USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 744 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 40 THR OG1 : rot 94:sc= 2.17 USER MOD Set 1.2: A 67 THR OG1 : rot -81:sc= 0.826 USER MOD Set 2.1: A 52 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 58 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 51 THR OG1 : rot 164:sc= 0.252 USER MOD Set 3.2: A 57 LYS NZ :NH3+ -112:sc= 0.261 (180deg=-0.601) USER MOD Set 4.1: A 26 LYS NZ :NH3+ 178:sc= 1.9 (180deg=0.849) USER MOD Set 4.2: A 29 SER OG : rot 180:sc= 0.546 USER MOD Single : A 4 LYS NZ :NH3+ -152:sc= 0.572 (180deg=-1.08!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0279 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot -95:sc= 0.997 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.11 X(o=-0.11,f=-0.36) USER MOD Single : A 41 CYS SG : rot -130:sc= -0.0831 USER MOD Single : A 42 TYR OH : rot 180:sc= -0.0119 USER MOD Single : A 47 LYS NZ :NH3+ -169:sc= -0.0991 (180deg=-0.306) USER MOD Single : A 56 LYS NZ :NH3+ 156:sc= 1.06 (180deg=0.571) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 CYS SG : rot 72:sc= -0.0182 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -144:sc= 1.1 (180deg=0.149) USER MOD Single : A 85 HIS : no HD1:sc= -0.196 K(o=-0.2,f=-0.91) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.126 K(o=-0.13,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 33 N VAL A 3 -4.762 8.795 -3.924 1.00 0.00 N ATOM 34 CA VAL A 3 -3.652 7.895 -3.683 1.00 0.00 C ATOM 35 C VAL A 3 -2.588 8.180 -4.747 1.00 0.00 C ATOM 36 O VAL A 3 -2.915 8.441 -5.910 1.00 0.00 O ATOM 37 CB VAL A 3 -4.160 6.439 -3.765 1.00 0.00 C ATOM 38 CG1 VAL A 3 -3.134 5.492 -3.144 1.00 0.00 C ATOM 39 CG2 VAL A 3 -5.505 6.214 -3.049 1.00 0.00 C ATOM 0 HA VAL A 3 -3.219 8.042 -2.694 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.306 6.236 -4.826 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.500 4.467 -3.206 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.190 5.573 -3.684 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.978 5.759 -2.099 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.800 5.169 -3.148 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.401 6.463 -1.993 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.267 6.850 -3.499 1.00 0.00 H new ATOM 49 N LYS A 4 -1.313 8.127 -4.368 1.00 0.00 N ATOM 50 CA LYS A 4 -0.198 8.272 -5.298 1.00 0.00 C ATOM 51 C LYS A 4 0.348 6.866 -5.496 1.00 0.00 C ATOM 52 O LYS A 4 0.787 6.263 -4.517 1.00 0.00 O ATOM 53 CB LYS A 4 0.812 9.274 -4.713 1.00 0.00 C ATOM 54 CG LYS A 4 1.525 10.156 -5.753 1.00 0.00 C ATOM 55 CD LYS A 4 2.813 9.559 -6.339 1.00 0.00 C ATOM 56 CE LYS A 4 3.747 10.704 -6.772 1.00 0.00 C ATOM 57 NZ LYS A 4 5.136 10.239 -6.941 1.00 0.00 N ATOM 0 H LYS A 4 -1.024 7.981 -3.401 1.00 0.00 H new ATOM 0 HA LYS A 4 -0.473 8.680 -6.271 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.293 9.920 -4.005 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.564 8.722 -4.149 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.833 10.360 -6.570 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.764 11.114 -5.292 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.307 8.930 -5.598 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.578 8.922 -7.192 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.389 11.131 -7.709 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.717 11.499 -6.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.790 11.027 -6.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 5.329 9.469 -6.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.270 9.892 -7.912 1.00 0.00 H new ATOM 71 N ILE A 5 0.238 6.331 -6.711 1.00 0.00 N ATOM 72 CA ILE A 5 0.636 4.966 -7.061 1.00 0.00 C ATOM 73 C ILE A 5 1.463 5.023 -8.334 1.00 0.00 C ATOM 74 O ILE A 5 1.035 5.638 -9.315 1.00 0.00 O ATOM 75 CB ILE A 5 -0.558 3.995 -7.223 1.00 0.00 C ATOM 76 CG1 ILE A 5 -1.447 4.050 -5.965 1.00 0.00 C ATOM 77 CG2 ILE A 5 -0.041 2.561 -7.486 1.00 0.00 C ATOM 78 CD1 ILE A 5 -2.500 2.947 -5.877 1.00 0.00 C ATOM 0 H ILE A 5 -0.142 6.850 -7.503 1.00 0.00 H new ATOM 0 HA ILE A 5 1.222 4.564 -6.235 1.00 0.00 H new ATOM 0 HB ILE A 5 -1.161 4.296 -8.079 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.809 3.995 -5.083 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.950 5.017 -5.934 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.888 1.884 -7.599 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.556 2.551 -8.398 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.574 2.236 -6.647 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.077 3.067 -4.960 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.167 3.012 -6.736 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.008 1.974 -5.872 1.00 0.00 H new ATOM 90 N GLU A 6 2.627 4.387 -8.324 1.00 0.00 N ATOM 91 CA GLU A 6 3.547 4.340 -9.449 1.00 0.00 C ATOM 92 C GLU A 6 4.543 3.199 -9.258 1.00 0.00 C ATOM 93 O GLU A 6 4.620 2.621 -8.173 1.00 0.00 O ATOM 94 CB GLU A 6 4.261 5.686 -9.612 1.00 0.00 C ATOM 95 CG GLU A 6 4.817 6.215 -8.290 1.00 0.00 C ATOM 96 CD GLU A 6 5.541 7.541 -8.466 1.00 0.00 C ATOM 97 OE1 GLU A 6 4.991 8.473 -9.099 1.00 0.00 O ATOM 98 OE2 GLU A 6 6.668 7.704 -7.946 1.00 0.00 O ATOM 0 H GLU A 6 2.965 3.875 -7.509 1.00 0.00 H new ATOM 0 HA GLU A 6 2.986 4.151 -10.364 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.076 5.578 -10.328 1.00 0.00 H new ATOM 0 HB3 GLU A 6 3.566 6.415 -10.028 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.001 6.339 -7.578 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.502 5.481 -7.865 1.00 0.00 H new ATOM 105 N LYS A 7 5.348 2.897 -10.280 1.00 0.00 N ATOM 106 CA LYS A 7 6.401 1.887 -10.206 1.00 0.00 C ATOM 107 C LYS A 7 7.777 2.561 -10.173 1.00 0.00 C ATOM 108 O LYS A 7 8.367 2.777 -11.232 1.00 0.00 O ATOM 109 CB LYS A 7 6.303 0.845 -11.324 1.00 0.00 C ATOM 110 CG LYS A 7 5.024 -0.004 -11.313 1.00 0.00 C ATOM 111 CD LYS A 7 3.843 0.665 -12.026 1.00 0.00 C ATOM 112 CE LYS A 7 2.833 -0.353 -12.561 1.00 0.00 C ATOM 113 NZ LYS A 7 3.217 -0.908 -13.873 1.00 0.00 N ATOM 0 H LYS A 7 5.284 3.353 -11.190 1.00 0.00 H new ATOM 0 HA LYS A 7 6.263 1.335 -9.276 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.372 1.357 -12.284 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.163 0.179 -11.255 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.229 -0.963 -11.788 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.744 -0.213 -10.280 1.00 0.00 H new ATOM 0 HD2 LYS A 7 3.341 1.342 -11.335 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.216 1.271 -12.852 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.731 -1.167 -11.844 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.856 0.122 -12.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.497 -1.591 -14.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.289 -0.138 -14.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.136 -1.387 -13.792 1.00 0.00 H new ATOM 127 N PRO A 8 8.282 2.962 -8.996 1.00 0.00 N ATOM 128 CA PRO A 8 9.560 3.656 -8.888 1.00 0.00 C ATOM 129 C PRO A 8 10.741 2.771 -9.300 1.00 0.00 C ATOM 130 O PRO A 8 10.654 1.536 -9.290 1.00 0.00 O ATOM 131 CB PRO A 8 9.662 4.072 -7.418 1.00 0.00 C ATOM 132 CG PRO A 8 8.771 3.074 -6.684 1.00 0.00 C ATOM 133 CD PRO A 8 7.678 2.764 -7.688 1.00 0.00 C ATOM 0 HA PRO A 8 9.603 4.511 -9.563 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.691 4.025 -7.061 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.320 5.096 -7.269 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.322 2.177 -6.402 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.364 3.500 -5.767 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.318 1.742 -7.573 1.00 0.00 H new ATOM 0 HD3 PRO A 8 6.820 3.421 -7.549 1.00 0.00 H new ATOM 141 N THR A 9 11.883 3.406 -9.574 1.00 0.00 N ATOM 142 CA THR A 9 13.161 2.725 -9.756 1.00 0.00 C ATOM 143 C THR A 9 13.498 1.924 -8.487 1.00 0.00 C ATOM 144 O THR A 9 13.234 2.417 -7.386 1.00 0.00 O ATOM 145 CB THR A 9 14.254 3.748 -10.104 1.00 0.00 C ATOM 146 OG1 THR A 9 15.455 3.077 -10.404 1.00 0.00 O ATOM 147 CG2 THR A 9 14.529 4.734 -8.974 1.00 0.00 C ATOM 0 H THR A 9 11.944 4.419 -9.676 1.00 0.00 H new ATOM 0 HA THR A 9 13.098 2.023 -10.587 1.00 0.00 H new ATOM 0 HB THR A 9 13.888 4.311 -10.962 1.00 0.00 H new ATOM 0 HG1 THR A 9 16.149 3.732 -10.627 1.00 0.00 H new ATOM 0 HG21 THR A 9 15.310 5.430 -9.280 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.619 5.288 -8.745 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.855 4.190 -8.088 1.00 0.00 H new ATOM 155 N PRO A 10 14.132 0.744 -8.594 1.00 0.00 N ATOM 156 CA PRO A 10 14.502 -0.025 -7.417 1.00 0.00 C ATOM 157 C PRO A 10 15.599 0.642 -6.586 1.00 0.00 C ATOM 158 O PRO A 10 15.586 0.482 -5.372 1.00 0.00 O ATOM 159 CB PRO A 10 14.912 -1.404 -7.938 1.00 0.00 C ATOM 160 CG PRO A 10 15.342 -1.140 -9.381 1.00 0.00 C ATOM 161 CD PRO A 10 14.416 -0.005 -9.810 1.00 0.00 C ATOM 0 HA PRO A 10 13.665 -0.098 -6.722 1.00 0.00 H new ATOM 0 HB2 PRO A 10 15.726 -1.827 -7.350 1.00 0.00 H new ATOM 0 HB3 PRO A 10 14.084 -2.111 -7.891 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.391 -0.851 -9.444 1.00 0.00 H new ATOM 0 HG3 PRO A 10 15.217 -2.023 -10.008 1.00 0.00 H new ATOM 0 HD2 PRO A 10 14.892 0.628 -10.559 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.500 -0.393 -10.255 1.00 0.00 H new ATOM 169 N GLU A 11 16.518 1.405 -7.189 1.00 0.00 N ATOM 170 CA GLU A 11 17.655 2.008 -6.481 1.00 0.00 C ATOM 171 C GLU A 11 17.208 2.908 -5.330 1.00 0.00 C ATOM 172 O GLU A 11 17.723 2.811 -4.215 1.00 0.00 O ATOM 173 CB GLU A 11 18.523 2.789 -7.474 1.00 0.00 C ATOM 174 CG GLU A 11 19.476 1.814 -8.160 1.00 0.00 C ATOM 175 CD GLU A 11 20.345 2.484 -9.219 1.00 0.00 C ATOM 176 OE1 GLU A 11 21.022 3.496 -8.941 1.00 0.00 O ATOM 177 OE2 GLU A 11 20.358 1.957 -10.355 1.00 0.00 O ATOM 0 H GLU A 11 16.495 1.623 -8.185 1.00 0.00 H new ATOM 0 HA GLU A 11 18.241 1.202 -6.040 1.00 0.00 H new ATOM 0 HB2 GLU A 11 17.896 3.288 -8.213 1.00 0.00 H new ATOM 0 HB3 GLU A 11 19.085 3.566 -6.956 1.00 0.00 H new ATOM 0 HG2 GLU A 11 20.117 1.351 -7.410 1.00 0.00 H new ATOM 0 HG3 GLU A 11 18.899 1.014 -8.623 1.00 0.00 H new ATOM 184 N LYS A 12 16.199 3.738 -5.589 1.00 0.00 N ATOM 185 CA LYS A 12 15.605 4.628 -4.601 1.00 0.00 C ATOM 186 C LYS A 12 15.103 3.827 -3.409 1.00 0.00 C ATOM 187 O LYS A 12 15.334 4.200 -2.266 1.00 0.00 O ATOM 188 CB LYS A 12 14.458 5.406 -5.271 1.00 0.00 C ATOM 189 CG LYS A 12 13.818 6.490 -4.390 1.00 0.00 C ATOM 190 CD LYS A 12 14.818 7.594 -4.036 1.00 0.00 C ATOM 191 CE LYS A 12 14.138 8.961 -3.883 1.00 0.00 C ATOM 192 NZ LYS A 12 15.001 10.060 -4.362 1.00 0.00 N ATOM 0 H LYS A 12 15.766 3.810 -6.510 1.00 0.00 H new ATOM 0 HA LYS A 12 16.350 5.334 -4.233 1.00 0.00 H new ATOM 0 HB2 LYS A 12 14.836 5.873 -6.181 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.685 4.699 -5.573 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.965 6.925 -4.910 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.437 6.037 -3.475 1.00 0.00 H new ATOM 0 HD2 LYS A 12 15.327 7.337 -3.107 1.00 0.00 H new ATOM 0 HD3 LYS A 12 15.581 7.654 -4.812 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.201 8.965 -4.440 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.887 9.127 -2.