USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 914 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 11 TYR OH : rot 47:sc= 0.0563 USER MOD Set 1.2: A 106 THR OG1 : rot 75:sc= 1.25 USER MOD Set 2.1: A 84 ASN : amide:sc= 1.62 K(o=2.7,f=-3.1) USER MOD Set 2.2: A 87 LYS NZ :NH3+ 170:sc= 1.12 (180deg=0) USER MOD Set 3.1: A 66 TYR OH : rot 180:sc= 0.596 USER MOD Set 3.2: A 74 LYS NZ :NH3+ 140:sc= 0.653 (180deg=0.00978) USER MOD Set 4.1: A 42 CYS SG : rot -120:sc= -0.307 USER MOD Set 4.2: A 62 CYS SG : rot 175:sc= 0.0685 USER MOD Set 5.1: A 17 GLN : amide:sc= 0.874 K(o=1.9,f=-4.2!) USER MOD Set 5.2: A 20 LYS NZ :NH3+ -172:sc= 1.04 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.178 X(o=-0.18,f=-0.18) USER MOD Single : A 6 SER OG : rot 77:sc= 0.00248 USER MOD Single : A 7 GLN : amide:sc= 0.41 X(o=0.41,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.229 K(o=-0.23,f=-3.4!) USER MOD Single : A 14 GLN :FLIP amide:sc= -0.761 F(o=-1.5,f=-0.76) USER MOD Single : A 16 LYS NZ :NH3+ -144:sc= -0.0177 (180deg=-1.55!) USER MOD Single : A 21 THR OG1 : rot -50:sc= 1.17 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 165:sc= 0.769 (180deg=0.672) USER MOD Single : A 41 THR OG1 : rot 77:sc= 0.673 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 THR OG1 : rot 64:sc= 0.121 USER MOD Single : A 54 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00455) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= 0.319 X(o=0.32,f=-0.0089) USER MOD Single : A 69 THR OG1 : rot 82:sc= 0.307 USER MOD Single : A 78 THR OG1 : rot -88:sc= 0.0139 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= -0.155 USER MOD Single : A 92 LYS NZ :NH3+ 173:sc= 1.79 (180deg=1.7) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 ASN : amide:sc= 0.695 K(o=0.7,f=0) USER MOD Single : A 98 GLN : amide:sc= -0.0116 X(o=-0.012,f=-0.33) USER MOD Single : A 100 MET CE :methyl 168:sc= 0 (180deg=-0.294) USER MOD Single : A 105 GLN : amide:sc= -0.179 K(o=-0.18,f=-1.1) USER MOD Single : A 111 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0501) USER MOD ----------------------------------------------------------------- ATOM 43 N GLY A 2 0.829 1.357 2.626 1.00 25.00 N ATOM 44 CA GLY A 2 0.202 2.180 3.648 1.00 25.00 C ATOM 45 C GLY A 2 -0.174 3.541 3.103 1.00 25.00 C ATOM 46 O GLY A 2 -1.192 4.126 3.486 1.00 25.00 O ATOM 0 HA2 GLY A 2 -0.689 1.678 4.026 1.00 25.00 H new ATOM 0 HA3 GLY A 2 0.883 2.299 4.491 1.00 25.00 H new ATOM 50 N GLN A 3 0.626 4.049 2.184 1.00 25.00 N ATOM 51 CA GLN A 3 0.369 5.364 1.621 1.00 25.00 C ATOM 52 C GLN A 3 -0.878 5.368 0.740 1.00 25.00 C ATOM 53 O GLN A 3 -1.596 6.362 0.705 1.00 25.00 O ATOM 54 CB GLN A 3 1.590 5.851 0.840 1.00 25.00 C ATOM 55 CG GLN A 3 2.826 6.058 1.729 1.00 25.00 C ATOM 56 CD GLN A 3 2.588 7.049 2.849 1.00 25.00 C ATOM 57 OE1 GLN A 3 2.614 6.704 4.018 1.00 25.00 O ATOM 58 NE2 GLN A 3 2.354 8.287 2.495 1.00 25.00 N ATOM 0 H GLN A 3 1.451 3.578 1.814 1.00 25.00 H new ATOM 0 HA GLN A 3 0.182 6.051 2.446 1.00 25.00 H new ATOM 0 HB2 GLN A 3 1.827 5.128 0.059 1.00 25.00 H new ATOM 0 HB3 GLN A 3 1.346 6.789 0.342 1.00 25.00 H new ATOM 0 HG2 GLN A 3 3.125 5.100 2.156 1.00 25.00 H new ATOM 0 HG3 GLN A 3 3.656 6.406 1.114 1.00 25.00 H new ATOM 0 HE21 GLN A 3 2.340 8.541 1.507 1.00 25.00 H new ATOM 0 HE22 GLN A 3 2.186 8.998 3.207 1.00 25.00 H new ATOM 67 N GLU A 4 -1.167 4.267 0.057 1.00 25.00 N ATOM 68 CA GLU A 4 -2.390 4.192 -0.751 1.00 25.00 C ATOM 69 C GLU A 4 -3.581 3.749 0.115 1.00 25.00 C ATOM 70 O GLU A 4 -4.709 4.168 -0.123 1.00 25.00 O ATOM 71 CB GLU A 4 -2.186 3.318 -2.003 1.00 25.00 C ATOM 72 CG GLU A 4 -2.032 1.829 -1.759 1.00 25.00 C ATOM 73 CD GLU A 4 -1.352 1.110 -2.915 1.00 25.00 C ATOM 74 OE1 GLU A 4 -1.582 1.476 -4.082 1.00 25.00 O ATOM 75 OE2 GLU A 4 -0.551 0.183 -2.650 1.00 25.00 O ATOM 0 H GLU A 4 -0.588 3.427 0.042 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.627 5.188 -1.124 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -3.035 3.470 -2.670 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -1.300 3.673 -2.529 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -1.453 1.672 -0.849 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -3.015 1.389 -1.591 1.00 25.00 H new ATOM 82 N LEU A 5 -3.320 3.010 1.190 1.00 25.00 N ATOM 83 CA LEU A 5 -4.376 2.647 2.146 1.00 25.00 C ATOM 84 C LEU A 5 -4.938 3.907 2.809 1.00 25.00 C ATOM 85 O LEU A 5 -6.147 4.037 2.969 1.00 25.00 O ATOM 86 CB LEU A 5 -3.843 1.685 3.219 1.00 25.00 C ATOM 87 CG LEU A 5 -3.630 0.217 2.796 1.00 25.00 C ATOM 88 CD1 LEU A 5 -2.930 -0.558 3.919 1.00 25.00 C ATOM 89 CD2 LEU A 5 -4.942 -0.473 2.447 1.00 25.00 C ATOM 0 H LEU A 5 -2.395 2.650 1.425 1.00 25.00 H new ATOM 0 HA LEU A 5 -5.171 2.141 1.598 1.00 25.00 H new ATOM 0 HB2 LEU A 5 -2.892 2.075 3.582 1.00 25.00 H new ATOM 0 HB3 LEU A 5 -4.535 1.699 4.061 1.00 25.00 H new ATOM 0 HG LEU A 5 -3.006 0.225 1.903 1.00 25.00 H new ATOM 0 HD11 LEU A 5 -2.784 -1.593 3.611 1.00 25.00 H new ATOM 0 HD12 LEU A 5 -1.962 -0.102 4.127 1.00 25.00 H new ATOM 0 HD13 LEU A 5 -3.545 -0.531 4.818 1.00 25.00 H new ATOM 0 HD21 LEU A 5 -4.744 -1.504 2.155 1.00 25.00 H new ATOM 0 HD22 LEU A 5 -5.601 -0.462 3.315 1.00 25.00 H new ATOM 0 HD23 LEU A 5 -5.421 0.053 1.621 1.00 25.00 H new ATOM 101 N SER A 6 -4.069 4.865 3.120 1.00 25.00 N ATOM 102 CA SER A 6 -4.494 6.178 3.629 1.00 25.00 C ATOM 103 C SER A 6 -5.421 6.958 2.692 1.00 25.00 C ATOM 104 O SER A 6 -6.071 7.902 3.124 1.00 25.00 O ATOM 105 CB SER A 6 -3.273 7.072 3.862 1.00 25.00 C ATOM 106 OG SER A 6 -2.353 6.491 4.760 1.00 25.00 O ATOM 0 H SER A 6 -3.058 4.761 3.030 1.00 25.00 H new ATOM 0 HA SER A 6 -5.041 5.950 4.544 1.00 25.00 H new ATOM 0 HB2 SER A 6 -2.778 7.264 2.910 1.00 25.00 H new ATOM 0 HB3 SER A 6 -3.599 8.036 4.252 1.00 25.00 H new ATOM 0 HG SER A 6 -1.840 5.795 4.298 1.00 25.00 H new ATOM 112 N GLN A 7 -5.443 6.610 1.412 1.00 25.00 N ATOM 113 CA GLN A 7 -6.243 7.348 0.435 1.00 25.00 C ATOM 114 C GLN A 7 -7.602 6.687 0.213 1.00 25.00 C ATOM 115 O GLN A 7 -8.512 7.303 -0.334 1.00 25.00 O ATOM 116 CB GLN A 7 -5.478 7.455 -0.889 1.00 25.00 C ATOM 117 CG GLN A 7 -4.183 8.255 -0.755 1.00 25.00 C ATOM 118 CD GLN A 7 -3.353 8.245 -2.019 1.00 25.00 C ATOM 119 OE1 GLN A 7 -3.731 8.803 -3.033 1.00 25.00 O ATOM 120 NE2 GLN A 7 -2.205 7.628 -1.952 1.00 25.00 N ATOM 0 H GLN A 7 -4.919 5.825 1.024 1.00 25.00 H new ATOM 0 HA GLN A 7 -6.423 8.348 0.828 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -5.247 6.454 -1.253 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -6.116 7.926 -1.636 1.00 25.00 H new ATOM 0 HG2 GLN A 7 -4.424 9.285 -0.492 1.00 25.00 H new ATOM 0 HG3 GLN A 7 -3.592 7.846 0.065 1.00 25.00 H new ATOM 0 HE21 GLN A 7 -1.921 7.171 -1.085 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -1.591 7.602 -2.766 1.00 25.00 H new ATOM 129 N HIS A 8 -7.761 5.453 0.671 1.00 25.00 N ATOM 130 CA HIS A 8 -9.053 4.781 0.562 1.00 25.00 C ATOM 131 C HIS A 8 -9.878 5.146 1.784 1.00 25.00 C ATOM 132 O HIS A 8 -9.749 4.521 2.829 1.00 25.00 O ATOM 133 CB HIS A 8 -8.896 3.263 0.480 1.00 25.00 C ATOM 134 CG HIS A 8 -10.173 2.552 0.146 1.00 25.00 C ATOM 135 ND1 HIS A 8 -10.388 1.211 0.335 1.00 25.00 N ATOM 136 CD2 HIS A 8 -11.337 3.023 -0.385 1.00 25.00 C ATOM 137 CE1 HIS A 8 -11.625 0.926 -0.062 1.00 25.00 C ATOM 138 NE2 HIS A 8 -12.252 1.996 -0.506 1.00 25.00 N ATOM 0 H HIS A 8 -7.026 4.902 1.115 1.00 25.00 H new ATOM 0 HA HIS A 8 -9.546 5.106 -0.354 1.00 25.00 H new ATOM 0 HB2 HIS A 8 -8.146 3.022 -0.274 1.00 25.00 H new ATOM 0 HB3 HIS A 8 -8.520 2.892 1.433 1.00 25.00 H new ATOM 0 HD2 HIS A 8 -11.517 4.049 -0.669 1.00 25.00 H new ATOM 0 HE1 HIS A 8 -12.062 -0.061 -0.025 1.00 25.00 H new ATOM 0 HE2 HIS A 8 -13.206 2.053 -0.862 1.00 25.00 H new ATOM 146 N GLU A 9 -10.703 6.174 1.674 1.00 25.00 N ATOM 147 CA GLU A 9 -11.438 6.679 2.833 1.00 25.00 C ATOM 148 C GLU A 9 -12.298 5.625 3.542 1.00 25.00 C ATOM 149 O GLU A 9 -12.431 5.668 4.755 1.00 25.00 O ATOM 150 CB GLU A 9 -12.277 7.902 2.449 1.00 25.00 C ATOM 151 CG GLU A 9 -13.421 7.623 1.480 1.00 25.00 C ATOM 152 CD GLU A 9 -14.145 8.896 1.069 1.00 25.00 C ATOM 153 OE1 GLU A 9 -13.918 9.951 1.704 1.00 25.00 O ATOM 154 OE2 GLU A 9 -14.929 8.842 0.100 1.00 25.00 O ATOM 0 H GLU A 9 -10.883 6.675 0.804 1.00 25.00 H new ATOM 0 HA GLU A 9 -10.680 6.972 3.560 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -12.690 8.340 3.358 1.00 25.00 H new ATOM 0 HB3 GLU A 9 -11.620 8.650 2.005 1.00 25.00 H new ATOM 0 HG2 GLU A 9 -13.031 7.126 0.592 1.00 25.00 H new ATOM 0 HG3 GLU A 9 -14.130 6.937 1.944 1.00 25.00 H new ATOM 161 N ARG A 10 -12.817 4.641 2.815 1.00 25.00 N ATOM 162 CA ARG A 10 -13.617 3.575 3.437 1.00 25.00 C ATOM 163 C ARG A 10 -12.757 2.664 4.311 1.00 25.00 C ATOM 164 O ARG A 10 -13.171 2.250 5.388 1.00 25.00 O ATOM 165 CB ARG A 10 -14.313 2.737 2.368 1.00 25.00 C ATOM 166 CG ARG A 10 -15.213 3.551 1.437 1.00 25.00 C ATOM 167 CD ARG A 10 -15.925 2.645 0.446 1.00 25.00 C ATOM 168 NE ARG A 10 -16.927 1.799 1.116 1.00 25.00 N ATOM 169 CZ ARG A 10 -17.526 0.744 0.575 1.00 25.00 C ATOM 170 NH1 ARG A 10 -17.264 0.337 -0.644 1.00 25.00 N ATOM 171 NH2 ARG A 10 -18.406 0.085 1.275 1.00 25.00 N ATOM 0 H ARG A 10 -12.704 4.553 1.805 1.00 25.00 H new ATOM 0 HA ARG A 10 -14.363 4.057 4.069 1.00 25.00 H new ATOM 0 HB2 ARG A 10 -13.558 2.225 1.772 1.00 25.00 H new ATOM 0 HB3 ARG A 10 -14.911 1.967 2.855 1.00 25.00 H new ATOM 0 HG2 ARG A 10 -15.947 4.103 2.024 1.00 25.00 H new ATOM 0 HG3 ARG A 10 -14.616 4.288 0.899 1.00 25.00 H new ATOM 0 HD2 ARG A 10 -16.411 3.251 -0.319 1.00 25.00 H new ATOM 0 HD3 ARG A 10 -15.195 2.015 -0.062 1.00 25.00 H new ATOM 0 HE ARG A 10 -17.182 2.043 2.073 1.00 25.00 H new ATOM 0 HH11 ARG A 10 -16.579 0.836 -1.212 1.00 25.00 H new ATOM 0 HH12 ARG A 10 -17.745 -0.478 -1.024 1.00 25.00 H new ATOM 0 HH21 ARG A 10 -18.627 0.381 2.226 1.00 25.00 H new ATOM 0 HH22 ARG A 10 -18.874 -0.727 0.872 1.00 25.00 H new ATOM 185 N TYR A 11 -11.539 2.387 3.875 1.00 25.00 N ATOM 186 CA TYR A 11 -10.620 1.599 4.686 1.00 25.00 C ATOM 187 C TYR A 11 -10.204 2.438 5.882 1.00 25.00 C ATOM 188 O TYR A 11 -10.176 1.967 7.026 1.00 25.00 O ATOM 189 CB TYR A 11 -9.389 1.210 3.877 1.00 25.00 C ATOM 190 CG TYR A 11 -8.366 0.478 4.701 1.00 25.00 C ATOM 191 CD1 TYR A 11 -8.622 -0.821 5.171 1.00 25.00 C ATOM 192 CD2 TYR A 11 -7.139 1.083 5.033 1.00 25.00 C ATOM 193 CE1 TYR A 11 -7.672 -1.503 5.962 1.00 25.00 C ATOM 194 CE2 TYR A 11 -6.181 0.392 5.822 1.00 25.00 C ATOM 195 CZ TYR A 11 -6.462 -0.892 6.282 1.00 25.00 C ATOM 196 OH TYR A 11 -5.543 -1.556 7.054 1.00 25.00 O ATOM 0 H TYR A 11 -11.165 2.691 2.976 1.00 25.00 H new ATOM 0 HA TYR A 11 -11.113 0.684 5.014 1.00 25.00 H new ATOM 0 HB2 TYR A 11 -9.692 0.582 3.039 1.00 25.00 H new ATOM 0 HB3 TYR A 11 -8.937 2.108 3.456 1.00 25.00 H new ATOM 0 HD1 TYR A 11 -9.556 -1.303 4.924 1.00 25.00 H new ATOM 0 HD2 TYR A 11 -6.924 2.082 4.684 1.00 25.00 H new ATOM 0 HE1 TYR A 11 -7.884 -2.500 6.319 1.00 25.00 H new ATOM 0 HE2 TYR A 11 -5.239 0.861 6.064 1.00 25.00 H new ATOM 0 HH TYR A 11 -5.434 -2.470 6.719 1.00 25.00 H new ATOM 206 N VAL A 12 -9.926 3.705 5.613 1.00 25.00 N ATOM 207 CA VAL A 12 -9.564 4.656 6.659 1.00 25.00 C ATOM 208 C VAL A 12 -10.662 4.741 7.726 1.00 25.00 C ATOM 209 O VAL A 12 -10.341 4.857 8.892 1.00 25.00 O ATOM 210 CB VAL A 12 -9.250 6.064 6.055 1.00 25.00 C ATOM 211 CG1 VAL A 12 -9.050 7.127 7.144 1.00 25.00 C ATOM 212 CG2 VAL A 12 -7.980 5.995 5.207 1.00 25.00 C ATOM 0 H VAL A 12 -9.944 4.102 4.674 1.00 25.00 H new ATOM 0 HA VAL A 12 -8.657 4.295 7.143 1.00 25.00 H new ATOM 0 HB VAL A 12 -10.107 6.349 5.445 1.00 25.00 H new ATOM 0 HG11 VAL A 12 -8.834 8.089 6.678 1.00 25.00 H new ATOM 0 HG12 VAL A 12 -9.957 7.209 7.743 1.00 25.00 H new ATOM 0 HG13 VAL A 12 -8.217 6.839 7.785 1.00 25.00 H new ATOM 0 HG21 VAL A 12 -7.767 6.979 4.789 1.00 25.00 H new ATOM 0 HG22 VAL A 12 -7.144 5.676 5.829 1.00 25.00 H new ATOM 0 HG23 VAL A 12 -8.122 5.280 4.397 1.00 25.00 H new ATOM 222 N GLU A 13 -11.936 4.624 7.371 1.00 25.00 N ATOM 223 CA GLU A 13 -13.015 4.666 8.373 1.00 25.00 C ATOM 224 C GLU A 13 -12.824 3.642 9.486 1.00 25.00 C ATOM 225 O GLU A 13 -12.856 3.994 10.669 1.00 25.00 O ATOM 226 CB GLU A 13 -14.383 4.451 7.728 1.00 25.00 C ATOM 227 CG GLU A 13 -14.932 5.696 7.068 1.00 25.00 C ATOM 228 CD GLU A 13 -16.283 5.468 6.417 1.00 25.00 C ATOM 229 OE1 GLU A 13 -16.579 4.330 5.992 1.00 25.00 O ATOM 230 OE2 GLU A 13 -17.055 6.444 6.347 1.00 25.00 O ATOM 0 H GLU A 13 -12.254 4.500 6.410 1.00 25.00 H new ATOM 0 HA GLU A 13 -12.970 5.662 8.814 1.00 25.00 H new ATOM 0 HB2 GLU A 13 -14.307 3.657 6.985 1.00 25.00 H new ATOM 0 HB3 GLU A 13 -15.086 4.110 8.488 1.00 25.00 H new ATOM 0 HG2 GLU A 13 -15.021 6.487 7.812 1.00 25.00 H new ATOM 0 HG3 GLU A 13 -14.225 6.045 6.315 1.00 25.00 H new ATOM 237 N GLN A 14 -12.573 2.394 9.127 1.00 25.00 N ATOM 238 CA GLN A 14 -12.332 1.369 10.139 1.00 25.00 C ATOM 239 C GLN A 14 -10.981 1.596 10.793 1.00 25.00 C ATOM 240 O GLN A 14 -10.826 1.414 12.001 1.00 25.00 O ATOM 241 CB GLN A 14 -12.388 -0.032 9.522 1.00 25.00 C ATOM 242 CG GLN A 14 -13.800 -0.477 9.139 1.00 25.00 C ATOM 243 CD GLN A 14 -14.711 -0.646 10.350 1.00 25.00 C ATOM 244 OE1 