USER MOD reduce.3.24.130724 H: found=0, std=0, add=662, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 664 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 38 ASN : amide:sc= 0 K(o=-0.4,f=-1.7) USER MOD Set 1.2: A 62 GLN :FLIP amide:sc= -0.404 F(o=-1.9,f=-0.4) USER MOD Set 2.1: A 8 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 92 THR OG1 : rot 180:sc= -0.273 USER MOD Single : A 6 HIS : no HD1:sc=-0.00763 X(o=-0.0076,f=-0.23) USER MOD Single : A 10 GLN : amide:sc= -2.51! C(o=-2.5!,f=-9.7!) USER MOD Single : A 15 CYS SG : rot 120:sc= -1.89 USER MOD Single : A 21 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00343) USER MOD Single : A 22 GLN : amide:sc= -0.139 K(o=-0.14,f=-2.3!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 35 THR OG1 : rot 29:sc= 0.0778 USER MOD Single : A 36 ASN : amide:sc= 0.77 K(o=0.77,f=-6.4!) USER MOD Single : A 42 GLN : amide:sc= -0.0676 K(o=-0.068,f=-1.4) USER MOD Single : A 45 LYS NZ :NH3+ 175:sc= -1.37 (180deg=-1.39) USER MOD Single : A 46 THR OG1 : rot -170:sc= 0.0374 USER MOD Single : A 47 ASN : amide:sc= -0.343 K(o=-0.34,f=-2.5!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -154:sc= 0.00456 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0564 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.274 X(o=-0.27,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0.31) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 77 N HIS A 6 -4.728 13.308 -3.095 1.00 0.00 N ATOM 78 CA HIS A 6 -5.208 11.933 -2.973 1.00 0.00 C ATOM 79 C HIS A 6 -4.154 10.935 -3.447 1.00 0.00 C ATOM 80 O HIS A 6 -3.405 11.211 -4.386 1.00 0.00 O ATOM 81 CB HIS A 6 -6.496 11.755 -3.782 1.00 0.00 C ATOM 82 CG HIS A 6 -7.689 12.423 -3.168 1.00 0.00 C ATOM 83 ND1 HIS A 6 -8.947 12.387 -3.734 1.00 0.00 N ATOM 84 CD2 HIS A 6 -7.813 13.149 -2.029 1.00 0.00 C ATOM 85 CE1 HIS A 6 -9.791 13.062 -2.971 1.00 0.00 C ATOM 86 NE2 HIS A 6 -9.126 13.533 -1.933 1.00 0.00 N ATOM 0 HA HIS A 6 -5.411 11.738 -1.920 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.343 12.154 -4.785 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.702 10.690 -3.891 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -7.025 13.381 -1.328 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -10.844 13.203 -3.164 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -9.525 14.093 -1.180 1.00 0.00 H new ATOM 95 N ILE A 7 -4.103 9.774 -2.793 1.00 0.00 N ATOM 96 CA ILE A 7 -3.140 8.734 -3.148 1.00 0.00 C ATOM 97 C ILE A 7 -3.815 7.605 -3.926 1.00 0.00 C ATOM 98 O ILE A 7 -4.921 7.181 -3.593 1.00 0.00 O ATOM 99 CB ILE A 7 -2.444 8.150 -1.896 1.00 0.00 C ATOM 100 CG1 ILE A 7 -1.494 9.181 -1.277 1.00 0.00 C ATOM 101 CG2 ILE A 7 -1.677 6.878 -2.246 1.00 0.00 C ATOM 102 CD1 ILE A 7 -2.190 10.398 -0.704 1.00 0.00 C ATOM 0 H ILE A 7 -4.717 9.531 -2.016 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.385 9.203 -3.778 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.216 7.901 -1.168 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.918 8.700 -0.487 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.783 9.506 -2.037 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.196 6.485 -1.350 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -2.368 6.134 -2.643 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.919 7.105 -2.995 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.448 11.078 -0.286 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.744 10.906 -1.494 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -2.880 10.087 0.080 1.00 0.00 H new ATOM 114 N THR A 8 -3.132 7.126 -4.962 1.00 0.00 N ATOM 115 CA THR A 8 -3.643 6.047 -5.801 1.00 0.00 C ATOM 116 C THR A 8 -3.282 4.679 -5.212 1.00 0.00 C ATOM 117 O THR A 8 -2.197 4.153 -5.467 1.00 0.00 O ATOM 118 CB THR A 8 -3.072 6.190 -7.216 1.00 0.00 C ATOM 119 OG1 THR A 8 -3.397 7.457 -7.765 1.00 0.00 O ATOM 120 CG2 THR A 8 -3.560 5.135 -8.180 1.00 0.00 C ATOM 0 H THR A 8 -2.214 7.472 -5.242 1.00 0.00 H new ATOM 0 HA THR A 8 -4.730 6.115 -5.842 1.00 0.00 H new ATOM 0 HB THR A 8 -1.995 6.072 -7.097 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.022 7.528 -8.668 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.113 5.302 -9.160 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.275 