USER MOD reduce.3.24.130724 H: found=0, std=0, add=704, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 704 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 Single : A 10 MET CE :methyl 169:sc=-0.00584 (180deg=-0.152) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= -0.172 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -132:sc= 0.0674 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HE2:sc= -12.1! C(o=-12!,f=-13!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.7 K(o=-0.7,f=-1.2) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -67:sc= 0.038 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.0549 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN :FLIP amide:sc= -1.34 F(o=-1.9,f=-1.3) USER MOD Single : A 57 THR OG1 : rot -48:sc= -0.285! USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 26:sc= 0.0172 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.162 K(o=-0.16,f=-2.9!) USER MOD Single : A 75 HIS :FLIP no HE2:sc= -0.79 F(o=-3,f=-0.79) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 HIS :FLIP no HD1:sc= -0.158 F(o=-0.93,f=-0.16) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot -11:sc= -1.86 USER MOD Single : A 92 GLN :FLIP amide:sc= -0.298 F(o=-1.1,f=-0.3) USER MOD Single : A 99 GLN : amide:sc= -0.114 K(o=-0.11,f=-1.4!) USER MOD Single : A 102 THR OG1 : rot -36:sc= 0.804 USER MOD ----------------------------------------------------------------- ATOM 91 N MET A 10 -7.321 0.146 5.250 1.00 0.00 N ATOM 92 CA MET A 10 -5.991 0.624 5.588 1.00 0.00 C ATOM 93 C MET A 10 -5.969 2.150 5.701 1.00 0.00 C ATOM 94 O MET A 10 -6.303 2.851 4.748 1.00 0.00 O ATOM 95 CB MET A 10 -4.999 0.177 4.513 1.00 0.00 C ATOM 96 CG MET A 10 -3.570 0.155 5.060 1.00 0.00 C ATOM 97 SD MET A 10 -3.420 -1.093 6.327 1.00 0.00 S ATOM 98 CE MET A 10 -2.105 -0.387 7.304 1.00 0.00 C ATOM 0 HA MET A 10 -5.708 0.203 6.553 1.00 0.00 H new ATOM 0 HB2 MET A 10 -5.270 -0.816 4.154 1.00 0.00 H new ATOM 0 HB3 MET A 10 -5.055 0.852 3.659 1.00 0.00 H new ATOM 0 HG2 MET A 10 -2.866 -0.048 4.253 1.00 0.00 H new ATOM 0 HG3 MET A 10 -3.313 1.132 5.469 1.00 0.00 H new ATOM 0 HE1 MET A 10 -2.014 -0.935 8.242 1.00 0.00 H new ATOM 0 HE2 MET A 10 -1.167 -0.453 6.753 1.00 0.00 H new ATOM 0 HE3 MET A 10 -2.329 0.659 7.515 1.00 0.00 H new ATOM 108 N SER A 11 -5.571 2.618 6.875 1.00 0.00 N ATOM 109 CA SER A 11 -5.501 4.048 7.125 1.00 0.00 C ATOM 110 C SER A 11 -4.419 4.345 8.165 1.00 0.00 C ATOM 111 O SER A 11 -4.199 3.553 9.080 1.00 0.00 O ATOM 112 CB SER A 11 -6.852 4.592 7.594 1.00 0.00 C ATOM 113 OG SER A 11 -6.990 4.529 9.011 1.00 0.00 O ATOM 0 H SER A 11 -5.294 2.033 7.663 1.00 0.00 H new ATOM 0 HA SER A 11 -5.244 4.546 6.190 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.961 5.625 7.265 1.00 0.00 H new ATOM 0 HB3 SER A 11 -7.655 4.022 7.126 1.00 0.00 H new ATOM 0 HG SER A 11 -7.865 4.887 9.271 1.00 0.00 H new ATOM 119 N GLY A 12 -3.772 5.487 7.990 1.00 0.00 N ATOM 120 CA GLY A 12 -2.718 5.898 8.902 1.00 0.00 C ATOM 121 C GLY A 12 -1.740 6.853 8.214 1.00 0.00 C ATOM 122 O GLY A 12 -1.332 6.618 7.078 1.00 0.00 O ATOM 0 H GLY A 12 -3.957 6.141 7.230 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -3.156 6.385 9.773 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -2.182 5.020 9.263 1.00 0.00 H new ATOM 126 N TYR A 13 -1.392 7.911 8.933 1.00 0.00 N ATOM 127 CA TYR A 13 -0.469 8.902 8.406 1.00 0.00 C ATOM 128 C TYR A 13 0.787 8.236 7.841 1.00 0.00 C ATOM 129 O TYR A 13 1.315 7.296 8.432 1.00 0.00 O ATOM 130 CB TYR A 13 -0.075 9.783 9.593 1.00 0.00 C ATOM 131 CG TYR A 13 -1.014 10.968 9.828 1.00 0.00 C ATOM 132 CD1 TYR A 13 -1.025 12.026 8.943 1.00 0.00 C ATOM 133 CD2 TYR A 13 -1.851 10.977 10.926 1.00 0.00 C ATOM 134 CE1 TYR A 13 -1.909 13.141 9.165 1.00 0.00 C ATOM 135 CE2 TYR A 13 -2.736 12.092 11.147 1.00 0.00 C ATOM 136 CZ TYR A 13 -2.721 13.119 10.255 1.00 0.00 C ATOM 137 OH TYR A 13 -3.556 14.171 10.464 1.00 0.00 O ATOM 0 H TYR A 13 -1.732 8.103 9.875 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.934 9.469 7.600 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.048 9.170 10.494 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.935 10.160 9.433 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -0.371 12.018 8.084 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.842 10.149 11.619 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.926 13.976 8.481 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.396 12.112 12.001 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.077 14.018 11.280 1.00 0.00 H new ATOM 147 N LEU A 14 1.230 8.751 6.703 1.00 0.00 N ATOM 148 CA LEU A 14 2.414 8.218 6.052 1.00 0.00 C ATOM 149 C LEU A 14 3.248 9.374 5.494 1.00 0.00 C ATOM 150 O LEU A 14 2.737 10.477 5.304 1.00 0.00 O ATOM 151 CB LEU A 14 2.025 7.177 5.000 1.00 0.00 C ATOM 152 CG LEU A 14 1.553 5.825 5.538 1.00 0.00 C ATOM 153 CD1 LEU A 14 1.037 4.935 4.405 1.00 0.00 C ATOM 154 CD2 LEU A 14 2.657 5.141 6.346 1.00 0.00 C ATOM 0 H LEU A 14 0.790 9.532 6.216 1.00 0.00 H new ATOM 0 HA LEU A 14 3.040 7.691 6.772 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.233 7.595 4.379 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.884 7.008 4.350 1.00 0.00 H new ATOM 0 HG LEU A 14 0.718 6.000 6.217 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.708 3.980 4.814 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.199 5.426 3.909 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.836 4.765 3.684 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.295 4.182 6.717 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.527 4.979 5.709 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.937 5.774 7.188 1.00 0.00 H new ATOM 166 N TYR A 15 4.516 9.081 5.247 1.00 0.00 N ATOM 167 CA TYR A 15 5.425 10.082 4.714 1.00 0.00 C ATOM 168 C TYR A 15 5.750 9.802 3.246 1.00 0.00 C ATOM 169 O TYR A 15 6.402 8.808 2.929 1.00 0.00 O ATOM 170 CB TYR A 15 6.708 9.967 5.539 1.00 0.00 C ATOM 171 CG TYR A 15 6.514 10.236 7.033 1.00 0.00 C ATOM 172 CD1 TYR A 15 5.926 11.412 7.452 1.00 0.00 C ATOM 173 CD2 TYR A 15 6.927 9.302 7.961 1.00 0.00 C ATOM 174 CE1 TYR A 15 5.743 11.664 8.858 1.00 0.00 C ATOM 175 CE2 TYR A 15 6.744 9.554 9.367 1.00 0.00 C ATOM 176 CZ TYR A 15 6.161 10.723 9.746 1.00 0.00 C ATOM 177 OH TYR A 15 5.988 10.961 11.074 1.00 0.00 O ATOM 0 H TYR A 15 4.936 8.165 5.406 1.00 0.00 H new ATOM 0 HA TYR A 15 4.979 11.075 4.770 1.00 0.00 H new ATOM 0 HB2 TYR A 15 7.121 8.967 5.411 1.00 0.00 H new ATOM 0 HB3 TYR A 15 7.444 10.669 5.147 1.00 0.00 H new ATOM 0 HD1 TYR A 15 5.603 12.143 6.726 1.00 0.00 H new ATOM 0 HD2 TYR A 15 7.388 8.382 7.633 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.284 12.580 9.199 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.062 8.831 10.104 1.00 0.00 H new ATOM 0 HH TYR A 15 6.332 10.202 11.590 1.00 0.00 H new ATOM 187 N ARG A 16 5.280 10.696 2.388 1.00 0.00 N ATOM 188 CA ARG A 16 5.513 10.557 0.961 1.00 0.00 C ATOM 189 C ARG A 16 6.775 11.320 0.552 1.00 0.00 C ATOM 190 O ARG A 16 7.010 12.433 1.019 1.00 0.00 O ATOM 191 CB ARG A 16 4.323 11.084 0.155 1.00 0.00 C ATOM 192 CG ARG A 16 4.127 10.272 -1.127 1.00 0.00 C ATOM 193 CD ARG A 16 3.116 10.949 -2.055 1.00 0.00 C ATOM 194 NE ARG A 16 1.924 10.087 -2.220 1.00 0.00 N ATOM 195 CZ ARG A 16 0.922 10.346 -3.070 1.00 0.00 C ATOM 196 NH1 ARG A 16 0.961 11.444 -3.837 1.00 0.00 N ATOM 197 NH2 ARG A 16 -0.120 9.508 -3.153 1.00 0.00 N ATOM 0 H ARG A 16 4.739 11.519 2.654 1.00 0.00 H new ATOM 0 HA ARG A 16 5.641 9.496 0.748 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.419 11.037 0.762 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.484 12.133 -0.095 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.082 10.162 -1.642 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.782 9.269 -0.877 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.822 11.915 -1.644 1.00 0.00 H new ATOM 0 HD3 ARG A 16 3.573 11.141 -3.026 1.00 0.00 H new ATOM 0 HE ARG A 16 1.862 9.243 -1.651 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.754 12.083 -3.773 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.198 11.641 -4.484 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -0.150 8.672 -2.569 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.883 9.706 -3.800 1.00 0.00 H new ATOM 211 N SER A 17 7.553 10.691 -0.316 1.00 0.00 N ATOM 212 CA SER A 17 8.785 11.296 -0.793 1.00 0.00 C ATOM 213 C SER A 17 9.073 10.840 -2.225 1.00 0.00 C ATOM 214 O SER A 17 8.449 9.901 -2.717 1.00 0.00 O ATOM 215 CB SER A 17 9.960 10.947 0.122 1.00 0.00 C ATOM 216 OG SER A 17 11.127 11.702 -0.196 1.00 0.00 O ATOM 0 H SER A 17 7.354 9.768 -0.702 1.00 0.00 H new ATOM 0 HA SER A 17 8.660 12.379 -0.782 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.680 11.132 1.159 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.182 9.883 0.037 1.00 0.00 H new ATOM 0 HG SER A 17 11.900 11.102 -0.251 1.00 0.00 H new ATOM 222 N LYS A 18 10.017 11.525 -2.852 1.00 0.00 N ATOM 223 CA LYS A 18 10.395 11.201 -4.217 1.00 0.00 C ATOM 224 C LYS A 18 11.818 10.639 -4.228 1.00 0.00 C ATOM 225 O LYS A 18 12.545 10.799 -5.207 1.00 0.00 O ATOM 226 CB LYS A 18 10.207 12.416 -5.127 1.00 0.00 C ATOM 227 CG LYS A 18 8.731 12.617 -5.475 1.00 0.00 C ATOM 228 CD LYS A 18 8.529 12.687 -6.990 1.00 0.00 C ATOM 229 CE LYS A 18 7.756 13.947 -7.383 1.00 0.00 C ATOM 230 NZ LYS A 18 7.287 13.852 -8.784 1.00 0.00 N ATOM 0 H LYS A 18 10.532 12.303 -2.440 1.00 0.00 H new ATOM 0 HA LYS A 18 9.743 10.426 -4.619 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.593 13.308 -4.633 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.785 12.283 -6.041 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.142 11.797 -5.064 1.00 0.00 H new ATOM 0 HG3 LYS A 18 8.367 13.535 -5.013 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.497 12.680 -7.490 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.988 11.804 -7.329 1.00 0.00 H new ATOM 0 HE2 LYS A 18 6.904 14.081 -6.716 1.00 0.00 H new ATOM 0 HE3 LYS A 18 8.393 14.823 -7.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 6.764 14.715 -9.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.105 13.747 -9.