GLN A 14 -14.857 -1.860 10.801 1.00 25.00 O flip ATOM 245 NE2 GLN A 14 -15.262 0.307 10.873 1.00 25.00 N flip ATOM 0 H GLN A 14 -12.530 2.066 8.162 1.00 25.00 H new ATOM 0 HA GLN A 14 -13.114 1.441 10.895 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -11.756 -0.054 8.634 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -11.970 -0.748 10.229 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -14.236 0.256 8.460 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -13.745 -1.421 8.596 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -15.127 1.245 10.495 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -15.858 0.167 11.689 1.00 25.00 H new ATOM 254 N LEU A 15 -10.004 2.027 10.010 1.00 25.00 N ATOM 255 CA LEU A 15 -8.658 2.255 10.524 1.00 25.00 C ATOM 256 C LEU A 15 -8.598 3.384 11.568 1.00 25.00 C ATOM 257 O LEU A 15 -7.780 3.328 12.494 1.00 25.00 O ATOM 258 CB LEU A 15 -7.706 2.545 9.362 1.00 25.00 C ATOM 259 CG LEU A 15 -6.210 2.386 9.668 1.00 25.00 C ATOM 260 CD1 LEU A 15 -5.852 0.938 10.055 1.00 25.00 C ATOM 261 CD2 LEU A 15 -5.399 2.799 8.461 1.00 25.00 C ATOM 0 H LEU A 15 -10.116 2.227 9.016 1.00 25.00 H new ATOM 0 HA LEU A 15 -8.348 1.345 11.038 1.00 25.00 H new ATOM 0 HB2 LEU A 15 -7.961 1.883 8.535 1.00 25.00 H new ATOM 0 HB3 LEU A 15 -7.881 3.565 9.020 1.00 25.00 H new ATOM 0 HG LEU A 15 -5.976 3.027 10.518 1.00 25.00 H new ATOM 0 HD11 LEU A 15 -4.784 0.870 10.263 1.00 25.00 H new ATOM 0 HD12 LEU A 15 -6.414 0.649 10.943 1.00 25.00 H new ATOM 0 HD13 LEU A 15 -6.104 0.269 9.233 1.00 25.00 H new ATOM 0 HD21 LEU A 15 -4.337 2.686 8.680 1.00 25.00 H new ATOM 0 HD22 LEU A 15 -5.664 2.169 7.612 1.00 25.00 H new ATOM 0 HD23 LEU A 15 -5.610 3.841 8.220 1.00 25.00 H new ATOM 273 N LYS A 16 -9.504 4.359 11.470 1.00 25.00 N ATOM 274 CA LYS A 16 -9.601 5.457 12.453 1.00 25.00 C ATOM 275 C LYS A 16 -9.749 4.851 13.828 1.00 25.00 C ATOM 276 O LYS A 16 -9.115 5.286 14.785 1.00 25.00 O ATOM 277 CB LYS A 16 -10.842 6.343 12.206 1.00 25.00 C ATOM 278 CG LYS A 16 -10.786 7.288 10.997 1.00 25.00 C ATOM 279 CD LYS A 16 -12.217 7.711 10.582 1.00 25.00 C ATOM 280 CE LYS A 16 -12.254 8.335 9.174 1.00 25.00 C ATOM 281 NZ LYS A 16 -13.664 8.621 8.687 1.00 25.00 N ATOM 0 H LYS A 16 -10.189 4.416 10.716 1.00 25.00 H new ATOM 0 HA LYS A 16 -8.704 6.070 12.362 1.00 25.00 H new ATOM 0 HB2 LYS A 16 -11.707 5.691 12.088 1.00 25.00 H new ATOM 0 HB3 LYS A 16 -11.015 6.943 13.099 1.00 25.00 H new ATOM 0 HG2 LYS A 16 -10.195 8.170 11.243 1.00 25.00 H new ATOM 0 HG3 LYS A 16 -10.289 6.794 10.163 1.00 25.00 H new ATOM 0 HD2 LYS A 16 -12.873 6.841 10.609 1.00 25.00 H new ATOM 0 HD3 LYS A 16 -12.606 8.427 11.305 1.00 25.00 H new ATOM 0 HE2 LYS A 16 -11.682 9.263 9.179 1.00 25.00 H new ATOM 0 HE3 LYS A 16 -11.763 7.662 8.471 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 -13.720 8.445 7.663 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 -14.335 8.000 9.182 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 -13.904 9.614 8.881 1.00 25.00 H new ATOM 295 N GLN A 17 -10.617 3.859 13.922 1.00 25.00 N ATOM 296 CA GLN A 17 -10.892 3.210 15.189 1.00 25.00 C ATOM 297 C GLN A 17 -9.872 2.124 15.499 1.00 25.00 C ATOM 298 O GLN A 17 -9.460 1.980 16.638 1.00 25.00 O ATOM 299 CB GLN A 17 -12.299 2.617 15.169 1.00 25.00 C ATOM 300 CG GLN A 17 -13.409 3.651 14.959 1.00 25.00 C ATOM 301 CD GLN A 17 -13.496 4.657 16.094 1.00 25.00 C ATOM 302 OE1 GLN A 17 -12.794 5.668 16.112 1.00 25.00 O ATOM 303 NE2 GLN A 17 -14.346 4.385 17.048 1.00 25.00 N ATOM 0 H GLN A 17 -11.144 3.485 13.133 1.00 25.00 H new ATOM 0 HA GLN A 17 -10.821 3.962 15.975 1.00 25.00 H new ATOM 0 HB2 GLN A 17 -12.357 1.872 14.376 1.00 25.00 H new ATOM 0 HB3 GLN A 17 -12.476 2.096 16.110 1.00 25.00 H new ATOM 0 HG2 GLN A 17 -13.234 4.180 14.022 1.00 25.00 H new ATOM 0 HG3 GLN A 17 -14.365 3.137 14.861 1.00 25.00 H new ATOM 0 HE21 GLN A 17 -14.912 3.538 17.001 1.00 25.00 H new ATOM 0 HE22 GLN A 17 -14.444 5.020 17.840 1.00 25.00 H new ATOM 312 N ALA A 18 -9.452 1.370 14.493 1.00 25.00 N ATOM 313 CA ALA A 18 -8.521 0.263 14.704 1.00 25.00 C ATOM 314 C ALA A 18 -7.185 0.716 15.317 1.00 25.00 C ATOM 315 O ALA A 18 -6.666 0.044 16.204 1.00 25.00 O ATOM 316 CB ALA A 18 -8.300 -0.493 13.400 1.00 25.00 C ATOM 0 H ALA A 18 -9.739 1.502 13.523 1.00 25.00 H new ATOM 0 HA ALA A 18 -8.977 -0.409 15.432 1.00 25.00 H new ATOM 0 HB1 ALA A 18 -7.605 -1.315 13.569 1.00 25.00 H new ATOM 0 HB2 ALA A 18 -9.251 -0.889 13.044 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -7.886 0.184 12.653 1.00 25.00 H new ATOM 322 N LEU A 19 -6.667 1.873 14.915 1.00 25.00 N ATOM 323 CA LEU A 19 -5.435 2.397 15.532 1.00 25.00 C ATOM 324 C LEU A 19 -5.657 2.612 17.037 1.00 25.00 C ATOM 325 O LEU A 19 -4.780 2.347 17.857 1.00 25.00 O ATOM 326 CB LEU A 19 -5.007 3.733 14.886 1.00 25.00 C ATOM 327 CG LEU A 19 -3.743 3.672 13.999 1.00 25.00 C ATOM 328 CD1 LEU A 19 -4.063 3.204 12.587 1.00 25.00 C ATOM 329 CD2 LEU A 19 -3.044 5.033 13.910 1.00 25.00 C ATOM 0 H LEU A 19 -7.064 2.460 14.182 1.00 25.00 H new ATOM 0 HA LEU A 19 -4.643 1.665 15.371 1.00 25.00 H new ATOM 0 HB2 LEU A 19 -5.835 4.106 14.282 1.00 25.00 H new ATOM 0 HB3 LEU A 19 -4.838 4.461 15.679 1.00 25.00 H new ATOM 0 HG LEU A 19 -3.079 2.952 14.477 1.00 25.00 H new ATOM 0 HD11 LEU A 19 -3.147 3.175 11.997 1.00 25.00 H new ATOM 0 HD12 LEU A 19 -4.502 2.207 12.625 1.00 25.00 H new ATOM 0 HD13 LEU A 19 -4.770 3.894 12.126 1.00 25.00 H new ATOM 0 HD21 LEU A 19 -2.160 4.948 13.278 1.00 25.00 H new ATOM 0 HD22 LEU A 19 -3.728 5.766 13.481 1.00 25.00 H new ATOM 0 HD23 LEU A 19 -2.746 5.355 14.908 1.00 25.00 H new ATOM 341 N LYS A 20 -6.848 3.078 17.396 1.00 25.00 N ATOM 342 CA LYS A 20 -7.181 3.368 18.795 1.00 25.00 C ATOM 343 C LYS A 20 -7.403 2.117 19.633 1.00 25.00 C ATOM 344 O LYS A 20 -7.172 2.151 20.831 1.00 25.00 O ATOM 345 CB LYS A 20 -8.458 4.212 18.876 1.00 25.00 C ATOM 346 CG LYS A 20 -8.406 5.536 18.130 1.00 25.00 C ATOM 347 CD LYS A 20 -9.798 6.155 18.089 1.00 25.00 C ATOM 348 CE LYS A 20 -9.829 7.411 17.230 1.00 25.00 C ATOM 349 NZ LYS A 20 -11.241 7.894 17.061 1.00 25.00 N ATOM 0 H LYS A 20 -7.605 3.265 16.738 1.00 25.00 H new ATOM 0 HA LYS A 20 -6.321 3.904 19.196 1.00 25.00 H new ATOM 0 HB2 LYS A 20 -9.288 3.625 18.484 1.00 25.00 H new ATOM 0 HB3 LYS A 20 -8.676 4.412 19.925 1.00 25.00 H new ATOM 0 HG2 LYS A 20 -7.709 6.215 18.622 1.00 25.00 H new ATOM 0 HG3 LYS A 20 -8.037 5.380 17.117 1.00 25.00 H new ATOM 0 HD2 LYS A 20 -10.509 5.428 17.696 1.00 25.00 H new ATOM 0 HD3 LYS A 20 -10.118 6.399 19.102 1.00 25.00 H new ATOM 0 HE2 LYS A 20 -9.224 8.191 17.693 1.00 25.00 H new ATOM 0 HE3 LYS A 20 -9.390 7.203 16.254 1.00 25.00 H new ATOM 0 HZ1 LYS A 20 -11.263 8.667 16.366 1.00 25.00 H new ATOM 0 HZ2 LYS A 20 -11.838 7.111 16.726 1.00 25.00 H new ATOM 0 HZ3 LYS A 20 -11.602 8.239 17.974 1.00 25.00 H new ATOM 363 N THR A 21 -7.857 1.023 19.027 1.00 25.00 N ATOM 364 CA THR A 21 -8.157 -0.200 19.796 1.00 25.00 C ATOM 365 C THR A 21 -6.917 -0.778 20.461 1.00 25.00 C ATOM 366 O THR A 21 -7.012 -1.505 21.444 1.00 25.00 O ATOM 367 CB THR A 21 -8.770 -1.341 18.933 1.00 25.00 C ATOM 368 OG1 THR A 21 -7.849 -1.735 17.910 1.00 25.00 O ATOM 369 CG2 THR A 21 -10.076 -0.922 18.286 1.00 25.00 C ATOM 0 H THR A 21 -8.026 0.949 18.024 1.00 25.00 H new ATOM 0 HA THR A 21 -8.883 0.130 20.538 1.00 25.00 H new ATOM 0 HB THR A 21 -8.971 -2.178 19.602 1.00 25.00 H new ATOM 0 HG1 THR A 21 -7.525 -0.940 17.438 1.00 25.00 H new ATOM 0 HG21 THR A 21 -10.470 -1.748 17.693 1.00 25.00 H new ATOM 0 HG22 THR A 21 -10.796 -0.655 19.060 1.00 25.00 H new ATOM 0 HG23 THR A 21 -9.902 -0.062 17.640 1.00 25.00 H new ATOM 377 N ARG A 22 -5.745 -0.451 19.935 1.00 25.00 N ATOM 378 CA ARG A 22 -4.499 -0.938 20.518 1.00 25.00 C ATOM 379 C ARG A 22 -3.989 -0.025 21.625 1.00 25.00 C ATOM 380 O ARG A 22 -3.128 -0.407 22.400 1.00 25.00 O ATOM 381 CB ARG A 22 -3.443 -1.100 19.418 1.00 25.00 C ATOM 382 CG ARG A 22 -2.451 -2.241 19.668 1.00 25.00 C ATOM 383 CD ARG A 22 -2.985 -3.598 19.184 1.00 25.00 C ATOM 384 NE ARG A 22 -4.132 -4.077 19.980 1.00 25.00 N ATOM 385 CZ ARG A 22 -4.054 -4.690 21.158 1.00 25.00 C ATOM 386 NH1 ARG A 22 -2.918 -4.972 21.739 1.00 25.00 N ATOM 387 NH2 ARG A 22 -5.158 -5.020 21.769 1.00 25.00 N ATOM 0 H ARG A 22 -5.629 0.143 19.114 1.00 25.00 H new ATOM 0 HA ARG A 22 -4.698 -1.907 20.975 1.00 25.00 H new ATOM 0 HB2 ARG A 22 -3.947 -1.273 18.467 1.00 25.00 H new ATOM 0 HB3 ARG A 22 -2.889 -0.166 19.320 1.00 25.00 H new ATOM 0 HG2 ARG A 22 -1.512 -2.021 19.160 1.00 25.00 H new ATOM 0 HG3 ARG A 22 -2.230 -2.300 20.734 1.00 25.00 H new ATOM 0 HD2 ARG A 22 -3.283 -3.514 18.139 1.00 25.00 H new ATOM 0 HD3 ARG A 22 -2.184 -4.336 19.229 1.00 25.00 H new ATOM 0 HE ARG A 22 -5.064 -3.925 19.594 1.00 25.00 H new ATOM 0 HH11 ARG A 22 -2.038 -4.720 21.288 1.00 25.00 H new ATOM 0 HH12 ARG A 22 -2.911 -5.444 22.643 1.00 25.00 H new ATOM 0 HH21 ARG A 22 -6.060 -4.807 21.343 1.00 25.00 H new ATOM 0 HH22 ARG A 22 -5.119 -5.491 22.673 1.00 25.00 H new ATOM 401 N GLY A 23 -4.504 1.195 21.672 1.00 25.00 N ATOM 402 CA GLY A 23 -4.078 2.166 22.672 1.00 25.00 C ATOM 403 C GLY A 23 -2.702 2.750 22.397 1.00 25.00 C ATOM 404 O GLY A 23 -2.208 3.595 23.146 1.00 25.00 O ATOM 0 H GLY A 23 -5.218 1.537 21.029 1.00 25.00 H new ATOM 0 HA2 GLY A 23 -4.806 2.976 22.715 1.00 25.00 H new ATOM 0 HA3 GLY A 23 -4.073 1.689 23.652 1.00 25.00 H new ATOM 408 N VAL A 24 -2.071 2.293 21.326 1.00 25.00 N ATOM 409 CA VAL A 24 -0.722 2.726 20.982 1.00 25.00 C ATOM 410 C VAL A 24 -0.825 4.077 20.295 1.00 25.00 C ATOM 411 O VAL A 24 -1.483 4.224 19.267 1.00 25.00 O ATOM 412 CB VAL A 24 -0.008 1.694 20.061 1.00 25.00 C ATOM 413 CG1 VAL A 24 1.399 2.178 19.689 1.00 25.00 C ATOM 414 CG2 VAL A 24 0.095 0.331 20.768 1.00 25.00 C ATOM 0 H VAL A 24 -2.473 1.618 20.676 1.00 25.00 H new ATOM 0 HA VAL A 24 -0.122 2.805 21.889 1.00 25.00 H new ATOM 0 HB VAL A 24 -0.599 1.590 19.151 1.00 25.00 H new ATOM 0 HG11 VAL A 24 1.879 1.441 19.045 1.00 25.00 H new ATOM 0 HG12 VAL A 24 1.329 3.130 19.162 1.00 25.00 H new ATOM 0 HG13 VAL A 24 1.991 2.308 20.595 1.00 25.00 H new ATOM 0 HG21 VAL A 24 0.596 -0.382 20.113 1.00 25.00 H new ATOM 0 HG22 VAL A 24 0.667 0.441 21.689 1.00 25.00 H new ATOM 0 HG23 VAL A 24 -0.905 -0.033 21.003 1.00 25.00 H new ATOM 424 N LYS A 25 -0.215 5.084 20.901 1.00 25.00 N ATOM 425 CA LYS A 25 -0.311 6.448 20.393 1.00 25.00 C ATOM 426 C LYS A 25 0.703 6.706 19.285 1.00 25.00 C ATOM 427 O LYS A 25 1.761 7.275 19.518 1.00 25.00 O ATOM 428 CB LYS A 25 -0.114 7.445 21.539 1.00 25.00 C ATOM 429 CG LYS A 25 -1.172 7.311 22.632 1.00 25.00 C ATOM 430 CD LYS A 25 -0.983 8.350 23.724 1.00 25.00 C ATOM 431 CE LYS A 25 -2.020 8.154 24.829 1.00 25.00 C ATOM 432 NZ LYS A 25 -1.865 9.171 25.927 1.00 25.00 N ATOM 0 H LYS A 25 0.351 4.985 21.744 1.00 25.00 H new ATOM 0 HA LYS A 25 -1.305 6.581 19.966 1.00 25.00 H new ATOM 0 HB2 LYS A 25 0.874 7.298 21.976 1.00 25.00 H new ATOM 0 HB3 LYS A 25 -0.138 8.459 21.140 1.00 25.00 H new ATOM 0 HG2 LYS A 25 -2.164 7.419 22.194 1.00 25.00 H new ATOM 0 HG3 LYS A 25 -1.123 6.313 23.067 1.00 25.00 H new ATOM 0 HD2 LYS A 25 0.021 8.271 24.140 1.00 25.00 H new ATOM 0 HD3 LYS A 25 -1.076 9.351 23.303 1.00 25.00 H new ATOM 0 HE2 LYS A 25 -3.021 8.227 24.405 1.00 25.00 H new ATOM 0 HE3 LYS A 25 -1.922 7.151 25.246 1.00 25.00 H new ATOM 0 HZ1 LYS A 25 -2.586 9.005 26.658 1.00 25.00 H new ATOM 0 HZ2 LYS A 25 -0.918 9.085 26.349 1.00 25.00 H new ATOM 0 HZ3 LYS A 25 -1.983 10.127 25.534 1.00 25.00 H new ATOM 446 N VAL A 26 0.328 6.334 18.073 1.00 25.00 N ATOM 447 CA VAL A 26 1.109 6.633 16.872 1.00 25.00 C ATOM 448 C VAL A 26 0.148 7.308 15.908 1.00 25.00 C ATOM 449 O VAL A 26 -1.068 7.131 16.010 1.00 25.00 O ATOM 450 CB VAL A 26 1.728 5.353 16.217 1.00 25.00 C ATOM 451 CG1 VAL A 26 2.874 4.816 17.080 1.00 25.00 C ATOM 452 CG2 VAL A 26 0.664 4.256 16.007 1.00 25.00 C ATOM 0 H VAL A 26 -0.529 5.814 17.887 1.00 25.00 H new ATOM 0 HA VAL A 26 1.957 7.269 17.127 1.00 25.00 H new ATOM 0 HB VAL A 26 2.118 5.635 15.239 1.00 25.00 H new ATOM 0 HG11 VAL A 26 3.295 3.926 16.613 1.00 25.00 H new ATOM 0 HG12 VAL A 26 3.648 5.578 17.172 1.00 25.00 H new ATOM 0 HG13 VAL A 26 2.496 4.561 18.070 1.00 25.00 H new ATOM 0 HG21 VAL A 26 1.128 3.382 15.550 1.00 25.00 H new ATOM 0 HG22 VAL A 26 0.234 3.978 16.969 1.00 25.00 H new ATOM 0 HG23 VAL A 26 -0.122 4.632 15.353 1.00 25.00 H new ATOM 462 N LYS A 27 0.671 8.117 15.004 1.00 25.00 N ATOM 463 CA LYS A 27 -0.167 8.829 14.046 1.00 25.00 C ATOM 464 C LYS A 27 -0.374 7.925 12.840 1.00 25.00 C ATOM 465 O LYS A 27 0.395 6.999 12.622 1.00 25.00 O ATOM 466 CB LYS A 27 0.546 10.125 13.646 1.00 25.00 C ATOM 467 CG LYS A 27 -0.362 11.284 13.278 1.00 25.00 C ATOM 468 CD LYS A 27 0.479 12.544 13.088 1.00 25.00 C ATOM 469 CE LYS A 27 -0.389 13.776 12.858 1.00 25.00 C ATOM 470 NZ LYS A 27 0.464 15.011 12.728 1.00 25.00 N ATOM 0 H LYS A 27 1.670 8.300 14.910 1.00 25.00 H new ATOM 0 HA LYS A 27 -1.138 9.083 14.472 1.00 25.00 H new ATOM 0 HB2 LYS A 27 1.187 10.436 14.471 1.00 25.00 H new ATOM 0 HB3 LYS A 27 1.198 9.914 12.798 1.00 25.00 H new ATOM 0 HG2 LYS A 27 -0.908 11.056 12.363 1.00 25.00 H new ATOM 0 HG3 LYS A 27 -1.104 