4.148 -7.815 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.645 5.192 -8.262 1.00 0.00 H new ATOM 128 N VAL A 9 -4.196 4.112 -4.422 1.00 0.00 N ATOM 129 CA VAL A 9 -3.973 2.810 -3.791 1.00 0.00 C ATOM 130 C VAL A 9 -4.979 1.768 -4.288 1.00 0.00 C ATOM 131 O VAL A 9 -6.153 1.801 -3.923 1.00 0.00 O ATOM 132 CB VAL A 9 -4.045 2.913 -2.247 1.00 0.00 C ATOM 133 CG1 VAL A 9 -5.419 3.380 -1.784 1.00 0.00 C ATOM 134 CG2 VAL A 9 -3.672 1.587 -1.596 1.00 0.00 C ATOM 0 H VAL A 9 -5.098 4.535 -4.204 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.971 2.487 -4.073 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.319 3.662 -1.931 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.435 3.441 -0.696 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.631 4.362 -2.206 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.176 2.671 -2.118 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.730 1.685 -0.512 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.363 0.812 -1.928 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.656 1.314 -1.882 1.00 0.00 H new ATOM 144 N GLN A 10 -4.512 0.844 -5.126 1.00 0.00 N ATOM 145 CA GLN A 10 -5.380 -0.201 -5.670 1.00 0.00 C ATOM 146 C GLN A 10 -4.802 -1.598 -5.441 1.00 0.00 C ATOM 147 O GLN A 10 -3.656 -1.748 -5.013 1.00 0.00 O ATOM 148 CB GLN A 10 -5.609 0.024 -7.166 1.00 0.00 C ATOM 149 CG GLN A 10 -4.339 0.273 -7.956 1.00 0.00 C ATOM 150 CD GLN A 10 -4.156 1.731 -8.333 1.00 0.00 C ATOM 151 OE1 GLN A 10 -4.779 2.618 -7.749 1.00 0.00 O ATOM 152 NE2 GLN A 10 -3.300 1.986 -9.317 1.00 0.00 N ATOM 0 H GLN A 10 -3.543 0.797 -5.442 1.00 0.00 H new ATOM 0 HA GLN A 10 -6.331 -0.140 -5.142 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -6.117 -0.847 -7.580 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.278 0.875 -7.296 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -3.481 -0.056 -7.369 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.356 -0.332 -8.862 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.805 1.220 -9.774 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.138 2.948 -9.616 1.00 0.00 H new ATOM 161 N PHE A 11 -5.612 -2.618 -5.735 1.00 0.00 N ATOM 162 CA PHE A 11 -5.198 -4.010 -5.572 1.00 0.00 C ATOM 163 C PHE A 11 -5.590 -4.841 -6.791 1.00 0.00 C ATOM 164 O PHE A 11 -6.620 -4.593 -7.419 1.00 0.00 O ATOM 165 CB PHE A 11 -5.829 -4.613 -4.316 1.00 0.00 C ATOM 166 CG PHE A 11 -5.464 -3.896 -3.046 1.00 0.00 C ATOM 167 CD1 PHE A 11 -4.328 -4.250 -2.335 1.00 0.00 C ATOM 168 CD2 PHE A 11 -6.256 -2.865 -2.565 1.00 0.00 C ATOM 169 CE1 PHE A 11 -3.991 -3.591 -1.168 1.00 0.00 C ATOM 170 CE2 PHE A 11 -5.923 -2.202 -1.400 1.00 0.00 C ATOM 171 CZ PHE A 11 -4.788 -2.565 -0.701 1.00 0.00 C ATOM 0 H PHE A 11 -6.562 -2.503 -6.088 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.113 -4.026 -5.471 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.913 -4.606 -4.427 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.524 -5.656 -4.233 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.699 -5.050 -2.697 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.144 -2.577 -3.108 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -3.105 -3.878 -0.622 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -6.549 -1.401 -1.036 1.00 0.00 H new ATOM 0 HZ PHE A 11 -4.525 -2.047 0.209 1.00 0.00 H new ATOM 181 N ALA A 12 -4.762 -5.833 -7.114 1.00 0.00 N ATOM 182 CA ALA A 12 -5.011 -6.711 -8.256 1.00 0.00 C ATOM 183 C ALA A 12 -4.097 -7.932 -8.219 1.00 0.00 C ATOM 184 O ALA A 12 -2.881 -7.810 -8.372 1.00 0.00 O ATOM 185 CB ALA A 12 -4.823 -5.954 -9.563 1.00 0.00 C ATOM 0 H ALA A 12 -3.909 -6.049 -6.598 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.043 -7.055 -8.194 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.013 -6.624 -10.402 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.520 -5.117 -9.602 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.801 -5.578 -9.622 1.00 0.00 H new ATOM 191 N GLY A 13 -4.690 -9.107 -8.019 1.00 0.00 N ATOM 192 CA GLY A 13 -3.913 -10.334 -7.969 1.00 0.00 C ATOM 193 C GLY A 13 -3.977 -11.011 -6.612 1.00 0.00 C ATOM 194 O GLY A 13 -2.953 -11.440 -6.080 1.00 0.00 O ATOM 0 H GLY A 13 -5.694 -9.231 -7.891 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.278 -11.022 -8.732 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.874 -10.112 -8.211 1.00 0.00 H new ATOM 198 N GLY A 14 -5.183 -11.110 -6.055 1.00 0.00 N ATOM 199 CA GLY A 14 -5.362 -11.743 -4.757 1.00 0.00 C ATOM 200 C GLY A 14 -4.967 -10.853 -3.586 1.00 0.00 C ATOM 201 O GLY A 14 -4.821 -11.342 -2.465 1.00 0.00 O ATOM 0 H GLY A 14 -6.042 -10.762 -6.481 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.406 -12.035 -4.645 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.770 -12.658 -4.723 1.00 0.00 H new ATOM 205 N CYS A 15 -4.800 -9.548 -3.830 1.00 0.00 N ATOM 206 CA CYS A 15 -4.426 -8.611 -2.768 1.00 0.00 C ATOM 207 C CYS A 15 -5.602 -7.716 -2.369 1.00 0.00 C ATOM 208 O CYS A 15 -5.654 -7.216 -1.244 1.00 0.00 O ATOM 209 CB CYS A 15 -3.236 -7.751 -3.203 1.00 0.00 C ATOM 210 SG CYS A 15 -1.995 -7.501 -1.910 1.00 0.00 S ATOM 0 H CYS A 15 -4.917 -9.120 -4.748 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.139 -9.200 -1.897 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -2.759 -8.219 -4.064 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -3.604 -6.779 -3.531 1.00 0.00 H new ATOM 0 HG CYS A 15 -0.852 -7.976 -2.308 1.00 0.00 H new ATOM 216 N GLU A 16 -6.543 -7.518 -3.293 1.00 0.00 N ATOM 217 CA GLU A 16 -7.721 -6.685 -3.037 1.00 0.00 C ATOM 218 C GLU A 16 -8.562 -7.230 -1.876 1.00 0.00 C ATOM 219 O GLU A 16 -9.324 -6.489 -1.255 1.00 0.00 O ATOM 220 CB GLU A 16 -8.574 -6.581 -4.303 1.00 0.00 C ATOM 221 CG GLU A 16 -9.001 -7.927 -4.871 1.00 0.00 C ATOM 222 CD GLU A 16 -8.809 -8.008 -6.373 1.00 0.00 C ATOM 223 OE1 GLU A 16 -7.693 -8.366 -6.809 1.00 0.00 O ATOM 224 OE2 GLU A 16 -9.772 -7.709 -7.110 1.00 0.00 O ATOM 0 H GLU A 16 -6.513 -7.924 -4.228 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.371 -5.693 -2.753 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.464 -5.992 -4.082 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.013 -6.038 -5.064 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.427 -8.719 -4.391 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.050 -8.103 -4.632 1.00 0.00 H new ATOM 231 N LEU A 17 -8.414 -8.525 -1.584 1.00 0.00 N ATOM 232 CA LEU A 17 -9.158 -9.156 -0.494 1.00 0.00 C ATOM 233 C LEU A 17 -8.703 -8.650 0.882 1.00 0.00 C ATOM 234 O LEU A 17 -9.313 -8.985 1.897 1.00 0.00 O ATOM 235 CB LEU A 17 -9.010 -10.680 -0.556 1.00 0.00 C ATOM 236 CG LEU A 17 -9.731 -11.361 -1.721 1.00 0.00 C ATOM 237 CD1 LEU A 17 -8.898 -11.271 -2.994 1.00 0.00 C ATOM 238 CD2 LEU A 17 -10.041 -12.812 -1.381 1.00 0.00 C ATOM 0 H LEU A 17 -7.788 -9.154 -2.086 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.206 -8.885 -0.623 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.949 -10.923 -0.615 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -9.383 -11.103 0.377 1.00 0.00 H new ATOM 0 HG LEU A 17 -10.673 -10.841 -1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.428 -11.761 -3.811 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.731 -10.224 -3.246 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.939 -11.764 -2.837 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.554 -13.281 -2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.112 -13.345 -1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -10.680 -12.850 -0.499 1.00 0.00 H new ATOM 250 N LEU A 18 -7.637 -7.841 0.923 1.00 0.00 N ATOM 251 CA LEU A 18 -7.131 -7.306 2.187 1.00 0.00 C ATOM 252 C LEU A 18 -7.862 -6.018 2.604 1.00 0.00 C ATOM 253 O LEU A 18 -7.421 -5.323 3.523 1.00 0.00 O ATOM 254 CB LEU A 18 -5.625 -7.037 2.084 1.00 0.00 C ATOM 255 CG LEU A 18 -4.750 -8.278 1.884 1.00 0.00 C ATOM 256 CD1 LEU A 18 -3.354 -7.877 1.432 1.00 0.00 C ATOM 257 CD2 LEU A 18 -4.684 -9.098 3.165 1.00 0.00 C ATOM 0 H LEU A 18 -7.113 -7.546 0.099 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.318 -8.057 2.954 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.451 -6.353 1.254 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.301 -6.527 2.991 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.199 -8.895 1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.745 -8.771 1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.419 -7.334 0.489 