USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=25 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 46:sc= 0.527 USER MOD Set 1.2: A 106 THR OG1 : rot 88:sc= 1.7 USER MOD Set 2.1: A 84 ASN : amide:sc= 1.45 K(o=2.4,f=-2.4) USER MOD Set 2.2: A 87 LYS NZ :NH3+ 176:sc= 0.991 (180deg=0) USER MOD Set 3.1: A 42 CYS SG : rot -35:sc= 0.722 USER MOD Set 3.2: A 62 CYS SG : rot 129:sc= 0.688 USER MOD Set 4.1: A 17 GLN : amide:sc= 0.719 K(o=1.6,f=-4.4) USER MOD Set 4.2: A 20 LYS NZ :NH3+ -172:sc= 0.922 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 GLN : amide:sc= 0.581 K(o=0.58,f=0) USER MOD Single : A 8 HIS : no HE2:sc= 1.2 K(o=1.2,f=-4!) USER MOD Single : A 14 GLN : amide:sc= -1.51 X(o=-1.5,f=-1.6) USER MOD Single : A 16 LYS NZ :NH3+ -146:sc= 1.02 (180deg=-0.0451) USER MOD Single : A 21 THR OG1 : rot 5:sc= -0.0839 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 175:sc= 0.878 (180deg=0.348) USER MOD Single : A 33 LYS NZ :NH3+ -172:sc= 0.936 (180deg=0.891) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0581 USER MOD Single : A 47 GLN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : A 50 THR OG1 : rot 63:sc= 0.305 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.0378 X(o=-0.038,f=-0.073) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot -41:sc= 0.00549 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 130:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -153:sc= 0.895 (180deg=0.526) USER MOD Single : A 93 LYS NZ :NH3+ -112:sc= 1.37 (180deg=-0.408) USER MOD Single : A 96 ASN : amide:sc= 0.674 K(o=0.67,f=0) USER MOD Single : A 98 GLN : amide:sc= -0.052 X(o=-0.052,f=-0.24) USER MOD Single : A 100 MET CE :methyl 177:sc= 0 (180deg=-0.00276) USER MOD Single : A 105 GLN :FLIP amide:sc= 0 F(o=-1.2,f=0) USER MOD Single : A 111 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0969) USER MOD ----------------------------------------------------------------- ATOM 43 N GLY A 2 1.050 0.889 2.128 1.00 25.00 N ATOM 44 CA GLY A 2 0.624 1.728 3.244 1.00 25.00 C ATOM 45 C GLY A 2 0.198 3.121 2.834 1.00 25.00 C ATOM 46 O GLY A 2 -0.785 3.648 3.356 1.00 25.00 O ATOM 0 HA2 GLY A 2 -0.205 1.241 3.757 1.00 25.00 H new ATOM 0 HA3 GLY A 2 1.441 1.805 3.961 1.00 25.00 H new ATOM 50 N GLN A 3 0.904 3.713 1.882 1.00 25.00 N ATOM 51 CA GLN A 3 0.546 5.050 1.408 1.00 25.00 C ATOM 52 C GLN A 3 -0.835 5.021 0.757 1.00 25.00 C ATOM 53 O GLN A 3 -1.650 5.907 0.988 1.00 25.00 O ATOM 54 CB GLN A 3 1.585 5.563 0.408 1.00 25.00 C ATOM 55 CG GLN A 3 2.951 5.830 1.031 1.00 25.00 C ATOM 56 CD GLN A 3 3.959 6.317 0.014 1.00 25.00 C ATOM 57 OE1 GLN A 3 3.952 7.473 -0.374 1.00 25.00 O ATOM 58 NE2 GLN A 3 4.830 5.445 -0.414 1.00 25.00 N ATOM 0 H GLN A 3 1.717 3.300 1.425 1.00 25.00 H new ATOM 0 HA GLN A 3 0.524 5.726 2.263 1.00 25.00 H new ATOM 0 HB2 GLN A 3 1.697 4.833 -0.394 1.00 25.00 H new ATOM 0 HB3 GLN A 3 1.216 6.482 -0.047 1.00 25.00 H new ATOM 0 HG2 GLN A 3 2.848 6.573 1.822 1.00 25.00 H new ATOM 0 HG3 GLN A 3 3.320 4.917 1.497 1.00 25.00 H new ATOM 0 HE21 GLN A 3 4.805 4.486 -0.067 1.00 25.00 H new ATOM 0 HE22 GLN A 3 5.536 5.722 -1.096 1.00 25.00 H new ATOM 67 N GLU A 4 -1.114 3.975 -0.011 1.00 25.00 N ATOM 68 CA GLU A 4 -2.417 3.834 -0.651 1.00 25.00 C ATOM 69 C GLU A 4 -3.495 3.591 0.398 1.00 25.00 C ATOM 70 O GLU A 4 -4.575 4.125 0.296 1.00 25.00 O ATOM 71 CB GLU A 4 -2.386 2.701 -1.692 1.00 25.00 C ATOM 72 CG GLU A 4 -3.740 2.024 -2.000 1.00 25.00 C ATOM 73 CD GLU A 4 -4.791 2.962 -2.617 1.00 25.00 C ATOM 74 OE1 GLU A 4 -4.481 4.126 -2.952 1.00 25.00 O ATOM 75 OE2 GLU A 4 -5.958 2.517 -2.738 1.00 25.00 O ATOM 0 H GLU A 4 -0.461 3.216 -0.205 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.656 4.760 -1.174 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -1.983 3.101 -2.622 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -1.691 1.936 -1.346 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -3.569 1.190 -2.681 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -4.141 1.605 -1.077 1.00 25.00 H new ATOM 82 N LEU A 5 -3.203 2.832 1.442 1.00 25.00 N ATOM 83 CA LEU A 5 -4.213 2.587 2.475 1.00 25.00 C ATOM 84 C LEU A 5 -4.645 3.884 3.173 1.00 25.00 C ATOM 85 O LEU A 5 -5.829 4.070 3.438 1.00 25.00 O ATOM 86 CB LEU A 5 -3.710 1.568 3.498 1.00 25.00 C ATOM 87 CG LEU A 5 -3.554 0.122 2.990 1.00 25.00 C ATOM 88 CD1 LEU A 5 -3.007 -0.743 4.117 1.00 25.00 C ATOM 89 CD2 LEU A 5 -4.876 -0.470 2.483 1.00 25.00 C ATOM 0 H LEU A 5 -2.301 2.382 1.601 1.00 25.00 H new ATOM 0 HA LEU A 5 -5.090 2.175 1.976 1.00 25.00 H new ATOM 0 HB2 LEU A 5 -2.744 1.906 3.874 1.00 25.00 H new ATOM 0 HB3 LEU A 5 -4.397 1.563 4.344 1.00 25.00 H new ATOM 0 HG LEU A 5 -2.865 0.140 2.145 1.00 25.00 H new ATOM 0 HD11 LEU A 5 -2.893 -1.769 3.766 1.00 25.00 H new ATOM 0 HD12 LEU A 5 -2.037 -0.358 4.433 1.00 25.00 H new ATOM 0 HD13 LEU A 5 -3.698 -0.722 4.960 1.00 25.00 H new ATOM 0 HD21 LEU A 5 -4.709 -1.490 2.137 1.00 25.00 H new ATOM 0 HD22 LEU A 5 -5.606 -0.476 3.292 1.00 25.00 H new ATOM 0 HD23 LEU A 5 -5.253 0.135 1.659 1.00 25.00 H new ATOM 101 N SER A 6 -3.715 4.798 3.418 1.00 25.00 N ATOM 102 CA SER A 6 -4.067 6.117 3.964 1.00 25.00 C ATOM 103 C SER A 6 -4.737 7.028 2.924 1.00 25.00 C ATOM 104 O SER A 6 -5.475 7.935 3.286 1.00 25.00 O ATOM 105 CB SER A 6 -2.818 6.823 4.495 1.00 25.00 C ATOM 106 OG SER A 6 -3.173 7.976 5.243 1.00 25.00 O ATOM 0 H SER A 6 -2.718 4.660 3.252 1.00 25.00 H new ATOM 0 HA SER A 6 -4.779 5.936 4.769 1.00 25.00 H new ATOM 0 HB2 SER A 6 -2.246 6.139 5.122 1.00 25.00 H new ATOM 0 HB3 SER A 6 -2.174 7.107 3.663 1.00 25.00 H new ATOM 0 HG SER A 6 -2.361 8.413 5.575 1.00 25.00 H new ATOM 112 N GLN A 7 -4.473 6.793 1.647 1.00 25.00 N ATOM 113 CA GLN A 7 -5.094 7.567 0.563 1.00 25.00 C ATOM 114 C GLN A 7 -6.529 7.080 0.329 1.00 25.00 C ATOM 115 O GLN A 7 -7.409 7.828 -0.093 1.00 25.00 O ATOM 116 CB GLN A 7 -4.261 7.386 -0.717 1.00 25.00 C ATOM 117 CG GLN A 7 -4.767 8.155 -1.931 1.00 25.00 C ATOM 118 CD GLN A 7 -3.829 8.039 -3.118 1.00 25.00 C ATOM 119 OE1 GLN A 7 -3.222 9.015 -3.531 1.00 25.00 O ATOM 120 NE2 GLN A 7 -3.696 6.856 -3.660 1.00 25.00 N ATOM 0 H GLN A 7 -3.830 6.069 1.327 1.00 25.00 H new ATOM 0 HA GLN A 7 -5.125 8.622 0.834 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -3.236 7.695 -0.512 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -4.230 6.325 -0.965 1.00 25.00 H new ATOM 0 HG2 GLN A 7 -5.752 7.781 -2.211 1.00 25.00 H new ATOM 0 HG3 GLN A 7 -4.888 9.206 -1.668 1.00 25.00 H new ATOM 0 HE21 GLN A 7 -4.219 6.063 -3.288 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -3.069 6.726 -4.454 1.00 25.00 H new ATOM 129 N HIS A 8 -6.751 5.803 0.597 1.00 25.00 N ATOM 130 CA HIS A 8 -8.038 5.154 0.370 1.00 25.00 C ATOM 131 C HIS A 8 -9.012 5.539 1.478 1.00 25.00 C ATOM 132 O HIS A 8 -9.161 4.814 2.450 1.00 25.00 O ATOM 133 CB HIS A 8 -7.824 3.629 0.330 1.00 25.00 C ATOM 134 CG HIS A 8 -8.813 2.892 -0.517 1.00 25.00 C ATOM 135 ND1 HIS A 8 -8.530 2.469 -1.816 1.00 25.00 N ATOM 136 CD2 HIS A 8 -10.079 2.456 -0.281 1.00 25.00 C ATOM 137 CE1 HIS A 8 -9.583 1.828 -2.301 1.00 25.00 C ATOM 138 NE2 HIS A 8 -10.527 1.811 -1.396 1.00 25.00 N ATOM 0 H HIS A 8 -6.040 5.181 0.981 1.00 25.00 H new ATOM 0 HA HIS A 8 -8.462 5.479 -0.580 1.00 25.00 H new ATOM 0 HB2 HIS A 8 -6.820 3.424 -0.042 1.00 25.00 H new ATOM 0 HB3 HIS A 8 -7.873 3.240 1.347 1.00 25.00 H new ATOM 0 HD1 HIS A 8 -7.653 2.628 -2.312 1.00 25.00 H new ATOM 0 HD2 HIS A 8 -10.635 2.597 0.634 1.00 25.00 H new ATOM 0 HE1 HIS A 8 -9.651 1.390 -3.286 1.00 25.00 H new ATOM 146 N GLU A 9 -9.686 6.670 1.337 1.00 25.00 N ATOM 147 CA GLU A 9 -10.589 7.172 2.382 1.00 25.00 C ATOM 148 C GLU A 9 -11.611 6.136 2.854 1.00 25.00 C ATOM 149 O GLU A 9 -11.886 6.030 4.040 1.00 25.00 O ATOM 150 CB GLU A 9 -11.326 8.417 1.894 1.00 25.00 C ATOM 151 CG GLU A 9 -10.413 9.607 1.663 1.00 25.00 C ATOM 152 CD GLU A 9 -11.198 10.854 1.304 1.00 25.00 C ATOM 153 OE1 GLU A 9 -11.905 10.833 0.274 1.00 25.00 O ATOM 154 OE2 GLU A 9 -11.133 11.844 2.065 1.00 25.00 O ATOM 0 H GLU A 9 -9.630 7.265 0.510 1.00 25.00 H new ATOM 0 HA GLU A 9 -9.955 7.412 3.236 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -11.846 8.182 0.965 1.00 25.00 H new ATOM 0 HB3 GLU A 9 -12.087 8.689 2.625 1.00 25.00 H new ATOM 0 HG2 GLU A 9 -9.824 9.794 2.561 1.00 25.00 H new ATOM 0 HG3 GLU A 9 -9.710 9.376 0.863 1.00 25.00 H new ATOM 161 N ARG A 10 -12.123 5.316 1.947 1.00 25.00 N ATOM 162 CA ARG A 10 -13.078 4.266 2.334 1.00 25.00 C ATOM 163 C ARG A 10 -12.487 3.248 3.317 1.00 25.00 C ATOM 164 O ARG A 10 -13.207 2.674 4.121 1.00 25.00 O ATOM 165 CB ARG A 10 -13.596 3.536 1.090 1.00 25.00 C ATOM 166 CG ARG A 10 -15.078 3.791 0.806 1.00 25.00 C ATOM 167 CD ARG A 10 -15.975 3.129 1.855 1.00 25.00 C ATOM 168 NE ARG A 10 -17.402 3.368 1.578 1.00 25.00 N ATOM 169 CZ ARG A 10 -18.412 2.894 2.301 1.00 25.00 C ATOM 170 NH1 ARG A 10 -18.223 2.137 3.356 1.00 25.00 N ATOM 171 NH2 ARG A 10 -19.635 3.188 1.957 1.00 25.00 N ATOM 0 H ARG A 10 -11.903 5.349 0.952 1.00 25.00 H new ATOM 0 HA ARG A 10 -13.899 4.769 2.845 1.00 25.00 H new ATOM 0 HB2 ARG A 10 -13.010 3.847 0.225 1.00 25.00 H new ATOM 0 HB3 ARG A 10 -13.437 2.465 1.214 1.00 25.00 H new ATOM 0 HG2 ARG A 10 -15.267 4.864 0.790 1.00 25.00 H new ATOM 0 HG3 ARG A 10 -15.331 3.409 -0.183 1.00 25.00 H new ATOM 0 HD2 ARG A 10 -15.782 2.056 1.874 1.00 25.00 H new ATOM 0 HD3 ARG A 10 -15.726 3.515 2.843 1.00 25.00 H new ATOM 0 HE ARG A 10 -17.633 3.942 0.768 1.00 25.00 H new ATOM 0 HH11 ARG A 10 -17.276 1.894 3.646 1.00 25.00 H new ATOM 0 HH12 ARG A 10 -19.023 1.792 3.886 1.00 25.00 H new ATOM 0 HH21 ARG A 10 -19.808 3.775 1.141 1.00 25.00 H new ATOM 0 HH22 ARG A 10 -20.418 2.830 2.504 1.00 25.00 H new ATOM 185 N TYR A 11 -11.179 3.044 3.256 1.00 25.00 N ATOM 186 CA TYR A 11 -10.484 2.142 4.172 1.00 25.00 C ATOM 187 C TYR A 11 -10.160 2.906 5.454 1.00 25.00 C ATOM 188 O TYR A 11 -10.364 2.401 6.562 1.00 25.00 O ATOM 189 CB TYR A 11 -9.196 1.638 3.513 1.00 25.00 C ATOM 190 CG TYR A 11 -8.366 0.736 4.389 1.00 25.00 C ATOM 191 CD1 TYR A 11 -8.714 -0.615 4.566 1.00 25.00 C ATOM 192 CD2 TYR A 11 -7.216 1.225 5.036 1.00 25.00 C ATOM 193 CE1 TYR A 11 -7.931 -1.465 5.393 1.00 25.00 C ATOM 194 CE2 TYR A 11 -6.428 0.376 5.849 1.00 25.00 C ATOM 195 CZ TYR A 11 -6.797 -0.957 6.029 1.00 25.00 C ATOM 196 OH TYR A 11 -6.036 -1.760 6.838 1.00 25.00 O ATOM 0 H TYR A 11 -10.569 3.495 2.574 1.00 25.00 H new ATOM 0 HA TYR A 11 -11.113 1.283 4.409 1.00 25.00 H new ATOM 0 HB2 TYR A 11 -9.454 1.102 2.600 1.00 25.00 H new ATOM 0 HB3 TYR A 11 -8.592 2.496 3.219 1.00 25.00 H new ATOM 0 HD1 TYR A 11 -9.586 -1.011 4.068 1.00 25.00 H new ATOM 0 HD2 TYR A 11 -6.932 2.259 4.911 1.00 25.00 H new ATOM 0 HE1 TYR A 11 -8.212 -2.499 5.529 1.00 25.00 H new ATOM 0 HE2 TYR A 11 -5.541 0.760 6.330 1.00 25.00 H new ATOM 0 HH TYR A 11 -5.882 -2.620 6.394 1.00 25.00 H new ATOM 206 N VAL A 12 -9.720 4.150 5.291 1.00 25.00 N ATOM 207 CA VAL A 12 -9.419 5.044 6.419 1.00 25.00 C ATOM 208 C VAL A 12 -10.615 5.184 7.348 1.00 25.00 C ATOM 209 O VAL A 12 -10.442 5.227 8.562 1.00 25.00 O ATOM 210 CB VAL A 12 -9.020 6.469 5.918 1.00 25.00 C ATOM 211 CG1 VAL A 12 -8.879 7.468 7.085 1.00 25.00 C ATOM 212 CG2 VAL A 12 -7.709 6.409 5.148 1.00 25.00 C ATOM 0 H VAL A 12 -9.560 4.572 4.376 1.00 25.00 H new ATOM 0 HA VAL A 12 -8.586 4.595 6.959 1.00 25.00 H new ATOM 0 HB VAL A 12 -9.819 6.817 5.264 1.00 25.00 H new ATOM 0 HG11 VAL A 12 -8.601 8.447 6.694 1.00 25.00 H new ATOM 0 HG12 VAL A 12 -9.829 7.545 7.615 1.00 25.00 H new ATOM 0 HG13 VAL A 12 -8.108 7.119 7.772 1.00 25.00 H new ATOM 0 HG21 VAL A 12 -7.443 7.409 4.805 1.00 25.00 H new ATOM 0 HG22 VAL A 12 -6.922 6.027 5.798 1.00 25.00 H new ATOM 0 HG23 VAL A 12 -7.822 5.748 4.289 1.00 25.00 H new ATOM 222 N GLU A 13 -11.821 5.228 6.797 1.00 25.00 N ATOM 223 CA GLU A 13 -13.026 5.380 7.611 1.00 25.00 C ATOM 224 C GLU A 13 -13.099 4.353 8.735 1.00 25.00 C ATOM 225 O GLU A 13 -13.426 4.688 9.876 1.00 25.00 O ATOM 226 CB GLU A 13 -14.296 5.290 6.755 1.00 25.00 C ATOM 227 CG GLU A 13 -14.648 6.592 6.039 1.00 25.00 C ATOM 228 CD GLU A 13 -14.700 7.775 6.997 1.00 25.00 C ATOM 229 OE1 GLU A 13 -15.411 7.698 8.025 1.00 25.00 O ATOM 230 OE2 GLU A 13 -13.925 8.731 6.798 1.00 25.00 O ATOM 0 H GLU A 13 -11.994 5.161 5.794 1.00 25.00 H new ATOM 0 HA GLU A 13 -12.965 6.372 8.058 1.00 25.00 H new ATOM 0 HB2 GLU A 13 -14.169 4.501 6.014 1.00 25.00 H new ATOM 0 HB3 GLU A 13 -15.132 4.998 7.391 1.00 25.00 H new ATOM 0 HG2 GLU A 13 -13.911 6.788 5.261 1.00 25.00 H new ATOM 0 HG3 GLU A 13 -15.613 6.484 5.544 1.00 25.00 H new ATOM 237 N GLN A 14 -12.742 3.113 8.438 1.00 25.00 N ATOM 238 CA GLN A 14 -12.739 2.076 9.450 1.00 25.00 C ATOM 239 C GLN A 14 -11.413 2.125 10.230 1.00 25.00 C ATOM 240 O GLN A 14 -11.397 1.996 11.458 1.00 25.00 O ATOM 241 CB GLN A 14 -13.007 0.716 8.765 1.00 25.00 C ATOM 242 CG GLN A 14 -11.922 -0.360 8.883 1.00 25.00 C ATOM 243 CD GLN A 14 -11.730 -0.858 10.304 1.00 25.00 C ATOM 244 OE1 GLN A 14 -10.620 -0.896 10.817 1.00 25.00 O ATOM 245 NE2 GLN A 14 -12.807 -1.223 10.945 1.00 25.00 N ATOM 0 H GLN A 14 -12.453 2.805 7.510 1.00 25.00 H new ATOM 0 HA GLN A 14 -13.531 2.229 10.183 