11.443 14.061 1.00 25.00 H new ATOM 0 HD2 LYS A 27 1.104 12.699 13.967 1.00 25.00 H new ATOM 0 HD3 LYS A 27 1.150 12.409 12.240 1.00 25.00 H new ATOM 0 HE2 LYS A 27 -0.986 13.643 11.956 1.00 25.00 H new ATOM 0 HE3 LYS A 27 -1.087 13.895 13.687 1.00 25.00 H new ATOM 0 HZ1 LYS A 27 -0.146 15.839 12.572 1.00 25.00 H new ATOM 0 HZ2 LYS A 27 1.015 15.146 13.600 1.00 25.00 H new ATOM 0 HZ3 LYS A 27 1.113 14.902 11.922 1.00 25.00 H new ATOM 484 N PHE A 28 -1.354 8.243 12.007 1.00 25.00 N ATOM 485 CA PHE A 28 -1.541 7.525 10.742 1.00 25.00 C ATOM 486 C PHE A 28 -0.282 7.665 9.901 1.00 25.00 C ATOM 487 O PHE A 28 0.168 6.716 9.280 1.00 25.00 O ATOM 488 CB PHE A 28 -2.704 8.146 9.960 1.00 25.00 C ATOM 489 CG PHE A 28 -4.017 7.440 10.143 1.00 25.00 C ATOM 490 CD1 PHE A 28 -4.598 7.292 11.417 1.00 25.00 C ATOM 491 CD2 PHE A 28 -4.698 6.935 9.021 1.00 25.00 C ATOM 492 CE1 PHE A 28 -5.844 6.633 11.569 1.00 25.00 C ATOM 493 CE2 PHE A 28 -5.936 6.286 9.162 1.00 25.00 C ATOM 494 CZ PHE A 28 -6.510 6.132 10.432 1.00 25.00 C ATOM 0 H PHE A 28 -2.031 8.987 12.177 1.00 25.00 H new ATOM 0 HA PHE A 28 -1.750 6.477 10.955 1.00 25.00 H new ATOM 0 HB2 PHE A 28 -2.818 9.186 10.266 1.00 25.00 H new ATOM 0 HB3 PHE A 28 -2.452 8.151 8.900 1.00 25.00 H new ATOM 0 HD1 PHE A 28 -4.090 7.684 12.286 1.00 25.00 H new ATOM 0 HD2 PHE A 28 -4.264 7.048 8.039 1.00 25.00 H new ATOM 0 HE1 PHE A 28 -6.280 6.516 12.550 1.00 25.00 H new ATOM 0 HE2 PHE A 28 -6.447 5.905 8.290 1.00 25.00 H new ATOM 0 HZ PHE A 28 -7.461 5.631 10.539 1.00 25.00 H new ATOM 504 N ALA A 29 0.298 8.858 9.934 1.00 25.00 N ATOM 505 CA ALA A 29 1.518 9.158 9.192 1.00 25.00 C ATOM 506 C ALA A 29 2.670 8.250 9.617 1.00 25.00 C ATOM 507 O ALA A 29 3.575 7.986 8.844 1.00 25.00 O ATOM 508 CB ALA A 29 1.904 10.620 9.423 1.00 25.00 C ATOM 0 H ALA A 29 -0.062 9.644 10.475 1.00 25.00 H new ATOM 0 HA ALA A 29 1.326 8.982 8.134 1.00 25.00 H new ATOM 0 HB1 ALA A 29 2.815 10.847 8.870 1.00 25.00 H new ATOM 0 HB2 ALA A 29 1.098 11.268 9.077 1.00 25.00 H new ATOM 0 HB3 ALA A 29 2.074 10.788 10.487 1.00 25.00 H new ATOM 514 N ASP A 30 2.642 7.803 10.861 1.00 25.00 N ATOM 515 CA ASP A 30 3.694 6.945 11.368 1.00 25.00 C ATOM 516 C ASP A 30 3.394 5.494 11.037 1.00 25.00 C ATOM 517 O ASP A 30 4.271 4.762 10.614 1.00 25.00 O ATOM 518 CB ASP A 30 3.817 7.086 12.882 1.00 25.00 C ATOM 519 CG ASP A 30 4.083 8.504 13.311 1.00 25.00 C ATOM 520 OD1 ASP A 30 4.914 9.191 12.678 1.00 25.00 O ATOM 521 OD2 ASP A 30 3.407 8.953 14.263 1.00 25.00 O ATOM 0 H ASP A 30 1.906 8.019 11.533 1.00 25.00 H new ATOM 0 HA ASP A 30 4.630 7.246 10.897 1.00 25.00 H new ATOM 0 HB2 ASP A 30 2.898 6.734 13.352 1.00 25.00 H new ATOM 0 HB3 ASP A 30 4.623 6.445 13.239 1.00 25.00 H new ATOM 526 N LEU A 31 2.160 5.062 11.264 1.00 25.00 N ATOM 527 CA LEU A 31 1.829 3.650 11.086 1.00 25.00 C ATOM 528 C LEU A 31 1.802 3.227 9.626 1.00 25.00 C ATOM 529 O LEU A 31 2.439 2.248 9.246 1.00 25.00 O ATOM 530 CB LEU A 31 0.497 3.298 11.749 1.00 25.00 C ATOM 531 CG LEU A 31 0.590 1.997 12.580 1.00 25.00 C ATOM 532 CD1 LEU A 31 -0.727 1.712 13.252 1.00 25.00 C ATOM 533 CD2 LEU A 31 0.985 0.793 11.736 1.00 25.00 C ATOM 0 H LEU A 31 1.385 5.653 11.565 1.00 25.00 H new ATOM 0 HA LEU A 31 2.630 3.096 11.576 1.00 25.00 H new ATOM 0 HB2 LEU A 31 0.185 4.119 12.394 1.00 25.00 H new ATOM 0 HB3 LEU A 31 -0.271 3.185 10.983 1.00 25.00 H new ATOM 0 HG LEU A 31 1.369 2.157 13.325 1.00 25.00 H new ATOM 0 HD11 LEU A 31 -0.647 0.794 13.834 1.00 25.00 H new ATOM 0 HD12 LEU A 31 -0.984 2.539 13.913 1.00 25.00 H new ATOM 0 HD13 LEU A 31 -1.504 1.597 12.496 1.00 25.00 H new ATOM 0 HD21 LEU A 31 1.036 -0.094 12.368 1.00 25.00 H new ATOM 0 HD22 LEU A 31 0.243 0.638 10.953 1.00 25.00 H new ATOM 0 HD23 LEU A 31 1.960 0.971 11.282 1.00 25.00 H new ATOM 545 N LEU A 32 1.084 3.963 8.797 1.00 25.00 N ATOM 546 CA LEU A 32 1.012 3.615 7.376 1.00 25.00 C ATOM 547 C LEU A 32 2.374 3.723 6.688 1.00 25.00 C ATOM 548 O LEU A 32 2.652 2.995 5.747 1.00 25.00 O ATOM 549 CB LEU A 32 -0.018 4.471 6.642 1.00 25.00 C ATOM 550 CG LEU A 32 -1.517 4.108 6.767 1.00 25.00 C ATOM 551 CD1 LEU A 32 -1.848 2.621 6.800 1.00 25.00 C ATOM 552 CD2 LEU A 32 -2.131 4.775 7.951 1.00 25.00 C ATOM 0 H LEU A 32 0.551 4.789 9.068 1.00 25.00 H new ATOM 0 HA LEU A 32 0.694 2.573 7.328 1.00 25.00 H new ATOM 0 HB2 LEU A 32 0.102 5.498 6.986 1.00 25.00 H new ATOM 0 HB3 LEU A 32 0.237 4.458 5.582 1.00 25.00 H new ATOM 0 HG LEU A 32 -1.947 4.480 5.837 1.00 25.00 H new ATOM 0 HD11 LEU A 32 -2.926 2.490 6.889 1.00 25.00 H new ATOM 0 HD12 LEU A 32 -1.500 2.150 5.880 1.00 25.00 H new ATOM 0 HD13 LEU A 32 -1.354 2.157 7.654 1.00 25.00 H new ATOM 0 HD21 LEU A 32 -3.185 4.503 8.016 1.00 25.00 H new ATOM 0 HD22 LEU A 32 -1.617 4.454 8.857 1.00 25.00 H new ATOM 0 HD23 LEU A 32 -2.041 5.856 7.847 1.00 25.00 H new ATOM 564 N LYS A 33 3.262 4.540 7.225 1.00 25.00 N ATOM 565 CA LYS A 33 4.638 4.599 6.718 1.00 25.00 C ATOM 566 C LYS A 33 5.333 3.242 6.873 1.00 25.00 C ATOM 567 O LYS A 33 6.053 2.804 5.985 1.00 25.00 O ATOM 568 CB LYS A 33 5.399 5.683 7.472 1.00 25.00 C ATOM 569 CG LYS A 33 6.879 5.804 7.135 1.00 25.00 C ATOM 570 CD LYS A 33 7.507 6.974 7.900 1.00 25.00 C ATOM 571 CE LYS A 33 7.607 6.688 9.408 1.00 25.00 C ATOM 572 NZ LYS A 33 8.093 7.891 10.165 1.00 25.00 N ATOM 0 H LYS A 33 3.067 5.169 8.004 1.00 25.00 H new ATOM 0 HA LYS A 33 4.621 4.841 5.655 1.00 25.00 H new ATOM 0 HB2 LYS A 33 4.920 6.642 7.274 1.00 25.00 H new ATOM 0 HB3 LYS A 33 5.303 5.493 8.541 1.00 25.00 H new ATOM 0 HG2 LYS A 33 7.393 4.877 7.389 1.00 25.00 H new ATOM 0 HG3 LYS A 33 7.003 5.954 6.063 1.00 25.00 H new ATOM 0 HD2 LYS A 33 8.502 7.175 7.502 1.00 25.00 H new ATOM 0 HD3 LYS A 33 6.912 7.873 7.740 1.00 25.00 H new ATOM 0 HE2 LYS A 33 6.631 6.388 9.788 1.00 25.00 H new ATOM 0 HE3 LYS A 33 8.286 5.852 9.577 1.00 25.00 H new ATOM 0 HZ1 LYS A 33 8.149 7.664 11.178 1.00 25.00 H new ATOM 0 HZ2 LYS A 33 9.035 8.162 9.818 1.00 25.00 H new ATOM 0 HZ3 LYS A 33 7.432 8.681 10.023 1.00 25.00 H new ATOM 586 N PHE A 34 5.096 2.555 7.979 1.00 25.00 N ATOM 587 CA PHE A 34 5.686 1.229 8.173 1.00 25.00 C ATOM 588 C PHE A 34 4.927 0.152 7.411 1.00 25.00 C ATOM 589 O PHE A 34 5.515 -0.847 7.029 1.00 25.00 O ATOM 590 CB PHE A 34 5.797 0.882 9.654 1.00 25.00 C ATOM 591 CG PHE A 34 6.995 1.506 10.304 1.00 25.00 C ATOM 592 CD1 PHE A 34 8.232 0.836 10.307 1.00 25.00 C ATOM 593 CD2 PHE A 34 6.910 2.780 10.880 1.00 25.00 C ATOM 594 CE1 PHE A 34 9.380 1.442 10.872 1.00 25.00 C ATOM 595 CE2 PHE A 34 8.046 3.400 11.448 1.00 25.00 C ATOM 596 CZ PHE A 34 9.284 2.732 11.436 1.00 25.00 C ATOM 0 H PHE A 34 4.510 2.881 8.748 1.00 25.00 H new ATOM 0 HA PHE A 34 6.695 1.265 7.762 1.00 25.00 H new ATOM 0 HB2 PHE A 34 4.895 1.213 10.169 1.00 25.00 H new ATOM 0 HB3 PHE A 34 5.850 -0.201 9.767 1.00 25.00 H new ATOM 0 HD1 PHE A 34 8.307 -0.151 9.874 1.00 25.00 H new ATOM 0 HD2 PHE A 34 5.962 3.297 10.890 1.00 25.00 H new ATOM 0 HE1 PHE A 34 10.325 0.919 10.871 1.00 25.00 H new ATOM 0 HE2 PHE A 34 7.964 4.382 11.889 1.00 25.00 H new ATOM 0 HZ PHE A 34 10.159 3.205 11.857 1.00 25.00 H new ATOM 606 N PHE A 35 3.658 0.379 7.105 1.00 25.00 N ATOM 607 CA PHE A 35 2.940 -0.540 6.214 1.00 25.00 C ATOM 608 C PHE A 35 3.556 -0.463 4.808 1.00 25.00 C ATOM 609 O PHE A 35 3.645 -1.465 4.113 1.00 25.00 O ATOM 610 CB PHE A 35 1.451 -0.212 6.126 1.00 25.00 C ATOM 611 CG PHE A 35 0.611 -0.846 7.205 1.00 25.00 C ATOM 612 CD1 PHE A 35 0.478 -2.242 7.276 1.00 25.00 C ATOM 613 CD2 PHE A 35 -0.090 -0.055 8.129 1.00 25.00 C ATOM 614 CE1 PHE A 35 -0.363 -2.840 8.249 1.00 25.00 C ATOM 615 CE2 PHE A 35 -0.943 -0.642 9.093 1.00 25.00 C ATOM 616 CZ PHE A 35 -1.084 -2.031 9.147 1.00 25.00 C ATOM 0 H PHE A 35 3.110 1.168 7.447 1.00 25.00 H new ATOM 0 HA PHE A 35 3.036 -1.545 6.626 1.00 25.00 H new ATOM 0 HB2 PHE A 35 1.326 0.870 6.173 1.00 25.00 H new ATOM 0 HB3 PHE A 35 1.077 -0.534 5.154 1.00 25.00 H new ATOM 0 HD1 PHE A 35 1.022 -2.867 6.583 1.00 25.00 H new ATOM 0 HD2 PHE A 35 0.024 1.019 8.104 1.00 25.00 H new ATOM 0 HE1 PHE A 35 -0.450 -3.915 8.301 1.00 25.00 H new ATOM 0 HE2 PHE A 35 -1.485 -0.017 9.787 1.00 25.00 H new ATOM 0 HZ PHE A 35 -1.743 -2.482 9.874 1.00 25.00 H new ATOM 626 N ASP A 36 4.019 0.715 4.410 1.00 25.00 N ATOM 627 CA ASP A 36 4.691 0.876 3.112 1.00 25.00 C ATOM 628 C ASP A 36 6.022 0.120 3.117 1.00 25.00 C ATOM 629 O ASP A 36 6.418 -0.474 2.122 1.00 25.00 O ATOM 630 CB ASP A 36 4.961 2.361 2.833 1.00 25.00 C ATOM 631 CG ASP A 36 4.286 2.852 1.563 1.00 25.00 C ATOM 632 OD1 ASP A 36 3.071 2.603 1.404 1.00 25.00 O ATOM 633 OD2 ASP A 36 4.929 3.576 0.778 1.00 25.00 O ATOM 0 H ASP A 36 3.946 1.572 4.958 1.00 25.00 H new ATOM 0 HA ASP A 36 4.041 0.474 2.335 1.00 25.00 H new ATOM 0 HB2 ASP A 36 4.612 2.954 3.678 1.00 25.00 H new ATOM 0 HB3 ASP A 36 6.036 2.522 2.753 1.00 25.00 H new ATOM 638 N PHE A 37 6.689 0.116 4.262 1.00 25.00 N ATOM 639 CA PHE A 37 7.982 -0.557 4.408 1.00 25.00 C ATOM 640 C PHE A 37 7.881 -2.078 4.236 1.00 25.00 C ATOM 641 O PHE A 37 8.816 -2.715 3.750 1.00 25.00 O ATOM 642 CB PHE A 37 8.586 -0.218 5.778 1.00 25.00 C ATOM 643 CG PHE A 37 9.974 -0.763 5.983 1.00 25.00 C ATOM 644 CD1 PHE A 37 11.045 -0.318 5.183 1.00 25.00 C ATOM 645 CD2 PHE A 37 10.222 -1.725 6.981 1.00 25.00 C ATOM 646 CE1 PHE A 37 12.353 -0.829 5.373 1.00 25.00 C ATOM 647 CE2 PHE A 37 11.527 -2.243 7.181 1.00 25.00 C ATOM 648 CZ PHE A 37 12.593 -1.793 6.374 1.00 25.00 C ATOM 0 H PHE A 37 6.358 0.573 5.112 1.00 25.00 H new ATOM 0 HA PHE A 37 8.631 -0.193 3.612 1.00 25.00 H new ATOM 0 HB2 PHE A 37 8.610 0.865 5.896 1.00 25.00 H new ATOM 0 HB3 PHE A 37 7.934 -0.609 6.559 1.00 25.00 H new ATOM 0 HD1 PHE A 37 10.867 0.421 4.416 1.00 25.00 H new ATOM 0 HD2 PHE A 37 9.409 -2.072 7.601 1.00 25.00 H new ATOM 0 HE1 PHE A 37 13.165 -0.481 4.752 1.00 25.00 H new ATOM 0 HE2 PHE A 37 11.704 -2.981 7.950 1.00 25.00 H new ATOM 0 HZ PHE A 37 13.588 -2.185 6.522 1.00 25.00 H new ATOM 658 N VAL A 38 6.745 -2.672 4.583 1.00 25.00 N ATOM 659 CA VAL A 38 6.587 -4.118 4.374 1.00 25.00 C ATOM 660 C VAL A 38 6.487 -4.410 2.894 1.00 25.00 C ATOM 661 O VAL A 38 6.862 -5.483 2.454 1.00 25.00 O ATOM 662 CB VAL A 38 5.349 -4.749 5.117 1.00 25.00 C ATOM 663 CG1 VAL A 38 4.918 -3.887 6.255 1.00 25.00 C ATOM 664 CG2 VAL A 38 4.134 -5.006 4.189 1.00 25.00 C ATOM 0 H VAL A 38 5.941 -2.200 4.997 1.00 25.00 H new ATOM 0 HA VAL A 38 7.472 -4.582 4.808 1.00 25.00 H new ATOM 0 HB VAL A 38 5.691 -5.717 5.483 1.00 25.00 H new ATOM 0 HG11 VAL A 38 4.062 -4.343 6.753 1.00 25.00 H new ATOM 0 HG12 VAL A 38 5.739 -3.785 6.965 1.00 25.00 H new ATOM 0 HG13 VAL A 38 4.638 -2.903 5.880 1.00 25.00 H new ATOM 0 HG21 VAL A 38 3.319 -5.441 4.768 1.00 25.00 H new ATOM 0 HG22 VAL A 38 3.805 -4.064 3.751 1.00 25.00 H new ATOM 0 HG23 VAL A 38 4.422 -5.694 3.395 1.00 25.00 H new ATOM 674 N LYS A 39 5.983 -3.457 2.122 1.00 25.00 N ATOM 675 CA LYS A 39 5.802 -3.687 0.696 1.00 25.00 C ATOM 676 C LYS A 39 7.177 -3.756 0.036 1.00 25.00 C ATOM 677 O LYS A 39 7.416 -4.569 -0.844 1.00 25.00 O ATOM 678 CB LYS A 39 4.948 -2.582 0.054 1.00 25.00 C ATOM 679 CG LYS A 39 4.220 -3.034 -1.218 1.00 25.00 C ATOM 680 CD LYS A 39 3.446 -1.880 -1.877 1.00 25.00 C ATOM 681 CE LYS A 39 2.494 -2.402 -2.972 1.00 25.00 C ATOM 682 NZ LYS A 39 1.674 -1.310 -3.623 1.00 25.00 N ATOM 0 H LYS A 39 5.697 -2.535 2.451 1.00 25.00 H new ATOM 0 HA LYS A 39 5.271 -4.628 0.549 1.00 25.00 H new ATOM 0 HB2 LYS A 39 4.213 -2.234 0.780 1.00 25.00 H new ATOM 0 HB3 LYS A 39 5.587 -1.732 -0.185 1.00 25.00 H new ATOM 0 HG2 LYS A 39 4.944 -3.437 -1.927 1.00 25.00 H new ATOM 0 HG3 LYS A 39 3.530 -3.841 -0.974 1.00 25.00 H new ATOM 0 HD2 LYS A 39 2.874 -1.343 -1.120 1.00 25.00 H new ATOM 0 HD3 LYS A 39 4.148 -1.168 -2.311 1.00 25.00 H new ATOM 0 HE2 LYS A 39 3.078 -2.914 -3.737 1.00 25.00 H new ATOM 0 HE3 LYS A 39 1.821 -3.141 -2.537 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 1.252 -1.670 -4.503 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 0.918 -1.010 -2.974 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 2.287 -0.498 -3.840 1.00 25.00 H new ATOM 696 N ASP A 40 8.074 -2.905 0.517 1.00 25.00 N ATOM 697 CA ASP A 40 9.465 -2.855 0.049 1.00 25.00 C ATOM 698 C ASP A 40 10.225 -4.128 0.434 1.00 25.00 C ATOM 699 O ASP A 40 10.870 -4.761 -0.393 1.00 25.00 O ATOM 700 CB ASP A 40 10.158 -1.640 0.681 1.00 25.00 C ATOM 701 CG ASP A 40 11.573 -1.432 0.165 1.00 25.00 C ATOM 702 OD1 ASP A 40 11.734 -1.148 -1.039 1.00 25.00 O ATOM 703 OD2 ASP A 40 12.517 -1.464 0.988 1.00 25.00 O ATOM 0 H ASP A 40 7.862 -2.224 1.246 1.00 25.00 H new ATOM 0 HA ASP A 40 9.465 -2.774 -1.038 1.00 25.00 H new ATOM 0 HB2 ASP A 40 9.568 -0.746 0.480 1.00 25.00 H new ATOM 0 HB3 ASP A 40 10.186 -1.766 1.763 1.00 25.00 H new ATOM 708 N THR A 41 10.129 -4.507 1.702 1.00 25.00 N ATOM 709 CA THR A 41 10.846 -5.681 2.214 1.00 25.00 C ATOM 710 C THR A 41 10.272 -6.997 1.667 1.00 25.00 C ATOM 711 O THR A 41 10.991 -7.975 1.465 1.00 25.00 O ATOM 712 CB THR A 41 10.779 -5.721 3.767 1.00 25.00 C ATOM 713 OG1 THR A 41 11.116 -4.434 4.294 1.00 25.00 O ATOM 714 CG2 THR A 41 11.767 -6.724 4.348 1.00 25.00 C ATOM 0 H THR A 41 9.563 -4.023 2.399 1.00 25.00 H new ATOM 0 HA THR A 41 11.879 -5.587 