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.896 -7.239 2.188 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -4.058 -9.976 3.003 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.259 -8.491 3.964 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.688 -9.415 3.446 1.00 0.00 H new ATOM 269 N PHE A 19 -8.979 -5.704 1.940 1.00 0.00 N ATOM 270 CA PHE A 19 -9.754 -4.505 2.258 1.00 0.00 C ATOM 271 C PHE A 19 -11.236 -4.760 2.024 1.00 0.00 C ATOM 272 O PHE A 19 -12.035 -4.730 2.961 1.00 0.00 O ATOM 273 CB PHE A 19 -9.275 -3.318 1.414 1.00 0.00 C ATOM 274 CG PHE A 19 -9.784 -1.984 1.893 1.00 0.00 C ATOM 275 CD1 PHE A 19 -11.056 -1.546 1.553 1.00 0.00 C ATOM 276 CD2 PHE A 19 -8.989 -1.166 2.679 1.00 0.00 C ATOM 277 CE1 PHE A 19 -11.523 -0.319 1.989 1.00 0.00 C ATOM 278 CE2 PHE A 19 -9.448 0.062 3.116 1.00 0.00 C ATOM 279 CZ PHE A 19 -10.717 0.484 2.772 1.00 0.00 C ATOM 0 H PHE A 19 -9.365 -6.264 1.180 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.604 -4.262 3.310 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.185 -3.301 1.414 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -9.592 -3.467 0.382 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -11.689 -2.171 0.940 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -7.997 -1.492 2.954 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -12.515 0.010 1.718 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -8.815 0.690 3.725 1.00 0.00 H new ATOM 0 HZ PHE A 19 -11.079 1.442 3.115 1.00 0.00 H new ATOM 289 N ALA A 20 -11.594 -5.021 0.771 1.00 0.00 N ATOM 290 CA ALA A 20 -12.977 -5.299 0.403 1.00 0.00 C ATOM 291 C ALA A 20 -13.089 -5.662 -1.078 1.00 0.00 C ATOM 292 O ALA A 20 -14.056 -5.291 -1.745 1.00 0.00 O ATOM 293 CB ALA A 20 -13.860 -4.101 0.734 1.00 0.00 C ATOM 0 H ALA A 20 -10.940 -5.046 -0.011 1.00 0.00 H new ATOM 0 HA ALA A 20 -13.321 -6.156 0.982 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -14.891 -4.320 0.455 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -13.810 -3.896 1.803 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -13.512 -3.229 0.181 1.00 0.00 H new ATOM 299 N LYS A 21 -12.086 -6.387 -1.586 1.00 0.00 N ATOM 300 CA LYS A 21 -12.058 -6.795 -2.991 1.00 0.00 C ATOM 301 C LYS A 21 -12.295 -5.592 -3.908 1.00 0.00 C ATOM 302 O LYS A 21 -12.932 -5.707 -4.957 1.00 0.00 O ATOM 303 CB LYS A 21 -13.108 -7.883 -3.247 1.00 0.00 C ATOM 304 CG LYS A 21 -12.967 -9.089 -2.327 1.00 0.00 C ATOM 305 CD LYS A 21 -13.944 -9.028 -1.159 1.00 0.00 C ATOM 306 CE LYS A 21 -14.520 -10.400 -0.835 1.00 0.00 C ATOM 307 NZ LYS A 21 -13.472 -11.367 -0.396 1.00 0.00 N ATOM 0 H LYS A 21 -11.283 -6.703 -1.042 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.072 -7.203 -3.214 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.102 -7.454 -3.122 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.032 -8.215 -4.283 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -13.138 -10.002 -2.897 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.947 -9.138 -1.945 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.437 -8.630 -0.280 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.755 -8.340 -1.398 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.270 -10.300 -0.050 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.029 -10.794 -1.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -13.917 -12.275 -0.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.788 -11.510 -1.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.980 -10.990 0.439 1.00 0.00 H new ATOM 321 N GLN A 22 -11.778 -4.431 -3.495 1.00 0.00 N ATOM 322 CA GLN A 22 -11.930 -3.201 -4.263 1.00 0.00 C ATOM 323 C GLN A 22 -10.949 -3.158 -5.428 1.00 0.00 C ATOM 324 O GLN A 22 -10.021 -3.963 -5.501 1.00 0.00 O ATOM 325 CB GLN A 22 -11.723 -1.980 -3.359 1.00 0.00 C ATOM 326 CG GLN A 22 -13.019 -1.304 -2.940 1.00 0.00 C ATOM 327 CD GLN A 22 -13.421 -0.171 -3.868 1.00 0.00 C ATOM 328 OE1 GLN A 22 -12.586 0.397 -4.571 1.00 0.00 O ATOM 329 NE2 GLN A 22 -14.708 0.165 -3.874 1.00 0.00 N ATOM 0 H GLN A 22 -11.250 -4.322 -2.629 1.00 0.00 H new ATOM 0 HA GLN A 22 -12.942 -3.179 -4.666 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -11.179 -2.288 -2.466 