USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 466 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 7 ASN : amide:sc= -0.0714 K(o=-0.071,f=-1.2!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 0.143 X(o=0.14,f=-0.17) USER MOD Single : A 20 SER OG : rot 180:sc= -0.0811 USER MOD Single : A 25 SER OG : rot -121:sc= 0.82 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 178:sc= -0.0582 (180deg=-0.0687) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 56:sc= 0.949 USER MOD Single : A 40 GLN : amide:sc= -0.0244 X(o=-0.024,f=-0.36) USER MOD Single : A 48 CYS SG : rot -150:sc= -0.0222 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 6 9.233 2.224 -20.436 1.00 25.00 N ATOM 81 CA LEU A 6 9.592 1.913 -21.825 1.00 25.00 C ATOM 82 C LEU A 6 8.418 2.158 -22.772 1.00 25.00 C ATOM 83 O LEU A 6 8.563 2.780 -23.807 1.00 25.00 O ATOM 84 CB LEU A 6 9.998 0.424 -21.926 1.00 25.00 C ATOM 85 CG LEU A 6 11.241 -0.036 -21.143 1.00 25.00 C ATOM 86 CD1 LEU A 6 11.374 -1.517 -21.129 1.00 25.00 C ATOM 87 CD2 LEU A 6 12.514 0.616 -21.671 1.00 25.00 C ATOM 0 HA LEU A 6 10.418 2.563 -22.113 1.00 25.00 H new ATOM 0 HB2 LEU A 6 9.152 -0.177 -21.594 1.00 25.00 H new ATOM 0 HB3 LEU A 6 10.160 0.192 -22.979 1.00 25.00 H new ATOM 0 HG LEU A 6 11.099 0.292 -20.113 1.00 25.00 H new ATOM 0 HD11 LEU A 6 12.264 -1.797 -20.566 1.00 25.00 H new ATOM 0 HD12 LEU A 6 10.494 -1.957 -20.659 1.00 25.00 H new ATOM 0 HD13 LEU A 6 11.461 -1.884 -22.152 1.00 25.00 H new ATOM 0 HD21 LEU A 6 13.369 0.266 -21.093 1.00 25.00 H new ATOM 0 HD22 LEU A 6 12.651 0.350 -22.719 1.00 25.00 H new ATOM 0 HD23 LEU A 6 12.433 1.699 -21.579 1.00 25.00 H new ATOM 99 N ASN A 7 7.260 1.724 -22.324 1.00 25.00 N ATOM 100 CA ASN A 7 6.002 1.960 -23.019 1.00 25.00 C ATOM 101 C ASN A 7 6.037 1.570 -24.517 1.00 25.00 C ATOM 102 O ASN A 7 5.376 2.220 -25.353 1.00 25.00 O ATOM 103 CB ASN A 7 5.545 3.420 -22.803 1.00 25.00 C ATOM 104 CG ASN A 7 4.060 3.588 -22.933 1.00 25.00 C ATOM 105 OD1 ASN A 7 3.330 2.743 -22.472 1.00 25.00 O ATOM 106 ND2 ASN A 7 3.604 4.652 -23.504 1.00 25.00 N ATOM 0 H ASN A 7 7.159 1.192 -21.460 1.00 25.00 H new ATOM 0 HA ASN A 7 5.261 1.293 -22.579 1.00 25.00 H new ATOM 0 HB2 ASN A 7 5.859 3.752 -21.813 1.00 25.00 H new ATOM 0 HB3 ASN A 7 6.044 4.063 -23.528 1.00 25.00 H new ATOM 0 HD21 ASN A 7 2.597 4.800 -23.577 1.00 25.00 H new ATOM 0 HD22 ASN A 7 4.250 5.345 -23.882 1.00 25.00 H new ATOM 113 N VAL A 8 6.732 0.472 -24.836 1.00 25.00 N ATOM 114 CA VAL A 8 6.757 -0.060 -26.211 1.00 25.00 C ATOM 115 C VAL A 8 5.942 -1.340 -26.111 1.00 25.00 C ATOM 116 O VAL A 8 5.773 -1.842 -25.017 1.00 25.00 O ATOM 117 CB VAL A 8 8.244 -0.342 -26.721 1.00 25.00 C ATOM 118 CG1 VAL A 8 8.899 -1.455 -25.886 1.00 25.00 C ATOM 119 CG2 VAL A 8 8.302 -0.609 -28.218 1.00 25.00 C ATOM 0 H VAL A 8 7.283 -0.066 -24.167 1.00 25.00 H new ATOM 0 HA VAL A 8 6.352 0.644 -26.938 1.00 25.00 H new ATOM 0 HB VAL A 8 8.830 0.564 -26.569 1.00 25.00 H new ATOM 0 HG11 VAL A 8 9.912 -1.633 -26.248 1.00 25.00 H new ATOM 0 HG12 VAL A 8 8.936 -1.151 -24.840 1.00 25.00 H new ATOM 0 HG13 VAL A 8 8.314 -2.370 -25.978 1.00 25.00 H new ATOM 0 HG21 VAL A 8 9.334 -0.795 -28.515 1.00 25.00 H new ATOM 0 HG22 VAL A 8 7.693 -1.481 -28.456 1.00 25.00 H new ATOM 0 HG23 VAL A 8 7.920 0.258 -28.757 1.00 25.00 H new ATOM 129 N LEU A 9 5.431 -1.876 -27.205 1.00 25.00 N ATOM 130 CA LEU A 9 4.592 -3.096 -27.148 1.00 25.00 C ATOM 131 C LEU A 9 5.254 -4.133 -28.034 1.00 25.00 C ATOM 132 O LEU A 9 6.101 -3.790 -28.888 1.00 25.00 O ATOM 133 CB LEU A 9 3.103 -2.904 -27.528 1.00 25.00 C ATOM 134 CG LEU A 9 2.661 -1.566 -28.125 1.00 25.00 C ATOM 135 CD1 LEU A 9 1.361 -1.668 -28.976 1.00 25.00 C ATOM 136 CD2 LEU A 9 2.450 -0.527 -27.042 1.00 25.00 C ATOM 0 H LEU A 9 5.571 -1.502 -28.144 1.00 25.00 H new ATOM 0 HA LEU A 9 4.542 -3.412 -26.106 1.00 25.00 H new ATOM 0 HB2 LEU A 9 2.841 -3.686 -28.241 1.00 25.00 H new ATOM 0 HB3 LEU A 9 2.508 -3.078 -26.631 1.00 25.00 H new ATOM 0 HG LEU A 9 3.473 -1.265 -28.787 1.00 25.00 H new ATOM 0 HD11 LEU A 9 1.105 -0.684 -29.369 1.00 25.00 H new ATOM 0 HD12 LEU A 9 1.521 -2.359 -29.804 1.00 25.00 H new ATOM 0 HD13 LEU A 9 0.545 -2.033 -28.352 1.00 25.00 H new ATOM 0 HD21 LEU A 9 2.137 0.413 -27.496 1.00 25.00 H new ATOM 0 HD22 LEU A 9 1.680 -0.872 -26.352 1.00 25.00 H new ATOM 0 HD23 LEU A 9 3.382 -0.374 -26.498 1.00 25.00 H new ATOM 148 N ALA A 10 4.915 -5.392 -27.783 1.00 25.00 N ATOM 149 CA ALA A 10 5.497 -6.521 -28.467 1.00 25.00 C ATOM 150 C ALA A 10 4.373 -7.531 -28.861 1.00 25.00 C ATOM 151 O ALA A 10 3.393 -7.668 -28.147 1.00 25.00 O ATOM 152 CB ALA A 10 6.522 -7.223 -27.496 1.00 25.00 C ATOM 0 H ALA A 10 4.217 -5.652 -27.087 1.00 25.00 H new ATOM 0 HA ALA A 10 6.007 -6.187 -29.370 1.00 25.00 H new ATOM 0 HB1 ALA A 10 6.971 -8.080 -27.999 1.00 25.00 H new ATOM 0 HB2 ALA A 10 7.303 -6.515 -27.218 1.00 25.00 H new ATOM 0 HB3 ALA A 10 6.002 -7.560 -26.600 1.00 25.00 H new ATOM 158 N LYS A 11 4.617 -8.340 -29.883 1.00 25.00 N ATOM 159 CA LYS A 11 3.768 -9.469 -30.211 1.00 25.00 C ATOM 160 C LYS A 11 4.359 -10.781 -29.654 1.00 25.00 C ATOM 161 O LYS A 11 5.576 -11.013 -29.794 1.00 25.00 O ATOM 162 CB LYS A 11 3.740 -9.625 -31.761 1.00 25.00 C ATOM 163 CG LYS A 11 2.806 -10.703 -32.312 1.00 25.00 C ATOM 164 CD LYS A 11 2.936 -10.796 -33.797 1.00 25.00 C ATOM 165 CE LYS A 11 2.023 -11.899 -34.306 1.00 25.00 C ATOM 166 NZ LYS A 11 1.994 -12.186 -35.804 1.00 25.00 N ATOM 0 H LYS A 11 5.415 -8.228 -30.509 1.00 25.00 H new ATOM 0 HA LYS A 11 2.780 -9.290 -29.787 1.00 25.00 H new ATOM 0 HB2 LYS A 11 3.454 -8.668 -32.197 1.00 25.00 H new ATOM 0 HB3 LYS A 11 4.752 -9.841 -32.102 1.00 25.00 H new ATOM 0 HG2 LYS A 11 3.044 -11.665 -31.859 1.00 25.00 H new ATOM 0 HG3 LYS A 11 1.775 -10.471 -32.045 1.00 25.00 H new ATOM 0 HD2 LYS A 11 2.671 -9.845 -34.258 1.00 25.00 H new ATOM 0 HD3 LYS A 11 3.970 -11.006 -34.072 1.00 25.00 H new ATOM 0 HE2 LYS A 11 2.302 -12.822 -33.797 1.00 25.00 H new ATOM 0 HE3 LYS A 11 1.007 -11.658 -33.995 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 1.327 -12.961 -35.996 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 1.690 -11.333 -36.315 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 2.945 -12.460 -36.123 1.00 25.00 H new ATOM 180 N ALA A 12 3.533 -11.640 -29.075 1.00 25.00 N ATOM 181 CA ALA A 12 3.980 -12.983 -28.658 1.00 25.00 C ATOM 182 C ALA A 12 4.079 -13.951 -29.837 1.00 25.00 C ATOM 183 O ALA A 12 3.152 -14.043 -30.671 1.00 25.00 O ATOM 184 CB ALA A 12 3.069 -13.526 -27.569 1.00 25.00 C ATOM 0 H ALA A 12 2.552 -11.443 -28.879 1.00 25.00 H new ATOM 0 HA ALA A 12 4.987 -12.886 -28.252 1.00 25.00 H new ATOM 0 HB1 ALA A 12 3.410 -14.517 -27.270 1.00 25.00 H new ATOM 0 HB2 ALA A 12 3.094 -12.859 -26.707 1.00 25.00 H new ATOM 0 HB3 ALA A 12 2.049 -13.592 -27.947 