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -13.931 0.309 9.175 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -13.183 0.902 7.705 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -12.182 -1.202 8.241 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -10.978 0.042 8.515 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -13.715 -1.177 10.483 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -12.740 -1.554 11.907 1.00 25.00 H new ATOM 254 N LEU A 15 -10.306 2.334 9.528 1.00 25.00 N ATOM 255 CA LEU A 15 -8.984 2.261 10.150 1.00 25.00 C ATOM 256 C LEU A 15 -8.755 3.337 11.206 1.00 25.00 C ATOM 257 O LEU A 15 -8.061 3.105 12.188 1.00 25.00 O ATOM 258 CB LEU A 15 -7.889 2.366 9.079 1.00 25.00 C ATOM 259 CG LEU A 15 -6.644 1.451 9.161 1.00 25.00 C ATOM 260 CD1 LEU A 15 -5.420 2.264 8.743 1.00 25.00 C ATOM 261 CD2 LEU A 15 -6.368 0.796 10.517 1.00 25.00 C ATOM 0 H LEU A 15 -10.294 2.555 8.532 1.00 25.00 H new ATOM 0 HA LEU A 15 -8.937 1.296 10.654 1.00 25.00 H new ATOM 0 HB2 LEU A 15 -8.361 2.187 8.113 1.00 25.00 H new ATOM 0 HB3 LEU A 15 -7.535 3.397 9.075 1.00 25.00 H new ATOM 0 HG LEU A 15 -6.856 0.618 8.491 1.00 25.00 H new ATOM 0 HD11 LEU A 15 -4.531 1.636 8.794 1.00 25.00 H new ATOM 0 HD12 LEU A 15 -5.553 2.622 7.722 1.00 25.00 H new ATOM 0 HD13 LEU A 15 -5.302 3.115 9.414 1.00 25.00 H new ATOM 0 HD21 LEU A 15 -5.471 0.180 10.448 1.00 25.00 H new ATOM 0 HD22 LEU A 15 -6.220 1.569 11.271 1.00 25.00 H new ATOM 0 HD23 LEU A 15 -7.216 0.172 10.799 1.00 25.00 H new ATOM 273 N LYS A 16 -9.345 4.511 11.040 1.00 25.00 N ATOM 274 CA LYS A 16 -9.150 5.581 12.023 1.00 25.00 C ATOM 275 C LYS A 16 -9.780 5.204 13.343 1.00 25.00 C ATOM 276 O LYS A 16 -9.291 5.589 14.395 1.00 25.00 O ATOM 277 CB LYS A 16 -9.680 6.929 11.512 1.00 25.00 C ATOM 278 CG LYS A 16 -11.180 7.003 11.283 1.00 25.00 C ATOM 279 CD LYS A 16 -11.566 8.317 10.609 1.00 25.00 C ATOM 280 CE LYS A 16 -13.013 8.255 10.181 1.00 25.00 C ATOM 281 NZ LYS A 16 -13.510 9.464 9.441 1.00 25.00 N ATOM 0 H LYS A 16 -9.951 4.750 10.255 1.00 25.00 H new ATOM 0 HA LYS A 16 -8.078 5.703 12.178 1.00 25.00 H new ATOM 0 HB2 LYS A 16 -9.402 7.703 12.227 1.00 25.00 H new ATOM 0 HB3 LYS A 16 -9.176 7.165 10.575 1.00 25.00 H new ATOM 0 HG2 LYS A 16 -11.499 6.165 10.663 1.00 25.00 H new ATOM 0 HG3 LYS A 16 -11.702 6.912 12.236 1.00 25.00 H new ATOM 0 HD2 LYS A 16 -11.414 9.149 11.296 1.00 25.00 H new ATOM 0 HD3 LYS A 16 -10.927 8.497 9.744 1.00 25.00 H new ATOM 0 HE2 LYS A 16 -13.152 7.378 9.548 1.00 25.00 H new ATOM 0 HE3 LYS A 16 -13.632 8.110 11.066 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 -14.509 9.630 9.678 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 -12.947 10.294 9.715 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 -13.419 9.306 8.417 1.00 25.00 H new ATOM 295 N GLN A 17 -10.826 4.402 13.298 1.00 25.00 N ATOM 296 CA GLN A 17 -11.450 3.927 14.522 1.00 25.00 C ATOM 297 C GLN A 17 -10.560 2.862 15.159 1.00 25.00 C ATOM 298 O GLN A 17 -10.385 2.851 16.371 1.00 25.00 O ATOM 299 CB GLN A 17 -12.852 3.378 14.244 1.00 25.00 C ATOM 300 CG GLN A 17 -13.818 4.417 13.644 1.00 25.00 C ATOM 301 CD GLN A 17 -14.089 5.586 14.581 1.00 25.00 C ATOM 302 OE1 GLN A 17 -13.339 6.563 14.625 1.00 25.00 O ATOM 303 NE2 GLN A 17 -15.156 5.492 15.330 1.00 25.00 N ATOM 0 H GLN A 17 -11.260 4.067 12.438 1.00 25.00 H new ATOM 0 HA GLN A 17 -11.560 4.761 15.215 1.00 25.00 H new ATOM 0 HB2 GLN A 17 -12.772 2.533 13.561 1.00 25.00 H new ATOM 0 HB3 GLN A 17 -13.274 2.997 15.174 1.00 25.00 H new ATOM 0 HG2 GLN A 17 -13.402 4.795 12.710 1.00 25.00 H new ATOM 0 HG3 GLN A 17 -14.761 3.929 13.398 1.00 25.00 H new ATOM 0 HE21 GLN A 17 -15.753 4.668 15.266 1.00 25.00 H new ATOM 0 HE22 GLN A 17 -15.392 6.243 15.979 1.00 25.00 H new ATOM 312 N ALA A 18 -9.949 2.003 14.354 1.00 25.00 N ATOM 313 CA ALA A 18 -9.042 0.990 14.896 1.00 25.00 C ATOM 314 C ALA A 18 -7.793 1.646 15.516 1.00 25.00 C ATOM 315 O ALA A 18 -7.352 1.246 16.588 1.00 25.00 O ATOM 316 CB ALA A 18 -8.640 -0.015 13.808 1.00 25.00 C ATOM 0 H ALA A 18 -10.059 1.983 13.340 1.00 25.00 H new ATOM 0 HA ALA A 18 -9.569 0.451 15.684 1.00 25.00 H new ATOM 0 HB1 ALA A 18 -7.966 -0.759 14.232 1.00 25.00 H new ATOM 0 HB2 ALA A 18 -9.531 -0.510 13.423 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -8.137 0.510 12.996 1.00 25.00 H new ATOM 322 N LEU A 19 -7.257 2.678 14.871 1.00 25.00 N ATOM 323 CA LEU A 19 -6.094 3.399 15.407 1.00 25.00 C ATOM 324 C LEU A 19 -6.442 3.985 16.786 1.00 25.00 C ATOM 325 O LEU A 19 -5.649 3.909 17.721 1.00 25.00 O ATOM 326 CB LEU A 19 -5.646 4.533 14.456 1.00 25.00 C ATOM 327 CG LEU A 19 -4.296 4.349 13.716 1.00 25.00 C ATOM 328 CD1 LEU A 19 -4.419 3.540 12.419 1.00 25.00 C ATOM 329 CD2 LEU A 19 -3.682 5.706 13.370 1.00 25.00 C ATOM 0 H LEU A 19 -7.603 3.037 13.981 1.00 25.00 H new ATOM 0 HA LEU A 19 -5.269 2.692 15.501 1.00 25.00 H new ATOM 0 HB2 LEU A 19 -6.425 4.672 13.707 1.00 25.00 H new ATOM 0 HB3 LEU A 19 -5.591 5.456 15.034 1.00 25.00 H new ATOM 0 HG LEU A 19 -3.659 3.794 14.405 1.00 25.00 H new ATOM 0 HD11 LEU A 19 -3.438 3.449 11.952 1.00 25.00 H new ATOM 0 HD12 LEU A 19 -4.807 2.547 12.645 1.00 25.00 H new ATOM 0 HD13 LEU A 19 -5.100 4.048 11.736 1.00 25.00 H new ATOM 0 HD21 LEU A 19 -2.735 5.555 12.851 1.00 25.00 H new ATOM 0 HD22 LEU A 19 -4.364 6.261 12.726 1.00 25.00 H new ATOM 0 HD23 LEU A 19 -3.508 6.271 14.286 1.00 25.00 H new ATOM 341 N LYS A 20 -7.648 4.530 16.921 1.00 25.00 N ATOM 342 CA LYS A 20 -8.095 5.101 18.203 1.00 25.00 C ATOM 343 C LYS A 20 -8.295 4.036 19.273 1.00 25.00 C ATOM 344 O LYS A 20 -7.861 4.208 20.403 1.00 25.00 O ATOM 345 CB LYS A 20 -9.429 5.834 18.031 1.00 25.00 C ATOM 346 CG LYS A 20 -9.355 7.123 17.232 1.00 25.00 C ATOM 347 CD LYS A 20 -10.765 7.560 16.855 1.00 25.00 C ATOM 348 CE LYS A 20 -10.755 8.723 15.879 1.00 25.00 C ATOM 349 NZ LYS A 20 -12.164 9.075 15.487 1.00 25.00 N ATOM 0 H LYS A 20 -8.334 4.592 16.169 1.00 25.00 H new ATOM 0 HA LYS A 20 -7.308 5.786 18.518 1.00 25.00 H new ATOM 0 HB2 LYS A 20 -10.135 5.162 17.543 1.00 25.00 H new ATOM 0 HB3 LYS A 20 -9.833 6.059 19.018 1.00 25.00 H new ATOM 0 HG2 LYS A 20 -8.865 7.901 17.818 1.00 25.00 H new ATOM 0 HG3 LYS A 20 -8.755 6.975 16.334 1.00 25.00 H new ATOM 0 HD2 LYS A 20 -11.300 6.719 16.413 1.00 25.00 H new ATOM 0 HD3 LYS A 20 -11.309 7.846 17.755 1.00 25.00 H new ATOM 0 HE2 LYS A 20 -10.268 9.586 16.333 1.00 25.00 H new ATOM 0 HE3 LYS A 20 -10.177 8.461 14.993 1.00 25.00 H new ATOM 0 HZ1 LYS A 20 -12.146 9.777 14.720 1.00 25.00 H new ATOM 0 HZ2 LYS A 20 -12.658 8.220 15.162 1.00 25.00 H new ATOM 0 HZ3 LYS A 20 -12.664 9.472 16.308 1.00 25.00 H new ATOM 363 N THR A 21 -8.975 2.952 18.924 1.00 25.00 N ATOM 364 CA THR A 21 -9.307 1.900 19.897 1.00 25.00 C ATOM 365 C THR A 21 -8.074 1.145 20.373 1.00 25.00 C ATOM 366 O THR A 21 -8.094 0.527 21.428 1.00 25.00 O ATOM 367 CB THR A 21 -10.301 0.868 19.314 1.00 25.00 C ATOM 368 OG1 THR A 21 -9.816 0.387 18.063 1.00 25.00 O ATOM 369 CG2 THR A 21 -11.666 1.484 19.069 1.00 25.00 C ATOM 0 H THR A 21 -9.310 2.771 17.978 1.00 25.00 H new ATOM 0 HA THR A 21 -9.763 2.420 20.739 1.00 25.00 H new ATOM 0 HB THR A 21 -10.392 0.061 20.041 1.00 25.00 H new ATOM 0 HG1 THR A 21 -8.926 0.760 17.892 1.00 25.00 H new ATOM 0 HG21 THR A 21 -12.338 0.729 18.659 1.00 25.00 H new ATOM 0 HG22 THR A 21 -12.071 1.858 20.010 1.00 25.00 H new ATOM 0 HG23 THR A 21 -11.572 2.308 18.362 1.00 25.00 H new ATOM 377 N ARG A 22 -6.981 1.239 19.625 1.00 25.00 N ATOM 378 CA ARG A 22 -5.726 0.619 20.035 1.00 25.00 C ATOM 379 C ARG A 22 -5.155 1.349 21.250 1.00 25.00 C ATOM 380 O ARG A 22 -4.356 0.794 21.991 1.00 25.00 O ATOM 381 CB ARG A 22 -4.731 0.653 18.863 1.00 25.00 C ATOM 382 CG ARG A 22 -3.566 -0.327 18.985 1.00 25.00 C ATOM 383 CD ARG A 22 -4.038 -1.769 18.881 1.00 25.00 C ATOM 384 NE ARG A 22 -3.807 -2.496 20.141 1.00 25.00 N ATOM 385 CZ ARG A 22 -2.879 -3.429 20.333 1.00 25.00 C ATOM 386 NH1 ARG A 22 -2.069 -3.825 19.390 1.00 25.00 N ATOM 387 NH2 ARG A 22 -2.758 -3.979 21.505 1.00 25.00 N ATOM 0 H ARG A 22 -6.938 1.736 18.735 1.00 25.00 H new ATOM 0 HA ARG A 22 -5.906 -0.419 20.314 1.00 25.00 H new ATOM 0 HB2 ARG A 22 -5.271 0.441 17.940 1.00 25.00 H new ATOM 0 HB3 ARG A 22 -4.330 1.663 18.774 1.00 25.00 H new ATOM 0 HG2 ARG A 22 -2.835 -0.125 18.202 1.00 25.00 H new ATOM 0 HG3 ARG A 22 -3.061 -0.176 19.939 1.00 25.00 H new ATOM 0 HD2 ARG A 22 -5.100 -1.790 18.635 1.00 25.00 H new ATOM 0 HD3 ARG A 22 -3.512 -2.269 18.068 1.00 25.00 H new ATOM 0 HE ARG A 22 -4.409 -2.265 20.932 1.00 25.00 H new ATOM 0 HH11 ARG A 22 -2.132 -3.415 18.458 1.00 25.00 H new ATOM 0 HH12 ARG A 22 -1.373 -4.544 19.585 1.00 25.00 H new ATOM 0 HH21 ARG A 22 -3.372 -3.694 22.268 1.00 25.00 H new ATOM 0 HH22 ARG A 22 -2.049 -4.695 21.661 1.00 25.00 H new ATOM 401 N GLY A 23 -5.557 2.602 21.426 1.00 25.00 N ATOM 402 CA GLY A 23 -5.078 3.411 22.538 1.00 25.00 C ATOM 403 C GLY A 23 -3.708 3.995 22.256 1.00 25.00 C ATOM 404 O GLY A 23 -3.086 4.614 23.115 1.00 25.00 O ATOM 0 H GLY A 23 -6.215 3.080 20.811 1.00 25.00 H new ATOM 0 HA2 GLY A 23 -5.785 4.218 22.732 1.00 25.00 H new ATOM 0 HA3 GLY A 23 -5.035 2.801 23.440 1.00 25.00 H new ATOM 408 N VAL A 24 -3.229 3.782 21.041 1.00 25.00 N ATOM 409 CA VAL A 24 -1.888 4.201 20.648 1.00 25.00 C ATOM 410 C VAL A 24 -2.000 5.434 19.762 1.00 25.00 C ATOM 411 O VAL A 24 -2.463 5.365 18.625 1.00 25.00 O ATOM 412 CB VAL A 24 -1.149 3.042 19.911 1.00 25.00 C ATOM 413 CG1 VAL A 24 0.260 3.460 19.508 1.00 25.00 C ATOM 414 CG2 VAL A 24 -1.076 1.799 20.814 1.00 25.00 C ATOM 0 H VAL A 24 -3.754 3.316 20.301 1.00 25.00 H new ATOM 0 HA VAL A 24 -1.303 4.450 21.533 1.00 25.00 H new ATOM 0 HB VAL A 24 -1.714 2.805 19.009 1.00 25.00 H new ATOM 0 HG11 VAL A 24 0.752 2.633 18.996 1.00 25.00 H new ATOM 0 HG12 VAL A 24 0.207 4.320 18.841 1.00 25.00 H new ATOM 0 HG13 VAL A 24 0.829 3.726 20.399 1.00 25.00 H new ATOM 0 HG21 VAL A 24 -0.558 0.997 20.288 1.00 25.00 H new ATOM 0 HG22 VAL A 24 -0.533 2.044 21.727 1.00 25.00 H new ATOM 0 HG23 VAL A 24 -2.085 1.474 21.068 1.00 25.00 H new ATOM 424 N LYS A 25 -1.617 6.583 20.304 1.00 25.00 N ATOM 425 CA LYS A 25 -1.735 7.848 19.574 1.00 25.00 C ATOM 426 C LYS A 25 -0.534 8.066 18.658 1.00 25.00 C ATOM 427 O LYS A 25 0.402 8.779 18.999 1.00 25.00 O ATOM 428 CB LYS A 25 -1.865 9.018 20.555 1.00 25.00 C ATOM 429 CG LYS A 25 -3.154 8.971 21.387 1.00 25.00 C ATOM 430 CD LYS A 25 -3.263 10.153 22.357 1.00 25.00 C ATOM 431 CE LYS A 25 -3.600 11.465 21.638 1.00 25.00 C ATOM 432 NZ LYS A 25 -3.749 12.600 22.617 1.00 25.00 N ATOM 0 H LYS A 25 -1.224 6.670 21.241 1.00 25.00 H new ATOM 0 HA LYS A 25 -2.632 7.799 18.957 1.00 25.00 H new ATOM 0 HB2 LYS A 25 -1.007 9.017 21.227 1.00 25.00 H new ATOM 0 HB3 LYS A 25 -1.833 9.955 19.999 1.00 25.00 H new ATOM 0 HG2 LYS A 25 -4.015 8.971 20.719 1.00 25.00 H new ATOM 0 HG3 LYS A 25 -3.187 8.038 21.949 1.00 25.00 H new ATOM 0 HD2 LYS A 25 -4.031 9.941 23.100 1.00 25.00 H new ATOM 0 HD3 LYS A 25 -2.322 10.267 22.895 1.00 25.00 H new ATOM 0 HE2 LYS A 25 -2.815 11.701 20.920 1.00 25.00 H new ATOM 0 HE3 LYS A 25 -4.524 11.346 21.072 1.00 25.00 H new ATOM 0 HZ1 LYS A 25 -3.977 13.475 22.102 1.00 25.00 H new ATOM 0 HZ2 LYS A 25 -4.515 12.383 23.286 1.00 25.00 H new ATOM 0 HZ3 LYS A 25 -2.859 12.727 23.139 1.00 25.00 H new ATOM 446 N VAL A 26 -0.609 7.483 17.474 1.00 25.00 N ATOM 447 CA VAL A 26 0.409 7.634 16.434 1.00 25.00 C ATOM 448 C VAL A 26 -0.366 8.101 15.209 1.00 25.00 C ATOM 449 O VAL A 26 -1.464 7.615 14.958 1.00 25.00 O ATOM 450 CB VAL A 26 1.143 6.273 16.183 1.00 25.00 C ATOM 451 CG1 VAL A 26 1.987 6.313 14.919 1.00 25.00 C ATOM 452 CG2 VAL A 26 2.048 5.935 17.378 1.00 25.00 C ATOM 0 H VAL A 26 -1.386 6.883 17.199 1.00 25.00 H new ATOM 0 HA VAL A 26 1.192 8.342 16.704 1.00 25.00 H new ATOM 0 HB VAL A 26 0.377 5.507 16.062 1.00 25.00 H new ATOM 0 HG11 VAL A 26 2.480 5.351 14.780 1.00 25.00 H new ATOM 0 HG12 VAL A 26 1.348 6.521 14.061 1.00 25.00 H new ATOM 0 HG13 VAL A 26 2.740 7.096 15.009 1.00 25.00 H new ATOM 0 HG21 VAL A 26 2.554 4.987 17.195 1.00 25.00 H new ATOM 0 HG22 VAL A 26 2.790 6.723 17.507 1.00 25.00 H new ATOM 0 HG23 VAL A 26 1.443 5.854 18.281 1.00 25.00 H new ATOM 462 N LYS A 27 0.141 9.098 14.493 1.00 25.00 N ATOM 463 CA LYS A 27 -0.596 9.644 13.348 1.00 25.00 C ATOM 464 C LYS A 27 -0.581 8.656 12.186 1.00 25.00 C ATOM 465 O LYS A 27 0.306 7.817 12.087 1.00 25.00 O ATOM 466 CB LYS A 27 -0.046 11.018 12.920 1.00 25.00 C ATOM 467 CG LYS A 27 1.418 11.047 12.475 1.00 25.00 C ATOM 468 CD LYS A 27 1.828 12.479 12.087 1.00 25.00 C ATOM 469 CE LYS A 27 3.263 12.567 11.536 1.00 25.00 C ATOM 470 NZ LYS A 27 4.327 12.367 12.583 1.00 25.00 N ATOM 0 H LYS A 27 1.041 9.541 14.676 1.00 25.00 H new ATOM 0 HA LYS A 27 -1.630 9.796 13.656 1.00 25.00 H new ATOM 0 HB2 LYS A 27 -0.661 11.394 12.102 1.00 25.00 H new ATOM 0 HB3 LYS A 27 -0.165 11.710 13.753 1.00 25.00 H new ATOM 0 HG2 LYS A 27 2.057 10.683 13.279 1.00 25.00 H new ATOM 0 HG3 LYS A 27 1.561 10.378 11.627 1.00 25.00 H new ATOM 0 HD2 LYS A 27 1.133 12.859 11.338 1.00 25.00 H new ATOM 0 HD3 LYS A 27 1.740 13.125 12.960 1.00 25.00 H new ATOM 0 HE2 LYS A 27 3.389 