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.507 10.967 -4.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.884 10.072 -3.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.220 9.916 -5.368 1.00 0.00 H new ATOM 206 N LEU A 13 14.409 2.719 -3.665 1.00 0.00 N ATOM 207 CA LEU A 13 13.774 1.916 -2.626 1.00 0.00 C ATOM 208 C LEU A 13 14.804 1.319 -1.672 1.00 0.00 C ATOM 209 O LEU A 13 14.463 0.997 -0.532 1.00 0.00 O ATOM 210 CB LEU A 13 12.945 0.795 -3.274 1.00 0.00 C ATOM 211 CG LEU A 13 11.502 1.170 -3.652 1.00 0.00 C ATOM 212 CD1 LEU A 13 10.591 1.340 -2.441 1.00 0.00 C ATOM 213 CD2 LEU A 13 11.405 2.465 -4.457 1.00 0.00 C ATOM 0 H LEU A 13 14.272 2.352 -4.607 1.00 0.00 H new ATOM 0 HA LEU A 13 13.121 2.567 -2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.461 0.459 -4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.914 -0.052 -2.589 1.00 0.00 H new ATOM 0 HG LEU A 13 11.175 0.325 -4.258 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.588 1.604 -2.775 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.553 0.406 -1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.981 2.132 -1.801 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.360 2.671 -4.690 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.815 3.288 -3.872 1.00 0.00 H new ATOM 0 HD23 LEU A 13 11.970 2.361 -5.383 1.00 0.00 H new ATOM 225 N LYS A 14 16.049 1.163 -2.116 1.00 0.00 N ATOM 226 CA LYS A 14 17.145 0.683 -1.286 1.00 0.00 C ATOM 227 C LYS A 14 17.520 1.783 -0.308 1.00 0.00 C ATOM 228 O LYS A 14 17.570 1.552 0.902 1.00 0.00 O ATOM 229 CB LYS A 14 18.337 0.240 -2.145 1.00 0.00 C ATOM 230 CG LYS A 14 17.821 -0.527 -3.366 1.00 0.00 C ATOM 231 CD LYS A 14 18.789 -1.547 -3.910 1.00 0.00 C ATOM 232 CE LYS A 14 18.186 -2.042 -5.225 1.00 0.00 C ATOM 233 NZ LYS A 14 18.999 -3.094 -5.846 1.00 0.00 N ATOM 0 H LYS A 14 16.326 1.370 -3.076 1.00 0.00 H new ATOM 0 HA LYS A 14 16.833 -0.199 -0.726 1.00 0.00 H new ATOM 0 HB2 LYS A 14 18.914 1.108 -2.463 1.00 0.00 H new ATOM 0 HB3 LYS A 14 19.007 -0.391 -1.561 1.00 0.00 H new ATOM 0 HG2 LYS A 14 16.892 -1.031 -3.099 1.00 0.00 H new ATOM 0 HG3 LYS A 14 17.581 0.186 -4.154 1.00 0.00 H new ATOM 0 HD2 LYS A 14 19.771 -1.104 -4.074 1.00 0.00 H new ATOM 0 HD3 LYS A 14 18.924 -2.370 -3.208 1.00 0.00 H new ATOM 0 HE2 LYS A 14 17.181 -2.422 -5.042 1.00 0.00 H new ATOM 0 HE3 LYS A 14 18.089 -1.205 -5.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 18.552 -3.399 -6.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 19.951 -2.725 -6.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 19.071 -3.905 -5.199 1.00 0.00 H new ATOM 247 N GLU A 15 17.691 2.996 -0.835 1.00 0.00 N ATOM 248 CA GLU A 15 18.133 4.168 -0.083 1.00 0.00 C ATOM 249 C GLU A 15 17.171 4.456 1.061 1.00 0.00 C ATOM 250 O GLU A 15 17.604 4.664 2.191 1.00 0.00 O ATOM 251 CB GLU A 15 18.244 5.409 -0.982 1.00 0.00 C ATOM 252 CG GLU A 15 19.210 5.205 -2.154 1.00 0.00 C ATOM 253 CD GLU A 15 20.184 6.375 -2.322 1.00 0.00 C ATOM 254 OE1 GLU A 15 21.166 6.462 -1.549 1.00 0.00 O ATOM 255 OE2 GLU A 15 19.932 7.219 -3.216 1.00 0.00 O ATOM 0 H GLU A 15 17.521 3.194 -1.821 1.00 0.00 H new ATOM 0 HA GLU A 15 19.122 3.945 0.317 1.00 0.00 H new ATOM 0 HB2 GLU A 15 17.257 5.661 -1.370 1.00 0.00 H new ATOM 0 HB3 GLU A 15 18.578 6.257 -0.384 1.00 0.00 H new ATOM 0 HG2 GLU A 15 19.775 4.286 -1.999 1.00 0.00 H new ATOM 0 HG3 GLU A 15 18.639 5.077 -3.073 1.00 0.00 H new ATOM 262 N LEU A 16 15.869 4.381 0.773 1.00 0.00 N ATOM 263 CA LEU A 16 14.771 4.694 1.685 1.00 0.00 C ATOM 264 C LEU A 16 14.701 3.810 2.934 1.00 0.00 C ATOM 265 O LEU A 16 13.920 4.113 3.836 1.00 0.00 O ATOM 266 CB LEU A 16 13.452 4.597 0.903 1.00 0.00 C ATOM 267 CG LEU A 16 13.265 5.691 -0.159 1.00 0.00 C ATOM 268 CD1 LEU A 16 11.945 5.454 -0.885 1.00 0.00 C ATOM 269 CD2 LEU A 16 13.272 7.095 0.425 1.00 0.00 C ATOM 0 H LEU A 16 15.539 4.086 -0.146 1.00 0.00 H new ATOM 0 HA LEU A 16 14.951 5.702 2.060 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.402 3.623 0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.621 4.645 1.607 1.00 0.00 H new ATOM 0 HG LEU A 16 14.110 5.627 -0.844 1.00 0.00 H new ATOM 0 HD11 LEU A 16 11.802 6.226 -1.642 1.00 0.00 H new ATOM 0 HD12 LEU A 16 11.964 4.475 -1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 16 11.124 5.492 -0.169 1.00 0.00 H new ATOM 0 HD21 LEU A 16 13.136 7.823 -0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 16 12.461 7.193 1.147 1.00 0.00 H new ATOM 0 HD23 LEU A 16 14.224 7.277 0.923 1.00 0.00 H new ATOM 281 N SER A 17 15.504 2.747 3.003 1.00 0.00 N ATOM 282 CA SER A 17 15.623 1.855 4.152 1.00 0.00 C ATOM 283 C SER A 17 14.335 1.072 4.411 1.00 0.00 C ATOM 284 O SER A 17 14.066 0.700 5.548 1.00 0.00 O ATOM 285 CB SER A 17 16.101 2.621 5.397 1.00 0.00 C ATOM 286 OG SER A 17 17.216 3.443 5.109 1.00 0.00 O ATOM 0 H SER A 17 16.111 2.476 2.230 1.00 0.00 H new ATOM 0 HA SER A 17 16.385 1.113 3.914 1.00 0.00 H new ATOM 0 HB2 SER A 17 15.286 3.234 5.782 1.00 0.00 H new ATOM 0 HB3 SER A 17 16.365 1.912 6.182 1.00 0.00 H new ATOM 0 HG SER A 17 17.492 3.916 5.922 1.00 0.00 H new ATOM 292 N VAL A 18 13.566 0.787 3.358 1.00 0.00 N ATOM 293 CA VAL A 18 12.380 -0.060 3.377 1.00 0.00 C ATOM 294 C VAL A 18 12.700 -1.413 4.020 1.00 0.00 C ATOM 295 O VAL A 18 11.867 -1.956 4.735 1.00 0.00 O ATOM 296 CB VAL A 18 11.824 -0.203 1.945 1.00 0.00 C ATOM 297 CG1 VAL A 18 10.477 -0.932 1.915 1.00 0.00 C ATOM 298 CG2 VAL A 18 11.619 1.169 1.288 1.00 0.00 C ATOM 0 H VAL A 18 13.765 1.159 2.429 1.00 0.00 H new ATOM 0 HA VAL A 18 11.604 0.402 3.988 1.00 0.00 H new ATOM 0 HB VAL A 18 12.566 -0.784 1.398 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.127 -1.008 0.885 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.595 -1.932 2.333 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.749 -0.376 2.506 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.226 1.035 0.280 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.912 1.753 1.878 1.00 0.00 H new ATOM 0 HG23 VAL A 18 12.572 1.695 1.239 1.00 0.00 H new ATOM 308 N GLU A 19 13.923 -1.924 3.853 1.00 0.00 N ATOM 309 CA GLU A 19 14.403 -3.113 4.552 1.00 0.00 C ATOM 310 C GLU A 19 14.253 -3.021 6.085 1.00 0.00 C ATOM 311 O GLU A 19 14.006 -4.039 6.737 1.00 0.00 O ATOM 312 CB GLU A 19 15.863 -3.384 4.148 1.00 0.00 C ATOM 313 CG GLU A 19 16.801 -2.186 4.393 1.00 0.00 C ATOM 314 CD GLU A 19 18.269 -2.578 4.297 1.00 0.00 C ATOM 315 OE1 GLU A 19 18.841 -2.981 5.329 1.00 0.00 O ATOM 316 OE2 GLU A 19 18.886 -2.447 3.217 1.00 0.00 O ATOM 0 H GLU A 19 14.613 -1.517 3.221 1.00 0.00 H new ATOM 0 HA GLU A 19 13.775 -3.951 4.249 1.00 0.00 H new ATOM 0 HB2 GLU A 19 16.232 -4.244 4.706 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.896 -3.651 3.092 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.587 -1.404 3.665 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.602 -1.766 5.379 1.00 0.00 H new ATOM 323 N LYS A 20 14.379 -1.826 6.675 1.00 0.00 N ATOM 324 CA LYS A 20 14.245 -1.611 8.113 1.00 0.00 C ATOM 325 C LYS A 20 12.795 -1.424 8.533 1.00 0.00 C ATOM 326 O LYS A 20 12.522 -1.506 9.733 1.00 0.00 O ATOM 327 CB LYS A 20 14.995 -0.347 8.572 1.00 0.00 C ATOM 328 CG LYS A 20 16.483 -0.331 8.231 1.00 0.00 C ATOM 329 CD LYS A 20 17.148 0.876 8.905 1.00 0.00 C ATOM 330 CE LYS A 20 18.626 0.969 8.533 1.00 0.00 C ATOM 331 NZ LYS A 20 19.493 0.090 9.341 1.00 0.00 N ATOM 0 H LYS A 20 14.580 -0.972 6.155 1.00 0.00 H new ATOM 0 HA LYS A 20 14.665 -2.505 8.574 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.523 0.524 8.119 1.00 0.00 H new ATOM 0 HB3 LYS A 20 14.882 -0.245 9.651 1.00 0.00 H new ATOM 0 HG2 LYS A 20 16.954 -1.254 8.567 1.00 0.00 H new ATOM 0 HG3 LYS A 20 16.619 -0.279 7.151 1.00 0.00 H new ATOM 0 HD2 LYS A 20 16.636 1.791 8.606 1.00 0.00 H new ATOM 0 HD3 LYS A 20 17.047 0.793 9.987 1.00 0.00 H new ATOM 0 HE2 LYS A 20 18.744 0.714 7.480 1.00 0.00 H new ATOM 0 HE3 LYS A 20 18.958 2.001 8.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 20.481 0.202 9.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 19.408 0.347 10.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 19.201 -0.900 9.211 1.00 0.00 H new ATOM 345 N TRP A 21 11.906 -1.076 7.600 1.00 0.00 N ATOM 346 CA TRP A 21 10.538 -0.695 7.916 1.00 0.00 C ATOM 347 C TRP A 21 9.809 -1.918 8.485 1.00 0.00 C ATOM 348 O TRP A 21 10.245 -3.050 8.257 1.00 0.00 O ATOM 349 CB TRP A 21 9.849 -0.141 6.654 1.00 0.00 C ATOM 350 CG TRP A 21 10.359 1.164 6.099 1.00 0.00 C ATOM 351 CD1 TRP A 21 11.480 1.815 6.493 1.00 0.00 C ATOM 352 CD2 TRP A 21 9.803 1.973 5.008 1.00 0.00 C ATOM 353 NE1 TRP A 21 11.663 2.942 5.726 1.00 0.00 N ATOM 354 CE2 TRP A 21 10.680 3.073 4.772 1.00 0.00 C ATOM 355 CE3 TRP A 21 8.672 1.876 4.162 1.00 0.00 C ATOM 356 CZ2 TRP A 21 10.463 4.008 3.751 1.00 0.00 C ATOM 357 CZ3 TRP A 21 8.415 2.835 3.158 1.00 0.00 C ATOM 358 CH2 TRP A 21 9.306 3.908 2.961 1.00 0.00 C ATOM 0 H TRP A 21 12.120 -1.052 6.603 1.00 0.00 H new ATOM 0 HA TRP A 21 10.518 0.095 8.667 1.00 0.00 H new ATOM 0 HB2 TRP A 21 9.928 -0.894 5.870 1.00 0.00 H new ATOM 0 HB3 TRP A 21 8.788 -0.021 6.875 1.00 0.00 H new ATOM 0 HD1 TRP A 21 12.133 1.496 7.292 1.00 0.00 H new ATOM 0 HE1 TRP A 21 12.433 3.600 5.849 1.00 0.00 H new ATOM 0 HE3 TRP A 21 7.989 1.049 4.288 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 11.178 4.798 3.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 7.534 2.746 2.540 1.00 0.00 H new ATOM 0 HH2 TRP A 21 9.100 4.651 2.205 1.00 0.00 H new ATOM 369 N PRO A 22 8.697 -1.738 9.208 1.00 0.00 N ATOM 370 CA PRO A 22 7.925 -2.857 9.717 1.00 0.00 C ATOM 371 C PRO A 22 7.295 -3.662 8.580 1.00 0.00 C ATOM 372 O PRO A 22 6.685 -3.112 7.652 1.00 0.00 O ATOM 373 CB PRO A 22 6.882 -2.226 10.643 1.00 0.00 C ATOM 374 CG PRO A 22 6.716 -0.809 10.100 1.00 0.00 C ATOM 375 CD PRO A 22 8.143 -0.479 9.680 1.00 0.00 C ATOM 0 HA PRO A 22 8.541 -3.578 10.254 1.00 0.00 H new ATOM 0 HB2 PRO A 22 5.941 -2.776 10.618 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.220 -2.219 11.679 1.00 0.00 H new ATOM 0 HG2 PRO A 22 6.021 -0.769 9.261 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.341 -0.120 10.857 1.00 0.00 H new ATOM 0 HD2 PRO A 22 8.159 0.278 8.896 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.719 -0.083 10.516 1.00 0.00 H new ATOM 383 N ILE A 23 7.444 -4.984 8.658 1.00 0.00 N ATOM 384 CA ILE A 23 6.620 -5.908 7.905 1.00 0.00 C ATOM 385 C ILE A 23 5.224 -5.876 8.519 1.00 0.00 C ATOM 386 O ILE A 23 5.039 -5.886 9.738 1.00 0.00 O ATOM 387 CB ILE A 23 7.257 -7.320 7.892 1.00 0.00 C ATOM 388 CG1 ILE A 23 8.460 -7.281 6.922 1.00 0.00 C ATOM 389 CG2 ILE A 23 6.298 -8.457 7.480 1.00 0.00 C ATOM 390 CD1 ILE A 23 9.249 -8.585 6.838 1.00 0.00 C ATOM 0 H ILE A 23 8.142 -5.437 9.248 1.00 0.00 H new ATOM 0 HA ILE A 23 6.546 -5.618 6.857 1.00 0.00 H new ATOM 0 HB ILE A 23 7.551 -7.551 8.916 1.00 0.00 H new ATOM 0 HG12 ILE A 23 8.099 -7.025 5.926 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.134 -6.483 7.232 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.831 -9.408 7.500 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.460 -8.496 8.176 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.925 -8.271 6.473 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.074 -8.467 6.135 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.644 -8.835 7.822 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.593 -9.386 6.496 1.00 0.00 H new ATOM 402 N TRP A 24 4.235 -5.905 7.637 1.00 0.00 N ATOM 403 CA TRP A 24 2.863 -6.260 7.914 1.00 0.00 C ATOM 404 C TRP A 24 2.449 -7.232 6.808 1.00 0.00 C ATOM 405 O TRP A 24 2.589 -6.909 5.622 1.00 0.00 O ATOM 406 CB TRP A 24 2.029 -4.984 7.979 1.00 0.00 C ATOM 407 CG TRP A 24 0.593 -5.167 8.329 1.00 0.00 C ATOM 408 CD1 TRP A 24 0.048 -5.016 9.554 1.00 0.00 C ATOM 409 CD2 TRP A 24 -0.515 -5.447 7.436 1.00 0.00 C ATOM 410 NE1 TRP A 24 -1.318 -5.205 9.480 1.00 0.00 N ATOM 411 CE2 TRP A 24 -1.724 -5.454 8.189 1.00 0.00 C ATOM 412 CE3 TRP A 24 -0.611 -5.658 6.053 1.00 0.00 C ATOM 413 CZ2 TRP A 24 -2.970 -5.676 7.592 1.00 0.00 C ATOM 414 CZ3 TRP A 24 -1.860 -5.781 5.434 1.00 0.00 C ATOM 415 CH2 TRP A 24 -3.035 -5.819 6.199 1.00 0.00 C ATOM 0 H TRP A 24 4.384 -5.667 6.656 1.00 0.00 H new ATOM 0 HA TRP A 24 2.717 -6.752 8.875 1.00 0.00 H new ATOM 0 HB2 TRP A 24 2.480 -4.314 8.711 1.00 0.00 H new ATOM 0 HB3 TRP A 24 2.087 -4.484 7.012 1.00 0.00 H new ATOM 0 HD1 TRP A 24 0.596 -4.783 10.455 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -1.947 -5.165 10.282 1.00 0.00 H new ATOM 0 HE3 TRP A 24 0.289 -5.726 5.