1.00 25.00 H new ATOM 190 N LEU A 13 5.207 -14.638 -29.941 1.00 25.00 N ATOM 191 CA LEU A 13 5.476 -15.548 -31.040 1.00 25.00 C ATOM 192 C LEU A 13 5.099 -16.971 -30.586 1.00 25.00 C ATOM 193 O LEU A 13 4.789 -17.805 -31.445 1.00 25.00 O ATOM 194 CB LEU A 13 6.955 -15.552 -31.364 1.00 25.00 C ATOM 195 CG LEU A 13 7.495 -14.184 -31.797 1.00 25.00 C ATOM 196 CD1 LEU A 13 9.017 -14.192 -31.911 1.00 25.00 C ATOM 197 CD2 LEU A 13 6.846 -13.756 -33.088 1.00 25.00 C ATOM 0 H LEU A 13 5.964 -14.578 -29.261 1.00 25.00 H new ATOM 0 HA LEU A 13 4.905 -15.235 -31.914 1.00 25.00 H new ATOM 0 HB2 LEU A 13 7.509 -15.891 -30.488 1.00 25.00 H new ATOM 0 HB3 LEU A 13 7.142 -16.275 -32.158 1.00 25.00 H new ATOM 0 HG LEU A 13 7.241 -13.456 -31.027 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.364 -13.206 -32.220 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.453 -14.444 -30.944 1.00 25.00 H new ATOM 0 HD13 LEU A 13 9.323 -14.932 -32.650 1.00 25.00 H new ATOM 0 HD21 LEU A 13 7.237 -12.783 -33.387 1.00 25.00 H new ATOM 0 HD22 LEU A 13 7.064 -14.489 -33.865 1.00 25.00 H new ATOM 0 HD23 LEU A 13 5.767 -13.686 -32.947 1.00 25.00 H new ATOM 209 N TYR A 14 5.070 -17.174 -29.292 1.00 25.00 N ATOM 210 CA TYR A 14 4.705 -18.440 -28.652 1.00 25.00 C ATOM 211 C TYR A 14 3.674 -18.240 -27.541 1.00 25.00 C ATOM 212 O TYR A 14 3.389 -17.123 -27.121 1.00 25.00 O ATOM 213 CB TYR A 14 5.948 -19.082 -28.051 1.00 25.00 C ATOM 214 CG TYR A 14 7.053 -19.326 -29.012 1.00 25.00 C ATOM 215 CD1 TYR A 14 8.063 -18.375 -29.210 1.00 25.00 C ATOM 216 CD2 TYR A 14 7.132 -20.546 -29.726 1.00 25.00 C ATOM 217 CE1 TYR A 14 9.118 -18.602 -30.140 1.00 25.00 C ATOM 218 CE2 TYR A 14 8.189 -20.772 -30.685 1.00 25.00 C ATOM 219 CZ TYR A 14 9.145 -19.765 -30.873 1.00 25.00 C ATOM 220 OH TYR A 14 10.126 -19.961 -31.793 1.00 25.00 O ATOM 0 H TYR A 14 5.306 -16.444 -28.620 1.00 25.00 H new ATOM 0 HA TYR A 14 4.268 -19.081 -29.417 1.00 25.00 H new ATOM 0 HB2 TYR A 14 6.318 -18.443 -27.249 1.00 25.00 H new ATOM 0 HB3 TYR A 14 5.665 -20.031 -27.597 1.00 25.00 H new ATOM 0 HD1 TYR A 14 8.041 -17.453 -28.647 1.00 25.00 H new ATOM 0 HD2 TYR A 14 6.395 -21.316 -29.552 1.00 25.00 H new ATOM 0 HE1 TYR A 14 9.895 -17.863 -30.269 1.00 25.00 H new ATOM 0 HE2 TYR A 14 8.241 -21.695 -31.243 1.00 25.00 H new ATOM 0 HH TYR A 14 10.002 -20.833 -32.223 1.00 25.00 H new ATOM 230 N ASP A 15 3.029 -19.309 -27.149 1.00 25.00 N ATOM 231 CA ASP A 15 2.013 -19.262 -26.119 1.00 25.00 C ATOM 232 C ASP A 15 2.575 -19.805 -24.818 1.00 25.00 C ATOM 233 O ASP A 15 3.565 -20.505 -24.823 1.00 25.00 O ATOM 234 CB ASP A 15 0.785 -19.986 -26.588 1.00 25.00 C ATOM 235 CG ASP A 15 0.928 -21.493 -26.647 1.00 25.00 C ATOM 236 OD1 ASP A 15 1.560 -22.028 -27.612 1.00 25.00 O ATOM 237 OD2 ASP A 15 0.269 -22.129 -25.788 1.00 25.00 O ATOM 0 H ASP A 15 3.191 -20.240 -27.533 1.00 25.00 H new ATOM 0 HA ASP A 15 1.713 -18.233 -25.922 1.00 25.00 H new ATOM 0 HB2 ASP A 15 -0.043 -19.738 -25.924 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.519 -19.620 -27.580 1.00 25.00 H new ATOM 242 N ASN A 16 1.918 -19.497 -23.698 1.00 25.00 N ATOM 243 CA ASN A 16 2.370 -19.933 -22.353 1.00 25.00 C ATOM 244 C ASN A 16 1.195 -20.084 -21.386 1.00 25.00 C ATOM 245 O ASN A 16 0.220 -19.344 -21.464 1.00 25.00 O ATOM 246 CB ASN A 16 3.346 -18.923 -21.790 1.00 25.00 C ATOM 247 CG ASN A 16 4.022 -19.380 -20.508 1.00 25.00 C ATOM 248 OD1 ASN A 16 4.540 -20.468 -20.447 1.00 25.00 O ATOM 249 ND2 ASN A 16 3.943 -18.585 -19.474 1.00 25.00 N ATOM 0 H ASN A 16 1.062 -18.942 -23.685 1.00 25.00 H new ATOM 0 HA ASN A 16 2.852 -20.904 -22.464 1.00 25.00 H new ATOM 0 HB2 ASN A 16 4.110 -18.712 -22.538 1.00 25.00 H new ATOM 0 HB3 ASN A 16 2.819 -17.988 -21.600 1.00 25.00 H new ATOM 0 HD21 ASN A 16 4.327 -18.877 -18.575 1.00 25.00 H new ATOM 0 HD22 ASN A 16 3.497 -17.672 -19.565 1.00 25.00 H new ATOM 256 N VAL A 17 1.351 -20.918 -20.404 1.00 25.00 N ATOM 257 CA VAL A 17 0.466 -20.998 -19.252 1.00 25.00 C ATOM 258 C VAL A 17 1.302 -20.637 -18.039 1.00 25.00 C ATOM 259 O VAL A 17 2.324 -21.276 -17.785 1.00 25.00 O ATOM 260 CB VAL A 17 -0.137 -22.449 -19.083 1.00 25.00 C ATOM 261 CG1 VAL A 17 -1.055 -22.500 -17.834 1.00 25.00 C ATOM 262 CG2 VAL A 17 -0.958 -22.848 -20.332 1.00 25.00 C ATOM 0 H VAL A 17 2.118 -21.589 -20.369 1.00 25.00 H new ATOM 0 HA VAL A 17 -0.378 -20.320 -19.377 1.00 25.00 H new ATOM 0 HB VAL A 17 0.690 -23.149 -18.961 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -1.466 -23.504 -17.725 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -0.476 -22.247 -16.946 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -1.869 -21.785 -17.952 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -1.364 -23.850 -20.195 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -1.776 -22.141 -20.471 1.00 25.00 H new ATOM 0 HG23 VAL A 17 -0.313 -22.835 -21.211 1.00 25.00 H new ATOM 272 N ALA A 18 0.910 -19.637 -17.265 1.00 25.00 N ATOM 273 CA ALA A 18 1.709 -19.239 -16.109 1.00 25.00 C ATOM 274 C ALA A 18 1.793 -20.322 -15.032 1.00 25.00 C ATOM 275 O ALA A 18 0.809 -20.644 -14.372 1.00 25.00 O ATOM 276 CB ALA A 18 1.064 -18.005 -15.505 1.00 25.00 C ATOM 0 H ALA A 18 0.060 -19.093 -17.409 1.00 25.00 H new ATOM 0 HA ALA A 18 2.726 -19.053 -16.453 1.00 25.00 H new ATOM 0 HB1 ALA A 18 1.639 -17.682 -14.637 1.00 25.00 H new ATOM 0 HB2 ALA A 18 1.044 -17.205 -16.245 1.00 25.00 H new ATOM 0 HB3 ALA A 18 0.045 -18.240 -15.198 1.00 25.00 H new ATOM 282 N GLU A 19 3.029 -20.774 -14.779 1.00 25.00 N ATOM 283 CA GLU A 19 3.293 -21.778 -13.696 1.00 25.00 C ATOM 284 C GLU A 19 3.386 -21.096 -12.342 1.00 25.00 C ATOM 285 O GLU A 19 3.328 -21.739 -11.288 1.00 25.00 O ATOM 286 CB GLU A 19 4.596 -22.513 -13.986 1.00 25.00 C ATOM 287 CG GLU A 19 5.903 -21.692 -13.793 1.00 25.00 C ATOM 288 CD GLU A 19 7.100 -22.431 -14.351 1.00 25.00 C ATOM 289 OE1 GLU A 19 8.196 -21.850 -14.416 1.00 25.00 O ATOM 290 OE2 GLU A 19 6.944 -23.611 -14.712 1.00 25.00 O ATOM 0 H GLU A 19 3.860 -20.477 -15.290 1.00 25.00 H new ATOM 0 HA GLU A 19 2.466 -22.488 -13.673 1.00 25.00 H new ATOM 0 HB2 GLU A 19 4.645 -23.392 -13.343 1.00 25.00 H new ATOM 0 HB3 GLU A 19 4.565 -22.872 -15.015 1.00 25.00 H new ATOM 0 HG2 GLU A 19 5.805 -20.726 -14.288 1.00 25.00 H new ATOM 0 HG3 GLU A 19 6.057 -21.493 -12.733 1.00 25.00 H new ATOM 297 N SER A 20 3.544 -19.775 -12.373 1.00 25.00 N ATOM 298 CA SER A 20 3.682 -18.982 -11.143 1.00 25.00 C ATOM 299 C SER A 20 2.763 -17.727 -11.252 1.00 25.00 C ATOM 300 O SER A 20 2.482 -17.307 -12.358 1.00 25.00 O ATOM 301 CB SER A 20 5.162 -18.629 -10.919 1.00 25.00 C ATOM 302 OG SER A 20 5.957 -19.819 -10.911 1.00 25.00 O ATOM 0 H SER A 20 3.580 -19.227 -13.233 1.00 25.00 H new ATOM 0 HA SER A 20 3.362 -19.550 -10.270 1.00 25.00 H new ATOM 0 HB2 SER A 20 5.507 -17.958 -11.706 1.00 25.00 