00 C ATOM 1517 CZ PHE A 91 -4.029 -10.293 -10.293 1.00 0.00 C ATOM 0 H PHE A 91 -3.360 -14.284 -12.345 1.00 0.00 H new ATOM 0 HA PHE A 91 -5.407 -16.167 -12.018 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -6.448 -14.439 -10.513 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.834 -14.991 -10.112 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -5.870 -12.178 -12.464 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -4.000 -13.340 -8.764 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -5.001 -9.870 -12.173 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.212 -11.013 -8.431 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.653 -9.288 -10.166 1.00 0.00 H new ATOM 1527 N ILE A 92 -6.277 -13.971 -14.200 1.00 0.00 N ATOM 1528 CA ILE A 92 -7.364 -13.617 -15.134 1.00 0.00 C ATOM 1529 C ILE A 92 -7.668 -14.713 -16.172 1.00 0.00 C ATOM 1530 O ILE A 92 -8.680 -14.634 -16.868 1.00 0.00 O ATOM 1531 CB ILE A 92 -7.096 -12.239 -15.789 1.00 0.00 C ATOM 1532 CG1 ILE A 92 -8.441 -11.500 -15.944 1.00 0.00 C ATOM 1533 CG2 ILE A 92 -6.355 -12.322 -17.139 1.00 0.00 C ATOM 1534 CD1 ILE A 92 -8.305 -10.055 -16.430 1.00 0.00 C ATOM 0 H ILE A 92 -5.369 -13.577 -14.446 1.00 0.00 H new ATOM 0 HA ILE A 92 -8.275 -13.538 -14.540 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.425 -11.687 -15.131 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.068 -12.051 -16.645 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -8.958 -11.503 -14.984 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -6.205 -11.317 -17.534 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -5.388 -12.803 -16.994 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -6.948 -12.904 -17.844 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -9.294 -9.605 -16.513 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.706 -9.487 -15.718 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.818 -10.043 -17.405 1.00 0.00 H new ATOM 1546 N LYS A 93 -6.812 -15.742 -16.259 1.00 0.00 N ATOM 1547 CA LYS A 93 -6.895 -16.755 -17.333 1.00 0.00 C ATOM 1548 C LYS A 93 -6.646 -18.198 -16.872 1.00 0.00 C ATOM 1549 O LYS A 93 -7.056 -19.128 -17.568 1.00 0.00 O ATOM 1550 CB LYS A 93 -5.957 -16.336 -18.482 1.00 0.00 C ATOM 1551 CG LYS A 93 -4.493 -16.122 -18.044 1.00 0.00 C ATOM 1552 CD LYS A 93 -3.571 -15.604 -19.158 1.00 0.00 C ATOM 1553 CE LYS A 93 -4.109 -14.312 -19.790 1.00 0.00 C ATOM 1554 NZ LYS A 93 -3.070 -13.598 -20.563 1.00 0.00 N ATOM 0 H LYS A 93 -6.051 -15.899 -15.599 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.927 -16.776 -17.684 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -5.986 -17.100 -19.259 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -6.332 -15.414 -18.927 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -4.474 -15.416 -17.214 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -4.096 -17.065 -17.669 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -2.576 -15.423 -18.751 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.466 -16.369 -19.928 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.948 -14.551 -20.444 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.492 -13.658 -19.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.523 -12.983 -21.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -2.494 -13.020 -19.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -2.461 -14.289 -21.046 1.00 0.00 H new