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -3.865 -5.736 8.193 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.920 -5.847 4.358 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.990 -5.958 5.715 1.00 0.00 H new ATOM 426 N GLU A 25 2.015 -8.432 7.178 1.00 0.00 N ATOM 427 CA GLU A 25 1.449 -9.443 6.284 1.00 0.00 C ATOM 428 C GLU A 25 0.067 -9.822 6.821 1.00 0.00 C ATOM 429 O GLU A 25 -0.254 -9.527 7.975 1.00 0.00 O ATOM 430 CB GLU A 25 2.397 -10.647 6.123 1.00 0.00 C ATOM 431 CG GLU A 25 2.946 -11.217 7.439 1.00 0.00 C ATOM 432 CD GLU A 25 3.478 -12.640 7.299 1.00 0.00 C ATOM 433 OE1 GLU A 25 4.655 -12.803 6.885 1.00 0.00 O ATOM 434 OE2 GLU A 25 2.738 -13.595 7.631 1.00 0.00 O ATOM 0 H GLU A 25 2.048 -8.742 8.149 1.00 0.00 H new ATOM 0 HA GLU A 25 1.333 -9.045 5.276 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.868 -11.439 5.593 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.236 -10.349 5.495 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.745 -10.571 7.803 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.157 -11.203 8.191 1.00 0.00 H new ATOM 441 N LYS A 26 -0.799 -10.389 5.982 1.00 0.00 N ATOM 442 CA LYS A 26 -2.203 -10.630 6.309 1.00 0.00 C ATOM 443 C LYS A 26 -2.699 -11.745 5.402 1.00 0.00 C ATOM 444 O LYS A 26 -2.056 -12.030 4.385 1.00 0.00 O ATOM 445 CB LYS A 26 -2.999 -9.330 6.101 1.00 0.00 C ATOM 446 CG LYS A 26 -4.173 -9.128 7.063 1.00 0.00 C ATOM 447 CD LYS A 26 -5.538 -9.464 6.470 1.00 0.00 C ATOM 448 CE LYS A 26 -6.634 -8.872 7.361 1.00 0.00 C ATOM 449 NZ LYS A 26 -7.945 -9.419 6.982 1.00 0.00 N ATOM 0 H LYS A 26 -0.542 -10.698 5.044 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.330 -10.931 7.349 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.318 -8.485 6.201 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.379 -9.314 5.080 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.013 -9.745 7.947 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.180 -8.090 7.395 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.618 -9.063 5.460 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.659 -10.545 6.394 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.425 -9.099 8.406 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.643 -7.786 7.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.677 -9.037 7.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.162 -9.152 6.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.925 -10.456 7.063 1.00 0.00 H new ATOM 463 N GLU A 27 -3.835 -12.353 5.730 1.00 0.00 N ATOM 464 CA GLU A 27 -4.447 -13.354 4.891 1.00 0.00 C ATOM 465 C GLU A 27 -5.098 -12.704 3.675 1.00 0.00 C ATOM 466 O GLU A 27 -5.130 -11.485 3.517 1.00 0.00 O ATOM 467 CB GLU A 27 -5.524 -14.045 5.730 1.00 0.00 C ATOM 468 CG GLU A 27 -5.728 -15.527 5.447 1.00 0.00 C ATOM 469 CD GLU A 27 -5.625 -16.339 6.737 1.00 0.00 C ATOM 470 OE1 GLU A 27 -4.490 -16.677 7.131 1.00 0.00 O ATOM 471 OE2 GLU A 27 -6.668 -16.534 7.411 1.00 0.00 O ATOM 0 H GLU A 27 -4.351 -12.159 6.588 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.698 -14.063 4.538 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.271 -13.926 6.783 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.471 -13.529 5.570 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -6.704 -15.684 4.989 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -4.981 -15.873 4.732 1.00 0.00 H new ATOM 478 N VAL A 28 -5.747 -13.556 2.896 1.00 0.00 N ATOM 479 CA VAL A 28 -6.665 -13.212 1.815 1.00 0.00 C ATOM 480 C VAL A 28 -7.973 -12.568 2.335 1.00 0.00 C ATOM 481 O VAL A 28 -8.876 -12.242 1.564 1.00 0.00 O ATOM 482 CB VAL A 28 -6.860 -14.490 0.961 1.00 0.00 C ATOM 483 CG1 VAL A 28 -7.503 -15.651 1.739 1.00 0.00 C ATOM 484 CG2 VAL A 28 -7.657 -14.239 -0.318 1.00 0.00 C ATOM 0 H VAL A 28 -5.643 -14.565 3.006 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.251 -12.431 1.178 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.846 -14.782 0.687 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.611 -16.514 1.082 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.870 -15.916 2.586 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.485 -15.346 2.102 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -7.759 -15.172 -0.872 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -8.646 -13.859 -0.062 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.135 -13.507 -0.934 1.00 0.00 H new ATOM 494 N SER A 29 -8.121 -12.394 3.649 1.00 0.00 N ATOM 495 CA SER A 29 -9.327 -11.833 4.226 1.00 0.00 C ATOM 496 C SER A 29 -9.426 -10.349 3.930 1.00 0.00 C ATOM 497 O SER A 29 -8.499 -9.584 4.205 1.00 0.00 O ATOM 498 CB SER A 29 -9.404 -12.100 5.726 1.00 0.00 C ATOM 499 OG SER A 29 -8.152 -12.113 6.377 1.00 0.00 O ATOM 0 H SER A 29 -7.407 -12.639 4.335 1.00 0.00 H new ATOM 0 HA SER A 29 -10.179 -12.329 3.762 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.033 -11.338 6.187 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.895 -13.060 5.888 1.00 0.00 H new ATOM 0 HG SER A 29 -8.282 -12.288 7.332 1.00 0.00 H new ATOM 505 N GLU A 30 -10.582 -9.946 3.422 1.00 0.00 N ATOM 506 CA GLU A 30 -10.864 -8.585 3.019 1.00 0.00 C ATOM 507 C GLU A 30 -11.479 -7.812 4.183 1.00 0.00 C ATOM 508 O GLU A 30 -12.014 -8.392 5.138 1.00 0.00 O ATOM 509 CB GLU A 30 -11.740 -8.623 1.763 1.00 0.00 C ATOM 510 CG GLU A 30 -13.211 -9.029 1.944 1.00 0.00 C ATOM 511 CD GLU A 30 -14.157 -7.844 1.763 1.00 0.00 C ATOM 512 OE1 GLU A 30 -14.211 -7.268 0.652 1.00 0.00 O ATOM 513 OE2 GLU A 30 -14.871 -7.464 2.716 1.00 0.00 O ATOM 0 H GLU A 30 -11.369 -10.579 3.277 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.951 -8.048 2.760 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.717 -7.634 1.305 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.284 -9.314 1.054 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.463 -9.808 1.224 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.350 -9.456 2.937 1.00 0.00 H new ATOM 520 N PHE A 31 -11.362 -6.496 4.127 1.00 0.00 N ATOM 521 CA PHE A 31 -11.700 -5.552 5.180 1.00 0.00 C ATOM 522 C PHE A 31 -11.778 -4.171 4.537 1.00 0.00 C ATOM 523 O PHE A 31 -11.925 -4.038 3.322 1.00 0.00 O ATOM 524 CB PHE A 31 -10.680 -5.616 6.334 1.00 0.00 C ATOM 525 CG PHE A 31 -9.231 -5.462 5.921 1.00 0.00 C ATOM 526 CD1 PHE A 31 -8.509 -6.590 5.487 1.00 0.00 C ATOM 527 CD2 PHE A 31 -8.615 -4.196 5.955 1.00 0.00 C ATOM 528 CE1 PHE A 31 -7.179 -6.436 5.063 1.00 0.00 C ATOM 529 CE2 PHE A 31 -7.280 -4.053 5.552 1.00 0.00 C ATOM 530 CZ PHE A 31 -6.570 -5.169 5.085 1.00 0.00 C ATOM 0 H PHE A 31 -11.006 -6.029 3.293 1.00 0.00 H new ATOM 0 HA PHE A 31 -12.661 -5.797 5.633 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -10.921 -4.835 7.055 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -10.796 -6.570 6.848 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.974 -7.565 5.480 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -9.172 -3.334 6.292 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -6.622 -7.295 4.719 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.800 -3.087 5.601 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.553 -5.055 4.741 1.00 0.00 H new ATOM 540 N ASP A 32 -11.756 -3.124 5.346 1.00 0.00 N ATOM 541 CA ASP A 32 -11.682 -1.735 4.942 1.00 0.00 C ATOM 542 C ASP A 32 -10.725 -1.005 5.876 1.00 0.00 C ATOM 543 O ASP A 32 -10.465 -1.467 6.989 1.00 0.00 O ATOM 544 CB ASP A 32 -13.081 -1.133 4.960 1.00 0.00 C ATOM 545 CG ASP A 32 -13.846 -1.393 6.253 1.00 0.00 C ATOM 546 OD1 ASP A 32 -13.605 -0.688 7.257 1.00 0.00 O ATOM 547 OD2 ASP A 32 -14.756 -2.252 6.221 1.00 0.00 O ATOM 0 H ASP A 32 -11.791 -3.230 6.360 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.298 -1.640 3.926 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -13.005 -0.057 4.804 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.651 -1.537 4.124 1.00 0.00 H new ATOM 552 N TRP A 33 -10.160 0.118 5.432 1.00 0.00 N ATOM 553 CA TRP A 33 -9.136 0.849 6.166 1.00 0.00 C ATOM 554 C TRP A 33 -9.290 2.359 5.974 1.00 0.00 C ATOM 555 O TRP A 33 -9.533 2.846 4.861 1.00 0.00 O ATOM 556 CB TRP A 33 -7.741 0.373 5.736 1.00 0.00 C ATOM 557 CG TRP A 33 -6.682 0.605 6.768 1.00 0.00 C ATOM 558 CD1 TRP A 33 -5.794 1.622 6.782 1.00 0.00 C ATOM 559 CD2 TRP A 33 -6.455 -0.128 8.008 1.00 0.00 C ATOM 560 NE1 TRP A 33 -5.018 1.558 7.921 1.00 0.00 N ATOM 561 CE2 TRP A 33 -5.376 0.488 8.711 1.00 0.00 C ATOM 562 CE3 TRP A 33 -7.100 -1.212 8.640 1.00 0.00 C ATOM 563 CZ2 TRP A 33 -4.938 0.024 9.959 1.00 0.00 C ATOM 564 CZ3 TRP A 33 -6.687 -1.665 9.907 1.00 0.00 C ATOM 565 CH2 TRP A 33 -5.597 -1.062 10.557 1.00 0.00 C ATOM 0 H TRP A 33 -10.406 0.548 4.541 1.00 0.00 H new ATOM 0 HA TRP A 33 -9.259 0.644 7.230 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -7.785 -0.692 5.506 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -7.459 0.886 4.817 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -5.704 2.376 6.014 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -4.275 2.218 8.149 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -7.924 -1.702 8.143 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -4.103 0.497 10.455 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -7.211 -2.481 10.382 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -5.266 -1.434 11.516 1.00 0.00 H new ATOM 576 N TYR A 34 -9.114 3.092 7.070 1.00 0.00 N ATOM 577 CA TYR A 34 -8.964 4.533 7.109 1.00 0.00 C ATOM 578 C TYR A 34 -7.483 4.843 7.321 1.00 0.00 C ATOM 579 O TYR A 34 -6.807 4.125 8.062 1.00 0.00 O ATOM 580 CB TYR A 34 -9.818 5.105 8.252 1.00 0.00 C ATOM 581 CG TYR A 34 -9.728 6.613 8.393 1.00 0.00 C ATOM 582 CD1 TYR A 34 -10.245 7.437 7.381 1.00 0.00 C ATOM 583 CD2 TYR A 34 -9.116 7.200 9.515 1.00 0.00 C ATOM 584 CE1 TYR A 34 -10.121 8.833 7.446 1.00 0.00 C ATOM 585 CE2 TYR A 34 -9.008 8.597 9.606 1.00 0.00 C ATOM 586 CZ TYR A 34 -9.484 9.418 8.560 1.00 0.00 C