1.879 1.00 25.00 H new ATOM 0 HB THR A 41 9.765 -6.013 4.039 1.00 25.00 H new ATOM 0 HG1 THR A 41 10.351 -3.829 4.194 1.00 25.00 H new ATOM 0 HG21 THR A 41 11.690 -6.723 5.435 1.00 25.00 H new ATOM 0 HG22 THR A 41 11.539 -7.720 3.969 1.00 25.00 H new ATOM 0 HG23 THR A 41 12.780 -6.448 4.056 1.00 25.00 H new ATOM 722 N CYS A 42 8.964 -7.028 1.458 1.00 25.00 N ATOM 723 CA CYS A 42 8.269 -8.231 1.001 1.00 25.00 C ATOM 724 C CYS A 42 7.420 -7.956 -0.240 1.00 25.00 C ATOM 725 O CYS A 42 6.194 -7.849 -0.139 1.00 25.00 O ATOM 726 CB CYS A 42 7.354 -8.748 2.115 1.00 25.00 C ATOM 727 SG CYS A 42 8.235 -9.232 3.599 1.00 25.00 S ATOM 0 H CYS A 42 8.352 -6.224 1.599 1.00 25.00 H new ATOM 0 HA CYS A 42 9.026 -8.973 0.746 1.00 25.00 H new ATOM 0 HB2 CYS A 42 6.630 -7.973 2.368 1.00 25.00 H new ATOM 0 HB3 CYS A 42 6.789 -9.603 1.743 1.00 25.00 H new ATOM 0 HG CYS A 42 8.012 -10.489 3.846 1.00 25.00 H new ATOM 733 N PRO A 43 8.039 -7.904 -1.432 1.00 25.00 N ATOM 734 CA PRO A 43 7.229 -7.650 -2.632 1.00 25.00 C ATOM 735 C PRO A 43 6.296 -8.813 -2.980 1.00 25.00 C ATOM 736 O PRO A 43 5.306 -8.647 -3.684 1.00 25.00 O ATOM 737 CB PRO A 43 8.287 -7.430 -3.715 1.00 25.00 C ATOM 738 CG PRO A 43 9.447 -8.249 -3.263 1.00 25.00 C ATOM 739 CD PRO A 43 9.467 -8.067 -1.767 1.00 25.00 C ATOM 0 HA PRO A 43 6.551 -6.806 -2.505 1.00 25.00 H new ATOM 0 HB2 PRO A 43 7.929 -7.752 -4.693 1.00 25.00 H new ATOM 0 HB3 PRO A 43 8.553 -6.377 -3.804 1.00 25.00 H new ATOM 0 HG2 PRO A 43 9.325 -9.297 -3.535 1.00 25.00 H new ATOM 0 HG3 PRO A 43 10.377 -7.908 -3.718 1.00 25.00 H new ATOM 0 HD2 PRO A 43 9.904 -8.928 -1.262 1.00 25.00 H new ATOM 0 HD3 PRO A 43 10.052 -7.195 -1.475 1.00 25.00 H new ATOM 747 N TRP A 44 6.584 -9.984 -2.432 1.00 25.00 N ATOM 748 CA TRP A 44 5.724 -11.150 -2.609 1.00 25.00 C ATOM 749 C TRP A 44 4.466 -11.092 -1.737 1.00 25.00 C ATOM 750 O TRP A 44 3.521 -11.831 -1.975 1.00 25.00 O ATOM 751 CB TRP A 44 6.507 -12.424 -2.295 1.00 25.00 C ATOM 752 CG TRP A 44 7.551 -12.234 -1.231 1.00 25.00 C ATOM 753 CD1 TRP A 44 7.357 -11.882 0.062 1.00 25.00 C ATOM 754 CD2 TRP A 44 8.977 -12.390 -1.376 1.00 25.00 C ATOM 755 NE1 TRP A 44 8.536 -11.803 0.747 1.00 25.00 N ATOM 756 CE2 TRP A 44 9.561 -12.109 -0.104 1.00 25.00 C ATOM 757 CE3 TRP A 44 9.823 -12.737 -2.448 1.00 25.00 C ATOM 758 CZ2 TRP A 44 10.951 -12.169 0.117 1.00 25.00 C ATOM 759 CZ3 TRP A 44 11.223 -12.805 -2.227 1.00 25.00 C ATOM 760 CH2 TRP A 44 11.770 -12.519 -0.942 1.00 25.00 C ATOM 0 H TRP A 44 7.410 -10.155 -1.858 1.00 25.00 H new ATOM 0 HA TRP A 44 5.399 -11.153 -3.649 1.00 25.00 H new ATOM 0 HB2 TRP A 44 5.811 -13.200 -1.977 1.00 25.00 H new ATOM 0 HB3 TRP A 44 6.988 -12.780 -3.206 1.00 25.00 H new ATOM 0 HD1 TRP A 44 6.388 -11.687 0.498 1.00 25.00 H new ATOM 0 HE1 TRP A 44 8.635 -11.556 1.732 1.00 25.00 H new ATOM 0 HE3 TRP A 44 9.412 -12.948 -3.424 1.00 25.00 H new ATOM 0 HZ2 TRP A 44 11.367 -11.947 1.089 1.00 25.00 H new ATOM 0 HZ3 TRP A 44 11.880 -13.076 -3.040 1.00 25.00 H new ATOM 0 HH2 TRP A 44 12.838 -12.576 -0.793 1.00 25.00 H new ATOM 771 N PHE A 45 4.430 -10.221 -0.735 1.00 25.00 N ATOM 772 CA PHE A 45 3.250 -10.148 0.130 1.00 25.00 C ATOM 773 C PHE A 45 2.024 -9.561 -0.596 1.00 25.00 C ATOM 774 O PHE A 45 0.967 -10.191 -0.605 1.00 25.00 O ATOM 775 CB PHE A 45 3.536 -9.378 1.424 1.00 25.00 C ATOM 776 CG PHE A 45 2.418 -9.470 2.427 1.00 25.00 C ATOM 777 CD1 PHE A 45 2.378 -10.527 3.359 1.00 25.00 C ATOM 778 CD2 PHE A 45 1.380 -8.518 2.432 1.00 25.00 C ATOM 779 CE1 PHE A 45 1.317 -10.630 4.295 1.00 25.00 C ATOM 780 CE2 PHE A 45 0.312 -8.618 3.354 1.00 25.00 C ATOM 781 CZ PHE A 45 0.283 -9.672 4.290 1.00 25.00 C ATOM 0 H PHE A 45 5.180 -9.570 -0.502 1.00 25.00 H new ATOM 0 HA PHE A 45 3.008 -11.176 0.398 1.00 25.00 H new ATOM 0 HB2 PHE A 45 4.451 -9.763 1.873 1.00 25.00 H new ATOM 0 HB3 PHE A 45 3.715 -8.330 1.184 1.00 25.00 H new ATOM 0 HD1 PHE A 45 3.164 -11.267 3.360 1.00 25.00 H new ATOM 0 HD2 PHE A 45 1.400 -7.703 1.724 1.00 25.00 H new ATOM 0 HE1 PHE A 45 1.302 -11.440 5.009 1.00 25.00 H new ATOM 0 HE2 PHE A 45 -0.482 -7.886 3.341 1.00 25.00 H new ATOM 0 HZ PHE A 45 -0.528 -9.745 5.000 1.00 25.00 H new ATOM 791 N PRO A 46 2.148 -8.385 -1.260 1.00 25.00 N ATOM 792 CA PRO A 46 0.932 -8.006 -1.993 1.00 25.00 C ATOM 793 C PRO A 46 0.656 -8.908 -3.198 1.00 25.00 C ATOM 794 O PRO A 46 -0.474 -9.004 -3.654 1.00 25.00 O ATOM 795 CB PRO A 46 1.231 -6.571 -2.435 1.00 25.00 C ATOM 796 CG PRO A 46 2.698 -6.545 -2.597 1.00 25.00 C ATOM 797 CD PRO A 46 3.205 -7.366 -1.441 1.00 25.00 C ATOM 0 HA PRO A 46 0.036 -8.102 -1.379 1.00 25.00 H new ATOM 0 HB2 PRO A 46 0.722 -6.326 -3.367 1.00 25.00 H new ATOM 0 HB3 PRO A 46 0.899 -5.847 -1.691 1.00 25.00 H new ATOM 0 HG2 PRO A 46 3.002 -6.971 -3.553 1.00 25.00 H new ATOM 0 HG3 PRO A 46 3.086 -5.527 -2.564 1.00 25.00 H new ATOM 0 HD2 PRO A 46 4.170 -7.822 -1.664 1.00 25.00 H new ATOM 0 HD3 PRO A 46 3.338 -6.760 -0.545 1.00 25.00 H new ATOM 805 N GLN A 47 1.687 -9.592 -3.684 1.00 25.00 N ATOM 806 CA GLN A 47 1.550 -10.510 -4.810 1.00 25.00 C ATOM 807 C GLN A 47 0.659 -11.710 -4.449 1.00 25.00 C ATOM 808 O GLN A 47 -0.135 -12.160 -5.271 1.00 25.00 O ATOM 809 CB GLN A 47 2.944 -10.982 -5.239 1.00 25.00 C ATOM 810 CG GLN A 47 2.978 -11.824 -6.498 1.00 25.00 C ATOM 811 CD GLN A 47 3.565 -13.190 -6.233 1.00 25.00 C ATOM 812 OE1 GLN A 47 4.763 -13.340 -6.052 1.00 25.00 O ATOM 813 NE2 GLN A 47 2.724 -14.186 -6.185 1.00 25.00 N ATOM 0 H GLN A 47 2.634 -9.527 -3.312 1.00 25.00 H new ATOM 0 HA GLN A 47 1.068 -9.988 -5.636 1.00 25.00 H new ATOM 0 HB2 GLN A 47 3.577 -10.107 -5.388 1.00 25.00 H new ATOM 0 HB3 GLN A 47 3.383 -11.557 -4.424 1.00 25.00 H new ATOM 0 HG2 GLN A 47 1.968 -11.931 -6.893 1.00 25.00 H new ATOM 0 HG3 GLN A 47 3.567 -11.315 -7.262 1.00 25.00 H new ATOM 0 HE21 GLN A 47 1.730 -14.022 -6.342 1.00 25.00 H new ATOM 0 HE22 GLN A 47 3.061 -15.129 -5.991 1.00 25.00 H new ATOM 822 N GLU A 48 0.770 -12.223 -3.228 1.00 25.00 N ATOM 823 CA GLU A 48 -0.113 -13.315 -2.793 1.00 25.00 C ATOM 824 C GLU A 48 -1.421 -12.749 -2.221 1.00 25.00 C ATOM 825 O GLU A 48 -2.471 -13.397 -2.275 1.00 25.00 O ATOM 826 CB GLU A 48 0.591 -14.241 -1.786 1.00 25.00 C ATOM 827 CG GLU A 48 0.940 -13.617 -0.433 1.00 25.00 C ATOM 828 CD GLU A 48 1.694 -14.591 0.467 1.00 25.00 C ATOM 829 OE1 GLU A 48 1.682 -15.813 0.169 1.00 25.00 O ATOM 830 OE2 GLU A 48 2.189 -14.171 1.534 1.00 25.00 O ATOM 0 H GLU A 48 1.446 -11.913 -2.530 1.00 25.00 H new ATOM 0 HA GLU A 48 -0.359 -13.922 -3.664 1.00 25.00 H new ATOM 0 HB2 GLU A 48 -0.047 -15.107 -1.611 1.00 25.00 H new ATOM 0 HB3 GLU A 48 1.510 -14.609 -2.242 1.00 25.00 H new ATOM 0 HG2 GLU A 48 1.546 -12.725 -0.591 1.00 25.00 H new ATOM 0 HG3 GLU A 48 0.025 -13.297 0.065 1.00 25.00 H new ATOM 837 N GLY A 49 -1.357 -11.523 -1.717 1.00 25.00 N ATOM 838 CA GLY A 49 -2.541 -10.797 -1.279 1.00 25.00 C ATOM 839 C GLY A 49 -3.418 -11.484 -0.246 1.00 25.00 C ATOM 840 O GLY A 49 -4.629 -11.279 -0.232 1.00 25.00 O ATOM 0 H GLY A 49 -0.486 -11.006 -1.601 1.00 25.00 H new ATOM 0 HA2 GLY A 49 -2.221 -9.838 -0.871 1.00 25.00 H new ATOM 0 HA3 GLY A 49 -3.152 -10.582 -2.156 1.00 25.00 H new ATOM 844 N THR A 50 -2.828 -12.312 0.600 1.00 25.00 N ATOM 845 CA THR A 50 -3.581 -13.036 1.624 1.00 25.00 C ATOM 846 C THR A 50 -3.011 -12.651 2.972 1.00 25.00 C ATOM 847 O THR A 50 -1.794 -12.630 3.155 1.00 25.00 O ATOM 848 CB THR A 50 -3.479 -14.555 1.421 1.00 25.00 C ATOM 849 OG1 THR A 50 -3.892 -14.885 0.091 1.00 25.00 O ATOM 850 CG2 THR A 50 -4.366 -15.310 2.415 1.00 25.00 C ATOM 0 H THR A 50 -1.826 -12.503 0.602 1.00 25.00 H new ATOM 0 HA THR A 50 -4.637 -12.772 1.559 1.00 25.00 H new ATOM 0 HB THR A 50 -2.442 -14.849 1.585 1.00 25.00 H new ATOM 0 HG1 THR A 50 -3.275 -14.479 -0.553 1.00 25.00 H new ATOM 0 HG21 THR A 50 -4.271 -16.383 2.245 1.00 25.00 H new ATOM 0 HG22 THR A 50 -4.054 -15.075 3.433 1.00 25.00 H new ATOM 0 HG23 THR A 50 -5.405 -15.011 2.276 1.00 25.00 H new ATOM 858 N ILE A 51 -3.879 -12.288 3.900 1.00 25.00 N ATOM 859 CA ILE A 51 -3.445 -11.743 5.178 1.00 25.00 C ATOM 860 C ILE A 51 -3.787 -12.717 6.297 1.00 25.00 C ATOM 861 O ILE A 51 -4.751 -12.586 7.053 1.00 25.00 O ATOM 862 CB ILE A 51 -4.003 -10.317 5.381 1.00 25.00 C ATOM 863 CG1 ILE A 51 -3.526 -9.433 4.205 1.00 25.00 C ATOM 864 CG2 ILE A 51 -3.504 -9.710 6.706 1.00 25.00 C ATOM 865 CD1 ILE A 51 -4.126 -8.090 4.158 1.00 25.00 C ATOM 0 H ILE A 51 -4.891 -12.360 3.794 1.00 25.00 H new ATOM 0 HA ILE A 51 -2.361 -11.631 5.192 1.00 25.00 H new ATOM 0 HB ILE A 51 -5.091 -10.363 5.416 1.00 25.00 H new ATOM 0 HG12 ILE A 51 -2.442 -9.329 4.263 1.00 25.00 H new ATOM 0 HG13 ILE A 51 -3.747 -9.947 3.270 1.00 25.00 H new ATOM 0 HG21 ILE A 51 -3.912 -8.706 6.823 1.00 25.00 H new ATOM 0 HG22 ILE A 51 -3.831 -10.334 7.538 1.00 25.00 H new ATOM 0 HG23 ILE A 51 -2.415 -9.660 6.696 1.00 25.00 H new ATOM 0 HD11 ILE A 51 -3.731 -7.545 3.301 1.00 25.00 H new ATOM 0 HD12 ILE A 51 -5.208 -8.178 4.065 1.00 25.00 H new ATOM 0 HD13 ILE A 51 -3.883 -7.551 5.074 1.00 25.00 H new ATOM 877 N ASP A 52 -2.922 -13.708 6.388 1.00 25.00 N ATOM 878 CA ASP A 52 -2.979 -14.715 7.436 1.00 25.00 C ATOM 879 C ASP A 52 -1.978 -14.273 8.463 1.00 25.00 C ATOM 880 O ASP A 52 -0.935 -13.729 8.111 1.00 25.00 O ATOM 881 CB ASP A 52 -2.497 -16.081 6.945 1.00 25.00 C ATOM 882 CG ASP A 52 -3.469 -16.765 6.037 1.00 25.00 C ATOM 883 OD1 ASP A 52 -4.598 -17.027 6.480 1.00 25.00 O ATOM 884 OD2 ASP A 52 -3.039 -17.201 4.948 1.00 25.00 O ATOM 0 H ASP A 52 -2.152 -13.840 5.732 1.00 25.00 H new ATOM 0 HA ASP A 52 -4.004 -14.809 7.794 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -1.549 -15.956 6.422 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -2.304 -16.721 7.806 1.00 25.00 H new ATOM 889 N ILE A 53 -2.191 -14.625 9.718 1.00 25.00 N ATOM 890 CA ILE A 53 -1.168 -14.352 10.721 1.00 25.00 C ATOM 891 C ILE A 53 0.057 -15.202 10.398 1.00 25.00 C ATOM 892 O ILE A 53 1.183 -14.804 10.647 1.00 25.00 O ATOM 893 CB ILE A 53 -1.665 -14.618 12.179 1.00 25.00 C ATOM 894 CG1 ILE A 53 -0.624 -14.143 13.201 1.00 25.00 C ATOM 895 CG2 ILE A 53 -1.911 -16.120 12.448 1.00 25.00 C ATOM 896 CD1 ILE A 53 -0.292 -12.676 13.167 1.00 25.00 C ATOM 0 H ILE A 53 -3.033 -15.086 10.064 1.00 25.00 H new ATOM 0 HA ILE A 53 -0.917 -13.292 10.682 1.00 25.00 H new ATOM 0 HB ILE A 53 -2.601 -14.068 12.282 1.00 25.00 H new ATOM 0 HG12 ILE A 53 -0.984 -14.391 14.199 1.00 25.00 H new ATOM 0 HG13 ILE A 53 0.295 -14.708 13.044 1.00 25.00 H new ATOM 0 HG21 ILE A 53 -2.255 -16.254 13.474 1.00 25.00 H new ATOM 0 HG22 ILE A 53 -2.669 -16.494 11.759 1.00 25.00 H new ATOM 0 HG23 ILE A 53 -0.983 -16.673 12.301 1.00 25.00 H new ATOM 0 HD11 ILE A 53 0.453 -12.454 13.931 1.00 25.00 H new ATOM 0 HD12 ILE A 53 0.105 -12.415 12.186 1.00 25.00 H new ATOM 0 HD13 ILE A 53 -1.194 -12.094 13.360 1.00 25.00 H new ATOM 908 N LYS A 54 -0.166 -16.361 9.793 1.00 25.00 N ATOM 909 CA LYS A 54 0.930 -17.260 9.433 1.00 25.00 C ATOM 910 C LYS A 54 1.797 -16.650 8.336 1.00 25.00 C ATOM 911 O LYS A 54 3.005 -16.826 8.334 1.00 25.00 O ATOM 912 CB LYS A 54 0.385 -18.616 8.976 1.00 25.00 C ATOM 913 CG LYS A 54 -0.364 -19.372 10.074 1.00 25.00 C ATOM 914 CD LYS A 54 -0.815 -20.746 9.579 1.00 25.00 C ATOM 915 CE LYS A 54 -1.661 -21.484 10.627 1.00 25.00 C ATOM 916 NZ LYS A 54 -0.885 -21.813 11.876 1.00 25.00 N ATOM 0 H LYS A 54 -1.093 -16.703 9.540 1.00 25.00 H new ATOM 0 HA LYS A 54 1.547 -17.408 10.319 1.00 25.00 H new ATOM 0 HB2 LYS A 54 -0.284 -18.463 8.129 1.00 25.00 H new ATOM 0 HB3 LYS A 54 1.212 -19.231 8.622 1.00 25.00 H new ATOM 0 HG2 LYS A 54 0.280 -19.488 10.946 1.00 25.00 H new ATOM 0 HG3 LYS A 54 -1.231 -18.793 10.393 1.00 25.00 H new ATOM 0 HD2 LYS A 54 -1.393 -20.630 8.662 1.00 25.00 H new ATOM 0 HD3 LYS A 54 0.060 -21.347 9.330 1.00 25.00 H new ATOM 0 HE2 LYS A 54 -2.522 -20.870 10.891 1.00 25.00 H new ATOM 0 HE3 LYS A 54 -2.048 -22.405 10.192 1.00 25.00 H new ATOM 0 HZ1 LYS A 54 -1.494 -22.340 12.534 1.00 25.00 H new ATOM 0 HZ2 LYS A 54 -0.059 -22.394 11.628 1.00 25.00 H new ATOM 0 HZ3 LYS A 54 -0.566 -20.933 12.329 1.00 25.00 H new ATOM 930 N ARG A 55 1.184 -15.898 7.432 1.00 25.00 N ATOM 931 CA ARG A 55 1.934 -15.218 6.375 1.00 25.00 C ATOM 932 C ARG A 55 2.598 -13.986 6.953 1.00 25.00 C ATOM 933 O ARG A 55 3.727 -13.667 6.619 1.00 25.00 O ATOM 934 CB ARG A 55 1.008 -14.828 5.227 1.00 25.00 C ATOM 935 CG ARG A 55 0.552 -16.023 4.409 1.00 25.00 C ATOM 936 CD ARG A 55 -0.430 -15.596 3.358 1.00 25.00 C ATOM 937 NE ARG A 55 -0.239 -16.354 2.119 1.00 25.00 N ATOM 938 CZ ARG A 55 -0.980 -17.361 1.684 1.00 25.00 C ATOM 939 NH1 ARG A 55 -2.000 -17.849 2.347 1.00 25.00 N ATOM 940 NH2 ARG A 55 -0.668 -17.885 0.536 1.00 25.00 N ATOM 0 H ARG A 55 0.176 -15.742 7.406 1.00 25.00 H new ATOM 0 HA ARG A 55 2.694 -15.893 5.983 1.00 25.00 H new ATOM 0 HB2 ARG A 55 0.135 -14.314 5.629 1.00 25.00 H new ATOM 0 HB3 ARG A 55 1.522 -14.122 4.575 1.00 25.00 H new ATOM 0 HG2 ARG A 55 1.413 -16.499 3.939 1.00 25.00 H new ATOM 0 HG3 ARG A 55 0.094 -16.765 5.063 1.00 25.00 H new ATOM 0 HD2 ARG A 55 -1.446 -15.742 3.724 1.00 25.00 H new ATOM 0 HD3 ARG A 55 -0.313 -14.531 3.158 1.00 25.00 H new ATOM 0 HE ARG A 55 0.547 -16.077 1.530 1.00 25.00 H new ATOM 0 