11.818 10.755 1.00 25.00 H new ATOM 0 HE3 LYS A 27 3.404 13.542 11.069 1.00 25.00 H new ATOM 0 HZ1 LYS A 27 5.263 12.355 12.129 1.00 25.00 H new ATOM 0 HZ2 LYS A 27 4.287 13.145 13.272 1.00 25.00 H new ATOM 0 HZ3 LYS A 27 4.167 11.463 13.072 1.00 25.00 H new ATOM 484 N PHE A 28 -1.556 8.782 11.298 1.00 25.00 N ATOM 485 CA PHE A 28 -1.688 7.885 10.146 1.00 25.00 C ATOM 486 C PHE A 28 -0.432 7.835 9.303 1.00 25.00 C ATOM 487 O PHE A 28 -0.003 6.765 8.910 1.00 25.00 O ATOM 488 CB PHE A 28 -2.834 8.366 9.247 1.00 25.00 C ATOM 489 CG PHE A 28 -4.092 7.574 9.398 1.00 25.00 C ATOM 490 CD1 PHE A 28 -4.897 7.723 10.538 1.00 25.00 C ATOM 491 CD2 PHE A 28 -4.490 6.675 8.393 1.00 25.00 C ATOM 492 CE1 PHE A 28 -6.078 6.972 10.684 1.00 25.00 C ATOM 493 CE2 PHE A 28 -5.667 5.913 8.530 1.00 25.00 C ATOM 494 CZ PHE A 28 -6.460 6.060 9.677 1.00 25.00 C ATOM 0 H PHE A 28 -2.277 9.502 11.349 1.00 25.00 H new ATOM 0 HA PHE A 28 -1.881 6.889 10.545 1.00 25.00 H new ATOM 0 HB2 PHE A 28 -3.045 9.412 9.471 1.00 25.00 H new ATOM 0 HB3 PHE A 28 -2.511 8.322 8.207 1.00 25.00 H new ATOM 0 HD1 PHE A 28 -4.607 8.420 11.310 1.00 25.00 H new ATOM 0 HD2 PHE A 28 -3.886 6.567 7.504 1.00 25.00 H new ATOM 0 HE1 PHE A 28 -6.691 7.093 11.565 1.00 25.00 H new ATOM 0 HE2 PHE A 28 -5.957 5.219 7.755 1.00 25.00 H new ATOM 0 HZ PHE A 28 -7.362 5.476 9.790 1.00 25.00 H new ATOM 504 N ALA A 29 0.159 8.994 9.047 1.00 25.00 N ATOM 505 CA ALA A 29 1.358 9.072 8.223 1.00 25.00 C ATOM 506 C ALA A 29 2.480 8.203 8.794 1.00 25.00 C ATOM 507 O ALA A 29 3.223 7.584 8.051 1.00 25.00 O ATOM 508 CB ALA A 29 1.818 10.529 8.116 1.00 25.00 C ATOM 0 H ALA A 29 -0.172 9.893 9.398 1.00 25.00 H new ATOM 0 HA ALA A 29 1.117 8.695 7.229 1.00 25.00 H new ATOM 0 HB1 ALA A 29 2.715 10.583 7.499 1.00 25.00 H new ATOM 0 HB2 ALA A 29 1.028 11.127 7.662 1.00 25.00 H new ATOM 0 HB3 ALA A 29 2.039 10.915 9.111 1.00 25.00 H new ATOM 514 N ASP A 30 2.586 8.153 10.113 1.00 25.00 N ATOM 515 CA ASP A 30 3.640 7.371 10.748 1.00 25.00 C ATOM 516 C ASP A 30 3.276 5.898 10.724 1.00 25.00 C ATOM 517 O ASP A 30 4.103 5.061 10.409 1.00 25.00 O ATOM 518 CB ASP A 30 3.831 7.775 12.211 1.00 25.00 C ATOM 519 CG ASP A 30 4.402 9.162 12.375 1.00 25.00 C ATOM 520 OD1 ASP A 30 4.857 9.773 11.389 1.00 25.00 O ATOM 521 OD2 ASP A 30 4.288 9.701 13.499 1.00 25.00 O ATOM 0 H ASP A 30 1.964 8.638 10.760 1.00 25.00 H new ATOM 0 HA ASP A 30 4.560 7.558 10.194 1.00 25.00 H new ATOM 0 HB2 ASP A 30 2.871 7.721 12.724 1.00 25.00 H new ATOM 0 HB3 ASP A 30 4.492 7.057 12.696 1.00 25.00 H new ATOM 526 N LEU A 31 2.045 5.569 11.096 1.00 25.00 N ATOM 527 CA LEU A 31 1.671 4.161 11.225 1.00 25.00 C ATOM 528 C LEU A 31 1.650 3.458 9.876 1.00 25.00 C ATOM 529 O LEU A 31 2.285 2.419 9.688 1.00 25.00 O ATOM 530 CB LEU A 31 0.324 3.992 11.932 1.00 25.00 C ATOM 531 CG LEU A 31 0.394 2.954 13.074 1.00 25.00 C ATOM 532 CD1 LEU A 31 -0.928 2.876 13.797 1.00 25.00 C ATOM 533 CD2 LEU A 31 0.765 1.551 12.577 1.00 25.00 C ATOM 0 H LEU A 31 1.304 6.236 11.309 1.00 25.00 H new ATOM 0 HA LEU A 31 2.438 3.692 11.842 1.00 25.00 H new ATOM 0 HB2 LEU A 31 0.003 4.953 12.335 1.00 25.00 H new ATOM 0 HB3 LEU A 31 -0.429 3.683 11.207 1.00 25.00 H new ATOM 0 HG LEU A 31 1.179 3.294 13.749 1.00 25.00 H new ATOM 0 HD11 LEU A 31 -0.862 2.140 14.598 1.00 25.00 H new ATOM 0 HD12 LEU A 31 -1.170 3.851 14.219 1.00 25.00 H new ATOM 0 HD13 LEU A 31 -1.709 2.580 13.097 1.00 25.00 H new ATOM 0 HD21 LEU A 31 0.800 0.863 13.422 1.00 25.00 H new ATOM 0 HD22 LEU A 31 0.018 1.209 11.861 1.00 25.00 H new ATOM 0 HD23 LEU A 31 1.742 1.582 12.095 1.00 25.00 H new ATOM 545 N LEU A 32 0.950 4.043 8.920 1.00 25.00 N ATOM 546 CA LEU A 32 0.898 3.474 7.572 1.00 25.00 C ATOM 547 C LEU A 32 2.247 3.468 6.879 1.00 25.00 C ATOM 548 O LEU A 32 2.450 2.694 5.963 1.00 25.00 O ATOM 549 CB LEU A 32 -0.109 4.195 6.675 1.00 25.00 C ATOM 550 CG LEU A 32 -1.587 3.787 6.793 1.00 25.00 C ATOM 551 CD1 LEU A 32 -1.799 2.280 6.661 1.00 25.00 C ATOM 552 CD2 LEU A 32 -2.166 4.269 8.082 1.00 25.00 C ATOM 0 H LEU A 32 0.413 4.902 9.043 1.00 25.00 H new ATOM 0 HA LEU A 32 0.577 2.443 7.720 1.00 25.00 H new ATOM 0 HB2 LEU A 32 -0.038 5.263 6.881 1.00 25.00 H new ATOM 0 HB3 LEU A 32 0.198 4.049 5.640 1.00 25.00 H new ATOM 0 HG LEU A 32 -2.104 4.261 5.959 1.00 25.00 H new ATOM 0 HD11 LEU A 32 -2.861 2.053 6.753 1.00 25.00 H new ATOM 0 HD12 LEU A 32 -1.439 1.946 5.688 1.00 25.00 H new ATOM 0 HD13 LEU A 32 -1.248 1.765 7.448 1.00 25.00 H new ATOM 0 HD21 LEU A 32 -3.212 3.970 8.145 1.00 25.00 H new ATOM 0 HD22 LEU A 32 -1.613 3.834 8.914 1.00 25.00 H new ATOM 0 HD23 LEU A 32 -2.096 5.356 8.129 1.00 25.00 H new ATOM 564 N LYS A 33 3.196 4.281 7.316 1.00 25.00 N ATOM 565 CA LYS A 33 4.539 4.204 6.719 1.00 25.00 C ATOM 566 C LYS A 33 5.159 2.824 6.969 1.00 25.00 C ATOM 567 O LYS A 33 5.879 2.302 6.133 1.00 25.00 O ATOM 568 CB LYS A 33 5.477 5.312 7.227 1.00 25.00 C ATOM 569 CG LYS A 33 6.924 5.196 6.693 1.00 25.00 C ATOM 570 CD LYS A 33 7.002 5.299 5.138 1.00 25.00 C ATOM 571 CE LYS A 33 8.299 4.699 4.589 1.00 25.00 C ATOM 572 NZ LYS A 33 8.292 4.658 3.072 1.00 25.00 N ATOM 0 H LYS A 33 3.080 4.978 8.051 1.00 25.00 H new ATOM 0 HA LYS A 33 4.418 4.356 5.646 1.00 25.00 H new ATOM 0 HB2 LYS A 33 5.070 6.281 6.939 1.00 25.00 H new ATOM 0 HB3 LYS A 33 5.498 5.286 8.316 1.00 25.00 H new ATOM 0 HG2 LYS A 33 7.535 5.983 7.136 1.00 25.00 H new ATOM 0 HG3 LYS A 33 7.349 4.244 7.012 1.00 25.00 H new ATOM 0 HD2 LYS A 33 6.149 4.784 4.697 1.00 25.00 H new ATOM 0 HD3 LYS A 33 6.931 6.345 4.840 1.00 25.00 H new ATOM 0 HE2 LYS A 33 9.149 5.288 4.935 1.00 25.00 H new ATOM 0 HE3 LYS A 33 8.430 3.690 4.981 1.00 25.00 H new ATOM 0 HZ1 LYS A 33 9.120 4.126 2.735 1.00 25.00 H new ATOM 0 HZ2 LYS A 33 7.423 4.192 2.741 1.00 25.00 H new ATOM 0 HZ3 LYS A 33 8.329 5.628 2.698 1.00 25.00 H new ATOM 586 N PHE A 34 4.833 2.188 8.076 1.00 25.00 N ATOM 587 CA PHE A 34 5.341 0.841 8.329 1.00 25.00 C ATOM 588 C PHE A 34 4.581 -0.195 7.491 1.00 25.00 C ATOM 589 O PHE A 34 5.123 -1.238 7.140 1.00 25.00 O ATOM 590 CB PHE A 34 5.305 0.542 9.823 1.00 25.00 C ATOM 591 CG PHE A 34 6.383 1.270 10.584 1.00 25.00 C ATOM 592 CD1 PHE A 34 6.232 2.629 10.903 1.00 25.00 C ATOM 593 CD2 PHE A 34 7.577 0.618 10.939 1.00 25.00 C ATOM 594 CE1 PHE A 34 7.246 3.337 11.581 1.00 25.00 C ATOM 595 CE2 PHE A 34 8.609 1.319 11.615 1.00 25.00 C ATOM 596 CZ PHE A 34 8.438 2.683 11.935 1.00 25.00 C ATOM 0 H PHE A 34 4.231 2.567 8.807 1.00 25.00 H new ATOM 0 HA PHE A 34 6.383 0.781 8.015 1.00 25.00 H new ATOM 0 HB2 PHE A 34 4.330 0.822 10.223 1.00 25.00 H new ATOM 0 HB3 PHE A 34 5.417 -0.531 9.978 1.00 25.00 H new ATOM 0 HD1 PHE A 34 5.323 3.141 10.624 1.00 25.00 H new ATOM 0 HD2 PHE A 34 7.710 -0.426 10.695 1.00 25.00 H new ATOM 0 HE1 PHE A 34 7.107 4.379 11.827 1.00 25.00 H new ATOM 0 HE2 PHE A 34 9.523 0.810 11.884 1.00 25.00 H new ATOM 0 HZ PHE A 34 9.220 3.222 12.450 1.00 25.00 H new ATOM 606 N PHE A 35 3.360 0.136 7.093 1.00 25.00 N ATOM 607 CA PHE A 35 2.588 -0.718 6.178 1.00 25.00 C ATOM 608 C PHE A 35 3.162 -0.509 4.764 1.00 25.00 C ATOM 609 O PHE A 35 3.018 -1.336 3.888 1.00 25.00 O ATOM 610 CB PHE A 35 1.090 -0.354 6.164 1.00 25.00 C ATOM 611 CG PHE A 35 0.323 -0.703 7.441 1.00 25.00 C ATOM 612 CD1 PHE A 35 0.854 -0.488 8.737 1.00 25.00 C ATOM 613 CD2 PHE A 35 -0.979 -1.230 7.336 1.00 25.00 C ATOM 614 CE1 PHE A 35 0.102 -0.802 9.889 1.00 25.00 C ATOM 615 CE2 PHE A 35 -1.741 -1.539 8.492 1.00 25.00 C ATOM 616 CZ PHE A 35 -1.196 -1.319 9.768 1.00 25.00 C ATOM 0 H PHE A 35 2.877 0.986 7.384 1.00 25.00 H new ATOM 0 HA PHE A 35 2.668 -1.753 6.509 1.00 25.00 H new ATOM 0 HB2 PHE A 35 0.994 0.717 5.983 1.00 25.00 H new ATOM 0 HB3 PHE A 35 0.617 -0.863 5.324 1.00 25.00 H new ATOM 0 HD1 PHE A 35 1.847 -0.078 8.845 1.00 25.00 H new ATOM 0 HD2 PHE A 35 -1.405 -1.402 6.358 1.00 25.00 H new ATOM 0 HE1 PHE A 35 0.528 -0.643 10.869 1.00 25.00 H new ATOM 0 HE2 PHE A 35 -2.738 -1.942 8.391 1.00 25.00 H new ATOM 0 HZ PHE A 35 -1.774 -1.547 10.651 1.00 25.00 H new ATOM 626 N ASP A 36 3.819 0.616 4.550 1.00 25.00 N ATOM 627 CA ASP A 36 4.454 0.908 3.267 1.00 25.00 C ATOM 628 C ASP A 36 5.795 0.177 3.196 1.00 25.00 C ATOM 629 O ASP A 36 6.193 -0.325 2.156 1.00 25.00 O ATOM 630 CB ASP A 36 4.658 2.417 3.145 1.00 25.00 C ATOM 631 CG ASP A 36 5.042 2.841 1.765 1.00 25.00 C ATOM 632 OD1 ASP A 36 4.228 2.654 0.838 1.00 25.00 O ATOM 633 OD2 ASP A 36 6.090 3.511 1.631 1.00 25.00 O ATOM 0 H ASP A 36 3.930 1.350 5.249 1.00 25.00 H new ATOM 0 HA ASP A 36 3.824 0.569 2.445 1.00 25.00 H new ATOM 0 HB2 ASP A 36 3.739 2.927 3.434 1.00 25.00 H new ATOM 0 HB3 ASP A 36 5.432 2.732 3.845 1.00 25.00 H new ATOM 638 N PHE A 37 6.453 0.079 4.341 1.00 25.00 N ATOM 639 CA PHE A 37 7.744 -0.599 4.450 1.00 25.00 C ATOM 640 C PHE A 37 7.638 -2.091 4.121 1.00 25.00 C ATOM 641 O PHE A 37 8.508 -2.644 3.463 1.00 25.00 O ATOM 642 CB PHE A 37 8.296 -0.399 5.868 1.00 25.00 C ATOM 643 CG PHE A 37 9.722 -0.848 6.037 1.00 25.00 C ATOM 644 CD1 PHE A 37 10.782 -0.069 5.533 1.00 25.00 C ATOM 645 CD2 PHE A 37 10.019 -2.044 6.717 1.00 25.00 C ATOM 646 CE1 PHE A 37 12.129 -0.481 5.699 1.00 25.00 C ATOM 647 CE2 PHE A 37 11.364 -2.466 6.890 1.00 25.00 C ATOM 648 CZ PHE A 37 12.418 -1.681 6.379 1.00 25.00 C ATOM 0 H PHE A 37 6.112 0.465 5.221 1.00 25.00 H new ATOM 0 HA PHE A 37 8.425 -0.162 3.720 1.00 25.00 H new ATOM 0 HB2 PHE A 37 8.225 0.657 6.129 1.00 25.00 H new ATOM 0 HB3 PHE A 37 7.668 -0.945 6.572 1.00 25.00 H new ATOM 0 HD1 PHE A 37 10.566 0.853 5.014 1.00 25.00 H new ATOM 0 HD2 PHE A 37 9.215 -2.648 7.112 1.00 25.00 H new ATOM 0 HE1 PHE A 37 12.932 0.124 5.305 1.00 25.00 H new ATOM 0 HE2 PHE A 37 11.579 -3.387 7.412 1.00 25.00 H new ATOM 0 HZ PHE A 37 13.442 -1.998 6.508 1.00 25.00 H new ATOM 658 N VAL A 38 6.556 -2.743 4.531 1.00 25.00 N ATOM 659 CA VAL A 38 6.378 -4.166 4.204 1.00 25.00 C ATOM 660 C VAL A 38 6.213 -4.372 2.695 1.00 25.00 C ATOM 661 O VAL A 38 6.669 -5.371 2.173 1.00 25.00 O ATOM 662 CB VAL A 38 5.201 -4.841 5.008 1.00 25.00 C ATOM 663 CG1 VAL A 38 3.969 -4.000 5.017 1.00 25.00 C ATOM 664 CG2 VAL A 38 4.853 -6.238 4.458 1.00 25.00 C ATOM 0 H VAL A 38 5.801 -2.328 5.078 1.00 25.00 H new ATOM 0 HA VAL A 38 7.291 -4.671 4.519 1.00 25.00 H new ATOM 0 HB VAL A 38 5.564 -4.942 6.031 1.00 25.00 H new ATOM 0 HG11 VAL A 38 3.187 -4.507 5.582 1.00 25.00 H new ATOM 0 HG12 VAL A 38 4.188 -3.039 5.482 1.00 25.00 H new ATOM 0 HG13 VAL A 38 3.631 -3.839 3.993 1.00 25.00 H new ATOM 0 HG21 VAL A 38 4.038 -6.666 5.041 1.00 25.00 H new ATOM 0 HG22 VAL A 38 4.547 -6.153 3.415 1.00 25.00 H new ATOM 0 HG23 VAL A 38 5.728 -6.885 4.528 1.00 25.00 H new ATOM 674 N LYS A 39 5.629 -3.422 1.973 1.00 25.00 N ATOM 675 CA LYS A 39 5.536 -3.566 0.507 1.00 25.00 C ATOM 676 C LYS A 39 6.941 -3.647 -0.070 1.00 25.00 C ATOM 677 O LYS A 39 7.201 -4.423 -0.984 1.00 25.00 O ATOM 678 CB LYS A 39 4.783 -2.387 -0.147 1.00 25.00 C ATOM 679 CG LYS A 39 4.612 -2.524 -1.690 1.00 25.00 C ATOM 680 CD LYS A 39 5.768 -1.855 -2.496 1.00 25.00 C ATOM 681 CE LYS A 39 6.057 -2.606 -3.814 1.00 25.00 C ATOM 682 NZ LYS A 39 7.311 -2.110 -4.511 1.00 25.00 N ATOM 0 H LYS A 39 5.222 -2.567 2.353 1.00 25.00 H new ATOM 0 HA LYS A 39 4.974 -4.475 0.293 1.00 25.00 H new ATOM 0 HB2 LYS A 39 3.798 -2.299 0.311 1.00 25.00 H new ATOM 0 HB3 LYS A 39 5.319 -1.462 0.069 1.00 25.00 H new ATOM 0 HG2 LYS A 39 4.559 -3.581 -1.951 1.00 25.00 H new ATOM 0 HG3 LYS A 39 3.664 -2.075 -1.986 1.00 25.00 H new ATOM 0 HD2 LYS A 39 5.506 -0.820 -2.717 1.00 25.00 H new ATOM 0 HD3 LYS A 39 6.671 -1.831 -1.885 1.00 25.00 H new ATOM 0 HE2 LYS A 39 6.160 -3.671 -3.605 1.00 25.00 H new ATOM 0 HE3 LYS A 39 5.205 -2.494 -4.485 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 7.456 -2.648 -5.389 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 7.206 -1.100 -4.737 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 8.131 -2.241 -3.885 1.00 25.00 H new ATOM 696 N ASP A 40 7.821 -2.808 0.449 1.00 25.00 N ATOM 697 CA ASP A 40 9.182 -2.704 -0.062 1.00 25.00 C ATOM 698 C ASP A 40 10.013 -3.950 0.257 1.00 25.00 C ATOM 699 O ASP A 40 10.581 -4.569 -0.633 1.00 25.00 O ATOM 700 CB ASP A 40 9.844 -1.460 0.536 1.00 25.00 C ATOM 701 CG ASP A 40 11.033 -0.992 -0.270 1.00 25.00 C ATOM 702 OD1 ASP A 40 10.900 -0.882 -1.508 1.00 25.00 O ATOM 703 OD2 ASP A 40 12.068 -0.654 0.338 1.00 25.00 O ATOM 0 H ASP A 40 7.618 -2.184 1.230 1.00 25.00 H new ATOM 0 HA ASP A 40 9.135 -2.621 -1.148 1.00 25.00 H new ATOM 0 HB2 ASP A 40 9.111 -0.656 0.596 1.00 25.00 H new ATOM 0 HB3 ASP A 40 10.163 -1.677 1.555 1.00 25.00 H new ATOM 708 N THR A 41 10.059 -4.338 1.525 1.00 25.00 N ATOM 709 CA THR A 41 10.849 -5.504 1.936 1.00 25.00 C ATOM 710 C THR A 41 10.223 -6.825 1.482 1.00 25.00 C ATOM 711 O THR A 41 10.906 -7.826 1.294 1.00 25.00 O ATOM 712 CB THR A 41 10.993 -5.549 3.469 1.00 25.00 C ATOM 713 OG1 THR A 41 11.062 -4.216 3.978 1.00 25.00 O ATOM 714 CG2 THR A 41 12.254 -6.280 3.878 1.00 25.00 C ATOM 0 H THR A 41 9.565 -3.871 2.285 1.00 25.00 H new ATOM 0 HA THR A 41 11.823 -5.393 1.459 1.00 25.00 H new ATOM 0 HB THR A 41 10.128 -6.075 3.874 1.00 25.00 H new ATOM 0 HG1 THR A 41 11.152 -4.243 4.954 1.00 25.00 H new ATOM 0 HG21 