USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 725 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 10 GLN : amide:sc= -0.0333 X(o=0.82,f=0.89) USER MOD Set 1.2: A 14 ASN : amide:sc= 0.854 K(o=0.82,f=-0.37) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.353) USER MOD Single : A 17 ASN : amide:sc=-0.00443 K(o=-0.0044,f=1) USER MOD Single : A 19 LYS NZ :NH3+ 153:sc= 0.391 (180deg=0.0792) USER MOD Single : A 20 CYS SG : rot -160:sc= -1.5 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.418 K(o=-0.42,f=-1.6!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 90:sc= -1.34 USER MOD Single : A 59 SER OG : rot -56:sc= 0.355 USER MOD Single : A 60 THR OG1 : rot 51:sc= 0.121 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.0679 K(o=-0.068,f=-1.8!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -140:sc= -0.108 (180deg=-0.707) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl -115:sc= -2.88! (180deg=-6.1!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.00454 USER MOD Single : A 91 LYS NZ :NH3+ -143:sc= 1.06 (180deg=0.189) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 0.566 -10.385 3.142 1.00 0.00 N ATOM 60 CA GLY A 7 0.678 -10.365 1.693 1.00 0.00 C ATOM 61 C GLY A 7 0.050 -9.096 1.113 1.00 0.00 C ATOM 62 O GLY A 7 0.736 -8.093 0.920 1.00 0.00 O ATOM 0 HA2 GLY A 7 1.728 -10.420 1.405 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.186 -11.243 1.274 1.00 0.00 H new ATOM 66 N LEU A 8 -1.246 -9.182 0.850 1.00 0.00 N ATOM 67 CA LEU A 8 -1.973 -8.053 0.296 1.00 0.00 C ATOM 68 C LEU A 8 -1.488 -6.763 0.960 1.00 0.00 C ATOM 69 O LEU A 8 -1.167 -5.791 0.277 1.00 0.00 O ATOM 70 CB LEU A 8 -3.482 -8.277 0.415 1.00 0.00 C ATOM 71 CG LEU A 8 -4.023 -9.555 -0.229 1.00 0.00 C ATOM 72 CD1 LEU A 8 -3.214 -9.928 -1.472 1.00 0.00 C ATOM 73 CD2 LEU A 8 -4.077 -10.699 0.785 1.00 0.00 C ATOM 0 H LEU A 8 -1.811 -10.016 1.010 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.772 -7.957 -0.771 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.745 -8.287 1.473 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.992 -7.424 -0.033 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.045 -9.366 -0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.620 -10.840 -1.910 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.272 -9.119 -2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.173 -10.091 -1.193 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -4.465 -11.596 0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.074 -10.896 1.165 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.730 -10.421 1.612 1.00 0.00 H new ATOM 85 N LYS A 9 -1.451 -6.795 2.284 1.00 0.00 N ATOM 86 CA LYS A 9 -1.011 -5.640 3.049 1.00 0.00 C ATOM 87 C LYS A 9 0.172 -4.983 2.335 1.00 0.00 C ATOM 88 O LYS A 9 0.106 -3.812 1.966 1.00 0.00 O ATOM 89 CB LYS A 9 -0.712 -6.038 4.496 1.00 0.00 C ATOM 90 CG LYS A 9 -1.728 -5.415 5.456 1.00 0.00 C ATOM 91 CD LYS A 9 -1.454 -5.845 6.898 1.00 0.00 C ATOM 92 CE LYS A 9 -2.661 -6.575 7.492 1.00 0.00 C ATOM 93 NZ LYS A 9 -2.405 -6.937 8.903 1.00 0.00 N ATOM 0 H LYS A 9 -1.718 -7.603 2.847 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.805 -4.895 3.105 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.735 -7.124 4.591 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.294 -5.716 4.765 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.685 -4.328 5.382 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.736 -5.714 5.169 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.580 -6.496 6.927 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.220 -4.970 7.504 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.545 -5.940 7.428 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.871 -7.474 6.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.234 -7.431 9.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.574 -7.560 8.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.227 -6.074 9.456 1.00 0.00 H new ATOM 107 N GLN A 10 1.228 -5.765 2.164 1.00 0.00 N ATOM 108 CA GLN A 10 2.424 -5.273 1.501 1.00 0.00 C ATOM 109 C GLN A 10 2.076 -4.725 0.116 1.00 0.00 C ATOM 110 O GLN A 10 2.462 -3.608 -0.228 1.00 0.00 O ATOM 111 CB GLN A 10 3.488 -6.369 1.406 1.00 0.00 C ATOM 112 CG GLN A 10 4.852 -5.850 1.864 1.00 0.00 C ATOM 113 CD GLN A 10 5.980 -6.463 1.032 1.00 0.00 C ATOM 114 OE1 GLN A 10 6.660 -7.387 1.446 1.00 0.00 O ATOM 115 NE2 GLN A 10 6.140 -5.899 -0.162 1.00 0.00 N ATOM 0 H GLN A 10 1.280 -6.736 2.473 1.00 0.00 H new ATOM 0 HA GLN A 10 2.839 -4.460 2.098 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.194 -7.220 2.020 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.557 -6.726 0.378 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.880 -4.764 1.776 1.00 0.00 H new ATOM 0 HG3 GLN A 10 5.001 -6.089 2.917 1.00 0.00 H new ATOM 0 HE21 GLN A 10 5.536 -5.128 -0.447 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.867 -6.237 -0.793 1.00 0.00 H new ATOM 124 N LYS A 11 1.351 -5.535 -0.641 1.00 0.00 N ATOM 125 CA LYS A 11 0.947 -5.145 -1.981 1.00 0.00 C ATOM 126 C LYS A 11 0.141 -3.846 -1.908 1.00 0.00 C ATOM 127 O LYS A 11 0.622 -2.789 -2.313 1.00 0.00 O ATOM 128 CB LYS A 11 0.206 -6.291 -2.672 1.00 0.00 C ATOM 129 CG LYS A 11 1.165 -7.429 -3.028 1.00 0.00 C ATOM 130 CD LYS A 11 0.633 -8.772 -2.524 1.00 0.00 C ATOM 131 CE LYS A 11 0.484 -9.769 -3.675 1.00 0.00 C ATOM 132 NZ LYS A 11 -0.937 -9.902 -4.066 1.00 0.00 N ATOM 0 H LYS A 11 1.033 -6.460 -0.352 1.00 0.00 H new ATOM 0 HA LYS A 11 1.822 -4.944 -2.599 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -0.582 -6.666 -2.018 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.278 -5.923 -3.576 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.301 -7.470 -4.109 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.144 -7.234 -2.591 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.311 -9.177 -1.773 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.331 -8.626 -2.037 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.073 -9.437 -4.530 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.877 -10.740 -3.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.998 -10.310 -5.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.426 -10.525 -3.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.388 -8.965 -4.060 1.00 0.00 H new ATOM 146 N VAL A 12 -1.072 -3.969 -1.389 1.00 0.00 N ATOM 147 CA VAL A 12 -1.949 -2.818 -1.258 1.00 0.00 C ATOM 148 C VAL A 12 -1.141 -1.621 -0.753 1.00 0.00 C ATOM 149 O VAL A 12 -1.336 -0.497 -1.214 1.00 0.00 O ATOM 150 CB VAL A 12 -3.134 -3.164 -0.354 1.00 0.00 C ATOM 151 CG1 VAL A 12 -4.086 -1.973 -0.218 1.00 0.00 C ATOM 152 CG2 VAL A 12 -3.873 -4.400 -0.868 1.00 0.00 C ATOM 0 H VAL A 12 -1.468 -4.848 -1.054 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.366 -2.543 -2.227 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.743 -3.395 0.637 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.919 -2.245 0.429 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.551 -1.128 0.215 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.466 -1.697 -1.202 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.711 -4.624 -0.207 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.246 -4.209 -1.874 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.190 -5.249 -0.889 1.00 0.00 H new ATOM 162 N GLU A 13 -0.251 -1.903 0.186 1.00 0.00 N ATOM 163 CA GLU A 13 0.588 -0.863 0.759 1.00 0.00 C ATOM 164 C GLU A 13 1.343 -0.122 -0.346 1.00 0.00 C ATOM 165 O GLU A 13 1.266 1.102 -0.442 1.00 0.00 O ATOM 166 CB GLU A 13 1.556 -1.446 1.790 1.00 0.00 C ATOM 167 CG GLU A 13 0.957 -1.393 3.197 1.00 0.00 C ATOM 168 CD GLU A 13 1.111 0.002 3.806 1.00 0.00 C ATOM 169 OE1 GLU A 13 0.838 0.976 3.070 1.00 0.00 O ATOM 170 OE2 GLU A 13 1.497 0.064 4.993 1.00 0.00 O ATOM 0 H GLU A 13 -0.092 -2.836 0.565 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.053 -0.149 1.275 1.00 0.00 H new ATOM 0 HB2 GLU A 13 1.791 -2.478 1.530 1.00 0.00 H new ATOM 0 HB3 GLU A 13 2.493 -0.890 1.769 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.099 -1.662 3.157 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.449 -2.128 3.834 1.00 0.00 H new ATOM 177 N ASN A 14 2.056 -0.895 -1.152 1.00 0.00 N ATOM 178 CA ASN A 14 2.825 -0.327 -2.246 1.00 0.00 C ATOM 179 C ASN A 14 1.871 0.326 -3.249 1.00 0.00 C ATOM 180 O ASN A 14 2.132 1.426 -3.734 1.00 0.00 O ATOM 181 CB ASN A 14 3.617 -1.409 -2.983 1.00 0.00 C ATOM 182 CG ASN A 14 4.854 -1.822 -2.184 1.00 0.00 C ATOM 183 OD1 ASN A 14 5.908 -1.212 -2.261 1.00 0.00 O ATOM 184 ND2 ASN A 14 4.668 -2.891 -1.414 1.00 0.00 N ATOM 0 H ASN A 14 2.117 -1.910 -1.069 1.00 0.00 H new ATOM 0 HA ASN A 14 3.517 0.404 -1.828 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.982 -2.278 -3.152 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.919 -1.040 -3.963 1.00 0.00 H new ATOM 0 HD21 ASN A 14 5.434 -3.247 -0.841 1.00 0.00 H new ATOM 0 HD22 ASN A 14 3.760 -3.355 -1.396 1.00 0.00 H new ATOM 191 N LEU A 15 0.785 -0.379 -3.530 1.00 0.00 N ATOM 192 CA LEU A 15 -0.208 0.118 -4.466 1.00 0.00 C ATOM 193 C LEU A 15 -0.430 1.612 -4.223 1.00 0.00 C ATOM 194 O LEU A 15 -0.098 2.439 -5.071 1.00 0.00 O ATOM 195 CB LEU A 15 -1.489 -0.716 -4.381 1.00 0.00 C ATOM 196 CG LEU A 15 -2.796 0.034 -4.646 1.00 0.00 C ATOM 197 CD1 LEU A 15 -2.850 0.551 -6.085 1.00 0.00 C ATOM 198 CD2 LEU A 15 -4.007 -0.837 -4.304 1.00 0.00 C ATOM 0 H LEU A 15 0.571 -1.291 -3.126 1.00 0.00 H new ATOM 0 HA LEU A 15 0.148 0.011 -5.491 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.413 -1.536 -5.095 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.544 -1.161 -3.388 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.829 0.904 -3.990 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.789 1.080 -6.247 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.016 1.231 -6.259 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.783 -0.289 -6.776 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.923 -0.280 -4.501 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.991 -1.739 -4.916 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.970 -1.113 -3.250 1.00 0.00 H new ATOM 210 N PHE A 16 -0.990 1.913 -3.060 1.00 0.00 N ATOM 211 CA PHE A 16 -1.259 3.293 -2.694 1.00 0.00 C ATOM 212 C PHE A 16 -0.022 4.168 -2.905 1.00 0.00 C ATOM 213 O PHE A 16 -0.021 5.054 -3.758 1.00 0.00 O ATOM 214 CB PHE A 16 -1.627 3.298 -1.209 1.00 0.00 C ATOM 215 CG PHE A 16 -2.859 2.457 -0.870 1.00 0.00 C ATOM 216 CD1 PHE A 16 -3.841 2.286 -1.794 1.00 0.00 C ATOM 217 CD2 PHE A 16 -2.971 1.880 0.357 1.00 0.00 C ATOM 218 CE1 PHE A 16 -4.985 1.506 -1.479 1.00 0.00 C ATOM 219 CE2 PHE A 16 -4.115 1.100 0.672 1.00 0.00 C ATOM 220 CZ PHE A 16 -5.098 0.929 -0.253 1.00 0.00 C ATOM 0 H PHE A 16 -1.265 1.225 -2.359 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.062 3.692 -3.313 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -0.778 