HH11 ARG A 55 -2.259 -17.451 3.249 1.00 25.00 H new ATOM 0 HH12 ARG A 55 -2.534 -18.627 1.960 1.00 25.00 H new ATOM 0 HH21 ARG A 55 0.123 -17.518 0.006 1.00 25.00 H new ATOM 0 HH22 ARG A 55 -1.214 -18.663 0.165 1.00 25.00 H new ATOM 954 N TRP A 56 1.922 -13.342 7.890 1.00 25.00 N ATOM 955 CA TRP A 56 2.484 -12.186 8.579 1.00 25.00 C ATOM 956 C TRP A 56 3.754 -12.556 9.350 1.00 25.00 C ATOM 957 O TRP A 56 4.649 -11.730 9.484 1.00 25.00 O ATOM 958 CB TRP A 56 1.441 -11.575 9.515 1.00 25.00 C ATOM 959 CG TRP A 56 1.811 -10.204 9.992 1.00 25.00 C ATOM 960 CD1 TRP A 56 2.100 -9.821 11.262 1.00 25.00 C ATOM 961 CD2 TRP A 56 1.951 -9.010 9.194 1.00 25.00 C ATOM 962 NE1 TRP A 56 2.407 -8.493 11.331 1.00 25.00 N ATOM 963 CE2 TRP A 56 2.336 -7.958 10.075 1.00 25.00 C ATOM 964 CE3 TRP A 56 1.798 -8.723 7.822 1.00 25.00 C ATOM 965 CZ2 TRP A 56 2.582 -6.647 9.623 1.00 25.00 C ATOM 966 CZ3 TRP A 56 2.044 -7.405 7.362 1.00 25.00 C ATOM 967 CH2 TRP A 56 2.428 -6.379 8.275 1.00 25.00 C ATOM 0 H TRP A 56 0.982 -13.598 8.193 1.00 25.00 H new ATOM 0 HA TRP A 56 2.762 -11.446 7.829 1.00 25.00 H new ATOM 0 HB2 TRP A 56 0.482 -11.527 8.999 1.00 25.00 H new ATOM 0 HB3 TRP A 56 1.307 -12.229 10.377 1.00 25.00 H new ATOM 0 HD1 TRP A 56 2.088 -10.486 12.113 1.00 25.00 H new ATOM 0 HE1 TRP A 56 2.650 -7.983 12.180 1.00 25.00 H new ATOM 0 HE3 TRP A 56 1.497 -9.497 7.131 1.00 25.00 H new ATOM 0 HZ2 TRP A 56 2.883 -5.871 10.311 1.00 25.00 H new ATOM 0 HZ3 TRP A 56 1.940 -7.176 6.312 1.00 25.00 H new ATOM 0 HH2 TRP A 56 2.601 -5.378 7.908 1.00 25.00 H new ATOM 978 N ARG A 57 3.871 -13.810 9.795 1.00 25.00 N ATOM 979 CA ARG A 57 5.111 -14.265 10.459 1.00 25.00 C ATOM 980 C ARG A 57 6.295 -14.051 9.518 1.00 25.00 C ATOM 981 O ARG A 57 7.312 -13.512 9.917 1.00 25.00 O ATOM 982 CB ARG A 57 5.093 -15.757 10.861 1.00 25.00 C ATOM 983 CG ARG A 57 3.871 -16.286 11.637 1.00 25.00 C ATOM 984 CD ARG A 57 3.463 -15.475 12.865 1.00 25.00 C ATOM 985 NE ARG A 57 2.601 -16.257 13.776 1.00 25.00 N ATOM 986 CZ ARG A 57 1.934 -15.766 14.819 1.00 25.00 C ATOM 987 NH1 ARG A 57 2.011 -14.512 15.176 1.00 25.00 N ATOM 988 NH2 ARG A 57 1.151 -16.546 15.507 1.00 25.00 N ATOM 0 H ARG A 57 3.143 -14.520 9.714 1.00 25.00 H new ATOM 0 HA ARG A 57 5.196 -13.677 11.373 1.00 25.00 H new ATOM 0 HB2 ARG A 57 5.191 -16.349 9.951 1.00 25.00 H new ATOM 0 HB3 ARG A 57 5.980 -15.950 11.464 1.00 25.00 H new ATOM 0 HG2 ARG A 57 3.022 -16.330 10.955 1.00 25.00 H new ATOM 0 HG3 ARG A 57 4.079 -17.308 11.953 1.00 25.00 H new ATOM 0 HD2 ARG A 57 4.356 -15.150 13.399 1.00 25.00 H new ATOM 0 HD3 ARG A 57 2.935 -14.575 12.548 1.00 25.00 H new ATOM 0 HE ARG A 57 2.509 -17.256 13.590 1.00 25.00 H new ATOM 0 HH11 ARG A 57 2.599 -13.867 14.649 1.00 25.00 H new ATOM 0 HH12 ARG A 57 1.483 -14.178 15.982 1.00 25.00 H new ATOM 0 HH21 ARG A 57 1.051 -17.527 15.246 1.00 25.00 H new ATOM 0 HH22 ARG A 57 0.637 -16.176 16.307 1.00 25.00 H new ATOM 1002 N ARG A 58 6.125 -14.429 8.256 1.00 25.00 N ATOM 1003 CA ARG A 58 7.194 -14.313 7.255 1.00 25.00 C ATOM 1004 C ARG A 58 7.617 -12.885 6.984 1.00 25.00 C ATOM 1005 O ARG A 58 8.748 -12.646 6.613 1.00 25.00 O ATOM 1006 CB ARG A 58 6.780 -14.960 5.935 1.00 25.00 C ATOM 1007 CG ARG A 58 6.618 -16.471 6.026 1.00 25.00 C ATOM 1008 CD ARG A 58 6.352 -17.094 4.649 1.00 25.00 C ATOM 1009 NE ARG A 58 7.431 -16.800 3.685 1.00 25.00 N ATOM 1010 CZ ARG A 58 8.605 -17.423 3.618 1.00 25.00 C ATOM 1011 NH1 ARG A 58 8.935 -18.399 4.428 1.00 25.00 N ATOM 1012 NH2 ARG A 58 9.469 -17.046 2.717 1.00 25.00 N ATOM 0 H ARG A 58 5.255 -14.821 7.895 1.00 25.00 H new ATOM 0 HA ARG A 58 8.048 -14.836 7.685 1.00 25.00 H new ATOM 0 HB2 ARG A 58 5.839 -14.521 5.603 1.00 25.00 H new ATOM 0 HB3 ARG A 58 7.526 -14.727 5.175 1.00 25.00 H new ATOM 0 HG2 ARG A 58 7.519 -16.909 6.456 1.00 25.00 H new ATOM 0 HG3 ARG A 58 5.795 -16.709 6.699 1.00 25.00 H new ATOM 0 HD2 ARG A 58 6.246 -18.174 4.755 1.00 25.00 H new ATOM 0 HD3 ARG A 58 5.406 -16.718 4.259 1.00 25.00 H new ATOM 0 HE ARG A 58 7.262 -16.053 3.011 1.00 25.00 H new ATOM 0 HH11 ARG A 58 8.280 -18.709 5.146 1.00 25.00 H new ATOM 0 HH12 ARG A 58 9.846 -18.848 4.340 1.00 25.00 H new ATOM 0 HH21 ARG A 58 9.240 -16.285 2.078 1.00 25.00 H new ATOM 0 HH22 ARG A 58 10.374 -17.512 2.651 1.00 25.00 H new ATOM 1026 N VAL A 59 6.724 -11.933 7.188 1.00 25.00 N ATOM 1027 CA VAL A 59 7.070 -10.524 7.000 1.00 25.00 C ATOM 1028 C VAL A 59 8.073 -10.131 8.080 1.00 25.00 C ATOM 1029 O VAL A 59 9.040 -9.417 7.830 1.00 25.00 O ATOM 1030 CB VAL A 59 5.809 -9.623 7.085 1.00 25.00 C ATOM 1031 CG1 VAL A 59 6.156 -8.162 6.830 1.00 25.00 C ATOM 1032 CG2 VAL A 59 4.775 -10.090 6.070 1.00 25.00 C ATOM 0 H VAL A 59 5.762 -12.101 7.481 1.00 25.00 H new ATOM 0 HA VAL A 59 7.505 -10.385 6.010 1.00 25.00 H new ATOM 0 HB VAL A 59 5.400 -9.705 8.092 1.00 25.00 H new ATOM 0 HG11 VAL A 59 5.252 -7.556 6.896 1.00 25.00 H new ATOM 0 HG12 VAL A 59 6.875 -7.823 7.576 1.00 25.00 H new ATOM 0 HG13 VAL A 59 6.589 -8.059 5.835 1.00 25.00 H new ATOM 0 HG21 VAL A 59 3.891 -9.455 6.133 1.00 25.00 H new ATOM 0 HG22 VAL A 59 5.196 -10.028 5.067 1.00 25.00 H new ATOM 0 HG23 VAL A 59 4.496 -11.122 6.283 1.00 25.00 H new ATOM 1042 N GLY A 60 7.862 -10.655 9.278 1.00 25.00 N ATOM 1043 CA GLY A 60 8.767 -10.388 10.378 1.00 25.00 C ATOM 1044 C GLY A 60 10.078 -11.128 10.209 1.00 25.00 C ATOM 1045 O GLY A 60 11.143 -10.588 10.507 1.00 25.00 O ATOM 0 H GLY A 60 7.077 -11.263 9.509 1.00 25.00 H new ATOM 0 HA2 GLY A 60 8.958 -9.317 10.442 1.00 25.00 H new ATOM 0 HA3 GLY A 60 8.299 -10.685 11.316 1.00 25.00 H new ATOM 1049 N ASP A 61 10.002 -12.343 9.682 1.00 25.00 N ATOM 1050 CA ASP A 61 11.197 -13.148 9.409 1.00 25.00 C ATOM 1051 C ASP A 61 12.057 -12.399 8.387 1.00 25.00 C ATOM 1052 O ASP A 61 13.279 -12.339 8.497 1.00 25.00 O ATOM 1053 CB ASP A 61 10.816 -14.526 8.835 1.00 25.00 C ATOM 1054 CG ASP A 61 9.949 -15.357 9.785 1.00 25.00 C ATOM 1055 OD1 ASP A 61 10.053 -15.197 11.018 1.00 25.00 O ATOM 1056 OD2 ASP A 61 9.143 -16.177 9.275 1.00 25.00 O ATOM 0 H ASP A 61 9.124 -12.799 9.432 1.00 25.00 H new ATOM 0 HA ASP A 61 11.743 -13.305 10.340 1.00 25.00 H new ATOM 0 HB2 ASP A 61 10.282 -14.386 7.895 1.00 25.00 H new ATOM 0 HB3 ASP A 61 11.726 -15.081 8.605 1.00 25.00 H new ATOM 1061 N CYS A 62 11.393 -11.785 7.415 1.00 25.00 N ATOM 1062 CA CYS A 62 12.061 -10.997 6.383 1.00 25.00 C ATOM 1063 C CYS A 62 12.788 -9.797 6.974 1.00 25.00 C ATOM 1064 O CYS A 62 13.925 -9.513 6.603 1.00 25.00 O ATOM 1065 CB CYS A 62 11.034 -10.492 5.373 1.00 25.00 C ATOM 1066 SG CYS A 62 11.271 -11.139 3.705 1.00 25.00 S ATOM 0 H CYS A 62 10.378 -11.818 7.319 1.00 25.00 H new ATOM 0 HA CYS A 62 12.791 -11.645 5.898 1.00 25.00 H new ATOM 0 HB2 CYS A 62 10.036 -10.762 5.718 1.00 25.00 H new ATOM 0 HB3 CYS A 62 11.076 -9.403 5.340 1.00 25.00 H new ATOM 0 HG CYS A 62 10.294 -10.744 2.944 1.00 25.00 H new ATOM 1072 N PHE A 63 12.149 -9.094 7.904 1.00 25.00 N ATOM 1073 CA PHE A 63 12.801 -7.951 8.538 1.00 25.00 C ATOM 1074 C PHE A 63 14.042 -8.422 9.274 1.00 25.00 C ATOM 1075 O PHE A 63 15.036 -7.724 9.290 1.00 25.00 O ATOM 1076 CB PHE A 63 11.898 -7.239 9.557 1.00 25.00 C ATOM 1077 CG PHE A 63 10.685 -6.568 8.960 1.00 25.00 C ATOM 1078 CD1 PHE A 63 10.786 -5.773 7.801 1.00 25.00 C ATOM 1079 CD2 PHE A 63 9.431 -6.695 9.588 1.00 25.00 C ATOM 1080 CE1 PHE A 63 9.642 -5.131 7.262 1.00 25.00 C ATOM 1081 CE2 PHE A 63 8.288 -6.049 9.061 1.00 25.00 C ATOM 1082 CZ PHE A 63 8.396 -5.272 7.892 1.00 25.00 C ATOM 0 H PHE A 63 11.202 -9.288 8.230 1.00 25.00 H new ATOM 0 HA PHE A 63 13.043 -7.248 7.741 1.00 25.00 H new ATOM 0 HB2 PHE A 63 11.567 -7.965 10.299 1.00 25.00 H new ATOM 0 HB3 PHE A 63 12.488 -6.490 10.085 1.00 25.00 H new ATOM 0 HD1 PHE A 63 11.744 -5.651 7.318 1.00 25.00 H new ATOM 0 HD2 PHE A 63 9.341 -7.293 10.483 1.00 25.00 H new ATOM 0 HE1 PHE A 63 9.730 -4.534 6.367 1.00 25.00 H new ATOM 0 HE2 PHE A 63 7.333 -6.152 9.555 1.00 25.00 H new ATOM 0 HZ PHE A 63 7.523 -4.786 7.482 1.00 25.00 H new ATOM 1092 N GLN A 64 13.982 -9.593 9.895 1.00 25.00 N ATOM 1093 CA GLN A 64 15.118 -10.102 10.662 1.00 25.00 C ATOM 1094 C GLN A 64 16.290 -10.454 9.761 1.00 25.00 C ATOM 1095 O GLN A 64 17.433 -10.144 10.081 1.00 25.00 O ATOM 1096 CB GLN A 64 14.715 -11.333 11.470 1.00 25.00 C ATOM 1097 CG GLN A 64 15.816 -11.817 12.408 1.00 25.00 C ATOM 1098 CD GLN A 64 15.371 -12.970 13.275 1.00 25.00 C ATOM 1099 OE1 GLN A 64 14.518 -12.822 14.135 1.00 25.00 O ATOM 1100 NE2 GLN A 64 15.954 -14.121 13.062 1.00 25.00 N ATOM 0 H GLN A 64 13.167 -10.206 9.885 1.00 25.00 H new ATOM 0 HA GLN A 64 15.429 -9.307 11.340 1.00 25.00 H new ATOM 0 HB2 GLN A 64 13.824 -11.102 12.053 1.00 25.00 H new ATOM 0 HB3 GLN A 64 14.448 -12.138 10.786 1.00 25.00 H new ATOM 0 HG2 GLN A 64 16.682 -12.122 11.820 1.00 25.00 H new ATOM 0 HG3 GLN A 64 16.137 -10.991 13.043 1.00 25.00 H new ATOM 0 HE21 GLN A 64 16.663 -14.207 12.334 1.00 25.00 H new ATOM 0 HE22 GLN A 64 15.700 -14.933 13.624 1.00 25.00 H new ATOM 1109 N ASP A 65 16.010 -11.089 8.636 1.00 25.00 N ATOM 1110 CA ASP A 65 17.057 -11.468 7.690 1.00 25.00 C ATOM 1111 C ASP A 65 17.766 -10.209 7.189 1.00 25.00 C ATOM 1112 O ASP A 65 18.990 -10.075 7.259 1.00 25.00 O ATOM 1113 CB ASP A 65 16.426 -12.227 6.522 1.00 25.00 C ATOM 1114 CG ASP A 65 17.404 -13.161 5.834 1.00 25.00 C ATOM 1115 OD1 ASP A 65 18.538 -12.737 5.544 1.00 25.00 O ATOM 1116 OD2 ASP A 65 17.037 -14.334 5.601 1.00 25.00 O ATOM 0 H ASP A 65 15.067 -11.355 8.351 1.00 25.00 H new ATOM 0 HA ASP A 65 17.788 -12.112 8.178 1.00 25.00 H new ATOM 0 HB2 ASP A 65 15.575 -12.803 6.886 1.00 25.00 H new ATOM 0 HB3 ASP A 65 16.040 -11.512 5.795 1.00 25.00 H new ATOM 1121 N TYR A 66 16.971 -9.239 6.773 1.00 25.00 N ATOM 1122 CA TYR A 66 17.500 -7.973 6.280 1.00 25.00 C ATOM 1123 C TYR A 66 18.278 -7.244 7.392 1.00 25.00 C ATOM 1124 O TYR A 66 19.346 -6.670 7.159 1.00 25.00 O ATOM 1125 CB TYR A 66 16.328 -7.117 5.786 1.00 25.00 C ATOM 1126 CG TYR A 66 16.630 -6.245 4.579 1.00 25.00 C ATOM 1127 CD1 TYR A 66 17.805 -5.465 4.500 1.00 25.00 C ATOM 1128 CD2 TYR A 66 15.728 -6.202 3.494 1.00 25.00 C ATOM 1129 CE1 TYR A 66 18.069 -4.665 3.359 1.00 25.00 C ATOM 1130 CE2 TYR A 66 15.984 -5.389 2.361 1.00 25.00 C ATOM 1131 CZ TYR A 66 17.153 -4.631 2.305 1.00 25.00 C ATOM 1132 OH TYR A 66 17.397 -3.842 1.209 1.00 25.00 O ATOM 0 H TYR A 66 15.953 -9.301 6.766 1.00 25.00 H new ATOM 0 HA TYR A 66 18.193 -8.155 5.458 1.00 25.00 H new ATOM 0 HB2 TYR A 66 15.496 -7.776 5.539 1.00 25.00 H new ATOM 0 HB3 TYR A 66 15.996 -6.477 6.603 1.00 25.00 H new ATOM 0 HD1 TYR A 66 18.510 -5.478 5.318 1.00 25.00 H new ATOM 0 HD2 TYR A 66 14.828 -6.798 3.527 1.00 25.00 H new ATOM 0 HE1 TYR A 66 18.977 -4.083 3.305 1.00 25.00 H new ATOM 0 HE2 TYR A 66 15.277 -5.357 1.545 1.00 25.00 H new ATOM 0 HH TYR A 66 16.661 -3.935 0.568 1.00 25.00 H new ATOM 1142 N PHE A 67 17.747 -7.287 8.606 1.00 25.00 N ATOM 1143 CA PHE A 67 18.370 -6.611 9.746 1.00 25.00 C ATOM 1144 C PHE A 67 19.697 -7.230 10.163 1.00 25.00 C ATOM 1145 O PHE A 67 20.631 -6.511 10.464 1.00 25.00 O ATOM 1146 CB PHE A 67 17.422 -6.648 10.949 1.00 25.00 C ATOM 1147 CG PHE A 67 17.975 -5.988 12.182 1.00 25.00 C ATOM 1148 CD1 PHE A 67 18.733 -6.727 13.114 1.00 25.00 C ATOM 1149 CD2 PHE A 67 17.728 -4.630 12.433 1.00 25.00 C ATOM 1150 CE1 PHE A 67 19.254 -6.110 14.276 1.00 25.00 C ATOM 1151 CE2 PHE A 67 18.231 -4.006 13.593 1.00 25.00 C ATOM 1152 CZ PHE A 67 19.003 -4.744 14.514 1.00 25.00 C ATOM 0 H PHE A 67 16.885 -7.783 8.832 1.00 25.00 H new ATOM 0 HA PHE A 67 18.568 -5.588 9.424 1.00 25.00 H new ATOM 0 HB2 PHE A 67 16.486 -6.160 10.677 1.00 25.00 H new ATOM 0 HB3 PHE A 67 17.185 -7.686 11.180 1.00 25.00 H new ATOM 0 HD1 PHE A 67 18.918 -7.776 12.939 1.00 25.00 H new ATOM 0 HD2 PHE A 67 17.145 -4.055 11.729 1.00 25.00 H new ATOM 0 HE1 PHE A 67 19.842 -6.684 14.978 1.00 25.00 H new ATOM 0 HE2 PHE A 67 18.025 -2.962 13.776 1.00 25.00 H new ATOM 0 HZ PHE A 67 19.400 -4.265 15.397 1.00 25.00 H new ATOM 1162 N ASN A 68 19.783 -8.549 10.235 1.00 25.00 N ATOM 1163 CA ASN A 68 20.986 -9.182 10.786 1.00 25.00 C ATOM 1164 C ASN A 68 22.219 -8.909 9.933 1.00 25.00 C ATOM 1165 O ASN A 68 23.329 -8.819 10.438 1.00 25.00 O ATOM 1166 CB ASN A 68 20.772 -10.691 10.987 1.00 25.00 C ATOM 1167 CG ASN A 68 21.405 -11.537 9.902 1.00 25.00 C ATOM 1168 OD1 ASN A 68 22.500 -12.039 10.066 1.00 25.00 O ATOM 1169 ND2 ASN A 68 20.701 -11.740 8.830 1.00 25.00 N ATOM 0 H ASN A 68 19.056 -9.196 9.928 1.00 25.00 H new ATOM 0 HA ASN A 68 21.168 -8.732 11.762 1.00 25.00 H new ATOM 0 HB2 ASN A 68 21.184 -10.984 11.953 1.00 25.00 H new ATOM 0 HB3 ASN A 68 19.702 -10.898 11.021 1.00 25.00 H new ATOM 0 HD21 ASN A 68 21.063 -12.339 8.088 1.00 25.00 H new ATOM 0 HD22 ASN A 68 19.786 -11.300 8.730 1.00 25.00 H new ATOM 1176 N THR A 69 21.991 -8.724 8.647 1.00 25.00 N ATOM 1177 CA THR A 69 23.066 -8.449 7.698 1.00 25.00 C ATOM 1178 C THR A 69 23.766 -7.092 7.924 1.00 25.00 C ATOM 1179 O THR A 69 24.986 -7.005 7.811 1.00 25.00 O ATOM 1180 CB THR A 69 22.509 -8.498 6.250 1.00 25.00 C ATOM 1181 OG1 THR A 69 21.761 -9.705 6.074 1.00 25.00 O ATOM 1182 CG2 THR A 69 23.628 -8.505 5.220 1.00 25.00 C ATOM 0 H THR A 69 21.062 -8.759 8.227 1.00 