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 6.662 13.027 -8.886 1.00 0.00 H new ATOM 244 N GLY A 19 12.173 9.991 -3.128 1.00 0.00 N ATOM 245 CA GLY A 19 13.496 9.404 -2.999 1.00 0.00 C ATOM 246 C GLY A 19 13.962 9.418 -1.541 1.00 0.00 C ATOM 247 O GLY A 19 13.267 9.938 -0.669 1.00 0.00 O ATOM 0 H GLY A 19 11.567 9.860 -2.318 1.00 0.00 H new ATOM 0 HA2 GLY A 19 13.481 8.379 -3.370 1.00 0.00 H new ATOM 0 HA3 GLY A 19 14.205 9.956 -3.616 1.00 0.00 H new ATOM 251 N SER A 20 15.134 8.841 -1.323 1.00 0.00 N ATOM 252 CA SER A 20 15.701 8.781 0.013 1.00 0.00 C ATOM 253 C SER A 20 16.235 10.156 0.418 1.00 0.00 C ATOM 254 O SER A 20 15.958 10.635 1.517 1.00 0.00 O ATOM 255 CB SER A 20 16.815 7.735 0.092 1.00 0.00 C ATOM 256 OG SER A 20 16.311 6.441 0.409 1.00 0.00 O ATOM 0 H SER A 20 15.707 8.411 -2.049 1.00 0.00 H new ATOM 0 HA SER A 20 14.913 8.486 0.706 1.00 0.00 H new ATOM 0 HB2 SER A 20 17.343 7.695 -0.861 1.00 0.00 H new ATOM 0 HB3 SER A 20 17.542 8.036 0.847 1.00 0.00 H new ATOM 0 HG SER A 20 17.053 5.802 0.448 1.00 0.00 H new ATOM 262 N LYS A 21 16.990 10.754 -0.491 1.00 0.00 N ATOM 263 CA LYS A 21 17.565 12.065 -0.243 1.00 0.00 C ATOM 264 C LYS A 21 16.526 13.142 -0.561 1.00 0.00 C ATOM 265 O LYS A 21 16.838 14.138 -1.210 1.00 0.00 O ATOM 266 CB LYS A 21 18.877 12.230 -1.013 1.00 0.00 C ATOM 267 CG LYS A 21 20.026 11.518 -0.297 1.00 0.00 C ATOM 268 CD LYS A 21 21.371 12.159 -0.646 1.00 0.00 C ATOM 269 CE LYS A 21 22.437 11.796 0.389 1.00 0.00 C ATOM 270 NZ LYS A 21 23.733 11.529 -0.274 1.00 0.00 N ATOM 0 H LYS A 21 17.217 10.354 -1.402 1.00 0.00 H new ATOM 0 HA LYS A 21 17.825 12.173 0.810 1.00 0.00 H new ATOM 0 HB2 LYS A 21 18.765 11.827 -2.019 1.00 0.00 H new ATOM 0 HB3 LYS A 21 19.110 13.290 -1.118 1.00 0.00 H new ATOM 0 HG2 LYS A 21 19.868 11.559 0.781 1.00 0.00 H new ATOM 0 HG3 LYS A 21 20.037 10.465 -0.578 1.00 0.00 H new ATOM 0 HD2 LYS A 21 21.690 11.827 -1.634 1.00 0.00 H new ATOM 0 HD3 LYS A 21 21.260 13.242 -0.694 1.00 0.00 H new ATOM 0 HE2 LYS A 21 22.549 12.610 1.105 1.00 0.00 H new ATOM 0 HE3 LYS A 21 22.122 10.917 0.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 24.446 11.284 0.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 23.626 10.738 -0.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 24.040 12.378 -0.791 1.00 0.00 H new ATOM 284 N LYS A 22 15.311 12.904 -0.089 1.00 0.00 N ATOM 285 CA LYS A 22 14.223 13.841 -0.315 1.00 0.00 C ATOM 286 C LYS A 22 13.517 14.125 1.012 1.00 0.00 C ATOM 287 O LYS A 22 13.568 13.312 1.934 1.00 0.00 O ATOM 288 CB LYS A 22 13.289 13.323 -1.410 1.00 0.00 C ATOM 289 CG LYS A 22 13.893 13.549 -2.798 1.00 0.00 C ATOM 290 CD LYS A 22 13.243 14.750 -3.489 1.00 0.00 C ATOM 291 CE LYS A 22 13.435 14.679 -5.006 1.00 0.00 C ATOM 292 NZ LYS A 22 13.147 15.991 -5.626 1.00 0.00 N ATOM 0 H LYS A 22 15.056 12.076 0.449 1.00 0.00 H new ATOM 0 HA LYS A 22 14.609 14.792 -0.681 1.00 0.00 H new ATOM 0 HB2 LYS A 22 13.101 12.260 -1.260 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.326 13.830 -1.341 1.00 0.00 H new ATOM 0 HG2 LYS A 22 14.967 13.713 -2.709 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.757 12.656 -3.408 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.179 14.777 -3.254 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.678 15.674 -3.106 1.00 0.00 H new ATOM 0 HE2 LYS A 22 14.457 14.378 -5.236 1.00 0.00 H new ATOM 0 HE3 LYS A 22 12.777 13.919 -5.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 13.282 15.926 -6.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 12.164 16.263 -5.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 13.792 16.708 -5.237 1.00 0.00 H new ATOM 306 N PRO A 23 12.857 15.313 1.069 1.00 0.00 N ATOM 307 CA PRO A 23 12.141 15.714 2.268 1.00 0.00 C ATOM 308 C PRO A 23 10.829 14.939 2.409 1.00 0.00 C ATOM 309 O PRO A 23 10.065 14.826 1.452 1.00 0.00 O ATOM 310 CB PRO A 23 11.932 17.213 2.118 1.00 0.00 C ATOM 311 CG PRO A 23 12.123 17.514 0.641 1.00 0.00 C ATOM 312 CD PRO A 23 12.775 16.301 -0.003 1.00 0.00 C ATOM 0 HA PRO A 23 12.692 15.491 3.181 1.00 0.00 H new ATOM 0 HB2 PRO A 23 10.935 17.504 2.450 1.00 0.00 H new ATOM 0 HB3 PRO A 23 12.645 17.770 2.726 1.00 0.00 H new ATOM 0 HG2 PRO A 23 11.164 17.728 0.168 1.00 0.00 H new ATOM 0 HG3 PRO A 23 12.747 18.398 0.509 1.00 0.00 H new ATOM 0 HD2 PRO A 23 12.183 15.930 -0.839 1.00 0.00 H new ATOM 0 HD3 PRO A 23 13.763 16.543 -0.395 1.00 0.00 H new ATOM 320 N TRP A 24 10.608 14.426 3.610 1.00 0.00 N ATOM 321 CA TRP A 24 9.402 13.664 3.888 1.00 0.00 C ATOM 322 C TRP A 24 8.249 14.654 4.064 1.00 0.00 C ATOM 323 O TRP A 24 8.471 15.821 4.383 1.00 0.00 O ATOM 324 CB TRP A 24 9.598 12.752 5.101 1.00 0.00 C ATOM 325 CG TRP A 24 10.678 11.686 4.911 1.00 0.00 C ATOM 326 CD1 TRP A 24 11.910 11.657 5.437 1.00 0.00 C ATOM 327 CD2 TRP A 24 10.573 10.488 4.113 1.00 0.00 C ATOM 328 NE1 TRP A 24 12.604 10.533 5.039 1.00 0.00 N ATOM 329 CE2 TRP A 24 11.765 9.799 4.208 1.00 0.00 C ATOM 330 CE3 TRP A 24 9.506 10.003 3.337 1.00 0.00 C ATOM 331 CZ2 TRP A 24 12.003 8.585 3.552 1.00 0.00 C ATOM 332 CZ3 TRP A 24 9.760 8.789 2.688 1.00 0.00 C ATOM 333 CH2 TRP A 24 10.955 8.083 2.773 1.00 0.00 C ATOM 0 H TRP A 24 11.243 14.523 4.402 1.00 0.00 H new ATOM 0 HA TRP A 24 9.166 12.998 3.058 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.855 13.365 5.965 1.00 0.00 H new ATOM 0 HB3 TRP A 24 8.653 12.260 5.329 1.00 0.00 H new ATOM 0 HD1 TRP A 24 12.310 12.418 6.091 1.00 0.00 H new ATOM 0 HE1 TRP A 24 13.557 10.286 5.305 1.00 0.00 H new ATOM 0 HE3 TRP A 24 8.565 10.526 3.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 12.945 8.064 3.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 8.972 8.371 2.078 1.00 0.00 H new ATOM 0 HH2 TRP A 24 11.074 7.151 2.240 1.00 0.00 H new ATOM 344 N LYS A 25 7.042 14.151 3.848 1.00 0.00 N ATOM 345 CA LYS A 25 5.853 14.976 3.979 1.00 0.00 C ATOM 346 C LYS A 25 4.761 14.180 4.696 1.00 0.00 C ATOM 347 O LYS A 25 4.256 13.193 4.163 1.00 0.00 O ATOM 348 CB LYS A 25 5.424 15.518 2.614 1.00 0.00 C ATOM 349 CG LYS A 25 6.147 16.827 2.292 1.00 0.00 C ATOM 350 CD LYS A 25 6.226 17.052 0.780 1.00 0.00 C ATOM 351 CE LYS A 25 6.830 18.421 0.461 1.00 0.00 C ATOM 352 NZ LYS A 25 6.480 18.833 -0.917 1.00 0.00 N ATOM 0 H LYS A 25 6.862 13.183 3.583 1.00 0.00 H new ATOM 0 HA LYS A 25 6.063 15.852 4.592 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.640 14.780 1.842 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.346 15.682 2.606 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.624 17.660 2.761 1.00 0.00 H new ATOM 0 HG3 LYS A 25 7.152 16.805 2.713 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.830 16.268 0.323 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.229 16.980 0.345 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.464 19.161 1.172 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.914 18.382 0.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.898 19.764 -1.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.850 18.135 -1.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.446 18.890 -1.010 1.00 0.00 H new ATOM 366 N HIS A 26 4.428 14.639 5.893 1.00 0.00 N ATOM 367 CA HIS A 26 3.405 13.981 6.689 1.00 0.00 C ATOM 368 C HIS A 26 2.038 14.175 6.028 1.00 0.00 C ATOM 369 O HIS A 26 1.435 15.241 6.142 1.00 0.00 O ATOM 370 CB HIS A 26 3.440 14.477 8.136 1.00 0.00 C ATOM 371 CG HIS A 26 2.496 13.744 9.059 1.00 0.00 C ATOM 372 ND1 HIS A 26 1.405 14.353 9.654 1.00 0.00 N ATOM 373 CD2 HIS A 26 2.491 12.447 9.481 1.00 0.00 C ATOM 374 CE1 HIS A 26 0.780 13.454 10.400 1.00 0.00 C ATOM 375 NE2 HIS A 26 1.454 12.274 10.292 1.00 0.00 N ATOM 0 H HIS A 26 4.848 15.459 6.331 1.00 0.00 H new ATOM 0 HA HIS A 26 3.602 12.910 6.729 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.456 14.378 8.519 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.195 15.539 8.151 1.00 0.00 H new ATOM 0 HD1 HIS A 26 1.129 15.328 9.538 1.00 0.00 H new ATOM 0 HD2 HIS A 26 3.209 11.689 9.203 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.108 13.626 10.990 1.00 0.00 H new ATOM 383 N LEU A 27 1.590 13.127 5.352 1.00 0.00 N ATOM 384 CA LEU A 27 0.306 13.169 4.673 1.00 0.00 C ATOM 385 C LEU A 27 -0.567 12.016 5.173 1.00 0.00 C ATOM 386 O LEU A 27 -0.080 11.111 5.849 1.00 0.00 O ATOM 387 CB LEU A 27 0.502 13.179 3.156 1.00 0.00 C ATOM 388 CG LEU A 27 0.843 14.534 2.533 1.00 0.00 C ATOM 389 CD1 LEU A 27 1.902 14.383 1.439 1.00 0.00 C ATOM 390 CD2 LEU A 27 -0.417 15.233 2.018 1.00 0.00 C ATOM 0 H LEU A 27 2.093 12.244 5.260 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.220 14.094 4.909 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.298 12.477 2.908 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.410 12.806 2.689 1.00 0.00 H new ATOM 0 HG LEU A 27 1.270 15.169 3.309 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.126 15.361 1.012 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.809 13.957 1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.526 13.724 0.657 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.147 16.194 1.580 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.895 14.611 1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.108 15.393 2.845 1.00 0.00 H new ATOM 402 N TRP A 28 -1.843 12.087 4.822 1.00 0.00 N ATOM 403 CA TRP A 28 -2.789 11.061 5.226 1.00 0.00 C ATOM 404 C TRP A 28 -3.182 10.263 3.981 1.00 0.00 C ATOM 405 O TRP A 28 -3.337 10.829 2.900 1.00 0.00 O ATOM 406 CB TRP A 28 -3.991 11.675 5.946 1.00 0.00 C ATOM 407 CG TRP A 28 -5.031 10.652 6.406 1.00 0.00 C ATOM 408 CD1 TRP A 28 -6.176 10.311 5.801 1.00 0.00 C ATOM 409 CD2 TRP A 28 -4.972 9.846 7.602 1.00 0.00 C ATOM 410 NE1 TRP A 28 -6.859 9.348 6.516 1.00 0.00 N ATOM 411 CE2 TRP A 28 -6.103 9.056 7.646 1.00 0.00 C ATOM 412 CE3 TRP A 28 -3.997 9.786 8.612 1.00 0.00 C ATOM 413 CZ2 TRP A 28 -6.365 8.149 8.680 1.00 0.00 C ATOM 414 CZ3 TRP A 28 -4.273 8.875 9.639 1.00 0.00 C ATOM 415 CH2 TRP A 28 -5.407 8.072 9.698 1.00 0.00 C ATOM 0 H TRP A 28 -2.244 12.840 4.262 1.00 0.00 H new ATOM 0 HA TRP A 28 -2.335 10.381 5.947 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.636 12.232 6.813 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -4.472 12.393 5.281 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.522 10.736 4.870 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.753 8.928 6.262 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.105 10.395 8.