THR A 41 12.329 -6.296 4.965 1.00 25.00 H new ATOM 0 HG22 THR A 41 12.220 -7.302 3.502 1.00 25.00 H new ATOM 0 HG23 THR A 41 13.122 -5.769 3.462 1.00 25.00 H new ATOM 722 N CYS A 42 8.910 -6.829 1.329 1.00 25.00 N ATOM 723 CA CYS A 42 8.177 -8.018 0.904 1.00 25.00 C ATOM 724 C CYS A 42 7.320 -7.728 -0.332 1.00 25.00 C ATOM 725 O CYS A 42 6.096 -7.616 -0.226 1.00 25.00 O ATOM 726 CB CYS A 42 7.263 -8.507 2.035 1.00 25.00 C ATOM 727 SG CYS A 42 8.120 -8.866 3.569 1.00 25.00 S ATOM 0 H CYS A 42 8.320 -6.013 1.494 1.00 25.00 H new ATOM 0 HA CYS A 42 8.909 -8.786 0.656 1.00 25.00 H new ATOM 0 HB2 CYS A 42 6.502 -7.750 2.225 1.00 25.00 H new ATOM 0 HB3 CYS A 42 6.743 -9.406 1.704 1.00 25.00 H new ATOM 0 HG CYS A 42 9.293 -9.360 3.305 1.00 25.00 H new ATOM 733 N PRO A 43 7.927 -7.684 -1.532 1.00 25.00 N ATOM 734 CA PRO A 43 7.114 -7.419 -2.730 1.00 25.00 C ATOM 735 C PRO A 43 6.189 -8.592 -3.063 1.00 25.00 C ATOM 736 O PRO A 43 5.215 -8.466 -3.810 1.00 25.00 O ATOM 737 CB PRO A 43 8.170 -7.199 -3.816 1.00 25.00 C ATOM 738 CG PRO A 43 9.325 -8.034 -3.376 1.00 25.00 C ATOM 739 CD PRO A 43 9.351 -7.881 -1.874 1.00 25.00 C ATOM 0 HA PRO A 43 6.440 -6.571 -2.610 1.00 25.00 H new ATOM 0 HB2 PRO A 43 7.805 -7.508 -4.795 1.00 25.00 H new ATOM 0 HB3 PRO A 43 8.446 -6.148 -3.896 1.00 25.00 H new ATOM 0 HG2 PRO A 43 9.195 -9.076 -3.667 1.00 25.00 H new ATOM 0 HG3 PRO A 43 10.257 -7.692 -3.826 1.00 25.00 H new ATOM 0 HD2 PRO A 43 9.764 -8.764 -1.386 1.00 25.00 H new ATOM 0 HD3 PRO A 43 9.961 -7.032 -1.566 1.00 25.00 H new ATOM 747 N TRP A 44 6.461 -9.733 -2.452 1.00 25.00 N ATOM 748 CA TRP A 44 5.613 -10.904 -2.591 1.00 25.00 C ATOM 749 C TRP A 44 4.388 -10.851 -1.679 1.00 25.00 C ATOM 750 O TRP A 44 3.440 -11.597 -1.894 1.00 25.00 O ATOM 751 CB TRP A 44 6.427 -12.162 -2.311 1.00 25.00 C ATOM 752 CG TRP A 44 7.495 -11.928 -1.302 1.00 25.00 C ATOM 753 CD1 TRP A 44 7.333 -11.677 0.013 1.00 25.00 C ATOM 754 CD2 TRP A 44 8.920 -11.908 -1.524 1.00 25.00 C ATOM 755 NE1 TRP A 44 8.529 -11.513 0.649 1.00 25.00 N ATOM 756 CE2 TRP A 44 9.536 -11.645 -0.265 1.00 25.00 C ATOM 757 CE3 TRP A 44 9.739 -12.073 -2.660 1.00 25.00 C ATOM 758 CZ2 TRP A 44 10.931 -11.550 -0.115 1.00 25.00 C ATOM 759 CZ3 TRP A 44 11.146 -11.976 -2.512 1.00 25.00 C ATOM 760 CH2 TRP A 44 11.725 -11.715 -1.235 1.00 25.00 C ATOM 0 H TRP A 44 7.272 -9.873 -1.849 1.00 25.00 H new ATOM 0 HA TRP A 44 5.243 -10.922 -3.616 1.00 25.00 H new ATOM 0 HB2 TRP A 44 5.763 -12.951 -1.958 1.00 25.00 H new ATOM 0 HB3 TRP A 44 6.877 -12.515 -3.239 1.00 25.00 H new ATOM 0 HD1 TRP A 44 6.373 -11.613 0.503 1.00 25.00 H new ATOM 0 HE1 TRP A 44 8.651 -11.323 1.644 1.00 25.00 H new ATOM 0 HE3 TRP A 44 9.302 -12.270 -3.628 1.00 25.00 H new ATOM 0 HZ2 TRP A 44 11.371 -11.353 0.851 1.00 25.00 H new ATOM 0 HZ3 TRP A 44 11.785 -12.101 -3.374 1.00 25.00 H new ATOM 0 HH2 TRP A 44 12.799 -11.645 -1.141 1.00 25.00 H new ATOM 771 N PHE A 45 4.375 -9.963 -0.693 1.00 25.00 N ATOM 772 CA PHE A 45 3.217 -9.850 0.201 1.00 25.00 C ATOM 773 C PHE A 45 1.976 -9.342 -0.560 1.00 25.00 C ATOM 774 O PHE A 45 0.947 -10.026 -0.563 1.00 25.00 O ATOM 775 CB PHE A 45 3.545 -8.966 1.416 1.00 25.00 C ATOM 776 CG PHE A 45 2.459 -8.933 2.458 1.00 25.00 C ATOM 777 CD1 PHE A 45 2.342 -9.976 3.397 1.00 25.00 C ATOM 778 CD2 PHE A 45 1.553 -7.855 2.517 1.00 25.00 C ATOM 779 CE1 PHE A 45 1.338 -9.944 4.397 1.00 25.00 C ATOM 780 CE2 PHE A 45 0.544 -7.812 3.515 1.00 25.00 C ATOM 781 CZ PHE A 45 0.443 -8.857 4.458 1.00 25.00 C ATOM 0 H PHE A 45 5.138 -9.317 -0.489 1.00 25.00 H new ATOM 0 HA PHE A 45 2.979 -10.845 0.577 1.00 25.00 H new ATOM 0 HB2 PHE A 45 4.466 -9.325 1.876 1.00 25.00 H new ATOM 0 HB3 PHE A 45 3.736 -7.949 1.072 1.00 25.00 H new ATOM 0 HD1 PHE A 45 3.026 -10.811 3.355 1.00 25.00 H new ATOM 0 HD2 PHE A 45 1.627 -7.054 1.796 1.00 25.00 H new ATOM 0 HE1 PHE A 45 1.259 -10.751 5.111 1.00 25.00 H new ATOM 0 HE2 PHE A 45 -0.145 -6.981 3.552 1.00 25.00 H new ATOM 0 HZ PHE A 45 -0.318 -8.824 5.224 1.00 25.00 H new ATOM 791 N PRO A 46 2.069 -8.197 -1.283 1.00 25.00 N ATOM 792 CA PRO A 46 0.850 -7.882 -2.039 1.00 25.00 C ATOM 793 C PRO A 46 0.610 -8.814 -3.227 1.00 25.00 C ATOM 794 O PRO A 46 -0.513 -8.957 -3.681 1.00 25.00 O ATOM 795 CB PRO A 46 1.105 -6.447 -2.513 1.00 25.00 C ATOM 796 CG PRO A 46 2.566 -6.372 -2.667 1.00 25.00 C ATOM 797 CD PRO A 46 3.100 -7.156 -1.498 1.00 25.00 C ATOM 0 HA PRO A 46 -0.046 -8.002 -1.429 1.00 25.00 H new ATOM 0 HB2 PRO A 46 0.594 -6.242 -3.454 1.00 25.00 H new ATOM 0 HB3 PRO A 46 0.743 -5.718 -1.788 1.00 25.00 H new ATOM 0 HG2 PRO A 46 2.889 -6.801 -3.615 1.00 25.00 H new ATOM 0 HG3 PRO A 46 2.916 -5.340 -2.648 1.00 25.00 H new ATOM 0 HD2 PRO A 46 4.073 -7.594 -1.719 1.00 25.00 H new ATOM 0 HD3 PRO A 46 3.226 -6.527 -0.617 1.00 25.00 H new ATOM 805 N GLN A 47 1.659 -9.473 -3.708 1.00 25.00 N ATOM 806 CA GLN A 47 1.523 -10.395 -4.833 1.00 25.00 C ATOM 807 C GLN A 47 0.660 -11.606 -4.460 1.00 25.00 C ATOM 808 O GLN A 47 -0.114 -12.097 -5.276 1.00 25.00 O ATOM 809 CB GLN A 47 2.900 -10.870 -5.299 1.00 25.00 C ATOM 810 CG GLN A 47 2.860 -11.546 -6.666 1.00 25.00 C ATOM 811 CD GLN A 47 4.194 -12.113 -7.114 1.00 25.00 C ATOM 812 OE1 GLN A 47 5.215 -11.982 -6.307 1.00 25.00 O flip ATOM 813 NE2 GLN A 47 4.280 -12.690 -8.184 1.00 25.00 N flip ATOM 0 H GLN A 47 2.607 -9.388 -3.341 1.00 25.00 H new ATOM 0 HA GLN A 47 1.030 -9.858 -5.644 1.00 25.00 H new ATOM 0 HB2 GLN A 47 3.579 -10.018 -5.340 1.00 25.00 H new ATOM 0 HB3 GLN A 47 3.306 -11.567 -4.566 1.00 25.00 H new ATOM 0 HG2 GLN A 47 2.125 -12.351 -6.640 1.00 25.00 H new ATOM 0 HG3 GLN A 47 2.517 -10.824 -7.407 1.00 25.00 H new ATOM 0 HE21 GLN A 47 3.461 -12.772 -8.786 1.00 25.00 H new ATOM 0 HE22 GLN A 47 5.171 -13.091 -8.477 1.00 25.00 H new ATOM 822 N GLU A 48 0.798 -12.097 -3.235 1.00 25.00 N ATOM 823 CA GLU A 48 -0.035 -13.211 -2.778 1.00 25.00 C ATOM 824 C GLU A 48 -1.371 -12.671 -2.269 1.00 25.00 C ATOM 825 O GLU A 48 -2.398 -13.346 -2.361 1.00 25.00 O ATOM 826 CB GLU A 48 0.673 -14.020 -1.688 1.00 25.00 C ATOM 827 CG GLU A 48 1.917 -14.740 -2.207 1.00 25.00 C ATOM 828 CD GLU A 48 2.413 -15.823 -1.263 1.00 25.00 C ATOM 829 OE1 GLU A 48 2.484 -15.595 -0.037 1.00 25.00 O ATOM 830 OE2 GLU A 48 2.746 -16.925 -1.766 1.00 25.00 O ATOM 0 H GLU A 48 1.467 -11.751 -2.547 1.00 25.00 H new ATOM 0 HA GLU A 48 -0.215 -13.882 -3.618 1.00 25.00 H new ATOM 0 HB2 GLU A 48 0.956 -13.354 -0.873 1.00 25.00 H new ATOM 0 HB3 GLU A 48 -0.021 -14.752 -1.275 1.00 25.00 H new ATOM 0 HG2 GLU A 48 1.695 -15.185 -3.177 1.00 25.00 H new ATOM 0 HG3 GLU A 48 2.712 -14.012 -2.365 1.00 25.00 H new ATOM 837 N GLY A 49 -1.353 -11.443 -1.761 1.00 25.00 N ATOM 838 CA GLY A 49 -2.573 -10.766 -1.347 1.00 25.00 C ATOM 839 C GLY A 49 -3.373 -11.530 -0.312 1.00 25.00 C ATOM 840 O GLY A 49 -4.600 -11.520 -0.332 1.00 25.00 O ATOM 0 H GLY A 49 -0.503 -10.896 -1.626 1.00 25.00 H new ATOM 0 HA2 GLY A 49 -2.315 -9.787 -0.944 1.00 25.00 H new ATOM 0 HA3 GLY A 49 -3.198 -10.595 -2.223 1.00 25.00 H new ATOM 844 N THR A 50 -2.673 -12.238 0.559 1.00 25.00 N ATOM 845 CA THR A 50 -3.307 -13.070 1.575 1.00 25.00 C ATOM 846 C THR A 50 -2.785 -12.626 2.931 1.00 25.00 C ATOM 847 O THR A 50 -1.570 -12.538 3.129 1.00 25.00 O ATOM 848 CB THR A 50 -2.971 -14.552 1.347 1.00 25.00 C ATOM 849 OG1 THR A 50 -3.360 -14.938 0.026 1.00 25.00 O ATOM 850 CG2 THR A 50 -3.691 -15.448 2.342 1.00 25.00 C ATOM 0 H THR A 50 -1.653 -12.254 0.584 1.00 25.00 H new ATOM 0 HA THR A 50 -4.390 -12.960 1.524 1.00 25.00 H new ATOM 0 HB THR A 50 -1.896 -14.669 1.482 1.00 25.00 H new ATOM 0 HG1 THR A 50 -2.844 -14.425 -0.630 1.00 25.00 H new ATOM 0 HG21 THR A 50 -3.429 -16.489 2.150 1.00 25.00 H new ATOM 0 HG22 THR A 50 -3.393 -15.180 3.355 1.00 25.00 H new ATOM 0 HG23 THR A 50 -4.768 -15.319 2.235 1.00 25.00 H new ATOM 858 N ILE A 51 -3.692 -12.308 3.842 1.00 25.00 N ATOM 859 CA ILE A 51 -3.329 -11.738 5.136 1.00 25.00 C ATOM 860 C ILE A 51 -3.860 -12.620 6.260 1.00 25.00 C ATOM 861 O ILE A 51 -5.036 -12.620 6.602 1.00 25.00 O ATOM 862 CB ILE A 51 -3.853 -10.281 5.263 1.00 25.00 C ATOM 863 CG1 ILE A 51 -3.294 -9.438 4.095 1.00 25.00 C ATOM 864 CG2 ILE A 51 -3.434 -9.648 6.625 1.00 25.00 C ATOM 865 CD1 ILE A 51 -3.851 -8.056 4.006 1.00 25.00 C ATOM 0 H ILE A 51 -4.695 -12.436 3.709 1.00 25.00 H new ATOM 0 HA ILE A 51 -2.242 -11.702 5.214 1.00 25.00 H new ATOM 0 HB ILE A 51 -4.942 -10.296 5.223 1.00 25.00 H new ATOM 0 HG12 ILE A 51 -2.211 -9.373 4.196 1.00 25.00 H new ATOM 0 HG13 ILE A 51 -3.496 -9.958 3.159 1.00 25.00 H new ATOM 0 HG21 ILE A 51 -3.815 -8.628 6.685 1.00 25.00 H new ATOM 0 HG22 ILE A 51 -3.847 -10.238 7.443 1.00 25.00 H new ATOM 0 HG23 ILE A 51 -2.347 -9.634 6.701 1.00 25.00 H new ATOM 0 HD11 ILE A 51 -3.403 -7.537 3.158 1.00 25.00 H new ATOM 0 HD12 ILE A 51 -4.931 -8.107 3.870 1.00 25.00 H new ATOM 0 HD13 ILE A 51 -3.626 -7.513 4.924 1.00 25.00 H new ATOM 877 N ASP A 52 -2.943 -13.374 6.832 1.00 25.00 N ATOM 878 CA ASP A 52 -3.220 -14.268 7.945 1.00 25.00 C ATOM 879 C ASP A 52 -1.968 -14.194 8.782 1.00 25.00 C ATOM 880 O ASP A 52 -0.942 -13.717 8.307 1.00 25.00 O ATOM 881 CB ASP A 52 -3.438 -15.700 7.457 1.00 25.00 C ATOM 882 CG ASP A 52 -3.441 -16.702 8.585 1.00 25.00 C ATOM 883 OD1 ASP A 52 -4.179 -16.502 9.566 1.00 25.00 O ATOM 884 OD2 ASP A 52 -2.546 -17.573 8.583 1.00 25.00 O ATOM 0 H ASP A 52 -1.968 -13.385 6.534 1.00 25.00 H new ATOM 0 HA ASP A 52 -4.122 -13.988 8.489 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -4.386 -15.757 6.922 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -2.654 -15.961 6.746 1.00 25.00 H new ATOM 889 N ILE A 53 -2.022 -14.670 10.008 1.00 25.00 N ATOM 890 CA ILE A 53 -0.882 -14.614 10.894 1.00 25.00 C ATOM 891 C ILE A 53 0.285 -15.449 10.359 1.00 25.00 C ATOM 892 O ILE A 53 1.438 -15.082 10.535 1.00 25.00 O ATOM 893 CB ILE A 53 -1.320 -15.036 12.316 1.00 25.00 C ATOM 894 CG1 ILE A 53 -0.243 -14.694 13.360 1.00 25.00 C ATOM 895 CG2 ILE A 53 -1.678 -16.531 12.389 1.00 25.00 C ATOM 896 CD1 ILE A 53 0.088 -13.214 13.488 1.00 25.00 C ATOM 0 H ILE A 53 -2.851 -15.103 10.415 1.00 25.00 H new ATOM 0 HA ILE A 53 -0.511 -13.590 10.946 1.00 25.00 H new ATOM 0 HB ILE A 53 -2.219 -14.465 12.548 1.00 25.00 H new ATOM 0 HG12 ILE A 53 -0.572 -15.062 14.332 1.00 25.00 H new ATOM 0 HG13 ILE A 53 0.670 -15.234 13.107 1.00 25.00 H new ATOM 0 HG21 ILE A 53 -1.980 -16.784 13.405 1.00 25.00 H new ATOM 0 HG22 ILE A 53 -2.499 -16.742 11.704 1.00 25.00 H new ATOM 0 HG23 ILE A 53 -0.809 -17.127 12.110 1.00 25.00 H new ATOM 0 HD11 ILE A 53 0.857 -13.078 14.248 1.00 25.00 H new ATOM 0 HD12 ILE A 53 0.453 -12.839 12.532 1.00 25.00 H new ATOM 0 HD13 ILE A 53 -0.808 -12.664 13.776 1.00 25.00 H new ATOM 908 N LYS A 54 0.003 -16.523 9.632 1.00 25.00 N ATOM 909 CA LYS A 54 1.074 -17.338 9.038 1.00 25.00 C ATOM 910 C LYS A 54 1.771 -16.562 7.924 1.00 25.00 C ATOM 911 O LYS A 54 2.968 -16.712 7.711 1.00 25.00 O ATOM 912 CB LYS A 54 0.501 -18.654 8.497 1.00 25.00 C ATOM 913 CG LYS A 54 -0.072 -19.560 9.603 1.00 25.00 C ATOM 914 CD LYS A 54 -0.994 -20.657 9.056 1.00 25.00 C ATOM 915 CE LYS A 54 -0.236 -21.738 8.286 1.00 25.00 C ATOM 916 NZ LYS A 54 -1.185 -22.811 7.812 1.00 25.00 N ATOM 0 H LYS A 54 -0.942 -16.853 9.437 1.00 25.00 H new ATOM 0 HA LYS A 54 1.807 -17.571 9.810 1.00 25.00 H new ATOM 0 HB2 LYS A 54 -0.284 -18.432 7.774 1.00 25.00 H new ATOM 0 HB3 LYS A 54 1.284 -19.193 7.963 1.00 25.00 H new ATOM 0 HG2 LYS A 54 0.750 -20.022 10.150 1.00 25.00 H new ATOM 0 HG3 LYS A 54 -0.625 -18.949 10.316 1.00 25.00 H new ATOM 0 HD2 LYS A 54 -1.534 -21.118 9.883 1.00 25.00 H new ATOM 0 HD3 LYS A 54 -1.739 -20.206 8.401 1.00 25.00 H new ATOM 0 HE2 LYS A 54 0.276 -21.294 7.432 1.00 25.00 H new ATOM 0 HE3 LYS A 54 0.531 -22.178 8.924 1.00 25.00 H new ATOM 0 HZ1 LYS A 54 -0.655 -23.538 7.291 1.00 25.00 H new ATOM 0 HZ2 LYS A 54 -1.654 -23.246 8.632 1.00 25.00 H new ATOM 0 HZ3 LYS A 54 -1.901 -22.390 7.186 1.00 25.00 H new ATOM 930 N ARG A 55 1.024 -15.708 7.236 1.00 25.00 N ATOM 931 CA ARG A 55 1.590 -14.866 6.172 1.00 25.00 C ATOM 932 C ARG A 55 2.367 -13.721 6.817 1.00 25.00 C ATOM 933 O ARG A 55 3.450 -13.370 6.378 1.00 25.00 O ATOM 934 CB ARG A 55 0.472 -14.285 5.287 1.00 25.00 C ATOM 935 CG ARG A 55 -0.464 -15.325 4.646 1.00 25.00 C ATOM 936 CD ARG A 55 0.091 -15.896 3.344 1.00 25.00 C ATOM 937 NE ARG A 55 -0.816 -16.903 2.771 1.00 25.00 N ATOM 938 CZ ARG A 55 -0.640 -17.532 1.611 1.00 25.00 C ATOM 939 NH1 ARG A 55 0.395 -17.323 0.839 1.00 25.00 N ATOM 940 NH2 ARG A 55 -1.534 -18.397 1.220 1.00 25.00 N ATOM 0 H ARG A 55 0.025 -15.575 7.390 1.00 25.00 H new ATOM 0 HA ARG A 55 2.247 -15.472 5.548 1.00 25.00 H new ATOM 0 HB2 ARG A 55 -0.128 -13.602 5.889 1.00 25.00 H new ATOM 0 HB3 ARG A 55 0.929 -13.693 4.494 1.00 25.00 H new ATOM 0 HG2 ARG A 55 -0.633 -16.139 5.351 1.00 25.00 H new ATOM 0 HG3 ARG A 55 -1.433 -14.865 4.452 1.00 25.00 H new ATOM 0 HD2 ARG A 55 0.242 -15.090 2.626 1.00 25.00 H new ATOM 0 HD3 ARG A 55 1.067 -16.346 3.529 1.00 25.00 H new ATOM 0 HE ARG A 55 -1.650 -17.139 3.308 1.00 25.00 H new ATOM 0 HH11 ARG A 55 1.112 -16.653 1.117 1.00 25.00 H new ATOM 0 HH12 ARG A 55 0.485 -17.830 -0.041 1.00 25.00 H new ATOM 0 HH21 