2.928 -0.634 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -1.803 4.326 -0.892 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.751 2.744 -2.768 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.190 2.015 1.091 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -5.765 1.371 -2.213 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.205 0.642 1.646 1.00 0.00 H new ATOM 0 HZ PHE A 16 -5.968 0.335 -0.014 1.00 0.00 H new ATOM 230 N ASN A 17 1.002 3.888 -2.112 1.00 0.00 N ATOM 231 CA ASN A 17 2.244 4.639 -2.201 1.00 0.00 C ATOM 232 C ASN A 17 2.584 4.882 -3.673 1.00 0.00 C ATOM 233 O ASN A 17 3.023 5.970 -4.041 1.00 0.00 O ATOM 234 CB ASN A 17 3.402 3.864 -1.570 1.00 0.00 C ATOM 235 CG ASN A 17 3.363 3.966 -0.044 1.00 0.00 C ATOM 236 OD1 ASN A 17 2.576 3.318 0.627 1.00 0.00 O ATOM 237 ND2 ASN A 17 4.253 4.813 0.465 1.00 0.00 N ATOM 0 H ASN A 17 0.998 3.152 -1.405 1.00 0.00 H new ATOM 0 HA ASN A 17 2.108 5.581 -1.669 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.350 2.817 -1.870 1.00 0.00 H new ATOM 0 HB3 ASN A 17 4.350 4.254 -1.940 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.306 4.952 1.474 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.883 5.324 -0.154 1.00 0.00 H new ATOM 244 N GLU A 18 2.368 3.850 -4.475 1.00 0.00 N ATOM 245 CA GLU A 18 2.646 3.937 -5.899 1.00 0.00 C ATOM 246 C GLU A 18 1.689 4.927 -6.567 1.00 0.00 C ATOM 247 O GLU A 18 2.118 5.960 -7.079 1.00 0.00 O ATOM 248 CB GLU A 18 2.559 2.560 -6.560 1.00 0.00 C ATOM 249 CG GLU A 18 3.954 1.987 -6.819 1.00 0.00 C ATOM 250 CD GLU A 18 4.206 1.815 -8.318 1.00 0.00 C ATOM 251 OE1 GLU A 18 3.485 0.994 -8.925 1.00 0.00 O ATOM 252 OE2 GLU A 18 5.114 2.509 -8.824 1.00 0.00 O ATOM 0 H GLU A 18 2.004 2.949 -4.166 1.00 0.00 H new ATOM 0 HA GLU A 18 3.665 4.302 -6.029 1.00 0.00 H new ATOM 0 HB2 GLU A 18 1.996 1.880 -5.920 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.014 2.638 -7.500 1.00 0.00 H new ATOM 0 HG2 GLU A 18 4.708 2.649 -6.393 1.00 0.00 H new ATOM 0 HG3 GLU A 18 4.055 1.025 -6.317 1.00 0.00 H new ATOM 259 N LYS A 19 0.412 4.577 -6.539 1.00 0.00 N ATOM 260 CA LYS A 19 -0.609 5.422 -7.135 1.00 0.00 C ATOM 261 C LYS A 19 -0.359 6.877 -6.733 1.00 0.00 C ATOM 262 O LYS A 19 -0.462 7.780 -7.562 1.00 0.00 O ATOM 263 CB LYS A 19 -2.005 4.914 -6.771 1.00 0.00 C ATOM 264 CG LYS A 19 -2.237 3.505 -7.320 1.00 0.00 C ATOM 265 CD LYS A 19 -2.449 3.534 -8.835 1.00 0.00 C ATOM 266 CE LYS A 19 -3.818 2.961 -9.207 1.00 0.00 C ATOM 267 NZ LYS A 19 -3.803 2.444 -10.594 1.00 0.00 N ATOM 0 H LYS A 19 0.061 3.720 -6.113 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.553 5.377 -8.223 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.123 4.910 -5.687 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.758 5.593 -7.171 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.382 2.873 -7.081 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.107 3.061 -6.836 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -2.369 4.559 -9.198 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.664 2.959 -9.327 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.084 2.160 -8.517 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.581 3.733 -9.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.511 1.688 -10.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.028 3.215 -11.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.860 2.065 -10.813 1.00 0.00 H new ATOM 281 N CYS A 20 -0.035 7.059 -5.461 1.00 0.00 N ATOM 282 CA CYS A 20 0.230 8.388 -4.939 1.00 0.00 C ATOM 283 C CYS A 20 1.081 9.145 -5.961 1.00 0.00 C ATOM 284 O CYS A 20 0.606 10.087 -6.593 1.00 0.00 O ATOM 285 CB CYS A 20 0.903 8.333 -3.566 1.00 0.00 C ATOM 286 SG CYS A 20 1.200 10.029 -2.946 1.00 0.00 S ATOM 0 H CYS A 20 0.050 6.307 -4.777 1.00 0.00 H new ATOM 0 HA CYS A 20 -0.712 8.916 -4.789 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.273 7.786 -2.865 1.00 0.00 H new ATOM 0 HB3 CYS A 20 1.847 7.792 -3.636 1.00 0.00 H new ATOM 0 HG CYS A 20 2.113 9.999 -2.021 1.00 0.00 H new ATOM 292 N GLY A 21 2.324 8.704 -6.091 1.00 0.00 N ATOM 293 CA GLY A 21 3.245 9.328 -7.025 1.00 0.00 C ATOM 294 C GLY A 21 2.609 9.470 -8.410 1.00 0.00 C ATOM 295 O GLY A 21 2.815 10.473 -9.091 1.00 0.00 O ATOM 0 H GLY A 21 2.714 7.922 -5.565 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.537 10.310 -6.652 1.00 0.00 H new ATOM 0 HA3 GLY A 21 4.154 8.732 -7.098 1.00 0.00 H new ATOM 299 N GLU A 22 1.850 8.451 -8.785 1.00 0.00 N ATOM 300 CA GLU A 22 1.183 8.450 -10.076 1.00 0.00 C ATOM 301 C GLU A 22 0.347 9.720 -10.243 1.00 0.00 C ATOM 302 O GLU A 22 0.439 10.398 -11.265 1.00 0.00 O ATOM 303 CB GLU A 22 0.319 7.198 -10.245 1.00 0.00 C ATOM 304 CG GLU A 22 0.477 6.609 -11.648 1.00 0.00 C ATOM 305 CD GLU A 22 -0.707 6.988 -12.539 1.00 0.00 C ATOM 306 OE1 GLU A 22 -1.851 6.756 -12.092 1.00 0.00 O ATOM 307 OE2 GLU A 22 -0.442 7.503 -13.647 1.00 0.00 O ATOM 0 H GLU A 22 1.682 7.620 -8.217 1.00 0.00 H new ATOM 0 HA GLU A 22 1.944 8.435 -10.856 1.00 0.00 H new ATOM 0 HB2 GLU A 22 0.601 6.454 -9.500 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.727 7.447 -10.067 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.403 6.970 -12.095 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.555 5.524 -11.584 1.00 0.00 H new ATOM 314 N ALA A 23 -0.449 10.004 -9.222 1.00 0.00 N ATOM 315 CA ALA A 23 -1.301 11.181 -9.243 1.00 0.00 C ATOM 316 C ALA A 23 -0.450 12.416 -9.545 1.00 0.00 C ATOM 317 O ALA A 23 -0.768 13.188 -10.449 1.00 0.00 O ATOM 318 CB ALA A 23 -2.044 11.297 -7.911 1.00 0.00 C ATOM 0 H ALA A 23 -0.522 9.440 -8.376 1.00 0.00 H new ATOM 0 HA ALA A 23 -2.052 11.097 -10.029 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.683 12.180 -7.927 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.656 10.408 -7.757 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.323 11.386 -7.099 1.00 0.00 H new ATOM 324 N LEU A 24 0.616 12.565 -8.772 1.00 0.00 N ATOM 325 CA LEU A 24 1.515 13.693 -8.945 1.00 0.00 C ATOM 326 C LEU A 24 2.155 13.621 -10.333 1.00 0.00 C ATOM 327 O LEU A 24 2.654 14.623 -10.843 1.00 0.00 O ATOM 328 CB LEU A 24 2.531 13.749 -7.802 1.00 0.00 C ATOM 329 CG LEU A 24 1.975 14.131 -6.429 1.00 0.00 C ATOM 330 CD1 LEU A 24 1.543 15.599 -6.401 1.00 0.00 C ATOM 331 CD2 LEU A 24 0.839 13.192 -6.016 1.00 0.00 C ATOM 0 H LEU A 24 0.877 11.923 -8.024 1.00 0.00 H new ATOM 0 HA LEU A 24 0.962 14.631 -8.896 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.010 12.773 -7.720 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.309 14.464 -8.069 1.00 0.00 H new ATOM 0 HG LEU A 24 2.772 14.015 -5.694 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.152 15.844 -5.414 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.401 16.235 -6.620 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.768 15.765 -7.150 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.462 13.486 -5.036 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.033 13.252 -6.748 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.212 12.169 -5.969 1.00 0.00 H new ATOM 343 N GLY A 25 2.118 12.426 -10.905 1.00 0.00 N ATOM 344 CA GLY A 25 2.688 12.211 -12.224 1.00 0.00 C ATOM 345 C GLY A 25 4.150 11.771 -12.125 1.00 0.00 C ATOM 346 O GLY A 25 4.967 12.126 -12.973 1.00 0.00 O ATOM 0 H GLY A 25 1.702 11.597 -10.479 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.112 11.453 -12.754 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.620 13.129 -12.808 1.00 0.00 H new ATOM 350 N LEU A 26 4.435 11.006 -11.082 1.00 0.00 N ATOM 351 CA LEU A 26 5.784 10.514 -10.860 1.00 0.00 C ATOM 352 C LEU A 26 5.868 9.052 -11.303 1.00 0.00 C ATOM 353 O LEU A 26 4.844 8.406 -11.524 1.00 0.00 O ATOM 354 CB LEU A 26 6.206 10.742 -9.407 1.00 0.00 C ATOM 355 CG LEU A 26 6.186 12.193 -8.923 1.00 0.00 C ATOM 356 CD1 LEU A 26 6.433 12.272 -7.416 1.00 0.00 C ATOM 357 CD2 LEU A 26 7.181 13.048 -9.712 1.00 0.00 C ATOM 0 H LEU A 26 3.754 10.714 -10.381 1.00 0.00 H new ATOM 0 HA LEU A 26 6.498 11.073 -11.466 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.551 10.156 -8.763 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.215 10.350 -9.277 1.00 0.00 H new ATOM 0 HG LEU A 26 5.192 12.601 -9.108 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.414 13.314 -7.098 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.655 11.718 -6.890 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.406 11.840 -7.184 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.147 14.075 -9.348 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.187 12.650 -9.581 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.918 13.029 -10.770 1.00 0.00 H new ATOM 369 N LYS A 27 7.097 8.571 -11.418 1.00 0.00 N ATOM 370 CA LYS A 27 7.328 7.197 -11.830 1.00 0.00 C ATOM 371 C LYS A 27 7.730 6.365 -10.611 1.00 0.00 C ATOM 372 O LYS A 27 8.124 5.208 -10.748 1.00 0.00 O ATOM 373 CB LYS A 27 8.344 7.144 -12.973 1.00 0.00 C ATOM 374 CG LYS A 27 7.749 6.460 -14.205 1.00 0.00 C ATOM 375 CD LYS A 27 8.458 5.135 -14.493 1.00 0.00 C ATOM 376 CE LYS A 27 7.452 4.044 -14.865 1.00 0.00 C ATOM 377 NZ LYS A 27 7.546 3.722 -16.307 1.00 0.00 N ATOM 0 H LYS A 27 7.944 9.109 -11.233 1.00 0.00 H new ATOM 0 HA LYS A 27 6.412 6.759 -12.228 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.659 8.155 -13.231 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.234 6.605 -12.648 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.685 6.281 -14.048 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.837 7.119 -15.069 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.171 5.269 -15.306 1.00 0.00 H new ATOM 0 HD3 LYS A 27 9.028 4.826 -13.617 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.642 3.149 -14.273 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.442 4.376 -14.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.857 2.980 -16.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.342 4.574 -16.