ATOM 587 OH TYR A 34 -9.360 10.767 8.645 1.00 0.00 O ATOM 0 H TYR A 34 -9.071 2.671 7.998 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.302 4.989 6.178 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.859 4.827 8.088 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.508 4.643 9.190 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -10.747 6.988 6.537 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.729 6.576 10.307 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -10.509 9.453 6.651 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.559 9.046 10.480 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.898 11.001 9.477 1.00 0.00 H new ATOM 597 N TYR A 35 -6.980 5.923 6.725 1.00 0.00 N ATOM 598 CA TYR A 35 -5.633 6.443 6.918 1.00 0.00 C ATOM 599 C TYR A 35 -5.756 7.845 7.508 1.00 0.00 C ATOM 600 O TYR A 35 -6.402 8.710 6.910 1.00 0.00 O ATOM 601 CB TYR A 35 -4.866 6.455 5.588 1.00 0.00 C ATOM 602 CG TYR A 35 -4.653 5.080 4.982 1.00 0.00 C ATOM 603 CD1 TYR A 35 -3.517 4.320 5.323 1.00 0.00 C ATOM 604 CD2 TYR A 35 -5.605 4.549 4.091 1.00 0.00 C ATOM 605 CE1 TYR A 35 -3.332 3.037 4.777 1.00 0.00 C ATOM 606 CE2 TYR A 35 -5.418 3.277 3.523 1.00 0.00 C ATOM 607 CZ TYR A 35 -4.281 2.511 3.872 1.00 0.00 C ATOM 608 OH TYR A 35 -4.121 1.267 3.350 1.00 0.00 O ATOM 0 H TYR A 35 -7.525 6.481 6.068 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.069 5.808 7.601 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.408 7.075 4.874 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -3.895 6.925 5.745 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -2.785 4.724 6.007 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.485 5.123 3.842 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.465 2.454 5.049 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.140 2.885 2.822 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.680 1.333 2.477 1.00 0.00 H new ATOM 618 N ASP A 36 -5.140 8.068 8.670 1.00 0.00 N ATOM 619 CA ASP A 36 -5.278 9.258 9.506 1.00 0.00 C ATOM 620 C ASP A 36 -3.975 10.042 9.628 1.00 0.00 C ATOM 621 O ASP A 36 -4.007 11.143 10.172 1.00 0.00 O ATOM 622 CB ASP A 36 -5.803 8.890 10.901 1.00 0.00 C ATOM 623 CG ASP A 36 -4.700 8.527 11.892 1.00 0.00 C ATOM 624 OD1 ASP A 36 -4.203 7.379 11.887 1.00 0.00 O ATOM 625 OD2 ASP A 36 -4.370 9.379 12.746 1.00 0.00 O ATOM 0 H ASP A 36 -4.498 7.386 9.073 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.002 9.903 9.009 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.375 9.729 11.298 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.491 8.049 10.811 1.00 0.00 H new ATOM 630 N THR A 37 -2.882 9.508 9.080 1.00 0.00 N ATOM 631 CA THR A 37 -1.566 10.082 8.778 1.00 0.00 C ATOM 632 C THR A 37 -1.123 9.478 7.441 1.00 0.00 C ATOM 633 O THR A 37 -1.863 8.674 6.862 1.00 0.00 O ATOM 634 CB THR A 37 -0.589 9.899 9.959 1.00 0.00 C ATOM 635 OG1 THR A 37 -0.845 8.721 10.709 1.00 0.00 O ATOM 636 CG2 THR A 37 -0.720 11.119 10.876 1.00 0.00 C ATOM 0 H THR A 37 -2.902 8.528 8.799 1.00 0.00 H new ATOM 0 HA THR A 37 -1.596 11.165 8.660 1.00 0.00 H new ATOM 0 HB THR A 37 0.418 9.803 9.554 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.198 8.653 11.442 1.00 0.00 H new ATOM 0 HG21 THR A 37 -0.039 11.014 11.720 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.471 12.022 10.318 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.744 11.190 11.243 1.00 0.00 H new ATOM 644 N ASN A 38 0.009 9.909 6.883 1.00 0.00 N ATOM 645 CA ASN A 38 0.462 9.380 5.604 1.00 0.00 C ATOM 646 C ASN A 38 0.900 7.945 5.860 1.00 0.00 C ATOM 647 O ASN A 38 1.557 7.681 6.870 1.00 0.00 O ATOM 648 CB ASN A 38 1.647 10.183 5.059 1.00 0.00 C ATOM 649 CG ASN A 38 1.401 11.680 4.976 1.00 0.00 C ATOM 650 OD1 ASN A 38 0.568 12.159 4.208 1.00 0.00 O ATOM 651 ND2 ASN A 38 2.124 12.463 5.756 1.00 0.00 N ATOM 0 H ASN A 38 0.620 10.615 7.294 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.339 9.439 4.867 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.515 10.004 5.693 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.896 9.812 4.065 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.994 13.474 5.725 1.00 0.00 H new ATOM 0 HD22 ASN A 38 2.812 12.057 6.390 1.00 0.00 H new ATOM 658 N GLU A 39 0.596 7.018 4.959 1.00 0.00 N ATOM 659 CA GLU A 39 1.246 5.715 4.928 1.00 0.00 C ATOM 660 C GLU A 39 1.852 5.608 3.542 1.00 0.00 C ATOM 661 O GLU A 39 1.111 5.589 2.555 1.00 0.00 O ATOM 662 CB GLU A 39 0.297 4.541 5.259 1.00 0.00 C ATOM 663 CG GLU A 39 1.100 3.220 5.269 1.00 0.00 C ATOM 664 CD GLU A 39 0.280 1.948 5.523 1.00 0.00 C ATOM 665 OE1 GLU A 39 -0.493 1.867 6.505 1.00 0.00 O ATOM 666 OE2 GLU A 39 0.430 0.982 4.737 1.00 0.00 O ATOM 0 H GLU A 39 -0.107 7.149 4.231 1.00 0.00 H new ATOM 0 HA GLU A 39 2.005 5.641 5.707 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.173 4.701 6.229 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.504 4.487 4.522 1.00 0.00 H new ATOM 0 HG2 GLU A 39 1.609 3.118 4.310 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.873 3.291 6.034 1.00 0.00 H new ATOM 673 N THR A 40 3.180 5.566 3.456 1.00 0.00 N ATOM 674 CA THR A 40 3.848 5.027 2.283 1.00 0.00 C ATOM 675 C THR A 40 4.027 3.541 2.565 1.00 0.00 C ATOM 676 O THR A 40 4.508 3.177 3.642 1.00 0.00 O ATOM 677 CB THR A 40 5.190 5.740 2.033 1.00 0.00 C ATOM 678 OG1 THR A 40 4.935 7.066 1.600 1.00 0.00 O ATOM 679 CG2 THR A 40 6.009 5.095 0.909 1.00 0.00 C ATOM 0 H THR A 40 3.810 5.899 4.186 1.00 0.00 H new ATOM 0 HA THR A 40 3.268 5.182 1.373 1.00 0.00 H new ATOM 0 HB THR A 40 5.743 5.685 2.971 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.944 7.670 2.372 1.00 0.00 H new ATOM 0 HG21 THR A 40 6.943 5.641 0.780 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.227 4.059 1.167 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.439 5.126 -0.020 1.00 0.00 H new ATOM 687 N CYS A 41 3.692 2.682 1.606 1.00 0.00 N ATOM 688 CA CYS A 41 4.127 1.301 1.648 1.00 0.00 C ATOM 689 C CYS A 41 4.550 0.826 0.268 1.00 0.00 C ATOM 690 O CYS A 41 4.202 1.425 -0.750 1.00 0.00 O ATOM 691 CB CYS A 41 3.058 0.394 2.261 1.00 0.00 C ATOM 692 SG CYS A 41 1.518 0.436 1.323 1.00 0.00 S ATOM 0 H CYS A 41 3.122 2.923 0.795 1.00 0.00 H new ATOM 0 HA CYS A 41 5.000 1.243 2.298 1.00 0.00 H new ATOM 0 HB2 CYS A 41 3.430 -0.630 2.301 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.865 0.703 3.288 1.00 0.00 H new ATOM 0 HG CYS A 41 0.522 0.640 2.133 1.00 0.00 H new ATOM 698 N TYR A 42 5.303 -0.266 0.263 1.00 0.00 N ATOM 699 CA TYR A 42 5.849 -0.928 -0.901 1.00 0.00 C ATOM 700 C TYR A 42 5.325 -2.359 -0.847 1.00 0.00 C ATOM 701 O TYR A 42 5.431 -2.973 0.210 1.00 0.00 O ATOM 702 CB TYR A 42 7.383 -0.827 -0.817 1.00 0.00 C ATOM 703 CG TYR A 42 8.105 -1.308 -2.052 1.00 0.00 C ATOM 704 CD1 TYR A 42 7.988 -0.563 -3.241 1.00 0.00 C ATOM 705 CD2 TYR A 42 8.840 -2.511 -2.037 1.00 0.00 C ATOM 706 CE1 TYR A 42 8.541 -1.046 -4.436 1.00 0.00 C ATOM 707 CE2 TYR A 42 9.372 -3.004 -3.243 1.00 0.00 C ATOM 708 CZ TYR A 42 9.197 -2.291 -4.447 1.00 0.00 C ATOM 709 OH TYR A 42 9.686 -2.775 -5.618 1.00 0.00 O ATOM 0 H TYR A 42 5.562 -0.738 1.129 1.00 0.00 H new ATOM 0 HA TYR A 42 5.556 -0.486 -1.853 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.658 0.211 -0.631 1.00 0.00 H new ATOM 0 HB3 TYR A 42 7.727 -1.406 0.040 1.00 0.00 H new ATOM 0 HD1 TYR A 42 7.470 0.385 -3.233 1.00 0.00 H new ATOM 0 HD2 TYR A 42 8.993 -3.047 -1.112 1.00 0.00 H new ATOM 0 HE1 TYR A 42 8.464 -0.465 -5.343 1.00 0.00 H new ATOM 0 HE2 TYR A 42 9.918 -3.936 -3.246 1.00 0.00 H new ATOM 0 HH TYR A 42 10.112 -3.643 -5.461 1.00 0.00 H new ATOM 719 N ILE A 43 4.735 -2.852 -1.934 1.00 0.00 N ATOM 720 CA ILE A 43 4.169 -4.179 -2.144 1.00 0.00 C ATOM 721 C ILE A 43 5.314 -5.078 -2.625 1.00 0.00 C ATOM 722 O ILE A 43 5.721 -5.005 -3.789 1.00 0.00 O ATOM 723 CB ILE A 43 3.017 -4.099 -3.189 1.00 0.00 C ATOM 724 CG1 ILE A 43 1.918 -3.060 -2.844 1.00 0.00 C ATOM 725 CG2 ILE A 43 2.383 -5.485 -3.419 1.00 0.00 C ATOM 726 CD1 ILE A 43 1.133 -3.368 -1.566 1.00 0.00 C ATOM 0 H ILE A 43 4.632 -2.275 -2.769 1.00 0.00 H new ATOM 0 HA ILE A 43 3.739 -4.587 -1.229 1.00 0.00 H new ATOM 0 HB ILE A 43 3.487 -3.752 -4.109 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.382 -2.079 -2.743 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.220 -2.998 -3.678 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.581 -5.401 -4.153 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.142 -6.176 -3.787 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.977 -5.860 -2.479 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.386 -2.591 -1.401 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.636 -4.333 -1.668 1.00 0.00 H new ATOM 0 HD13 ILE A 43 1.817 -3.400 -0.718 1.00 0.00 H new ATOM 738 N LEU A 44 5.849 -5.907 -1.725 1.00 0.00 N ATOM 739 CA LEU A 44 7.014 -6.741 -1.992 1.00 0.00 C ATOM 740 C LEU A 44 6.620 -8.009 -2.740 1.00 0.00 C ATOM 741 O LEU A 44 7.458 -8.582 -3.424 1.00 0.00 O ATOM 742 CB LEU A 44 7.676 -7.160 -0.665 1.00 0.00 C ATOM 743 CG LEU A 44 8.489 -6.084 0.074 1.00 0.00 C ATOM 744 CD1 LEU A 44 9.828 -5.791 -0.619 1.00 0.00 C ATOM 745 CD2 LEU A 44 7.732 -4.801 0.373 1.00 0.00 C ATOM 0 H LEU A 44 5.478 -6.016 -0.781 1.00 0.00 H new ATOM 0 HA LEU A 44 7.704 -6.157 -2.600 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.895 -7.517 0.007 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.334 -8.005 -0.866 1.00 0.00 H new ATOM 0 HG LEU A 44 8.695 -6.529 1.048 1.00 0.00 H new ATOM 0 HD11 LEU A 44 10.367 -5.025 -0.061 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.426 -6.702 -0.655 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.643 -5.438 -1.634 1.00 0.00 H new ATOM 0 HD21 LEU A 44 8.388 -4.105 0.895 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.395 -4.351 -0.561 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.869 -5.025 1.000 1.00 0.00 H new ATOM 757 N GLU A 45 5.380 -8.471 -2.584 1.00 0.00 N ATOM 758 CA GLU A 45 4.831 -9.715 -3.111 1.00 0.00 C ATOM 759 C GLU A 45 3.349 -9.726 -2.717 1.00 0.00 C ATOM 760 O GLU A 45 3.014 -9.156 -1.674 1.00 0.00 O ATOM 761 CB GLU A 45 5.599 -10.933 -2.543 1.00 0.00 C ATOM 762 CG GLU A 45 5.714 -10.948 -1.006 1.00 0.00 C ATOM 763 CD GLU A 45 6.637 -12.050 -0.468 1.00 0.00 C ATOM 764 OE1 GLU A 45 6.645 -13.191 -0.993 1.00 0.00 O ATOM 765 OE2 GLU A 45 7.403 -11.792 0.494 1.00 0.00 O ATOM 0 H GLU A 45 4.687 -7.948 -2.049 1.00 0.00 H new ATOM 0 HA GLU A 45 4.934 -9.780 -4.194 1.00 0.00 H new ATOM 0 HB2 GLU A 45 5.100 -11.846 -2.868 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.601 -10.948 -2.971 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.084 -9.980 -0.669 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.720 -11.077 -0.577 1.00 0.00 H new ATOM 772 N GLY A 46 2.482 -10.344 -3.531 1.00 0.00 N ATOM 773 CA GLY A 46 1.026 -10.415 -3.326 1.00 0.00 C ATOM 774 C GLY A 46 0.232 -9.408 -4.170 1.00 0.00 C ATOM 775 O GLY A 46 0.816 -8.693 -4.985 1.00 0.00 O ATOM 0 H GLY A 46 2.783 -10.825 -4.379 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.684 -11.423 -3.562 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.808 -10.243 -2.272 1.00 0.00 H new ATOM 779 N LYS A 47 -1.102 -9.357 -4.007 1.00 0.00 N ATOM 780 CA LYS A 47 -1.986 -8.427 -4.734 1.00 0.00 C ATOM 781 C LYS A 47 -3.088 -7.933 -3.806 1.00 0.00 C ATOM 782 O LYS A 47 -3.600 -8.690 -2.975 1.00 0.00 O ATOM 783 CB LYS A 47 -2.649 -9.113 -5.951 1.00 0.00 C ATOM 784 CG LYS A 47 -2.453 -8.344 -7.278 1.00 0.00 C ATOM 785 CD LYS A 47 -3.213 -7.011 -7.423 1.00 0.00 C ATOM 786 CE LYS A 47 -4.711 -7.124 -7.732 1.00 0.00 C ATOM 787 NZ LYS A 47 -4.956 -7.516 -9.143 1.00 0.00 N ATOM 0 H LYS A 47 -1.602 -9.967 -3.360 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.373 -7.596 -5.083 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.240 -10.117 -6.059 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.716 -9.223 -5.759 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.389 -8.144 -7.402 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.752 -8.997 -8.098 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.094 -6.445 -6.499 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.741 -6.430 -8.216 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.165 -7.859 -7.067 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.196 -6.169 -7.