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -7.258 7.542 8.692 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.555 8.790 10.441 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.548 7.392 10.525 1.00 0.00 H new ATOM 426 N PHE A 29 -3.330 8.960 4.174 1.00 0.00 N ATOM 427 CA PHE A 29 -3.702 8.079 3.080 1.00 0.00 C ATOM 428 C PHE A 29 -4.694 7.013 3.549 1.00 0.00 C ATOM 429 O PHE A 29 -4.740 6.679 4.732 1.00 0.00 O ATOM 430 CB PHE A 29 -2.420 7.393 2.604 1.00 0.00 C ATOM 431 CG PHE A 29 -1.371 8.354 2.041 1.00 0.00 C ATOM 432 CD1 PHE A 29 -0.445 8.909 2.868 1.00 0.00 C ATOM 433 CD2 PHE A 29 -1.366 8.654 0.715 1.00 0.00 C ATOM 434 CE1 PHE A 29 0.529 9.801 2.346 1.00 0.00 C ATOM 435 CE2 PHE A 29 -0.392 9.546 0.193 1.00 0.00 C ATOM 436 CZ PHE A 29 0.534 10.101 1.019 1.00 0.00 C ATOM 0 H PHE A 29 -3.199 8.494 5.072 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.176 8.653 2.284 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.983 6.843 3.438 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.675 6.661 1.838 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -0.450 8.671 3.922 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -2.102 8.214 0.059 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.265 10.241 3.002 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.387 9.783 -0.861 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.274 10.780 0.622 1.00 0.00 H new ATOM 446 N VAL A 30 -5.463 6.507 2.596 1.00 0.00 N ATOM 447 CA VAL A 30 -6.452 5.485 2.896 1.00 0.00 C ATOM 448 C VAL A 30 -6.611 4.564 1.684 1.00 0.00 C ATOM 449 O VAL A 30 -6.364 4.975 0.551 1.00 0.00 O ATOM 450 CB VAL A 30 -7.766 6.139 3.326 1.00 0.00 C ATOM 451 CG1 VAL A 30 -8.865 5.090 3.513 1.00 0.00 C ATOM 452 CG2 VAL A 30 -7.576 6.966 4.599 1.00 0.00 C ATOM 0 H VAL A 30 -5.421 6.786 1.616 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.123 4.868 3.732 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.080 6.815 2.531 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -9.789 5.581 3.819 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.028 4.563 2.573 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -8.562 4.378 4.281 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.525 7.420 4.883 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -7.228 6.319 5.404 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -6.839 7.749 4.418 1.00 0.00 H new ATOM 462 N ILE A 31 -7.022 3.336 1.964 1.00 0.00 N ATOM 463 CA ILE A 31 -7.216 2.354 0.911 1.00 0.00 C ATOM 464 C ILE A 31 -8.697 1.976 0.840 1.00 0.00 C ATOM 465 O ILE A 31 -9.244 1.412 1.786 1.00 0.00 O ATOM 466 CB ILE A 31 -6.286 1.157 1.116 1.00 0.00 C ATOM 467 CG1 ILE A 31 -4.819 1.577 1.002 1.00 0.00 C ATOM 468 CG2 ILE A 31 -6.633 0.020 0.153 1.00 0.00 C ATOM 469 CD1 ILE A 31 -3.892 0.364 1.109 1.00 0.00 C ATOM 0 H ILE A 31 -7.226 2.999 2.905 1.00 0.00 H new ATOM 0 HA ILE A 31 -6.946 2.776 -0.057 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.435 0.778 2.127 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.654 2.082 0.050 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.580 2.293 1.788 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.956 -0.818 0.321 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.660 -0.303 0.326 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.530 0.369 -0.874 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.855 0.690 1.025 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.042 -0.125 2.072 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.118 -0.338 0.307 1.00 0.00 H new ATOM 481 N LYS A 32 -9.304 2.302 -0.292 1.00 0.00 N ATOM 482 CA LYS A 32 -10.711 2.004 -0.500 1.00 0.00 C ATOM 483 C LYS A 32 -10.934 1.605 -1.960 1.00 0.00 C ATOM 484 O LYS A 32 -10.369 2.214 -2.867 1.00 0.00 O ATOM 485 CB LYS A 32 -11.580 3.178 -0.044 1.00 0.00 C ATOM 486 CG LYS A 32 -13.032 2.989 -0.487 1.00 0.00 C ATOM 487 CD LYS A 32 -13.979 3.846 0.356 1.00 0.00 C ATOM 488 CE LYS A 32 -14.299 3.161 1.686 1.00 0.00 C ATOM 489 NZ LYS A 32 -15.411 2.198 1.519 1.00 0.00 N ATOM 0 H LYS A 32 -8.847 2.770 -1.075 1.00 0.00 H new ATOM 0 HA LYS A 32 -11.015 1.155 0.112 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.536 3.268 1.041 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.188 4.107 -0.457 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -13.133 3.257 -1.539 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -13.309 1.939 -0.397 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.525 4.819 0.544 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.902 4.026 -0.196 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.415 2.643 2.057 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.567 3.909 2.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -15.615 1.742 2.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -16.258 2.701 1.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.142 1.474 0.823 1.00 0.00 H new ATOM 503 N ASN A 33 -11.758 0.584 -2.142 1.00 0.00 N ATOM 504 CA ASN A 33 -12.062 0.096 -3.476 1.00 0.00 C ATOM 505 C ASN A 33 -10.757 -0.243 -4.200 1.00 0.00 C ATOM 506 O ASN A 33 -10.674 -0.128 -5.422 1.00 0.00 O ATOM 507 CB ASN A 33 -12.796 1.158 -4.297 1.00 0.00 C ATOM 508 CG ASN A 33 -13.270 0.587 -5.635 1.00 0.00 C ATOM 509 OD1 ASN A 33 -13.700 -0.551 -5.736 1.00 0.00 O ATOM 510 ND2 ASN A 33 -13.167 1.436 -6.652 1.00 0.00 N ATOM 0 H ASN A 33 -12.225 0.081 -1.387 1.00 0.00 H new ATOM 0 HA ASN A 33 -12.696 -0.785 -3.376 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -13.651 1.531 -3.734 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.135 2.007 -4.474 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -13.457 1.149 -7.587 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -12.798 2.374 -6.498 1.00 0.00 H new ATOM 517 N LYS A 34 -9.771 -0.652 -3.416 1.00 0.00 N ATOM 518 CA LYS A 34 -8.475 -1.008 -3.967 1.00 0.00 C ATOM 519 C LYS A 34 -7.823 0.237 -4.572 1.00 0.00 C ATOM 520 O LYS A 34 -6.966 0.131 -5.447 1.00 0.00 O ATOM 521 CB LYS A 34 -8.612 -2.170 -4.953 1.00 0.00 C ATOM 522 CG LYS A 34 -7.981 -3.445 -4.389 1.00 0.00 C ATOM 523 CD LYS A 34 -8.849 -4.667 -4.693 1.00 0.00 C ATOM 524 CE LYS A 34 -8.005 -5.942 -4.737 1.00 0.00 C ATOM 525 NZ LYS A 34 -8.853 -7.134 -4.516 1.00 0.00 N ATOM 0 H LYS A 34 -9.844 -0.745 -2.403 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.812 -1.365 -3.179 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.666 -2.346 -5.169 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -8.133 -1.909 -5.897 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.988 -3.584 -4.817 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.852 -3.345 -3.311 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -9.624 -4.766 -3.932 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.356 -4.529 -5.648 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -7.503 -6.020 -5.701 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.227 -5.896 -3.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.264 -7.990 -4.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.312 -7.066 -3.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.580 -7.185 -5.258 1.00 0.00 H new ATOM 539 N VAL A 35 -8.256 1.390 -4.081 1.00 0.00 N ATOM 540 CA VAL A 35 -7.725 2.654 -4.562 1.00 0.00 C ATOM 541 C VAL A 35 -7.012 3.372 -3.415 1.00 0.00 C ATOM 542 O VAL A 35 -7.459 3.318 -2.270 1.00 0.00 O ATOM 543 CB VAL A 35 -8.846 3.489 -5.185 1.00 0.00 C ATOM 544 CG1 VAL A 35 -8.298 4.789 -5.775 1.00 0.00 C ATOM 545 CG2 VAL A 35 -9.606 2.684 -6.242 1.00 0.00 C ATOM 0 H VAL A 35 -8.968 1.475 -3.356 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.988 2.485 -5.348 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.549 3.751 -4.394 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.115 5.363 -6.211 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.823 5.374 -4.988 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.565 4.557 -6.547 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.397 3.300 -6.669 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.918 2.378 -7.031 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.044 1.799 -5.780 1.00 0.00 H new ATOM 555 N LEU A 36 -5.915 4.029 -3.761 1.00 0.00 N ATOM 556 CA LEU A 36 -5.135 4.757 -2.775 1.00 0.00 C ATOM 557 C LEU A 36 -5.517 6.238 -2.822 1.00 0.00 C ATOM 558 O LEU A 36 -5.083 6.966 -3.713 1.00 0.00 O ATOM 559 CB LEU A 36 -3.641 4.500 -2.977 1.00 0.00 C ATOM 560 CG LEU A 36 -2.701 5.195 -1.989 1.00 0.00 C ATOM 561 CD1 LEU A 36 -2.633 6.699 -2.261 1.00 0.00 C ATOM 562 CD2 LEU A 36 -3.103 4.891 -0.544 1.00 0.00 C ATOM 0 H LEU A 36 -5.548 4.072 -4.712 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.362 4.400 -1.770 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.466 3.426 -2.920 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.372 4.813 -3.986 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.697 4.797 -2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.958 7.168 -1.545 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.264 6.870 -3.272 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.628 7.132 -2.160 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.419 5.397 0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.119 5.244 -0.367 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.057 3.816 -0.372 1.00 0.00 H new ATOM 574 N TYR A 37 -6.324 6.640 -1.851 1.00 0.00 N ATOM 575 CA TYR A 37 -6.769 8.021 -1.771 1.00 0.00 C ATOM 576 C TYR A 37 -5.802 8.860 -0.933 1.00 0.00 C ATOM 577 O TYR A 37 -5.371 8.434 0.137 1.00 0.00 O ATOM 578 CB TYR A 37 -8.130 7.986 -1.074 1.00 0.00 C ATOM 579 CG TYR A 37 -9.278 7.526 -1.975 1.00 0.00 C ATOM 580 CD1 TYR A 37 -9.778 8.373 -2.943 1.00 0.00 C ATOM 581 CD2 TYR A 37 -9.814 6.263 -1.820 1.00 0.00 C ATOM 582 CE1 TYR A 37 -10.859 7.940 -3.791 1.00 0.00 C ATOM 583 CE2 TYR A 37 -10.895 5.831 -2.668 1.00 0.00 C ATOM 584 CZ TYR A 37 -11.364 6.691 -3.611 1.00 0.00 C ATOM 585 OH TYR A 37 -12.384 6.282 -4.412 1.00 0.00 O ATOM 0 H TYR A 37 -6.681 6.033 -1.113 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.820 8.466 -2.765 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -8.069 7.321 -0.213 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -8.357 8.981 -0.693 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -9.359 9.361 -3.065 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.423 5.599 -1.063 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -11.259 8.593 -4.553 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.324 4.846 -2.557 1.00 0.00 H new ATOM 0 HH TYR A 37 -12.643 5.368 -4.171 1.00 0.00 H new ATOM 595 N THR A 38 -5.490 10.039 -1.452 1.00 0.00 N ATOM 596 CA THR A 38 -4.582 10.942 -0.765 