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.505 3.385 -16.526 1.00 0.00 H new ATOM 391 N GLN A 28 7.616 6.986 -9.447 1.00 0.00 N ATOM 392 CA GLN A 28 7.963 6.317 -8.204 1.00 0.00 C ATOM 393 C GLN A 28 6.802 6.407 -7.211 1.00 0.00 C ATOM 394 O GLN A 28 5.736 6.923 -7.542 1.00 0.00 O ATOM 395 CB GLN A 28 9.243 6.902 -7.605 1.00 0.00 C ATOM 396 CG GLN A 28 9.084 8.397 -7.324 1.00 0.00 C ATOM 397 CD GLN A 28 10.254 9.192 -7.908 1.00 0.00 C ATOM 398 OE1 GLN A 28 11.317 8.664 -8.191 1.00 0.00 O ATOM 399 NE2 GLN A 28 10.000 10.487 -8.072 1.00 0.00 N ATOM 0 H GLN A 28 7.288 7.946 -9.338 1.00 0.00 H new ATOM 0 HA GLN A 28 8.150 5.265 -8.420 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.488 6.379 -6.681 1.00 0.00 H new ATOM 0 HB3 GLN A 28 10.075 6.744 -8.291 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.147 8.754 -7.753 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.027 8.564 -6.248 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.088 10.864 -7.814 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.717 11.103 -8.456 1.00 0.00 H new ATOM 408 N ALA A 29 7.049 5.896 -6.014 1.00 0.00 N ATOM 409 CA ALA A 29 6.038 5.912 -4.971 1.00 0.00 C ATOM 410 C ALA A 29 6.194 7.184 -4.134 1.00 0.00 C ATOM 411 O ALA A 29 7.239 7.830 -4.171 1.00 0.00 O ATOM 412 CB ALA A 29 6.154 4.641 -4.127 1.00 0.00 C ATOM 0 H ALA A 29 7.935 5.468 -5.743 1.00 0.00 H new ATOM 0 HA ALA A 29 5.039 5.924 -5.406 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.395 4.653 -3.344 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.006 3.768 -4.762 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.144 4.595 -3.672 1.00 0.00 H new ATOM 418 N VAL A 30 5.138 7.504 -3.400 1.00 0.00 N ATOM 419 CA VAL A 30 5.145 8.687 -2.556 1.00 0.00 C ATOM 420 C VAL A 30 4.275 8.434 -1.324 1.00 0.00 C ATOM 421 O VAL A 30 3.110 8.060 -1.448 1.00 0.00 O ATOM 422 CB VAL A 30 4.699 9.908 -3.363 1.00 0.00 C ATOM 423 CG1 VAL A 30 4.712 11.171 -2.499 1.00 0.00 C ATOM 424 CG2 VAL A 30 5.566 10.088 -4.610 1.00 0.00 C ATOM 0 H VAL A 30 4.272 6.965 -3.372 1.00 0.00 H new ATOM 0 HA VAL A 30 6.154 8.899 -2.203 1.00 0.00 H new ATOM 0 HB VAL A 30 3.674 9.736 -3.690 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.391 12.024 -3.097 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.033 11.042 -1.656 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.722 11.348 -2.128 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.228 10.963 -5.165 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.606 10.226 -4.313 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.484 9.203 -5.241 1.00 0.00 H new ATOM 434 N LYS A 31 4.874 8.648 -0.162 1.00 0.00 N ATOM 435 CA LYS A 31 4.168 8.447 1.093 1.00 0.00 C ATOM 436 C LYS A 31 2.769 9.059 0.989 1.00 0.00 C ATOM 437 O LYS A 31 2.628 10.252 0.726 1.00 0.00 O ATOM 438 CB LYS A 31 4.991 8.989 2.263 1.00 0.00 C ATOM 439 CG LYS A 31 4.974 8.015 3.443 1.00 0.00 C ATOM 440 CD LYS A 31 5.024 8.765 4.775 1.00 0.00 C ATOM 441 CE LYS A 31 6.468 9.046 5.193 1.00 0.00 C ATOM 442 NZ LYS A 31 6.705 8.584 6.579 1.00 0.00 N ATOM 0 H LYS A 31 5.840 8.959 -0.063 1.00 0.00 H new ATOM 0 HA LYS A 31 4.037 7.383 1.291 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.019 9.159 1.942 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.592 9.953 2.577 1.00 0.00 H new ATOM 0 HG2 LYS A 31 4.073 7.402 3.400 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.824 7.337 3.371 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.478 9.704 4.688 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.526 8.177 5.546 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.154 8.542 4.513 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.673 10.114 5.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.690 8.782 6.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.063 9.084 7.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.529 7.561 6.639 1.00 0.00 H new ATOM 456 N VAL A 32 1.771 8.213 1.201 1.00 0.00 N ATOM 457 CA VAL A 32 0.389 8.656 1.134 1.00 0.00 C ATOM 458 C VAL A 32 0.054 9.459 2.392 1.00 0.00 C ATOM 459 O VAL A 32 0.047 8.917 3.496 1.00 0.00 O ATOM 460 CB VAL A 32 -0.536 7.454 0.929 1.00 0.00 C ATOM 461 CG1 VAL A 32 -2.004 7.861 1.070 1.00 0.00 C ATOM 462 CG2 VAL A 32 -0.279 6.789 -0.425 1.00 0.00 C ATOM 0 H VAL A 32 1.892 7.224 1.419 1.00 0.00 H new ATOM 0 HA VAL A 32 0.240 9.315 0.278 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.315 6.725 1.708 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.640 6.988 0.920 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.175 8.267 2.067 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.245 8.618 0.324 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.949 5.938 -0.545 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.459 7.509 -1.224 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.755 6.446 -0.472 1.00 0.00 H new ATOM 472 N PRO A 33 -0.222 10.774 2.178 1.00 0.00 N ATOM 473 CA PRO A 33 -0.556 11.658 3.281 1.00 0.00 C ATOM 474 C PRO A 33 -1.982 11.404 3.774 1.00 0.00 C ATOM 475 O PRO A 33 -2.840 12.280 3.682 1.00 0.00 O ATOM 476 CB PRO A 33 -0.359 13.062 2.734 1.00 0.00 C ATOM 477 CG PRO A 33 -0.372 12.925 1.220 1.00 0.00 C ATOM 478 CD PRO A 33 -0.222 11.451 0.884 1.00 0.00 C ATOM 0 HA PRO A 33 0.073 11.494 4.156 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.153 13.728 3.073 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.583 13.487 3.080 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.302 13.317 0.809 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.440 13.502 0.778 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.041 11.103 0.255 1.00 0.00 H new ATOM 0 HD3 PRO A 33 0.702 11.261 0.338 1.00 0.00 H new ATOM 486 N PHE A 34 -2.191 10.200 4.287 1.00 0.00 N ATOM 487 CA PHE A 34 -3.498 9.819 4.795 1.00 0.00 C ATOM 488 C PHE A 34 -4.150 10.978 5.553 1.00 0.00 C ATOM 489 O PHE A 34 -5.321 11.286 5.334 1.00 0.00 O ATOM 490 CB PHE A 34 -3.280 8.653 5.761 1.00 0.00 C ATOM 491 CG PHE A 34 -3.051 7.307 5.069 1.00 0.00 C ATOM 492 CD1 PHE A 34 -4.101 6.632 4.531 1.00 0.00 C ATOM 493 CD2 PHE A 34 -1.797 6.786 4.994 1.00 0.00 C ATOM 494 CE1 PHE A 34 -3.888 5.383 3.889 1.00 0.00 C ATOM 495 CE2 PHE A 34 -1.584 5.538 4.352 1.00 0.00 C ATOM 496 CZ PHE A 34 -2.634 4.862 3.813 1.00 0.00 C ATOM 0 H PHE A 34 -1.477 9.476 4.362 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.153 9.545 3.968 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -2.421 8.875 6.395 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.147 8.570 6.416 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.097 7.045 4.592 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -0.963 7.322 5.423 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.722 4.847 3.461 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.588 5.125 4.292 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.472 3.912 3.325 1.00 0.00 H new ATOM 506 N ALA A 35 -3.365 11.587 6.428 1.00 0.00 N ATOM 507 CA ALA A 35 -3.851 12.705 7.219 1.00 0.00 C ATOM 508 C ALA A 35 -4.648 13.652 6.320 1.00 0.00 C ATOM 509 O ALA A 35 -5.800 13.969 6.612 1.00 0.00 O ATOM 510 CB ALA A 35 -2.671 13.402 7.899 1.00 0.00 C ATOM 0 H ALA A 35 -2.395 11.328 6.607 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.520 12.356 8.006 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.036 14.240 8.492 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.156 12.695 8.549 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -1.979 13.768 7.141 1.00 0.00 H new ATOM 516 N LEU A 36 -4.003 14.077 5.243 1.00 0.00 N ATOM 517 CA LEU A 36 -4.637 14.981 4.299 1.00 0.00 C ATOM 518 C LEU A 36 -6.029 14.451 3.948 1.00 0.00 C ATOM 519 O LEU A 36 -7.015 15.182 4.034 1.00 0.00 O ATOM 520 CB LEU A 36 -3.738 15.202 3.081 1.00 0.00 C ATOM 521 CG LEU A 36 -2.773 16.386 3.166 1.00 0.00 C ATOM 522 CD1 LEU A 36 -1.559 16.044 4.031 1.00 0.00 C ATOM 523 CD2 LEU A 36 -2.365 16.862 1.770 1.00 0.00 C ATOM 0 H LEU A 36 -3.048 13.812 5.004 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.774 15.965 4.748 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.156 14.296 2.915 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -4.373 15.338 2.206 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.291 17.214 3.651 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.890 16.903 4.074 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.890 15.790 5.038 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.031 15.194 3.598 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.679 17.704 1.859 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.873 16.048 1.237 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.252 17.173 1.218 1.00 0.00 H new ATOM 535 N PHE A 37 -6.065 13.185 3.560 1.00 0.00 N ATOM 536 CA PHE A 37 -7.319 12.549 3.195 1.00 0.00 C ATOM 537 C PHE A 37 -8.273 12.492 4.390 1.00 0.00 C ATOM 538 O PHE A 37 -9.460 12.213 4.229 1.00 0.00 O ATOM 539 CB PHE A 37 -6.986 11.122 2.756 1.00 0.00 C ATOM 540 CG PHE A 37 -6.201 11.042 1.445 1.00 0.00 C ATOM 541 CD1 PHE A 37 -4.845 11.149 1.457 1.00 0.00 C ATOM 542 CD2 PHE A 37 -6.858 10.863 0.268 1.00 0.00 C ATOM 543 CE1 PHE A 37 -4.116 11.074 0.241 1.00 0.00 C ATOM 544 CE2 PHE A 37 -6.130 10.788 -0.948 1.00 0.00 C ATOM 545 CZ PHE A 37 -4.774 10.895 -0.936 1.00 0.00 C ATOM 0 H PHE A 37 -5.245 12.582 3.490 1.00 0.00 H new ATOM 0 HA PHE A 37 -7.806 13.116 2.402 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.410 10.636 3.543 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.914 10.560 2.647 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -4.323 11.291 2.392 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -7.935 10.778 0.259 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.039 11.159 0.250 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -6.652 10.646 -1.883 1.00 0.00 H new ATOM 0 HZ PHE A 37 -4.220 10.838 -1.861 1.00 0.00 H new ATOM 555 N GLU A 38 -7.718 12.762 5.563 1.00 0.00 N ATOM 556 CA GLU A 38 -8.504 12.745 6.785 1.00 0.00 C ATOM 557 C GLU A 38 -8.914 14.168 7.172 1.00 0.00 C ATOM 558 O GLU A 38 -10.102 14.471 7.267 1.00 0.00 O ATOM 559 CB GLU A 38 -7.737 12.067 7.921 1.00 0.00 C ATOM 560 CG GLU A 38 -7.763 12.925 9.188 1.00 0.00 C ATOM 561 CD GLU A 38 -7.386 12.097 10.418 1.00 0.00 C ATOM 562 OE1 GLU A 38 -6.570 11.165 10.247 1.00 0.00 O ATOM 563 OE2 GLU A 38 -7.922 12.414 11.502 1.00 0.00 O ATOM 0 H GLU A 38 -6.733 12.994 5.693 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.408 12.164 6.604 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.176 11.091 8.129 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.705 11.894 7.616 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.070 13.760 9.081 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.757 13.351 9.323 1.00 0.00 H new ATOM 570 N SER A 39 -7.906 15.002 7.384 1.00 0.00 N ATOM 571 CA SER A 39 -8.147 16.385 7.759 1.00 0.00 C ATOM 572 C SER A 39 -8.781 17.142 6.589 1.00 0.00 C ATOM 573 O SER A 39 -9.612 18.025 6.794 1.00 0.00 O ATOM 574 CB SER A 39 -6.850 17.072 8.194 1.00 0.00 C ATOM 575 OG SER A 39 -6.401 16.607 9.463 1.00 0.00 O ATOM 0 H SER A 39 -6.922 14.747 7.303 1.00 0.00 H new ATOM 0 HA SER A 39 -8.834 16.395 8.605 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.076 16.893 7.447 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.007 18.150 8.237 1.00 0.00 H new ATOM 0 HG SER A 39 -5.570 17.067 9.705 1.00 0.00 H new ATOM 581 N PHE A 40 -8.364 16.767 5.389 1.00 0.00 N ATOM 582 CA PHE A 40 -8.881 17.399 4.187 1.00 0.00 C ATOM 583 C PHE A 40 -9.445 16.357 3.218 1.00 0.00 C ATOM 584 O PHE A 40 -8.853 16.090 2.174 1.00 0.00 O ATOM 585 CB PHE A 40 -7.707 18.116 3.518 1.00 0.00 C ATOM 586 CG PHE A 40 -6.912 19.022 4.461 1.00 0.00 C ATOM 587 CD1 PHE A 40 -7.499 20.125 4.999 1.00 0.00 C ATOM 588 CD2 PHE A 40 -5.620 