ARG A 55 -2.352 -18.582 1.800 1.00 25.00 H new ATOM 0 HH22 ARG A 55 -1.415 -18.888 0.334 1.00 25.00 H new ATOM 954 N TRP A 56 1.805 -13.156 7.875 1.00 25.00 N ATOM 955 CA TRP A 56 2.417 -12.030 8.576 1.00 25.00 C ATOM 956 C TRP A 56 3.710 -12.423 9.287 1.00 25.00 C ATOM 957 O TRP A 56 4.630 -11.624 9.395 1.00 25.00 O ATOM 958 CB TRP A 56 1.419 -11.446 9.579 1.00 25.00 C ATOM 959 CG TRP A 56 1.841 -10.109 10.111 1.00 25.00 C ATOM 960 CD1 TRP A 56 2.144 -9.792 11.392 1.00 25.00 C ATOM 961 CD2 TRP A 56 2.032 -8.890 9.362 1.00 25.00 C ATOM 962 NE1 TRP A 56 2.502 -8.482 11.518 1.00 25.00 N ATOM 963 CE2 TRP A 56 2.454 -7.890 10.287 1.00 25.00 C ATOM 964 CE3 TRP A 56 1.901 -8.542 8.003 1.00 25.00 C ATOM 965 CZ2 TRP A 56 2.755 -6.573 9.891 1.00 25.00 C ATOM 966 CZ3 TRP A 56 2.206 -7.220 7.597 1.00 25.00 C ATOM 967 CH2 TRP A 56 2.634 -6.248 8.552 1.00 25.00 C ATOM 0 H TRP A 56 0.917 -13.461 8.273 1.00 25.00 H new ATOM 0 HA TRP A 56 2.678 -11.278 7.831 1.00 25.00 H new ATOM 0 HB2 TRP A 56 0.445 -11.350 9.100 1.00 25.00 H new ATOM 0 HB3 TRP A 56 1.298 -12.141 10.410 1.00 25.00 H new ATOM 0 HD1 TRP A 56 2.107 -10.491 12.214 1.00 25.00 H new ATOM 0 HE1 TRP A 56 2.763 -8.020 12.389 1.00 25.00 H new ATOM 0 HE3 TRP A 56 1.572 -9.274 7.280 1.00 25.00 H new ATOM 0 HZ2 TRP A 56 3.072 -5.836 10.614 1.00 25.00 H new ATOM 0 HZ3 TRP A 56 2.114 -6.945 6.557 1.00 25.00 H new ATOM 0 HH2 TRP A 56 2.866 -5.246 8.224 1.00 25.00 H new ATOM 978 N ARG A 57 3.810 -13.671 9.722 1.00 25.00 N ATOM 979 CA ARG A 57 5.048 -14.163 10.338 1.00 25.00 C ATOM 980 C ARG A 57 6.198 -14.092 9.348 1.00 25.00 C ATOM 981 O ARG A 57 7.261 -13.605 9.681 1.00 25.00 O ATOM 982 CB ARG A 57 4.851 -15.576 10.878 1.00 25.00 C ATOM 983 CG ARG A 57 4.172 -15.558 12.244 1.00 25.00 C ATOM 984 CD ARG A 57 3.397 -16.829 12.516 1.00 25.00 C ATOM 985 NE ARG A 57 2.703 -16.746 13.817 1.00 25.00 N ATOM 986 CZ ARG A 57 1.795 -17.607 14.267 1.00 25.00 C ATOM 987 NH1 ARG A 57 1.456 -18.680 13.595 1.00 25.00 N ATOM 988 NH2 ARG A 57 1.207 -17.377 15.409 1.00 25.00 N ATOM 0 H ARG A 57 3.061 -14.360 9.664 1.00 25.00 H new ATOM 0 HA ARG A 57 5.302 -13.522 11.182 1.00 25.00 H new ATOM 0 HB2 ARG A 57 4.248 -16.154 10.178 1.00 25.00 H new ATOM 0 HB3 ARG A 57 5.817 -16.076 10.956 1.00 25.00 H new ATOM 0 HG2 ARG A 57 4.925 -15.421 13.020 1.00 25.00 H new ATOM 0 HG3 ARG A 57 3.497 -14.704 12.301 1.00 25.00 H new ATOM 0 HD2 ARG A 57 2.671 -16.996 11.720 1.00 25.00 H new ATOM 0 HD3 ARG A 57 4.075 -17.682 12.513 1.00 25.00 H new ATOM 0 HE ARG A 57 2.941 -15.960 14.423 1.00 25.00 H new ATOM 0 HH11 ARG A 57 1.893 -18.877 12.695 1.00 25.00 H new ATOM 0 HH12 ARG A 57 0.755 -19.318 13.972 1.00 25.00 H new ATOM 0 HH21 ARG A 57 1.445 -16.544 15.947 1.00 25.00 H new ATOM 0 HH22 ARG A 57 0.509 -18.031 15.764 1.00 25.00 H new ATOM 1002 N ARG A 58 5.936 -14.453 8.100 1.00 25.00 N ATOM 1003 CA ARG A 58 6.952 -14.330 7.044 1.00 25.00 C ATOM 1004 C ARG A 58 7.413 -12.899 6.781 1.00 25.00 C ATOM 1005 O ARG A 58 8.524 -12.692 6.331 1.00 25.00 O ATOM 1006 CB ARG A 58 6.465 -14.952 5.738 1.00 25.00 C ATOM 1007 CG ARG A 58 6.463 -16.464 5.776 1.00 25.00 C ATOM 1008 CD ARG A 58 6.381 -17.033 4.366 1.00 25.00 C ATOM 1009 NE ARG A 58 6.806 -18.444 4.327 1.00 25.00 N ATOM 1010 CZ ARG A 58 8.070 -18.862 4.272 1.00 25.00 C ATOM 1011 NH1 ARG A 58 9.090 -18.038 4.260 1.00 25.00 N ATOM 1012 NH2 ARG A 58 8.310 -20.144 4.230 1.00 25.00 N ATOM 0 H ARG A 58 5.041 -14.830 7.788 1.00 25.00 H new ATOM 0 HA ARG A 58 7.817 -14.875 7.422 1.00 25.00 H new ATOM 0 HB2 ARG A 58 5.457 -14.597 5.525 1.00 25.00 H new ATOM 0 HB3 ARG A 58 7.101 -14.614 4.920 1.00 25.00 H new ATOM 0 HG2 ARG A 58 7.368 -16.822 6.267 1.00 25.00 H new ATOM 0 HG3 ARG A 58 5.618 -16.818 6.367 1.00 25.00 H new ATOM 0 HD2 ARG A 58 5.358 -16.950 3.998 1.00 25.00 H new ATOM 0 HD3 ARG A 58 7.009 -16.444 3.698 1.00 25.00 H new ATOM 0 HE ARG A 58 6.076 -19.156 4.343 1.00 25.00 H new ATOM 0 HH11 ARG A 58 8.932 -17.031 4.294 1.00 25.00 H new ATOM 0 HH12 ARG A 58 10.041 -18.404 4.217 1.00 25.00 H new ATOM 0 HH21 ARG A 58 7.536 -20.808 4.240 1.00 25.00 H new ATOM 0 HH22 ARG A 58 9.272 -20.482 4.188 1.00 25.00 H new ATOM 1026 N VAL A 59 6.586 -11.913 7.087 1.00 25.00 N ATOM 1027 CA VAL A 59 6.993 -10.510 6.942 1.00 25.00 C ATOM 1028 C VAL A 59 8.049 -10.195 7.988 1.00 25.00 C ATOM 1029 O VAL A 59 9.034 -9.514 7.719 1.00 25.00 O ATOM 1030 CB VAL A 59 5.789 -9.554 7.137 1.00 25.00 C ATOM 1031 CG1 VAL A 59 6.222 -8.101 7.093 1.00 25.00 C ATOM 1032 CG2 VAL A 59 4.751 -9.832 6.075 1.00 25.00 C ATOM 0 H VAL A 59 5.636 -12.047 7.435 1.00 25.00 H new ATOM 0 HA VAL A 59 7.388 -10.365 5.937 1.00 25.00 H new ATOM 0 HB VAL A 59 5.358 -9.734 8.122 1.00 25.00 H new ATOM 0 HG11 VAL A 59 5.353 -7.458 7.233 1.00 25.00 H new ATOM 0 HG12 VAL A 59 6.945 -7.912 7.887 1.00 25.00 H new ATOM 0 HG13 VAL A 59 6.680 -7.887 6.127 1.00 25.00 H new ATOM 0 HG21 VAL A 59 3.903 -9.161 6.210 1.00 25.00 H new ATOM 0 HG22 VAL A 59 5.187 -9.672 5.089 1.00 25.00 H new ATOM 0 HG23 VAL A 59 4.413 -10.865 6.158 1.00 25.00 H new ATOM 1042 N GLY A 60 7.850 -10.723 9.182 1.00 25.00 N ATOM 1043 CA GLY A 60 8.796 -10.496 10.251 1.00 25.00 C ATOM 1044 C GLY A 60 10.086 -11.245 10.001 1.00 25.00 C ATOM 1045 O GLY A 60 11.167 -10.728 10.270 1.00 25.00 O ATOM 0 H GLY A 60 7.050 -11.305 9.431 1.00 25.00 H new ATOM 0 HA2 GLY A 60 9.002 -9.429 10.339 1.00 25.00 H new ATOM 0 HA3 GLY A 60 8.363 -10.816 11.199 1.00 25.00 H new ATOM 1049 N ASP A 61 9.969 -12.435 9.426 1.00 25.00 N ATOM 1050 CA ASP A 61 11.140 -13.232 9.048 1.00 25.00 C ATOM 1051 C ASP A 61 11.960 -12.419 8.041 1.00 25.00 C ATOM 1052 O ASP A 61 13.182 -12.371 8.101 1.00 25.00 O ATOM 1053 CB ASP A 61 10.722 -14.562 8.385 1.00 25.00 C ATOM 1054 CG ASP A 61 9.879 -15.456 9.298 1.00 25.00 C ATOM 1055 OD1 ASP A 61 9.969 -15.344 10.537 1.00 25.00 O ATOM 1056 OD2 ASP A 61 9.102 -16.278 8.747 1.00 25.00 O ATOM 0 H ASP A 61 9.075 -12.875 9.209 1.00 25.00 H new ATOM 0 HA ASP A 61 11.717 -13.462 9.944 1.00 25.00 H new ATOM 0 HB2 ASP A 61 10.157 -14.346 7.478 1.00 25.00 H new ATOM 0 HB3 ASP A 61 11.617 -15.106 8.082 1.00 25.00 H new ATOM 1061 N CYS A 62 11.261 -11.756 7.129 1.00 25.00 N ATOM 1062 CA CYS A 62 11.895 -10.937 6.099 1.00 25.00 C ATOM 1063 C CYS A 62 12.629 -9.735 6.688 1.00 25.00 C ATOM 1064 O CYS A 62 13.745 -9.420 6.283 1.00 25.00 O ATOM 1065 CB CYS A 62 10.832 -10.434 5.125 1.00 25.00 C ATOM 1066 SG CYS A 62 11.422 -10.311 3.427 1.00 25.00 S ATOM 0 H CYS A 62 10.242 -11.769 7.081 1.00 25.00 H new ATOM 0 HA CYS A 62 12.627 -11.563 5.589 1.00 25.00 H new ATOM 0 HB2 CYS A 62 9.974 -11.105 5.156 1.00 25.00 H new ATOM 0 HB3 CYS A 62 10.483 -9.455 5.453 1.00 25.00 H new ATOM 0 HG CYS A 62 10.596 -10.927 2.635 1.00 25.00 H new ATOM 1072 N PHE A 63 12.012 -9.066 7.656 1.00 25.00 N ATOM 1073 CA PHE A 63 12.660 -7.919 8.287 1.00 25.00 C ATOM 1074 C PHE A 63 13.914 -8.384 9.001 1.00 25.00 C ATOM 1075 O PHE A 63 14.907 -7.678 9.014 1.00 25.00 O ATOM 1076 CB PHE A 63 11.761 -7.237 9.324 1.00 25.00 C ATOM 1077 CG PHE A 63 10.517 -6.582 8.754 1.00 25.00 C ATOM 1078 CD1 PHE A 63 10.492 -6.047 7.445 1.00 25.00 C ATOM 1079 CD2 PHE A 63 9.364 -6.466 9.554 1.00 25.00 C ATOM 1080 CE1 PHE A 63 9.331 -5.407 6.946 1.00 25.00 C ATOM 1081 CE2 PHE A 63 8.203 -5.816 9.066 1.00 25.00 C ATOM 1082 CZ PHE A 63 8.190 -5.287 7.760 1.00 25.00 C ATOM 0 H PHE A 63 11.084 -9.290 8.016 1.00 25.00 H new ATOM 0 HA PHE A 63 12.885 -7.204 7.496 1.00 25.00 H new ATOM 0 HB2 PHE A 63 11.458 -7.977 10.065 1.00 25.00 H new ATOM 0 HB3 PHE A 63 12.345 -6.481 9.849 1.00 25.00 H new ATOM 0 HD1 PHE A 63 11.368 -6.127 6.819 1.00 25.00 H new ATOM 0 HD2 PHE A 63 9.364 -6.878 10.552 1.00 25.00 H new ATOM 0 HE1 PHE A 63 9.322 -5.011 5.941 1.00 25.00 H new ATOM 0 HE2 PHE A 63 7.329 -5.726 9.694 1.00 25.00 H new ATOM 0 HZ PHE A 63 7.307 -4.791 7.385 1.00 25.00 H new ATOM 1092 N GLN A 64 13.866 -9.565 9.602 1.00 25.00 N ATOM 1093 CA GLN A 64 15.016 -10.096 10.326 1.00 25.00 C ATOM 1094 C GLN A 64 16.152 -10.415 9.370 1.00 25.00 C ATOM 1095 O GLN A 64 17.311 -10.154 9.669 1.00 25.00 O ATOM 1096 CB GLN A 64 14.624 -11.362 11.084 1.00 25.00 C ATOM 1097 CG GLN A 64 15.746 -11.925 11.947 1.00 25.00 C ATOM 1098 CD GLN A 64 15.307 -13.138 12.736 1.00 25.00 C ATOM 1099 OE1 GLN A 64 14.513 -13.038 13.658 1.00 25.00 O ATOM 1100 NE2 GLN A 64 15.828 -14.284 12.385 1.00 25.00 N ATOM 0 H GLN A 64 13.047 -10.173 9.604 1.00 25.00 H new ATOM 0 HA GLN A 64 15.350 -9.337 11.033 1.00 25.00 H new ATOM 0 HB2 GLN A 64 13.763 -11.145 11.717 1.00 25.00 H new ATOM 0 HB3 GLN A 64 14.310 -12.122 10.368 1.00 25.00 H new ATOM 0 HG2 GLN A 64 16.591 -12.193 11.312 1.00 25.00 H new ATOM 0 HG3 GLN A 64 16.095 -11.154 12.634 1.00 25.00 H new ATOM 0 HE21 GLN A 64 16.488 -14.328 11.609 1.00 25.00 H new ATOM 0 HE22 GLN A 64 15.574 -15.135 12.887 1.00 25.00 H new ATOM 1109 N ASP A 65 15.819 -10.974 8.219 1.00 25.00 N ATOM 1110 CA ASP A 65 16.825 -11.331 7.223 1.00 25.00 C ATOM 1111 C ASP A 65 17.530 -10.066 6.734 1.00 25.00 C ATOM 1112 O ASP A 65 18.756 -9.968 6.723 1.00 25.00 O ATOM 1113 CB ASP A 65 16.145 -12.048 6.053 1.00 25.00 C ATOM 1114 CG ASP A 65 17.097 -12.946 5.281 1.00 25.00 C ATOM 1115 OD1 ASP A 65 18.278 -13.057 5.671 1.00 25.00 O ATOM 1116 OD2 ASP A 65 16.638 -13.593 4.314 1.00 25.00 O ATOM 0 H ASP A 65 14.860 -11.192 7.947 1.00 25.00 H new ATOM 0 HA ASP A 65 17.566 -11.997 7.666 1.00 25.00 H new ATOM 0 HB2 ASP A 65 15.315 -12.645 6.431 1.00 25.00 H new ATOM 0 HB3 ASP A 65 15.721 -11.307 5.375 1.00 25.00 H new ATOM 1121 N TYR A 66 16.743 -9.056 6.404 1.00 25.00 N ATOM 1122 CA TYR A 66 17.299 -7.790 5.939 1.00 25.00 C ATOM 1123 C TYR A 66 18.116 -7.125 7.059 1.00 25.00 C ATOM 1124 O TYR A 66 19.187 -6.559 6.824 1.00 25.00 O ATOM 1125 CB TYR A 66 16.167 -6.871 5.469 1.00 25.00 C ATOM 1126 CG TYR A 66 16.601 -5.836 4.445 1.00 25.00 C ATOM 1127 CD1 TYR A 66 17.465 -4.775 4.794 1.00 25.00 C ATOM 1128 CD2 TYR A 66 16.147 -5.917 3.112 1.00 25.00 C ATOM 1129 CE1 TYR A 66 17.858 -3.809 3.831 1.00 25.00 C ATOM 1130 CE2 TYR A 66 16.540 -4.949 2.147 1.00 25.00 C ATOM 1131 CZ TYR A 66 17.396 -3.909 2.517 1.00 25.00 C ATOM 1132 OH TYR A 66 17.788 -2.978 1.590 1.00 25.00 O ATOM 0 H TYR A 66 15.724 -9.084 6.448 1.00 25.00 H new ATOM 0 HA TYR A 66 17.967 -7.977 5.098 1.00 25.00 H new ATOM 0 HB2 TYR A 66 15.371 -7.480 5.041 1.00 25.00 H new ATOM 0 HB3 TYR A 66 15.745 -6.358 6.334 1.00 25.00 H new ATOM 0 HD1 TYR A 66 17.832 -4.697 5.807 1.00 25.00 H new ATOM 0 HD2 TYR A 66 15.492 -6.725 2.820 1.00 25.00 H new ATOM 0 HE1 TYR A 66 18.513 -2.998 4.114 1.00 25.00 H new ATOM 0 HE2 TYR A 66 16.178 -5.018 1.132 1.00 25.00 H new ATOM 0 HH TYR A 66 17.381 -3.188 0.723 1.00 25.00 H new ATOM 1142 N PHE A 67 17.621 -7.225 8.286 1.00 25.00 N ATOM 1143 CA PHE A 67 18.302 -6.639 9.443 1.00 25.00 C ATOM 1144 C PHE A 67 19.642 -7.304 9.733 1.00 25.00 C ATOM 1145 O PHE A 67 20.609 -6.617 10.007 1.00 25.00 O ATOM 1146 CB PHE A 67 17.408 -6.757 10.684 1.00 25.00 C ATOM 1147 CG PHE A 67 18.011 -6.177 11.941 1.00 25.00 C ATOM 1148 CD1 PHE A 67 18.892 -6.941 12.737 1.00 25.00 C ATOM 1149 CD2 PHE A 67 17.681 -4.876 12.357 1.00 25.00 C ATOM 1150 CE1 PHE A 67 19.447 -6.404 13.924 1.00 25.00 C ATOM 1151 CE2 PHE A 67 18.217 -4.336 13.546 1.00 25.00 C ATOM 1152 CZ PHE A 67 19.106 -5.098 14.328 1.00 25.00 C ATOM 0 H PHE A 67 16.750 -7.706 8.510 1.00 25.00 H new ATOM 0 HA PHE A 67 18.495 -5.593 9.203 1.00 25.00 H new ATOM 0 HB2 PHE A 67 16.461 -6.256 10.484 1.00 25.00 H new ATOM 0 HB3 PHE A 67 17.181 -7.809 10.856 1.00 25.00 H new ATOM 0 HD1 PHE A 67 19.146 -7.947 12.437 1.00 25.00 H new ATOM 0 HD2 PHE A 67 17.008 -4.281 11.758 1.00 25.00 H new ATOM 0 HE1 PHE A 67 20.130 -6.994 14.518 1.00 25.00 H new ATOM 0 HE2 PHE A 67 17.945 -3.338 13.856 1.00 25.00 H new ATOM 0 HZ PHE A 67 19.525 -4.683 15.233 1.00 25.00 H new ATOM 1162 N ASN A 68 19.705 -8.628 9.720 1.00 25.00 N ATOM 1163 CA ASN A 68 20.924 -9.326 10.154 1.00 25.00 C ATOM 1164 C ASN A 68 22.132 -8.981 9.293 1.00 25.00 C ATOM 1165 O ASN A 68 23.258 -8.939 9.773 1.00 25.00 O ATOM 1166 CB ASN A 68 20.699 -10.846 10.207 1.00 25.00 C ATOM 1167 CG ASN A 68 21.279 -11.585 9.018 1.00 25.00 C ATOM 1168 OD1 ASN A 68 22.434 -11.969 9.023 1.00 25.00 O ATOM 1169 ND2 ASN A 68 20.470 -11.838 8.036 1.00 25.00 N ATOM 0 H ASN A 68 18.945 -9.239 9.421 1.00 25.00 H new ATOM 0 HA ASN A 68 21.146 -8.975 11.162 1.00 25.00 H new ATOM 0 HB2 ASN A 68 21.143 -11.239 11.121 1.00 25.00 H new ATOM 0 HB3 ASN A 68 19.629 -11.045 10.262 1.00 25.00 H new ATOM 0 HD21 ASN A 68 20.796 -12.376 7.233 1.00 25.00 H new ATOM 0 HD22 ASN A 68 19.508 -11.499 8.067 1.00 25.00 H new ATOM 1176 N THR A 69 21.867 -8.670 8.037 1.00 25.00 N ATOM 1177 CA THR A 69 22.915 -8.297 7.089 1.00 25.00 C ATOM 1178 C THR A 69 23.708 -7.045 7.516 1.00 25.00 C ATOM 1179 O THR A 69 24.926 -6.999 7.355 1.00 25.00 O ATOM 1180 CB THR A 69 22.290 -8.043 5.688 1.00 25.00 C ATOM 1181 OG1 THR A 69 21.459 -9.152 5.329 1.00 25.00 O ATOM 1182 CG2 THR A 69 23.358 -7.909 4.612 1.00 25.00 C ATOM 0 H THR A 69 20.927 -8.667 7.642 1.00 25.00 H new ATOM 0 HA THR A 69 23.616 -9.131 7.061 1.00 25.00 H new ATOM 0 HB THR A 69 21.720 -7.116 5.750 