25.00 H new ATOM 0 HA THR A 69 23.818 -9.222 7.858 1.00 25.00 H new ATOM 0 HB THR A 69 21.889 -7.613 6.106 1.00 25.00 H new ATOM 0 HG1 THR A 69 20.858 -9.586 6.435 1.00 25.00 H new ATOM 0 HG21 THR A 69 23.200 -8.540 4.218 1.00 25.00 H new ATOM 0 HG22 THR A 69 24.227 -7.601 5.328 1.00 25.00 H new ATOM 0 HG23 THR A 69 24.260 -9.380 5.375 1.00 25.00 H new ATOM 1190 N PHE A 70 23.007 -6.033 8.205 1.00 25.00 N ATOM 1191 CA PHE A 70 23.594 -4.682 8.337 1.00 25.00 C ATOM 1192 C PHE A 70 23.266 -3.917 9.628 1.00 25.00 C ATOM 1193 O PHE A 70 23.689 -2.776 9.810 1.00 25.00 O ATOM 1194 CB PHE A 70 23.186 -3.834 7.134 1.00 25.00 C ATOM 1195 CG PHE A 70 24.081 -4.009 5.944 1.00 25.00 C ATOM 1196 CD1 PHE A 70 25.309 -3.326 5.879 1.00 25.00 C ATOM 1197 CD2 PHE A 70 23.705 -4.844 4.877 1.00 25.00 C ATOM 1198 CE1 PHE A 70 26.167 -3.479 4.763 1.00 25.00 C ATOM 1199 CE2 PHE A 70 24.554 -5.008 3.752 1.00 25.00 C ATOM 1200 CZ PHE A 70 25.791 -4.327 3.701 1.00 25.00 C ATOM 0 H PHE A 70 21.998 -6.073 8.346 1.00 25.00 H new ATOM 0 HA PHE A 70 24.670 -4.853 8.382 1.00 25.00 H new ATOM 0 HB2 PHE A 70 22.165 -4.089 6.850 1.00 25.00 H new ATOM 0 HB3 PHE A 70 23.184 -2.784 7.425 1.00 25.00 H new ATOM 0 HD1 PHE A 70 25.601 -2.676 6.691 1.00 25.00 H new ATOM 0 HD2 PHE A 70 22.760 -5.366 4.914 1.00 25.00 H new ATOM 0 HE1 PHE A 70 27.107 -2.948 4.725 1.00 25.00 H new ATOM 0 HE2 PHE A 70 24.256 -5.651 2.937 1.00 25.00 H new ATOM 0 HZ PHE A 70 26.446 -4.455 2.852 1.00 25.00 H new ATOM 1210 N GLY A 71 22.529 -4.531 10.535 1.00 25.00 N ATOM 1211 CA GLY A 71 22.227 -3.887 11.801 1.00 25.00 C ATOM 1212 C GLY A 71 21.141 -2.821 11.734 1.00 25.00 C ATOM 1213 O GLY A 71 20.392 -2.725 10.746 1.00 25.00 O ATOM 0 H GLY A 71 22.132 -5.464 10.422 1.00 25.00 H new ATOM 0 HA2 GLY A 71 21.923 -4.650 12.517 1.00 25.00 H new ATOM 0 HA3 GLY A 71 23.139 -3.432 12.188 1.00 25.00 H new ATOM 1217 N PRO A 72 21.021 -1.989 12.788 1.00 25.00 N ATOM 1218 CA PRO A 72 19.944 -0.995 12.873 1.00 25.00 C ATOM 1219 C PRO A 72 20.057 0.176 11.909 1.00 25.00 C ATOM 1220 O PRO A 72 19.116 0.951 11.758 1.00 25.00 O ATOM 1221 CB PRO A 72 20.044 -0.513 14.323 1.00 25.00 C ATOM 1222 CG PRO A 72 21.474 -0.651 14.646 1.00 25.00 C ATOM 1223 CD PRO A 72 21.868 -1.953 13.998 1.00 25.00 C ATOM 0 HA PRO A 72 18.989 -1.441 12.594 1.00 25.00 H new ATOM 0 HB2 PRO A 72 19.710 0.519 14.424 1.00 25.00 H new ATOM 0 HB3 PRO A 72 19.425 -1.115 14.988 1.00 25.00 H new ATOM 0 HG2 PRO A 72 22.055 0.183 14.252 1.00 25.00 H new ATOM 0 HG3 PRO A 72 21.640 -0.675 15.723 1.00 25.00 H new ATOM 0 HD2 PRO A 72 22.929 -1.976 13.749 1.00 25.00 H new ATOM 0 HD3 PRO A 72 21.676 -2.804 14.651 1.00 25.00 H new ATOM 1231 N GLU A 73 21.206 0.314 11.266 1.00 25.00 N ATOM 1232 CA GLU A 73 21.435 1.414 10.336 1.00 25.00 C ATOM 1233 C GLU A 73 20.714 1.173 9.011 1.00 25.00 C ATOM 1234 O GLU A 73 20.397 2.115 8.288 1.00 25.00 O ATOM 1235 CB GLU A 73 22.938 1.585 10.104 1.00 25.00 C ATOM 1236 CG GLU A 73 23.697 1.892 11.401 1.00 25.00 C ATOM 1237 CD GLU A 73 25.177 2.175 11.180 1.00 25.00 C ATOM 1238 OE1 GLU A 73 25.627 2.201 10.016 1.00 25.00 O ATOM 1239 OE2 GLU A 73 25.887 2.381 12.188 1.00 25.00 O ATOM 0 H GLU A 73 21.997 -0.322 11.370 1.00 25.00 H new ATOM 0 HA GLU A 73 21.032 2.328 10.772 1.00 25.00 H new ATOM 0 HB2 GLU A 73 23.340 0.676 9.657 1.00 25.00 H new ATOM 0 HB3 GLU A 73 23.103 2.391 9.389 1.00 25.00 H new ATOM 0 HG2 GLU A 73 23.238 2.753 11.887 1.00 25.00 H new ATOM 0 HG3 GLU A 73 23.593 1.048 12.083 1.00 25.00 H new ATOM 1246 N LYS A 74 20.420 -0.088 8.708 1.00 25.00 N ATOM 1247 CA LYS A 74 19.703 -0.424 7.473 1.00 25.00 C ATOM 1248 C LYS A 74 18.221 -0.662 7.717 1.00 25.00 C ATOM 1249 O LYS A 74 17.382 -0.205 6.945 1.00 25.00 O ATOM 1250 CB LYS A 74 20.327 -1.657 6.820 1.00 25.00 C ATOM 1251 CG LYS A 74 20.580 -1.511 5.312 1.00 25.00 C ATOM 1252 CD LYS A 74 19.280 -1.362 4.519 1.00 25.00 C ATOM 1253 CE LYS A 74 19.544 -1.299 3.022 1.00 25.00 C ATOM 1254 NZ LYS A 74 18.250 -1.172 2.263 1.00 25.00 N ATOM 0 H LYS A 74 20.662 -0.889 9.291 1.00 25.00 H new ATOM 0 HA LYS A 74 19.793 0.431 6.803 1.00 25.00 H new ATOM 0 HB2 LYS A 74 21.272 -1.878 7.316 1.00 25.00 H new ATOM 0 HB3 LYS A 74 19.673 -2.513 6.986 1.00 25.00 H new ATOM 0 HG2 LYS A 74 21.214 -0.642 5.134 1.00 25.00 H new ATOM 0 HG3 LYS A 74 21.126 -2.383 4.951 1.00 25.00 H new ATOM 0 HD2 LYS A 74 18.621 -2.202 4.738 1.00 25.00 H new ATOM 0 HD3 LYS A 74 18.761 -0.458 4.836 1.00 25.00 H new ATOM 0 HE2 LYS A 74 20.190 -0.450 2.796 1.00 25.00 H new ATOM 0 HE3 LYS A 74 20.073 -2.196 2.702 1.00 25.00 H new ATOM 0 HZ1 LYS A 74 18.374 -0.505 1.474 1.00 25.00 H new ATOM 0 HZ2 LYS A 74 17.974 -2.103 1.890 1.00 25.00 H new ATOM 0 HZ3 LYS A 74 17.507 -0.820 2.900 1.00 25.00 H new ATOM 1268 N VAL A 75 17.892 -1.367 8.789 1.00 25.00 N ATOM 1269 CA VAL A 75 16.492 -1.608 9.137 1.00 25.00 C ATOM 1270 C VAL A 75 16.323 -1.159 10.579 1.00 25.00 C ATOM 1271 O VAL A 75 17.098 -1.552 11.441 1.00 25.00 O ATOM 1272 CB VAL A 75 16.146 -3.126 9.006 1.00 25.00 C ATOM 1273 CG1 VAL A 75 14.694 -3.418 9.438 1.00 25.00 C ATOM 1274 CG2 VAL A 75 16.358 -3.593 7.563 1.00 25.00 C ATOM 0 H VAL A 75 18.567 -1.781 9.432 1.00 25.00 H new ATOM 0 HA VAL A 75 15.826 -1.063 8.468 1.00 25.00 H new ATOM 0 HB VAL A 75 16.814 -3.674 9.670 1.00 25.00 H new ATOM 0 HG11 VAL A 75 14.490 -4.484 9.333 1.00 25.00 H new ATOM 0 HG12 VAL A 75 14.558 -3.123 10.479 1.00 25.00 H new ATOM 0 HG13 VAL A 75 14.006 -2.854 8.808 1.00 25.00 H new ATOM 0 HG21 VAL A 75 16.114 -4.652 7.484 1.00 25.00 H new ATOM 0 HG22 VAL A 75 15.712 -3.021 6.897 1.00 25.00 H new ATOM 0 HG23 VAL A 75 17.399 -3.439 7.280 1.00 25.00 H new ATOM 1284 N PRO A 76 15.293 -0.348 10.877 1.00 25.00 N ATOM 1285 CA PRO A 76 15.227 0.056 12.282 1.00 25.00 C ATOM 1286 C PRO A 76 14.702 -1.048 13.188 1.00 25.00 C ATOM 1287 O PRO A 76 13.839 -1.827 12.798 1.00 25.00 O ATOM 1288 CB PRO A 76 14.259 1.234 12.250 1.00 25.00 C ATOM 1289 CG PRO A 76 13.351 0.936 11.115 1.00 25.00 C ATOM 1290 CD PRO A 76 14.228 0.283 10.073 1.00 25.00 C ATOM 0 HA PRO A 76 16.210 0.297 12.687 1.00 25.00 H new ATOM 0 HB2 PRO A 76 13.708 1.321 13.187 1.00 25.00 H new ATOM 0 HB3 PRO A 76 14.785 2.177 12.101 1.00 25.00 H new ATOM 0 HG2 PRO A 76 12.541 0.273 11.421 1.00 25.00 H new ATOM 0 HG3 PRO A 76 12.890 1.845 10.729 1.00 25.00 H new ATOM 0 HD2 PRO A 76 13.677 -0.452 9.486 1.00 25.00 H new ATOM 0 HD3 PRO A 76 14.632 1.013 9.371 1.00 25.00 H new ATOM 1298 N VAL A 77 15.145 -1.057 14.436 1.00 25.00 N ATOM 1299 CA VAL A 77 14.638 -2.028 15.410 1.00 25.00 C ATOM 1300 C VAL A 77 13.153 -1.789 15.693 1.00 25.00 C ATOM 1301 O VAL A 77 12.433 -2.687 16.120 1.00 25.00 O ATOM 1302 CB VAL A 77 15.441 -1.976 16.745 1.00 25.00 C ATOM 1303 CG1 VAL A 77 16.883 -2.422 16.514 1.00 25.00 C ATOM 1304 CG2 VAL A 77 15.430 -0.558 17.360 1.00 25.00 C ATOM 0 H VAL A 77 15.847 -0.413 14.801 1.00 25.00 H new ATOM 0 HA VAL A 77 14.765 -3.018 14.972 1.00 25.00 H new ATOM 0 HB VAL A 77 14.956 -2.656 17.445 1.00 25.00 H new ATOM 0 HG11 VAL A 77 17.432 -2.381 17.455 1.00 25.00 H new ATOM 0 HG12 VAL A 77 16.891 -3.443 16.134 1.00 25.00 H new ATOM 0 HG13 VAL A 77 17.357 -1.761 15.788 1.00 25.00 H new ATOM 0 HG21 VAL A 77 15.999 -0.560 18.289 1.00 25.00 H new ATOM 0 HG22 VAL A 77 15.880 0.146 16.660 1.00 25.00 H new ATOM 0 HG23 VAL A 77 14.402 -0.258 17.565 1.00 25.00 H new ATOM 1314 N THR A 78 12.671 -0.586 15.404 1.00 25.00 N ATOM 1315 CA THR A 78 11.262 -0.280 15.621 1.00 25.00 C ATOM 1316 C THR A 78 10.388 -0.939 14.566 1.00 25.00 C ATOM 1317 O THR A 78 9.201 -1.112 14.786 1.00 25.00 O ATOM 1318 CB THR A 78 10.993 1.245 15.668 1.00 25.00 C ATOM 1319 OG1 THR A 78 9.794 1.493 16.406 1.00 25.00 O ATOM 1320 CG2 THR A 78 10.838 1.855 14.298 1.00 25.00 C ATOM 0 H THR A 78 13.224 0.182 15.025 1.00 25.00 H new ATOM 0 HA THR A 78 11.000 -0.690 16.597 1.00 25.00 H new ATOM 0 HB THR A 78 11.859 1.703 16.145 1.00 25.00 H new ATOM 0 HG1 THR A 78 9.025 1.464 15.800 1.00 25.00 H new ATOM 0 HG21 THR A 78 10.651 2.925 14.395 1.00 25.00 H new ATOM 0 HG22 THR A 78 11.751 1.696 13.724 1.00 25.00 H new ATOM 0 HG23 THR A 78 9.999 1.386 13.783 1.00 25.00 H new ATOM 1328 N ALA A 79 10.963 -1.361 13.445 1.00 25.00 N ATOM 1329 CA ALA A 79 10.173 -2.041 12.422 1.00 25.00 C ATOM 1330 C ALA A 79 9.551 -3.308 13.014 1.00 25.00 C ATOM 1331 O ALA A 79 8.408 -3.634 12.729 1.00 25.00 O ATOM 1332 CB ALA A 79 11.040 -2.379 11.216 1.00 25.00 C ATOM 0 H ALA A 79 11.952 -1.248 13.223 1.00 25.00 H new ATOM 0 HA ALA A 79 9.375 -1.379 12.087 1.00 25.00 H new ATOM 0 HB1 ALA A 79 10.435 -2.885 10.464 1.00 25.00 H new ATOM 0 HB2 ALA A 79 11.451 -1.461 10.794 1.00 25.00 H new ATOM 0 HB3 ALA A 79 11.856 -3.032 11.526 1.00 25.00 H new ATOM 1338 N PHE A 80 10.290 -3.985 13.882 1.00 25.00 N ATOM 1339 CA PHE A 80 9.792 -5.191 14.543 1.00 25.00 C ATOM 1340 C PHE A 80 8.708 -4.860 15.561 1.00 25.00 C ATOM 1341 O PHE A 80 7.804 -5.649 15.803 1.00 25.00 O ATOM 1342 CB PHE A 80 10.940 -5.899 15.260 1.00 25.00 C ATOM 1343 CG PHE A 80 12.051 -6.312 14.344 1.00 25.00 C ATOM 1344 CD1 PHE A 80 12.003 -7.552 13.683 1.00 25.00 C ATOM 1345 CD2 PHE A 80 13.158 -5.466 14.133 1.00 25.00 C ATOM 1346 CE1 PHE A 80 13.041 -7.946 12.822 1.00 25.00 C ATOM 1347 CE2 PHE A 80 14.200 -5.845 13.263 1.00 25.00 C ATOM 1348 CZ PHE A 80 14.142 -7.088 12.606 1.00 25.00 C ATOM 0 H PHE A 80 11.239 -3.722 14.148 1.00 25.00 H new ATOM 0 HA PHE A 80 9.366 -5.838 13.776 1.00 25.00 H new ATOM 0 HB2 PHE A 80 11.340 -5.238 16.029 1.00 25.00 H new ATOM 0 HB3 PHE A 80 10.552 -6.781 15.768 1.00 25.00 H new ATOM 0 HD1 PHE A 80 11.160 -8.208 13.839 1.00 25.00 H new ATOM 0 HD2 PHE A 80 13.209 -4.516 14.644 1.00 25.00 H new ATOM 0 HE1 PHE A 80 12.997 -8.904 12.326 1.00 25.00 H new ATOM 0 HE2 PHE A 80 15.039 -5.185 13.101 1.00 25.00 H new ATOM 0 HZ PHE A 80 14.937 -7.385 11.938 1.00 25.00 H new ATOM 1358 N SER A 81 8.799 -3.684 16.158 1.00 25.00 N ATOM 1359 CA SER A 81 7.825 -3.252 17.163 1.00 25.00 C ATOM 1360 C SER A 81 6.521 -2.897 16.460 1.00 25.00 C ATOM 1361 O SER A 81 5.441 -3.315 16.868 1.00 25.00 O ATOM 1362 CB SER A 81 8.351 -2.041 17.936 1.00 25.00 C ATOM 1363 OG SER A 81 7.452 -1.670 18.963 1.00 25.00 O ATOM 0 H SER A 81 9.537 -3.005 15.968 1.00 25.00 H new ATOM 0 HA SER A 81 7.656 -4.060 17.875 1.00 25.00 H new ATOM 0 HB2 SER A 81 9.325 -2.274 18.366 1.00 25.00 H new ATOM 0 HB3 SER A 81 8.496 -1.204 17.254 1.00 25.00 H new ATOM 0 HG SER A 81 7.808 -0.895 19.445 1.00 25.00 H new ATOM 1369 N TYR A 82 6.644 -2.190 15.347 1.00 25.00 N ATOM 1370 CA TYR A 82 5.494 -1.854 14.521 1.00 25.00 C ATOM 1371 C TYR A 82 4.863 -3.128 14.004 1.00 25.00 C ATOM 1372 O TYR A 82 3.653 -3.292 14.045 1.00 25.00 O ATOM 1373 CB TYR A 82 5.927 -0.986 13.343 1.00 25.00 C ATOM 1374 CG TYR A 82 5.808 0.481 13.645 1.00 25.00 C ATOM 1375 CD1 TYR A 82 4.599 1.151 13.403 1.00 25.00 C ATOM 1376 CD2 TYR A 82 6.886 1.207 14.195 1.00 25.00 C ATOM 1377 CE1 TYR A 82 4.460 2.535 13.705 1.00 25.00 C ATOM 1378 CE2 TYR A 82 6.752 2.583 14.497 1.00 25.00 C ATOM 1379 CZ TYR A 82 5.544 3.232 14.250 1.00 25.00 C ATOM 1380 OH TYR A 82 5.429 4.559 14.560 1.00 25.00 O ATOM 0 H TYR A 82 7.533 -1.836 14.994 1.00 25.00 H new ATOM 0 HA TYR A 82 4.772 -1.300 15.121 1.00 25.00 H new ATOM 0 HB2 TYR A 82 6.959 -1.219 13.082 1.00 25.00 H new ATOM 0 HB3 TYR A 82 5.316 -1.227 12.473 1.00 25.00 H new ATOM 0 HD1 TYR A 82 3.764 0.610 12.983 1.00 25.00 H new ATOM 0 HD2 TYR A 82 7.824 0.707 14.388 1.00 25.00 H new ATOM 0 HE1 TYR A 82 3.526 3.043 13.515 1.00 25.00 H new ATOM 0 HE2 TYR A 82 7.584 3.129 14.918 1.00 25.00 H new ATOM 0 HH TYR A 82 6.277 4.883 14.930 1.00 25.00 H new ATOM 1390 N TRP A 83 5.696 -4.050 13.555 1.00 25.00 N ATOM 1391 CA TRP A 83 5.222 -5.323 13.045 1.00 25.00 C ATOM 1392 C TRP A 83 4.435 -6.096 14.106 1.00 25.00 C ATOM 1393 O TRP A 83 3.409 -6.718 13.810 1.00 25.00 O ATOM 1394 CB TRP A 83 6.427 -6.155 12.596 1.00 25.00 C ATOM 1395 CG TRP A 83 6.068 -7.534 12.173 1.00 25.00 C ATOM 1396 CD1 TRP A 83 5.675 -7.948 10.944 1.00 25.00 C ATOM 1397 CD2 TRP A 83 6.057 -8.719 12.995 1.00 25.00 C ATOM 1398 NE1 TRP A 83 5.408 -9.282 10.927 1.00 25.00 N ATOM 1399 CE2 TRP A 83 5.623 -9.795 12.173 1.00 25.00 C ATOM 1400 CE3 TRP A 83 6.367 -8.980 14.347 1.00 25.00 C ATOM 1401 CZ2 TRP A 83 5.479 -11.104 12.661 1.00 25.00 C ATOM 1402 CZ3 TRP A 83 6.240 -10.301 14.839 1.00 25.00 C ATOM 1403 CH2 TRP A 83 5.793 -11.350 13.985 1.00 25.00 C ATOM 0 H TRP A 83 6.710 -3.939 13.534 1.00 25.00 H new ATOM 0 HA TRP A 83 4.553 -5.132 12.206 1.00 25.00 H new ATOM 0 HB2 TRP A 83 6.922 -5.647 11.769 1.00 25.00 H new ATOM 0 HB3 TRP A 83 7.146 -6.209 13.413 1.00 25.00 H new ATOM 0 HD1 TRP A 83 5.585 -7.300 10.085 1.00 25.00 H new ATOM 0 HE1 TRP A 83 5.097 -9.813 10.114 1.00 25.00 H new ATOM 0 HE3 TRP A 83 6.696 -8.183 14.997 1.00 25.00 H new ATOM 0 HZ2 TRP A 83 5.132 -11.899 12.018 1.00 25.00 H new ATOM 0 HZ3 TRP A 83 6.484 -10.515 15.869 1.00 25.00 H new ATOM 0 HH2 TRP A 83 5.698 -12.352 14.377 1.00 25.00 H new ATOM 1414 N ASN A 84 4.905 -6.034 15.347 1.00 25.00 N ATOM 1415 CA ASN A 84 4.261 -6.732 16.463 1.00 25.00 C ATOM 1416 C ASN A 84 2.877 -6.165 16.766 1.00 25.00 C ATOM 1417 O ASN A 84 2.014 -6.880 17.270 1.00 25.00 