18.724 4.762 1.00 0.00 C ATOM 589 CE1 PHE A 40 -6.761 20.966 5.874 1.00 0.00 C ATOM 590 CE2 PHE A 40 -4.883 19.565 5.637 1.00 0.00 C ATOM 591 CZ PHE A 40 -5.469 20.668 6.175 1.00 0.00 C ATOM 0 H PHE A 40 -7.674 16.034 5.223 1.00 0.00 H new ATOM 0 HA PHE A 40 -9.685 18.088 4.446 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -7.034 17.371 3.093 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -8.085 18.714 2.689 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -8.526 20.361 4.761 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -5.154 17.848 4.336 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -7.226 21.842 6.300 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -3.857 19.329 5.875 1.00 0.00 H new ATOM 0 HZ PHE A 40 -4.908 21.307 6.841 1.00 0.00 H new ATOM 601 N PRO A 41 -10.613 15.781 3.610 1.00 0.00 N ATOM 602 CA PRO A 41 -11.264 14.774 2.789 1.00 0.00 C ATOM 603 C PRO A 41 -11.944 15.412 1.576 1.00 0.00 C ATOM 604 O PRO A 41 -12.154 14.752 0.559 1.00 0.00 O ATOM 605 CB PRO A 41 -12.242 14.078 3.721 1.00 0.00 C ATOM 606 CG PRO A 41 -12.439 15.020 4.897 1.00 0.00 C ATOM 607 CD PRO A 41 -11.344 16.073 4.840 1.00 0.00 C ATOM 0 HA PRO A 41 -10.560 14.057 2.365 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -13.188 13.879 3.217 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.849 13.117 4.052 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -13.422 15.489 4.850 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.392 14.471 5.838 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -11.763 17.079 4.822 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -10.692 16.014 5.712 1.00 0.00 H new ATOM 615 N GLU A 42 -12.271 16.688 1.723 1.00 0.00 N ATOM 616 CA GLU A 42 -12.923 17.422 0.652 1.00 0.00 C ATOM 617 C GLU A 42 -11.880 18.003 -0.305 1.00 0.00 C ATOM 618 O GLU A 42 -11.967 19.168 -0.690 1.00 0.00 O ATOM 619 CB GLU A 42 -13.826 18.522 1.213 1.00 0.00 C ATOM 620 CG GLU A 42 -15.293 18.086 1.203 1.00 0.00 C ATOM 621 CD GLU A 42 -15.969 18.403 2.538 1.00 0.00 C ATOM 622 OE1 GLU A 42 -15.807 17.581 3.466 1.00 0.00 O ATOM 623 OE2 GLU A 42 -16.632 19.461 2.601 1.00 0.00 O ATOM 0 H GLU A 42 -12.096 17.232 2.568 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.553 16.730 0.094 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.522 18.763 2.231 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -13.709 19.430 0.622 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.821 18.592 0.395 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -15.357 17.016 1.004 1.00 0.00 H new ATOM 630 N ASP A 43 -10.919 17.164 -0.662 1.00 0.00 N ATOM 631 CA ASP A 43 -9.861 17.580 -1.566 1.00 0.00 C ATOM 632 C ASP A 43 -9.089 16.348 -2.043 1.00 0.00 C ATOM 633 O ASP A 43 -8.857 16.181 -3.240 1.00 0.00 O ATOM 634 CB ASP A 43 -8.872 18.514 -0.866 1.00 0.00 C ATOM 635 CG ASP A 43 -9.444 19.874 -0.459 1.00 0.00 C ATOM 636 OD1 ASP A 43 -9.965 19.954 0.675 1.00 0.00 O ATOM 637 OD2 ASP A 43 -9.349 20.802 -1.291 1.00 0.00 O ATOM 0 H ASP A 43 -10.851 16.198 -0.341 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.322 18.104 -2.403 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.493 18.015 0.026 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.020 18.678 -1.526 1.00 0.00 H new ATOM 642 N PHE A 44 -8.714 15.516 -1.083 1.00 0.00 N ATOM 643 CA PHE A 44 -7.974 14.304 -1.390 1.00 0.00 C ATOM 644 C PHE A 44 -8.843 13.063 -1.180 1.00 0.00 C ATOM 645 O PHE A 44 -9.520 12.939 -0.160 1.00 0.00 O ATOM 646 CB PHE A 44 -6.787 14.249 -0.426 1.00 0.00 C ATOM 647 CG PHE A 44 -5.966 15.539 -0.375 1.00 0.00 C ATOM 648 CD1 PHE A 44 -5.276 15.951 -1.472 1.00 0.00 C ATOM 649 CD2 PHE A 44 -5.927 16.275 0.768 1.00 0.00 C ATOM 650 CE1 PHE A 44 -4.515 17.148 -1.425 1.00 0.00 C ATOM 651 CE2 PHE A 44 -5.166 17.473 0.816 1.00 0.00 C ATOM 652 CZ PHE A 44 -4.476 17.884 -0.282 1.00 0.00 C ATOM 0 H PHE A 44 -8.909 15.657 -0.092 1.00 0.00 H new ATOM 0 HA PHE A 44 -7.653 14.318 -2.432 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -7.155 14.025 0.575 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.134 13.426 -0.717 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -5.307 15.367 -2.380 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.475 15.948 1.639 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.967 17.474 -2.297 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.135 18.057 1.724 1.00 0.00 H new ATOM 0 HZ PHE A 44 -3.897 18.795 -0.246 1.00 0.00 H new ATOM 662 N TYR A 45 -8.797 12.174 -2.162 1.00 0.00 N ATOM 663 CA TYR A 45 -9.572 10.947 -2.098 1.00 0.00 C ATOM 664 C TYR A 45 -9.309 10.067 -3.322 1.00 0.00 C ATOM 665 O TYR A 45 -9.030 10.575 -4.407 1.00 0.00 O ATOM 666 CB TYR A 45 -11.041 11.375 -2.099 1.00 0.00 C ATOM 667 CG TYR A 45 -11.393 12.388 -3.190 1.00 0.00 C ATOM 668 CD1 TYR A 45 -11.433 11.993 -4.512 1.00 0.00 C ATOM 669 CD2 TYR A 45 -11.670 13.698 -2.853 1.00 0.00 C ATOM 670 CE1 TYR A 45 -11.764 12.947 -5.539 1.00 0.00 C ATOM 671 CE2 TYR A 45 -12.001 14.651 -3.880 1.00 0.00 C ATOM 672 CZ TYR A 45 -12.032 14.229 -5.172 1.00 0.00 C ATOM 673 OH TYR A 45 -12.344 15.129 -6.142 1.00 0.00 O ATOM 0 H TYR A 45 -8.235 12.280 -3.006 1.00 0.00 H new ATOM 0 HA TYR A 45 -9.305 10.371 -1.212 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -11.666 10.491 -2.223 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -11.285 11.804 -1.127 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -11.216 10.969 -4.776 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -11.638 14.008 -1.819 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -11.799 12.651 -6.577 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -12.220 15.679 -3.630 1.00 0.00 H new ATOM 0 HH TYR A 45 -13.313 15.132 -6.286 1.00 0.00 H new ATOM 683 N VAL A 46 -9.407 8.764 -3.106 1.00 0.00 N ATOM 684 CA VAL A 46 -9.183 7.809 -4.179 1.00 0.00 C ATOM 685 C VAL A 46 -10.531 7.351 -4.738 1.00 0.00 C ATOM 686 O VAL A 46 -11.498 7.201 -3.993 1.00 0.00 O ATOM 687 CB VAL A 46 -8.320 6.650 -3.675 1.00 0.00 C ATOM 688 CG1 VAL A 46 -8.241 5.533 -4.717 1.00 0.00 C ATOM 689 CG2 VAL A 46 -6.922 7.136 -3.285 1.00 0.00 C ATOM 0 H VAL A 46 -9.638 8.347 -2.205 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.634 8.275 -4.997 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.794 6.243 -2.782 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.622 4.722 -4.334 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.243 5.158 -4.925 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.801 5.922 -5.635 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.329 6.293 -2.930 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.436 7.581 -4.153 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.003 7.881 -2.493 1.00 0.00 H new ATOM 699 N GLU A 47 -10.552 7.143 -6.046 1.00 0.00 N ATOM 700 CA GLU A 47 -11.766 6.705 -6.715 1.00 0.00 C ATOM 701 C GLU A 47 -11.517 5.393 -7.462 1.00 0.00 C ATOM 702 O GLU A 47 -10.451 5.198 -8.043 1.00 0.00 O ATOM 703 CB GLU A 47 -12.290 7.785 -7.663 1.00 0.00 C ATOM 704 CG GLU A 47 -12.556 9.092 -6.912 1.00 0.00 C ATOM 705 CD GLU A 47 -14.050 9.418 -6.892 1.00 0.00 C ATOM 706 OE1 GLU A 47 -14.551 9.852 -7.952 1.00 0.00 O ATOM 707 OE2 GLU A 47 -14.658 9.227 -5.816 1.00 0.00 O ATOM 0 H GLU A 47 -9.748 7.270 -6.661 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.531 6.530 -5.959 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.565 7.959 -8.458 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.208 7.442 -8.139 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.184 9.011 -5.891 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.009 9.906 -7.387 1.00 0.00 H new ATOM 714 N GLY A 48 -12.520 4.528 -7.423 1.00 0.00 N ATOM 715 CA GLY A 48 -12.423 3.240 -8.089 1.00 0.00 C ATOM 716 C GLY A 48 -12.522 2.093 -7.082 1.00 0.00 C ATOM 717 O GLY A 48 -12.896 0.977 -7.441 1.00 0.00 O ATOM 0 H GLY A 48 -13.403 4.694 -6.941 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -13.218 3.149 -8.829 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.477 3.175 -8.627 1.00 0.00 H new ATOM 721 N LEU A 49 -12.180 2.406 -5.841 1.00 0.00 N ATOM 722 CA LEU A 49 -12.226 1.416 -4.779 1.00 0.00 C ATOM 723 C LEU A 49 -13.511 0.595 -4.908 1.00 0.00 C ATOM 724 O LEU A 49 -14.507 1.075 -5.446 1.00 0.00 O ATOM 725 CB LEU A 49 -12.059 2.085 -3.413 1.00 0.00 C ATOM 726 CG LEU A 49 -10.636 2.508 -3.044 1.00 0.00 C ATOM 727 CD1 LEU A 49 -10.650 3.676 -2.055 1.00 0.00 C ATOM 728 CD2 LEU A 49 -9.830 1.320 -2.515 1.00 0.00 C ATOM 0 H LEU A 49 -11.870 3.332 -5.547 1.00 0.00 H new ATOM 0 HA LEU A 49 -11.392 0.721 -4.871 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -12.699 2.967 -3.382 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -12.423 1.400 -2.648 1.00 0.00 H new ATOM 0 HG LEU A 49 -10.139 2.857 -3.949 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -9.626 3.957 -1.809 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.162 4.527 -2.504 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -11.172 3.377 -1.146 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -8.822 1.648 -2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.316 0.917 -1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -9.777 0.547 -3.281 1.00 0.00 H new ATOM 740 N PRO A 50 -13.444 -0.662 -4.392 1.00 0.00 N ATOM 741 CA PRO A 50 -14.590 -1.554 -4.444 1.00 0.00 C ATOM 742 C PRO A 50 -15.647 -1.150 -3.415 1.00 0.00 C ATOM 743 O PRO A 50 -15.320 -0.583 -2.373 1.00 0.00 O ATOM 744 CB PRO A 50 -14.020 -2.941 -4.198 1.00 0.00 C ATOM 745 CG PRO A 50 -12.659 -2.725 -3.558 1.00 0.00 C ATOM 746 CD PRO A 50 -12.281 -1.264 -3.748 1.00 0.00 C ATOM 0 HA PRO A 50 -15.110 -1.516 -5.401 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -14.672 -3.521 -3.544 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -13.929 -3.497 -5.131 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -12.692 -2.976 -2.498 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -11.914 -3.375 -4.017 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -12.064 -0.784 -2.794 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -11.389 -1.163 -4.366 1.00 0.00 H new ATOM 754 N GLU A 51 -16.894 -1.457 -3.742 1.00 0.00 N ATOM 755 CA GLU A 51 -18.001 -1.133 -2.858 1.00 0.00 C ATOM 756 C GLU A 51 -17.757 -1.718 -1.465 1.00 0.00 C ATOM 757 O GLU A 51 -17.282 -2.845 -1.336 1.00 0.00 O ATOM 758 CB GLU A 51 -19.327 -1.629 -3.437 1.00 0.00 C ATOM 759 CG GLU A 51 -20.511 -0.900 -2.798 1.00 0.00 C ATOM 760 CD GLU A 51 -21.784 -1.091 -3.625 1.00 0.00 C ATOM 761 OE1 GLU A 51 -21.708 -0.847 -4.848 1.00 0.00 O ATOM 762 OE2 GLU A 51 -22.804 -1.477 -3.015 1.00 0.00 O ATOM 0 H GLU A 51 -17.162 -1.927 -4.607 1.00 0.00 H new ATOM 0 HA GLU A 51 -18.064 -0.049 -2.769 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -19.338 -1.473 -4.516 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.422 -2.702 -3.270 