1.00 0.00 C ATOM 597 C THR A 38 -5.364 11.906 0.129 1.00 0.00 C ATOM 598 O THR A 38 -6.522 12.215 -0.149 1.00 0.00 O ATOM 599 CB THR A 38 -3.729 11.648 -1.820 1.00 0.00 C ATOM 600 OG1 THR A 38 -2.820 10.643 -2.262 1.00 0.00 O ATOM 601 CG2 THR A 38 -2.826 12.727 -1.218 1.00 0.00 C ATOM 0 H THR A 38 -5.850 10.389 -2.340 1.00 0.00 H new ATOM 0 HA THR A 38 -3.914 10.398 -0.097 1.00 0.00 H new ATOM 0 HB THR A 38 -4.380 12.096 -2.571 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.206 10.414 -1.534 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.242 13.196 -2.010 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.439 13.481 -0.724 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.152 12.274 -0.491 1.00 0.00 H new ATOM 609 N TYR A 39 -4.700 12.355 1.184 1.00 0.00 N ATOM 610 CA TYR A 39 -5.318 13.278 2.120 1.00 0.00 C ATOM 611 C TYR A 39 -4.266 14.152 2.806 1.00 0.00 C ATOM 612 O TYR A 39 -3.080 14.062 2.492 1.00 0.00 O ATOM 613 CB TYR A 39 -6.008 12.410 3.175 1.00 0.00 C ATOM 614 CG TYR A 39 -7.302 11.753 2.690 1.00 0.00 C ATOM 615 CD1 TYR A 39 -8.464 12.493 2.609 1.00 0.00 C ATOM 616 CD2 TYR A 39 -7.307 10.420 2.334 1.00 0.00 C ATOM 617 CE1 TYR A 39 -9.682 11.875 2.152 1.00 0.00 C ATOM 618 CE2 TYR A 39 -8.525 9.801 1.877 1.00 0.00 C ATOM 619 CZ TYR A 39 -9.652 10.559 1.809 1.00 0.00 C ATOM 620 OH TYR A 39 -10.802 9.975 1.378 1.00 0.00 O ATOM 0 H TYR A 39 -3.740 12.096 1.411 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.012 13.940 1.603 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.317 11.632 3.499 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.229 13.024 4.048 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -8.460 13.536 2.888 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -6.398 9.841 2.398 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -10.598 12.443 2.083 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.543 8.759 1.595 1.00 0.00 H new ATOM 0 HH TYR A 39 -10.632 9.033 1.167 1.00 0.00 H new ATOM 630 N ALA A 40 -4.737 14.977 3.729 1.00 0.00 N ATOM 631 CA ALA A 40 -3.851 15.865 4.461 1.00 0.00 C ATOM 632 C ALA A 40 -3.917 15.529 5.952 1.00 0.00 C ATOM 633 O ALA A 40 -2.896 15.533 6.639 1.00 0.00 O ATOM 634 CB ALA A 40 -4.234 17.319 4.174 1.00 0.00 C ATOM 0 H ALA A 40 -5.721 15.049 3.987 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.819 15.729 4.138 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.569 17.986 4.723 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.143 17.515 3.106 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.263 17.493 4.488 1.00 0.00 H new ATOM 640 N ALA A 41 -5.128 15.246 6.410 1.00 0.00 N ATOM 641 CA ALA A 41 -5.340 14.909 7.807 1.00 0.00 C ATOM 642 C ALA A 41 -6.513 13.932 7.919 1.00 0.00 C ATOM 643 O ALA A 41 -6.900 13.307 6.933 1.00 0.00 O ATOM 644 CB ALA A 41 -5.569 16.189 8.613 1.00 0.00 C ATOM 0 H ALA A 41 -5.972 15.243 5.838 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.460 14.417 8.220 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.728 15.935 9.661 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.696 16.836 8.525 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.446 16.709 8.228 1.00 0.00 H new ATOM 688 N VAL A 45 -12.304 17.034 4.570 1.00 0.00 N ATOM 689 CA VAL A 45 -13.681 16.823 4.156 1.00 0.00 C ATOM 690 C VAL A 45 -13.704 15.947 2.903 1.00 0.00 C ATOM 691 O VAL A 45 -14.748 15.412 2.534 1.00 0.00 O ATOM 692 CB VAL A 45 -14.379 18.170 3.958 1.00 0.00 C ATOM 693 CG1 VAL A 45 -15.277 18.503 5.150 1.00 0.00 C ATOM 694 CG2 VAL A 45 -13.360 19.285 3.710 1.00 0.00 C ATOM 0 HA VAL A 45 -14.237 16.295 4.931 1.00 0.00 H new ATOM 0 HB VAL A 45 -15.012 18.092 3.074 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -15.761 19.465 4.983 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -16.037 17.729 5.261 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -14.674 18.552 6.057 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -13.883 20.232 3.573 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -12.689 19.362 4.566 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -12.781 19.057 2.815 1.00 0.00 H new ATOM 704 N ALA A 46 -12.540 15.828 2.281 1.00 0.00 N ATOM 705 CA ALA A 46 -12.413 15.026 1.076 1.00 0.00 C ATOM 706 C ALA A 46 -10.943 14.661 0.863 1.00 0.00 C ATOM 707 O ALA A 46 -10.073 15.119 1.603 1.00 0.00 O ATOM 708 CB ALA A 46 -13.002 15.791 -0.111 1.00 0.00 C ATOM 0 H ALA A 46 -11.676 16.274 2.589 1.00 0.00 H new ATOM 0 HA ALA A 46 -12.972 14.096 1.174 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -12.907 15.189 -1.015 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -14.055 15.999 0.077 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -12.464 16.730 -0.242 1.00 0.00 H new ATOM 714 N ALA A 47 -10.710 13.842 -0.151 1.00 0.00 N ATOM 715 CA ALA A 47 -9.360 13.411 -0.471 1.00 0.00 C ATOM 716 C ALA A 47 -8.714 14.428 -1.413 1.00 0.00 C ATOM 717 O ALA A 47 -9.369 14.947 -2.316 1.00 0.00 O ATOM 718 CB ALA A 47 -9.402 12.004 -1.071 1.00 0.00 C ATOM 0 H ALA A 47 -11.434 13.465 -0.763 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.749 13.363 0.430 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.389 11.680 -1.311 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.842 11.314 -0.351 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -10.005 12.014 -1.979 1.00 0.00 H new ATOM 724 N LEU A 48 -7.437 14.683 -1.172 1.00 0.00 N ATOM 725 CA LEU A 48 -6.695 15.629 -1.988 1.00 0.00 C ATOM 726 C LEU A 48 -6.540 15.065 -3.402 1.00 0.00 C ATOM 727 O LEU A 48 -6.675 15.794 -4.383 1.00 0.00 O ATOM 728 CB LEU A 48 -5.366 15.986 -1.320 1.00 0.00 C ATOM 729 CG LEU A 48 -5.458 16.536 0.105 1.00 0.00 C ATOM 730 CD1 LEU A 48 -4.066 16.798 0.683 1.00 0.00 C ATOM 731 CD2 LEU A 48 -6.343 17.783 0.155 1.00 0.00 C ATOM 0 H LEU A 48 -6.897 14.251 -0.423 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.243 16.567 -2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.739 15.095 -1.304 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.857 16.723 -1.941 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.930 15.780 0.733 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.160 17.188 1.696 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.500 15.867 0.704 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.545 17.526 0.061 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -6.392 18.154 1.179 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.922 18.554 -0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.347 17.531 -0.188 1.00 0.00 H new ATOM 743 N GLU A 49 -6.259 13.771 -3.461 1.00 0.00 N ATOM 744 CA GLU A 49 -6.085 13.101 -4.738 1.00 0.00 C ATOM 745 C GLU A 49 -6.532 11.641 -4.637 1.00 0.00 C ATOM 746 O GLU A 49 -6.752 11.130 -3.540 1.00 0.00 O ATOM 747 CB GLU A 49 -4.635 13.199 -5.215 1.00 0.00 C ATOM 748 CG GLU A 49 -4.325 14.600 -5.746 1.00 0.00 C ATOM 749 CD GLU A 49 -5.102 14.882 -7.033 1.00 0.00 C ATOM 750 OE1 GLU A 49 -5.043 14.017 -7.933 1.00 0.00 O ATOM 751 OE2 GLU A 49 -5.737 15.957 -7.088 1.00 0.00 O ATOM 0 H GLU A 49 -6.148 13.169 -2.645 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.711 13.601 -5.477 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.961 12.961 -4.392 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.455 12.462 -5.998 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.581 15.344 -4.992 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.255 14.693 -5.935 1.00 0.00 H new ATOM 758 N SER A 50 -6.653 11.011 -5.796 1.00 0.00 N ATOM 759 CA SER A 50 -7.070 9.620 -5.852 1.00 0.00 C ATOM 760 C SER A 50 -6.248 8.869 -6.901 1.00 0.00 C ATOM 761 O SER A 50 -6.079 9.348 -8.022 1.00 0.00 O ATOM 762 CB SER A 50 -8.563 9.505 -6.166 1.00 0.00 C ATOM 763 OG SER A 50 -9.059 10.662 -6.834 1.00 0.00 O ATOM 0 H SER A 50 -6.470 11.438 -6.704 1.00 0.00 H new ATOM 0 HA SER A 50 -6.896 9.171 -4.874 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.736 8.626 -6.787 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.118 9.355 -5.240 1.00 0.00 H new ATOM 0 HG SER A 50 -10.015 10.549 -7.018 1.00 0.00 H new ATOM 769 N GLN A 51 -5.758 7.705 -6.500 1.00 0.00 N ATOM 770 CA GLN A 51 -4.957 6.883 -7.392 1.00 0.00 C ATOM 771 C GLN A 51 -5.202 5.400 -7.109 1.00 0.00 C ATOM 772 O GLN A 51 -4.946 4.924 -6.004 1.00 0.00 O ATOM 773 CB GLN A 51 -3.472 7.227 -7.269 1.00 0.00 C ATOM 774 CG GLN A 51 -2.706 6.811 -8.526 1.00 0.00 C ATOM 775 CD GLN A 51 -3.253 7.527 -9.763 1.00 0.00 C ATOM 776 OE1 GLN A 51 -3.344 6.753 -10.840 1.00 0.00 O flip ATOM 777 NE2 GLN A 51 -3.570 8.705 -9.740 1.00 0.00 N flip ATOM 0 H GLN A 51 -5.900 7.312 -5.570 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.260 7.092 -8.418 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.356 8.298 -7.106 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.050 6.725 -6.399 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.648 7.043 -8.405 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.782 5.732 -8.662 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -3.475 9.242 -8.878 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.930 9.153 -10.583 1.00 0.00 H new ATOM 786 N PRO A 52 -5.708 4.691 -8.154 1.00 0.00 N ATOM 787 CA PRO A 52 -5.990 3.271 -8.029 1.00 0.00 C ATOM 788 C PRO A 52 -4.698 2.452 -8.053 1.00 0.00 C ATOM 789 O PRO A 52 -3.718 2.849 -8.682 1.00 0.00 O ATOM 790 CB PRO A 52 -6.919 2.951 -9.188 1.00 0.00 C ATOM 791 CG PRO A 52 -6.752 4.089 -10.182 1.00 0.00 C ATOM 792 CD PRO A 52 -6.023 5.221 -9.477 1.00 0.00 C ATOM 0 HA PRO A 52 -6.460 3.017 -7.079 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.661 1.994 -9.643 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -7.953 2.875 -8.851 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.188 3.755 -11.053 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -7.724 4.427 -10.542 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -5.119 5.506 -10.015 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.647 6.112 -9.408 1.00 0.00 H new ATOM 800 N LEU A 53 -4.738 1.323 -7.361 1.00 0.00 N ATOM 801 CA LEU A 53 -3.583 0.443 -7.295 1.00 0.00 C ATOM 802 C LEU A 53 -3.743 -0.679 -8.323 1.00 0.00 C ATOM 803 O LEU A 53 -3.378 -1.824 -8.059 1.00 0.00 O ATOM 804 CB LEU A 53 -3.372 -0.058 -5.865 1.00 0.00 C ATOM 805 CG LEU A 53 -3.350 1.016 -4.775 1.00 0.00 C ATOM 806 CD1 LEU A 53 -3.842 0.451 -3.441 1.00 0.00 C ATOM 807 CD2 LEU A 53 -1.962 1.647 -4.654 1.00 0.00 