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.966 -7.402 -9.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.392 -6.911 -9.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.682 -8.510 -9.280 1.00 0.00 H new ATOM 801 N VAL A 48 -3.534 -6.701 -4.032 1.00 0.00 N ATOM 802 CA VAL A 48 -4.626 -6.061 -3.310 1.00 0.00 C ATOM 803 C VAL A 48 -5.484 -5.308 -4.333 1.00 0.00 C ATOM 804 O VAL A 48 -4.990 -4.931 -5.401 1.00 0.00 O ATOM 805 CB VAL A 48 -4.055 -5.107 -2.232 1.00 0.00 C ATOM 806 CG1 VAL A 48 -5.096 -4.677 -1.188 1.00 0.00 C ATOM 807 CG2 VAL A 48 -2.859 -5.710 -1.472 1.00 0.00 C ATOM 0 H VAL A 48 -3.129 -6.100 -4.750 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.242 -6.798 -2.795 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.732 -4.236 -2.803 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.630 -4.010 -0.463 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.916 -4.158 -1.684 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.482 -5.558 -0.675 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.502 -4.996 -0.730 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.171 -6.627 -0.972 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.057 -5.934 -2.175 1.00 0.00 H new ATOM 817 N GLU A 49 -6.749 -5.063 -4.006 1.00 0.00 N ATOM 818 CA GLU A 49 -7.624 -4.123 -4.672 1.00 0.00 C ATOM 819 C GLU A 49 -8.083 -3.094 -3.644 1.00 0.00 C ATOM 820 O GLU A 49 -8.420 -3.430 -2.502 1.00 0.00 O ATOM 821 CB GLU A 49 -8.835 -4.853 -5.250 1.00 0.00 C ATOM 822 CG GLU A 49 -8.506 -5.590 -6.547 1.00 0.00 C ATOM 823 CD GLU A 49 -9.782 -5.961 -7.305 1.00 0.00 C ATOM 824 OE1 GLU A 49 -10.769 -6.445 -6.698 1.00 0.00 O ATOM 825 OE2 GLU A 49 -9.848 -5.672 -8.523 1.00 0.00 O ATOM 0 H GLU A 49 -7.208 -5.541 -3.231 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.095 -3.633 -5.490 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.211 -5.565 -4.516 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.634 -4.135 -5.436 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.874 -4.963 -7.176 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.937 -6.492 -6.323 1.00 0.00 H new ATOM 832 N VAL A 50 -8.127 -1.833 -4.063 1.00 0.00 N ATOM 833 CA VAL A 50 -8.542 -0.699 -3.256 1.00 0.00 C ATOM 834 C VAL A 50 -9.501 0.092 -4.165 1.00 0.00 C ATOM 835 O VAL A 50 -9.145 0.470 -5.275 1.00 0.00 O ATOM 836 CB VAL A 50 -7.277 0.055 -2.744 1.00 0.00 C ATOM 837 CG1 VAL A 50 -7.566 1.257 -1.832 1.00 0.00 C ATOM 838 CG2 VAL A 50 -6.289 -0.864 -2.000 1.00 0.00 C ATOM 0 H VAL A 50 -7.863 -1.567 -5.012 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.075 -0.942 -2.337 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.834 0.423 -3.669 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.626 1.717 -1.527 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.168 1.987 -2.372 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.109 0.921 -0.949 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.430 -0.281 -1.668 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.784 -1.306 -1.135 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.954 -1.656 -2.670 1.00 0.00 H new ATOM 848 N THR A 51 -10.756 0.277 -3.757 1.00 0.00 N ATOM 849 CA THR A 51 -11.715 1.201 -4.355 1.00 0.00 C ATOM 850 C THR A 51 -11.980 2.320 -3.348 1.00 0.00 C ATOM 851 O THR A 51 -12.657 2.103 -2.336 1.00 0.00 O ATOM 852 CB THR A 51 -13.002 0.462 -4.723 1.00 0.00 C ATOM 853 OG1 THR A 51 -12.709 -0.521 -5.695 1.00 0.00 O ATOM 854 CG2 THR A 51 -14.101 1.354 -5.309 1.00 0.00 C ATOM 0 H THR A 51 -11.147 -0.236 -2.967 1.00 0.00 H new ATOM 0 HA THR A 51 -11.317 1.628 -5.275 1.00 0.00 H new ATOM 0 HB THR A 51 -13.376 0.045 -3.788 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.451 -1.159 -5.749 1.00 0.00 H new ATOM 0 HG21 THR A 51 -14.977 0.748 -5.541 1.00 0.00 H new ATOM 0 HG22 THR A 51 -14.372 2.121 -4.584 1.00 0.00 H new ATOM 0 HG23 THR A 51 -13.737 1.829 -6.220 1.00 0.00 H new ATOM 862 N THR A 52 -11.423 3.506 -3.587 1.00 0.00 N ATOM 863 CA THR A 52 -11.735 4.652 -2.746 1.00 0.00 C ATOM 864 C THR A 52 -13.200 5.042 -2.984 1.00 0.00 C ATOM 865 O THR A 52 -13.837 4.573 -3.929 1.00 0.00 O ATOM 866 CB THR A 52 -10.723 5.790 -2.952 1.00 0.00 C ATOM 867 OG1 THR A 52 -10.866 6.381 -4.225 1.00 0.00 O ATOM 868 CG2 THR A 52 -9.273 5.326 -2.787 1.00 0.00 C ATOM 0 H THR A 52 -10.765 3.694 -4.343 1.00 0.00 H new ATOM 0 HA THR A 52 -11.635 4.400 -1.690 1.00 0.00 H new ATOM 0 HB THR A 52 -10.943 6.524 -2.176 1.00 0.00 H new ATOM 0 HG1 THR A 52 -10.210 7.102 -4.326 1.00 0.00 H new ATOM 0 HG21 THR A 52 -8.601 6.170 -2.943 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.130 4.929 -1.782 1.00 0.00 H new ATOM 0 HG23 THR A 52 -9.054 4.548 -3.518 1.00 0.00 H new ATOM 876 N GLU A 53 -13.773 5.868 -2.111 1.00 0.00 N ATOM 877 CA GLU A 53 -15.225 6.000 -2.005 1.00 0.00 C ATOM 878 C GLU A 53 -15.849 6.791 -3.164 1.00 0.00 C ATOM 879 O GLU A 53 -17.041 6.734 -3.454 1.00 0.00 O ATOM 880 CB GLU A 53 -15.531 6.620 -0.637 1.00 0.00 C ATOM 881 CG GLU A 53 -16.945 6.258 -0.195 1.00 0.00 C ATOM 882 CD GLU A 53 -17.064 4.807 0.315 1.00 0.00 C ATOM 883 OE1 GLU A 53 -16.375 3.890 -0.205 1.00 0.00 O ATOM 884 OE2 GLU A 53 -17.849 4.562 1.251 1.00 0.00 O ATOM 0 H GLU A 53 -13.251 6.459 -1.464 1.00 0.00 H new ATOM 0 HA GLU A 53 -15.685 5.015 -2.083 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -14.810 6.265 0.100 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.426 7.704 -0.690 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -17.259 6.941 0.594 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -17.629 6.401 -1.032 1.00 0.00 H new ATOM 891 N ASP A 54 -14.990 7.478 -3.894 1.00 0.00 N ATOM 892 CA ASP A 54 -15.191 8.003 -5.242 1.00 0.00 C ATOM 893 C ASP A 54 -15.682 6.941 -6.234 1.00 0.00 C ATOM 894 O ASP A 54 -16.224 7.285 -7.284 1.00 0.00 O ATOM 895 CB ASP A 54 -13.850 8.518 -5.772 1.00 0.00 C ATOM 896 CG ASP A 54 -13.325 9.712 -5.000 1.00 0.00 C ATOM 897 OD1 ASP A 54 -12.738 9.520 -3.915 1.00 0.00 O ATOM 898 OD2 ASP A 54 -13.449 10.854 -5.498 1.00 0.00 O ATOM 0 H ASP A 54 -14.061 7.703 -3.537 1.00 0.00 H new ATOM 0 HA ASP A 54 -15.948 8.784 -5.166 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -13.116 7.713 -5.729 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -13.962 8.792 -6.821 1.00 0.00 H new ATOM 903 N GLY A 55 -15.458 5.659 -5.944 1.00 0.00 N ATOM 904 CA GLY A 55 -15.586 4.563 -6.889 1.00 0.00 C ATOM 905 C GLY A 55 -14.337 4.409 -7.754 1.00 0.00 C ATOM 906 O GLY A 55 -14.355 3.617 -8.695 1.00 0.00 O ATOM 0 H GLY A 55 -15.174 5.351 -5.014 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -15.769 3.635 -6.347 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -16.452 4.734 -7.529 1.00 0.00 H new ATOM 910 N LYS A 56 -13.273 5.181 -7.511 1.00 0.00 N ATOM 911 CA LYS A 56 -12.023 5.088 -8.267 1.00 0.00 C ATOM 912 C LYS A 56 -11.334 3.790 -7.883 1.00 0.00 C ATOM 913 O LYS A 56 -11.418 3.378 -6.723 1.00 0.00 O ATOM 914 CB LYS A 56 -11.121 6.283 -7.955 1.00 0.00 C ATOM 915 CG LYS A 56 -11.696 7.571 -8.536 1.00 0.00 C ATOM 916 CD LYS A 56 -10.997 8.783 -7.928 1.00 0.00 C ATOM 917 CE LYS A 56 -11.692 10.065 -8.401 1.00 0.00 C ATOM 918 NZ LYS A 56 -11.458 11.223 -7.511 1.00 0.00 N ATOM 0 H LYS A 56 -13.256 5.892 -6.780 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.231 5.099 -9.337 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.008 6.386 -6.876 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -10.126 6.108 -8.364 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -11.573 7.577 -9.619 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.766 7.622 -8.337 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.023 8.723 -6.840 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -9.947 8.796 -8.222 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.342 10.310 -9.404 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.764 9.883 -8.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.583 12.105 -8.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -12.137 11.198 -6.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.489 11.182 -7.135 1.00 0.00 H new ATOM 932 N LYS A 57 -10.657 3.151 -8.833 1.00 0.00 N ATOM 933 CA LYS A 57 -10.070 1.826 -8.638 1.00 0.00 C ATOM 934 C LYS A 57 -8.567 1.952 -8.553 1.00 0.00 C ATOM 935 O LYS A 57 -7.963 2.750 -9.275 1.00 0.00 O ATOM 936 CB LYS A 57 -10.451 0.874 -9.786 1.00 0.00 C ATOM 937 CG LYS A 57 -11.719 0.062 -9.495 1.00 0.00 C ATOM 938 CD LYS A 57 -12.958 0.954 -9.362 1.00 0.00 C ATOM 939 CE LYS A 57 -14.283 0.192 -9.416 1.00 0.00 C ATOM 940 NZ LYS A 57 -14.576 -0.566 -8.182 1.00 0.00 N ATOM 0 H LYS A 57 -10.499 3.538 -9.763 1.00 0.00 H new ATOM 0 HA LYS A 57 -10.460 1.408 -7.710 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.598 1.453 -10.697 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -9.623 0.190 -9.973 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.878 -0.661 -10.295 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -11.582 -0.506 -8.575 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.902 1.498 -8.419 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.945 1.697 -10.160 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.092 0.898 -9.600 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.263 -0.497 -10.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -14.530 -1.586 -8.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.876 -0.324 -7.