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -20.670 -1.275 -1.787 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -20.285 0.163 -2.712 1.00 0.00 H new ATOM 769 N GLY A 52 -18.094 -0.925 -0.458 1.00 0.00 N ATOM 770 CA GLY A 52 -17.917 -1.350 0.920 1.00 0.00 C ATOM 771 C GLY A 52 -16.434 -1.398 1.294 1.00 0.00 C ATOM 772 O GLY A 52 -16.075 -1.898 2.358 1.00 0.00 O ATOM 0 H GLY A 52 -18.488 0.009 -0.569 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -18.441 -0.664 1.586 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -18.363 -2.335 1.061 1.00 0.00 H new ATOM 776 N VAL A 53 -15.614 -0.871 0.397 1.00 0.00 N ATOM 777 CA VAL A 53 -14.178 -0.847 0.619 1.00 0.00 C ATOM 778 C VAL A 53 -13.657 0.576 0.404 1.00 0.00 C ATOM 779 O VAL A 53 -13.391 0.979 -0.727 1.00 0.00 O ATOM 780 CB VAL A 53 -13.492 -1.877 -0.280 1.00 0.00 C ATOM 781 CG1 VAL A 53 -11.987 -1.927 -0.008 1.00 0.00 C ATOM 782 CG2 VAL A 53 -14.126 -3.260 -0.112 1.00 0.00 C ATOM 0 H VAL A 53 -15.916 -0.457 -0.485 1.00 0.00 H new ATOM 0 HA VAL A 53 -13.946 -1.127 1.647 1.00 0.00 H new ATOM 0 HB VAL A 53 -13.635 -1.566 -1.315 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.524 -2.667 -0.660 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.549 -0.948 -0.202 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.814 -2.202 1.033 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -13.620 -3.974 -0.762 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -14.029 -3.581 0.925 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -15.182 -3.211 -0.379 1.00 0.00 H new ATOM 792 N PRO A 54 -13.522 1.316 1.537 1.00 0.00 N ATOM 793 CA PRO A 54 -13.038 2.685 1.483 1.00 0.00 C ATOM 794 C PRO A 54 -11.528 2.722 1.238 1.00 0.00 C ATOM 795 O PRO A 54 -10.914 1.693 0.960 1.00 0.00 O ATOM 796 CB PRO A 54 -13.438 3.296 2.816 1.00 0.00 C ATOM 797 CG PRO A 54 -13.717 2.126 3.745 1.00 0.00 C ATOM 798 CD PRO A 54 -13.827 0.871 2.894 1.00 0.00 C ATOM 0 HA PRO A 54 -13.466 3.251 0.656 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -12.642 3.927 3.211 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -14.320 3.927 2.707 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -12.917 2.021 4.478 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -14.639 2.292 4.301 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -13.127 0.105 3.226 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -14.826 0.438 2.954 1.00 0.00 H new ATOM 806 N PHE A 55 -10.972 3.920 1.350 1.00 0.00 N ATOM 807 CA PHE A 55 -9.546 4.105 1.144 1.00 0.00 C ATOM 808 C PHE A 55 -8.802 4.166 2.479 1.00 0.00 C ATOM 809 O PHE A 55 -7.824 4.899 2.616 1.00 0.00 O ATOM 810 CB PHE A 55 -9.369 5.439 0.414 1.00 0.00 C ATOM 811 CG PHE A 55 -7.909 5.817 0.155 1.00 0.00 C ATOM 812 CD1 PHE A 55 -7.024 4.871 -0.258 1.00 0.00 C ATOM 813 CD2 PHE A 55 -7.497 7.101 0.338 1.00 0.00 C ATOM 814 CE1 PHE A 55 -5.669 5.223 -0.498 1.00 0.00 C ATOM 815 CE2 PHE A 55 -6.143 7.452 0.097 1.00 0.00 C ATOM 816 CZ PHE A 55 -5.257 6.506 -0.315 1.00 0.00 C ATOM 0 H PHE A 55 -11.484 4.772 1.581 1.00 0.00 H new ATOM 0 HA PHE A 55 -9.142 3.270 0.571 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.896 5.393 -0.539 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -9.839 6.228 1.001 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -7.351 3.852 -0.404 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -8.200 7.852 0.666 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.966 4.472 -0.826 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.816 8.471 0.241 1.00 0.00 H new ATOM 0 HZ PHE A 55 -4.227 6.774 -0.497 1.00 0.00 H new ATOM 826 N ARG A 56 -9.295 3.386 3.430 1.00 0.00 N ATOM 827 CA ARG A 56 -8.689 3.342 4.750 1.00 0.00 C ATOM 828 C ARG A 56 -7.348 2.608 4.695 1.00 0.00 C ATOM 829 O ARG A 56 -6.937 2.137 3.635 1.00 0.00 O ATOM 830 CB ARG A 56 -9.606 2.639 5.754 1.00 0.00 C ATOM 831 CG ARG A 56 -10.565 3.634 6.411 1.00 0.00 C ATOM 832 CD ARG A 56 -10.093 4.002 7.819 1.00 0.00 C ATOM 833 NE ARG A 56 -11.259 4.165 8.716 1.00 0.00 N ATOM 834 CZ ARG A 56 -12.171 5.139 8.593 1.00 0.00 C ATOM 835 NH1 ARG A 56 -12.058 6.042 7.610 1.00 0.00 N ATOM 836 NH2 ARG A 56 -13.196 5.209 9.454 1.00 0.00 N ATOM 0 H ARG A 56 -10.107 2.780 3.313 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.531 4.370 5.076 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.176 1.860 5.248 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -9.005 2.148 6.519 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -10.635 4.534 5.800 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.565 3.203 6.460 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -9.432 3.226 8.205 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -9.515 4.926 7.788 1.00 0.00 H new ATOM 0 HE ARG A 56 -11.376 3.494 9.475 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -11.278 5.988 6.955 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -12.752 6.783 7.516 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.281 4.521 10.202 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -13.891 5.950 9.361 1.00 0.00 H new ATOM 850 N ARG A 57 -6.702 2.534 5.849 1.00 0.00 N ATOM 851 CA ARG A 57 -5.415 1.865 5.945 1.00 0.00 C ATOM 852 C ARG A 57 -5.549 0.396 5.539 1.00 0.00 C ATOM 853 O ARG A 57 -6.569 -0.236 5.809 1.00 0.00 O ATOM 854 CB ARG A 57 -4.857 1.945 7.367 1.00 0.00 C ATOM 855 CG ARG A 57 -4.421 3.372 7.706 1.00 0.00 C ATOM 856 CD ARG A 57 -5.310 3.974 8.796 1.00 0.00 C ATOM 857 NE ARG A 57 -5.783 5.314 8.381 1.00 0.00 N ATOM 858 CZ ARG A 57 -6.878 5.910 8.872 1.00 0.00 C ATOM 859 NH1 ARG A 57 -7.621 5.288 9.797 1.00 0.00 N ATOM 860 NH2 ARG A 57 -7.231 7.127 8.437 1.00 0.00 N ATOM 0 H ARG A 57 -7.045 2.926 6.726 1.00 0.00 H new ATOM 0 HA ARG A 57 -4.727 2.371 5.268 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -5.614 1.614 8.078 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -4.008 1.268 7.467 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -3.383 3.369 8.039 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -4.467 3.992 6.811 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.162 3.321 8.984 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -4.754 4.049 9.730 1.00 0.00 H new ATOM 0 HE ARG A 57 -5.241 5.815 7.677 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.353 4.361 10.127 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.455 5.742 10.171 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.666 7.600 7.732 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.065 7.580 8.811 1.00 0.00 H new ATOM 874 N PRO A 58 -4.476 -0.118 4.880 1.00 0.00 N ATOM 875 CA PRO A 58 -4.464 -1.501 4.434 1.00 0.00 C ATOM 876 C PRO A 58 -4.241 -2.454 5.609 1.00 0.00 C ATOM 877 O PRO A 58 -4.489 -3.653 5.496 1.00 0.00 O ATOM 878 CB PRO A 58 -3.355 -1.569 3.396 1.00 0.00 C ATOM 879 CG PRO A 58 -2.485 -0.346 3.634 1.00 0.00 C ATOM 880 CD PRO A 58 -3.251 0.601 4.542 1.00 0.00 C ATOM 0 HA PRO A 58 -5.416 -1.812 4.003 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.776 -2.487 3.503 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.765 -1.566 2.386 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -1.539 -0.634 4.093 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -2.245 0.142 2.689 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.676 0.845 5.435 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -3.471 1.542 4.038 1.00 0.00 H new ATOM 888 N SER A 59 -3.777 -1.885 6.712 1.00 0.00 N ATOM 889 CA SER A 59 -3.518 -2.669 7.907 1.00 0.00 C ATOM 890 C SER A 59 -4.745 -2.649 8.821 1.00 0.00 C ATOM 891 O SER A 59 -4.634 -2.347 10.009 1.00 0.00 O ATOM 892 CB SER A 59 -2.291 -2.145 8.655 1.00 0.00 C ATOM 893 OG SER A 59 -1.955 -2.965 9.771 1.00 0.00 O ATOM 0 H SER A 59 -3.574 -0.890 6.803 1.00 0.00 H new ATOM 0 HA SER A 59 -3.314 -3.696 7.605 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.443 -2.098 7.972 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.482 -1.128 8.997 1.00 0.00 H new ATOM 0 HG SER A 59 -2.731 -3.045 10.364 1.00 0.00 H new ATOM 899 N THR A 60 -5.887 -2.974 8.233 1.00 0.00 N ATOM 900 CA THR A 60 -7.133 -2.997 8.980 1.00 0.00 C ATOM 901 C THR A 60 -8.158 -3.891 8.279 1.00 0.00 C ATOM 902 O THR A 60 -8.814 -4.710 8.921 1.00 0.00 O ATOM 903 CB THR A 60 -7.606 -1.553 9.156 1.00 0.00 C ATOM 904 OG1 THR A 60 -7.438 -1.299 10.548 1.00 0.00 O ATOM 905 CG2 THR A 60 -9.111 -1.397 8.928 1.00 0.00 C ATOM 0 H THR A 60 -5.975 -3.224 7.248 1.00 0.00 H new ATOM 0 HA THR A 60 -6.993 -3.431 9.970 1.00 0.00 H new ATOM 0 HB THR A 60 -7.065 -0.908 8.463 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.528 -1.542 10.817 1.00 0.00 H new ATOM 0 HG21 THR A 60 -9.394 -0.353 9.065 1.00 0.00 H new ATOM 0 HG22 THR A 60 -9.360 -1.710 7.914 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.653 -2.017 9.642 1.00 0.00 H new ATOM 913 N PHE A 61 -8.264 -3.703 6.972 1.00 0.00 N ATOM 914 CA PHE A 61 -9.198 -4.482 6.177 1.00 0.00 C ATOM 915 C PHE A 61 -9.046 -5.978 6.462 1.00 0.00 C ATOM 916 O PHE A 61 -8.145 -6.386 7.193 1.00 0.00 O ATOM 917 CB PHE A 61 -8.863 -4.219 4.708 1.00 0.00 C ATOM 918 CG PHE A 61 -9.145 -2.786 4.252 1.00 0.00 C ATOM 919 CD1 PHE A 61 -10.322 -2.188 4.578 1.00 0.00 C ATOM 920 CD2 PHE A 61 -8.218 -2.110 3.521 1.00 0.00 C ATOM 921 CE1 PHE A 61 -10.583 -0.857 4.156 1.00 0.00 C ATOM 922 CE2 PHE A 61 -8.479 -0.780 3.099 1.00 0.00 C ATOM 923 CZ PHE A 61 -9.656 -0.182 3.425 1.00 0.00 C ATOM 0 H PHE A 61 -7.718 -3.022 6.443 1.00 0.00 H new ATOM 0 HA PHE A 61 -10.221 -4.195 6.419 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -7.809 -4.442 4.541 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -9.437 -4.907 4.086 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -11.058 -2.725 5.158 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.283 -2.585 3.262 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -11.517 -0.381 4.416 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.743 -0.243 2.519 1.00 0.00 H new ATOM 0 HZ PHE A 61 -9.855 0.830 3.103 1.00 0.00 H new ATOM 933 N GLY A 62 -9.942 -6.754 5.871 1.00 0.00 N ATOM 934 CA GLY A 62 -9.920 -8.196 6.052 1.00 0.00 C ATOM 935 C GLY A 62 -8.941 -8.855 5.078 1.00 0.00 C ATOM 936 O GLY A 62 -8.276 -8.171 4.303 1.00 0.00 O ATOM 0 H GLY A 62 -10.688 -6.412 5.266 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.634 -8.433 7.077 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.920 -8.601 5.898 1.00 0.00 H new ATOM 940 N ILE A 63 -8.885 -10.177 5.151 1.00 0.00 N ATOM 941 CA ILE A 63 -7.999 -10.937 4.285 1.00 0.00 C ATOM 942 C ILE A 63 -8.508 -10.857 2.845 1.00 0.00 C ATOM 943 O ILE A 63 -7.728 -10.649 1.917 1.00 0.00 O ATOM 944 CB ILE A 63 -7.842 -12.368 4.803 1.00 0.00 C ATOM 945 CG1 ILE A 63 -6.989 -12.401 6.073 1.00 0.00 C ATOM 946 CG2 ILE A 63 -7.285 -13.287 3.714 1.00 0.00 C ATOM 947 CD1 ILE A 63 -7.470 -13.496 7.028 1.00 0.00 C ATOM 0 H ILE A 63 -9.438 -10.741 5.796 1.00 0.00 H new ATOM 0 HA ILE A 63 -6.997 -10.507 4.294 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.829 -12.746 5.069 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -5.946 -12.575 5.810 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -7.035 -11.433 6.571 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -7.183 -14.298 4.108 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.966 -13.296 2.863 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.309 -12.922 3.394 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.847 -13.498 7.922 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.506 -13.305 7.308 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -7.400 -14.465 6.535 1.00 0.00 H new ATOM 959 N PRO A 64 -9.849 -11.030 2.699 1.00 0.00 N ATOM 960 CA PRO A 64 -10.472 -10.979 1.387 1.00 0.00 C ATOM 961 C PRO A 64 -10.568 -9.538 0.881 1.00 0.00 C ATOM 962 O PRO A 64 -10.150 -9.240 -0.237 1.00 0.00 O ATOM 963 CB PRO A 64 -11.830 -11.635 1.570 1.00 0.00 C ATOM 964 CG PRO A 64 -12.107 -11.610 3.065 1.00 0.00 C ATOM 965 CD PRO A 64 -10.805 -11.277 3.774 1.00 0.00 C ATOM 0 HA PRO A 64 -9.892 -11.501 0.626 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -12.602 -11.095 1.021 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -11.824 -12.657 1.191 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -12.870 -10.868 3.300 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -12.488 -12.575 3.399 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -10.916 -10.402 4.414 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -10.480 -12.099 4.412 1.00 0.00 H new ATOM 973 N ARG A 65 -11.120 -8.683 1.728 1.00 0.00 N ATOM 974 CA ARG A 65 -11.276 -7.280 1.381 1.00 0.00 C ATOM 975 C ARG A 65 -9.976 -6.732 0.790 1.00 0.00 C ATOM 976 O ARG A 65 -10.002 -5.950 -0.159 1.00 0.00 O ATOM 977 CB ARG A 65 -11.662 -6.449 2.606 1.00 0.00 C ATOM 978 CG ARG A 65 -13.131 -6.027 2.542 1.00 0.00 C ATOM 979 CD ARG A 65 -13.384 -4.787 3.401 1.00 0.00 C ATOM 980 NE ARG A 65 -14.271 -5.129 4.536 1.00 0.00 N ATOM 981 CZ ARG A 65 -14.924 -4.225 5.278 1.00 0.00 C ATOM 982 NH1 ARG A 65 -14.795 -2.918 5.010 1.00 0.00 N ATOM 983 NH2 ARG A 65 -15.708 -4.627 6.288 1.00 0.00 N ATOM 0 H ARG A 65 -11.465 -8.934 2.654 1.00 0.00 H new ATOM 0 HA ARG A 65 -12.074 -7.208 0.642 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -11.485 -7.028 3.513 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.028 -5.564 2.664 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -13.409 -5.820 1.508 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -13.763 -6.846 2.884 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -12.438 -4.394 3.774 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -13.839 -4.003 2.797 1.00 0.00 H new ATOM 0 HE ARG A 65 -14.392 -6.115 4.767 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -14.199 -2.611 4.241 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -15.292 -2.230 5.575 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -15.807 -5.621 6.492 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -16.205 -3.938 6.853 1.00 0.00 H new ATOM 997 N LEU A 66 -8.869 -7.164 1.376 1.00 0.00 N ATOM 998 CA LEU A 66 -7.561 -6.726 0.920 1.00 0.00 C ATOM 999 C LEU A 66 -7.407 -7.056 -0.566 1.00 0.00 C ATOM 1000 O LEU A 66 -7.165 -6.168 -1.381 1.00 0.00 O ATOM 1001 CB LEU A 66 -6.459 -7.321 1.800 1.00 0.00 C ATOM 1002 CG LEU A 66 -6.180 -6.588 3.113 1.00 0.00 C ATOM 1003 CD1 LEU A 66 -5.412 -7.483 4.088 1.00 0.00 C ATOM 1004 CD2 LEU A 66 -5.457 -5.264 2.859 1.00 0.00 C ATOM 0 H LEU A 66 -8.851 -7.813 2.163 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.466 -5.645 1.018 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.724 -8.352 2.032 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.536 -7.352 1.221 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.135 -6.348 3.580 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.226 -6.938 5.013 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.000 -8.375 4.304 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.461 -7.775 3.642 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.271 -4.763 3.809 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.508 -5.458 2.359 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.076 -4.626 2.228 1.00 0.00 H new ATOM 1016 N GLU A 67 -7.553 -8.337 -0.873 1.00 0.00 N ATOM 1017 CA GLU A 67 -7.433 -8.796 -2.246 1.00 0.00 C ATOM 1018 C GLU A 67 -8.318 -7.952 -3.167 1.00 0.00 C ATOM 1019 O GLU A 67 -7.897 -7.568 -4.256 1.00 0.00 O ATOM 1020 CB GLU A 67 -7.782 -10.281 -2.361 1.00 0.00 C ATOM 1021 CG GLU A 67 -6.580 -11.156 -1.996 1.00 0.00 C ATOM 1022 CD GLU A 67 -6.453 -12.340 -2.956 1.00 0.00 C ATOM 1023 OE1 GLU A 67 -7.453 -13.080 -3.080 1.00 0.00 O ATOM 1024 OE2 GLU A 67 -5.359 -12.479 -3.544 1.00 0.00 O ATOM 0 H GLU A 67 -7.753 -9.071 -0.194 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.396 -8.675 -2.559 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.619 -10.514 -1.703 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.104 -10.505 -3.378 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.668 -10.559 -2.026 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.688 -11.521 -0.975 1.00 0.00 H new ATOM 1031 N LYS A 68 -9.527 -7.690 -2.694 1.00 0.00 N ATOM 1032 CA LYS A 68 -10.475 -6.899 -3.461 1.00 0.00 C ATOM 1033 C LYS A 68 -9.798 -5.608 -3.925 1.00 0.00 C ATOM 1034 O LYS A 68 -9.672 -5.366 -5.124 1.00 0.00 O ATOM 1035 CB LYS A 68 -11.755 -6.667 -2.655 1.00 0.00 C ATOM 1036 CG LYS A 68 -12.285 -7.981 -2.076 1.00 0.00 C ATOM 1037 CD LYS A 68 -13.810 -7.954 -1.961 1.00 0.00 C ATOM 1038 CE LYS A 68 -14.456 -8.845 -3.024 1.00 0.00 C ATOM 1039 NZ LYS A 68 -15.930 -8.718 -2.981 1.00 0.00 N ATOM 0 H LYS A 68 -9.872 -8.011 -1.790 1.00 0.00 H new ATOM 0 HA LYS A 68 -10.783 -7.437 -4.357 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.557 -5.963 -1.847 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -12.514 -6.215 -3.293 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -11.979 -8.812 -2.712 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -11.846 -8.153 -1.093 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.109 -8.291 -0.968 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -14.169 -6.931 -2.072 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -14.090 -8.566 -4.012 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -14.170 -9.884 -2.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -16.352 -9.329 -3.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -16.276 -9.006 -2.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -16.199 -7.729 -3.161 1.00 0.00 H new ATOM 1053 N ILE A 69 -9.380 -4.814 -2.950 1.00 0.00 N ATOM 1054 CA ILE A 69 -8.719 -3.553 -3.244 1.00 0.00 C ATOM 1055 C ILE A 69 -7.756 -3.749 -4.416 1.00 0.00 C ATOM 1056 O ILE A 69 -7.743 -2.952 -5.354 1.00 0.00 O ATOM 1057 CB ILE A 69 -8.052 -2.993 -1.987 1.00 0.00 C ATOM 1058 CG1 ILE A 69 -9.075 -2.297 -1.087 1.00 0.00 C ATOM 1059 CG2 ILE A 69 -6.886 -2.070 -2.349 1.00 0.00 C ATOM 1060 CD1 ILE A 69 -8.800 -2.595 0.389 1.00 0.00 C ATOM 0 H ILE A 69 -9.486 -5.019 -1.956 1.00 0.00 H new ATOM 0 HA ILE A 69 -9.447 -2.803 -3.551 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.638 -3.827 -1.420 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -9.041 -1.221 -1.257 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -10.080 -2.630 -1.348 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.430 -1.686 -1.437 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.143 -2.628 -2.919 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -7.254 -1.238 -2.949 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -9.541 -2.088 1.007 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -8.858 -3.670 0.560 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -7.804 -2.239 0.653 1.00 0.00 H new ATOM 1072 N LEU A 70 -6.971 -4.813 -4.325 1.00 0.00 N ATOM 1073 CA LEU A 70 -6.007 -5.123 -5.367 1.00 0.00 C ATOM 1074 C LEU A 70 -6.749 -5.422 -6.671 1.00 0.00 C ATOM 1075 O LEU A 70 -6.477 -4.805 -7.700 1.00 0.00 O ATOM 1076 CB LEU A 70 -5.076 -6.251 -4.917 1.00 0.00 C ATOM 1077 CG LEU A 70 -3.778 -5.817 -4.234 1.00 0.00 C ATOM 1078 CD1 LEU A 70 -3.377 -6.806 -3.138 1.00 0.00 C ATOM 1079 CD2 LEU A 70 -2.661 -5.614 -5.260 1.00 0.00 C ATOM 0 H LEU A 70 -6.983 -5.471 -3.546 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.362 -4.265 -5.557 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.625 -6.897 -4.232 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.821 -6.854 -5.788 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.951 -4.855 -3.751 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -2.451 -6.473 -2.669 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.166 -6.857 -2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.228 -7.793 -3.575 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.749 -5.306 -4.749 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -2.481 -6.548 -5.791 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.956 -4.843 -5.972 1.00 0.00 H new ATOM 1091 N ARG A 71 -7.672 -6.369 -6.585 1.00 0.00 N ATOM 1092 CA ARG A 71 -8.456 -6.757 -7.746 1.00 0.00 C ATOM 1093 C ARG A 71 -8.855 -5.521 -8.555 1.00 0.00 C ATOM 1094 O ARG A 71 -9.005 -5.594 -9.773 1.00 0.00 O ATOM 1095 CB ARG A 71 -9.718 -7.515 -7.330 1.00 0.00 C ATOM 1096 CG ARG A 71 -9.390 -8.961 -6.952 1.00 0.00 C ATOM 1097 CD ARG A 71 -10.425 -9.927 -7.531 1.00 0.00 C ATOM 1098 NE ARG A 71 -9.838 -10.681 -8.661 1.00 0.00 N ATOM 1099 CZ ARG A 71 -10.481 -11.641 -9.338 1.00 0.00 C ATOM 1100 NH1 ARG A 71 -11.736 -11.971 -9.005 1.00 0.00 N ATOM 1101 NH2 ARG A 71 -9.869 -12.272 -10.350 1.00 0.00 N ATOM 0 H ARG A 71 -7.895 -6.879 -5.730 1.00 0.00 H new ATOM 0 HA ARG A 71 -7.838 -7.412 -8.359 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -10.187 -7.012 -6.484 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -10.439 -7.504 -8.147 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -8.398 -9.221 -7.321 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.362 -9.060 -5.867 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -10.762 -10.618 -6.758 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -11.302 -9.374 -7.868 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.884 -10.455 -8.942 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -12.202 -11.491 -8.235 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -12.225 -12.702 -9.521 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.914 -12.021 -10.604 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -10.359 -13.003 -10.866 1.00 0.00 H new ATOM 1115 N ASN A 72 -9.015 -4.414 -7.844 1.00 0.00 N ATOM 1116 CA ASN A 72 -9.394 -3.164 -8.480 1.00 0.00 C ATOM 1117 C ASN A 72 -8.292 -2.127 -8.253 1.00 0.00 C ATOM 1118 O ASN A 72 -8.549 -1.050 -7.718 1.00 0.00 