H new ATOM 0 HB3 SER A 20 5.278 -18.099 -9.974 1.00 25.00 H new ATOM 0 HG SER A 20 6.898 -19.583 -10.769 1.00 25.00 H new ATOM 308 N PRO A 21 2.271 -17.186 -10.112 1.00 25.00 N ATOM 309 CA PRO A 21 1.377 -16.027 -10.236 1.00 25.00 C ATOM 310 C PRO A 21 2.132 -14.757 -10.640 1.00 25.00 C ATOM 311 O PRO A 21 1.505 -13.740 -10.981 1.00 25.00 O ATOM 312 CB PRO A 21 0.780 -15.896 -8.828 1.00 25.00 C ATOM 313 CG PRO A 21 1.898 -16.351 -7.939 1.00 25.00 C ATOM 314 CD PRO A 21 2.489 -17.532 -8.716 1.00 25.00 C ATOM 0 HA PRO A 21 0.625 -16.159 -11.014 1.00 25.00 H new ATOM 0 HB2 PRO A 21 0.484 -14.870 -8.610 1.00 25.00 H new ATOM 0 HB3 PRO A 21 -0.108 -16.516 -8.708 1.00 25.00 H new ATOM 0 HG2 PRO A 21 2.634 -15.563 -7.779 1.00 25.00 H new ATOM 0 HG3 PRO A 21 1.536 -16.654 -6.956 1.00 25.00 H new ATOM 0 HD2 PRO A 21 3.549 -17.661 -8.499 1.00 25.00 H new ATOM 0 HD3 PRO A 21 1.994 -18.468 -8.456 1.00 25.00 H new ATOM 322 N ASP A 22 3.471 -14.804 -10.592 1.00 25.00 N ATOM 323 CA ASP A 22 4.350 -13.713 -11.039 1.00 25.00 C ATOM 324 C ASP A 22 4.576 -13.791 -12.549 1.00 25.00 C ATOM 325 O ASP A 22 5.093 -12.852 -13.161 1.00 25.00 O ATOM 326 CB ASP A 22 5.735 -13.802 -10.323 1.00 25.00 C ATOM 327 CG ASP A 22 6.577 -12.496 -10.455 1.00 25.00 C ATOM 328 OD1 ASP A 22 6.000 -11.405 -10.634 1.00 25.00 O ATOM 329 OD2 ASP A 22 7.806 -12.584 -10.291 1.00 25.00 O ATOM 0 H ASP A 22 3.981 -15.612 -10.237 1.00 25.00 H new ATOM 0 HA ASP A 22 3.865 -12.769 -10.789 1.00 25.00 H new ATOM 0 HB2 ASP A 22 5.578 -14.021 -9.267 1.00 25.00 H new ATOM 0 HB3 ASP A 22 6.300 -14.635 -10.740 1.00 25.00 H new ATOM 334 N GLU A 23 4.186 -14.918 -13.146 1.00 25.00 N ATOM 335 CA GLU A 23 4.342 -15.135 -14.556 1.00 25.00 C ATOM 336 C GLU A 23 3.046 -14.853 -15.314 1.00 25.00 C ATOM 337 O GLU A 23 1.959 -15.040 -14.764 1.00 25.00 O ATOM 338 CB GLU A 23 4.813 -16.580 -14.792 1.00 25.00 C ATOM 339 CG GLU A 23 5.387 -16.926 -16.181 1.00 25.00 C ATOM 340 CD GLU A 23 5.931 -18.321 -16.207 1.00 25.00 C ATOM 341 OE1 GLU A 23 5.110 -19.277 -16.430 1.00 25.00 O ATOM 342 OE2 GLU A 23 7.173 -18.456 -16.068 1.00 25.00 O ATOM 0 H GLU A 23 3.754 -15.698 -12.651 1.00 25.00 H new ATOM 0 HA GLU A 23 5.090 -14.441 -14.939 1.00 25.00 H new ATOM 0 HB2 GLU A 23 5.574 -16.811 -14.047 1.00 25.00 H new ATOM 0 HB3 GLU A 23 3.969 -17.244 -14.602 1.00 25.00 H new ATOM 0 HG2 GLU A 23 4.608 -16.822 -16.936 1.00 25.00 H new ATOM 0 HG3 GLU A 23 6.176 -16.220 -16.438 1.00 25.00 H new ATOM 349 N LEU A 24 3.144 -14.412 -16.550 1.00 25.00 N ATOM 350 CA LEU A 24 1.950 -14.180 -17.361 1.00 25.00 C ATOM 351 C LEU A 24 1.583 -15.350 -18.293 1.00 25.00 C ATOM 352 O LEU A 24 2.463 -15.911 -18.982 1.00 25.00 O ATOM 353 CB LEU A 24 2.174 -12.939 -18.223 1.00 25.00 C ATOM 354 CG LEU A 24 1.421 -11.674 -17.766 1.00 25.00 C ATOM 355 CD1 LEU A 24 1.848 -10.460 -18.591 1.00 25.00 C ATOM 356 CD2 LEU A 24 -0.088 -11.844 -17.918 1.00 25.00 C ATOM 0 H LEU A 24 4.026 -14.206 -17.019 1.00 25.00 H new ATOM 0 HA LEU A 24 1.124 -14.059 -16.661 1.00 25.00 H new ATOM 0 HB2 LEU A 24 3.241 -12.719 -18.243 1.00 25.00 H new ATOM 0 HB3 LEU A 24 1.877 -13.169 -19.246 1.00 25.00 H new ATOM 0 HG LEU A 24 1.669 -11.519 -16.716 1.00 25.00 H new ATOM 0 HD11 LEU A 24 1.304 -9.579 -18.251 1.00 25.00 H new ATOM 0 HD12 LEU A 24 2.918 -10.295 -18.468 1.00 25.00 H new ATOM 0 HD13 LEU A 24 1.627 -10.639 -19.643 1.00 25.00 H new ATOM 0 HD21 LEU A 24 -0.592 -10.936 -17.588 1.00 25.00 H new ATOM 0 HD22 LEU A 24 -0.329 -12.033 -18.964 1.00 25.00 H new ATOM 0 HD23 LEU A 24 -0.422 -12.685 -17.311 1.00 25.00 H new ATOM 368 N SER A 25 0.281 -15.631 -18.401 1.00 25.00 N ATOM 369 CA SER A 25 -0.226 -16.559 -19.419 1.00 25.00 C ATOM 370 C SER A 25 -0.441 -15.806 -20.709 1.00 25.00 C ATOM 371 O SER A 25 -1.610 -15.445 -21.053 1.00 25.00 O ATOM 372 CB SER A 25 -1.565 -17.189 -18.997 1.00 25.00 C ATOM 373 OG SER A 25 -1.391 -18.009 -17.852 1.00 25.00 O ATOM 0 H SER A 25 -0.439 -15.232 -17.799 1.00 25.00 H new ATOM 0 HA SER A 25 0.509 -17.354 -19.543 1.00 25.00 H new ATOM 0 HB2 SER A 25 -2.291 -16.405 -18.783 1.00 25.00 H new ATOM 0 HB3 SER A 25 -1.969 -17.782 -19.818 1.00 25.00 H new ATOM 0 HG SER A 25 -1.671 -18.925 -18.060 1.00 25.00 H new ATOM 379 N PHE A 26 0.641 -15.589 -21.454 1.00 25.00 N ATOM 380 CA PHE A 26 0.562 -14.898 -22.736 1.00 25.00 C ATOM 381 C PHE A 26 0.246 -15.961 -23.785 1.00 25.00 C ATOM 382 O PHE A 26 0.423 -17.157 -23.578 1.00 25.00 O ATOM 383 CB PHE A 26 1.873 -14.104 -23.036 1.00 25.00 C ATOM 384 CG PHE A 26 3.128 -14.947 -23.017 1.00 25.00 C ATOM 385 CD1 PHE A 26 3.834 -15.147 -21.833 1.00 25.00 C ATOM 386 CD2 PHE A 26 3.610 -15.550 -24.196 1.00 25.00 C ATOM 387 CE1 PHE A 26 4.981 -15.972 -21.788 1.00 25.00 C ATOM 388 CE2 PHE A 26 4.787 -16.386 -24.183 1.00 25.00 C ATOM 389 CZ PHE A 26 5.495 -16.569 -22.970 1.00 25.00 C ATOM 0 H PHE A 26 1.582 -15.882 -21.191 1.00 25.00 H new ATOM 0 HA PHE A 26 -0.223 -14.142 -22.736 1.00 25.00 H new ATOM 0 HB2 PHE A 26 1.782 -13.631 -24.014 1.00 25.00 H new ATOM 0 HB3 PHE A 26 1.975 -13.304 -22.303 1.00 25.00 H new ATOM 0 HD1 PHE A 26 3.498 -14.661 -20.929 1.00 25.00 H new ATOM 0 HD2 PHE A 26 3.089 -15.384 -25.127 1.00 25.00 H new ATOM 0 HE1 PHE A 26 5.473 -16.151 -20.843 1.00 25.00 H new ATOM 0 HE2 PHE A 26 5.124 -16.867 -25.089 1.00 25.00 H new ATOM 0 HZ PHE A 26 6.405 -17.150 -22.944 1.00 25.00 H new ATOM 399 N ARG A 27 -0.313 -15.505 -24.907 1.00 25.00 N ATOM 400 CA ARG A 27 -0.784 -16.406 -25.973 1.00 25.00 C ATOM 401 C ARG A 27 -0.153 -15.932 -27.267 1.00 25.00 C ATOM 402 O ARG A 27 -0.021 -14.702 -27.478 1.00 25.00 O ATOM 403 CB ARG A 27 -2.337 -16.364 -26.118 1.00 25.00 C ATOM 404 CG ARG A 27 -3.091 -15.395 -25.183 1.00 25.00 C ATOM 405 CD ARG A 27 -3.354 -15.992 -23.855 1.00 25.00 C ATOM 406 NE ARG A 27 -4.197 -15.098 -23.080 1.00 25.00 N ATOM 407 CZ ARG A 27 -4.809 -15.428 -21.929 1.00 25.00 C ATOM 408 NH1 ARG A 27 -4.686 -16.619 -21.407 1.00 25.00 N ATOM 409 NH2 ARG A 27 -5.545 -14.531 -21.295 1.00 25.00 N ATOM 0 H ARG A 27 -0.453 -14.515 -25.106 1.00 25.00 H new ATOM 0 HA ARG A 27 -0.504 -17.432 -25.733 1.00 25.00 H new ATOM 0 HB2 ARG A 27 -2.576 -16.099 -27.148 1.00 25.00 H new ATOM 0 HB3 ARG A 27 -2.722 -17.370 -25.950 1.00 25.00 H new ATOM 0 HG2 ARG A 27 -2.507 -14.483 -25.060 1.00 25.00 H new ATOM 0 HG3 ARG A 27 -4.036 -15.109 -25.645 1.00 25.00 H new ATOM 0 HD2 ARG A 27 -3.841 -16.960 -23.970 1.00 25.00 H new ATOM 0 HD3 ARG A 27 -2.414 -16.168 -23.331 1.00 25.00 H new ATOM 0 HE ARG A 27 -4.335 -14.152 -23.435 1.00 25.00 H new ATOM 0 HH11 ARG A 27 -4.115 -17.324 -21.874 1.00 25.00 H new ATOM 0 HH12 ARG A 27 -5.161 -16.844 -20.533 1.00 25.00 H new ATOM 0 HH21 ARG A 27 -5.647 -13.592 -21.679 1.00 25.00 H new ATOM 0 HH22 ARG A 27 -6.010 -14.778 -20.422 1.00 25.00 H new ATOM 423 N LYS A 28 0.154 -16.867 -28.168 1.00 25.00 N ATOM 424 CA LYS A 28 0.729 -16.481 -29.467 1.00 25.00 C ATOM 425 C LYS A 28 -0.216 -15.551 -30.239 1.00 25.00 C ATOM 426 O LYS A 28 -1.436 -15.721 -30.222 1.00 25.00 O ATOM 427 CB LYS A 28 1.036 -17.732 -30.262 1.00 25.00 C ATOM 428 CG LYS A 28 -0.144 -18.607 -30.713 1.00 25.00 C ATOM 429 CD LYS A 28 0.409 -19.863 -31.427 1.00 25.00 C ATOM 430 CE LYS A 28 -0.673 -20.784 -31.954 1.00 25.00 C ATOM 431 NZ LYS A 28 -1.422 -20.161 -33.123 1.00 25.00 N ATOM 0 H LYS A 28 0.021 -17.869 -28.034 1.00 25.00 H new ATOM 0 HA LYS A 28 1.652 -15.927 -29.299 1.00 25.00 H new ATOM 0 HB2 LYS A 28 1.591 -17.435 -31.152 1.00 25.00 H new ATOM 0 HB3 LYS A 28 1.703 -18.353 -29.664 1.00 25.00 H new ATOM 0 HG2 LYS A 28 -0.748 -18.897 -29.854 1.00 25.00 H new ATOM 0 HG3 LYS A 28 -0.794 -18.047 -31.385 1.00 25.00 H new ATOM 0 HD2 LYS A 28 1.044 -19.550 -32.256 1.00 25.00 H new ATOM 0 HD3 LYS A 28 1.041 -20.417 -30.733 1.00 25.00 H new ATOM 0 HE2 LYS A 28 -0.227 -21.727 -32.269 1.00 25.00 H new ATOM 0 HE3 LYS A 28 -1.376 -21.016 -31.153 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 -2.154 -20.820 -33.457 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 -1.869 -19.274 -32.816 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 -0.756 -19.963 -33.897 1.00 25.00 H new ATOM 445 N GLY A 29 0.338 -14.525 -30.860 1.00 25.00 N ATOM 446 CA GLY A 29 -0.474 -13.572 -31.581 1.00 25.00 C ATOM 447 C GLY A 29 -0.974 -12.456 -30.694 1.00 25.00 C ATOM 448 O GLY A 29 -1.506 -11.468 -31.256 1.00 25.00 O ATOM 0 H GLY A 29 1.340 -14.334 -30.878 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.108 -13.149 -32.400 1.00 25.00 H new ATOM 0 HA3 GLY A 29 -1.325 -14.087 -32.027 1.00 25.00 H new ATOM 452 N ASP A 30 -0.937 -12.612 -29.390 1.00 25.00 N ATOM 453 CA ASP A 30 -1.423 -11.520 -28.540 1.00 25.00 C ATOM 454 C ASP A 30 -0.382 -10.385 -28.465 1.00 25.00 C ATOM 455 O ASP A 30 0.821 -10.579 -28.818 1.00 25.00 O ATOM 456 CB ASP A 30 -1.716 -12.060 -27.142 1.00 25.00 C ATOM 457 CG ASP A 30 -2.867 -11.367 -26.452 1.00 25.00 C ATOM 458 OD1 ASP A 30 -3.398 -11.983 -25.495 1.00 25.00 O ATOM 459 OD2 ASP A 30 -3.260 -10.246 -26.853 1.00 25.00 O ATOM 0 H ASP A 30 -0.595 -13.439 -28.901 1.00 25.00 H new ATOM 0 HA ASP A 30 -2.338 -11.114 -28.972 1.00 25.00 H new ATOM 0 HB2 ASP A 30 -1.935 -13.126 -27.212 1.00 25.00 H new ATOM 0 HB3 ASP A 30 -0.821 -11.958 -26.528 1.00 25.00 H new ATOM 464 N ILE A 31 -0.824 -9.219 -28.017 1.00 25.00 N ATOM 465 CA ILE A 31 0.005 -8.023 -27.962 1.00 25.00 C ATOM 466 C ILE A 31 0.033 -7.534 -26.515 1.00 25.00 C ATOM 467 O ILE A 31 -0.999 -7.289 -25.910 1.00 25.00 O ATOM 468 CB ILE A 31 -0.546 -6.871 -28.876 1.00 25.00 C ATOM 469 CG1 ILE A 31 -0.891 -7.384 -30.294 1.00 25.00 C ATOM 470 CG2 ILE A 31 0.406 -5.667 -28.902 1.00 25.00 C ATOM 471 CD1 ILE A 31 0.323 -7.901 -31.127 1.00 25.00 C ATOM 0 H ILE A 31 -1.775 -9.075 -27.679 1.00 25.00 H new ATOM 0 HA ILE A 31 1.001 -8.280 -28.324 1.00 25.00 H new ATOM 0 HB ILE A 31 -1.480 -6.520 -28.437 1.00 25.00 H new ATOM 0 HG12 ILE A 31 -1.619 -8.190 -30.204 1.00 25.00 H new ATOM 0 HG13 ILE A 31 -1.374 -6.578 -30.847 1.00 25.00 H new ATOM 0 HG21 ILE A 31 -0.008 -4.890 -29.544 1.00 25.00 H new ATOM 0 HG22 ILE A 31 0.527 -5.277 -27.891 1.00 25.00 H new ATOM 0 HG23 ILE A 31 1.376 -5.979 -29.289 1.00 25.00 H new ATOM 0 HD11 ILE A 31 -0.023 -8.238 -32.104 1.00 25.00 H new ATOM 0 HD12 ILE A 31 1.045 -7.095 -31.256 1.00 25.00 H new ATOM 0 HD13 ILE A 31 0.796 -8.732 -30.603 1.00 25.00 H new ATOM 483 N MET A 32 1.228 -7.315 -25.974 1.00 25.00 N ATOM 484 CA MET A 32 1.399 -6.782 -24.597 1.00 25.00 C ATOM 485 C MET A 32 2.368 -5.650 -24.544 1.00 25.00 C ATOM 486 O MET A 32 3.336 -5.602 -25.282 1.00 25.00 O ATOM 487 CB MET A 32 1.888 -7.891 -23.646 1.00 25.00 C ATOM 488 CG MET A 32 3.114 -8.662 -24.174 1.00 25.00 C ATOM 489 SD MET A 32 2.890 -10.455 -24.070 1.00 25.00 S ATOM 490 CE MET A 32 1.603 -10.825 -25.372 1.00 25.00 C ATOM 0 H MET A 32 2.106 -7.495 -26.460 1.00 25.00 H new ATOM 0 HA MET A 32 0.421 -6.416 -24.283 1.00 25.00 H new ATOM 0 HB2 MET A 32 2.136 -7.448 -22.682 1.00 25.00 H new ATOM 0 HB3 MET A 32 1.074 -8.595 -23.473 1.00 25.00 H new ATOM 0 HG2 MET A 32 3.300 -8.380 -25.210 1.00 25.00 H new ATOM 0 HG3 MET A 32 3.996 -8.374 -23.602 1.00 25.00 H new ATOM 0 HE1 MET A 32 1.423 -11.899 -25.411 1.00 25.00 H new ATOM 0 HE2 MET A 32 0.675 -10.311 -25.123 1.00 25.00 H new ATOM 0 HE3 MET A 32 1.959 -10.481 -26.343 1.00 25.00 H new ATOM 500 N THR A 33 2.119 -4.738 -23.623 1.00 25.00 N ATOM 501 CA THR A 33 3.031 -3.602 -23.370 1.00 25.00 C ATOM 502 C THR A 33 4.197 -4.025 -22.480 1.00 25.00 C ATOM 503 O THR A 33 4.009 -4.685 -21.481 1.00 25.00 O ATOM 504 CB THR A 33 2.264 -2.488 -22.637 1.00 25.00 C ATOM 505 OG1 THR A 33 1.086 -2.194 -23.323 1.00 25.00 O ATOM 506 CG2 THR A 33 3.104 -1.201 -22.622 1.00 25.00 C ATOM 0 H THR A 33 1.292 -4.749 -23.027 1.00 25.00 H new ATOM 0 HA THR A 33 3.411 -3.255 -24.331 1.00 25.00 H new ATOM 0 HB THR A 33 2.052 -2.830 -21.624 1.00 25.00 H new ATOM 0 HG1 THR A 33 0.601 -1.485 -22.851 1.00 25.00 H new ATOM 0 HG21 THR A 33 2.556 -0.415 -22.102 1.00 25.00 H new ATOM 0 HG22 THR A 33 4.047 -1.388 -22.108 1.00 25.00 H new ATOM 0 HG23 THR A 33 3.305 -0.886 -23.646 1.00 25.00 H new ATOM 514 N VAL A 34 5.422 -3.682 -22.887 1.00 25.00 N ATOM 515 CA VAL A 34 6.622 -4.038 -22.088 1.00 25.00 C ATOM 516 C VAL A 34 6.931 -2.835 -21.196 1.00 25.00 C ATOM 517 O VAL A 34 6.992 -1.666 -21.695 1.00 25.00 O ATOM 518 CB VAL A 34 7.865 -4.277 -22.984 1.00 25.00 C ATOM 519 CG1 VAL A 34 9.098 -4.527 -22.148 1.00 25.00 C ATOM 520 CG2 VAL A 34 7.639 -5.511 -23.871 1.00 25.00 C ATOM 0 H VAL A 34 5.619 -3.168 -23.746 1.00 25.00 H new ATOM 0 HA VAL A 34 6.417 -4.952 -21.530 1.00 25.00 H new ATOM 0 HB VAL A 34 8.010 -3.384 -23.591 1.00 25.00 H new ATOM 0 HG11 VAL A 34 9.954 -4.691 -22.802 1.00 25.00 H new ATOM 0 HG12 VAL A 34 9.288 -3.662 -21.512 1.00 25.00 H new ATOM 0 HG13 VAL A 34 8.943 -5.408 -21.525 1.00 25.00 H new ATOM 0 HG21 VAL A 34 8.516 -5.674 -24.498 1.00 25.00 H new ATOM 0 HG22 VAL A 34 7.475 -6.386 -23.242 1.00 25.00 H new ATOM 0 HG23 VAL A 34 6.766 -5.350 -24.503 1.00 25.00 H new ATOM 530 N LEU A 35 7.082 -3.093 -19.909 1.00 25.00 N ATOM 531 CA LEU A 35 7.251 -2.060 -18.895 1.00 25.00 C ATOM 532 C LEU A 35 8.692 -1.918 -18.406 1.00 25.00 C ATOM 533 O LEU A 35 9.206 -0.799 -18.215 1.00 25.00 O ATOM 534 CB LEU A 35 6.364 -2.393 -17.678 1.00 25.00 C ATOM 535 CG LEU A 35 4.866 -2.652 -17.977 1.00 25.00 C ATOM 536 CD1 LEU A 35 4.128 -3.063 -16.696 1.00 25.00 C ATOM 537 CD2 LEU A 35 4.179 -1.466 -18.607 1.00 25.00 C ATOM 0 H LEU A 35 7.091 -4.040 -19.530 1.00 25.00 H new ATOM 0 HA LEU A 35 6.966 -1.118 -19.363 1.00 25.00 H new ATOM 0 HB2 LEU A 35 6.773 -3.276 -17.186 1.00 25.00 H new ATOM 0 HB3 