1.00 25.00 H new ATOM 0 HG1 THR A 69 21.063 -8.992 4.447 1.00 25.00 H new ATOM 0 HG21 THR A 69 22.882 -7.732 3.647 1.00 25.00 H new ATOM 0 HG22 THR A 69 24.013 -7.072 4.852 1.00 25.00 H new ATOM 0 HG23 THR A 69 23.944 -8.827 4.565 1.00 25.00 H new ATOM 1190 N PHE A 70 23.022 -6.013 8.004 1.00 25.00 N ATOM 1191 CA PHE A 70 23.685 -4.741 8.347 1.00 25.00 C ATOM 1192 C PHE A 70 23.450 -4.181 9.756 1.00 25.00 C ATOM 1193 O PHE A 70 24.017 -3.147 10.117 1.00 25.00 O ATOM 1194 CB PHE A 70 23.263 -3.681 7.343 1.00 25.00 C ATOM 1195 CG PHE A 70 24.083 -3.676 6.087 1.00 25.00 C ATOM 1196 CD1 PHE A 70 25.367 -3.101 6.082 1.00 25.00 C ATOM 1197 CD2 PHE A 70 23.577 -4.233 4.900 1.00 25.00 C ATOM 1198 CE1 PHE A 70 26.146 -3.080 4.898 1.00 25.00 C ATOM 1199 CE2 PHE A 70 24.345 -4.219 3.709 1.00 25.00 C ATOM 1200 CZ PHE A 70 25.632 -3.640 3.710 1.00 25.00 C ATOM 0 H PHE A 70 22.016 -6.024 8.172 1.00 25.00 H new ATOM 0 HA PHE A 70 24.748 -4.982 8.317 1.00 25.00 H new ATOM 0 HB2 PHE A 70 22.216 -3.838 7.082 1.00 25.00 H new ATOM 0 HB3 PHE A 70 23.331 -2.700 7.814 1.00 25.00 H new ATOM 0 HD1 PHE A 70 25.763 -2.671 6.990 1.00 25.00 H new ATOM 0 HD2 PHE A 70 22.592 -4.676 4.895 1.00 25.00 H new ATOM 0 HE1 PHE A 70 27.131 -2.636 4.906 1.00 25.00 H new ATOM 0 HE2 PHE A 70 23.946 -4.650 2.803 1.00 25.00 H new ATOM 0 HZ PHE A 70 26.221 -3.626 2.805 1.00 25.00 H new ATOM 1210 N GLY A 71 22.585 -4.805 10.533 1.00 25.00 N ATOM 1211 CA GLY A 71 22.245 -4.276 11.842 1.00 25.00 C ATOM 1212 C GLY A 71 21.167 -3.200 11.773 1.00 25.00 C ATOM 1213 O GLY A 71 20.450 -3.084 10.765 1.00 25.00 O ATOM 0 H GLY A 71 22.108 -5.672 10.284 1.00 25.00 H new ATOM 0 HA2 GLY A 71 21.902 -5.089 12.481 1.00 25.00 H new ATOM 0 HA3 GLY A 71 23.139 -3.861 12.306 1.00 25.00 H new ATOM 1217 N PRO A 72 21.020 -2.377 12.831 1.00 25.00 N ATOM 1218 CA PRO A 72 19.942 -1.379 12.876 1.00 25.00 C ATOM 1219 C PRO A 72 20.092 -0.211 11.908 1.00 25.00 C ATOM 1220 O PRO A 72 19.157 0.560 11.712 1.00 25.00 O ATOM 1221 CB PRO A 72 19.992 -0.895 14.327 1.00 25.00 C ATOM 1222 CG PRO A 72 21.408 -1.047 14.708 1.00 25.00 C ATOM 1223 CD PRO A 72 21.821 -2.347 14.071 1.00 25.00 C ATOM 0 HA PRO A 72 18.995 -1.821 12.567 1.00 25.00 H new ATOM 0 HB2 PRO A 72 19.665 0.141 14.413 1.00 25.00 H new ATOM 0 HB3 PRO A 72 19.341 -1.489 14.968 1.00 25.00 H new ATOM 0 HG2 PRO A 72 22.011 -0.215 14.343 1.00 25.00 H new ATOM 0 HG3 PRO A 72 21.529 -1.077 15.791 1.00 25.00 H new ATOM 0 HD2 PRO A 72 22.890 -2.372 13.862 1.00 25.00 H new ATOM 0 HD3 PRO A 72 21.602 -3.199 14.714 1.00 25.00 H new ATOM 1231 N GLU A 73 21.252 -0.103 11.279 1.00 25.00 N ATOM 1232 CA GLU A 73 21.532 0.985 10.343 1.00 25.00 C ATOM 1233 C GLU A 73 20.830 0.787 8.999 1.00 25.00 C ATOM 1234 O GLU A 73 20.881 1.653 8.127 1.00 25.00 O ATOM 1235 CB GLU A 73 23.042 1.087 10.122 1.00 25.00 C ATOM 1236 CG GLU A 73 23.836 1.188 11.421 1.00 25.00 C ATOM 1237 CD GLU A 73 23.346 2.319 12.320 1.00 25.00 C ATOM 1238 OE1 GLU A 73 23.323 3.482 11.867 1.00 25.00 O ATOM 1239 OE2 GLU A 73 22.959 2.031 13.475 1.00 25.00 O ATOM 0 H GLU A 73 22.023 -0.760 11.399 1.00 25.00 H new ATOM 0 HA GLU A 73 21.148 1.906 10.781 1.00 25.00 H new ATOM 0 HB2 GLU A 73 23.380 0.214 9.564 1.00 25.00 H new ATOM 0 HB3 GLU A 73 23.254 1.961 9.506 1.00 25.00 H new ATOM 0 HG2 GLU A 73 23.766 0.243 11.960 1.00 25.00 H new ATOM 0 HG3 GLU A 73 24.889 1.344 11.188 1.00 25.00 H new ATOM 1246 N LYS A 74 20.182 -0.361 8.830 1.00 25.00 N ATOM 1247 CA LYS A 74 19.422 -0.654 7.601 1.00 25.00 C ATOM 1248 C LYS A 74 17.943 -0.845 7.876 1.00 25.00 C ATOM 1249 O LYS A 74 17.112 -0.308 7.155 1.00 25.00 O ATOM 1250 CB LYS A 74 19.983 -1.895 6.910 1.00 25.00 C ATOM 1251 CG LYS A 74 20.705 -1.598 5.588 1.00 25.00 C ATOM 1252 CD LYS A 74 21.910 -0.675 5.783 1.00 25.00 C ATOM 1253 CE LYS A 74 22.739 -0.571 4.520 1.00 25.00 C ATOM 1254 NZ LYS A 74 23.961 0.253 4.787 1.00 25.00 N ATOM 0 H LYS A 74 20.163 -1.109 9.523 1.00 25.00 H new ATOM 0 HA LYS A 74 19.530 0.209 6.945 1.00 25.00 H new ATOM 0 HB2 LYS A 74 20.676 -2.394 7.587 1.00 25.00 H new ATOM 0 HB3 LYS A 74 19.167 -2.592 6.719 1.00 25.00 H new ATOM 0 HG2 LYS A 74 21.035 -2.534 5.138 1.00 25.00 H new ATOM 0 HG3 LYS A 74 20.006 -1.138 4.890 1.00 25.00 H new ATOM 0 HD2 LYS A 74 21.566 0.317 6.077 1.00 25.00 H new ATOM 0 HD3 LYS A 74 22.530 -1.051 6.597 1.00 25.00 H new ATOM 0 HE2 LYS A 74 23.026 -1.566 4.179 1.00 25.00 H new ATOM 0 HE3 LYS A 74 22.150 -0.118 3.723 1.00 25.00 H new ATOM 0 HZ1 LYS A 74 24.529 0.323 3.919 1.00 25.00 H new ATOM 0 HZ2 LYS A 74 23.677 1.206 5.093 1.00 25.00 H new ATOM 0 HZ3 LYS A 74 24.526 -0.197 5.535 1.00 25.00 H new ATOM 1268 N VAL A 75 17.609 -1.570 8.932 1.00 25.00 N ATOM 1269 CA VAL A 75 16.211 -1.713 9.333 1.00 25.00 C ATOM 1270 C VAL A 75 16.147 -1.252 10.779 1.00 25.00 C ATOM 1271 O VAL A 75 16.924 -1.717 11.608 1.00 25.00 O ATOM 1272 CB VAL A 75 15.746 -3.203 9.226 1.00 25.00 C ATOM 1273 CG1 VAL A 75 14.289 -3.376 9.688 1.00 25.00 C ATOM 1274 CG2 VAL A 75 15.892 -3.703 7.796 1.00 25.00 C ATOM 0 H VAL A 75 18.276 -2.065 9.524 1.00 25.00 H new ATOM 0 HA VAL A 75 15.556 -1.128 8.687 1.00 25.00 H new ATOM 0 HB VAL A 75 16.385 -3.792 9.884 1.00 25.00 H new ATOM 0 HG11 VAL A 75 14.001 -4.424 9.600 1.00 25.00 H new ATOM 0 HG12 VAL A 75 14.197 -3.061 10.727 1.00 25.00 H new ATOM 0 HG13 VAL A 75 13.635 -2.766 9.065 1.00 25.00 H new ATOM 0 HG21 VAL A 75 15.564 -4.741 7.738 1.00 25.00 H new ATOM 0 HG22 VAL A 75 15.280 -3.092 7.133 1.00 25.00 H new ATOM 0 HG23 VAL A 75 16.936 -3.635 7.492 1.00 25.00 H new ATOM 1284 N PRO A 76 15.195 -0.368 11.123 1.00 25.00 N ATOM 1285 CA PRO A 76 15.198 0.014 12.535 1.00 25.00 C ATOM 1286 C PRO A 76 14.629 -1.081 13.418 1.00 25.00 C ATOM 1287 O PRO A 76 13.736 -1.818 13.011 1.00 25.00 O ATOM 1288 CB PRO A 76 14.301 1.249 12.553 1.00 25.00 C ATOM 1289 CG PRO A 76 13.347 1.033 11.438 1.00 25.00 C ATOM 1290 CD PRO A 76 14.154 0.350 10.361 1.00 25.00 C ATOM 0 HA PRO A 76 16.201 0.195 12.921 1.00 25.00 H new ATOM 0 HB2 PRO A 76 13.781 1.348 13.506 1.00 25.00 H new ATOM 0 HB3 PRO A 76 14.879 2.162 12.409 1.00 25.00 H new ATOM 0 HG2 PRO A 76 12.506 0.415 11.752 1.00 25.00 H new ATOM 0 HG3 PRO A 76 12.934 1.977 11.083 1.00 25.00 H new ATOM 0 HD2 PRO A 76 13.542 -0.334 9.772 1.00 25.00 H new ATOM 0 HD3 PRO A 76 14.588 1.069 9.666 1.00 25.00 H new ATOM 1298 N VAL A 77 15.074 -1.144 14.662 1.00 25.00 N ATOM 1299 CA VAL A 77 14.535 -2.129 15.597 1.00 25.00 C ATOM 1300 C VAL A 77 13.057 -1.843 15.894 1.00 25.00 C ATOM 1301 O VAL A 77 12.301 -2.740 16.266 1.00 25.00 O ATOM 1302 CB VAL A 77 15.357 -2.179 16.915 1.00 25.00 C ATOM 1303 CG1 VAL A 77 16.782 -2.669 16.629 1.00 25.00 C ATOM 1304 CG2 VAL A 77 15.410 -0.797 17.595 1.00 25.00 C ATOM 0 H VAL A 77 15.796 -0.536 15.048 1.00 25.00 H new ATOM 0 HA VAL A 77 14.612 -3.107 15.123 1.00 25.00 H new ATOM 0 HB VAL A 77 14.861 -2.875 17.592 1.00 25.00 H new ATOM 0 HG11 VAL A 77 17.350 -2.700 17.559 1.00 25.00 H new ATOM 0 HG12 VAL A 77 16.743 -3.668 16.194 1.00 25.00 H new ATOM 0 HG13 VAL A 77 17.268 -1.988 15.930 1.00 25.00 H new ATOM 0 HG21 VAL A 77 15.992 -0.866 18.514 1.00 25.00 H new ATOM 0 HG22 VAL A 77 15.878 -0.078 16.922 1.00 25.00 H new ATOM 0 HG23 VAL A 77 14.398 -0.468 17.830 1.00 25.00 H new ATOM 1314 N THR A 78 12.617 -0.612 15.656 1.00 25.00 N ATOM 1315 CA THR A 78 11.211 -0.272 15.862 1.00 25.00 C ATOM 1316 C THR A 78 10.334 -0.894 14.786 1.00 25.00 C ATOM 1317 O THR A 78 9.147 -1.073 15.001 1.00 25.00 O ATOM 1318 CB THR A 78 10.966 1.261 15.922 1.00 25.00 C ATOM 1319 OG1 THR A 78 9.739 1.517 16.607 1.00 25.00 O ATOM 1320 CG2 THR A 78 10.879 1.899 14.552 1.00 25.00 C ATOM 0 H THR A 78 13.201 0.156 15.326 1.00 25.00 H new ATOM 0 HA THR A 78 10.938 -0.686 16.833 1.00 25.00 H new ATOM 0 HB THR A 78 11.819 1.695 16.444 1.00 25.00 H new ATOM 0 HG1 THR A 78 9.066 0.861 16.329 1.00 25.00 H new ATOM 0 HG21 THR A 78 10.707 2.970 14.660 1.00 25.00 H new ATOM 0 HG22 THR A 78 11.812 1.734 14.014 1.00 25.00 H new ATOM 0 HG23 THR A 78 10.055 1.453 13.995 1.00 25.00 H new ATOM 1328 N ALA A 79 10.907 -1.284 13.653 1.00 25.00 N ATOM 1329 CA ALA A 79 10.110 -1.931 12.615 1.00 25.00 C ATOM 1330 C ALA A 79 9.532 -3.235 13.158 1.00 25.00 C ATOM 1331 O ALA A 79 8.391 -3.571 12.882 1.00 25.00 O ATOM 1332 CB ALA A 79 10.951 -2.188 11.374 1.00 25.00 C ATOM 0 H ALA A 79 11.896 -1.168 13.431 1.00 25.00 H new ATOM 0 HA ALA A 79 9.291 -1.271 12.330 1.00 25.00 H new ATOM 0 HB1 ALA A 79 10.338 -2.671 10.613 1.00 25.00 H new ATOM 0 HB2 ALA A 79 11.330 -1.241 10.989 1.00 25.00 H new ATOM 0 HB3 ALA A 79 11.789 -2.836 11.630 1.00 25.00 H new ATOM 1338 N PHE A 80 10.301 -3.935 13.979 1.00 25.00 N ATOM 1339 CA PHE A 80 9.837 -5.178 14.591 1.00 25.00 C ATOM 1340 C PHE A 80 8.796 -4.897 15.667 1.00 25.00 C ATOM 1341 O PHE A 80 7.892 -5.690 15.896 1.00 25.00 O ATOM 1342 CB PHE A 80 11.012 -5.926 15.215 1.00 25.00 C ATOM 1343 CG PHE A 80 12.083 -6.283 14.230 1.00 25.00 C ATOM 1344 CD1 PHE A 80 12.033 -7.504 13.534 1.00 25.00 C ATOM 1345 CD2 PHE A 80 13.149 -5.398 13.986 1.00 25.00 C ATOM 1346 CE1 PHE A 80 13.035 -7.840 12.603 1.00 25.00 C ATOM 1347 CE2 PHE A 80 14.152 -5.715 13.049 1.00 25.00 C ATOM 1348 CZ PHE A 80 14.095 -6.943 12.354 1.00 25.00 C ATOM 0 H PHE A 80 11.250 -3.666 14.239 1.00 25.00 H new ATOM 0 HA PHE A 80 9.384 -5.789 13.810 1.00 25.00 H new ATOM 0 HB2 PHE A 80 11.445 -5.312 16.005 1.00 25.00 H new ATOM 0 HB3 PHE A 80 10.644 -6.837 15.686 1.00 25.00 H new ATOM 0 HD1 PHE A 80 11.219 -8.190 13.715 1.00 25.00 H new ATOM 0 HD2 PHE A 80 13.199 -4.463 14.524 1.00 25.00 H new ATOM 0 HE1 PHE A 80 12.992 -8.784 12.080 1.00 25.00 H new ATOM 0 HE2 PHE A 80 14.960 -5.023 12.863 1.00 25.00 H new ATOM 0 HZ PHE A 80 14.860 -7.195 11.634 1.00 25.00 H new ATOM 1358 N SER A 81 8.917 -3.756 16.325 1.00 25.00 N ATOM 1359 CA SER A 81 7.975 -3.381 17.383 1.00 25.00 C ATOM 1360 C SER A 81 6.636 -3.035 16.747 1.00 25.00 C ATOM 1361 O SER A 81 5.581 -3.474 17.198 1.00 25.00 O ATOM 1362 CB SER A 81 8.501 -2.184 18.178 1.00 25.00 C ATOM 1363 OG SER A 81 7.655 -1.898 19.279 1.00 25.00 O ATOM 0 H SER A 81 9.653 -3.071 16.151 1.00 25.00 H new ATOM 0 HA SER A 81 7.856 -4.218 18.072 1.00 25.00 H new ATOM 0 HB2 SER A 81 9.510 -2.393 18.534 1.00 25.00 H new ATOM 0 HB3 SER A 81 8.567 -1.311 17.528 1.00 25.00 H new ATOM 0 HG SER A 81 8.011 -1.131 19.774 1.00 25.00 H new ATOM 1369 N TYR A 82 6.694 -2.285 15.658 1.00 25.00 N ATOM 1370 CA TYR A 82 5.507 -1.937 14.894 1.00 25.00 C ATOM 1371 C TYR A 82 4.889 -3.202 14.333 1.00 25.00 C ATOM 1372 O TYR A 82 3.688 -3.404 14.409 1.00 25.00 O ATOM 1373 CB TYR A 82 5.882 -1.005 13.744 1.00 25.00 C ATOM 1374 CG TYR A 82 5.685 0.453 14.071 1.00 25.00 C ATOM 1375 CD1 TYR A 82 6.712 1.224 14.669 1.00 25.00 C ATOM 1376 CD2 TYR A 82 4.459 1.077 13.784 1.00 25.00 C ATOM 1377 CE1 TYR A 82 6.507 2.601 14.958 1.00 25.00 C ATOM 1378 CE2 TYR A 82 4.254 2.453 14.074 1.00 25.00 C ATOM 1379 CZ TYR A 82 5.281 3.200 14.651 1.00 25.00 C ATOM 1380 OH TYR A 82 5.080 4.529 14.920 1.00 25.00 O ATOM 0 H TYR A 82 7.561 -1.902 15.280 1.00 25.00 H new ATOM 0 HA TYR A 82 4.794 -1.432 15.545 1.00 25.00 H new ATOM 0 HB2 TYR A 82 6.925 -1.172 13.475 1.00 25.00 H new ATOM 0 HB3 TYR A 82 5.283 -1.259 12.870 1.00 25.00 H new ATOM 0 HD1 TYR A 82 7.659 0.762 14.907 1.00 25.00 H new ATOM 0 HD2 TYR A 82 3.661 0.503 13.337 1.00 25.00 H new ATOM 0 HE1 TYR A 82 7.295 3.182 15.413 1.00 25.00 H new ATOM 0 HE2 TYR A 82 3.306 2.919 13.848 1.00 25.00 H new ATOM 0 HH TYR A 82 4.725 4.974 14.122 1.00 25.00 H new ATOM 1390 N TRP A 83 5.727 -4.077 13.801 1.00 25.00 N ATOM 1391 CA TRP A 83 5.276 -5.339 13.235 1.00 25.00 C ATOM 1392 C TRP A 83 4.529 -6.191 14.264 1.00 25.00 C ATOM 1393 O TRP A 83 3.499 -6.803 13.955 1.00 25.00 O ATOM 1394 CB TRP A 83 6.497 -6.108 12.723 1.00 25.00 C ATOM 1395 CG TRP A 83 6.183 -7.477 12.254 1.00 25.00 C ATOM 1396 CD1 TRP A 83 5.742 -7.857 11.031 1.00 25.00 C ATOM 1397 CD2 TRP A 83 6.276 -8.693 13.021 1.00 25.00 C ATOM 1398 NE1 TRP A 83 5.537 -9.202 10.968 1.00 25.00 N ATOM 1399 CE2 TRP A 83 5.848 -9.754 12.176 1.00 25.00 C ATOM 1400 CE3 TRP A 83 6.677 -8.993 14.339 1.00 25.00 C ATOM 1401 CZ2 TRP A 83 5.802 -11.087 12.610 1.00 25.00 C ATOM 1402 CZ3 TRP A 83 6.643 -10.339 14.778 1.00 25.00 C ATOM 1403 CH2 TRP A 83 6.202 -11.374 13.902 1.00 25.00 C ATOM 0 H TRP A 83 6.736 -3.934 13.749 1.00 25.00 H new ATOM 0 HA TRP A 83 4.583 -5.125 12.422 1.00 25.00 H new ATOM 0 HB2 TRP A 83 6.951 -5.548 11.905 1.00 25.00 H new ATOM 0 HB3 TRP A 83 7.239 -6.167 13.520 1.00 25.00 H new ATOM 0 HD1 TRP A 83 5.574 -7.178 10.208 1.00 25.00 H new ATOM 0 HE1 TRP A 83 5.205 -9.713 10.150 1.00 25.00 H new ATOM 0 HE3 TRP A 83 7.005 -8.208 15.004 1.00 25.00 H new ATOM 0 HZ2 TRP A 83 5.462 -11.871 11.950 1.00 25.00 H new ATOM 0 HZ3 TRP A 83 6.953 -10.583 15.783 1.00 25.00 H new ATOM 0 HH2 TRP A 83 6.180 -12.395 14.252 1.00 25.00 H new ATOM 1414 N ASN A 84 5.031 -6.205 15.493 1.00 25.00 N ATOM 1415 CA ASN A 84 4.420 -6.980 16.575 1.00 25.00 C ATOM 1416 C ASN A 84 3.015 -6.472 16.899 1.00 25.00 C ATOM 1417 O ASN A 84 2.149 -7.253 17.291 1.00 25.00 O ATOM 1418 CB ASN A 84 5.284 -6.914 17.842 1.00 25.00 C ATOM 1419 CG ASN