O ATOM 1119 CB ASN A 72 -10.691 -2.614 -7.885 1.00 0.00 C ATOM 1120 CG ASN A 72 -11.911 -3.310 -8.492 1.00 0.00 C ATOM 1121 OD1 ASN A 72 -11.818 -4.061 -9.448 1.00 0.00 O ATOM 1122 ND2 ASN A 72 -13.058 -3.018 -7.884 1.00 0.00 N ATOM 0 H ASN A 72 -8.889 -4.357 -6.833 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.539 -3.357 -9.543 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -10.688 -2.755 -6.804 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -10.752 -1.541 -8.066 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -13.930 -3.432 -8.214 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -13.065 -2.381 -7.088 1.00 0.00 H new ATOM 1129 N LYS A 73 -7.088 -2.489 -8.671 1.00 0.00 N ATOM 1130 CA LYS A 73 -5.946 -1.603 -8.520 1.00 0.00 C ATOM 1131 C LYS A 73 -5.905 -0.626 -9.697 1.00 0.00 C ATOM 1132 O LYS A 73 -5.759 0.580 -9.502 1.00 0.00 O ATOM 1133 CB LYS A 73 -4.659 -2.412 -8.347 1.00 0.00 C ATOM 1134 CG LYS A 73 -4.250 -3.078 -9.663 1.00 0.00 C ATOM 1135 CD LYS A 73 -2.980 -3.913 -9.483 1.00 0.00 C ATOM 1136 CE LYS A 73 -3.150 -5.307 -10.090 1.00 0.00 C ATOM 1137 NZ LYS A 73 -2.587 -5.349 -11.457 1.00 0.00 N ATOM 0 H LYS A 73 -6.878 -3.384 -9.114 1.00 0.00 H new ATOM 0 HA LYS A 73 -6.044 -1.006 -7.613 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.858 -1.759 -8.001 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -4.803 -3.173 -7.580 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.060 -3.714 -10.020 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -4.084 -2.316 -10.424 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.138 -3.407 -9.955 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.745 -4.000 -8.422 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.652 -6.046 -9.463 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.207 -5.572 -10.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.711 -6.302 -11.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.080 -4.657 -12.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.574 -5.117 -11.422 1.00 0.00 H new ATOM 1151 N ALA A 74 -6.035 -1.182 -10.892 1.00 0.00 N ATOM 1152 CA ALA A 74 -6.015 -0.375 -12.100 1.00 0.00 C ATOM 1153 C ALA A 74 -7.189 0.605 -12.073 1.00 0.00 C ATOM 1154 O ALA A 74 -7.033 1.777 -12.413 1.00 0.00 O ATOM 1155 CB ALA A 74 -6.046 -1.290 -13.326 1.00 0.00 C ATOM 0 H ALA A 74 -6.155 -2.183 -11.050 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.098 0.212 -12.155 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.031 -0.685 -14.232 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.175 -1.945 -13.313 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.954 -1.893 -13.307 1.00 0.00 H new ATOM 1161 N LYS A 75 -8.340 0.089 -11.666 1.00 0.00 N ATOM 1162 CA LYS A 75 -9.540 0.904 -11.591 1.00 0.00 C ATOM 1163 C LYS A 75 -9.309 2.055 -10.610 1.00 0.00 C ATOM 1164 O LYS A 75 -9.639 3.203 -10.905 1.00 0.00 O ATOM 1165 CB LYS A 75 -10.755 0.039 -11.248 1.00 0.00 C ATOM 1166 CG LYS A 75 -10.922 -1.096 -12.260 1.00 0.00 C ATOM 1167 CD LYS A 75 -11.732 -0.635 -13.473 1.00 0.00 C ATOM 1168 CE LYS A 75 -13.210 -0.466 -13.114 1.00 0.00 C ATOM 1169 NZ LYS A 75 -13.562 0.969 -13.028 1.00 0.00 N ATOM 0 H LYS A 75 -8.466 -0.883 -11.385 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.758 1.350 -12.561 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.640 -0.376 -10.247 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.654 0.656 -11.236 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.942 -1.446 -12.584 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.421 -1.941 -11.785 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.334 0.310 -13.843 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.631 -1.361 -14.280 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.831 -0.954 -13.865 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.417 -0.955 -12.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.203 1.122 -12.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.697 1.531 -12.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.033 1.264 -13.907 1.00 0.00 H new ATOM 1183 N ILE A 76 -8.745 1.708 -9.462 1.00 0.00 N ATOM 1184 CA ILE A 76 -8.466 2.698 -8.436 1.00 0.00 C ATOM 1185 C ILE A 76 -7.746 3.892 -9.067 1.00 0.00 C ATOM 1186 O ILE A 76 -6.974 3.728 -10.010 1.00 0.00 O ATOM 1187 CB ILE A 76 -7.700 2.064 -7.273 1.00 0.00 C ATOM 1188 CG1 ILE A 76 -8.656 1.368 -6.302 1.00 0.00 C ATOM 1189 CG2 ILE A 76 -6.819 3.096 -6.568 1.00 0.00 C ATOM 1190 CD1 ILE A 76 -7.895 0.440 -5.353 1.00 0.00 C ATOM 0 H ILE A 76 -8.474 0.755 -9.220 1.00 0.00 H new ATOM 0 HA ILE A 76 -9.395 3.074 -8.008 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.038 1.299 -7.678 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -9.202 2.115 -5.726 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -9.395 0.795 -6.862 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.286 2.618 -5.746 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -6.100 3.506 -7.277 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.442 3.901 -6.178 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.598 -0.042 -4.674 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -7.370 -0.320 -5.931 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.174 1.020 -4.777 1.00 0.00 H new ATOM 1202 N LYS A 77 -8.025 5.067 -8.521 1.00 0.00 N ATOM 1203 CA LYS A 77 -7.414 6.287 -9.019 1.00 0.00 C ATOM 1204 C LYS A 77 -7.299 7.298 -7.876 1.00 0.00 C ATOM 1205 O LYS A 77 -8.236 7.470 -7.098 1.00 0.00 O ATOM 1206 CB LYS A 77 -8.183 6.815 -10.231 1.00 0.00 C ATOM 1207 CG LYS A 77 -7.231 7.434 -11.257 1.00 0.00 C ATOM 1208 CD LYS A 77 -7.802 7.321 -12.672 1.00 0.00 C ATOM 1209 CE LYS A 77 -7.123 8.313 -13.618 1.00 0.00 C ATOM 1210 NZ LYS A 77 -5.965 7.681 -14.289 1.00 0.00 N ATOM 0 H LYS A 77 -8.666 5.199 -7.739 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.402 6.089 -9.374 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -8.743 6.002 -10.693 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -8.910 7.560 -9.908 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -7.059 8.482 -11.013 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.264 6.933 -11.210 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -7.664 6.306 -13.044 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.875 7.509 -12.651 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -7.838 8.660 -14.364 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -6.793 9.189 -13.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.516 8.368 -14.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -5.276 7.371 -13.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -6.288 6.859 -14.838 1.00 0.00 H new ATOM 1224 N PHE A 78 -6.142 7.940 -7.810 1.00 0.00 N ATOM 1225 CA PHE A 78 -5.892 8.928 -6.775 1.00 0.00 C ATOM 1226 C PHE A 78 -6.265 10.332 -7.257 1.00 0.00 C ATOM 1227 O PHE A 78 -5.847 10.754 -8.334 1.00 0.00 O ATOM 1228 CB PHE A 78 -4.393 8.888 -6.470 1.00 0.00 C ATOM 1229 CG PHE A 78 -4.012 7.913 -5.354 1.00 0.00 C ATOM 1230 CD1 PHE A 78 -4.308 6.591 -5.475 1.00 0.00 C ATOM 1231 CD2 PHE A 78 -3.377 8.369 -4.240 1.00 0.00 C ATOM 1232 CE1 PHE A 78 -3.954 5.687 -4.439 1.00 0.00 C ATOM 1233 CE2 PHE A 78 -3.023 7.464 -3.205 1.00 0.00 C ATOM 1234 CZ PHE A 78 -3.319 6.142 -3.326 1.00 0.00 C ATOM 0 H PHE A 78 -5.367 7.795 -8.457 1.00 0.00 H new ATOM 0 HA PHE A 78 -6.492 8.703 -5.893 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.855 8.614 -7.377 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -4.062 9.889 -6.193 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -4.812 6.229 -6.359 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.142 9.419 -4.143 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -4.189 4.637 -4.535 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.518 7.825 -2.321 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.050 5.454 -2.538 1.00 0.00 H new ATOM 1244 N ILE A 79 -7.046 11.017 -6.435 1.00 0.00 N ATOM 1245 CA ILE A 79 -7.480 12.364 -6.763 1.00 0.00 C ATOM 1246 C ILE A 79 -6.822 13.356 -5.801 1.00 0.00 C ATOM 1247 O ILE A 79 -6.799 13.131 -4.592 1.00 0.00 O ATOM 1248 CB ILE A 79 -9.007 12.446 -6.781 1.00 0.00 C ATOM 1249 CG1 ILE A 79 -9.608 11.301 -7.598 1.00 0.00 C ATOM 1250 CG2 ILE A 79 -9.477 13.814 -7.280 1.00 0.00 C ATOM 1251 CD1 ILE A 79 -8.925 11.181 -8.961 1.00 0.00 C ATOM 0 H ILE A 79 -7.390 10.664 -5.542 1.00 0.00 H new ATOM 0 HA ILE A 79 -7.158 12.633 -7.769 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.367 12.335 -5.758 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -9.502 10.364 -7.051 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.676 11.470 -7.736 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -10.567 13.846 -7.283 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -9.093 14.593 -6.621 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -9.107 13.979 -8.292 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -9.372 10.359 -9.521 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -9.054 12.110 -9.516 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.862 10.988 -8.819 1.00 0.00 H new ATOM 1263 N ILE A 80 -6.303 14.432 -6.375 1.00 0.00 N ATOM 1264 CA ILE A 80 -5.646 15.458 -5.583 1.00 0.00 C ATOM 1265 C ILE A 80 -6.087 16.837 -6.078 1.00 0.00 C ATOM 1266 O ILE A 80 -5.814 17.207 -7.220 1.00 0.00 O ATOM 1267 CB ILE A 80 -4.130 15.256 -5.595 1.00 0.00 C ATOM 1268 CG1 ILE A 80 -3.774 13.774 -5.462 1.00 0.00 C ATOM 1269 CG2 ILE A 80 -3.455 16.107 -4.517 1.00 0.00 C ATOM 1270 CD1 ILE A 80 -2.350 13.598 -4.930 1.00 0.00 C ATOM 0 H ILE A 80 -6.324 14.615 -7.378 1.00 0.00 H new ATOM 0 HA ILE A 80 -5.945 15.383 -4.538 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.747 15.594 -6.558 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.480 13.286 -4.790 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -3.867 13.286 -6.432 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -2.378 15.945 -4.547 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.669 17.160 -4.698 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -3.837 15.823 -3.537 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -2.122 12.535 -4.845 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.645 14.067 -5.616 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.267 14.066 -3.949 1.00 0.00 H new ATOM 1282 N LYS A 81 -6.760 17.561 -5.196 1.00 0.00 N ATOM 1283 CA LYS A 81 -7.240 18.891 -5.529 1.00 0.00 C ATOM 1284 C LYS A 81 -6.322 19.935 -4.891 1.00 0.00 C ATOM 1285 O LYS A 81 -6.483 21.132 -5.122 1.00 0.00 O ATOM 1286 CB LYS A 81 -8.711 19.043 -5.136 1.00 0.00 C ATOM 1287 CG LYS A 81 -9.579 18.000 -5.844 1.00 0.00 C ATOM 1288 CD LYS A 81 -10.912 17.812 -5.118 1.00 0.00 C ATOM 1289 CE LYS A 81 -12.090 18.035 -6.068 1.00 0.00 C ATOM 1290 NZ LYS A 81 -12.684 19.373 -5.853 1.00 0.00 N ATOM 0 H LYS A 81 -6.984 17.251 -4.250 1.00 0.00 H new ATOM 0 HA LYS A 81 -7.203 19.051 -6.607 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.816 18.936 -4.056 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.058 20.044 -5.392 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -9.762 18.311 -6.872 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -9.048 17.049 -5.888 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.963 16.807 -4.699 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -10.977 18.509 -4.283 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -11.754 17.941 -7.101 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.845 17.265 -5.