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -15.529 -0.323 -7.843 1.00 0.00 H new ATOM 954 N TYR A 58 -7.959 1.111 -7.727 1.00 0.00 N ATOM 955 CA TYR A 58 -6.529 1.031 -7.552 1.00 0.00 C ATOM 956 C TYR A 58 -6.186 -0.449 -7.389 1.00 0.00 C ATOM 957 O TYR A 58 -6.862 -1.167 -6.641 1.00 0.00 O ATOM 958 CB TYR A 58 -6.080 1.898 -6.360 1.00 0.00 C ATOM 959 CG TYR A 58 -6.569 3.344 -6.368 1.00 0.00 C ATOM 960 CD1 TYR A 58 -7.883 3.630 -5.954 1.00 0.00 C ATOM 961 CD2 TYR A 58 -5.751 4.403 -6.814 1.00 0.00 C ATOM 962 CE1 TYR A 58 -8.400 4.929 -6.064 1.00 0.00 C ATOM 963 CE2 TYR A 58 -6.246 5.723 -6.868 1.00 0.00 C ATOM 964 CZ TYR A 58 -7.591 5.989 -6.521 1.00 0.00 C ATOM 965 OH TYR A 58 -8.135 7.239 -6.589 1.00 0.00 O ATOM 0 H TYR A 58 -8.471 0.448 -7.145 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.990 1.428 -8.412 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.423 1.424 -5.441 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -4.990 1.903 -6.329 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.499 2.842 -5.548 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -4.734 4.201 -7.118 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.429 5.119 -5.796 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.598 6.531 -7.174 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.463 7.871 -6.920 1.00 0.00 H new ATOM 975 N VAL A 59 -5.179 -0.909 -8.122 1.00 0.00 N ATOM 976 CA VAL A 59 -4.780 -2.303 -8.280 1.00 0.00 C ATOM 977 C VAL A 59 -3.265 -2.270 -8.169 1.00 0.00 C ATOM 978 O VAL A 59 -2.611 -1.579 -8.951 1.00 0.00 O ATOM 979 CB VAL A 59 -5.274 -2.835 -9.640 1.00 0.00 C ATOM 980 CG1 VAL A 59 -4.733 -4.242 -9.905 1.00 0.00 C ATOM 981 CG2 VAL A 59 -6.806 -2.888 -9.707 1.00 0.00 C ATOM 0 H VAL A 59 -4.581 -0.278 -8.656 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.208 -2.975 -7.536 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.905 -2.143 -10.397 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.096 -4.595 -10.870 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -3.643 -4.217 -9.914 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.074 -4.917 -9.120 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -7.115 -3.268 -10.681 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -7.182 -3.547 -8.924 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -7.211 -1.886 -9.563 1.00 0.00 H new ATOM 991 N ILE A 60 -2.730 -2.960 -7.166 1.00 0.00 N ATOM 992 CA ILE A 60 -1.335 -2.854 -6.787 1.00 0.00 C ATOM 993 C ILE A 60 -0.708 -4.234 -6.807 1.00 0.00 C ATOM 994 O ILE A 60 -1.038 -5.092 -5.982 1.00 0.00 O ATOM 995 CB ILE A 60 -1.196 -2.110 -5.452 1.00 0.00 C ATOM 996 CG1 ILE A 60 -2.065 -2.657 -4.299 1.00 0.00 C ATOM 997 CG2 ILE A 60 -1.481 -0.633 -5.706 1.00 0.00 C ATOM 998 CD1 ILE A 60 -1.992 -1.818 -3.022 1.00 0.00 C ATOM 0 H ILE A 60 -3.262 -3.613 -6.591 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.781 -2.251 -7.507 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.176 -2.267 -5.100 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.102 -2.708 -4.630 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.752 -3.676 -4.072 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.389 -0.079 -4.772 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.766 -0.244 -6.431 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.492 -0.520 -6.097 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.628 -2.264 -2.257 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.962 -1.787 -2.665 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.334 -0.805 -3.232 1.00 0.00 H new ATOM 1010 N GLU A 61 0.105 -4.464 -7.829 1.00 0.00 N ATOM 1011 CA GLU A 61 0.944 -5.634 -7.942 1.00 0.00 C ATOM 1012 C GLU A 61 2.318 -5.355 -7.309 1.00 0.00 C ATOM 1013 O GLU A 61 2.624 -4.255 -6.837 1.00 0.00 O ATOM 1014 CB GLU A 61 1.087 -6.034 -9.420 1.00 0.00 C ATOM 1015 CG GLU A 61 -0.216 -6.414 -10.141 1.00 0.00 C ATOM 1016 CD GLU A 61 -0.755 -5.341 -11.090 1.00 0.00 C ATOM 1017 OE1 GLU A 61 -0.994 -4.191 -10.665 1.00 0.00 O ATOM 1018 OE2 GLU A 61 -1.011 -5.664 -12.277 1.00 0.00 O ATOM 0 H GLU A 61 0.197 -3.823 -8.617 1.00 0.00 H new ATOM 0 HA GLU A 61 0.484 -6.465 -7.407 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.549 -5.206 -9.958 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.774 -6.878 -9.483 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.049 -7.330 -10.707 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.978 -6.636 -9.394 1.00 0.00 H new ATOM 1025 N LYS A 62 3.166 -6.383 -7.319 1.00 0.00 N ATOM 1026 CA LYS A 62 4.548 -6.399 -6.854 1.00 0.00 C ATOM 1027 C LYS A 62 5.320 -5.236 -7.482 1.00 0.00 C ATOM 1028 O LYS A 62 5.595 -5.250 -8.688 1.00 0.00 O ATOM 1029 CB LYS A 62 5.114 -7.786 -7.213 1.00 0.00 C ATOM 1030 CG LYS A 62 6.498 -8.087 -6.623 1.00 0.00 C ATOM 1031 CD LYS A 62 6.727 -9.611 -6.627 1.00 0.00 C ATOM 1032 CE LYS A 62 8.017 -10.026 -5.914 1.00 0.00 C ATOM 1033 NZ LYS A 62 9.124 -10.362 -6.825 1.00 0.00 N ATOM 0 H LYS A 62 2.881 -7.293 -7.680 1.00 0.00 H new ATOM 0 HA LYS A 62 4.633 -6.254 -5.777 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.414 -8.548 -6.870 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.171 -7.870 -8.298 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.272 -7.589 -7.207 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.566 -7.699 -5.607 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.880 -10.101 -6.147 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.758 -9.965 -7.657 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.334 -9.216 -5.257 1.00 0.00 H new ATOM 0 HE3 LYS A 62 7.808 -10.887 -5.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.961 -10.632 -6.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.842 -11.155 -7.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.352 -9.536 -7.414 1.00 0.00 H new ATOM 1047 N GLY A 63 5.646 -4.220 -6.685 1.00 0.00 N ATOM 1048 CA GLY A 63 6.456 -3.084 -7.095 1.00 0.00 C ATOM 1049 C GLY A 63 5.702 -1.760 -7.173 1.00 0.00 C ATOM 1050 O GLY A 63 6.364 -0.723 -7.124 1.00 0.00 O ATOM 0 H GLY A 63 5.344 -4.167 -5.712 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.285 -2.974 -6.395 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.890 -3.298 -8.072 1.00 0.00 H new ATOM 1054 N ASP A 64 4.365 -1.744 -7.202 1.00 0.00 N ATOM 1055 CA ASP A 64 3.570 -0.508 -7.225 1.00 0.00 C ATOM 1056 C ASP A 64 3.673 0.169 -5.868 1.00 0.00 C ATOM 1057 O ASP A 64 3.124 -0.338 -4.887 1.00 0.00 O ATOM 1058 CB ASP A 64 2.101 -0.802 -7.541 1.00 0.00 C ATOM 1059 CG ASP A 64 1.908 -1.012 -9.037 1.00 0.00 C ATOM 1060 OD1 ASP A 64 1.668 -0.018 -9.750 1.00 0.00 O ATOM 1061 OD2 ASP A 64 1.994 -2.160 -9.531 1.00 0.00 O ATOM 0 H ASP A 64 3.799 -2.593 -7.210 1.00 0.00 H new ATOM 0 HA ASP A 64 3.960 0.145 -8.006 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.777 -1.690 -6.999 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.477 0.025 -7.201 1.00 0.00 H new ATOM 1066 N LEU A 65 4.488 1.217 -5.746 1.00 0.00 N ATOM 1067 CA LEU A 65 4.644 1.972 -4.514 1.00 0.00 C ATOM 1068 C LEU A 65 3.369 2.765 -4.291 1.00 0.00 C ATOM 1069 O LEU A 65 2.857 3.360 -5.238 1.00 0.00 O ATOM 1070 CB LEU A 65 5.828 2.933 -4.651 1.00 0.00 C ATOM 1071 CG LEU A 65 6.034 3.837 -3.418 1.00 0.00 C ATOM 1072 CD1 LEU A 65 6.700 3.054 -2.280 1.00 0.00 C ATOM 1073 CD2 LEU A 65 6.877 5.047 -3.805 1.00 0.00 C ATOM 0 H LEU A 65 5.063 1.566 -6.513 1.00 0.00 H new ATOM 0 HA LEU A 65 4.829 1.302 -3.674 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.736 2.355 -4.824 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.677 3.560 -5.530 1.00 0.00 H new ATOM 0 HG LEU A 65 5.062 4.182 -3.064 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.837 3.709 -1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.067 2.212 -1.999 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.670 2.684 -2.612 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.021 5.684 -2.932 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.846 4.712 -4.174 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.367 5.611 -4.586 1.00 0.00 H new ATOM 1085 N VAL A 66 2.926 2.869 -3.044 1.00 0.00 N ATOM 1086 CA VAL A 66 1.713 3.577 -2.687 1.00 0.00 C ATOM 1087 C VAL A 66 2.060 4.610 -1.623 1.00 0.00 C ATOM 1088 O VAL A 66 2.901 4.357 -0.758 1.00 0.00 O ATOM 1089 CB VAL A 66 0.667 2.539 -2.224 1.00 0.00 C ATOM 1090 CG1 VAL A 66 -0.711 3.170 -1.999 1.00 0.00 C ATOM 1091 CG2 VAL A 66 0.496 1.402 -3.250 1.00 0.00 C ATOM 0 H VAL A 66 3.409 2.457 -2.245 1.00 0.00 H new ATOM 0 HA VAL A 66 1.279 4.117 -3.529 1.00 0.00 H new ATOM 0 HB VAL A 66 1.050 2.142 -1.284 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.414 2.403 -1.674 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -0.637 3.942 -1.233 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.064 3.615 -2.929 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.248 0.693 -2.887 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.167 1.818 -4.202 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.448 0.890 -3.388 1.00 0.00 H new ATOM 1101 N THR A 67 1.382 5.755 -1.674 1.00 0.00 N ATOM 1102 CA THR A 67 1.229 6.657 -0.549 1.00 0.00 C ATOM 1103 C THR A 67 -0.265 6.964 -0.436 1.00 0.00 C ATOM 1104 O THR A 67 -0.861 7.500 -1.377 1.00 0.00 O ATOM 1105 CB THR A 67 2.101 7.909 -0.721 1.00 0.00 C ATOM 1106 OG1 THR A 67 3.475 7.570 -0.802 1.00 0.00 O ATOM 1107 CG2 THR A 67 1.939 8.895 0.443 1.00 0.00 C ATOM 0 H THR A 67 0.916 6.083 -2.520 1.00 0.00 H new ATOM 0 HA THR A 67 1.576 6.207 0.381 1.00 0.00 H new ATOM 0 HB THR A 67 1.765 8.377 -1.646 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.831 7.430 0.100 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.576 9.764 0.275 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.899 9.214 0.507 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.227 8.408 1.375 1.00 0.00 H new ATOM 1115 N PHE A 68 -0.867 6.591 0.695 1.00 0.00 N ATOM 1116 CA PHE A 68 -2.160 7.099 1.136 1.00 0.00 C ATOM 1117 C PHE A 68 -1.901 8.365 1.956 1.00 0.00 C ATOM 1118 O PHE A 68 -0.871 8.433 2.637 1.00 0.00 O ATOM 1119 CB PHE A 68 -2.882 6.060 2.003 1.00 0.00 C ATOM 1120 CG PHE A 68 -3.204 4.782 1.259 1.00 0.00 C ATOM 1121 CD1 PHE A 68 -4.213 4.770 0.280 1.00 0.00 C ATOM 1122 CD2 PHE A 68 -2.483 3.606 1.524 1.00 0.00 C ATOM 1123 CE1 PHE A 68 -4.487 3.599 -0.446 1.00 0.00 C ATOM 1124 CE2 PHE A 68 -2.743 2.440 0.787 1.00 0.00 C ATOM 1125 CZ PHE A 68 -3.746 2.432 -0.198 1.00 0.00 C ATOM 0 H PHE A 68 -0.459 5.914 1.340 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.792 7.313 0.274 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.261 5.823 2.867 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.807 6.494 2.384 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.781 5.667 0.085 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.728 3.599 2.296 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.266 3.596 -1.194 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.170 1.545 0.978 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.946 1.533 -0.761 1.00 0.00 H new ATOM 1135 N PRO A 69 -2.791 9.368 1.898 1.00 0.00 N ATOM 1136 CA PRO A 69 -2.585 10.627 2.587 1.00 0.00 C ATOM 1137 C PRO A 69 -3.033 10.568 4.047 1.00 0.00 C ATOM 1138 O PRO A 69 -3.652 9.613 4.511 1.00 0.00 O ATOM 1139 CB PRO A 69 -3.452 11.626 1.823 1.00 0.00 C ATOM 1140 CG PRO A 69 -4.670 10.772 1.517 1.00 0.00 C ATOM 1141 CD PRO A 69 -4.040 9.424 1.149 1.00 0.00 C ATOM 0 HA PRO A 69 -1.528 10.894 2.608 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -3.701 12.501 2.424 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.964 11.989 0.918 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -5.335 10.689 2.377 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -5.259 11.183 0.697 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.697 8.596 1.417 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.859 9.354 0.076 1.00 0.00 H new ATOM 1149 N LYS A 70 -2.806 11.688 4.727 1.00 0.00 N ATOM 1150 CA LYS A 70 -3.328 11.986 6.055 1.00 0.00 C ATOM 1151 C LYS A 70 -4.799 12.375 5.904 1.00 0.00 C ATOM 1152 O LYS A 70 -5.106 13.571 5.849 1.00 0.00 O ATOM 1153 CB LYS A 70 -2.439 13.072 6.695 1.00 0.00 C ATOM 1154 CG LYS A 70 -2.836 13.474 8.129 1.00 0.00 C ATOM 1155 CD LYS A 70 -1.725 14.301 8.779 1.00 0.00 C ATOM 1156 CE LYS A 70 -1.943 14.527 10.282 1.00 0.00 C ATOM 1157 NZ LYS A 70 -2.542 15.837 10.622 1.00 0.00 N ATOM 0 H LYS A 70 -2.230 12.442 4.352 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.297 11.131 6.730 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.408 12.718 6.705 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.465 13.960 6.064 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.762 14.049 8.109 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.028 12.581 8.724 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.770 13.798 8.628 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.659 15.267 8.278 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.587 13.736 10.667 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -0.985 14.435 10.