A 84 6.232 -8.085 17.967 1.00 25.00 C ATOM 1420 OD1 ASN A 84 5.832 -9.186 18.318 1.00 25.00 O ATOM 1421 ND2 ASN A 84 7.481 -7.861 17.692 1.00 25.00 N ATOM 0 H ASN A 84 5.865 -5.686 15.770 1.00 25.00 H new ATOM 0 HA ASN A 84 4.350 -8.013 16.234 1.00 25.00 H new ATOM 0 HB2 ASN A 84 5.858 -5.987 17.837 1.00 25.00 H new ATOM 0 HB3 ASN A 84 4.635 -6.883 18.717 1.00 25.00 H new ATOM 0 HD21 ASN A 84 8.163 -8.616 17.766 1.00 25.00 H new ATOM 0 HD22 ASN A 84 7.780 -6.930 17.402 1.00 25.00 H new ATOM 1428 N LEU A 85 2.789 -5.177 16.714 1.00 25.00 N ATOM 1429 CA LEU A 85 1.495 -4.565 17.020 1.00 25.00 C ATOM 1430 C LEU A 85 0.426 -5.134 16.093 1.00 25.00 C ATOM 1431 O LEU A 85 -0.664 -5.484 16.529 1.00 25.00 O ATOM 1432 CB LEU A 85 1.608 -3.034 16.871 1.00 25.00 C ATOM 1433 CG LEU A 85 0.458 -2.127 17.350 1.00 25.00 C ATOM 1434 CD1 LEU A 85 1.007 -0.710 17.550 1.00 25.00 C ATOM 1435 CD2 LEU A 85 -0.710 -2.068 16.354 1.00 25.00 C ATOM 0 H LEU A 85 3.486 -4.526 16.352 1.00 25.00 H new ATOM 0 HA LEU A 85 1.207 -4.791 18.047 1.00 25.00 H new ATOM 0 HB2 LEU A 85 2.509 -2.722 17.400 1.00 25.00 H new ATOM 0 HB3 LEU A 85 1.770 -2.822 15.814 1.00 25.00 H new ATOM 0 HG LEU A 85 0.072 -2.547 18.279 1.00 25.00 H new ATOM 0 HD11 LEU A 85 0.206 -0.054 17.889 1.00 25.00 H new ATOM 0 HD12 LEU A 85 1.801 -0.729 18.297 1.00 25.00 H new ATOM 0 HD13 LEU A 85 1.406 -0.338 16.606 1.00 25.00 H new ATOM 0 HD21 LEU A 85 -1.489 -1.414 16.746 1.00 25.00 H new ATOM 0 HD22 LEU A 85 -0.355 -1.678 15.400 1.00 25.00 H new ATOM 0 HD23 LEU A 85 -1.115 -3.069 16.209 1.00 25.00 H new ATOM 1447 N ILE A 86 0.742 -5.260 14.813 1.00 25.00 N ATOM 1448 CA ILE A 86 -0.222 -5.808 13.862 1.00 25.00 C ATOM 1449 C ILE A 86 -0.305 -7.324 14.031 1.00 25.00 C ATOM 1450 O ILE A 86 -1.359 -7.924 13.840 1.00 25.00 O ATOM 1451 CB ILE A 86 0.137 -5.458 12.396 1.00 25.00 C ATOM 1452 CG1 ILE A 86 0.234 -3.934 12.228 1.00 25.00 C ATOM 1453 CG2 ILE A 86 -0.932 -5.997 11.431 1.00 25.00 C ATOM 1454 CD1 ILE A 86 1.624 -3.470 11.889 1.00 25.00 C ATOM 0 H ILE A 86 1.641 -4.996 14.411 1.00 25.00 H new ATOM 0 HA ILE A 86 -1.190 -5.355 14.075 1.00 25.00 H new ATOM 0 HB ILE A 86 1.097 -5.920 12.163 1.00 25.00 H new ATOM 0 HG12 ILE A 86 -0.452 -3.616 11.443 1.00 25.00 H new ATOM 0 HG13 ILE A 86 -0.090 -3.451 13.149 1.00 25.00 H new ATOM 0 HG21 ILE A 86 -0.660 -5.740 10.407 1.00 25.00 H new ATOM 0 HG22 ILE A 86 -0.997 -7.081 11.528 1.00 25.00 H new ATOM 0 HG23 ILE A 86 -1.898 -5.553 11.673 1.00 25.00 H new ATOM 0 HD11 ILE A 86 1.630 -2.385 11.783 1.00 25.00 H new ATOM 0 HD12 ILE A 86 2.309 -3.760 12.686 1.00 25.00 H new ATOM 0 HD13 ILE A 86 1.942 -3.928 10.952 1.00 25.00 H new ATOM 1466 N LYS A 87 0.796 -7.946 14.435 1.00 25.00 N ATOM 1467 CA LYS A 87 0.813 -9.396 14.629 1.00 25.00 C ATOM 1468 C LYS A 87 -0.250 -9.810 15.635 1.00 25.00 C ATOM 1469 O LYS A 87 -0.991 -10.741 15.374 1.00 25.00 O ATOM 1470 CB LYS A 87 2.222 -9.871 15.042 1.00 25.00 C ATOM 1471 CG LYS A 87 2.281 -10.832 16.237 1.00 25.00 C ATOM 1472 CD LYS A 87 3.706 -11.158 16.598 1.00 25.00 C ATOM 1473 CE LYS A 87 3.770 -11.865 17.948 1.00 25.00 C ATOM 1474 NZ LYS A 87 5.187 -11.969 18.433 1.00 25.00 N ATOM 0 H LYS A 87 1.681 -7.478 14.633 1.00 25.00 H new ATOM 0 HA LYS A 87 0.573 -9.884 13.684 1.00 25.00 H new ATOM 0 HB2 LYS A 87 2.686 -10.359 14.185 1.00 25.00 H new ATOM 0 HB3 LYS A 87 2.826 -8.994 15.275 1.00 25.00 H new ATOM 0 HG2 LYS A 87 1.779 -10.383 17.094 1.00 25.00 H new ATOM 0 HG3 LYS A 87 1.744 -11.750 15.997 1.00 25.00 H new ATOM 0 HD2 LYS A 87 4.146 -11.792 15.828 1.00 25.00 H new ATOM 0 HD3 LYS A 87 4.297 -10.242 16.633 1.00 25.00 H new ATOM 0 HE2 LYS A 87 3.171 -11.319 18.677 1.00 25.00 H new ATOM 0 HE3 LYS A 87 3.337 -12.862 17.862 1.00 25.00 H new ATOM 0 HZ1 LYS A 87 5.199 -12.392 19.383 1.00 25.00 H new ATOM 0 HZ2 LYS A 87 5.734 -12.567 17.781 1.00 25.00 H new ATOM 0 HZ3 LYS A 87 5.611 -11.020 18.472 1.00 25.00 H new ATOM 1488 N GLU A 88 -0.364 -9.116 16.757 1.00 25.00 N ATOM 1489 CA GLU A 88 -1.355 -9.509 17.758 1.00 25.00 C ATOM 1490 C GLU A 88 -2.767 -9.118 17.323 1.00 25.00 C ATOM 1491 O GLU A 88 -3.731 -9.780 17.687 1.00 25.00 O ATOM 1492 CB GLU A 88 -1.003 -8.946 19.139 1.00 25.00 C ATOM 1493 CG GLU A 88 -0.992 -7.432 19.236 1.00 25.00 C ATOM 1494 CD GLU A 88 -0.574 -6.944 20.616 1.00 25.00 C ATOM 1495 OE1 GLU A 88 -0.267 -7.774 21.491 1.00 25.00 O ATOM 1496 OE2 GLU A 88 -0.576 -5.711 20.825 1.00 25.00 O ATOM 0 H GLU A 88 0.198 -8.300 16.998 1.00 25.00 H new ATOM 0 HA GLU A 88 -1.335 -10.596 17.841 1.00 25.00 H new ATOM 0 HB2 GLU A 88 -1.717 -9.335 19.865 1.00 25.00 H new ATOM 0 HB3 GLU A 88 -0.020 -9.320 19.426 1.00 25.00 H new ATOM 0 HG2 GLU A 88 -0.310 -7.027 18.488 1.00 25.00 H new ATOM 0 HG3 GLU A 88 -1.985 -7.048 19.003 1.00 25.00 H new ATOM 1503 N LEU A 89 -2.890 -8.097 16.481 1.00 25.00 N ATOM 1504 CA LEU A 89 -4.200 -7.725 15.943 1.00 25.00 C ATOM 1505 C LEU A 89 -4.735 -8.826 15.028 1.00 25.00 C ATOM 1506 O LEU A 89 -5.916 -9.147 15.075 1.00 25.00 O ATOM 1507 CB LEU A 89 -4.130 -6.399 15.175 1.00 25.00 C ATOM 1508 CG LEU A 89 -4.022 -5.119 16.025 1.00 25.00 C ATOM 1509 CD1 LEU A 89 -3.882 -3.915 15.090 1.00 25.00 C ATOM 1510 CD2 LEU A 89 -5.241 -4.934 16.946 1.00 25.00 C ATOM 0 H LEU A 89 -2.114 -7.519 16.159 1.00 25.00 H new ATOM 0 HA LEU A 89 -4.880 -7.598 16.786 1.00 25.00 H new ATOM 0 HB2 LEU A 89 -3.271 -6.437 14.505 1.00 25.00 H new ATOM 0 HB3 LEU A 89 -5.019 -6.319 14.549 1.00 25.00 H new ATOM 0 HG LEU A 89 -3.145 -5.205 16.667 1.00 25.00 H new ATOM 0 HD11 LEU A 89 -3.805 -3.002 15.681 1.00 25.00 H new ATOM 0 HD12 LEU A 89 -2.986 -4.030 14.481 1.00 25.00 H new ATOM 0 HD13 LEU A 89 -4.756 -3.854 14.442 1.00 25.00 H new ATOM 0 HD21 LEU A 89 -5.123 -4.019 17.527 1.00 25.00 H new ATOM 0 HD22 LEU A 89 -6.146 -4.866 16.342 1.00 25.00 H new ATOM 0 HD23 LEU A 89 -5.319 -5.786 17.622 1.00 25.00 H new ATOM 1522 N ILE A 90 -3.871 -9.420 14.217 1.00 25.00 N ATOM 1523 CA ILE A 90 -4.291 -10.514 13.334 1.00 25.00 C ATOM 1524 C ILE A 90 -4.467 -11.796 14.155 1.00 25.00 C ATOM 1525 O ILE A 90 -5.425 -12.537 13.964 1.00 25.00 O ATOM 1526 CB ILE A 90 -3.257 -10.783 12.191 1.00 25.00 C ATOM 1527 CG1 ILE A 90 -3.069 -9.527 11.316 1.00 25.00 C ATOM 1528 CG2 ILE A 90 -3.742 -11.949 11.283 1.00 25.00 C ATOM 1529 CD1 ILE A 90 -1.882 -9.630 10.337 1.00 25.00 C ATOM 0 H ILE A 90 -2.884 -9.171 14.147 1.00 25.00 H new ATOM 0 HA ILE A 90 -5.233 -10.216 12.873 1.00 25.00 H new ATOM 0 HB ILE A 90 -2.309 -11.047 12.660 1.00 25.00 H new ATOM 0 HG12 ILE A 90 -3.983 -9.349 10.749 1.00 25.00 H new ATOM 0 HG13 ILE A 90 -2.922 -8.662 11.963 1.00 25.00 H new ATOM 0 HG21 ILE A 90 -3.011 -12.123 10.493 1.00 25.00 H new ATOM 0 HG22 ILE A 90 -3.853 -12.854 11.881 1.00 25.00 H new ATOM 0 HG23 ILE A 90 -4.702 -11.688 10.838 1.00 25.00 H new ATOM 0 HD11 ILE A 90 -1.810 -8.712 9.754 1.00 25.00 H new ATOM 0 HD12 ILE A 90 -0.959 -9.777 10.898 1.00 25.00 H new ATOM 0 HD13 ILE A 90 -2.037 -10.474 9.665 1.00 25.00 H new ATOM 1541 N ASP A 91 -3.557 -12.044 15.087 1.00 25.00 N ATOM 1542 CA ASP A 91 -3.605 -13.254 15.922 1.00 25.00 C ATOM 1543 C ASP A 91 -4.894 -13.300 16.746 1.00 25.00 C ATOM 1544 O ASP A 91 -5.404 -14.371 17.067 1.00 25.00 O ATOM 1545 CB ASP A 91 -2.385 -13.289 16.848 1.00 25.00 C ATOM 1546 CG ASP A 91 -2.168 -14.648 17.488 1.00 25.00 C ATOM 1547 OD1 ASP A 91 -1.491 -15.501 16.861 1.00 25.00 O ATOM 1548 OD2 ASP A 91 -2.589 -14.837 18.651 1.00 25.00 O ATOM 0 H ASP A 91 -2.771 -11.426 15.290 1.00 25.00 H new ATOM 0 HA ASP A 91 -3.590 -14.127 15.270 1.00 25.00 H new ATOM 0 HB2 ASP A 91 -1.496 -13.014 16.280 1.00 25.00 H new ATOM 0 HB3 ASP A 91 -2.507 -12.540 17.630 1.00 25.00 H new ATOM 1553 N LYS A 92 -5.445 -12.128 17.043 1.00 25.00 N ATOM 1554 CA LYS A 92 -6.708 -12.019 17.775 1.00 25.00 C ATOM 1555 C LYS A 92 -7.787 -11.306 16.963 1.00 25.00 C ATOM 1556 O LYS A 92 -8.647 -10.623 17.521 1.00 25.00 O ATOM 1557 CB LYS A 92 -6.466 -11.314 19.120 1.00 25.00 C ATOM 1558 CG LYS A 92 -5.600 -12.136 20.079 1.00 25.00 C ATOM 1559 CD LYS A 92 -6.403 -13.297 20.678 1.00 25.00 C ATOM 1560 CE LYS A 92 -5.510 -14.374 21.269 1.00 25.00 C ATOM 1561 NZ LYS A 92 -4.928 -15.232 20.177 1.00 25.00 N ATOM 0 H LYS A 92 -5.034 -11.230 16.786 1.00 25.00 H new ATOM 0 HA LYS A 92 -7.079 -13.027 17.961 1.00 25.00 H new ATOM 0 HB2 LYS A 92 -5.985 -10.353 18.939 1.00 25.00 H new ATOM 0 HB3 LYS A 92 -7.426 -11.107 19.593 1.00 25.00 H new ATOM 0 HG2 LYS A 92 -4.731 -12.525 19.549 1.00 25.00 H new ATOM 0 HG3 LYS A 92 -5.226 -11.496 20.878 1.00 25.00 H new ATOM 0 HD2 LYS A 92 -7.067 -12.914 21.453 1.00 25.00 H new ATOM 0 HD3 LYS A 92 -7.034 -13.736 19.905 1.00 25.00 H new ATOM 0 HE2 LYS A 92 -4.707 -13.914 21.845 1.00 25.00 H new ATOM 0 HE3 LYS A 92 -6.084 -14.993 21.959 1.00 25.00 H new ATOM 0 HZ1 LYS A 92 -4.721 -16.179 20.553 1.00 25.00 H new ATOM 0 HZ2 LYS A 92 -5.611 -15.311 19.396 1.00 25.00 H new ATOM 0 HZ3 LYS A 92 -4.050 -14.799 19.826 1.00 25.00 H new ATOM 1575 N LYS A 93 -7.790 -11.514 15.648 1.00 25.00 N ATOM 1576 CA LYS A 93 -8.835 -10.945 14.778 1.00 25.00 C ATOM 1577 C LYS A 93 -10.204 -11.524 15.136 1.00 25.00 C ATOM 1578 O LYS A 93 -11.231 -10.929 14.855 1.00 25.00 O ATOM 1579 CB LYS A 93 -8.502 -11.201 13.297 1.00 25.00 C ATOM 1580 CG LYS A 93 -8.485 -12.689 12.880 1.00 25.00 C ATOM 1581 CD LYS A 93 -7.654 -12.910 11.603 1.00 25.00 C ATOM 1582 CE LYS A 93 -8.348 -12.433 10.346 1.00 25.00 C ATOM 1583 NZ LYS A 93 -9.414 -13.394 9.898 1.00 25.00 N ATOM 0 H LYS A 93 -7.088 -12.068 15.157 1.00 25.00 H new ATOM 0 HA LYS A 93 -8.870 -9.867 14.937 1.00 25.00 H new ATOM 0 HB2 LYS A 93 -9.230 -10.674 12.680 1.00 25.00 H new ATOM 0 HB3 LYS A 93 -7.526 -10.767 13.079 1.00 25.00 H new ATOM 0 HG2 LYS A 93 -8.074 -13.290 13.691 1.00 25.00 H new ATOM 0 HG3 LYS A 93 -9.506 -13.033 12.714 1.00 25.00 H new ATOM 0 HD2 LYS A 93 -6.702 -12.390 11.703 1.00 25.00 H new ATOM 0 HD3 LYS A 93 -7.428 -13.972 11.504 1.00 25.00 H new ATOM 0 HE2 LYS A 93 -8.793 -11.454 10.526 1.00 25.00 H new ATOM 0 HE3 LYS A 93 -7.614 -12.308 9.550 1.00 25.00 H new ATOM 0 HZ1 LYS A 93 -9.126 -13.840 9.004 1.00 25.00 H new ATOM 0 HZ2 LYS A 93 -9.548 -14.127 10.624 1.00 25.00 H new ATOM 0 HZ3 LYS A 93 -10.307 -12.880 9.756 1.00 25.00 H new ATOM 1597 N GLU A 94 -10.183 -12.661 15.814 1.00 25.00 N ATOM 1598 CA GLU A 94 -11.384 -13.344 16.296 1.00 25.00 C ATOM 1599 C GLU A 94 -12.227 -12.495 17.257 1.00 25.00 C ATOM 1600 O GLU A 94 -13.446 -12.579 17.247 1.00 25.00 O ATOM 1601 CB GLU A 94 -10.965 -14.636 17.020 1.00 25.00 C ATOM 1602 CG GLU A 94 -9.676 -14.483 17.862 1.00 25.00 C ATOM 1603 CD GLU A 94 -9.384 -15.686 18.744 1.00 25.00 C ATOM 1604 OE1 GLU A 94 -9.659 -16.826 18.326 1.00 25.00 O ATOM 1605 OE2 GLU A 94 -8.815 -15.483 19.842 1.00 25.00 O ATOM 0 H GLU A 94 -9.318 -13.147 16.051 1.00 25.00 H new ATOM 0 HA GLU A 94 -12.003 -13.550 15.423 1.00 25.00 H new ATOM 0 HB2 GLU A 94 -11.778 -14.958 17.671 1.00 25.00 H new ATOM 0 HB3 GLU A 94 -10.816 -15.424 16.282 1.00 25.00 H new ATOM 0 HG2 GLU A 94 -8.831 -14.319 17.193 1.00 25.00 H new ATOM 0 HG3 GLU A 94 -9.763 -13.595 18.488 1.00 25.00 H new ATOM 1612 N VAL A 95 -11.574 -11.691 18.087 1.00 25.00 N ATOM 1613 CA VAL A 95 -12.270 -10.897 19.109 1.00 25.00 C ATOM 1614 C VAL A 95 -12.114 -9.407 18.835 1.00 25.00 C ATOM 1615 O VAL A 95 -12.515 -8.563 19.631 1.00 25.00 O ATOM 1616 CB VAL A 95 -11.751 -11.243 20.539 1.00 25.00 C ATOM 1617 CG1 VAL A 95 -12.065 -12.710 20.878 1.00 25.00 C ATOM 1618 CG2 VAL A 95 -10.233 -10.999 20.659 1.00 25.00 C ATOM 0 H VAL A 95 -10.562 -11.567 18.077 1.00 25.00 H new ATOM 0 HA VAL A 95 -13.329 -11.149 19.061 1.00 25.00 H new ATOM 0 HB VAL A 95 -12.262 -10.588 21.245 1.00 25.00 H new ATOM 0 HG11 VAL A 95 -11.698 -12.939 21.878 1.00 25.00 H new ATOM 0 HG12 VAL A 95 -13.143 -12.869 20.842 1.00 25.00 H new ATOM 0 HG13 VAL A 95 -11.577 -13.363 20.154 1.00 25.00 H new ATOM 0 HG21 VAL A 95 -9.903 -11.250 21.667 1.00 25.00 H new ATOM 0 HG22 VAL A 95 -9.706 -11.624 19.939 1.00 25.00 H new ATOM 0 HG23 VAL A 95 -10.016 -9.950 20.456 1.00 25.00 H new ATOM 1628 N ASN A 96 -11.550 -9.088 17.681 1.00 25.00 N ATOM 1629 CA ASN A 96 -11.369 -7.700 17.259 1.00 25.00 C ATOM 1630 C ASN A 96 -12.061 -7.506 15.910 1.00 25.00 C ATOM 1631 O ASN A 96 -11.407 -7.499 14.862 1.00 25.00 O ATOM 1632 CB ASN A 96 -9.881 -7.362 17.147 1.00 25.00 C ATOM 1633 CG ASN A 96 -9.244 -7.102 18.480 1.00 25.00 C ATOM 1634 OD1 ASN A 96 -9.377 -6.022 19.029 1.00 25.00 O ATOM 1635 ND2 ASN A 96 -8.532 -8.062 18.992 1.00 25.00 N ATOM 0 H ASN A 96 -11.205 -9.776 17.011 1.00 25.00 H new ATOM 0 HA ASN A 96 -11.809 -7.032 18.000 1.00 25.00 H new ATOM 0 HB2 ASN A 96 -9.362 -8.185 16.655 1.00 25.00 H new ATOM 0 HB3 ASN A 96 -9.759 -6.484 16.513 1.00 25.00 H new ATOM 0 HD21 ASN A 96 -8.059 -7.926 19.886 1.00 25.00 H new ATOM 0 HD22 ASN A 96 -8.446 -8.951 18.500 1.00 25.00 H new ATOM 1642 N PRO A 97 -13.398 -7.332 15.910 1.00 25.00 N ATOM 1643 CA PRO A 97 -14.077 -7.234 14.612 1.00 25.00 C ATOM 1644 C PRO A 97 -13.707 -5.994 13.800 1.00 25.00 C ATOM 1645 O PRO A 97 -13.823 -5.996 12.578 1.00 25.00 O ATOM 1646 CB PRO A 97 -15.560 -7.231 15.000 1.00 25.00 C ATOM 1647 CG PRO A 97 -15.582 -6.666 16.369 1.00 25.00 C ATOM 1648 CD PRO A 97 -14.363 -7.253 17.024 1.00 25.00 C ATOM 0 HA PRO A 97 -13.790 -8.051 13.950 1.00 25.00 H new ATOM 0 HB2 PRO A 97 -16.150 -6.626 14.311 1.00 25.00 H new ATOM 0 HB3 PRO A 97 -15.978 -8.237 14.979 1.00 25.00 H new ATOM 0 HG2 PRO A 97 -15.541 -5.577 16.352 1.00 25.00 H new ATOM 0 HG3 PRO A 97 -16.493 -6.942 16.900 1.00 25.00 H new ATOM 0 HD2 PRO A 97 -13.995 -6.622 17.833 1.00 25.00 H new ATOM 0 HD3 PRO A 97 -14.567 -8.234 17.452 1.00 25.00 H new ATOM 1656 N GLN A 98 -13.205 -4.959 14.462 1.00 25.00 N ATOM 1657 CA GLN A 98 -12.782 -3.757 13.760 1.00 25.00 C ATOM 1658 C GLN A 98 -11.615 -4.107 12.862 1.00 25.00 C ATOM 1659 O GLN A 98 -11.615 -3.783 11.685 1.00 25.00 O ATOM 1660 CB GLN A 98 -12.349 -2.657 14.741 1.00 25.00 C ATOM 1661 CG GLN A 98 -13.498 -1.803 15.286 1.00 25.00 C ATOM 1662 CD GLN A 98 -14.441 -2.581 16.175 1.00 25.00 C ATOM 1663 OE1 GLN A 98 -15.473 -3.044 15.735 1.00 25.00 O ATOM 1664 NE2 GLN A 98 -14.084 -2.736 17.423 1.00 25.00 N ATOM 0 H GLN A 98 -13.082 -4.928 15.474 1.00 25.00 H new ATOM 0 HA GLN A 98 -13.623 -3.380 13.178 1.00 25.00 H new ATOM 0 HB2 GLN A 98 -11.828 -3.120 15.579 1.00 25.00 H new ATOM 0 HB3 GLN A 98 -11.633 -2.004 14.242 1.00 25.00 H new ATOM 0 HG2 GLN A 98 -13.086 -0.965 15.848 1.00 25.00 H new ATOM 0 HG3 GLN A 98 -14.058 -1.382 14.451 1.00 25.00 H new ATOM 0 HE21 GLN A 98 -13.209 -2.332 17.757 1.00 25.00 H new ATOM 0 HE22 GLN A 98 -14.681 -3.261 18.063 1.00 25.00 H new ATOM 1673 N VAL A 99 -10.608 -4.772 13.405 1.00 25.00 N ATOM 1674 CA VAL A 99 -9.441 -5.052 12.595 1.00 25.00 C ATOM 1675 C VAL A 99 -9.708 -6.199 11.643 1.00 25.00 C ATOM 1676 O VAL A 99 -9.176 -6.206 10.564 1.00 25.00 O ATOM 1677 CB VAL A 99 -8.148 -5.264 13.425 1.00 25.00 C ATOM 1678 CG1 VAL A 99 -8.036 -4.154 14.482 1.00 25.00 C ATOM 1679 CG2 VAL A 99 -8.100 -6.650 14.068 1.00 25.00 C ATOM 0 H VAL A 99 -10.575 -5.115 14.365 1.00 25.00 H new ATOM 0 HA VAL A 99 -9.251 -4.158 12.001 1.00 25.00 H new ATOM 0 HB VAL A 99 -7.292 -5.208 12.752 1.00 25.00 H new ATOM 0 HG11 VAL A 99 -7.128 -4.300 15.068 1.00 25.00 H new ATOM 0 HG12 VAL A 99 -7.997 -3.183 13.988 1.00 25.00 H new ATOM 0 HG13 VAL A 99 -8.903 -4.191 15.142 1.00 25.00 H new ATOM 0 HG21 VAL A 99 -7.178 -6.754 14.639 1.00 25.00 H new ATOM 0 HG22 VAL A 99 -8.955 -6.772 14.733 1.00 25.00 H new ATOM 0 HG23 VAL A 99 -8.133 -7.413 13.290 1.00 25.00 H new ATOM 1689 N MET A 100 -10.605 -7.111 11.995 1.00 25.00 N ATOM 1690 CA MET A 100 -11.008 -8.190 11.087 1.00 25.00 C ATOM 1691 C MET A 100 -11.571 -7.606 9.793 1.00 25.00 C ATOM 1692 O MET A 100 -11.224 -8.051 8.699 1.00 25.00 O ATOM 1693 CB MET A 100 -12.054 -9.072 11.774 1.00 25.00 C ATOM 1694 CG MET A 100 -12.776 -10.056 10.863 1.00 25.00 C ATOM 1695 SD MET A 100 -11.667 -11.178 10.011 1.00 25.00 S ATOM 1696 CE MET A 100 -12.416 -11.196 8.368 1.00 25.00 C ATOM 0 H MET A 100 -11.071 -7.130 12.902 1.00 25.00 H new ATOM 0 HA MET A 100 -10.137 -8.797 10.840 1.00 25.00 H new ATOM 0 HB2 MET A 100 -11.566 -9.632 12.572 1.00 25.00 H new ATOM 0 HB3 MET A 100 -12.796 -8.427 12.245 1.00 25.00 H new ATOM 0 HG2 MET A 100 -13.484 -10.636 11.455 1.00 25.00 H new ATOM 0 HG3 MET A 100 -13.356 -9.500 10.126 1.00 25.00 H new ATOM 0 HE1 MET A 100 -11.812 -11.809 7.699 1.00 25.00 H new ATOM 0 HE2 MET A 100 -13.422 -11.611 8.431 1.00 25.00 H new ATOM 0 HE3 MET A 100 -12.467 -10.179 7.980 1.00 25.00 H new ATOM 1706 N ALA A 101 -12.381 -6.563 9.910 1.00 25.00 N ATOM 1707 CA ALA A 101 -12.920 -5.898 8.731 1.00 25.00 C ATOM 1708 C ALA A 101 -11.783 -5.294 7.898 1.00 25.00 C ATOM 1709 O ALA A 101 -11.845 -5.273 6.677 1.00 25.00 O ATOM 1710 CB ALA A 101 -13.913 -4.808 9.156 1.00 25.00 C ATOM 0 H ALA A 101 -12.677 -6.162 10.800 1.00 25.00 H new ATOM 0 HA ALA A 101 -13.445 -6.630 8.117 1.00 25.00 H new ATOM 0 HB1 ALA A 101 -14.313 -4.314 8.270 1.00 25.00 H new ATOM 0 HB2 ALA A 101 -14.730 -5.259 9.719 1.00 25.00 H new ATOM 0 HB3 ALA A 101 -13.403 -4.075 9.781 1.00 25.00 H new ATOM 1716 N ALA A 102 -10.739 -4.818 8.558 1.00 25.00 N ATOM 1717 CA ALA A 102 -9.622 -4.202 7.861 1.00 25.00 C ATOM 1718 C ALA A 102 -8.738 -5.271 7.217 1.00 25.00 C ATOM 1719 O ALA A 102 -8.141 -5.018 6.186 1.00 25.00 O ATOM 1720 CB ALA A 102 -8.816 -3.339 8.822 1.00 25.00 C ATOM 0 H ALA A 102 -10.642 -4.846 9.573 1.00 25.00 H new ATOM 0 HA ALA A 102 -10.012 -3.563 7.068 1.00 25.00 H new ATOM 0 HB1 ALA A 102 -7.982 -2.883 8.289 1.00 25.00 H new ATOM 0 HB2 ALA A 102 -9.455 -2.558 9.233 1.00 25.00 H new ATOM 0 HB3 ALA A 102 -8.433 -3.958 9.633 1.00 25.00 H new ATOM 1726 N VAL A 103 -8.679 -6.463 7.799 1.00 25.00 N ATOM 1727 CA VAL A 103 -7.903 -7.561 7.213 1.00 25.00 C ATOM 1728 C VAL A 103 -8.515 -7.901 5.865 1.00 25.00 C ATOM 1729 O VAL A 103 -7.816 -7.941 4.855 1.00 25.00 O ATOM 1730 CB VAL A 103 -7.906 -8.841 8.122 1.00 25.00 C ATOM 1731 CG1 VAL A 103 -7.225 -10.023 7.422 1.00 25.00 C ATOM 1732 CG2 VAL A 103 -7.190 -8.558 9.447 1.00 25.00 C ATOM 0 H VAL A 103 -9.154 -6.698 8.670 1.00 25.00 H new ATOM 0 HA VAL A 103 -6.867 -7.239 7.112 1.00 25.00 H new ATOM 0 HB VAL A 103 -8.946 -9.102 8.317 1.00 25.00 H new ATOM 0 HG11 VAL A 103 -7.243 -10.894 8.077 1.00 25.00 H new ATOM 0 HG12 VAL A 103 -7.755 -10.253 6.498 1.00 25.00 H new ATOM 0 HG13 VAL A 103 -6.192 -9.764 7.192 1.00 25.00 H new ATOM 0 HG21 VAL A 103 -7.201 -9.455 10.065 1.00 25.00 H new ATOM 0 HG22 VAL A 103 -6.159 -8.267 9.248 1.00 25.00 H new ATOM 0 HG23 VAL A 103 -7.700 -7.750 9.971 1.00 25.00 H new ATOM 1742 N ALA A 104 -9.827 -8.093 5.850 1.00 25.00 N ATOM 1743 CA ALA A 104 -10.526 -8.452 4.621 1.00 25.00 C ATOM 1744 C ALA A 104 -10.406 -7.326 3.594 1.00 25.00 C ATOM 1745 O ALA A 104 -10.088 -7.560 2.435 1.00 25.00 O ATOM 1746 CB ALA A 104 -11.998 -8.750 4.926 1.00 25.00 C ATOM 0 H ALA A 104 -10.427 -8.007 6.670 1.00 25.00 H new ATOM 0 HA ALA A 104 -10.068 -9.348 4.201 1.00 25.00 H new ATOM 0 HB1 ALA A 104 -12.514 -9.017 4.004 1.00 25.00 H new ATOM 0 HB2 ALA A 104 -12.063 -9.578 5.631 1.00 25.00 H new ATOM 0 HB3 ALA A 104 -12.466 -7.866 5.360 1.00 25.00 H new ATOM 1752 N GLN A 105 -10.615 -6.097 4.040 1.00 25.00 N ATOM 1753 CA GLN A 105 -10.511 -4.952 3.146 1.00 25.00 C ATOM 1754 C GLN A 105 -9.105 -4.820 2.569 1.00 25.00 C ATOM 1755 O GLN A 105 -8.957 -4.499 1.400 1.00 25.00 O ATOM 1756 CB GLN A 105 -10.882 -3.663 3.881 1.00 25.00 C ATOM 1757 CG GLN A 105 -12.397 -3.462 4.055 1.00 25.00 C ATOM 1758 CD GLN A 105 -12.752 -2.197 4.835 1.00 25.00 C ATOM 1759 OE1 GLN A 105 -11.779 -1.600 5.480 1.00 25.00 O flip ATOM 1760 NE2 GLN A 105 -13.890 -1.763 4.843 1.00 25.00 N flip ATOM 0 H GLN A 105 -10.855 -5.867 5.004 1.00 25.00 H new ATOM 0 HA GLN A 105 -11.208 -5.116 2.324 1.00 25.00 H new ATOM 0 HB2 GLN A 105 -10.410 -3.667 4.864 1.00 25.00 H new ATOM 0 HB3 GLN A 105 -10.473 -2.813 3.335 1.00 25.00 H new ATOM 0 HG2 GLN A 105 -12.866 -3.418 3.072 1.00 25.00 H new ATOM 0 HG3 GLN A 105 -12.815 -4.327 4.570 1.00 25.00 H new ATOM 0 HE21 GLN A 105 -14.625 -2.250 4.331 1.00 25.00 H new ATOM 0 HE22 GLN A 105 -14.108 -0.912 5.362 1.00 25.00 H new ATOM 1769 N THR A 106 -8.067 -5.066 3.357 1.00 25.00 N ATOM 1770 CA THR A 106 -6.711 -4.928 2.836 1.00 25.00 C ATOM 1771 C THR A 106 -6.439 -6.029 1.812 1.00 25.00 C ATOM 1772 O THR A 106 -5.800 -5.776 0.798 1.00 25.00 O ATOM 1773 CB THR A 106 -5.647 -4.966 3.956 1.00 25.00 C ATOM 1774 OG1 THR A 106 -5.983 -4.017 4.966 1.00 25.00 O ATOM 1775 CG2 THR A 106 -4.274 -4.583 3.428 1.00 25.00 C ATOM 0 H THR A 106 -8.131 -5.354 4.333 1.00 25.00 H new ATOM 0 HA THR A 106 -6.638 -3.951 2.357 1.00 25.00 H new ATOM 0 HB THR A 106 -5.624 -5.983 4.349 1.00 25.00 H new ATOM 0 HG1 THR A 106 -6.571 -4.438 5.627 1.00 25.00 H new ATOM 0 HG21 THR A 106 -3.548 -4.620 4.241 1.00 25.00 H new ATOM 0 HG22 THR A 106 -3.978 -5.281 2.645 1.00 25.00 H new ATOM 0 HG23 THR A 106 -4.310 -3.573 3.019 1.00 25.00 H new ATOM 1783 N GLU A 107 -6.958 -7.231 2.036 1.00 25.00 N ATOM 1784 CA GLU A 107 -6.792 -8.308 1.057 1.00 25.00 C ATOM 1785 C GLU A 107 -7.445 -7.914 -0.266 1.00 25.00 C ATOM 1786 O GLU A 107 -6.852 -8.092 -1.323 1.00 25.00 O ATOM 1787 CB GLU A 107 -7.396 -9.630 1.559 1.00 25.00 C ATOM 1788 CG GLU A 107 -6.570 -10.291 2.648 1.00 25.00 C ATOM 1789 CD GLU A 107 -7.109 -11.648 3.079 1.00 25.00 C ATOM 1790 OE1 GLU A 107 -8.245 -11.724 3.586 1.00 25.00 O ATOM 1791 OE2 GLU A 107 -6.351 -12.645 2.961 1.00 25.00 O ATOM 0 H GLU A 107 -7.488 -7.485 2.869 1.00 25.00 H new ATOM 0 HA GLU A 107 -5.723 -8.461 0.910 1.00 25.00 H new ATOM 0 HB2 GLU A 107 -8.401 -9.442 1.938 1.00 25.00 H new ATOM 0 HB3 GLU A 107 -7.496 -10.318 0.720 1.00 25.00 H new ATOM 0 HG2 GLU A 107 -5.546 -10.411 2.294 1.00 25.00 H new ATOM 0 HG3 GLU A 107 -6.532 -9.632 3.515 1.00 25.00 H new ATOM 1798 N GLU A 108 -8.644 -7.349 -0.216 1.00 25.00 N ATOM 1799 CA GLU A 108 -9.342 -6.942 -1.437 1.00 25.00 C ATOM 1800 C GLU A 108 -8.603 -5.821 -2.163 1.00 25.00 C ATOM 1801 O GLU A 108 -8.463 -5.852 -3.381 1.00 25.00 O ATOM 1802 CB GLU A 108 -10.762 -6.476 -1.116 1.00 25.00 C ATOM 1803 CG GLU A 108 -11.692 -7.598 -0.684 1.00 25.00 C ATOM 1804 CD GLU A 108 -13.105 -7.097 -0.436 1.00 25.00 C ATOM 1805 OE1 GLU A 108 -13.745 -6.623 -1.399 1.00 25.00 O ATOM 1806 OE2 GLU A 108 -13.568 -7.156 0.724 1.00 25.00 O ATOM 0 H GLU A 108 -9.154 -7.161 0.647 1.00 25.00 H new ATOM 0 HA GLU A 108 -9.379 -7.815 -2.089 1.00 25.00 H new ATOM 0 HB2 GLU A 108 -10.719 -5.727 -0.325 1.00 25.00 H new ATOM 0 HB3 GLU A 108 -11.182 -5.987 -1.995 1.00 25.00 H new ATOM 0 HG2 GLU A 108 -11.710 -8.371 -1.452 1.00 25.00 H new ATOM 0 HG3 GLU A 108 -11.306 -8.061 0.224 1.00 25.00 H new ATOM 1813 N ILE A 109 -8.101 -4.848 -1.417 1.00 25.00 N ATOM 1814 CA ILE A 109 -7.365 -3.726 -2.009 1.00 25.00 C ATOM 1815 C ILE A 109 -6.095 -4.249 -2.679 1.00 25.00 C ATOM 1816 O ILE A 109 -5.733 -3.807 -3.770 1.00 25.00 O ATOM 1817 CB ILE A 109 -7.023 -2.646 -0.925 1.00 25.00 C ATOM 1818 CG1 ILE A 109 -8.326 -1.970 -0.448 1.00 25.00 C ATOM 1819 CG2 ILE A 109 -6.055 -1.562 -1.483 1.00 25.00 C ATOM 1820 CD1 ILE A 109 -8.196 -1.212 0.876 1.00 25.00 C ATOM 0 H ILE A 109 -8.186 -4.807 -0.401 1.00 25.00 H new ATOM 0 HA ILE A 109 -7.992 -3.247 -2.761 1.00 25.00 H new ATOM 0 HB ILE A 109 -6.528 -3.147 -0.093 1.00 25.00 H new ATOM 0 HG12 ILE A 109 -8.665 -1.277 -1.218 1.00 25.00 H new ATOM 0 HG13 ILE A 109 -9.099 -2.731 -0.343 1.00 25.00 H new ATOM 0 HG21 ILE A 109 -5.840 -0.830 -0.704 1.00 25.00 H new ATOM 0 HG22 ILE A 109 -5.126 -2.034 -1.804 1.00 25.00 H new ATOM 0 HG23 ILE A 109 -6.520 -1.062 -2.333 1.00 25.00 H new ATOM 0 HD11 ILE A 109 -9.157 -0.768 1.137 1.00 25.00 H new ATOM 0 HD12 ILE A 109 -7.890 -1.902 1.662 1.00 25.00 H new ATOM 0 HD13 ILE A 109 -7.449 -0.425 0.773 1.00 25.00 H new ATOM 1832 N LEU A 110 -5.439 -5.218 -2.060 1.00 25.00 N ATOM 1833 CA LEU A 110 -4.227 -5.802 -2.635 1.00 25.00 C ATOM 1834 C LEU A 110 -4.530 -6.541 -3.943 1.00 25.00 C ATOM 1835 O LEU A 110 -3.790 -6.400 -4.905 1.00 25.00 O ATOM 1836 CB LEU A 110 -3.561 -6.739 -1.620 1.00 25.00 C ATOM 1837 CG LEU A 110 -2.412 -6.123 -0.791 1.00 25.00 C ATOM 1838 CD1 LEU A 110 -2.702 -4.721 -0.235 1.00 25.00 C ATOM 1839 CD2 LEU A 110 -2.072 -7.057 0.374 1.00 25.00 C ATOM 0 H LEU A 110 -5.719 -5.618 -1.165 1.00 25.00 H new ATOM 0 HA LEU A 110 -3.536 -4.992 -2.870 1.00 25.00 H new ATOM 0 HB2 LEU A 110 -4.325 -7.102 -0.933 1.00 25.00 H new ATOM 0 HB3 LEU A 110 -3.174 -7.607 -2.154 1.00 25.00 H new ATOM 0 HG LEU A 110 -1.576 -6.010 -1.481 1.00 25.00 H new ATOM 0 HD11 LEU A 110 -1.840 -4.369 0.333 1.00 25.00 H new ATOM 0 HD12 LEU A 110 -2.898 -4.036 -1.060 1.00 25.00 H new ATOM 0 HD13 LEU A 110 -3.574 -4.762 0.417 1.00 25.00 H new ATOM 0 HD21 LEU A 110 -1.261 -6.626 0.961 1.00 25.00 H new ATOM 0 HD22 LEU A 110 -2.951 -7.184 1.006 1.00 25.00 H new ATOM 0 HD23 LEU A 110 -1.762 -8.027 -0.016 1.00 25.00 H new ATOM 1851 N LYS A 111 -5.636 -7.274 -4.005 1.00 25.00 N ATOM 1852 CA LYS A 111 -6.050 -7.940 -5.249 1.00 25.00 C ATOM 1853 C LYS A 111 -6.491 -6.947 -6.321 1.00 25.00 C ATOM 1854 O LYS A 111 -6.367 -7.218 -7.508 1.00 25.00 O ATOM 1855 CB LYS A 111 -7.221 -8.898 -4.979 1.00 25.00 C ATOM 1856 CG LYS A 111 -6.919 -10.014 -3.985 1.00 25.00 C ATOM 1857 CD LYS A 111 -5.888 -10.984 -4.504 1.00 25.00 C ATOM 1858 CE LYS A 111 -5.453 -11.952 -3.412 1.00 25.00 C ATOM 1859 NZ LYS A 111 -6.586 -12.598 -2.671 1.00 25.00 N ATOM 0 H LYS A 111 -6.264 -7.426 -3.216 1.00 25.00 H new ATOM 0 HA LYS A 111 -5.178 -8.484 -5.611 1.00 25.00 H new ATOM 0 HB2 LYS A 111 -8.067 -8.319 -4.608 1.00 25.00 H new ATOM 0 HB3 LYS A 111 -7.531 -9.346 -5.923 1.00 25.00 H new ATOM 0 HG2 LYS A 111 -6.566 -9.578 -3.050 1.00 25.00 H new ATOM 0 HG3 LYS A 111 -7.839 -10.553 -3.758 1.00 25.00 H new ATOM 0 HD2 LYS A 111 -6.298 -11.541 -5.346 1.00 25.00 H new ATOM 0 HD3 LYS A 111 -5.022 -10.436 -4.876 1.00 25.00 H new ATOM 0 HE2 LYS A 111 -4.836 -12.731 -3.859 1.00 25.00 H new ATOM 0 HE3 LYS A 111 -4.826 -11.418 -2.698 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 -6.213 -13.338 -2.043 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 -7.084 -11.882 -2.105 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 -7.248 -13.023 -3.351 1.00 25.00 H new