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -13.482 19.508 -6.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -13.022 19.449 -4.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -11.966 20.104 -6.029 1.00 0.00 H new ATOM 1304 N LYS A 82 -5.379 19.443 -4.100 1.00 0.00 N ATOM 1305 CA LYS A 82 -4.435 20.318 -3.427 1.00 0.00 C ATOM 1306 C LYS A 82 -3.059 19.651 -3.397 1.00 0.00 C ATOM 1307 O LYS A 82 -2.607 19.198 -2.347 1.00 0.00 O ATOM 1308 CB LYS A 82 -4.959 20.709 -2.044 1.00 0.00 C ATOM 1309 CG LYS A 82 -6.209 21.584 -2.158 1.00 0.00 C ATOM 1310 CD LYS A 82 -6.463 22.350 -0.858 1.00 0.00 C ATOM 1311 CE LYS A 82 -7.351 23.570 -1.104 1.00 0.00 C ATOM 1312 NZ LYS A 82 -6.903 24.713 -0.277 1.00 0.00 N ATOM 0 H LYS A 82 -5.249 18.449 -3.911 1.00 0.00 H new ATOM 0 HA LYS A 82 -4.324 21.253 -3.977 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -5.191 19.811 -1.472 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.184 21.245 -1.496 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -6.091 22.288 -2.982 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.073 20.962 -2.392 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -6.938 21.691 -0.131 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -5.513 22.668 -0.428 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -7.320 23.843 -2.159 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -8.387 23.327 -0.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -7.517 25.533 -0.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -6.955 24.455 0.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -5.922 24.955 -0.522 1.00 0.00 H new ATOM 1326 N PRO A 83 -2.414 19.610 -4.594 1.00 0.00 N ATOM 1327 CA PRO A 83 -1.098 19.005 -4.715 1.00 0.00 C ATOM 1328 C PRO A 83 -0.020 19.916 -4.125 1.00 0.00 C ATOM 1329 O PRO A 83 1.113 19.486 -3.912 1.00 0.00 O ATOM 1330 CB PRO A 83 -0.916 18.754 -6.202 1.00 0.00 C ATOM 1331 CG PRO A 83 -1.928 19.645 -6.903 1.00 0.00 C ATOM 1332 CD PRO A 83 -2.918 20.136 -5.859 1.00 0.00 C ATOM 0 HA PRO A 83 -1.009 18.074 -4.154 1.00 0.00 H new ATOM 0 HB2 PRO A 83 0.100 18.994 -6.517 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -1.085 17.705 -6.444 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.428 20.487 -7.381 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -2.444 19.093 -7.688 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -2.969 21.225 -5.843 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -3.925 19.773 -6.066 1.00 0.00 H new ATOM 1340 N GLU A 84 -0.409 21.158 -3.880 1.00 0.00 N ATOM 1341 CA GLU A 84 0.510 22.134 -3.319 1.00 0.00 C ATOM 1342 C GLU A 84 0.898 21.740 -1.892 1.00 0.00 C ATOM 1343 O GLU A 84 1.957 22.129 -1.403 1.00 0.00 O ATOM 1344 CB GLU A 84 -0.093 23.540 -3.355 1.00 0.00 C ATOM 1345 CG GLU A 84 -1.340 23.624 -2.473 1.00 0.00 C ATOM 1346 CD GLU A 84 -1.023 24.308 -1.141 1.00 0.00 C ATOM 1347 OE1 GLU A 84 0.137 24.173 -0.695 1.00 0.00 O ATOM 1348 OE2 GLU A 84 -1.948 24.950 -0.599 1.00 0.00 O ATOM 0 H GLU A 84 -1.349 21.511 -4.060 1.00 0.00 H new ATOM 0 HA GLU A 84 1.413 22.146 -3.930 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.646 24.266 -3.016 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.350 23.803 -4.381 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.122 24.177 -2.993 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -1.728 22.622 -2.289 1.00 0.00 H new ATOM 1355 N MET A 85 0.018 20.974 -1.265 1.00 0.00 N ATOM 1356 CA MET A 85 0.254 20.523 0.096 1.00 0.00 C ATOM 1357 C MET A 85 1.062 19.224 0.111 1.00 0.00 C ATOM 1358 O MET A 85 1.819 18.969 1.047 1.00 0.00 O ATOM 1359 CB MET A 85 -1.085 20.300 0.800 1.00 0.00 C ATOM 1360 CG MET A 85 -1.744 21.633 1.162 1.00 0.00 C ATOM 1361 SD MET A 85 -3.446 21.366 1.626 1.00 0.00 S ATOM 1362 CE MET A 85 -3.215 20.466 3.150 1.00 0.00 C ATOM 0 H MET A 85 -0.860 20.654 -1.674 1.00 0.00 H new ATOM 0 HA MET A 85 0.825 21.290 0.619 1.00 0.00 H new ATOM 0 HB2 MET A 85 -1.749 19.726 0.153 1.00 0.00 H new ATOM 0 HB3 MET A 85 -0.931 19.709 1.703 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.204 22.104 1.984 1.00 0.00 H new ATOM 0 HG3 MET A 85 -1.692 22.316 0.314 1.00 0.00 H new ATOM 0 HE1 MET A 85 -3.602 19.453 3.037 1.00 0.00 H new ATOM 0 HE2 MET A 85 -2.153 20.424 3.390 1.00 0.00 H new ATOM 0 HE3 MET A 85 -3.750 20.970 3.955 1.00 0.00 H new ATOM 1372 N PHE A 86 0.873 18.435 -0.937 1.00 0.00 N ATOM 1373 CA PHE A 86 1.575 17.168 -1.057 1.00 0.00 C ATOM 1374 C PHE A 86 3.083 17.388 -1.197 1.00 0.00 C ATOM 1375 O PHE A 86 3.878 16.600 -0.688 1.00 0.00 O ATOM 1376 CB PHE A 86 1.051 16.484 -2.321 1.00 0.00 C ATOM 1377 CG PHE A 86 0.023 15.383 -2.052 1.00 0.00 C ATOM 1378 CD1 PHE A 86 -1.173 15.693 -1.485 1.00 0.00 C ATOM 1379 CD2 PHE A 86 0.307 14.094 -2.381 1.00 0.00 C ATOM 1380 CE1 PHE A 86 -2.127 14.671 -1.236 1.00 0.00 C ATOM 1381 CE2 PHE A 86 -0.647 13.072 -2.132 1.00 0.00 C ATOM 1382 CZ PHE A 86 -1.844 13.382 -1.564 1.00 0.00 C ATOM 0 H PHE A 86 0.244 18.649 -1.711 1.00 0.00 H new ATOM 0 HA PHE A 86 1.405 16.562 -0.167 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.601 17.236 -2.969 1.00 0.00 H new ATOM 0 HB3 PHE A 86 1.893 16.056 -2.866 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -1.398 16.717 -1.224 1.00 0.00 H new ATOM 0 HD2 PHE A 86 1.257 13.848 -2.831 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.077 14.917 -0.786 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -0.422 12.048 -2.394 1.00 0.00 H new ATOM 0 HZ PHE A 86 -2.569 12.605 -1.374 1.00 0.00 H new ATOM 1392 N GLU A 87 3.430 18.462 -1.891 1.00 0.00 N ATOM 1393 CA GLU A 87 4.828 18.795 -2.105 1.00 0.00 C ATOM 1394 C GLU A 87 5.633 18.553 -0.827 1.00 0.00 C ATOM 1395 O GLU A 87 6.629 17.831 -0.843 1.00 0.00 O ATOM 1396 CB GLU A 87 4.981 20.240 -2.584 1.00 0.00 C ATOM 1397 CG GLU A 87 5.416 20.288 -4.050 1.00 0.00 C ATOM 1398 CD GLU A 87 6.106 21.615 -4.374 1.00 0.00 C ATOM 1399 OE1 GLU A 87 5.370 22.579 -4.674 1.00 0.00 O ATOM 1400 OE2 GLU A 87 7.355 21.634 -4.314 1.00 0.00 O ATOM 0 H GLU A 87 2.767 19.113 -2.312 1.00 0.00 H new ATOM 0 HA GLU A 87 5.220 18.145 -2.887 1.00 0.00 H new ATOM 0 HB2 GLU A 87 4.035 20.769 -2.464 1.00 0.00 H new ATOM 0 HB3 GLU A 87 5.716 20.756 -1.966 1.00 0.00 H new ATOM 0 HG2 GLU A 87 6.094 19.461 -4.259 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.547 20.159 -4.695 1.00 0.00 H new ATOM 1407 N THR A 88 5.172 19.171 0.251 1.00 0.00 N ATOM 1408 CA THR A 88 5.836 19.033 1.535 1.00 0.00 C ATOM 1409 C THR A 88 6.177 17.566 1.804 1.00 0.00 C ATOM 1410 O THR A 88 7.303 17.245 2.180 1.00 0.00 O ATOM 1411 CB THR A 88 4.934 19.653 2.604 1.00 0.00 C ATOM 1412 OG1 THR A 88 4.782 21.007 2.187 1.00 0.00 O ATOM 1413 CG2 THR A 88 5.625 19.757 3.965 1.00 0.00 C ATOM 0 H THR A 88 4.346 19.769 0.261 1.00 0.00 H new ATOM 0 HA THR A 88 6.788 19.563 1.546 1.00 0.00 H new ATOM 0 HB THR A 88 4.026 19.058 2.703 1.00 0.00 H new ATOM 0 HG1 THR A 88 4.209 21.483 2.824 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.941 20.204 4.687 1.00 0.00 H new ATOM 0 HG22 THR A 88 5.912 18.762 4.304 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.515 20.380 3.875 1.00 0.00 H new ATOM 1421 N ALA A 89 5.182 16.714 1.600 1.00 0.00 N ATOM 1422 CA ALA A 89 5.362 15.288 1.816 1.00 0.00 C ATOM 1423 C ALA A 89 6.499 14.781 0.925 1.00 0.00 C ATOM 1424 O ALA A 89 7.486 14.240 1.421 1.00 0.00 O ATOM 1425 CB ALA A 89 4.043 14.561 1.548 1.00 0.00 C ATOM 0 H ALA A 89 4.249 16.984 1.288 1.00 0.00 H new ATOM 0 HA ALA A 89 5.640 15.088 2.851 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.178 13.492 1.710 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.276 14.937 2.225 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.734 14.736 0.517 1.00 0.00 H new ATOM 1431 N ILE A 90 6.321 14.975 -0.373 1.00 0.00 N ATOM 1432 CA ILE A 90 7.319 14.545 -1.337 1.00 0.00 C ATOM 1433 C ILE A 90 8.701 15.016 -0.879 1.00 0.00 C ATOM 1434 O ILE A 90 9.668 14.258 -0.931 1.00 0.00 O ATOM 1435 CB ILE A 90 6.944 15.015 -2.744 1.00 0.00 C ATOM 1436 CG1 ILE A 90 5.565 14.489 -3.148 1.00 0.00 C ATOM 1437 CG2 ILE A 90 8.024 14.632 -3.757 1.00 0.00 C ATOM 1438 CD1 ILE A 90 4.682 15.619 -3.682 1.00 0.00 C ATOM 0 H ILE A 90 5.501 15.424 -0.780 1.00 0.00 H new ATOM 0 HA ILE A 90 7.354 13.457 -1.389 1.00 0.00 H new ATOM 0 HB ILE A 90 6.884 16.103 -2.736 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.675 13.718 -3.910 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.084 14.022 -2.289 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.732 14.978 -4.749 1.00 0.00 H new ATOM 0 HG22 ILE A 90 8.969 15.096 -3.474 1.00 0.00 H new ATOM 0 HG23 ILE A 90 8.142 13.548 -3.771 1.00 0.00 H new ATOM 0 HD11 ILE A 90 3.708 15.218 -3.962 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.554 16.377 -2.909 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.154 16.068 -4.556 1.00 0.00 H new ATOM 1450 N LYS A 91 8.750 16.266 -0.442 1.00 0.00 N ATOM 1451 CA LYS A 91 9.997 16.848 0.024 1.00 0.00 C ATOM 1452 C LYS A 91 10.597 15.953 1.110 1.00 0.00 C ATOM 1453 O LYS A 91 11.661 15.366 0.918 1.00 0.00 O ATOM 1454 CB LYS A 91 9.780 18.295 0.470 1.00 0.00 C ATOM 1455 CG LYS A 91 10.083 19.271 -0.668 1.00 0.00 C ATOM 1456 CD LYS A 91 8.852 20.113 -1.011 1.00 0.00 C ATOM 1457 CE LYS A 91 9.256 21.424 -1.688 1.00 0.00 C ATOM 1458 NZ LYS A 91 9.796 21.164 -3.041 1.00 0.00 N ATOM 0 H LYS A 91 7.946 16.892 -0.401 1.00 0.00 H new ATOM 0 HA LYS A 91 10.722 16.895 -0.788 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.750 18.426 0.802 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.421 18.516 1.324 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.907 19.925 -0.381 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.407 18.718 -1.550 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.192 19.548 -1.669 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.289 20.327 -0.103 1.00 0.00 H new ATOM 0 HE2 LYS A 91 8.393 22.086 -1.756 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.004 21.937 -1.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 10.579 21.820 -3.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.144 20.185 -3.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 9.045 21.303 -3.747 1.00 0.00 H new