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -2.656 15.910 11.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -1.920 16.600 10.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.472 15.923 10.164 1.00 0.00 H new ATOM 1171 N GLY A 71 -5.676 11.375 5.799 1.00 0.00 N ATOM 1172 CA GLY A 71 -7.118 11.525 5.679 1.00 0.00 C ATOM 1173 C GLY A 71 -7.660 10.817 4.439 1.00 0.00 C ATOM 1174 O GLY A 71 -7.883 11.473 3.419 1.00 0.00 O ATOM 0 H GLY A 71 -5.383 10.398 5.796 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.601 11.121 6.569 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.371 12.584 5.633 1.00 0.00 H new ATOM 1178 N LEU A 72 -7.875 9.499 4.499 1.00 0.00 N ATOM 1179 CA LEU A 72 -8.496 8.714 3.428 1.00 0.00 C ATOM 1180 C LEU A 72 -9.285 7.549 4.004 1.00 0.00 C ATOM 1181 O LEU A 72 -8.718 6.757 4.741 1.00 0.00 O ATOM 1182 CB LEU A 72 -7.422 8.240 2.443 1.00 0.00 C ATOM 1183 CG LEU A 72 -8.039 7.448 1.278 1.00 0.00 C ATOM 1184 CD1 LEU A 72 -7.255 7.678 -0.007 1.00 0.00 C ATOM 1185 CD2 LEU A 72 -8.041 5.948 1.515 1.00 0.00 C ATOM 0 H LEU A 72 -7.617 8.937 5.310 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.201 9.343 2.885 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -6.879 9.101 2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.697 7.616 2.965 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.065 7.809 1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.709 7.108 -0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.269 8.739 -0.257 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.224 7.352 0.132 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.489 5.445 0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.017 5.599 1.646 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.619 5.722 2.411 1.00 0.00 H new ATOM 1197 N ARG A 73 -10.555 7.389 3.618 1.00 0.00 N ATOM 1198 CA ARG A 73 -11.439 6.295 4.037 1.00 0.00 C ATOM 1199 C ARG A 73 -11.734 5.417 2.818 1.00 0.00 C ATOM 1200 O ARG A 73 -12.258 5.941 1.830 1.00 0.00 O ATOM 1201 CB ARG A 73 -12.695 6.952 4.661 1.00 0.00 C ATOM 1202 CG ARG A 73 -13.472 6.134 5.706 1.00 0.00 C ATOM 1203 CD ARG A 73 -14.590 5.271 5.118 1.00 0.00 C ATOM 1204 NE ARG A 73 -14.122 3.945 4.717 1.00 0.00 N ATOM 1205 CZ ARG A 73 -14.893 3.021 4.145 1.00 0.00 C ATOM 1206 NH1 ARG A 73 -16.157 3.260 3.822 1.00 0.00 N ATOM 1207 NH2 ARG A 73 -14.388 1.831 3.889 1.00 0.00 N ATOM 0 H ARG A 73 -11.013 8.042 2.982 1.00 0.00 H new ATOM 0 HA ARG A 73 -10.996 5.638 4.785 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.390 7.890 5.125 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.381 7.205 3.852 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -12.773 5.490 6.240 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -13.902 6.816 6.440 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -15.387 5.164 5.854 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -15.019 5.778 4.254 1.00 0.00 H new ATOM 0 HE ARG A 73 -13.143 3.713 4.886 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -16.567 4.175 4.010 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -16.719 2.529 3.385 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -13.418 1.626 4.128 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -14.967 1.115 3.451 1.00 0.00 H new ATOM 1221 N CYS A 74 -11.329 4.140 2.811 1.00 0.00 N ATOM 1222 CA CYS A 74 -11.575 3.233 1.686 1.00 0.00 C ATOM 1223 C CYS A 74 -11.745 1.762 2.112 1.00 0.00 C ATOM 1224 O CYS A 74 -11.619 1.433 3.290 1.00 0.00 O ATOM 1225 CB CYS A 74 -10.464 3.408 0.662 1.00 0.00 C ATOM 1226 SG CYS A 74 -8.887 2.709 1.244 1.00 0.00 S ATOM 0 H CYS A 74 -10.823 3.709 3.584 1.00 0.00 H new ATOM 0 HA CYS A 74 -12.531 3.501 1.236 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -10.752 2.926 -0.272 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -10.333 4.468 0.446 1.00 0.00 H new ATOM 0 HG CYS A 74 -8.955 1.411 1.227 1.00 0.00 H new ATOM 1232 N ARG A 75 -12.042 0.866 1.164 1.00 0.00 N ATOM 1233 CA ARG A 75 -12.055 -0.590 1.356 1.00 0.00 C ATOM 1234 C ARG A 75 -10.656 -1.185 1.274 1.00 0.00 C ATOM 1235 O ARG A 75 -9.731 -0.456 0.948 1.00 0.00 O ATOM 1236 CB ARG A 75 -12.940 -1.257 0.291 1.00 0.00 C ATOM 1237 CG ARG A 75 -13.962 -2.186 0.953 1.00 0.00 C ATOM 1238 CD ARG A 75 -15.378 -1.625 0.975 1.00 0.00 C ATOM 1239 NE ARG A 75 -15.490 -0.177 1.264 1.00 0.00 N ATOM 1240 CZ ARG A 75 -16.636 0.387 1.667 1.00 0.00 C ATOM 1241 NH1 ARG A 75 -17.535 -0.289 2.378 1.00 0.00 N ATOM 1242 NH2 ARG A 75 -16.886 1.652 1.381 1.00 0.00 N ATOM 0 H ARG A 75 -12.287 1.142 0.213 1.00 0.00 H new ATOM 0 HA ARG A 75 -12.455 -0.779 2.352 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.456 -0.494 -0.292 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -12.320 -1.824 -0.404 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.967 -3.140 0.426 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.646 -2.389 1.976 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -15.842 -1.821 0.008 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -15.954 -2.172 1.722 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.665 0.412 1.152 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -17.360 -1.262 2.629 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -18.400 0.166 2.672 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -16.206 2.199 0.853 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -17.759 2.081 1.688 1.00 0.00 H new ATOM 1256 N TRP A 76 -10.475 -2.483 1.484 1.00 0.00 N ATOM 1257 CA TRP A 76 -9.177 -3.140 1.307 1.00 0.00 C ATOM 1258 C TRP A 76 -9.385 -4.641 1.087 1.00 0.00 C ATOM 1259 O TRP A 76 -9.614 -5.393 2.040 1.00 0.00 O ATOM 1260 CB TRP A 76 -8.234 -2.849 2.499 1.00 0.00 C ATOM 1261 CG TRP A 76 -7.036 -2.020 2.144 1.00 0.00 C ATOM 1262 CD1 TRP A 76 -7.016 -0.682 1.952 1.00 0.00 C ATOM 1263 CD2 TRP A 76 -5.659 -2.457 1.950 1.00 0.00 C ATOM 1264 NE1 TRP A 76 -5.787 -0.303 1.461 1.00 0.00 N ATOM 1265 CE2 TRP A 76 -4.890 -1.345 1.499 1.00 0.00 C ATOM 1266 CE3 TRP A 76 -4.971 -3.673 2.132 1.00 0.00 C ATOM 1267 CZ2 TRP A 76 -3.525 -1.442 1.208 1.00 0.00 C ATOM 1268 CZ3 TRP A 76 -3.589 -3.766 1.895 1.00 0.00 C ATOM 1269 CH2 TRP A 76 -2.865 -2.660 1.418 1.00 0.00 C ATOM 0 H TRP A 76 -11.220 -3.113 1.781 1.00 0.00 H new ATOM 0 HA TRP A 76 -8.689 -2.733 0.422 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -8.799 -2.337 3.278 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -7.895 -3.796 2.920 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -7.839 -0.012 2.153 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -5.569 0.631 1.114 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -5.514 -4.547 2.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -2.986 -0.588 0.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -3.077 -4.699 2.082 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -1.808 -2.748 1.215 1.00 0.00 H new ATOM 1280 N LYS A 77 -9.320 -5.095 -0.168 1.00 0.00 N ATOM 1281 CA LYS A 77 -9.482 -6.505 -0.499 1.00 0.00 C ATOM 1282 C LYS A 77 -8.118 -7.082 -0.809 1.00 0.00 C ATOM 1283 O LYS A 77 -7.508 -6.708 -1.810 1.00 0.00 O ATOM 1284 CB LYS A 77 -10.489 -6.687 -1.641 1.00 0.00 C ATOM 1285 CG LYS A 77 -10.770 -8.179 -1.861 1.00 0.00 C ATOM 1286 CD LYS A 77 -11.982 -8.448 -2.756 1.00 0.00 C ATOM 1287 CE LYS A 77 -12.317 -9.947 -2.695 1.00 0.00 C ATOM 1288 NZ LYS A 77 -13.112 -10.413 -3.849 1.00 0.00 N ATOM 0 H LYS A 77 -9.154 -4.495 -0.976 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.899 -7.052 0.347 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.416 -6.165 -1.406 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.097 -6.244 -2.556 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.890 -8.644 -2.305 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.929 -8.657 -0.894 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.835 -7.856 -2.424 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -11.767 -8.150 -3.782 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -11.390 -10.518 -2.646 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.867 -10.153 -1.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -13.305 -11.430 -3.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.011 -9.892 -3.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -12.580 -10.246 -4.727 1.00 0.00 H new ATOM 1302 N VAL A 78 -7.621 -7.958 0.055 1.00 0.00 N ATOM 1303 CA VAL A 78 -6.427 -8.723 -0.204 1.00 0.00 C ATOM 1304 C VAL A 78 -6.907 -9.800 -1.154 1.00 0.00 C ATOM 1305 O VAL A 78 -7.797 -10.570 -0.792 1.00 0.00 O ATOM 1306 CB VAL A 78 -5.883 -9.322 1.108 1.00 0.00 C ATOM 1307 CG1 VAL A 78 -4.441 -9.754 0.891 1.00 0.00 C ATOM 1308 CG2 VAL A 78 -5.969 -8.329 2.277 1.00 0.00 C ATOM 0 H VAL A 78 -8.046 -8.153 0.962 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.609 -8.135 -0.621 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.500 -10.181 1.374 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.046 -10.179 1.813 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.401 -10.502 0.100 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.842 -8.890 0.604 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.575 -8.795 3.180 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.384 -7.439 2.043 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.009 -8.047 2.439 1.00 0.00 H new ATOM 1318 N LEU A 79 -6.395 -9.819 -2.379 1.00 0.00 N ATOM 1319 CA LEU A 79 -6.690 -10.939 -3.257 1.00 0.00 C ATOM 1320 C LEU A 79 -5.666 -12.036 -3.035 1.00 0.00 C ATOM 1321 O LEU A 79 -6.007 -13.196 -3.226 1.00 0.00 O ATOM 1322 CB LEU A 79 -6.809 -10.494 -4.721 1.00 0.00 C ATOM 1323 CG LEU A 79 -8.052 -9.608 -4.961 1.00 0.00 C ATOM 1324 CD1 LEU A 79 -8.160 -9.230 -6.434 1.00 0.00 C ATOM 1325 CD2 LEU A 79 -9.372 -10.304 -4.590 1.00 0.00 C ATOM 0 H LEU A 79 -5.794 -9.097 -2.775 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.668 -11.351 -3.008 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.912 -9.944 -5.006 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.862 -11.373 -5.363 1.00 