C ATOM 0 H LEU A 53 -5.552 0.997 -6.841 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.674 0.986 -7.555 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.163 -0.770 -5.630 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.430 -0.605 -5.828 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.039 1.810 -5.063 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.817 1.234 -2.683 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.864 0.088 -3.554 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.197 -0.372 -3.134 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.975 2.407 -3.872 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.233 0.877 -4.400 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.688 2.107 -5.603 1.00 0.00 H new ATOM 819 N LEU A 54 -4.290 -0.312 -9.473 1.00 0.00 N ATOM 820 CA LEU A 54 -4.503 -1.274 -10.541 1.00 0.00 C ATOM 821 C LEU A 54 -3.264 -1.315 -11.438 1.00 0.00 C ATOM 822 O LEU A 54 -3.023 -0.390 -12.212 1.00 0.00 O ATOM 823 CB LEU A 54 -5.798 -0.961 -11.293 1.00 0.00 C ATOM 824 CG LEU A 54 -6.397 -2.111 -12.105 1.00 0.00 C ATOM 825 CD1 LEU A 54 -5.422 -2.587 -13.184 1.00 0.00 C ATOM 826 CD2 LEU A 54 -6.841 -3.254 -11.190 1.00 0.00 C ATOM 0 H LEU A 54 -4.592 0.638 -9.688 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.634 -2.276 -10.132 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.542 -0.626 -10.571 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.610 -0.126 -11.967 1.00 0.00 H new ATOM 0 HG LEU A 54 -7.287 -1.742 -12.615 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.873 -3.405 -13.746 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.197 -1.762 -13.860 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.501 -2.933 -12.715 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -7.263 -4.059 -11.792 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.982 -3.629 -10.634 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.595 -2.889 -10.492 1.00 0.00 H new ATOM 838 N GLY A 55 -2.512 -2.397 -11.304 1.00 0.00 N ATOM 839 CA GLY A 55 -1.304 -2.571 -12.094 1.00 0.00 C ATOM 840 C GLY A 55 -0.067 -2.132 -11.307 1.00 0.00 C ATOM 841 O GLY A 55 1.052 -2.526 -11.633 1.00 0.00 O ATOM 0 H GLY A 55 -2.715 -3.162 -10.661 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.203 -3.617 -12.385 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -1.380 -1.991 -13.013 1.00 0.00 H new ATOM 845 N PHE A 56 -0.311 -1.323 -10.287 1.00 0.00 N ATOM 846 CA PHE A 56 0.770 -0.826 -9.451 1.00 0.00 C ATOM 847 C PHE A 56 1.452 -1.971 -8.699 1.00 0.00 C ATOM 848 O PHE A 56 1.099 -3.135 -8.881 1.00 0.00 O ATOM 849 CB PHE A 56 0.145 0.134 -8.437 1.00 0.00 C ATOM 850 CG PHE A 56 -0.079 1.549 -8.976 1.00 0.00 C ATOM 851 CD1 PHE A 56 -1.199 1.834 -9.692 1.00 0.00 C ATOM 852 CD2 PHE A 56 0.842 2.521 -8.739 1.00 0.00 C ATOM 853 CE1 PHE A 56 -1.408 3.146 -10.192 1.00 0.00 C ATOM 854 CE2 PHE A 56 0.633 3.833 -9.238 1.00 0.00 C ATOM 855 CZ PHE A 56 -0.487 4.119 -9.955 1.00 0.00 C ATOM 0 H PHE A 56 -1.241 -0.999 -10.020 1.00 0.00 H new ATOM 0 HA PHE A 56 1.522 -0.334 -10.068 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -0.811 -0.274 -8.107 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.789 0.188 -7.559 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.930 1.062 -9.880 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.732 2.295 -8.171 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.298 3.372 -10.761 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.364 4.605 -9.048 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.645 5.117 -10.336 1.00 0.00 H new ATOM 865 N THR A 57 2.416 -1.600 -7.870 1.00 0.00 N ATOM 866 CA THR A 57 3.150 -2.581 -7.089 1.00 0.00 C ATOM 867 C THR A 57 3.756 -1.928 -5.845 1.00 0.00 C ATOM 868 O THR A 57 3.703 -0.708 -5.692 1.00 0.00 O ATOM 869 CB THR A 57 4.192 -3.228 -8.004 1.00 0.00 C ATOM 870 OG1 THR A 57 3.476 -3.507 -9.204 1.00 0.00 O ATOM 871 CG2 THR A 57 4.634 -4.606 -7.505 1.00 0.00 C ATOM 0 H THR A 57 2.706 -0.633 -7.722 1.00 0.00 H new ATOM 0 HA THR A 57 2.490 -3.365 -6.717 1.00 0.00 H new ATOM 0 HB THR A 57 5.061 -2.574 -8.083 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.633 -3.955 -8.985 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.373 -5.021 -8.190 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.073 -4.510 -6.512 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.771 -5.270 -7.457 1.00 0.00 H new ATOM 879 N VAL A 58 4.317 -2.768 -4.989 1.00 0.00 N ATOM 880 CA VAL A 58 4.932 -2.288 -3.763 1.00 0.00 C ATOM 881 C VAL A 58 6.124 -3.180 -3.412 1.00 0.00 C ATOM 882 O VAL A 58 6.140 -4.363 -3.749 1.00 0.00 O ATOM 883 CB VAL A 58 3.888 -2.218 -2.646 1.00 0.00 C ATOM 884 CG1 VAL A 58 4.455 -2.756 -1.331 1.00 0.00 C ATOM 885 CG2 VAL A 58 3.363 -0.792 -2.474 1.00 0.00 C ATOM 0 H VAL A 58 4.359 -3.779 -5.120 1.00 0.00 H new ATOM 0 HA VAL A 58 5.312 -1.275 -3.898 1.00 0.00 H new ATOM 0 HB VAL A 58 3.048 -2.851 -2.933 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.693 -2.695 -0.554 1.00 0.00 H new ATOM 0 HG12 VAL A 58 4.756 -3.795 -1.463 1.00 0.00 H new ATOM 0 HG13 VAL A 58 5.320 -2.162 -1.038 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.623 -0.771 -1.674 1.00 0.00 H new ATOM 0 HG22 VAL A 58 4.190 -0.128 -2.221 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.902 -0.459 -3.404 1.00 0.00 H new ATOM 895 N THR A 59 7.094 -2.579 -2.739 1.00 0.00 N ATOM 896 CA THR A 59 8.288 -3.304 -2.339 1.00 0.00 C ATOM 897 C THR A 59 8.966 -2.605 -1.159 1.00 0.00 C ATOM 898 O THR A 59 8.993 -1.377 -1.092 1.00 0.00 O ATOM 899 CB THR A 59 9.192 -3.440 -3.566 1.00 0.00 C ATOM 900 OG1 THR A 59 9.980 -4.595 -3.290 1.00 0.00 O ATOM 901 CG2 THR A 59 10.215 -2.307 -3.668 1.00 0.00 C ATOM 0 H THR A 59 7.077 -1.598 -2.461 1.00 0.00 H new ATOM 0 HA THR A 59 8.043 -4.306 -1.986 1.00 0.00 H new ATOM 0 HB THR A 59 8.580 -3.458 -4.468 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.594 -4.758 -4.036 1.00 0.00 H new ATOM 0 HG21 THR A 59 10.831 -2.452 -4.556 1.00 0.00 H new ATOM 0 HG22 THR A 59 9.694 -1.352 -3.739 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.850 -2.309 -2.782 1.00 0.00 H new ATOM 909 N LEU A 60 9.498 -3.417 -0.257 1.00 0.00 N ATOM 910 CA LEU A 60 10.174 -2.892 0.917 1.00 0.00 C ATOM 911 C LEU A 60 11.531 -2.317 0.504 1.00 0.00 C ATOM 912 O LEU A 60 12.210 -2.876 -0.356 1.00 0.00 O ATOM 913 CB LEU A 60 10.266 -3.962 2.006 1.00 0.00 C ATOM 914 CG LEU A 60 10.647 -3.467 3.403 1.00 0.00 C ATOM 915 CD1 LEU A 60 12.037 -2.827 3.397 1.00 0.00 C ATOM 916 CD2 LEU A 60 9.582 -2.519 3.958 1.00 0.00 C ATOM 0 H LEU A 60 9.474 -4.435 -0.316 1.00 0.00 H new ATOM 0 HA LEU A 60 9.600 -2.075 1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 60 9.303 -4.469 2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 60 10.998 -4.707 1.694 1.00 0.00 H new ATOM 0 HG LEU A 60 10.691 -4.328 4.070 1.00 0.00 H new ATOM 0 HD11 LEU A 60 12.284 -2.484 4.402 1.00 0.00 H new ATOM 0 HD12 LEU A 60 12.774 -3.562 3.073 1.00 0.00 H new ATOM 0 HD13 LEU A 60 12.044 -1.979 2.712 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.877 -2.182 4.952 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.482 -1.658 3.298 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.627 -3.041 4.021 1.00 0.00 H new ATOM 928 N VAL A 61 11.885 -1.208 1.137 1.00 0.00 N ATOM 929 CA VAL A 61 13.148 -0.551 0.846 1.00 0.00 C ATOM 930 C VAL A 61 13.953 -0.407 2.139 1.00 0.00 C ATOM 931 O VAL A 61 13.400 -0.065 3.183 1.00 0.00 O ATOM 932 CB VAL A 61 12.894 0.786 0.148 1.00 0.00 C ATOM 933 CG1 VAL A 61 11.611 1.440 0.666 1.00 0.00 C ATOM 934 CG2 VAL A 61 14.092 1.725 0.308 1.00 0.00 C ATOM 0 H VAL A 61 11.319 -0.748 1.850 1.00 0.00 H new ATOM 0 HA VAL A 61 13.742 -1.153 0.159 1.00 0.00 H new ATOM 0 HB VAL A 61 12.763 0.589 -0.916 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.454 2.389 0.153 1.00 0.00 H new ATOM 0 HG12 VAL A 61 10.764 0.780 0.476 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.700 1.617 1.738 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.885 2.668 -0.198 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.269 1.912 1.367 1.00 0.00 H new ATOM 0 HG23 VAL A 61 14.977 1.264 -0.132 1.00 0.00 H new ATOM 1033 N SER A 68 12.578 -2.475 7.180 1.00 0.00 N ATOM 1034 CA SER A 68 11.239 -2.873 6.780 1.00 0.00 C ATOM 1035 C SER A 68 10.203 -1.952 7.428 1.00 0.00 C ATOM 1036 O SER A 68 9.112 -2.393 7.786 1.00 0.00 O ATOM 1037 CB SER A 68 10.962 -4.330 7.157 1.00 0.00 C ATOM 1038 OG SER A 68 11.847 -5.230 6.496 1.00 0.00 O ATOM 0 HA SER A 68 11.166 -2.785 5.696 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.062 -4.451 8.236 1.00 0.00 H new ATOM 0 HB3 SER A 68 9.932 -4.581 6.902 1.00 0.00 H new ATOM 0 HG SER A 68 12.682 -4.766 6.277 1.00 0.00 H new ATOM 1044 N LYS A 69 10.582 -0.689 7.558 1.00 0.00 N ATOM 1045 CA LYS A 69 9.700 0.299 8.156 1.00 0.00 C ATOM 1046 C LYS A 69 9.211 1.263 7.073 1.00 0.00 C ATOM 1047 O LYS A 69 8.205 1.947 7.253 1.00 0.00 O ATOM 1048 CB LYS A 69 10.391 0.994 9.331 1.00 0.00 C ATOM 1049 CG LYS A 69 10.075 0.286 10.650 1.00 0.00 C ATOM 1050 CD LYS A 69 10.870 0.899 11.805 1.00 0.00 C ATOM 1051 CE LYS A 69 11.180 -0.151 12.874 1.00 0.00 C ATOM 1052 NZ LYS A 69 11.028 0.428 14.228 1.00 0.00 N ATOM 0 H LYS A 69 11.488 -0.327 7.260 1.00 0.00 H new ATOM 0 HA LYS A 69 8.817 -0.184 8.576 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.469 1.005 9.169 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.067 2.033 9.385 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.008 0.359 10.859 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.311 -0.775 10.563 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.800 1.324 11.426 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.303 1.718 12.248 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.511 -1.004 12.759 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.196 -0.523 12.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 11.242 -0.297 14.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.684 1.227 14.