O ATOM 1418 CB ASN A 84 5.124 -6.637 17.727 1.00 25.00 C ATOM 1419 CG ASN A 84 5.971 -7.865 17.945 1.00 25.00 C ATOM 1420 OD1 ASN A 84 5.480 -8.900 18.373 1.00 25.00 O ATOM 1421 ND2 ASN A 84 7.235 -7.764 17.659 1.00 25.00 N ATOM 0 H ASN A 84 5.736 -5.504 15.611 1.00 25.00 H new ATOM 0 HA ASN A 84 4.152 -7.774 16.164 1.00 25.00 H new ATOM 0 HB2 ASN A 84 5.770 -5.762 17.656 1.00 25.00 H new ATOM 0 HB3 ASN A 84 4.479 -6.487 18.593 1.00 25.00 H new ATOM 0 HD21 ASN A 84 7.853 -8.565 17.790 1.00 25.00 H new ATOM 0 HD22 ASN A 84 7.609 -6.884 17.304 1.00 25.00 H new ATOM 1428 N LEU A 85 2.655 -4.900 16.435 1.00 25.00 N ATOM 1429 CA LEU A 85 1.363 -4.259 16.674 1.00 25.00 C ATOM 1430 C LEU A 85 0.328 -4.919 15.772 1.00 25.00 C ATOM 1431 O LEU A 85 -0.761 -5.282 16.195 1.00 25.00 O ATOM 1432 CB LEU A 85 1.486 -2.754 16.368 1.00 25.00 C ATOM 1433 CG LEU A 85 0.383 -1.782 16.819 1.00 25.00 C ATOM 1434 CD1 LEU A 85 0.914 -0.353 16.669 1.00 25.00 C ATOM 1435 CD2 LEU A 85 -0.918 -1.912 16.023 1.00 25.00 C ATOM 0 H LEU A 85 3.351 -4.295 16.000 1.00 25.00 H new ATOM 0 HA LEU A 85 1.054 -4.373 17.713 1.00 25.00 H new ATOM 0 HB2 LEU A 85 2.421 -2.409 16.809 1.00 25.00 H new ATOM 0 HB3 LEU A 85 1.586 -2.651 15.288 1.00 25.00 H new ATOM 0 HG LEU A 85 0.140 -2.027 17.853 1.00 25.00 H new ATOM 0 HD11 LEU A 85 0.147 0.355 16.984 1.00 25.00 H new ATOM 0 HD12 LEU A 85 1.801 -0.227 17.290 1.00 25.00 H new ATOM 0 HD13 LEU A 85 1.172 -0.168 15.626 1.00 25.00 H new ATOM 0 HD21 LEU A 85 -1.648 -1.195 16.399 1.00 25.00 H new ATOM 0 HD22 LEU A 85 -0.722 -1.712 14.970 1.00 25.00 H new ATOM 0 HD23 LEU A 85 -1.312 -2.922 16.133 1.00 25.00 H new ATOM 1447 N ILE A 86 0.689 -5.100 14.514 1.00 25.00 N ATOM 1448 CA ILE A 86 -0.227 -5.694 13.546 1.00 25.00 C ATOM 1449 C ILE A 86 -0.331 -7.200 13.770 1.00 25.00 C ATOM 1450 O ILE A 86 -1.380 -7.806 13.552 1.00 25.00 O ATOM 1451 CB ILE A 86 0.222 -5.405 12.112 1.00 25.00 C ATOM 1452 CG1 ILE A 86 0.281 -3.888 11.892 1.00 25.00 C ATOM 1453 CG2 ILE A 86 -0.748 -6.024 11.100 1.00 25.00 C ATOM 1454 CD1 ILE A 86 1.630 -3.413 11.452 1.00 25.00 C ATOM 0 H ILE A 86 1.602 -4.848 14.137 1.00 25.00 H new ATOM 0 HA ILE A 86 -1.209 -5.244 13.692 1.00 25.00 H new ATOM 0 HB ILE A 86 1.208 -5.845 11.964 1.00 25.00 H new ATOM 0 HG12 ILE A 86 -0.459 -3.606 11.143 1.00 25.00 H new ATOM 0 HG13 ILE A 86 0.008 -3.381 12.818 1.00 25.00 H new ATOM 0 HG21 ILE A 86 -0.407 -5.805 10.088 1.00 25.00 H new ATOM 0 HG22 ILE A 86 -0.785 -7.104 11.245 1.00 25.00 H new ATOM 0 HG23 ILE A 86 -1.743 -5.604 11.246 1.00 25.00 H new ATOM 0 HD11 ILE A 86 1.608 -2.332 11.313 1.00 25.00 H new ATOM 0 HD12 ILE A 86 2.370 -3.666 12.211 1.00 25.00 H new ATOM 0 HD13 ILE A 86 1.896 -3.894 10.511 1.00 25.00 H new ATOM 1466 N LYS A 87 0.748 -7.795 14.260 1.00 25.00 N ATOM 1467 CA LYS A 87 0.767 -9.219 14.567 1.00 25.00 C ATOM 1468 C LYS A 87 -0.386 -9.554 15.491 1.00 25.00 C ATOM 1469 O LYS A 87 -1.157 -10.445 15.199 1.00 25.00 O ATOM 1470 CB LYS A 87 2.106 -9.578 15.228 1.00 25.00 C ATOM 1471 CG LYS A 87 2.200 -10.970 15.829 1.00 25.00 C ATOM 1472 CD LYS A 87 3.435 -11.064 16.725 1.00 25.00 C ATOM 1473 CE LYS A 87 3.070 -11.390 18.179 1.00 25.00 C ATOM 1474 NZ LYS A 87 4.293 -11.382 19.061 1.00 25.00 N ATOM 0 H LYS A 87 1.625 -7.312 14.454 1.00 25.00 H new ATOM 0 HA LYS A 87 0.659 -9.797 13.649 1.00 25.00 H new ATOM 0 HB2 LYS A 87 2.896 -9.471 14.484 1.00 25.00 H new ATOM 0 HB3 LYS A 87 2.307 -8.850 16.014 1.00 25.00 H new ATOM 0 HG2 LYS A 87 1.302 -11.188 16.407 1.00 25.00 H new ATOM 0 HG3 LYS A 87 2.257 -11.716 15.036 1.00 25.00 H new ATOM 0 HD2 LYS A 87 4.105 -11.832 16.339 1.00 25.00 H new ATOM 0 HD3 LYS A 87 3.979 -10.120 16.691 1.00 25.00 H new ATOM 0 HE2 LYS A 87 2.347 -10.662 18.548 1.00 25.00 H new ATOM 0 HE3 LYS A 87 2.590 -12.368 18.226 1.00 25.00 H new ATOM 0 HZ1 LYS A 87 4.002 -11.436 20.058 1.00 25.00 H new ATOM 0 HZ2 LYS A 87 4.893 -12.200 18.830 1.00 25.00 H new ATOM 0 HZ3 LYS A 87 4.829 -10.504 18.904 1.00 25.00 H new ATOM 1488 N GLU A 88 -0.525 -8.846 16.597 1.00 25.00 N ATOM 1489 CA GLU A 88 -1.584 -9.180 17.543 1.00 25.00 C ATOM 1490 C GLU A 88 -2.968 -8.808 17.003 1.00 25.00 C ATOM 1491 O GLU A 88 -3.954 -9.455 17.342 1.00 25.00 O ATOM 1492 CB GLU A 88 -1.311 -8.551 18.914 1.00 25.00 C ATOM 1493 CG GLU A 88 -1.147 -7.045 18.910 1.00 25.00 C ATOM 1494 CD GLU A 88 -0.729 -6.507 20.269 1.00 25.00 C ATOM 1495 OE1 GLU A 88 -0.828 -7.251 21.266 1.00 25.00 O ATOM 1496 OE2 GLU A 88 -0.382 -5.308 20.355 1.00 25.00 O ATOM 0 H GLU A 88 0.063 -8.056 16.862 1.00 25.00 H new ATOM 0 HA GLU A 88 -1.584 -10.262 17.674 1.00 25.00 H new ATOM 0 HB2 GLU A 88 -2.130 -8.810 19.585 1.00 25.00 H new ATOM 0 HB3 GLU A 88 -0.407 -8.998 19.328 1.00 25.00 H new ATOM 0 HG2 GLU A 88 -0.402 -6.765 18.166 1.00 25.00 H new ATOM 0 HG3 GLU A 88 -2.086 -6.580 18.611 1.00 25.00 H new ATOM 1503 N LEU A 89 -3.039 -7.832 16.105 1.00 25.00 N ATOM 1504 CA LEU A 89 -4.317 -7.474 15.483 1.00 25.00 C ATOM 1505 C LEU A 89 -4.852 -8.602 14.601 1.00 25.00 C ATOM 1506 O LEU A 89 -6.042 -8.900 14.637 1.00 25.00 O ATOM 1507 CB LEU A 89 -4.190 -6.191 14.650 1.00 25.00 C ATOM 1508 CG LEU A 89 -4.062 -4.865 15.420 1.00 25.00 C ATOM 1509 CD1 LEU A 89 -3.942 -3.716 14.417 1.00 25.00 C ATOM 1510 CD2 LEU A 89 -5.255 -4.614 16.343 1.00 25.00 C ATOM 0 H LEU A 89 -2.241 -7.279 15.792 1.00 25.00 H new ATOM 0 HA LEU A 89 -5.023 -7.303 16.295 1.00 25.00 H new ATOM 0 HB2 LEU A 89 -3.318 -6.292 14.004 1.00 25.00 H new ATOM 0 HB3 LEU A 89 -5.062 -6.122 14.000 1.00 25.00 H new ATOM 0 HG LEU A 89 -3.172 -4.926 16.046 1.00 25.00 H new ATOM 0 HD11 LEU A 89 -3.851 -2.772 14.954 1.00 25.00 H new ATOM 0 HD12 LEU A 89 -3.059 -3.866 13.795 1.00 25.00 H new ATOM 0 HD13 LEU A 89 -4.830 -3.690 13.786 1.00 25.00 H new ATOM 0 HD21 LEU A 89 -5.119 -3.667 16.864 1.00 25.00 H new ATOM 0 HD22 LEU A 89 -6.170 -4.575 15.752 1.00 25.00 H new ATOM 0 HD23 LEU A 89 -5.328 -5.422 17.071 1.00 25.00 H new ATOM 1522 N ILE A 90 -3.989 -9.239 13.819 1.00 25.00 N ATOM 1523 CA ILE A 90 -4.432 -10.349 12.966 1.00 25.00 C ATOM 1524 C ILE A 90 -4.583 -11.616 13.821 1.00 25.00 C ATOM 1525 O ILE A 90 -5.532 -12.378 13.654 1.00 25.00 O ATOM 1526 CB ILE A 90 -3.435 -10.667 11.799 1.00 25.00 C ATOM 1527 CG1 ILE A 90 -3.114 -9.421 10.953 1.00 25.00 C ATOM 1528 CG2 ILE A 90 -4.029 -11.760 10.865 1.00 25.00 C ATOM 1529 CD1 ILE A 90 -1.877 -9.626 10.036 1.00 25.00 C ATOM 0 H ILE A 90 -2.996 -9.016 13.753 1.00 25.00 H new ATOM 0 HA ILE A 90 -5.379 -10.042 12.522 1.00 25.00 H new ATOM 0 HB ILE A 90 -2.513 -11.020 12.261 1.00 25.00 H new ATOM 0 HG12 ILE A 90 -3.979 -9.170 10.339 1.00 25.00 H new ATOM 0 HG13 ILE A 90 -2.935 -8.573 11.614 1.00 25.00 H new ATOM 0 HG21 ILE A 90 -3.326 -11.971 10.059 1.00 25.00 H new ATOM 0 HG22 ILE A 90 -4.208 -12.670 11.438 1.00 25.00 H new ATOM 0 HG23 ILE A 90 -4.970 -11.406 10.443 1.00 25.00 H new ATOM 0 HD11 ILE A 90 -1.695 -8.717 9.462 1.00 25.00 H new ATOM 0 HD12 ILE A 90 -1.003 -9.849 10.648 1.00 25.00 H new ATOM 0 HD13 ILE A 90 -2.063 -10.455 9.354 1.00 25.00 H new ATOM 1541 N ASP A 91 -3.650 -11.837 14.740 1.00 25.00 N ATOM 1542 CA ASP A 91 -3.648 -13.049 15.575 1.00 25.00 C ATOM 1543 C ASP A 91 -4.935 -13.134 16.391 1.00 25.00 C ATOM 1544 O ASP A 91 -5.490 -14.209 16.581 1.00 25.00 O ATOM 1545 CB ASP A 91 -2.417 -13.042 16.505 1.00 25.00 C ATOM 1546 CG ASP A 91 -2.084 -14.416 17.075 1.00 25.00 C ATOM 1547 OD1 ASP A 91 -2.870 -14.953 17.878 1.00 25.00 O ATOM 1548 OD2 ASP A 91 -0.971 -14.926 16.764 1.00 25.00 O ATOM 0 H ASP A 91 -2.880 -11.196 14.932 1.00 25.00 H new ATOM 0 HA ASP A 91 -3.595 -13.925 14.928 1.00 25.00 H new ATOM 0 HB2 ASP A 91 -1.555 -12.667 15.953 1.00 25.00 H new ATOM 0 HB3 ASP A 91 -2.595 -12.349 17.327 1.00 25.00 H new ATOM 1553 N LYS A 92 -5.442 -11.987 16.824 1.00 25.00 N ATOM 1554 CA LYS A 92 -6.685 -11.932 17.593 1.00 25.00 C ATOM 1555 C LYS A 92 -7.797 -11.221 16.826 1.00 25.00 C ATOM 1556 O LYS A 92 -8.665 -10.586 17.428 1.00 25.00 O ATOM 1557 CB LYS A 92 -6.427 -11.265 18.951 1.00 25.00 C ATOM 1558 CG LYS A 92 -5.506 -12.086 19.860 1.00 25.00 C ATOM 1559 CD LYS A 92 -6.247 -13.276 20.492 1.00 25.00 C ATOM 1560 CE LYS A 92 -5.375 -14.532 20.544 1.00 25.00 C ATOM 1561 NZ LYS A 92 -5.420 -15.301 19.252 1.00 25.00 N ATOM 0 H LYS A 92 -5.012 -11.077 16.657 1.00 25.00 H new ATOM 0 HA LYS A 92 -7.027 -12.953 17.763 1.00 25.00 H new ATOM 0 HB2 LYS A 92 -5.984 -10.282 18.788 1.00 25.00 H new ATOM 0 HB3 LYS A 92 -7.379 -11.106 19.457 1.00 25.00 H new ATOM 0 HG2 LYS A 92 -4.656 -12.451 19.283 1.00 25.00 H new ATOM 0 HG3 LYS A 92 -5.106 -11.446 20.647 1.00 25.00 H new ATOM 0 HD2 LYS A 92 -6.563 -13.012 21.501 1.00 25.00 H new ATOM 0 HD3 LYS A 92 -7.151 -13.486 19.920 1.00 25.00 H new ATOM 0 HE2 LYS A 92 -4.345 -14.250 20.763 1.00 25.00 H new ATOM 0 HE3 LYS A 92 -5.710 -15.173 21.360 1.00 25.00 H new ATOM 0 HZ1 LYS A 92 -4.728 -16.076 19.285 1.00 25.00 H new ATOM 0 HZ2 LYS A 92 -6.373 -15.694 19.115 1.00 25.00 H new ATOM 0 HZ3 LYS A 92 -5.190 -14.665 18.462 1.00 25.00 H new ATOM 1575 N LYS A 93 -7.816 -11.377 15.505 1.00 25.00 N ATOM 1576 CA LYS A 93 -8.893 -10.809 14.677 1.00 25.00 C ATOM 1577 C LYS A 93 -10.231 -11.436 15.070 1.00 25.00 C ATOM 1578 O LYS A 93 -11.285 -10.850 14.889 1.00 25.00 O ATOM 1579 CB LYS A 93 -8.600 -11.038 13.183 1.00 25.00 C ATOM 1580 CG LYS A 93 -8.692 -12.513 12.722 1.00 25.00 C ATOM 1581 CD LYS A 93 -7.986 -12.755 11.378 1.00 25.00 C ATOM 1582 CE LYS A 93 -8.689 -12.100 10.191 1.00 25.00 C ATOM 1583 NZ LYS A 93 -9.935 -12.838 9.758 1.00 25.00 N ATOM 0 H LYS A 93 -7.105 -11.888 14.981 1.00 25.00 H new ATOM 0 HA LYS A 93 -8.946 -9.734 14.849 1.00 25.00 H new ATOM 0 HB2 LYS A 93 -9.299 -10.444 12.595 1.00 25.00 H new ATOM 0 HB3 LYS A 93 -7.600 -10.665 12.962 1.00 25.00 H new ATOM 0 HG2 LYS A 93 -8.249 -13.156 13.482 1.00 25.00 H new ATOM 0 HG3 LYS A 93 -9.740 -12.798 12.635 1.00 25.00 H new ATOM 0 HD2 LYS A 93 -6.966 -12.376 11.440 1.00 25.00 H new ATOM 0 HD3 LYS A 93 -7.917 -13.828 11.202 1.00 25.00 H new ATOM 0 HE2 LYS A 93 -8.954 -11.076 10.453 1.00 25.00 H new ATOM 0 HE3 LYS A 93 -7.996 -12.045 9.351 1.00 25.00 H new ATOM 0 HZ1 LYS A 93 -10.367 -12.346 8.950 1.00 25.00 H new ATOM 0 HZ2 LYS A 93 -9.685 -13.808 9.479 1.00 25.00 H new ATOM 0 HZ3 LYS A 93 -10.612 -12.869 10.547 1.00 25.00 H new ATOM 1597 N GLU A 94 -10.142 -12.621 15.654 1.00 25.00 N ATOM 1598 CA GLU A 94 -11.289 -13.398 16.125 1.00 25.00 C ATOM 1599 C GLU A 94 -12.118 -12.700 17.214 1.00 25.00 C ATOM 1600 O GLU A 94 -13.320 -12.908 17.295 1.00 25.00 O ATOM 1601 CB GLU A 94 -10.764 -14.749 16.644 1.00 25.00 C ATOM 1602 CG GLU A 94 -9.682 -14.616 17.741 1.00 25.00 C ATOM 1603 CD GLU A 94 -9.005 -15.931 18.095 1.00 25.00 C ATOM 1604 OE1 GLU A 94 -9.242 -16.950 17.422 1.00 25.00 O ATOM 1605 OE2 GLU A 94 -8.160 -15.912 19.020 1.00 25.00 O ATOM 0 H GLU A 94 -9.249 -13.085 15.820 1.00 25.00 H new ATOM 0 HA GLU A 94 -11.970 -13.523 15.283 1.00 25.00 H new ATOM 0 HB2 GLU A 94 -11.600 -15.326 17.039 1.00 25.00 H new ATOM 0 HB3 GLU A 94 -10.353 -15.315 15.808 1.00 25.00 H new ATOM 0 HG2 GLU A 94 -8.925 -13.906 17.408 1.00 25.00 H new ATOM 0 HG3 GLU A 94 -10.137 -14.199 18.639 1.00 25.00 H new ATOM 1612 N VAL A 95 -11.490 -11.854 18.025 1.00 25.00 N ATOM 1613 CA VAL A 95 -12.201 -11.134 19.097 1.00 25.00 C ATOM 1614 C VAL A 95 -12.132 -9.628 18.870 1.00 25.00 C ATOM 1615 O VAL A 95 -12.566 -8.839 19.700 1.00 25.00 O ATOM 1616 CB VAL A 95 -11.638 -11.491 20.510 1.00 25.00 C ATOM 1617 CG1 VAL A 95 -11.962 -12.951 20.861 1.00 25.00 C ATOM 1618 CG2 VAL A 95 -10.117 -11.262 20.581 1.00 25.00 C ATOM 0 H VAL A 95 -10.493 -11.645 17.967 1.00 25.00 H new ATOM 0 HA VAL A 95 -13.243 -11.452 19.064 1.00 25.00 H new ATOM 0 HB VAL A 95 -12.117 -10.832 21.234 1.00 25.00 H new ATOM 0 HG11 VAL A 95 -11.563 -13.185 21.848 1.00 25.00 H new ATOM 0 HG12 VAL A 95 -13.043 -13.094 20.863 1.00 25.00 H new ATOM 0 HG13 VAL A 95 -11.510 -13.612 20.121 1.00 25.00 H new ATOM 0 HG21 VAL A 95 -9.756 -11.520 21.577 1.00 25.00 H new ATOM 0 HG22 VAL A 95 -9.620 -11.890 19.841 1.00 25.00 H new ATOM 0 HG23 VAL A 95 -9.897 -10.215 20.375 1.00 25.00 H new ATOM 1628 N ASN A 96 -11.613 -9.233 17.718 1.00 25.00 N ATOM 1629 CA ASN A 96 -11.543 -7.820 17.343 1.00 25.00 C ATOM 1630 C ASN A 96 -12.213 -7.651 15.978 1.00 25.00 C ATOM 1631 O ASN A 96 -11.535 -7.506 14.960 1.00 25.00 O ATOM 1632 CB ASN A 96 -10.083 -7.361 17.269 1.00 25.00 C ATOM 1633 CG ASN A 96 -9.463 -7.173 18.626 1.00 25.00 C ATOM 1634 OD1 ASN A 96 -9.656 -6.154 19.263 1.00 25.00 O ATOM 1635 ND2 ASN A 96 -8.692 -8.129 19.057 1.00 25.00 N ATOM 0 H ASN A 96 -11.231 -9.871 17.020 1.00 25.00 H new ATOM 0 HA ASN A 96 -12.053 -7.213 18.091 1.00 25.00 H new ATOM 0 HB2 ASN A 96 -9.504 -8.095 16.708 1.00 25.00 H new ATOM 0 HB3 ASN A 96 -10.029 -6.423 16.717 1.00 25.00 H new ATOM 0 HD21 ASN A 96 -8.224 -8.039 19.959 1.00 25.00 H new ATOM 0 HD22 ASN A 96 -8.556 -8.968 18.493 1.00 25.00 H new ATOM 1642 N PRO A 97 -13.558 -7.637 15.934 1.00 25.00 N ATOM 1643 CA PRO A 97 -14.184 -7.587 14.605 1.00 25.00 C ATOM 1644 C PRO A 97 -13.990 -6.272 13.853 1.00 25.00 C ATOM 1645 O PRO A 97 -14.049 -6.241 12.627 1.00 25.00 O ATOM 1646 CB PRO A 97 -15.664 -7.838 