0.00 H new ATOM 0 HG LEU A 79 -7.912 -8.736 -4.322 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.041 -8.606 -6.586 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.269 -8.679 -6.735 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.248 -10.134 -7.036 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.206 -9.629 -4.782 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.489 -11.206 -5.191 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.358 -10.572 -3.533 1.00 0.00 H new ATOM 1337 N GLU A 80 -4.458 -11.713 -2.567 1.00 0.00 N ATOM 1338 CA GLU A 80 -3.435 -12.723 -2.307 1.00 0.00 C ATOM 1339 C GLU A 80 -2.603 -12.357 -1.085 1.00 0.00 C ATOM 1340 O GLU A 80 -2.410 -11.162 -0.858 1.00 0.00 O ATOM 1341 CB GLU A 80 -2.504 -12.802 -3.528 1.00 0.00 C ATOM 1342 CG GLU A 80 -3.090 -13.587 -4.701 1.00 0.00 C ATOM 1343 CD GLU A 80 -2.969 -15.098 -4.506 1.00 0.00 C ATOM 1344 OE1 GLU A 80 -3.482 -15.663 -3.520 1.00 0.00 O ATOM 1345 OE2 GLU A 80 -2.331 -15.726 -5.380 1.00 0.00 O ATOM 0 H GLU A 80 -4.166 -10.758 -2.361 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.925 -13.679 -2.123 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.270 -11.791 -3.861 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.564 -13.264 -3.227 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.140 -13.322 -4.824 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.579 -13.299 -5.620 1.00 0.00 H new ATOM 1352 N PRO A 81 -2.065 -13.339 -0.332 1.00 0.00 N ATOM 1353 CA PRO A 81 -1.263 -13.090 0.856 1.00 0.00 C ATOM 1354 C PRO A 81 -0.060 -12.242 0.451 1.00 0.00 C ATOM 1355 O PRO A 81 0.777 -12.643 -0.366 1.00 0.00 O ATOM 1356 CB PRO A 81 -0.891 -14.463 1.426 1.00 0.00 C ATOM 1357 CG PRO A 81 -0.949 -15.378 0.207 1.00 0.00 C ATOM 1358 CD PRO A 81 -2.076 -14.767 -0.624 1.00 0.00 C ATOM 0 HA PRO A 81 -1.787 -12.531 1.632 1.00 0.00 H new ATOM 0 HB2 PRO A 81 0.102 -14.456 1.876 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -1.590 -14.780 2.200 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -0.005 -15.387 -0.337 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -1.166 -16.409 0.486 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -1.919 -14.949 -1.687 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.037 -15.211 -0.364 1.00 0.00 H new ATOM 1366 N VAL A 82 -0.038 -11.021 0.972 1.00 0.00 N ATOM 1367 CA VAL A 82 0.780 -9.921 0.492 1.00 0.00 C ATOM 1368 C VAL A 82 1.610 -9.422 1.668 1.00 0.00 C ATOM 1369 O VAL A 82 1.137 -9.356 2.813 1.00 0.00 O ATOM 1370 CB VAL A 82 -0.145 -8.852 -0.155 1.00 0.00 C ATOM 1371 CG1 VAL A 82 -1.148 -8.312 0.859 1.00 0.00 C ATOM 1372 CG2 VAL A 82 0.538 -7.626 -0.787 1.00 0.00 C ATOM 0 H VAL A 82 -0.614 -10.763 1.773 1.00 0.00 H new ATOM 0 HA VAL A 82 1.479 -10.215 -0.291 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.607 -9.413 -0.967 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.783 -7.566 0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.766 -9.130 1.231 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.613 -7.854 1.691 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.220 -6.961 -1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.110 -7.095 -0.026 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.208 -7.952 -1.582 1.00 0.00 H new ATOM 1382 N ARG A 83 2.841 -9.021 1.375 1.00 0.00 N ATOM 1383 CA ARG A 83 3.752 -8.410 2.321 1.00 0.00 C ATOM 1384 C ARG A 83 3.970 -7.002 1.812 1.00 0.00 C ATOM 1385 O ARG A 83 4.530 -6.821 0.732 1.00 0.00 O ATOM 1386 CB ARG A 83 5.049 -9.240 2.405 1.00 0.00 C ATOM 1387 CG ARG A 83 5.050 -10.149 3.643 1.00 0.00 C ATOM 1388 CD ARG A 83 6.225 -11.132 3.657 1.00 0.00 C ATOM 1389 NE ARG A 83 6.392 -11.696 5.003 1.00 0.00 N ATOM 1390 CZ ARG A 83 7.514 -11.813 5.715 1.00 0.00 C ATOM 1391 NH1 ARG A 83 8.711 -11.667 5.156 1.00 0.00 N ATOM 1392 NH2 ARG A 83 7.395 -12.065 7.014 1.00 0.00 N ATOM 0 H ARG A 83 3.241 -9.117 0.441 1.00 0.00 H new ATOM 0 HA ARG A 83 3.364 -8.378 3.339 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.154 -9.847 1.506 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.909 -8.572 2.441 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.088 -9.532 4.541 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.115 -10.707 3.679 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.049 -11.932 2.938 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.139 -10.623 3.351 1.00 0.00 H new ATOM 0 HE ARG A 83 5.543 -12.042 5.450 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.787 -11.460 4.160 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.554 -11.761 5.723 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.470 -12.162 7.432 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.229 -12.162 7.593 1.00 0.00 H new ATOM 1406 N LYS A 84 3.503 -5.996 2.563 1.00 0.00 N ATOM 1407 CA LYS A 84 3.898 -4.618 2.303 1.00 0.00 C ATOM 1408 C LYS A 84 4.708 -4.091 3.469 1.00 0.00 C ATOM 1409 O LYS A 84 4.305 -4.208 4.628 1.00 0.00 O ATOM 1410 CB LYS A 84 2.724 -3.729 1.836 1.00 0.00 C ATOM 1411 CG LYS A 84 1.937 -2.863 2.834 1.00 0.00 C ATOM 1412 CD LYS A 84 1.192 -3.612 3.929 1.00 0.00 C ATOM 1413 CE LYS A 84 -0.062 -2.853 4.412 1.00 0.00 C ATOM 1414 NZ LYS A 84 0.228 -1.672 5.256 1.00 0.00 N ATOM 0 H LYS A 84 2.859 -6.114 3.345 1.00 0.00 H new ATOM 0 HA LYS A 84 4.562 -4.588 1.439 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.117 -3.058 1.072 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.004 -4.384 1.345 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.631 -2.167 3.306 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.216 -2.266 2.276 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.899 -4.594 3.559 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.862 -3.776 4.773 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.635 -2.532 3.542 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.694 -3.540 4.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.501 -1.585 5.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.160 -1.785 5.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.228 -0.815 4.666 1.00 0.00 H new ATOM 1428 N HIS A 85 5.896 -3.592 3.177 1.00 0.00 N ATOM 1429 CA HIS A 85 6.718 -2.849 4.116 1.00 0.00 C ATOM 1430 C HIS A 85 6.054 -1.478 4.156 1.00 0.00 C ATOM 1431 O HIS A 85 5.887 -0.879 3.090 1.00 0.00 O ATOM 1432 CB HIS A 85 8.164 -2.716 3.597 1.00 0.00 C ATOM 1433 CG HIS A 85 9.108 -3.799 4.065 1.00 0.00 C ATOM 1434 ND1 HIS A 85 9.828 -4.687 3.291 1.00 0.00 N ATOM 1435 CD2 HIS A 85 9.451 -4.030 5.367 1.00 0.00 C ATOM 1436 CE1 HIS A 85 10.557 -5.453 4.125 1.00 0.00 C ATOM 1437 NE2 HIS A 85 10.355 -5.095 5.396 1.00 0.00 N ATOM 0 H HIS A 85 6.326 -3.695 2.258 1.00 0.00 H new ATOM 0 HA HIS A 85 6.783 -3.332 5.091 1.00 0.00 H new ATOM 0 HB2 HIS A 85 8.145 -2.716 2.507 1.00 0.00 H new ATOM 0 HB3 HIS A 85 8.559 -1.749 3.909 1.00 0.00 H new ATOM 0 HD2 HIS A 85 9.087 -3.484 6.225 1.00 0.00 H new ATOM 0 HE1 HIS A 85 11.215 -6.249 3.809 1.00 0.00 H new ATOM 0 HE2 HIS A 85 10.777 -5.516 6.224 1.00 0.00 H new ATOM 1445 N TYR A 86 5.646 -0.991 5.326 1.00 0.00 N ATOM 1446 CA TYR A 86 4.941 0.287 5.448 1.00 0.00 C ATOM 1447 C TYR A 86 5.708 1.230 6.367 1.00 0.00 C ATOM 1448 O TYR A 86 6.512 0.772 7.171 1.00 0.00 O ATOM 1449 CB TYR A 86 3.506 0.059 5.950 1.00 0.00 C ATOM 1450 CG TYR A 86 3.373 -0.297 7.420 1.00 0.00 C ATOM 1451 CD1 TYR A 86 3.654 -1.599 7.881 1.00 0.00 C ATOM 1452 CD2 TYR A 86 3.006 0.705 8.339 1.00 0.00 C ATOM 1453 CE1 TYR A 86 3.581 -1.890 9.256 1.00 0.00 C ATOM 1454 CE2 TYR A 86 2.932 0.419 9.712 1.00 0.00 C ATOM 1455 CZ TYR A 86 3.224 -0.880 10.178 1.00 0.00 C ATOM 1456 OH TYR A 86 3.191 -1.151 11.511 1.00 0.00 O ATOM 0 H TYR A 86 5.793 -1.468 6.215 1.00 0.00 H new ATOM 0 HA TYR A 86 4.882 0.754 4.465 1.00 0.00 H new ATOM 0 HB2 TYR A 86 2.926 0.962 5.760 1.00 0.00 H new ATOM 0 HB3 TYR A 86 3.056 -0.739 5.359 1.00 0.00 H new ATOM 0 HD1 TYR A 86 3.925 -2.373 7.179 1.00 0.00 H new ATOM 0 HD2 TYR A 86 2.780 1.700 7.986 1.00 0.00 H new ATOM 0 HE1 TYR A 86 3.798 -2.888 9.608 1.00 0.00 H new ATOM 0 HE2 TYR A 86 2.652 1.193 10.411 1.00 0.00 H new ATOM 0 HH TYR A 86 2.927 -0.345 12.002 1.00 0.00 H new ATOM 1466 N ASN A 87 5.443 2.533 6.286 1.00 0.00 N ATOM 1467 CA ASN A 87 5.867 3.484 7.303 1.00 0.00 C ATOM 1468 C ASN A 87 4.774 4.521 7.493 1.00 0.00 C ATOM 1469 O ASN A 87 4.071 4.846 6.534 1.00 0.00 O ATOM 1470 CB ASN A 87 7.178 4.186 6.917 1.00 0.00 C ATOM 1471 CG ASN A 87 7.900 4.731 8.148 1.00 0.00 C ATOM 1472 OD1 ASN A 87 7.594 4.381 9.290 1.00 0.00 O ATOM 1473 ND2 ASN A 87 8.865 5.608 7.961 1.00 0.00 N ATOM 0 H ASN A 87 4.929 2.955 5.513 1.00 0.00 H new ATOM 0 HA ASN A 87 6.044 2.938 8.229 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.827 3.485 6.393 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.966 5.002 6.226 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.361 5.999 8.762 1.00 0.00 H new ATOM 0 HD22 ASN A 87 9.116 5.896 7.015 1.00 0.00 H new ATOM 1480 N LEU A 88 4.649 5.063 8.702 1.00 0.00 N ATOM 1481 CA LEU A 88 3.666 6.078 9.067 1.00 0.00 C ATOM 1482 C LEU A 88 4.436 7.382 9.261 1.00 0.00 C ATOM 1483 O LEU A 88 5.479 7.363 9.920 1.00 0.00 O ATOM 1484 CB LEU A 88 2.906 5.658 10.342 1.00 0.00 C ATOM 1485 CG LEU A 88 2.275 4.247 10.306 1.00 0.00 C ATOM 1486 CD1 LEU A 88 1.556 3.973 11.630 1.00 0.00 C ATOM 1487 CD2 LEU A 88 1.279 4.007 9.164 1.00 0.00 C ATOM 0 H LEU A 88 5.251 4.798 9.481 1.00 0.00 H new ATOM 0 HA LEU A 88 2.910 6.203 8.291 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.593 5.708 11.187 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.116 6.386 10.530 1.00 0.00 H new ATOM 0 HG LEU A 88 3.111 3.568 10.137 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.112 2.978 11.604 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.271 4.029 12.451 1.00 0.00 H new ATOM 0 HD13 LEU A 88 0.773 4.716 11.779 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.893 2.990 9.226 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.454 4.714 9.246 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.782 4.147 8.207 1.00 0.00 H new ATOM 1499 N PHE A 89 4.002 8.470 8.624 1.00 0.00 N ATOM 1500 CA PHE A 89 4.697 9.752 8.597 1.00 0.00 C ATOM 1501 C PHE A 89 3.714 10.829 8.148 1.00 0.00 C ATOM 1502 O PHE A 89 4.149 11.919 7.714 1.00 0.00 O ATOM 1503 CB PHE A 89 5.937 9.687 7.680 1.00 0.00 C ATOM 1504 CG PHE A 89 5.681 9.681 6.178 1.00 0.00 C ATOM 1505 CD1 PHE A 89 4.873 8.695 5.578 1.00 0.00 C ATOM 1506 CD2 PHE A 89 6.241 10.691 5.372 1.00 0.00 C ATOM 1507 CE1 PHE A 89 4.582 8.763 4.206 1.00 0.00 C ATOM 1508 CE2 PHE A 89 5.989 10.728 3.989 1.00 0.00 C ATOM 1509 CZ PHE A 89 5.139 9.776 3.408 1.00 0.00 C ATOM 0 H PHE A 89 3.129 8.481 8.097 1.00 0.00 H new ATOM 0 HA PHE A 89 5.061 9.999 9.594 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.576 10.539 7.912 1.00 0.00 H new ATOM 0 HB3 PHE A 89 6.499 8.788 7.932 1.00 0.00 H new ATOM 0 HD1 PHE A 89 4.477 7.886 6.174 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.871 11.445 5.821 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.925 8.031 3.761 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.449 11.488 3.375 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.914 9.821 2.353 1.00 0.00 H new