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.051 0.761 14.355 1.00 0.00 H new ATOM 1066 N VAL A 70 9.947 1.286 5.971 1.00 0.00 N ATOM 1067 CA VAL A 70 9.601 2.154 4.858 1.00 0.00 C ATOM 1068 C VAL A 70 9.527 1.326 3.574 1.00 0.00 C ATOM 1069 O VAL A 70 10.295 0.382 3.395 1.00 0.00 O ATOM 1070 CB VAL A 70 10.599 3.310 4.767 1.00 0.00 C ATOM 1071 CG1 VAL A 70 12.040 2.796 4.816 1.00 0.00 C ATOM 1072 CG2 VAL A 70 10.358 4.145 3.508 1.00 0.00 C ATOM 0 H VAL A 70 10.781 0.718 5.825 1.00 0.00 H new ATOM 0 HA VAL A 70 8.619 2.601 5.013 1.00 0.00 H new ATOM 0 HB VAL A 70 10.443 3.955 5.632 1.00 0.00 H new ATOM 0 HG11 VAL A 70 12.729 3.638 4.750 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.205 2.265 5.753 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.213 2.118 3.980 1.00 0.00 H new ATOM 0 HG21 VAL A 70 11.081 4.960 3.468 1.00 0.00 H new ATOM 0 HG22 VAL A 70 10.472 3.515 2.626 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.349 4.556 3.532 1.00 0.00 H new ATOM 1082 N PHE A 71 8.595 1.709 2.714 1.00 0.00 N ATOM 1083 CA PHE A 71 8.410 1.013 1.452 1.00 0.00 C ATOM 1084 C PHE A 71 8.230 2.005 0.300 1.00 0.00 C ATOM 1085 O PHE A 71 8.211 3.215 0.516 1.00 0.00 O ATOM 1086 CB PHE A 71 7.140 0.171 1.587 1.00 0.00 C ATOM 1087 CG PHE A 71 5.982 0.897 2.274 1.00 0.00 C ATOM 1088 CD1 PHE A 71 6.044 1.169 3.605 1.00 0.00 C ATOM 1089 CD2 PHE A 71 4.891 1.271 1.554 1.00 0.00 C ATOM 1090 CE1 PHE A 71 4.969 1.843 4.243 1.00 0.00 C ATOM 1091 CE2 PHE A 71 3.816 1.945 2.191 1.00 0.00 C ATOM 1092 CZ PHE A 71 3.877 2.216 3.522 1.00 0.00 C ATOM 0 H PHE A 71 7.960 2.492 2.866 1.00 0.00 H new ATOM 0 HA PHE A 71 9.284 0.399 1.234 1.00 0.00 H new ATOM 0 HB2 PHE A 71 6.819 -0.146 0.595 1.00 0.00 H new ATOM 0 HB3 PHE A 71 7.374 -0.733 2.150 1.00 0.00 H new ATOM 0 HD1 PHE A 71 6.911 0.872 4.177 1.00 0.00 H new ATOM 0 HD2 PHE A 71 4.842 1.055 0.497 1.00 0.00 H new ATOM 0 HE1 PHE A 71 5.018 2.059 5.300 1.00 0.00 H new ATOM 0 HE2 PHE A 71 2.950 2.242 1.618 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.059 2.727 4.007 1.00 0.00 H new ATOM 1102 N GLN A 72 8.102 1.454 -0.898 1.00 0.00 N ATOM 1103 CA GLN A 72 7.925 2.275 -2.084 1.00 0.00 C ATOM 1104 C GLN A 72 6.728 1.779 -2.898 1.00 0.00 C ATOM 1105 O GLN A 72 6.355 0.610 -2.811 1.00 0.00 O ATOM 1106 CB GLN A 72 9.196 2.293 -2.934 1.00 0.00 C ATOM 1107 CG GLN A 72 10.295 3.118 -2.260 1.00 0.00 C ATOM 1108 CD GLN A 72 11.564 3.142 -3.113 1.00 0.00 C ATOM 1109 OE1 GLN A 72 12.081 4.187 -3.473 1.00 0.00 O ATOM 1110 NE2 GLN A 72 12.036 1.936 -3.416 1.00 0.00 N ATOM 0 H GLN A 72 8.117 0.449 -1.073 1.00 0.00 H new ATOM 0 HA GLN A 72 7.726 3.299 -1.767 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.547 1.273 -3.092 1.00 0.00 H new ATOM 0 HB3 GLN A 72 8.975 2.709 -3.917 1.00 0.00 H new ATOM 0 HG2 GLN A 72 9.942 4.137 -2.098 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.520 2.699 -1.279 1.00 0.00 H new ATOM 0 HE21 GLN A 72 11.554 1.101 -3.082 1.00 0.00 H new ATOM 0 HE22 GLN A 72 12.880 1.846 -3.982 1.00 0.00 H new ATOM 1119 N LEU A 73 6.159 2.692 -3.671 1.00 0.00 N ATOM 1120 CA LEU A 73 5.013 2.362 -4.500 1.00 0.00 C ATOM 1121 C LEU A 73 5.456 2.264 -5.961 1.00 0.00 C ATOM 1122 O LEU A 73 5.581 3.278 -6.646 1.00 0.00 O ATOM 1123 CB LEU A 73 3.878 3.362 -4.268 1.00 0.00 C ATOM 1124 CG LEU A 73 2.592 3.113 -5.059 1.00 0.00 C ATOM 1125 CD1 LEU A 73 1.996 1.746 -4.718 1.00 0.00 C ATOM 1126 CD2 LEU A 73 1.588 4.247 -4.843 1.00 0.00 C ATOM 0 H LEU A 73 6.471 3.661 -3.741 1.00 0.00 H new ATOM 0 HA LEU A 73 4.611 1.388 -4.222 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.633 3.363 -3.206 1.00 0.00 H new ATOM 0 HB3 LEU A 73 4.244 4.359 -4.512 1.00 0.00 H new ATOM 0 HG LEU A 73 2.840 3.101 -6.120 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.083 1.593 -5.293 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.715 0.964 -4.964 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.765 1.705 -3.654 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.683 4.046 -5.416 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.339 4.316 -3.784 1.00 0.00 H new ATOM 0 HD23 LEU A 73 2.026 5.189 -5.175 1.00 0.00 H new ATOM 1138 N LEU A 74 5.684 1.033 -6.395 1.00 0.00 N ATOM 1139 CA LEU A 74 6.111 0.789 -7.762 1.00 0.00 C ATOM 1140 C LEU A 74 4.893 0.826 -8.687 1.00 0.00 C ATOM 1141 O LEU A 74 3.795 0.438 -8.290 1.00 0.00 O ATOM 1142 CB LEU A 74 6.910 -0.513 -7.850 1.00 0.00 C ATOM 1143 CG LEU A 74 8.349 -0.453 -7.335 1.00 0.00 C ATOM 1144 CD1 LEU A 74 8.585 -1.495 -6.240 1.00 0.00 C ATOM 1145 CD2 LEU A 74 9.349 -0.594 -8.485 1.00 0.00 C ATOM 0 H LEU A 74 5.581 0.194 -5.824 1.00 0.00 H new ATOM 0 HA LEU A 74 6.789 1.575 -8.095 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.377 -1.282 -7.291 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.931 -0.833 -8.892 1.00 0.00 H new ATOM 0 HG LEU A 74 8.510 0.527 -6.886 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.616 -1.430 -5.892 1.00 0.00 H new ATOM 0 HD12 LEU A 74 7.908 -1.307 -5.407 1.00 0.00 H new ATOM 0 HD13 LEU A 74 8.399 -2.492 -6.640 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.365 -0.548 -8.092 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.196 -1.551 -8.985 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.199 0.216 -9.199 1.00 0.00 H new ATOM 1157 N HIS A 75 5.128 1.296 -9.904 1.00 0.00 N ATOM 1158 CA HIS A 75 4.063 1.389 -10.888 1.00 0.00 C ATOM 1159 C HIS A 75 4.578 0.910 -12.247 1.00 0.00 C ATOM 1160 O HIS A 75 5.183 1.680 -12.992 1.00 0.00 O ATOM 1161 CB HIS A 75 3.491 2.807 -10.937 1.00 0.00 C ATOM 1162 CG HIS A 75 2.323 2.966 -11.882 1.00 0.00 C ATOM 1163 ND1 HIS A 75 1.160 2.262 -11.987 1.00 0.00 N flip ATOM 1164 CD2 HIS A 75 2.280 3.942 -12.862 1.00 0.00 C flip ATOM 1165 CE1 HIS A 75 0.443 2.782 -12.977 1.00 0.00 C flip ATOM 1166 NE2 HIS A 75 1.136 3.823 -13.521 1.00 0.00 N flip ATOM 0 H HIS A 75 6.040 1.616 -10.230 1.00 0.00 H new ATOM 0 HA HIS A 75 3.238 0.737 -10.600 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.176 3.095 -9.934 1.00 0.00 H new ATOM 0 HB3 HIS A 75 4.281 3.497 -11.233 1.00 0.00 H new ATOM 0 HD1 HIS A 75 0.887 1.471 -11.404 1.00 0.00 H new ATOM 0 HD2 HIS A 75 3.048 4.676 -13.057 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -0.529 2.437 -13.298 1.00 0.00 H new ATOM 1174 N LYS A 76 4.318 -0.358 -12.529 1.00 0.00 N ATOM 1175 CA LYS A 76 4.747 -0.948 -13.786 1.00 0.00 C ATOM 1176 C LYS A 76 6.212 -1.374 -13.670 1.00 0.00 C ATOM 1177 O LYS A 76 6.806 -1.840 -14.641 1.00 0.00 O ATOM 1178 CB LYS A 76 4.475 0.008 -14.948 1.00 0.00 C ATOM 1179 CG LYS A 76 3.109 0.680 -14.797 1.00 0.00 C ATOM 1180 CD LYS A 76 2.584 1.166 -16.149 1.00 0.00 C ATOM 1181 CE LYS A 76 3.090 2.576 -16.460 1.00 0.00 C ATOM 1182 NZ LYS A 76 4.084 2.540 -17.555 1.00 0.00 N ATOM 0 H LYS A 76 3.816 -0.993 -11.909 1.00 0.00 H new ATOM 0 HA LYS A 76 4.169 -1.846 -14.002 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.255 0.768 -14.989 1.00 0.00 H new ATOM 0 HB3 LYS A 76 4.513 -0.539 -15.890 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.400 -0.023 -14.359 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.188 1.522 -14.110 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.902 0.480 -16.934 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.494 1.160 -16.143 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.253 3.215 -16.741 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.539 3.013 -15.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.417 3.505 -17.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 4.890 1.947 -17.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.645 2.143 -18.410 1.00 0.00 H new ATOM 1196 N GLY A 77 6.753 -1.199 -12.473 1.00 0.00 N ATOM 1197 CA GLY A 77 8.138 -1.559 -12.217 1.00 0.00 C ATOM 1198 C GLY A 77 8.934 -0.353 -11.713 1.00 0.00 C ATOM 1199 O GLY A 77 9.940 -0.514 -11.024 1.00 0.00 O ATOM 0 H GLY A 77 6.257 -0.813 -11.670 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.179 -2.360 -11.479 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.592 -1.943 -13.130 1.00 0.00 H new ATOM 1203 N MET A 78 8.453 0.827 -12.076 1.00 0.00 N ATOM 1204 CA MET A 78 9.107 2.059 -11.669 1.00 0.00 C ATOM 1205 C MET A 78 8.519 2.584 -10.357 1.00 0.00 C ATOM 1206 O MET A 78 7.319 2.462 -10.118 1.00 0.00 O ATOM 1207 CB MET A 78 8.935 3.114 -12.764 1.00 0.00 C ATOM 1208 CG MET A 78 10.289 3.519 -13.351 1.00 0.00 C ATOM 1209 SD MET A 78 10.643 5.222 -12.950 1.00 0.00 S ATOM 1210 CE MET A 78 12.427 5.183 -12.978 1.00 0.00 C ATOM 0 H MET A 78 7.618 0.956 -12.648 1.00 0.00 H new ATOM 0 HA MET A 78 10.166 1.853 -11.514 1.00 0.00 H new ATOM 0 HB2 MET A 78 8.294 2.722 -13.554 1.00 0.00 H new ATOM 0 HB3 MET A 78 8.435 3.991 -12.354 1.00 0.00 H new ATOM 0 HG2 MET A 78 11.074 2.873 -12.957 1.00 0.00 H new ATOM 0 HG3 MET A 78 10.280 3.386 -14.433 1.00 0.00 H new ATOM 0 HE1 MET A 78 12.816 6.174 -12.746 1.00 0.00 H new ATOM 0 HE2 MET A 78 12.787 4.470 -12.237 1.00 0.00 H new ATOM 0 HE3 MET A 78 12.769 4.881 -13.968 1.00 0.00 H new ATOM 1220 N VAL A 79 9.393 3.157 -9.542 1.00 0.00 N ATOM 1221 CA VAL A 79 8.976 3.701 -8.261 1.00 0.00 C ATOM 1222 C VAL A 79 8.138 4.959 -8.495 1.00 0.00 C ATOM 1223 O VAL A 79 8.515 5.823 -9.285 1.00 0.00 O ATOM 1224 CB VAL A 79 10.199 3.953 -7.377 1.00 0.00 C ATOM 1225 CG1 VAL A 79 9.813 4.731 -6.117 1.00 0.00 C ATOM 1226 CG2 VAL A 79 10.896 2.639 -7.017 1.00 0.00 C ATOM 0 H VAL A 79 10.388 3.256 -9.744 1.00 0.00 H new ATOM 0 HA VAL A 79 8.348 2.987 -7.728 1.00 0.00 H new ATOM 0 HB VAL A 79 10.903 4.561 -7.945 1.00 0.00 H new ATOM 0 HG11 VAL A 79 10.700 4.897 -5.506 1.00 0.00 H new ATOM 0 HG12 VAL A 79 9.382 5.692 -6.400 1.00 0.00 H new ATOM 0 HG13 VAL A 79 9.081 4.159 -5.546 1.00 0.00 H new ATOM 0 HG21 VAL A 79 11.762 2.847 -6.388 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.202 1.995 -6.477 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.222 2.138 -7.929 1.00 0.00 H new ATOM 1236 N PHE A 80 7.016 5.023 -7.793 1.00 0.00 N ATOM 1237 CA PHE A 80 6.121 6.161 -7.914 1.00 0.00 C ATOM 1238 C PHE A 80 6.290 7.120 -6.733 1.00 0.00 C ATOM 1239 O PHE A 80 6.229 8.337 -6.903 1.00 0.00 O ATOM 1240 CB PHE A 80 4.694 5.611 -7.908 1.00 0.00 C ATOM 1241 CG PHE A 80 3.620 6.662 -8.197 1.00 0.00 C ATOM 1242 CD1 PHE A 80 3.702 7.427 -9.318 1.00 0.00 C ATOM 1243 CD2 PHE A 80 2.584 6.831 -7.332 1.00 0.00 C ATOM 1244 CE1 PHE A 80 2.706 8.403 -9.586 1.00 0.00 C ATOM 1245 CE2 PHE A 80 1.587 7.807 -7.601 1.00 0.00 C ATOM 1246 CZ PHE A 80 1.670 8.572 -8.722 1.00 0.00 C ATOM 0 H PHE A 80 6.706 4.305 -7.138 1.00 0.00 H new ATOM 0 HA PHE A 80 6.341 6.711 -8.829 1.00 0.00 H new ATOM 0 HB2 PHE A 80 4.619 4.816 -8.650 1.00 0.00 H new ATOM 0 HB3 PHE A 80 4.494 5.160 -6.936 1.00 0.00 H new ATOM 0 HD1 PHE A 80 4.525 7.292 -10.005 1.00 0.00 H new ATOM 