LEU A 35 6.435 -1.570 -16.967 1.00 25.00 H new ATOM 0 HG LEU A 35 4.830 -3.466 -18.701 1.00 25.00 H new ATOM 0 HD11 LEU A 35 3.077 -3.241 -16.923 1.00 25.00 H new ATOM 0 HD12 LEU A 35 4.573 -3.974 -16.296 1.00 25.00 H new ATOM 0 HD13 LEU A 35 4.209 -2.266 -15.957 1.00 25.00 H new ATOM 0 HD21 LEU A 35 3.133 -1.708 -18.793 1.00 25.00 H new ATOM 0 HD22 LEU A 35 4.240 -0.611 -17.934 1.00 25.00 H new ATOM 0 HD23 LEU A 35 4.668 -1.221 -19.550 1.00 25.00 H new ATOM 549 N GLU A 36 9.362 -3.058 -18.270 1.00 25.00 N ATOM 550 CA GLU A 36 10.752 -3.097 -17.745 1.00 25.00 C ATOM 551 C GLU A 36 11.497 -4.308 -18.342 1.00 25.00 C ATOM 552 O GLU A 36 10.877 -5.303 -18.659 1.00 25.00 O ATOM 553 CB GLU A 36 10.657 -3.178 -16.212 1.00 25.00 C ATOM 554 CG GLU A 36 12.022 -3.188 -15.521 1.00 25.00 C ATOM 555 CD GLU A 36 11.917 -3.063 -14.009 1.00 25.00 C ATOM 556 OE1 GLU A 36 11.842 -1.916 -13.504 1.00 25.00 O ATOM 557 OE2 GLU A 36 11.859 -4.128 -13.349 1.00 25.00 O ATOM 0 H GLU A 36 8.980 -3.972 -18.511 1.00 25.00 H new ATOM 0 HA GLU A 36 11.315 -2.207 -18.026 1.00 25.00 H new ATOM 0 HB2 GLU A 36 10.078 -2.330 -15.845 1.00 25.00 H new ATOM 0 HB3 GLU A 36 10.111 -4.080 -15.936 1.00 25.00 H new ATOM 0 HG2 GLU A 36 12.543 -4.112 -15.769 1.00 25.00 H new ATOM 0 HG3 GLU A 36 12.626 -2.367 -15.908 1.00 25.00 H new ATOM 564 N ARG A 37 12.812 -4.218 -18.564 1.00 25.00 N ATOM 565 CA ARG A 37 13.580 -5.370 -19.034 1.00 25.00 C ATOM 566 C ARG A 37 14.530 -5.764 -17.945 1.00 25.00 C ATOM 567 O ARG A 37 14.880 -4.935 -17.147 1.00 25.00 O ATOM 568 CB ARG A 37 14.337 -5.027 -20.307 1.00 25.00 C ATOM 569 CG ARG A 37 13.449 -4.661 -21.517 1.00 25.00 C ATOM 570 CD ARG A 37 14.277 -4.127 -22.703 1.00 25.00 C ATOM 571 NE ARG A 37 14.865 -2.789 -22.370 1.00 25.00 N ATOM 572 CZ ARG A 37 15.543 -2.029 -23.228 1.00 25.00 C ATOM 573 NH1 ARG A 37 15.798 -2.403 -24.450 1.00 25.00 N ATOM 574 NH2 ARG A 37 15.947 -0.851 -22.848 1.00 25.00 N ATOM 0 H ARG A 37 13.360 -3.369 -18.427 1.00 25.00 H new ATOM 0 HA ARG A 37 12.910 -6.198 -19.267 1.00 25.00 H new ATOM 0 HB2 ARG A 37 15.005 -4.191 -20.100 1.00 25.00 H new ATOM 0 HB3 ARG A 37 14.964 -5.876 -20.579 1.00 25.00 H new ATOM 0 HG2 ARG A 37 12.888 -5.540 -21.834 1.00 25.00 H new ATOM 0 HG3 ARG A 37 12.720 -3.909 -21.217 1.00 25.00 H new ATOM 0 HD2 ARG A 37 15.073 -4.831 -22.945 1.00 25.00 H new ATOM 0 HD3 ARG A 37 13.645 -4.044 -23.587 1.00 25.00 H new ATOM 0 HE ARG A 37 14.737 -2.437 -21.421 1.00 25.00 H new ATOM 0 HH11 ARG A 37 15.474 -3.311 -24.784 1.00 25.00 H new ATOM 0 HH12 ARG A 37 16.321 -1.788 -25.073 1.00 25.00 H new ATOM 0 HH21 ARG A 37 15.743 -0.522 -21.904 1.00 25.00 H new ATOM 0 HH22 ARG A 37 16.467 -0.257 -23.494 1.00 25.00 H new ATOM 588 N ASP A 38 14.945 -7.028 -17.962 1.00 25.00 N ATOM 589 CA ASP A 38 15.841 -7.632 -16.949 1.00 25.00 C ATOM 590 C ASP A 38 15.200 -7.506 -15.578 1.00 25.00 C ATOM 591 O ASP A 38 15.800 -7.101 -14.594 1.00 25.00 O ATOM 592 CB ASP A 38 17.212 -6.933 -16.985 1.00 25.00 C ATOM 593 CG ASP A 38 18.289 -7.840 -16.407 1.00 25.00 C ATOM 594 OD1 ASP A 38 17.953 -8.833 -15.754 1.00 25.00 O ATOM 595 OD2 ASP A 38 19.447 -7.607 -16.688 1.00 25.00 O ATOM 0 H ASP A 38 14.668 -7.685 -18.692 1.00 25.00 H new ATOM 0 HA ASP A 38 15.994 -8.689 -17.168 1.00 25.00 H new ATOM 0 HB2 ASP A 38 17.464 -6.668 -18.012 1.00 25.00 H new ATOM 0 HB3 ASP A 38 17.168 -6.004 -16.417 1.00 25.00 H new ATOM 600 N THR A 39 13.873 -7.717 -15.546 1.00 25.00 N ATOM 601 CA THR A 39 13.081 -7.389 -14.368 1.00 25.00 C ATOM 602 C THR A 39 13.348 -8.311 -13.175 1.00 25.00 C ATOM 603 O THR A 39 13.018 -7.935 -12.075 1.00 25.00 O ATOM 604 CB THR A 39 11.565 -7.417 -14.770 1.00 25.00 C ATOM 605 OG1 THR A 39 10.807 -6.737 -13.746 1.00 25.00 O ATOM 606 CG2 THR A 39 11.025 -8.834 -14.959 1.00 25.00 C ATOM 0 H THR A 39 13.338 -8.110 -16.320 1.00 25.00 H new ATOM 0 HA THR A 39 13.373 -6.394 -14.032 1.00 25.00 H new ATOM 0 HB THR A 39 11.464 -6.915 -15.733 1.00 25.00 H new ATOM 0 HG1 THR A 39 11.163 -5.833 -13.622 1.00 25.00 H new ATOM 0 HG21 THR A 39 9.972 -8.788 -15.236 1.00 25.00 H new ATOM 0 HG22 THR A 39 11.586 -9.335 -15.748 1.00 25.00 H new ATOM 0 HG23 THR A 39 11.131 -9.391 -14.028 1.00 25.00 H new ATOM 614 N GLN A 40 13.903 -9.498 -13.407 1.00 25.00 N ATOM 615 CA GLN A 40 14.075 -10.492 -12.327 1.00 25.00 C ATOM 616 C GLN A 40 15.583 -10.785 -12.041 1.00 25.00 C ATOM 617 O GLN A 40 15.911 -11.746 -11.355 1.00 25.00 O ATOM 618 CB GLN A 40 13.332 -11.763 -12.787 1.00 25.00 C ATOM 619 CG GLN A 40 12.811 -12.656 -11.657 1.00 25.00 C ATOM 620 CD GLN A 40 11.364 -12.360 -11.262 1.00 25.00 C ATOM 621 OE1 GLN A 40 11.040 -11.210 -11.010 1.00 25.00 O ATOM 622 NE2 GLN A 40 10.521 -13.349 -11.230 1.00 25.00 N ATOM 0 H GLN A 40 14.241 -9.802 -14.320 1.00 25.00 H new ATOM 0 HA GLN A 40 13.668 -10.116 -11.388 1.00 25.00 H new ATOM 0 HB2 GLN A 40 12.490 -11.467 -13.412 1.00 25.00 H new ATOM 0 HB3 GLN A 40 14.003 -12.351 -13.414 1.00 25.00 H new ATOM 0 HG2 GLN A 40 12.889 -13.699 -11.964 1.00 25.00 H new ATOM 0 HG3 GLN A 40 13.450 -12.532 -10.783 1.00 25.00 H new ATOM 0 HE21 GLN A 40 10.836 -14.295 -11.448 1.00 25.00 H new ATOM 0 HE22 GLN A 40 9.545 -13.180 -10.987 1.00 25.00 H new ATOM 631 N GLY A 41 16.456 -10.038 -12.667 1.00 25.00 N ATOM 632 CA GLY A 41 17.910 -10.300 -12.612 1.00 25.00 C ATOM 633 C GLY A 41 18.290 -11.305 -13.680 1.00 25.00 C ATOM 634 O GLY A 41 19.435 -11.434 -14.098 1.00 25.00 O ATOM 0 H GLY A 41 16.201 -9.229 -13.233 1.00 25.00 H new ATOM 0 HA2 GLY A 41 18.462 -9.372 -12.760 1.00 25.00 H new ATOM 0 HA3 GLY A 41 18.184 -10.680 -11.628 1.00 25.00 H new ATOM 638 N LEU A 42 17.273 -12.006 -14.157 1.00 25.00 N ATOM 639 CA LEU A 42 17.415 -12.975 -15.197 1.00 25.00 C ATOM 640 C LEU A 42 17.361 -12.185 -16.502 1.00 25.00 C ATOM 641 O LEU A 42 16.405 -11.495 -16.777 1.00 25.00 O ATOM 642 CB LEU A 42 16.278 -13.985 -15.165 1.00 25.00 C ATOM 643 CG LEU A 42 16.185 -14.950 -13.951 1.00 25.00 C ATOM 644 CD1 LEU A 42 14.844 -15.690 -14.009 1.00 25.00 C ATOM 645 CD2 LEU A 42 17.378 -15.958 -13.983 1.00 25.00 C ATOM 0 H LEU A 42 16.317 -11.905 -13.817 1.00 25.00 H new ATOM 0 HA LEU A 42 18.344 -13.535 -15.086 1.00 25.00 H new ATOM 0 HB2 LEU A 42 15.340 -13.432 -15.223 1.00 25.00 H new ATOM 0 HB3 LEU A 42 16.347 -14.592 -16.068 1.00 25.00 H new ATOM 0 HG LEU A 42 16.242 -14.387 -13.019 1.00 25.00 H new ATOM 0 HD11 LEU A 42 14.767 -16.371 -13.161 1.00 25.00 H new ATOM 0 HD12 LEU A 42 14.028 -14.968 -13.970 1.00 25.00 H new ATOM 0 HD13 LEU A 42 14.782 -16.258 -14.937 1.00 25.00 H new ATOM 0 HD21 LEU A 42 17.308 -16.632 -13.129 1.00 25.00 H new ATOM 0 HD22 LEU A 42 17.341 -16.536 -14.906 1.00 25.00 H new ATOM 0 HD23 LEU A 42 18.319 -15.410 -13.936 1.00 25.00 H new ATOM 657 N ASP A 43 18.431 -12.226 -17.255 1.00 25.00 N ATOM 658 CA ASP A 43 18.531 -11.440 -18.481 1.00 25.00 C ATOM 659 C ASP A 43 17.489 -11.980 -19.479 1.00 25.00 C ATOM 660 O ASP A 43 17.202 -13.190 -19.545 1.00 25.00 O ATOM 661 CB ASP A 43 19.949 -11.473 -19.066 1.00 25.00 C ATOM 662 CG ASP A 43 20.253 -12.825 -19.689 1.00 25.00 C ATOM 663 OD1 ASP A 43 20.178 -12.930 -20.919 1.00 25.00 O ATOM 664 OD2 ASP A 43 20.603 -13.774 -18.952 1.00 25.00 O ATOM 0 H ASP A 43 19.253 -12.794 -17.049 1.00 25.00 H new ATOM 0 HA ASP A 43 18.325 -10.392 -18.263 1.00 25.00 H new ATOM 0 HB2 ASP A 43 20.054 -10.691 -19.818 1.00 25.00 H new ATOM 0 HB3 ASP A 43 20.675 -11.260 -18.281 1.00 25.00 H new ATOM 669 N GLY A 44 16.895 -11.093 -20.263 1.00 25.00 N ATOM 670 CA GLY A 44 15.913 -11.507 -21.227 1.00 25.00 C ATOM 671 C GLY A 44 14.499 -11.673 -20.676 1.00 25.00 C ATOM 672 O GLY A 44 13.589 -11.950 -21.437 1.00 25.00 O ATOM 0 H GLY A 44 17.081 -10.090 -20.244 1.00 25.00 H new ATOM 0 HA2 GLY A 44 15.888 -10.776 -22.035 1.00 25.00 H new ATOM 0 HA3 GLY A 44 16.230 -12.454 -21.663 1.00 25.00 H new ATOM 676 N TRP A 45 14.311 -11.521 -19.382 1.00 25.00 N ATOM 677 CA TRP A 45 12.978 -11.601 -18.781 1.00 25.00 C ATOM 678 C TRP A 45 12.416 -10.208 -18.593 1.00 25.00 C ATOM 679 O TRP A 45 13.010 -9.362 -17.937 1.00 25.00 O ATOM 680 CB TRP A 45 12.979 -12.400 -17.477 1.00 25.00 C ATOM 681 CG TRP A 45 13.079 -13.903 -17.707 1.00 25.00 C ATOM 682 CD1 TRP A 45 14.208 -14.659 -17.955 1.00 25.00 C ATOM 683 CD2 TRP A 45 11.983 -14.830 -17.708 1.00 25.00 C ATOM 684 NE1 TRP A 45 13.872 -15.985 -18.051 1.00 25.00 N ATOM 685 CE2 TRP A 45 12.515 -16.125 -17.959 1.00 25.00 C ATOM 686 CE3 TRP A 45 10.592 -14.695 -17.558 1.00 25.00 C ATOM 687 CZ2 TRP A 45 11.705 -17.259 -18.086 1.00 25.00 C ATOM 688 CZ3 TRP A 45 9.776 -15.855 -17.627 1.00 25.00 C ATOM 689 CH2 TRP A 45 10.344 -17.116 -17.892 1.00 25.00 C ATOM 0 H TRP A 45 15.062 -11.340 -18.716 1.00 25.00 H new ATOM 0 HA TRP A 45 12.327 -12.147 -19.464 1.00 25.00 H new ATOM 0 HB2 TRP A 45 13.815 -12.075 -16.858 1.00 25.00 H new ATOM 0 HB3 TRP A 45 12.067 -12.182 -16.921 1.00 25.00 H new ATOM 0 HD1 TRP A 45 15.208 -14.264 -18.058 1.00 25.00 H new ATOM 0 HE1 TRP A 45 14.534 -16.751 -18.173 1.00 25.00 H new ATOM 0 HE3 TRP A 45 10.150 -13.723 -17.393 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 12.132 -18.221 -18.329 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 8.710 -15.769 -17.475 1.00 25.00 H new ATOM 0 HH2 TRP A 45 9.706 -17.986 -17.945 1.00 25.00 H new ATOM 700 N TRP A 46 11.320 -9.911 -19.282 1.00 25.00 N ATOM 701 CA TRP A 46 10.746 -8.575 -19.277 1.00 25.00 C ATOM 702 C TRP A 46 9.489 -8.596 -18.497 1.00 25.00 C ATOM 703 O TRP A 46 8.727 -9.532 -18.475 1.00 25.00 O ATOM 704 CB TRP A 46 10.447 -8.110 -20.721 1.00 25.00 C ATOM 705 CG TRP A 46 11.649 -8.121 -21.629 1.00 25.00 C ATOM 706 CD1 TRP A 46 12.959 -8.240 -21.271 1.00 25.00 C ATOM 707 CD2 TRP A 46 11.656 -8.083 -23.080 1.00 25.00 C ATOM 708 NE1 TRP A 46 13.774 -8.324 -22.333 1.00 25.00 N ATOM 709 CE2 TRP A 46 13.005 -8.273 -23.486 1.00 25.00 C ATOM 710 CE3 TRP A 46 10.651 -7.978 -24.067 1.00 25.00 C ATOM 711 CZ2 TRP A 46 13.397 -8.378 -24.814 1.00 25.00 C ATOM 712 CZ3 TRP A 46 11.028 -8.092 -25.445 1.00 25.00 C ATOM 713 CH2 TRP A 46 12.396 -8.309 -25.801 1.00 25.00 C ATOM 0 H TRP A 46 10.810 -10.584 -19.854 1.00 25.00 H new ATOM 0 HA TRP A 46 11.457 -7.882 -18.827 1.00 25.00 H new ATOM 0 HB2 TRP A 46 9.677 -8.753 -21.147 1.00 25.00 H new ATOM 0 HB3 TRP A 46 10.038 -7.100 -20.689 1.00 25.00 H new ATOM 0 HD1 TRP A 46 13.302 -8.264 -20.247 1.00 25.00 H new ATOM 0 HE1 TRP A 46 14.790 -8.411 -22.298 1.00 25.00 H new ATOM 0 HE3 TRP A 46 9.620 -7.815 -23.789 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 14.435 -8.508 -25.081 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 10.277 -8.014 -26.217 1.00 25.00 H new ATOM 0 HH2 TRP A 46 12.665 -8.421 -26.841 1.00 25.00 H new ATOM 724 N LEU A 47 9.221 -7.473 -17.874 1.00 25.00 N ATOM 725 CA LEU A 47 7.943 -7.266 -17.192 1.00 25.00 C ATOM 726 C LEU A 47 6.929 -6.707 -18.187 1.00 25.00 C ATOM 727 O LEU A 47 7.136 -5.634 -18.783 1.00 25.00 O ATOM 728 CB LEU A 47 8.098 -6.263 -16.049 1.00 25.00 C ATOM 729 CG LEU A 47 6.816 -6.007 -15.217 1.00 25.00 C ATOM 730 CD1 LEU A 47 6.325 -7.266 -14.486 1.00 25.00 C ATOM 731 CD2 LEU A 47 7.028 -4.920 -14.265 1.00 25.00 C ATOM 0 H LEU A 47 9.863 -6.683 -17.819 1.00 25.00 H new ATOM 0 HA LEU A 47 7.606 -8.222 -16.791 1.00 25.00 H new ATOM 0 HB2 LEU A 47 8.882 -6.618 -15.379 1.00 25.00 H new ATOM 0 HB3 LEU A 47 8.438 -5.314 -16.463 1.00 25.00 H new ATOM 0 HG LEU A 47 6.036 -5.720 -15.923 1.00 25.00 H new ATOM 0 HD11 LEU A 47 5.425 -7.030 -13.919 1.00 25.00 H new ATOM 0 HD12 LEU A 47 6.101 -8.045 -15.214 1.00 25.00 H new ATOM 0 HD13 LEU A 47 7.101 -7.617 -13.806 1.00 25.00 H new ATOM 0 HD21 LEU A 47 6.116 -4.756 -13.691 1.00 25.00 H new ATOM 0 HD22 LEU A 47 7.841 -5.183 -13.588 1.00 25.00 H new ATOM 0 HD23 LEU A 47 7.286 -4.009 -14.805 1.00 25.00 H new ATOM 743 N CYS A 48 5.857 -7.465 -18.417 1.00 25.00 N ATOM 744 CA CYS A 48 4.802 -7.053 -19.356 1.00 25.00 C ATOM 745 C CYS A 48 3.436 -6.949 -18.690 1.00 25.00 C ATOM 746 O CYS A 48 3.215 -7.551 -17.659 1.00 25.00 O ATOM 747 CB CYS A 48 4.721 -8.034 -20.511 1.00 25.00 C ATOM 748 SG CYS A 48 6.334 -8.247 -21.291 1.00 25.00 S ATOM 0 H CYS A 48 5.692 -8.367 -17.969 1.00 25.00 H new ATOM 0 HA CYS A 48 5.071 -6.061 -19.719 1.00 25.00 H new ATOM 0 HB2 CYS A 48 4.357 -8.996 -20.151 1.00 25.00 H new ATOM 0 HB3 CYS A 48 4.001 -7.676 -21.247 1.00 25.00 H new ATOM 0 HG CYS A 48 6.174 -8.526 -22.551 1.00 25.00 H new ATOM 754 N SER A 49 2.516 -6.261 -19.348 1.00 25.00 N ATOM 755 CA SER A 49 1.148 -6.158 -18.884 1.00 25.00 C ATOM 756 C SER A 49 0.195 -6.685 -19.942 1.00 25.00 C ATOM 757 O SER A 49 0.351 -6.316 -21.117 1.00 25.00 O ATOM 758 CB SER A 49 0.828 -4.682 -18.536 1.00 25.00 C ATOM 759 OG SER A 49 -0.492 -4.512 -18.087 1.00 25.00 O ATOM 0 H SER A 49 2.700 -5.760 -20.217 1.00 25.00 H new ATOM 0 HA SER A 49 1.023 -6.763 -17.986 1.00 25.00 H new ATOM 0 HB2 SER A 49 1.518 -4.335 -17.767 1.00 25.00 H new ATOM 0 HB3 SER A 49 0.993 -4.060 -19.416 1.00 25.00 H new ATOM 0 HG SER A 49 -0.647 -3.567 -17.878 1.00 25.00 H new ATOM 765 N LEU A 50 -0.732 -7.544 -19.575 1.00 25.00 N ATOM 766 CA LEU A 50 -1.655 -8.191 -20.518 1.00 25.00 C ATOM 767 C LEU A 50 -2.853 -8.745 -19.788 1.00 25.00 C ATOM 768 O LEU A 50 -2.684 -9.217 -18.719 1.00 25.00 O ATOM 769 CB LEU A 50 -0.917 -9.392 -21.150 1.00 25.00 C ATOM 770 CG LEU A 50 -1.733 -10.238 -22.137 1.00 25.00 C ATOM 771 CD1 LEU A 50 -1.990 -9.410 -23.442 1.00 25.00 C ATOM 772 CD2 LEU A 50 -1.057 -11.504 -22.454 1.00 25.00 C ATOM 0 H LEU A 50 -0.878 -7.824 -18.605 1.00 25.00 H new ATOM 0 HA LEU A 50 -1.978 -7.461 -21.260 1.00 25.00 H new ATOM 0 HB2 LEU A 50 -0.033 -9.019 -21.666 1.00 25.00 H