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -11.097 -1.255 -3.880 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -13.817 -2.045 -2.913 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -12.910 -0.916 -1.927 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -15.368 -0.332 -3.275 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -15.035 0.920 -4.477 1.00 0.00 H new ATOM 338 N THR A 23 -11.164 -2.213 -6.340 1.00 0.00 N ATOM 339 CA THR A 23 -10.297 -2.070 -7.502 1.00 0.00 C ATOM 340 C THR A 23 -9.290 -0.933 -7.311 1.00 0.00 C ATOM 341 O THR A 23 -8.176 -1.003 -7.827 1.00 0.00 O ATOM 342 CB THR A 23 -11.136 -1.837 -8.764 1.00 0.00 C ATOM 343 OG1 THR A 23 -12.033 -0.753 -8.584 1.00 0.00 O ATOM 344 CG2 THR A 23 -11.955 -3.045 -9.172 1.00 0.00 C ATOM 0 H THR A 23 -11.928 -1.539 -6.296 1.00 0.00 H new ATOM 0 HA THR A 23 -9.734 -2.996 -7.617 1.00 0.00 H new ATOM 0 HB THR A 23 -10.413 -1.623 -9.551 1.00 0.00 H new ATOM 0 HG1 THR A 23 -12.556 -0.622 -9.402 1.00 0.00 H new ATOM 0 HG21 THR A 23 -12.524 -2.812 -10.072 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.290 -3.885 -9.371 1.00 0.00 H new ATOM 0 HG23 THR A 23 -12.641 -3.308 -8.367 1.00 0.00 H new ATOM 352 N SER A 24 -9.678 0.109 -6.569 1.00 0.00 N ATOM 353 CA SER A 24 -8.791 1.244 -6.318 1.00 0.00 C ATOM 354 C SER A 24 -9.368 2.174 -5.254 1.00 0.00 C ATOM 355 O SER A 24 -10.585 2.331 -5.151 1.00 0.00 O ATOM 356 CB SER A 24 -8.539 2.022 -7.611 1.00 0.00 C ATOM 357 OG SER A 24 -9.741 2.562 -8.134 1.00 0.00 O ATOM 0 H SER A 24 -10.597 0.188 -6.134 1.00 0.00 H new ATOM 0 HA SER A 24 -7.844 0.850 -5.949 1.00 0.00 H new ATOM 0 HB2 SER A 24 -7.830 2.827 -7.420 1.00 0.00 H new ATOM 0 HB3 SER A 24 -8.083 1.364 -8.350 1.00 0.00 H new ATOM 0 HG SER A 24 -9.547 3.055 -8.959 1.00 0.00 H new ATOM 363 N LEU A 25 -8.487 2.789 -4.461 1.00 0.00 N ATOM 364 CA LEU A 25 -8.917 3.700 -3.400 1.00 0.00 C ATOM 365 C LEU A 25 -8.107 5.000 -3.416 1.00 0.00 C ATOM 366 O LEU A 25 -7.063 5.084 -4.064 1.00 0.00 O ATOM 367 CB LEU A 25 -8.780 3.018 -2.034 1.00 0.00 C ATOM 368 CG LEU A 25 -10.001 3.138 -1.118 1.00 0.00 C ATOM 369 CD1 LEU A 25 -11.132 2.247 -1.613 1.00 0.00 C ATOM 370 CD2 LEU A 25 -9.628 2.786 0.315 1.00 0.00 C ATOM 0 H LEU A 25 -7.476 2.673 -4.534 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.963 3.951 -3.578 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.569 1.961 -2.194 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.917 3.441 -1.520 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.347 4.171 -1.139 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.991 2.346 -0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.417 2.547 -2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -10.799 1.209 -1.623 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -10.507 2.877 0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.256 1.762 0.353 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.853 3.467 0.667 1.00 0.00 H new ATOM 382 N GLN A 26 -8.598 6.007 -2.688 1.00 0.00 N ATOM 383 CA GLN A 26 -7.924 7.301 -2.609 1.00 0.00 C ATOM 384 C GLN A 26 -7.811 7.763 -1.157 1.00 0.00 C ATOM 385 O GLN A 26 -8.822 8.004 -0.493 1.00 0.00 O ATOM 386 CB GLN A 26 -8.676 8.350 -3.434 1.00 0.00 C ATOM 387 CG GLN A 26 -8.167 8.480 -4.862 1.00 0.00 C ATOM 388 CD GLN A 26 -8.880 9.567 -5.645 1.00 0.00 C ATOM 389 OE1 GLN A 26 -10.091 9.748 -5.515 1.00 0.00 O ATOM 390 NE2 GLN A 26 -8.131 10.300 -6.462 1.00 0.00 N ATOM 0 H GLN A 26 -9.460 5.949 -2.146 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.920 7.185 -3.018 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.735 8.092 -3.456 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.594 9.317 -2.938 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.098 8.694 -4.844 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.293 7.527 -5.376 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.131 10.116 -6.539 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.556 11.047 -7.012 1.00 0.00 H new ATOM 399 N LEU A 27 -6.576 7.883 -0.669 1.00 0.00 N ATOM 400 CA LEU A 27 -6.334 8.315 0.706 1.00 0.00 C ATOM 401 C LEU A 27 -6.075 9.819 0.768 1.00 0.00 C ATOM 402 O LEU A 27 -5.384 10.371 -0.089 1.00 0.00 O ATOM 403 CB LEU A 27 -5.146 7.556 1.301 