0 HD2 PHE A 80 2.519 6.224 -6.441 1.00 0.00 H new ATOM 0 HE1 PHE A 80 2.771 9.011 -10.476 1.00 0.00 H new ATOM 0 HE2 PHE A 80 0.764 7.941 -6.915 1.00 0.00 H new ATOM 0 HZ PHE A 80 0.913 9.314 -8.926 1.00 0.00 H new ATOM 1256 N TYR A 81 6.501 6.535 -5.563 1.00 0.00 N ATOM 1257 CA TYR A 81 6.679 7.322 -4.355 1.00 0.00 C ATOM 1258 C TYR A 81 7.291 6.477 -3.235 1.00 0.00 C ATOM 1259 O TYR A 81 7.313 5.250 -3.321 1.00 0.00 O ATOM 1260 CB TYR A 81 5.279 7.771 -3.933 1.00 0.00 C ATOM 1261 CG TYR A 81 4.824 9.081 -4.578 1.00 0.00 C ATOM 1262 CD1 TYR A 81 5.582 10.224 -4.428 1.00 0.00 C ATOM 1263 CD2 TYR A 81 3.655 9.120 -5.310 1.00 0.00 C ATOM 1264 CE1 TYR A 81 5.154 11.457 -5.035 1.00 0.00 C ATOM 1265 CE2 TYR A 81 3.226 10.353 -5.917 1.00 0.00 C ATOM 1266 CZ TYR A 81 3.997 11.461 -5.750 1.00 0.00 C ATOM 1267 OH TYR A 81 3.593 12.626 -6.324 1.00 0.00 O ATOM 0 H TYR A 81 6.553 5.526 -5.426 1.00 0.00 H new ATOM 0 HA TYR A 81 7.349 8.162 -4.540 1.00 0.00 H new ATOM 0 HB2 TYR A 81 4.566 6.987 -4.186 1.00 0.00 H new ATOM 0 HB3 TYR A 81 5.257 7.885 -2.849 1.00 0.00 H new ATOM 0 HD1 TYR A 81 6.497 10.194 -3.855 1.00 0.00 H new ATOM 0 HD2 TYR A 81 3.062 8.225 -5.428 1.00 0.00 H new ATOM 0 HE1 TYR A 81 5.738 12.359 -4.925 1.00 0.00 H new ATOM 0 HE2 TYR A 81 2.313 10.397 -6.492 1.00 0.00 H new ATOM 0 HH TYR A 81 2.751 12.480 -6.804 1.00 0.00 H new ATOM 1277 N VAL A 82 7.772 7.167 -2.212 1.00 0.00 N ATOM 1278 CA VAL A 82 8.382 6.496 -1.077 1.00 0.00 C ATOM 1279 C VAL A 82 7.532 6.740 0.172 1.00 0.00 C ATOM 1280 O VAL A 82 7.379 7.880 0.609 1.00 0.00 O ATOM 1281 CB VAL A 82 9.832 6.956 -0.913 1.00 0.00 C ATOM 1282 CG1 VAL A 82 10.593 6.039 0.046 1.00 0.00 C ATOM 1283 CG2 VAL A 82 10.537 7.040 -2.269 1.00 0.00 C ATOM 0 H VAL A 82 7.752 8.185 -2.145 1.00 0.00 H new ATOM 0 HA VAL A 82 8.414 5.419 -1.243 1.00 0.00 H new ATOM 0 HB VAL A 82 9.820 7.956 -0.480 1.00 0.00 H new ATOM 0 HG11 VAL A 82 11.621 6.388 0.145 1.00 0.00 H new ATOM 0 HG12 VAL A 82 10.110 6.053 1.023 1.00 0.00 H new ATOM 0 HG13 VAL A 82 10.592 5.022 -0.345 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.566 7.369 -2.124 1.00 0.00 H new ATOM 0 HG22 VAL A 82 10.533 6.058 -2.742 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.014 7.753 -2.907 1.00 0.00 H new ATOM 1293 N PHE A 83 7.002 5.652 0.711 1.00 0.00 N ATOM 1294 CA PHE A 83 6.172 5.734 1.900 1.00 0.00 C ATOM 1295 C PHE A 83 6.882 5.118 3.108 1.00 0.00 C ATOM 1296 O PHE A 83 7.274 3.952 3.073 1.00 0.00 O ATOM 1297 CB PHE A 83 4.898 4.939 1.612 1.00 0.00 C ATOM 1298 CG PHE A 83 3.983 5.585 0.570 1.00 0.00 C ATOM 1299 CD1 PHE A 83 3.417 6.797 0.821 1.00 0.00 C ATOM 1300 CD2 PHE A 83 3.735 4.949 -0.606 1.00 0.00 C ATOM 1301 CE1 PHE A 83 2.568 7.397 -0.146 1.00 0.00 C ATOM 1302 CE2 PHE A 83 2.885 5.549 -1.572 1.00 0.00 C ATOM 1303 CZ PHE A 83 2.320 6.761 -1.322 1.00 0.00 C ATOM 0 H PHE A 83 7.132 4.709 0.346 1.00 0.00 H new ATOM 0 HA PHE A 83 5.957 6.777 2.132 1.00 0.00 H new ATOM 0 HB2 PHE A 83 5.174 3.942 1.270 1.00 0.00 H new ATOM 0 HB3 PHE A 83 4.342 4.814 2.541 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.614 7.302 1.755 1.00 0.00 H new ATOM 0 HD2 PHE A 83 4.185 3.987 -0.805 1.00 0.00 H new ATOM 0 HE1 PHE A 83 2.119 8.359 0.053 1.00 0.00 H new ATOM 0 HE2 PHE A 83 2.687 5.043 -2.505 1.00 0.00 H new ATOM 0 HZ PHE A 83 1.675 7.218 -2.057 1.00 0.00 H new ATOM 1313 N LYS A 84 7.026 5.928 4.146 1.00 0.00 N ATOM 1314 CA LYS A 84 7.681 5.477 5.362 1.00 0.00 C ATOM 1315 C LYS A 84 6.632 5.269 6.456 1.00 0.00 C ATOM 1316 O LYS A 84 5.572 5.894 6.431 1.00 0.00 O ATOM 1317 CB LYS A 84 8.799 6.443 5.758 1.00 0.00 C ATOM 1318 CG LYS A 84 9.315 6.138 7.166 1.00 0.00 C ATOM 1319 CD LYS A 84 10.322 7.195 7.622 1.00 0.00 C ATOM 1320 CE LYS A 84 10.383 7.271 9.149 1.00 0.00 C ATOM 1321 NZ LYS A 84 11.566 8.048 9.583 1.00 0.00 N ATOM 0 H LYS A 84 6.700 6.894 4.170 1.00 0.00 H new ATOM 0 HA LYS A 84 8.165 4.514 5.198 1.00 0.00 H new ATOM 0 HB2 LYS A 84 9.618 6.369 5.043 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.431 7.468 5.716 1.00 0.00 H new ATOM 0 HG2 LYS A 84 8.478 6.103 7.864 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.784 5.154 7.180 1.00 0.00 H new ATOM 0 HD2 LYS A 84 11.309 6.957 7.226 1.00 0.00 H new ATOM 0 HD3 LYS A 84 10.043 8.168 7.217 1.00 0.00 H new ATOM 0 HE2 LYS A 84 9.475 7.736 9.532 1.00 0.00 H new ATOM 0 HE3 LYS A 84 10.428 6.266 9.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 11.592 8.090 10.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 12.431 7.588 9.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 11.507 9.013 9.199 1.00 0.00 H new ATOM 1335 N ALA A 85 6.962 4.390 7.389 1.00 0.00 N ATOM 1336 CA ALA A 85 6.061 4.092 8.490 1.00 0.00 C ATOM 1337 C ALA A 85 6.801 4.284 9.815 1.00 0.00 C ATOM 1338 O ALA A 85 8.028 4.206 9.862 1.00 0.00 O ATOM 1339 CB ALA A 85 5.510 2.674 8.329 1.00 0.00 C ATOM 0 H ALA A 85 7.841 3.874 7.406 1.00 0.00 H new ATOM 0 HA ALA A 85 5.211 4.774 8.486 1.00 0.00 H new ATOM 0 HB1 ALA A 85 4.834 2.450 9.155 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.968 2.599 7.386 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.334 1.961 8.331 1.00 0.00 H new ATOM 1345 N ASP A 86 6.024 4.531 10.860 1.00 0.00 N ATOM 1346 CA ASP A 86 6.590 4.734 12.182 1.00 0.00 C ATOM 1347 C ASP A 86 7.013 3.383 12.765 1.00 0.00 C ATOM 1348 O ASP A 86 8.131 3.237 13.256 1.00 0.00 O ATOM 1349 CB ASP A 86 5.565 5.358 13.131 1.00 0.00 C ATOM 1350 CG ASP A 86 5.490 6.885 13.088 1.00 0.00 C ATOM 1351 OD1 ASP A 86 6.556 7.511 13.267 1.00 0.00 O ATOM 1352 OD2 ASP A 86 4.367 7.392 12.877 1.00 0.00 O ATOM 0 H ASP A 86 5.007 4.595 10.817 1.00 0.00 H new ATOM 0 HA ASP A 86 7.444 5.404 12.083 1.00 0.00 H new ATOM 0 HB2 ASP A 86 4.581 4.954 12.895 1.00 0.00 H new ATOM 0 HB3 ASP A 86 5.800 5.049 14.150 1.00 0.00 H new ATOM 1357 N ASP A 87 6.095 2.430 12.690 1.00 0.00 N ATOM 1358 CA ASP A 87 6.359 1.097 13.204 1.00 0.00 C ATOM 1359 C ASP A 87 6.683 0.161 12.038 1.00 0.00 C ATOM 1360 O ASP A 87 6.403 0.480 10.884 1.00 0.00 O ATOM 1361 CB ASP A 87 5.136 0.536 13.934 1.00 0.00 C ATOM 1362 CG ASP A 87 4.903 1.104 15.335 1.00 0.00 C ATOM 1363 OD1 ASP A 87 5.863 1.695 15.875 1.00 0.00 O ATOM 1364 OD2 ASP A 87 3.770 0.934 15.835 1.00 0.00 O ATOM 0 H ASP A 87 5.169 2.555 12.282 1.00 0.00 H new ATOM 0 HA ASP A 87 7.196 1.163 13.899 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.250 0.728 13.328 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.242 -0.546 14.010 1.00 0.00 H new ATOM 1369 N ALA A 88 7.271 -0.977 12.380 1.00 0.00 N ATOM 1370 CA ALA A 88 7.637 -1.961 11.376 1.00 0.00 C ATOM 1371 C ALA A 88 6.420 -2.830 11.053 1.00 0.00 C ATOM 1372 O ALA A 88 5.992 -2.902 9.902 1.00 0.00 O ATOM 1373 CB ALA A 88 8.824 -2.785 11.878 1.00 0.00 C ATOM 0 H ALA A 88 7.503 -1.239 13.338 1.00 0.00 H new ATOM 0 HA ALA A 88 7.947 -1.471 10.453 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.099 -3.523 11.125 1.00 0.00 H new ATOM 0 HB2 ALA A 88 9.671 -2.126 12.066 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.549 -3.294 12.802 1.00 0.00 H new ATOM 1379 N HIS A 89 5.896 -3.469 12.089 1.00 0.00 N ATOM 1380 CA HIS A 89 4.737 -4.330 11.929 1.00 0.00 C ATOM 1381 C HIS A 89 3.725 -3.661 10.997 1.00 0.00 C ATOM 1382 O HIS A 89 3.100 -4.327 10.173 1.00 0.00 O ATOM 1383 CB HIS A 89 4.139 -4.694 13.290 1.00 0.00 C ATOM 1384 CG HIS A 89 5.153 -5.191 14.293 1.00 0.00 C ATOM 1385 ND1 HIS A 89 6.456 -5.561 14.134 1.00 0.00 N flip ATOM 1386 CD2 HIS A 89 4.861 -5.354 15.636 1.00 0.00 C flip ATOM 1387 CE1 HIS A 89 6.935 -5.928 15.317 1.00 0.00 C flip ATOM 1388 NE2 HIS A 89 5.948 -5.801 16.249 1.00 0.00 N flip ATOM 0 H HIS A 89 6.253 -3.407 13.042 1.00 0.00 H new ATOM 0 HA HIS A 89 5.039 -5.270 11.466 1.00 0.00 H new ATOM 0 HB2 HIS A 89 3.636 -3.818 13.700 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.378 -5.461 13.148 1.00 0.00 H new ATOM 0 HD2 HIS A 89 3.909 -5.151 16.105 1.00 0.00 H new ATOM 0 HE1 HIS A 89 7.941 -6.271 15.509 1.00 0.00 H new ATOM 0 HE2 HIS A 89 6.031 -6.013 17.243 1.00 0.00 H new ATOM 1396 N SER A 90 3.594 -2.353 11.159 1.00 0.00 N ATOM 1397 CA SER A 90 2.669 -1.586 10.342 1.00 0.00 C ATOM 1398 C SER A 90 3.054 -1.702 8.866 1.00 0.00 C ATOM 1399 O SER A 90 2.203 -1.968 8.018 1.00 0.00 O ATOM 1400 CB SER A 90 2.643 -0.117 10.770 1.00 0.00 C ATOM 1401 OG SER A 90 1.844 0.086 11.932 1.00 0.00 O ATOM 0 H SER A 90 4.113 -1.804 11.844 1.00 0.00 H new ATOM 0 HA SER A 90 1.669 -1.995 10.483 1.00 0.00 H new ATOM 0 HB2 SER A 90 3.660 0.222 10.966 1.00 0.00 H new ATOM 0 HB3 SER A 90 2.256 0.492 9.953 1.00 0.00 H new ATOM 0 HG SER A 90 1.854 1.036 12.174 1.00 0.00 H new ATOM 1407 N THR A 91 4.337 -1.498 8.604 1.00 0.00 N ATOM 1408 CA THR A 91 4.845 -1.577 7.245 1.00 0.00 C ATOM 1409 C THR A 91 4.256 -2.792 6.525 1.00 0.00 C ATOM 1410 O THR A 91 3.648 -2.656 5.465 1.00 0.00 O ATOM 1411 CB THR A 91 6.373 -1.592 7.312 1.00 0.00 C ATOM 1412 OG1 THR A 91 6.693 -0.515 8.188 1.00 0.00 O ATOM 1413 CG2 THR A 91 7.021 -1.196 5.983 1.00 0.00 C ATOM 0 H THR A 91 5.040 -1.278 9.310 1.00 0.00 H new ATOM 0 HA THR A 91 4.539 -0.711 6.657 1.00 0.00 H new ATOM 0 HB THR A 91 6.714 -2.586 7.600 1.00 0.00 H new ATOM 0 HG1 THR A 91 5.891 0.025 8.349 1.00 0.00 H new ATOM 0 HG21 THR A 91 8.106 -1.223 6.085 1.00 0.00 H new ATOM 0 HG22 THR A 91 6.712 -1.895 5.205 1.00 0.00 H new ATOM 0 HG23 THR A 91 6.707 -0.188 5.711 1.00 0.00 H new ATOM 1421 N GLN A 92 4.458 -3.953 7.131 1.00 0.00 N ATOM 1422 CA GLN A 92 3.955 -5.192 6.561 1.00 0.00 C ATOM 1423 C GLN A 92 2.480 -5.041 6.182 1.00 0.00 C ATOM 1424 O GLN A 92 2.051 -5.528 5.137 1.00 0.00 O ATOM 1425 CB GLN A 92 4.156 -6.361 7.526 1.00 0.00 C ATOM 1426 CG GLN A 92 5.629 -6.770 7.593 1.00 0.00 C ATOM 1427 CD GLN A 92 6.061 -7.474 6.305 1.00 0.00 C ATOM 1428 OE1 GLN A 92 6.599 -6.662 5.399 1.00 0.00 O flip ATOM 1429 NE2 GLN A 92 5.916 -8.674 6.144 1.00 0.00 N flip ATOM 0 H GLN A 92 4.963 -4.062 8.011 1.00 0.00 H new ATOM 0 HA GLN A 92 4.522 -5.410 5.656 1.00 0.00 H new ATOM 0 HB2 GLN A 92 3.807 -6.081 8.520 1.00 0.00 H new ATOM 0 HB3 GLN A 92 3.553 -7.210 7.204 1.00 0.00 H new ATOM 0 HG2 GLN A 92 6.248 -5.888 7.755 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.788 -7.432 8.444 1.00 0.00 H new ATOM 0 HE21 GLN A 92 5.495 -9.240 6.881 1.00 0.00 H new ATOM 0 HE22 GLN A 92 6.215 -9.112 5.273 1.00 0.00 H new ATOM 1438 N ARG A 93 1.745 -4.364 7.052 1.00 0.00 N ATOM 1439 CA ARG A 93 0.327 -4.144 6.822 1.00 0.00 