14.917 1.00 25.00 C ATOM 1647 CG PRO A 97 -15.841 -7.320 16.299 1.00 25.00 C ATOM 1648 CD PRO A 97 -14.573 -7.731 17.002 1.00 25.00 C ATOM 0 HA PRO A 97 -13.732 -8.314 13.931 1.00 25.00 H new ATOM 0 HB2 PRO A 97 -16.313 -7.319 14.212 1.00 25.00 H new ATOM 0 HB3 PRO A 97 -15.909 -8.898 14.855 1.00 25.00 H new ATOM 0 HG2 PRO A 97 -15.970 -6.238 16.307 1.00 25.00 H new ATOM 0 HG3 PRO A 97 -16.721 -7.750 16.778 1.00 25.00 H new ATOM 0 HD2 PRO A 97 -14.342 -7.070 17.838 1.00 25.00 H new ATOM 0 HD3 PRO A 97 -14.644 -8.742 17.404 1.00 25.00 H new ATOM 1656 N GLN A 98 -13.719 -5.189 14.571 1.00 25.00 N ATOM 1657 CA GLN A 98 -13.523 -3.894 13.928 1.00 25.00 C ATOM 1658 C GLN A 98 -12.267 -3.932 13.076 1.00 25.00 C ATOM 1659 O GLN A 98 -12.232 -3.399 11.969 1.00 25.00 O ATOM 1660 CB GLN A 98 -13.401 -2.792 14.982 1.00 25.00 C ATOM 1661 CG GLN A 98 -13.749 -1.408 14.464 1.00 25.00 C ATOM 1662 CD GLN A 98 -14.009 -0.444 15.595 1.00 25.00 C ATOM 1663 OE1 GLN A 98 -13.205 -0.301 16.500 1.00 25.00 O ATOM 1664 NE2 GLN A 98 -15.146 0.201 15.566 1.00 25.00 N ATOM 0 H GLN A 98 -13.631 -5.179 15.587 1.00 25.00 H new ATOM 0 HA GLN A 98 -14.384 -3.680 13.295 1.00 25.00 H new ATOM 0 HB2 GLN A 98 -14.054 -3.031 15.821 1.00 25.00 H new ATOM 0 HB3 GLN A 98 -12.381 -2.780 15.366 1.00 25.00 H new ATOM 0 HG2 GLN A 98 -12.933 -1.034 13.846 1.00 25.00 H new ATOM 0 HG3 GLN A 98 -14.631 -1.468 13.826 1.00 25.00 H new ATOM 0 HE21 GLN A 98 -15.795 0.056 14.792 1.00 25.00 H new ATOM 0 HE22 GLN A 98 -15.384 0.849 16.317 1.00 25.00 H new ATOM 1673 N VAL A 99 -11.235 -4.586 13.590 1.00 25.00 N ATOM 1674 CA VAL A 99 -9.979 -4.673 12.864 1.00 25.00 C ATOM 1675 C VAL A 99 -10.034 -5.836 11.883 1.00 25.00 C ATOM 1676 O VAL A 99 -9.398 -5.792 10.854 1.00 25.00 O ATOM 1677 CB VAL A 99 -8.737 -4.753 13.818 1.00 25.00 C ATOM 1678 CG1 VAL A 99 -8.998 -3.907 15.092 1.00 25.00 C ATOM 1679 CG2 VAL A 99 -8.383 -6.202 14.193 1.00 25.00 C ATOM 0 H VAL A 99 -11.242 -5.058 14.494 1.00 25.00 H new ATOM 0 HA VAL A 99 -9.847 -3.751 12.298 1.00 25.00 H new ATOM 0 HB VAL A 99 -7.879 -4.347 13.282 1.00 25.00 H new ATOM 0 HG11 VAL A 99 -8.132 -3.966 15.752 1.00 25.00 H new ATOM 0 HG12 VAL A 99 -9.169 -2.868 14.810 1.00 25.00 H new ATOM 0 HG13 VAL A 99 -9.876 -4.292 15.611 1.00 25.00 H new ATOM 0 HG21 VAL A 99 -7.517 -6.205 14.855 1.00 25.00 H new ATOM 0 HG22 VAL A 99 -9.230 -6.663 14.701 1.00 25.00 H new ATOM 0 HG23 VAL A 99 -8.151 -6.766 13.289 1.00 25.00 H new ATOM 1689 N MET A 100 -10.857 -6.841 12.162 1.00 25.00 N ATOM 1690 CA MET A 100 -11.030 -7.971 11.249 1.00 25.00 C ATOM 1691 C MET A 100 -11.598 -7.496 9.919 1.00 25.00 C ATOM 1692 O MET A 100 -11.191 -7.959 8.858 1.00 25.00 O ATOM 1693 CB MET A 100 -11.974 -9.011 11.856 1.00 25.00 C ATOM 1694 CG MET A 100 -11.887 -10.368 11.188 1.00 25.00 C ATOM 1695 SD MET A 100 -13.471 -10.994 10.603 1.00 25.00 S ATOM 1696 CE MET A 100 -13.649 -10.153 9.002 1.00 25.00 C ATOM 0 H MET A 100 -11.416 -6.899 13.013 1.00 25.00 H new ATOM 0 HA MET A 100 -10.053 -8.425 11.084 1.00 25.00 H new ATOM 0 HB2 MET A 100 -11.747 -9.121 12.916 1.00 25.00 H new ATOM 0 HB3 MET A 100 -12.998 -8.645 11.786 1.00 25.00 H new ATOM 0 HG2 MET A 100 -11.199 -10.304 10.345 1.00 25.00 H new ATOM 0 HG3 MET A 100 -11.462 -11.083 11.893 1.00 25.00 H new ATOM 0 HE1 MET A 100 -14.468 -10.605 8.443 1.00 25.00 H new ATOM 0 HE2 MET A 100 -13.862 -9.097 9.167 1.00 25.00 H new ATOM 0 HE3 MET A 100 -12.724 -10.252 8.434 1.00 25.00 H new ATOM 1706 N ALA A 101 -12.507 -6.533 9.977 1.00 25.00 N ATOM 1707 CA ALA A 101 -13.075 -5.953 8.767 1.00 25.00 C ATOM 1708 C ALA A 101 -11.983 -5.243 7.955 1.00 25.00 C ATOM 1709 O ALA A 101 -12.025 -5.223 6.734 1.00 25.00 O ATOM 1710 CB ALA A 101 -14.182 -4.972 9.141 1.00 25.00 C ATOM 0 H ALA A 101 -12.866 -6.137 10.846 1.00 25.00 H new ATOM 0 HA ALA A 101 -13.497 -6.748 8.153 1.00 25.00 H new ATOM 0 HB1 ALA A 101 -14.606 -4.539 8.235 1.00 25.00 H new ATOM 0 HB2 ALA A 101 -14.963 -5.497 9.692 1.00 25.00 H new ATOM 0 HB3 ALA A 101 -13.770 -4.178 9.764 1.00 25.00 H new ATOM 1716 N ALA A 102 -10.998 -4.683 8.644 1.00 25.00 N ATOM 1717 CA ALA A 102 -9.901 -3.996 7.983 1.00 25.00 C ATOM 1718 C ALA A 102 -8.942 -5.031 7.383 1.00 25.00 C ATOM 1719 O ALA A 102 -8.364 -4.796 6.337 1.00 25.00 O ATOM 1720 CB ALA A 102 -9.171 -3.078 8.982 1.00 25.00 C ATOM 0 H ALA A 102 -10.938 -4.692 9.662 1.00 25.00 H new ATOM 0 HA ALA A 102 -10.290 -3.372 7.178 1.00 25.00 H new ATOM 0 HB1 ALA A 102 -8.351 -2.568 8.476 1.00 25.00 H new ATOM 0 HB2 ALA A 102 -9.870 -2.339 9.375 1.00 25.00 H new ATOM 0 HB3 ALA A 102 -8.775 -3.676 9.803 1.00 25.00 H new ATOM 1726 N VAL A 103 -8.810 -6.188 8.018 1.00 25.00 N ATOM 1727 CA VAL A 103 -7.973 -7.261 7.470 1.00 25.00 C ATOM 1728 C VAL A 103 -8.543 -7.681 6.124 1.00 25.00 C ATOM 1729 O VAL A 103 -7.824 -7.729 5.132 1.00 25.00 O ATOM 1730 CB VAL A 103 -7.910 -8.515 8.409 1.00 25.00 C ATOM 1731 CG1 VAL A 103 -7.127 -9.647 7.746 1.00 25.00 C ATOM 1732 CG2 VAL A 103 -7.268 -8.155 9.754 1.00 25.00 C ATOM 0 H VAL A 103 -9.264 -6.412 8.904 1.00 25.00 H new ATOM 0 HA VAL A 103 -6.958 -6.875 7.372 1.00 25.00 H new ATOM 0 HB VAL A 103 -8.931 -8.852 8.587 1.00 25.00 H new ATOM 0 HG11 VAL A 103 -7.095 -10.508 8.414 1.00 25.00 H new ATOM 0 HG12 VAL A 103 -7.615 -9.930 6.813 1.00 25.00 H new ATOM 0 HG13 VAL A 103 -6.111 -9.313 7.537 1.00 25.00 H new ATOM 0 HG21 VAL A 103 -7.235 -9.040 10.390 1.00 25.00 H new ATOM 0 HG22 VAL A 103 -6.255 -7.789 9.587 1.00 25.00 H new ATOM 0 HG23 VAL A 103 -7.858 -7.379 10.243 1.00 25.00 H new ATOM 1742 N ALA A 104 -9.844 -7.939 6.092 1.00 25.00 N ATOM 1743 CA ALA A 104 -10.505 -8.370 4.865 1.00 25.00 C ATOM 1744 C ALA A 104 -10.396 -7.285 3.792 1.00 25.00 C ATOM 1745 O ALA A 104 -10.081 -7.566 2.646 1.00 25.00 O ATOM 1746 CB ALA A 104 -11.974 -8.698 5.154 1.00 25.00 C ATOM 0 H ALA A 104 -10.462 -7.858 6.899 1.00 25.00 H new ATOM 0 HA ALA A 104 -10.012 -9.268 4.492 1.00 25.00 H new ATOM 0 HB1 ALA A 104 -12.463 -9.019 4.234 1.00 25.00 H new ATOM 0 HB2 ALA A 104 -12.030 -9.497 5.893 1.00 25.00 H new ATOM 0 HB3 ALA A 104 -12.476 -7.811 5.541 1.00 25.00 H new ATOM 1752 N GLN A 105 -10.616 -6.039 4.180 1.00 25.00 N ATOM 1753 CA GLN A 105 -10.503 -4.933 3.237 1.00 25.00 C ATOM 1754 C GLN A 105 -9.090 -4.793 2.691 1.00 25.00 C ATOM 1755 O GLN A 105 -8.912 -4.476 1.526 1.00 25.00 O ATOM 1756 CB GLN A 105 -10.924 -3.623 3.895 1.00 25.00 C ATOM 1757 CG GLN A 105 -12.427 -3.410 3.877 1.00 25.00 C ATOM 1758 CD GLN A 105 -12.814 -2.044 4.383 1.00 25.00 C ATOM 1759 OE1 GLN A 105 -12.390 -1.030 3.852 1.00 25.00 O ATOM 1760 NE2 GLN A 105 -13.611 -2.005 5.417 1.00 25.00 N ATOM 0 H GLN A 105 -10.871 -5.768 5.130 1.00 25.00 H new ATOM 0 HA GLN A 105 -11.169 -5.156 2.404 1.00 25.00 H new ATOM 0 HB2 GLN A 105 -10.573 -3.611 4.927 1.00 25.00 H new ATOM 0 HB3 GLN A 105 -10.438 -2.792 3.383 1.00 25.00 H new ATOM 0 HG2 GLN A 105 -12.798 -3.538 2.860 1.00 25.00 H new ATOM 0 HG3 GLN A 105 -12.908 -4.172 4.490 1.00 25.00 H new ATOM 0 HE21 GLN A 105 -13.946 -2.873 5.836 1.00 25.00 H new ATOM 0 HE22 GLN A 105 -13.898 -1.107 5.806 1.00 25.00 H new ATOM 1769 N THR A 106 -8.072 -5.033 3.506 1.00 25.00 N ATOM 1770 CA THR A 106 -6.706 -4.902 3.019 1.00 25.00 C ATOM 1771 C THR A 106 -6.446 -6.000 1.982 1.00 25.00 C ATOM 1772 O THR A 106 -5.789 -5.750 0.981 1.00 25.00 O ATOM 1773 CB THR A 106 -5.671 -4.959 4.167 1.00 25.00 C ATOM 1774 OG1 THR A 106 -6.036 -4.031 5.188 1.00 25.00 O ATOM 1775 CG2 THR A 106 -4.281 -4.564 3.682 1.00 25.00 C ATOM 0 H THR A 106 -8.161 -5.312 4.483 1.00 25.00 H new ATOM 0 HA THR A 106 -6.591 -3.923 2.554 1.00 25.00 H new ATOM 0 HB THR A 106 -5.657 -5.983 4.540 1.00 25.00 H new ATOM 0 HG1 THR A 106 -6.797 -4.384 5.694 1.00 25.00 H new ATOM 0 HG21 THR A 106 -3.578 -4.615 4.513 1.00 25.00 H new ATOM 0 HG22 THR A 106 -3.962 -5.247 2.895 1.00 25.00 H new ATOM 0 HG23 THR A 106 -4.308 -3.547 3.291 1.00 25.00 H new ATOM 1783 N GLU A 107 -7.014 -7.186 2.173 1.00 25.00 N ATOM 1784 CA GLU A 107 -6.884 -8.253 1.170 1.00 25.00 C ATOM 1785 C GLU A 107 -7.531 -7.828 -0.149 1.00 25.00 C ATOM 1786 O GLU A 107 -6.948 -8.016 -1.211 1.00 25.00 O ATOM 1787 CB GLU A 107 -7.524 -9.567 1.654 1.00 25.00 C ATOM 1788 CG GLU A 107 -6.793 -10.180 2.826 1.00 25.00 C ATOM 1789 CD GLU A 107 -7.374 -11.501 3.290 1.00 25.00 C ATOM 1790 OE1 GLU A 107 -8.512 -11.526 3.804 1.00 25.00 O ATOM 1791 OE2 GLU A 107 -6.635 -12.512 3.224 1.00 25.00 O ATOM 0 H GLU A 107 -7.561 -7.437 2.996 1.00 25.00 H new ATOM 0 HA GLU A 107 -5.819 -8.426 1.016 1.00 25.00 H new ATOM 0 HB2 GLU A 107 -8.560 -9.378 1.937 1.00 25.00 H new ATOM 0 HB3 GLU A 107 -7.543 -10.281 0.831 1.00 25.00 H new ATOM 0 HG2 GLU A 107 -5.749 -10.330 2.552 1.00 25.00 H new ATOM 0 HG3 GLU A 107 -6.806 -9.476 3.658 1.00 25.00 H new ATOM 1798 N GLU A 108 -8.709 -7.222 -0.086 1.00 25.00 N ATOM 1799 CA GLU A 108 -9.405 -6.764 -1.297 1.00 25.00 C ATOM 1800 C GLU A 108 -8.580 -5.710 -2.037 1.00 25.00 C ATOM 1801 O GLU A 108 -8.430 -5.760 -3.259 1.00 25.00 O ATOM 1802 CB GLU A 108 -10.769 -6.158 -0.936 1.00 25.00 C ATOM 1803 CG GLU A 108 -11.774 -7.155 -0.372 1.00 25.00 C ATOM 1804 CD GLU A 108 -13.082 -6.484 0.042 1.00 25.00 C ATOM 1805 OE1 GLU A 108 -13.052 -5.592 0.925 1.00 25.00 O ATOM 1806 OE2 GLU A 108 -14.141 -6.852 -0.508 1.00 25.00 O ATOM 0 H GLU A 108 -9.207 -7.033 0.784 1.00 25.00 H new ATOM 0 HA GLU A 108 -9.545 -7.631 -1.943 1.00 25.00 H new ATOM 0 HB2 GLU A 108 -10.617 -5.362 -0.207 1.00 25.00 H new ATOM 0 HB3 GLU A 108 -11.195 -5.697 -1.827 1.00 25.00 H new ATOM 0 HG2 GLU A 108 -11.981 -7.921 -1.119 1.00 25.00 H new ATOM 0 HG3 GLU A 108 -11.338 -7.660 0.490 1.00 25.00 H new ATOM 1813 N ILE A 109 -8.026 -4.769 -1.288 1.00 25.00 N ATOM 1814 CA ILE A 109 -7.229 -3.683 -1.864 1.00 25.00 C ATOM 1815 C ILE A 109 -5.949 -4.247 -2.491 1.00 25.00 C ATOM 1816 O ILE A 109 -5.516 -3.791 -3.547 1.00 25.00 O ATOM 1817 CB ILE A 109 -6.903 -2.608 -0.773 1.00 25.00 C ATOM 1818 CG1 ILE A 109 -8.215 -1.935 -0.306 1.00 25.00 C ATOM 1819 CG2 ILE A 109 -5.934 -1.522 -1.317 1.00 25.00 C ATOM 1820 CD1 ILE A 109 -8.134 -1.268 1.071 1.00 25.00 C ATOM 0 H ILE A 109 -8.111 -4.731 -0.272 1.00 25.00 H new ATOM 0 HA ILE A 109 -7.805 -3.195 -2.650 1.00 25.00 H new ATOM 0 HB ILE A 109 -6.417 -3.111 0.063 1.00 25.00 H new ATOM 0 HG12 ILE A 109 -8.505 -1.185 -1.042 1.00 25.00 H new ATOM 0 HG13 ILE A 109 -9.006 -2.685 -0.286 1.00 25.00 H new ATOM 0 HG21 ILE A 109 -5.729 -0.792 -0.534 1.00 25.00 H new ATOM 0 HG22 ILE A 109 -5.001 -1.991 -1.629 1.00 25.00 H new ATOM 0 HG23 ILE A 109 -6.391 -1.020 -2.170 1.00 25.00 H new ATOM 0 HD11 ILE A 109 -9.098 -0.823 1.317 1.00 25.00 H new ATOM 0 HD12 ILE A 109 -7.877 -2.015 1.822 1.00 25.00 H new ATOM 0 HD13 ILE A 109 -7.369 -0.492 1.055 1.00 25.00 H new ATOM 1832 N LEU A 110 -5.366 -5.267 -1.877 1.00 25.00 N ATOM 1833 CA LEU A 110 -4.159 -5.891 -2.422 1.00 25.00 C ATOM 1834 C LEU A 110 -4.446 -6.623 -3.736 1.00 25.00 C ATOM 1835 O LEU A 110 -3.657 -6.536 -4.665 1.00 25.00 O ATOM 1836 CB LEU A 110 -3.542 -6.837 -1.385 1.00 25.00 C ATOM 1837 CG LEU A 110 -2.363 -6.241 -0.585 1.00 25.00 C ATOM 1838 CD1 LEU A 110 -2.646 -4.853 0.012 1.00 25.00 C ATOM 1839 CD2 LEU A 110 -1.969 -7.195 0.546 1.00 25.00 C ATOM 0 H LEU A 110 -5.703 -5.681 -1.008 1.00 25.00 H new ATOM 0 HA LEU A 110 -3.441 -5.103 -2.647 1.00 25.00 H new ATOM 0 HB2 LEU A 110 -4.320 -7.143 -0.685 1.00 25.00 H new ATOM 0 HB3 LEU A 110 -3.199 -7.738 -1.894 1.00 25.00 H new ATOM 0 HG LEU A 110 -1.551 -6.116 -1.301 1.00 25.00 H new ATOM 0 HD11 LEU A 110 -1.769 -4.506 0.558 1.00 25.00 H new ATOM 0 HD12 LEU A 110 -2.875 -4.152 -0.790 1.00 25.00 H new ATOM 0 HD13 LEU A 110 -3.495 -4.916 0.693 1.00 25.00 H new ATOM 0 HD21 LEU A 110 -1.137 -6.770 1.107 1.00 25.00 H new ATOM 0 HD22 LEU A 110 -2.819 -7.340 1.212 1.00 25.00 H new ATOM 0 HD23 LEU A 110 -1.670 -8.155 0.125 1.00 25.00 H new ATOM 1851 N LYS A 111 -5.593 -7.281 -3.853 1.00 25.00 N ATOM 1852 CA LYS A 111 -5.986 -7.906 -5.125 1.00 25.00 C ATOM 1853 C LYS A 111 -6.290 -6.865 -6.200 1.00 25.00 C ATOM 1854 O LYS A 111 -6.179 -7.145 -7.386 1.00 25.00 O ATOM 1855 CB LYS A 111 -7.223 -8.796 -4.921 1.00 25.00 C ATOM 1856 CG LYS A 111 -7.025 -9.929 -3.910 1.00 25.00 C ATOM 1857 CD LYS A 111 -6.007 -10.947 -4.381 1.00 25.00 C ATOM 1858 CE LYS A 111 -5.548 -11.843 -3.238 1.00 25.00 C ATOM 1859 NZ LYS A 111 -6.654 -12.415 -2.404 1.00 25.00 N ATOM 0 H LYS A 111 -6.266 -7.399 -3.096 1.00 25.00 H new ATOM 0 HA LYS A 111 -5.143 -8.510 -5.461 1.00 25.00 H new ATOM 0 HB2 LYS A 111 -8.054 -8.172 -4.592 1.00 25.00 H new ATOM 0 HB3 LYS A 111 -7.508 -9.227 -5.881 1.00 25.00 H new ATOM 0 HG2 LYS A 111 -6.703 -9.510 -2.957 1.00 25.00 H new ATOM 0 HG3 LYS A 111 -7.979 -10.427 -3.734 1.00 25.00 H new ATOM 0 HD2 LYS A 111 -6.441 -11.558 -5.173 1.00 25.00 H new ATOM 0 HD3 LYS A 111 -5.147 -10.432 -4.810 1.00 25.00 H new ATOM 0 HE2 LYS A 111 -4.962 -12.664 -3.651 1.00 25.00 H new ATOM 0 HE3 LYS A 111 -4.883 -11.271 -2.591 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 -6.265 -13.126 -1.752 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 -7.106 -11.654 -1.857 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 -7.360 -12.862 -3.023 1.00 25.00 H new