1.00 0.00 C ATOM 404 CG LEU A 27 -5.289 6.031 1.326 1.00 0.00 C ATOM 405 CD1 LEU A 27 -3.920 5.370 1.373 1.00 0.00 C ATOM 406 CD2 LEU A 27 -6.136 5.597 2.515 1.00 0.00 C ATOM 0 H LEU A 27 -5.730 7.687 -1.205 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.227 8.094 1.291 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.252 7.811 0.733 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.986 7.906 2.321 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.791 5.714 0.412 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.039 4.287 1.390 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.347 5.658 0.492 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.392 5.691 2.271 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.228 4.511 2.519 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.660 5.924 3.439 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.127 6.045 2.439 1.00 0.00 H new ATOM 504 N THR A 35 5.185 11.621 6.991 1.00 0.00 N ATOM 505 CA THR A 35 4.473 10.510 6.364 1.00 0.00 C ATOM 506 C THR A 35 5.305 9.887 5.243 1.00 0.00 C ATOM 507 O THR A 35 5.809 10.590 4.364 1.00 0.00 O ATOM 508 CB THR A 35 3.120 10.980 5.816 1.00 0.00 C ATOM 509 OG1 THR A 35 2.328 11.552 6.845 1.00 0.00 O ATOM 510 CG2 THR A 35 2.309 9.871 5.181 1.00 0.00 C ATOM 0 HA THR A 35 4.301 9.750 7.126 1.00 0.00 H new ATOM 0 HB THR A 35 3.365 11.715 5.050 1.00 0.00 H new ATOM 0 HG1 THR A 35 2.912 11.943 7.528 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.365 10.274 4.815 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.867 9.443 4.349 1.00 0.00 H new ATOM 0 HG23 THR A 35 2.110 9.096 5.921 1.00 0.00 H new ATOM 518 N ASN A 36 5.444 8.562 5.288 1.00 0.00 N ATOM 519 CA ASN A 36 6.216 7.831 4.287 1.00 0.00 C ATOM 520 C ASN A 36 5.502 6.534 3.895 1.00 0.00 C ATOM 521 O ASN A 36 4.339 6.330 4.245 1.00 0.00 O ATOM 522 CB ASN A 36 7.620 7.532 4.831 1.00 0.00 C ATOM 523 CG ASN A 36 7.602 6.571 6.007 1.00 0.00 C ATOM 524 OD1 ASN A 36 7.842 5.377 5.848 1.00 0.00 O ATOM 525 ND2 ASN A 36 7.311 7.088 7.199 1.00 0.00 N ATOM 0 H ASN A 36 5.030 7.973 6.010 1.00 0.00 H new ATOM 0 HA ASN A 36 6.308 8.448 3.393 1.00 0.00 H new ATOM 0 HB2 ASN A 36 8.232 7.111 4.033 1.00 0.00 H new ATOM 0 HB3 ASN A 36 8.093 8.465 5.137 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.281 6.487 8.022 1.00 0.00 H new ATOM 0 HD22 ASN A 36 7.118 8.085 7.289 1.00 0.00 H new ATOM 532 N LEU A 37 6.201 5.661 3.165 1.00 0.00 N ATOM 533 CA LEU A 37 5.622 4.391 2.731 1.00 0.00 C ATOM 534 C LEU A 37 5.127 3.578 3.920 1.00 0.00 C ATOM 535 O LEU A 37 4.058 2.971 3.860 1.00 0.00 O ATOM 536 CB LEU A 37 6.638 3.575 1.930 1.00 0.00 C ATOM 537 CG LEU A 37 6.035 2.440 1.103 1.00 0.00 C ATOM 538 CD1 LEU A 37 6.601 2.450 -0.308 1.00 0.00 C ATOM 539 CD2 LEU A 37 6.274 1.093 1.779 1.00 0.00 C ATOM 0 H LEU A 37 7.164 5.811 2.864 1.00 0.00 H new ATOM 0 HA LEU A 37 4.771 4.621 2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.177 4.246 1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.371 3.155 2.619 1.00 0.00 H new ATOM 0 HG LEU A 37 4.958 2.596 1.038 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.161 1.635 -0.883 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.366 3.400 -0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.683 2.322 -0.267 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.837 0.299 1.173 1.00 0.00 H new ATOM 0 HD22 LEU A 37 7.346 0.922 1.882 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.811 1.094 2.766 1.00 0.00 H new ATOM 551 N ASN A 38 5.899 3.587 5.005 1.00 0.00 N ATOM 552 CA ASN A 38 5.522 2.867 6.218 1.00 0.00 C ATOM 553 C ASN A 38 4.170 3.365 6.713 1.00 0.00 C ATOM 554 O ASN A 38 3.346 2.588 7.195 1.00 0.00 O ATOM 555 CB ASN A 38 6.584 3.057 7.306 1.00 0.00 C ATOM 556 CG ASN A 38 6.422 2.082 8.459 1.00 0.00 C ATOM 557 OD1 ASN A 38 5.667 1.112 8.370 1.00 0.00 O ATOM 558 ND2 ASN A 38 7.140 2.329 9.551 1.00 0.00 N ATOM 0 H ASN A 38 6.787 4.084 5.068 1.00 0.00 H new ATOM 0 HA ASN A 38 5.450 1.804 5.988 1.00 0.00 H new ATOM 0 HB2 ASN A 38 7.574 2.933 6.867 1.00 0.00 H new ATOM 0 HB3 ASN A 38 6.529 4.077 7.687 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.077 1.704 10.355 1.00 0.00 H new ATOM 0 HD22 ASN A 38 7.754 