C ATOM 1440 C ARG A 93 0.119 -3.287 5.571 1.00 0.00 C ATOM 1441 O ARG A 93 -0.657 -3.649 4.688 1.00 0.00 O ATOM 1442 CB ARG A 93 -0.324 -3.450 8.020 1.00 0.00 C ATOM 1443 CG ARG A 93 -0.017 -4.198 9.319 1.00 0.00 C ATOM 1444 CD ARG A 93 -1.199 -4.123 10.288 1.00 0.00 C ATOM 1445 NE ARG A 93 -0.721 -3.780 11.645 1.00 0.00 N ATOM 1446 CZ ARG A 93 -1.493 -3.796 12.740 1.00 0.00 C ATOM 1447 NH1 ARG A 93 -2.785 -4.138 12.644 1.00 0.00 N ATOM 1448 NH2 ARG A 93 -0.973 -3.469 13.932 1.00 0.00 N ATOM 0 H ARG A 93 2.105 -3.961 7.917 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.141 -5.118 6.682 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.038 -2.425 8.092 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -1.403 -3.397 7.873 1.00 0.00 H new ATOM 0 HG2 ARG A 93 0.210 -5.241 9.097 1.00 0.00 H new ATOM 0 HG3 ARG A 93 0.870 -3.771 9.788 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -1.914 -3.375 9.945 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -1.724 -5.078 10.309 1.00 0.00 H new ATOM 0 HE ARG A 93 0.258 -3.515 11.754 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -3.181 -4.386 11.737 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -3.373 -4.150 13.478 1.00 0.00 H new ATOM 0 HH21 ARG A 93 0.010 -3.208 14.005 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -1.561 -3.481 14.766 1.00 0.00 H new ATOM 1462 N TRP A 94 0.827 -2.167 5.536 1.00 0.00 N ATOM 1463 CA TRP A 94 0.730 -1.256 4.408 1.00 0.00 C ATOM 1464 C TRP A 94 1.168 -2.011 3.151 1.00 0.00 C ATOM 1465 O TRP A 94 0.522 -1.917 2.109 1.00 0.00 O ATOM 1466 CB TRP A 94 1.546 0.014 4.657 1.00 0.00 C ATOM 1467 CG TRP A 94 0.740 1.160 5.273 1.00 0.00 C ATOM 1468 CD1 TRP A 94 0.868 1.695 6.494 1.00 0.00 C ATOM 1469 CD2 TRP A 94 -0.329 1.895 4.641 1.00 0.00 C ATOM 1470 NE1 TRP A 94 -0.037 2.717 6.696 1.00 0.00 N ATOM 1471 CE2 TRP A 94 -0.788 2.843 5.533 1.00 0.00 C ATOM 1472 CE3 TRP A 94 -0.890 1.764 3.359 1.00 0.00 C ATOM 1473 CZ2 TRP A 94 -1.829 3.732 5.239 1.00 0.00 C ATOM 1474 CZ3 TRP A 94 -1.929 2.660 3.080 1.00 0.00 C ATOM 1475 CH2 TRP A 94 -2.403 3.620 3.967 1.00 0.00 C ATOM 0 H TRP A 94 1.470 -1.870 6.270 1.00 0.00 H new ATOM 0 HA TRP A 94 -0.298 -0.920 4.272 1.00 0.00 H new ATOM 0 HB2 TRP A 94 2.380 -0.226 5.317 1.00 0.00 H new ATOM 0 HB3 TRP A 94 1.973 0.350 3.712 1.00 0.00 H new ATOM 0 HD1 TRP A 94 1.589 1.368 7.228 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -0.137 3.277 7.543 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -0.547 1.030 2.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -2.171 4.465 5.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -2.395 2.601 2.107 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -3.210 4.276 3.676 1.00 0.00 H new ATOM 1486 N ILE A 95 2.264 -2.743 3.291 1.00 0.00 N ATOM 1487 CA ILE A 95 2.796 -3.514 2.180 1.00 0.00 C ATOM 1488 C ILE A 95 1.718 -4.470 1.667 1.00 0.00 C ATOM 1489 O ILE A 95 1.238 -4.325 0.544 1.00 0.00 O ATOM 1490 CB ILE A 95 4.095 -4.212 2.586 1.00 0.00 C ATOM 1491 CG1 ILE A 95 5.212 -3.194 2.829 1.00 0.00 C ATOM 1492 CG2 ILE A 95 4.496 -5.267 1.554 1.00 0.00 C ATOM 1493 CD1 ILE A 95 6.360 -3.820 3.623 1.00 0.00 C ATOM 0 H ILE A 95 2.798 -2.818 4.157 1.00 0.00 H new ATOM 0 HA ILE A 95 3.060 -2.857 1.351 1.00 0.00 H new ATOM 0 HB ILE A 95 3.923 -4.732 3.528 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.585 -2.823 1.874 1.00 0.00 H new ATOM 0 HG13 ILE A 95 4.815 -2.336 3.371 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.423 -5.748 1.867 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.708 -6.015 1.474 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.644 -4.790 0.585 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.141 -3.076 3.782 1.00 0.00 H new ATOM 0 HD12 ILE A 95 5.988 -4.168 4.587 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.770 -4.663 3.067 1.00 0.00 H new ATOM 1505 N ASP A 96 1.370 -5.428 2.513 1.00 0.00 N ATOM 1506 CA ASP A 96 0.358 -6.409 2.159 1.00 0.00 C ATOM 1507 C ASP A 96 -0.917 -5.684 1.721 1.00 0.00 C ATOM 1508 O ASP A 96 -1.645 -6.170 0.857 1.00 0.00 O ATOM 1509 CB ASP A 96 0.010 -7.298 3.354 1.00 0.00 C ATOM 1510 CG ASP A 96 -0.151 -8.784 3.030 1.00 0.00 C ATOM 1511 OD1 ASP A 96 0.491 -9.224 2.051 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -0.912 -9.447 3.767 1.00 0.00 O ATOM 0 H ASP A 96 1.771 -5.546 3.443 1.00 0.00 H new ATOM 0 HA ASP A 96 0.755 -7.027 1.354 1.00 0.00 H new ATOM 0 HB2 ASP A 96 0.789 -7.189 4.108 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -0.917 -6.936 3.799 1.00 0.00 H new ATOM 1517 N ALA A 97 -1.147 -4.534 2.337 1.00 0.00 N ATOM 1518 CA ALA A 97 -2.321 -3.738 2.022 1.00 0.00 C ATOM 1519 C ALA A 97 -2.188 -3.180 0.604 1.00 0.00 C ATOM 1520 O ALA A 97 -3.171 -3.101 -0.131 1.00 0.00 O ATOM 1521 CB ALA A 97 -2.486 -2.635 3.069 1.00 0.00 C ATOM 0 H ALA A 97 -0.540 -4.134 3.053 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.221 -4.353 2.051 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.367 -2.038 2.833 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -2.606 -3.084 4.055 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.603 -1.996 3.067 1.00 0.00 H new ATOM 1527 N PHE A 98 -0.963 -2.808 0.261 1.00 0.00 N ATOM 1528 CA PHE A 98 -0.688 -2.260 -1.056 1.00 0.00 C ATOM 1529 C PHE A 98 -0.512 -3.376 -2.088 1.00 0.00 C ATOM 1530 O PHE A 98 -0.749 -3.169 -3.277 1.00 0.00 O ATOM 1531 CB PHE A 98 0.617 -1.470 -0.948 1.00 0.00 C ATOM 1532 CG PHE A 98 0.419 0.031 -0.723 1.00 0.00 C ATOM 1533 CD1 PHE A 98 -0.146 0.795 -1.696 1.00 0.00 C ATOM 1534 CD2 PHE A 98 0.809 0.600 0.449 1.00 0.00 C ATOM 1535 CE1 PHE A 98 -0.330 2.188 -1.487 1.00 0.00 C ATOM 1536 CE2 PHE A 98 0.625 1.992 0.657 1.00 0.00 C ATOM 1537 CZ PHE A 98 0.060 2.757 -0.315 1.00 0.00 C ATOM 0 H PHE A 98 -0.150 -2.876 0.873 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.518 -1.631 -1.379 1.00 0.00 H new ATOM 0 HB2 PHE A 98 1.208 -1.875 -0.127 1.00 0.00 H new ATOM 0 HB3 PHE A 98 1.195 -1.617 -1.860 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -0.455 0.343 -2.627 1.00 0.00 H new ATOM 0 HD2 PHE A 98 1.258 -0.007 1.221 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -0.780 2.795 -2.259 1.00 0.00 H new ATOM 0 HE2 PHE A 98 0.934 2.444 1.588 1.00 0.00 H new ATOM 0 HZ PHE A 98 -0.079 3.816 -0.156 1.00 0.00 H new ATOM 1547 N GLN A 99 -0.096 -4.534 -1.596 1.00 0.00 N ATOM 1548 CA GLN A 99 0.115 -5.682 -2.461 1.00 0.00 C ATOM 1549 C GLN A 99 -1.222 -6.340 -2.806 1.00 0.00 C ATOM 1550 O GLN A 99 -1.585 -6.441 -3.977 1.00 0.00 O ATOM 1551 CB GLN A 99 1.070 -6.687 -1.814 1.00 0.00 C ATOM 1552 CG GLN A 99 2.506 -6.467 -2.294 1.00 0.00 C ATOM 1553 CD GLN A 99 2.700 -7.015 -3.710 1.00 0.00 C ATOM 1554 OE1 GLN A 99 1.994 -7.901 -4.163 1.00 0.00 O ATOM 1555 NE2 GLN A 99 3.694 -6.439 -4.380 1.00 0.00 N ATOM 0 H GLN A 99 0.101 -4.702 -0.609 1.00 0.00 H new ATOM 0 HA GLN A 99 0.576 -5.336 -3.386 1.00 0.00 H new ATOM 0 HB2 GLN A 99 1.026 -6.589 -0.729 1.00 0.00 H new ATOM 0 HB3 GLN A 99 0.754 -7.702 -2.055 1.00 0.00 H new ATOM 0 HG2 GLN A 99 2.740 -5.403 -2.277 1.00 0.00 H new ATOM 0 HG3 GLN A 99 3.201 -6.957 -1.612 1.00 0.00 H new ATOM 0 HE21 GLN A 99 4.246 -5.702 -3.940 1.00 0.00 H new ATOM 0 HE22 GLN A 99 3.904 -6.734 -5.334 1.00 0.00 H new ATOM 1564 N GLU A 100 -1.920 -6.770 -1.765 1.00 0.00 N ATOM 1565 CA GLU A 100 -3.209 -7.416 -1.943 1.00 0.00 C ATOM 1566 C GLU A 100 -4.077 -6.610 -2.912 1.00 0.00 C ATOM 1567 O GLU A 100 -4.933 -7.169 -3.595 1.00 0.00 O ATOM 1568 CB GLU A 100 -3.918 -7.605 -0.600 1.00 0.00 C ATOM 1569 CG GLU A 100 -3.404 -8.853 0.120 1.00 0.00 C ATOM 1570 CD GLU A 100 -4.565 -9.733 0.589 1.00 0.00 C ATOM 1571 OE1 GLU A 100 -5.440 -10.015 -0.257 1.00 0.00 O ATOM 1572 OE2 GLU A 100 -4.550 -10.103 1.783 1.00 0.00 O ATOM 0 H GLU A 100 -1.617 -6.684 -0.795 1.00 0.00 H new ATOM 0 HA GLU A 100 -3.042 -8.405 -2.371 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.758 -6.727 0.026 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -4.993 -7.690 -0.761 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -2.758 -9.423 -0.548 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -2.797 -8.559 0.976 1.00 0.00 H new ATOM 1579 N GLY A 101 -3.824 -5.310 -2.941 1.00 0.00 N ATOM 1580 CA GLY A 101 -4.571 -4.422 -3.815 1.00 0.00 C ATOM 1581 C GLY A 101 -4.249 -4.701 -5.285 1.00 0.00 C ATOM 1582 O GLY A 101 -5.131 -5.073 -6.057 1.00 0.00 O ATOM 0 H GLY A 101 -3.112 -4.850 -2.373 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -5.640 -4.550 -3.642 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -4.332 -3.386 -3.577 1.00 0.00 H new ATOM 1586 N THR A 102 -2.984 -4.510 -5.627 1.00 0.00 N ATOM 1587 CA THR A 102 -2.535 -4.737 -6.990 1.00 0.00 C ATOM 1588 C THR A 102 -2.845 -6.171 -7.423 1.00 0.00 C ATOM 1589 O THR A 102 -3.003 -6.444 -8.612 1.00 0.00 O ATOM 1590 CB THR A 102 -1.046 -4.389 -7.061 1.00 0.00 C ATOM 1591 OG1 THR A 102 -0.416 -5.398 -6.277 1.00 0.00 O ATOM 1592 CG2 THR A 102 -0.713 -3.087 -6.331 1.00 0.00 C ATOM 0 H THR A 102 -2.255 -4.201 -4.984 1.00 0.00 H new ATOM 0 HA THR A 102 -3.068 -4.097 -7.693 1.00 0.00 H new ATOM 0 HB THR A 102 -0.742 -4.307 -8.105 1.00 0.00 H new ATOM 0 HG1 THR A 102 -0.988 -5.625 -5.514 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.355 -2.887 -6.412 1.00 0.00 H new ATOM 0 HG22 THR A 102 -1.271 -2.265 -6.780 1.00 0.00 H new ATOM 0 HG23 THR A 102 -0.986 -3.179 -5.280 1.00 0.00 H new ATOM 1600 N VAL A 103 -2.925 -7.049 -6.434 1.00 0.00 N ATOM 1601 CA VAL A 103 -3.214 -8.449 -6.697 1.00 0.00 C ATOM 1602 C VAL A 103 -4.681 -8.732 -6.370 1.00 0.00 C ATOM 1603 O VAL A 103 -5.423 -7.826 -5.993 1.00 0.00 O ATOM 1604 CB VAL A 103 -2.245 -9.339 -5.917 1.00 0.00 C ATOM 1605 CG1 VAL A 103 -2.634 -9.409 -4.439 1.00 0.00 C ATOM 1606 CG2 VAL A 103 -2.170 -10.738 -6.532 1.00 0.00 C ATOM 0 H VAL A 103 -2.795 -6.818 -5.449 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.066 -8.678 -7.752 1.00 0.00 H new ATOM 0 HB VAL A 103 -1.253 -8.892 -5.981 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -1.929 -10.048 -3.907 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -2.612 -8.408 -4.009 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -3.639 -9.821 -4.346 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -1.474 -11.351 -5.959 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -3.158 -11.197 -6.513 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -1.824 -10.664 -7.563 1.00 0.00 H new