new ATOM 0 HB3 LEU A 50 -0.567 -10.042 -20.348 1.00 25.00 H new ATOM 0 HG LEU A 50 -2.685 -10.489 -21.670 1.00 25.00 H new ATOM 0 HD11 LEU A 50 -2.569 -10.009 -24.145 1.00 25.00 H new ATOM 0 HD12 LEU A 50 -2.543 -8.504 -23.195 1.00 25.00 H new ATOM 0 HD13 LEU A 50 -1.036 -9.140 -23.896 1.00 25.00 H new ATOM 0 HD21 LEU A 50 -1.665 -12.075 -23.155 1.00 25.00 H new ATOM 0 HD22 LEU A 50 -0.085 -11.295 -22.902 1.00 25.00 H new ATOM 0 HD23 LEU A 50 -0.918 -12.081 -21.540 1.00 25.00 H new ATOM 784 N HIS A 51 -4.039 -8.673 -20.381 1.00 25.00 N ATOM 785 CA HIS A 51 -5.256 -9.202 -19.775 1.00 25.00 C ATOM 786 C HIS A 51 -5.534 -8.662 -18.351 1.00 25.00 C ATOM 787 O HIS A 51 -6.121 -9.348 -17.523 1.00 25.00 O ATOM 788 CB HIS A 51 -5.186 -10.748 -19.772 1.00 25.00 C ATOM 789 CG HIS A 51 -6.507 -11.411 -20.058 1.00 25.00 C ATOM 790 ND1 HIS A 51 -7.085 -11.432 -21.299 1.00 25.00 N ATOM 791 CD2 HIS A 51 -7.358 -12.100 -19.247 1.00 25.00 C ATOM 792 CE1 HIS A 51 -8.232 -12.114 -21.212 1.00 25.00 C ATOM 793 NE2 HIS A 51 -8.462 -12.524 -19.975 1.00 25.00 N ATOM 0 H HIS A 51 -4.184 -8.246 -21.296 1.00 25.00 H new ATOM 0 HA HIS A 51 -6.094 -8.858 -20.381 1.00 25.00 H new ATOM 0 HB2 HIS A 51 -4.458 -11.072 -20.515 1.00 25.00 H new ATOM 0 HB3 HIS A 51 -4.822 -11.085 -18.801 1.00 25.00 H new ATOM 0 HD2 HIS A 51 -7.198 -12.288 -18.196 1.00 25.00 H new ATOM 0 HE1 HIS A 51 -8.889 -12.306 -22.047 1.00 25.00 H new ATOM 0 HE2 HIS A 51 -9.273 -13.039 -19.631 1.00 25.00 H new ATOM 801 N GLY A 52 -5.090 -7.445 -18.090 1.00 25.00 N ATOM 802 CA GLY A 52 -5.382 -6.821 -16.829 1.00 25.00 C ATOM 803 C GLY A 52 -4.454 -7.193 -15.678 1.00 25.00 C ATOM 804 O GLY A 52 -4.707 -6.828 -14.536 1.00 25.00 O ATOM 0 H GLY A 52 -4.533 -6.881 -18.732 1.00 25.00 H new ATOM 0 HA2 GLY A 52 -5.349 -5.740 -16.963 1.00 25.00 H new ATOM 0 HA3 GLY A 52 -6.403 -7.076 -16.546 1.00 25.00 H new ATOM 808 N ARG A 53 -3.408 -7.929 -16.009 1.00 25.00 N ATOM 809 CA ARG A 53 -2.358 -8.290 -15.041 1.00 25.00 C ATOM 810 C ARG A 53 -1.031 -7.814 -15.609 1.00 25.00 C ATOM 811 O ARG A 53 -0.874 -7.645 -16.795 1.00 25.00 O ATOM 812 CB ARG A 53 -2.258 -9.821 -14.848 1.00 25.00 C ATOM 813 CG ARG A 53 -3.538 -10.575 -14.595 1.00 25.00 C ATOM 814 CD ARG A 53 -3.186 -12.036 -14.268 1.00 25.00 C ATOM 815 NE ARG A 53 -4.376 -12.871 -14.146 1.00 25.00 N ATOM 816 CZ ARG A 53 -4.396 -14.077 -13.585 1.00 25.00 C ATOM 817 NH1 ARG A 53 -3.320 -14.670 -13.071 1.00 25.00 N ATOM 818 NH2 ARG A 53 -5.521 -14.732 -13.536 1.00 25.00 N ATOM 0 H ARG A 53 -3.252 -8.297 -16.947 1.00 25.00 H new ATOM 0 HA ARG A 53 -2.596 -7.832 -14.081 1.00 25.00 H new ATOM 0 HB2 ARG A 53 -1.790 -10.242 -15.737 1.00 25.00 H new ATOM 0 HB3 ARG A 53 -1.585 -10.012 -14.012 1.00 25.00 H new ATOM 0 HG2 ARG A 53 -4.087 -10.123 -13.769 1.00 25.00 H new ATOM 0 HG3 ARG A 53 -4.185 -10.528 -15.471 1.00 25.00 H new ATOM 0 HD2 ARG A 53 -2.540 -12.437 -15.049 1.00 25.00 H new ATOM 0 HD3 ARG A 53 -2.620 -12.073 -13.337 1.00 25.00 H new ATOM 0 HE ARG A 53 -5.253 -12.505 -14.516 1.00 25.00 H new ATOM 0 HH11 ARG A 53 -2.417 -14.197 -13.095 1.00 25.00 H new ATOM 0 HH12 ARG A 53 -3.399 -15.597 -12.654 1.00 25.00 H new ATOM 0 HH21 ARG A 53 -6.369 -14.319 -13.924 1.00 25.00 H new ATOM 0 HH22 ARG A 53 -5.554 -15.658 -13.109 1.00 25.00 H new ATOM 832 N GLN A 54 -0.008 -7.767 -14.748 1.00 25.00 N ATOM 833 CA GLN A 54 1.398 -7.612 -15.163 1.00 25.00 C ATOM 834 C GLN A 54 2.140 -8.801 -14.531 1.00 25.00 C ATOM 835 O GLN A 54 1.780 -9.318 -13.448 1.00 25.00 O ATOM 836 CB GLN A 54 1.958 -6.220 -14.748 1.00 25.00 C ATOM 837 CG GLN A 54 2.247 -5.984 -13.255 1.00 25.00 C ATOM 838 CD GLN A 54 2.488 -4.510 -12.901 1.00 25.00 C ATOM 839 OE1 GLN A 54 1.760 -3.608 -13.343 1.00 25.00 O ATOM 840 NE2 GLN A 54 3.500 -4.260 -12.107 1.00 25.00 N ATOM 0 H GLN A 54 -0.129 -7.835 -13.738 1.00 25.00 H new ATOM 0 HA GLN A 54 1.524 -7.630 -16.246 1.00 25.00 H new ATOM 0 HB2 GLN A 54 2.883 -6.052 -15.300 1.00 25.00 H new ATOM 0 HB3 GLN A 54 1.248 -5.461 -15.077 1.00 25.00 H new ATOM 0 HG2 GLN A 54 1.408 -6.358 -12.668 1.00 25.00 H new ATOM 0 HG3 GLN A 54 3.122 -6.566 -12.967 1.00 25.00 H new ATOM 0 HE21 GLN A 54 4.079 -5.026 -11.762 1.00 25.00 H new ATOM 0 HE22 GLN A 54 3.709 -3.300 -11.834 1.00 25.00 H new ATOM 849 N GLY A 55 3.196 -9.201 -15.220 1.00 25.00 N ATOM 850 CA GLY A 55 4.005 -10.340 -14.786 1.00 25.00 C ATOM 851 C GLY A 55 5.157 -10.491 -15.728 1.00 25.00 C ATOM 852 O GLY A 55 5.241 -9.771 -16.786 1.00 25.00 O ATOM 0 H GLY A 55 3.517 -8.758 -16.081 1.00 25.00 H new ATOM 0 HA2 GLY A 55 4.365 -10.183 -13.769 1.00 25.00 H new ATOM 0 HA3 GLY A 55 3.404 -11.249 -14.774 1.00 25.00 H new ATOM 856 N ILE A 56 6.033 -11.422 -15.397 1.00 25.00 N ATOM 857 CA ILE A 56 7.258 -11.734 -16.179 1.00 25.00 C ATOM 858 C ILE A 56 6.955 -12.590 -17.397 1.00 25.00 C ATOM 859 O ILE A 56 6.099 -13.449 -17.445 1.00 25.00 O ATOM 860 CB ILE A 56 8.366 -12.390 -15.290 1.00 25.00 C ATOM 861 CG1 ILE A 56 8.030 -13.860 -14.936 1.00 25.00 C ATOM 862 CG2 ILE A 56 8.565 -11.550 -13.979 1.00 25.00 C ATOM 863 CD1 ILE A 56 9.108 -14.621 -14.161 1.00 25.00 C ATOM 0 H ILE A 56 5.929 -12.004 -14.566 1.00 25.00 H new ATOM 0 HA ILE A 56 7.647 -10.782 -16.540 1.00 25.00 H new ATOM 0 HB ILE A 56 9.292 -12.396 -15.865 1.00 25.00 H new ATOM 0 HG12 ILE A 56 7.111 -13.872 -14.350 1.00 25.00 H new ATOM 0 HG13 ILE A 56 7.825 -14.399 -15.861 1.00 25.00 H new ATOM 0 HG21 ILE A 56 9.338 -12.012 -13.365 1.00 25.00 H new ATOM 0 HG22 ILE A 56 8.867 -10.535 -14.239 1.00 25.00 H new ATOM 0 HG23 ILE A 56 7.629 -11.518 -13.422 1.00 25.00 H new ATOM 0 HD11 ILE A 56 8.767 -15.638 -13.967 1.00 25.00 H new ATOM 0 HD12 ILE A 56 10.025 -14.651 -14.749 1.00 25.00 H new ATOM 0 HD13 ILE A 56 9.300 -14.116 -13.214 1.00 25.00 H new ATOM 875 N VAL A 57 7.649 -12.239 -18.472 1.00 25.00 N ATOM 876 CA VAL A 57 7.512 -12.906 -19.800 1.00 25.00 C ATOM 877 C VAL A 57 8.962 -13.095 -20.379 1.00 25.00 C ATOM 878 O VAL A 57 9.772 -12.138 -20.362 1.00 25.00 O ATOM 879 CB VAL A 57 6.686 -11.984 -20.770 1.00 25.00 C ATOM 880 CG1 VAL A 57 6.601 -12.571 -22.180 1.00 25.00 C ATOM 881 CG2 VAL A 57 5.270 -11.721 -20.217 1.00 25.00 C ATOM 0 H VAL A 57 8.332 -11.481 -18.467 1.00 25.00 H new ATOM 0 HA VAL A 57 7.000 -13.863 -19.700 1.00 25.00 H new ATOM 0 HB VAL A 57 7.218 -11.035 -20.833 1.00 25.00 H new ATOM 0 HG11 VAL A 57 6.022 -11.903 -22.818 1.00 25.00 H new ATOM 0 HG12 VAL A 57 7.605 -12.683 -22.589 1.00 25.00 H new ATOM 0 HG13 VAL A 57 6.115 -13.546 -22.140 1.00 25.00 H new ATOM 0 HG21 VAL A 57 4.722 -11.081 -20.909 1.00 25.00 H new ATOM 0 HG22 VAL A 57 4.742 -12.668 -20.103 1.00 25.00 H new ATOM 0 HG23 VAL A 57 5.344 -11.228 -19.248 1.00 25.00 H new ATOM 891 N PRO A 58 9.286 -14.297 -20.899 1.00 25.00 N ATOM 892 CA PRO A 58 10.600 -14.332 -21.570 1.00 25.00 C ATOM 893 C PRO A 