3.143 9.585 1.00 0.00 H new ATOM 565 N GLY A 39 3.943 4.670 6.562 1.00 0.00 N ATOM 566 CA GLY A 39 2.685 5.257 6.967 1.00 0.00 C ATOM 567 C GLY A 39 1.558 4.904 6.012 1.00 0.00 C ATOM 568 O GLY A 39 0.411 4.766 6.429 1.00 0.00 O ATOM 0 H GLY A 39 4.613 5.328 6.165 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.431 4.914 7.970 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.791 6.341 7.018 1.00 0.00 H new ATOM 572 N LEU A 40 1.890 4.744 4.724 1.00 0.00 N ATOM 573 CA LEU A 40 0.894 4.393 3.715 1.00 0.00 C ATOM 574 C LEU A 40 0.305 3.013 3.995 1.00 0.00 C ATOM 575 O LEU A 40 -0.915 2.838 4.008 1.00 0.00 O ATOM 576 CB LEU A 40 1.513 4.421 2.313 1.00 0.00 C ATOM 577 CG LEU A 40 1.599 5.803 1.663 1.00 0.00 C ATOM 578 CD1 LEU A 40 2.601 5.792 0.514 1.00 0.00 C ATOM 579 CD2 LEU A 40 0.225 6.248 1.176 1.00 0.00 C ATOM 0 H LEU A 40 2.837 4.852 4.362 1.00 0.00 H new ATOM 0 HA LEU A 40 0.094 5.131 3.761 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.517 4.001 2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.930 3.768 1.663 1.00 0.00 H new ATOM 0 HG LEU A 40 1.946 6.517 2.411 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.649 6.783 0.064 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.586 5.517 0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.286 5.067 -0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.303 7.233 0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.150 5.534 0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.463 6.296 2.020 1.00 0.00 H new ATOM 591 N VAL A 41 1.184 2.037 4.219 1.00 0.00 N ATOM 592 CA VAL A 41 0.752 0.670 4.504 1.00 0.00 C ATOM 593 C VAL A 41 -0.016 0.602 5.823 1.00 0.00 C ATOM 594 O VAL A 41 -1.141 0.106 5.864 1.00 0.00 O ATOM 595 CB VAL A 41 1.931 -0.335 4.543 1.00 0.00 C ATOM 596 CG1 VAL A 41 2.139 -0.951 3.170 1.00 0.00 C ATOM 597 CG2 VAL A 41 3.221 0.311 5.036 1.00 0.00 C ATOM 0 H VAL A 41 2.196 2.167 4.209 1.00 0.00 H new ATOM 0 HA VAL A 41 0.096 0.383 3.682 1.00 0.00 H new ATOM 0 HB VAL A 41 1.670 -1.118 5.255 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.970 -1.655 3.209 1.00 0.00 H new ATOM 0 HG12 VAL A 41 1.233 -1.475 2.865 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.364 -0.165 2.449 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.019 -0.432 5.046 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.496 1.129 4.370 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.072 0.698 6.044 1.00 0.00 H new ATOM 607 N GLN A 42 0.594 1.112 6.890 1.00 0.00 N ATOM 608 CA GLN A 42 -0.033 1.124 8.215 1.00 0.00 C ATOM 609 C GLN A 42 -1.396 1.833 8.197 1.00 0.00 C ATOM 610 O GLN A 42 -2.271 1.528 9.009 1.00 0.00 O ATOM 611 CB GLN A 42 0.892 1.808 9.224 1.00 0.00 C ATOM 612 CG GLN A 42 0.364 1.789 10.651 1.00 0.00 C ATOM 613 CD GLN A 42 -0.068 3.161 11.137 1.00 0.00 C ATOM 614 OE1 GLN A 42 -0.520 3.998 10.353 1.00 0.00 O ATOM 615 NE2 GLN A 42 0.069 3.400 12.436 1.00 0.00 N ATOM 0 H GLN A 42 1.526 1.525 6.865 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.200 0.088 8.510 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.866 1.319 9.200 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.047 2.842 8.918 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.482 1.104 10.711 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.137 1.400 11.314 1.00 0.00 H new ATOM 0 HE21 GLN A 42 0.448 2.679 13.050 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -0.204 4.305 12.820 1.00 0.00 H new ATOM 624 N LEU A 43 -1.576 2.775 7.266 1.00 0.00 N ATOM 625 CA LEU A 43 -2.834 3.515 7.148 1.00 0.00 C ATOM 626 C LEU A 43 -3.851 2.735 6.306 1.00 0.00 C ATOM 627 O LEU A 43 -5.042 3.048 6.308 1.00 0.00 O ATOM 628 CB LEU A 43 -2.575 4.892 6.525 1.00 0.00 C ATOM 629 CG LEU A 43 -3.748 5.876 6.582 1.00 0.00 C ATOM 630 CD1 LEU A 43 -3.527 6.916 7.671 1.00 0.00 C ATOM 631 CD2 LEU A 43 -3.943 6.548 5.229 1.00 0.00 C ATOM 0 H LEU A 43 -0.866 3.042 6.584 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.250 3.647 8.147 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.720 5.344 7.029 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.292 4.751 5.482 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.653 5.319 6.825 