58 10.622 -13.538 -22.913 1.00 25.00 C ATOM 894 O PRO A 58 9.902 -13.859 -23.850 1.00 25.00 O ATOM 895 CB PRO A 58 10.836 -15.811 -21.827 1.00 25.00 C ATOM 896 CG PRO A 58 9.478 -16.435 -21.881 1.00 25.00 C ATOM 897 CD PRO A 58 8.607 -15.616 -20.991 1.00 25.00 C ATOM 0 HA PRO A 58 11.369 -13.862 -20.957 1.00 25.00 H new ATOM 0 HB2 PRO A 58 11.375 -15.965 -22.762 1.00 25.00 H new ATOM 0 HB3 PRO A 58 11.439 -16.255 -21.035 1.00 25.00 H new ATOM 0 HG2 PRO A 58 9.094 -16.443 -22.901 1.00 25.00 H new ATOM 0 HG3 PRO A 58 9.512 -17.471 -21.545 1.00 25.00 H new ATOM 0 HD2 PRO A 58 7.603 -15.516 -21.404 1.00 25.00 H new ATOM 0 HD3 PRO A 58 8.503 -16.076 -20.008 1.00 25.00 H new ATOM 905 N GLY A 59 11.453 -12.538 -22.975 1.00 25.00 N ATOM 906 CA GLY A 59 11.572 -11.686 -24.124 1.00 25.00 C ATOM 907 C GLY A 59 12.056 -12.374 -25.385 1.00 25.00 C ATOM 908 O GLY A 59 11.781 -11.940 -26.478 1.00 25.00 O ATOM 0 H GLY A 59 12.081 -12.286 -22.212 1.00 25.00 H new ATOM 0 HA2 GLY A 59 10.600 -11.234 -24.325 1.00 25.00 H new ATOM 0 HA3 GLY A 59 12.258 -10.873 -23.885 1.00 25.00 H new ATOM 912 N ASN A 60 12.721 -13.498 -25.200 1.00 25.00 N ATOM 913 CA ASN A 60 13.137 -14.372 -26.306 1.00 25.00 C ATOM 914 C ASN A 60 11.926 -14.809 -27.168 1.00 25.00 C ATOM 915 O ASN A 60 12.031 -14.959 -28.404 1.00 25.00 O ATOM 916 CB ASN A 60 13.823 -15.575 -25.702 1.00 25.00 C ATOM 917 CG ASN A 60 14.280 -16.498 -26.770 1.00 25.00 C ATOM 918 OD1 ASN A 60 14.988 -16.091 -27.660 1.00 25.00 O ATOM 919 ND2 ASN A 60 13.827 -17.718 -26.733 1.00 25.00 N ATOM 0 H ASN A 60 12.994 -13.841 -24.279 1.00 25.00 H new ATOM 0 HA ASN A 60 13.816 -13.834 -26.968 1.00 25.00 H new ATOM 0 HB2 ASN A 60 14.674 -15.253 -25.101 1.00 25.00 H new ATOM 0 HB3 ASN A 60 13.138 -16.094 -25.032 1.00 25.00 H new ATOM 0 HD21 ASN A 60 14.068 -18.374 -27.476 1.00 25.00 H new ATOM 0 HD22 ASN A 60 13.232 -18.018 -25.961 1.00 25.00 H new ATOM 926 N ARG A 61 10.774 -14.952 -26.494 1.00 25.00 N ATOM 927 CA ARG A 61 9.510 -15.350 -27.137 1.00 25.00 C ATOM 928 C ARG A 61 8.652 -14.170 -27.597 1.00 25.00 C ATOM 929 O ARG A 61 7.518 -14.347 -28.092 1.00 25.00 O ATOM 930 CB ARG A 61 8.738 -16.251 -26.165 1.00 25.00 C ATOM 931 CG ARG A 61 9.432 -17.511 -25.859 1.00 25.00 C ATOM 932 CD ARG A 61 8.510 -18.588 -25.170 1.00 25.00 C ATOM 933 NE ARG A 61 9.350 -19.717 -24.722 1.00 25.00 N ATOM 934 CZ ARG A 61 9.720 -20.762 -25.476 1.00 25.00 C ATOM 935 NH1 ARG A 61 9.393 -20.845 -26.755 1.00 25.00 N ATOM 936 NH2 ARG A 61 10.453 -21.698 -24.962 1.00 25.00 N ATOM 0 H ARG A 61 10.692 -14.795 -25.489 1.00 25.00 H new ATOM 0 HA ARG A 61 9.755 -15.890 -28.052 1.00 25.00 H new ATOM 0 HB2 ARG A 61 8.564 -15.706 -25.237 1.00 25.00 H new ATOM 0 HB3 ARG A 61 7.760 -16.477 -26.590 1.00 25.00 H new ATOM 0 HG2 ARG A 61 9.835 -17.927 -26.782 1.00 25.00 H new ATOM 0 HG3 ARG A 61 10.280 -17.300 -25.207 1.00 25.00 H new ATOM 0 HD2 ARG A 61 7.985 -18.148 -24.322 1.00 25.00 H new ATOM 0 HD3 ARG A 61 7.750 -18.937 -25.869 1.00 25.00 H new ATOM 0 HE ARG A 61 9.677 -19.700 -23.756 1.00 25.00 H new ATOM 0 HH11 ARG A 61 8.846 -20.102 -27.191 1.00 25.00 H new ATOM 0 HH12 ARG A 61 9.688 -21.652 -27.305 1.00 25.00 H new ATOM 0 HH21 ARG A 61 10.747 -21.638 -23.987 1.00 25.00 H new ATOM 0 HH22 ARG A 61 10.737 -22.495 -25.532 1.00 25.00 H new ATOM 950 N LEU A 62 9.181 -12.976 -27.463 1.00 25.00 N ATOM 951 CA LEU A 62 8.509 -11.752 -27.907 1.00 25.00 C ATOM 952 C LEU A 62 9.179 -11.099 -29.134 1.00 25.00 C ATOM 953 O LEU A 62 10.392 -11.185 -29.351 1.00 25.00 O ATOM 954 CB LEU A 62 8.445 -10.698 -26.805 1.00 25.00 C ATOM 955 CG LEU A 62 7.653 -11.104 -25.556 1.00 25.00 C ATOM 956 CD1 LEU A 62 7.722 -9.955 -24.624 1.00 25.00 C ATOM 957 CD2 LEU A 62 6.161 -11.418 -25.910 1.00 25.00 C ATOM 0 H LEU A 62 10.095 -12.813 -27.041 1.00 25.00 H new ATOM 0 HA LEU A 62 7.506 -12.080 -28.178 1.00 25.00 H new ATOM 0 HB2 LEU A 62 9.462 -10.448 -26.505 1.00 25.00 H new ATOM 0 HB3 LEU A 62 8.002 -9.791 -27.217 1.00 25.00 H new ATOM 0 HG LEU A 62 8.073 -12.007 -25.114 1.00 25.00 H new ATOM 0 HD11 LEU A 62 7.172 -10.192 -23.713 1.00 25.00 H new ATOM 0 HD12 LEU A 62 8.763 -9.750 -24.376 1.00 25.00 H new ATOM 0 HD13 LEU A 62 7.282 -9.077 -25.096 1.00 25.00 H new ATOM 0 HD21 LEU A 62 5.625 -11.703 -25.005 1.00 25.00 H new ATOM 0 HD22 LEU A 62 5.696 -10.533 -26.344 1.00 25.00 H new ATOM 0 HD23 LEU A 62 6.122 -12.237 -26.628 1.00 25.00 H new ATOM 969 N LYS A 63 8.390 -10.326 -29.868 1.00 25.00 N ATOM 970 CA LYS A 63 8.896 -9.528 -30.999 1.00 25.00 C ATOM 971 C LYS A 63 8.497 -8.107 -30.795 1.00 25.00 C ATOM 972 O LYS A 63 7.331 -7.786 -30.770 1.00 25.00 O ATOM 973 CB LYS A 63 8.274 -10.019 -32.352 1.00 25.00 C ATOM 974 CG LYS A 63 8.761 -9.225 -33.614 1.00 25.00 C ATOM 975 CD LYS A 63 8.100 -9.712 -34.939 1.00 25.00 C ATOM 976 CE LYS A 63 8.716 -8.934 -36.143 1.00 25.00 C ATOM 977 NZ LYS A 63 7.942 -9.277 -37.501 1.00 25.00 N ATOM 0 H LYS A 63 7.388 -10.228 -29.706 1.00 25.00 H new ATOM 0 HA LYS A 63 9.980 -9.635 -31.044 1.00 25.00 H new ATOM 0 HB2 LYS A 63 8.514 -11.074 -32.487 1.00 25.00 H new ATOM 0 HB3 LYS A 63 7.188 -9.944 -32.287 1.00 25.00 H new ATOM 0 HG2 LYS A 63 8.544 -8.166 -33.475 1.00 25.00 H new ATOM 0 HG3 LYS A 63 9.844 -9.320 -33.699 1.00 25.00 H new ATOM 0 HD2 LYS A 63 8.258 -10.783 -35.065 1.00 25.00 H new ATOM 0 HD3 LYS A 63 7.023 -9.551 -34.901 1.00 25.00 H new ATOM 0 HE2 LYS A 63 8.666 -7.862 -35.952 1.00 25.00 H new ATOM 0 HE3 LYS A 63 9.770 -9.191 -36.246 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 8.370 -8.748 -38.288 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 8.011 -10.297 -37.692 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 6.941 -9.009 -37.407 1.00 25.00 H new ATOM 991 N ILE A 64 9.477 -7.250 -30.615 1.00 25.00 N ATOM 992 CA ILE A 64 9.231 -5.804 -30.475 1.00 25.00 C ATOM 993 C ILE A 64 8.564 -5.222 -31.737 1.00 25.00 C ATOM 994 O ILE A 64 9.045 -5.430 -32.879 1.00 25.00 O ATOM 995 CB ILE A 64 10.592 -5.071 -30.236 1.00 25.00 C ATOM 996 CG1 ILE A 64 11.244 -5.530 -28.921 1.00 25.00 C ATOM 997 CG2 ILE A 64 10.362 -3.518 -30.149 1.00 25.00 C ATOM 998 CD1 ILE A 64 10.336 -5.364 -27.653 1.00 25.00 C ATOM 0 H ILE A 64 10.460 -7.516 -30.560 1.00 25.00 H new ATOM 0 HA ILE A 64 8.560 -5.654 -29.630 1.00 25.00 H new ATOM 0 HB ILE A 64 11.246 -5.315 -31.073 1.00 25.00 H new ATOM 0 HG12 ILE A 64 11.525 -6.579 -29.016 1.00 25.00 H new ATOM 0 HG13 ILE A 64 12.164 -4.966 -28.770 1.00 25.00 H new ATOM 0 HG21 ILE A 64 11.316 -3.018 -29.982 1.00 25.00 H new ATOM 0 HG22 ILE A 64 9.924 -3.162 -31.081 1.00 25.00 H new ATOM 0 HG23 ILE A 64 9.687 -3.296 -29.323 1.00 25.00 H new ATOM 0 HD11 ILE A 64 10.875 -5.712 -26.772 1.00 25.00 H new ATOM 0 HD12 ILE A 64 10.075 -4.313 -27.527 1.00 25.00 H new ATOM 0 HD13 ILE A 64 9.426 -5.951 -27.778 1.00 25.00 H new