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.372 7.604 7.694 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.438 6.418 8.637 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.612 7.471 7.464 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.780 7.244 5.286 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.037 7.091 4.958 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.152 5.791 4.473 1.00 0.00 H new ATOM 643 N LEU A 44 -3.370 1.717 5.588 1.00 0.00 N ATOM 644 CA LEU A 44 -4.225 0.886 4.749 1.00 0.00 C ATOM 645 C LEU A 44 -4.633 -0.397 5.484 1.00 0.00 C ATOM 646 O LEU A 44 -5.818 -0.733 5.553 1.00 0.00 O ATOM 647 CB LEU A 44 -3.498 0.562 3.430 1.00 0.00 C ATOM 648 CG LEU A 44 -4.067 -0.601 2.606 1.00 0.00 C ATOM 649 CD1 LEU A 44 -3.571 -1.934 3.149 1.00 0.00 C ATOM 650 CD2 LEU A 44 -5.589 -0.556 2.583 1.00 0.00 C ATOM 0 H LEU A 44 -2.386 1.450 5.574 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.138 1.435 4.520 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.504 1.457 2.808 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.456 0.340 3.660 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.713 -0.498 1.580 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.985 -2.747 2.552 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.483 -1.965 3.099 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.890 -2.046 4.185 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.969 -1.390 1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.971 -0.628 3.601 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -5.919 0.383 2.138 1.00 0.00 H new ATOM 662 N LYS A 45 -3.644 -1.120 6.023 1.00 0.00 N ATOM 663 CA LYS A 45 -3.909 -2.366 6.736 1.00 0.00 C ATOM 664 C LYS A 45 -4.239 -2.126 8.211 1.00 0.00 C ATOM 665 O LYS A 45 -5.377 -2.320 8.627 1.00 0.00 O ATOM 666 CB LYS A 45 -2.730 -3.341 6.598 1.00 0.00 C ATOM 667 CG LYS A 45 -1.360 -2.685 6.518 1.00 0.00 C ATOM 668 CD LYS A 45 -0.256 -3.658 6.895 1.00 0.00 C ATOM 669 CE LYS A 45 1.058 -3.297 6.219 1.00 0.00 C ATOM 670 NZ LYS A 45 2.033 -4.421 6.257 1.00 0.00 N ATOM 0 H LYS A 45 -2.658 -0.861 5.977 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.788 -2.816 6.274 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -2.741 -4.023 7.448 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -2.880 -3.945 5.703 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.191 -2.315 5.507 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.329 -1.822 7.183 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.122 -3.657 7.977 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.547 -4.669 6.610 1.00 0.00 H new ATOM 0 HE2 LYS A 45 0.868 -3.017 5.183 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.491 -2.425 6.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.881 -4.163 5.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.300 -4.616 7.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.600 -5.270 5.841 1.00 0.00 H new ATOM 684 N THR A 46 -3.250 -1.705 9.001 1.00 0.00 N ATOM 685 CA THR A 46 -3.467 -1.448 10.430 1.00 0.00 C ATOM 686 C THR A 46 -4.703 -0.571 10.659 1.00 0.00 C ATOM 687 O THR A 46 -5.386 -0.704 11.674 1.00 0.00 O ATOM 688 CB THR A 46 -2.232 -0.791 11.052 1.00 0.00 C ATOM 689 OG1 THR A 46 -1.044 -1.366 10.536 1.00 0.00 O ATOM 690 CG2 THR A 46 -2.181 -0.912 12.561 1.00 0.00 C ATOM 0 H THR A 46 -2.297 -1.535 8.681 1.00 0.00 H new ATOM 0 HA THR A 46 -3.639 -2.409 10.916 1.00 0.00 H new ATOM 0 HB THR A 46 -2.307 0.265 10.791 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.275 -1.049 11.054 1.00 0.00 H new ATOM 0 HG21 THR A 46 -1.280 -0.425 12.935 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.059 -0.433 12.994 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.167 -1.965 12.841 1.00 0.00 H new ATOM 698 N ASN A 47 -4.986 0.317 9.706 1.00 0.00 N ATOM 699 CA ASN A 47 -6.139 1.208 9.800 1.00 0.00 C ATOM 700 C ASN A 47 -7.447 0.468 9.489 1.00 0.00 C ATOM 701 O ASN A 47 -8.492 0.785 10.061 1.00 0.00 O ATOM 702 CB ASN A 47 -5.964 2.392 8.847 1.00 0.00 C ATOM 703 CG ASN A 47 -6.469 3.703 9.426 1.00 0.00 C ATOM 704 OD1 ASN A 47 -6.716 3.813 10.628 1.00 0.00 O ATOM 705 ND2 ASN A 47 -6.622 4.709 8.570 1.00 0.00 N ATOM 0 H ASN A 47 -4.430 0.437 8.859 1.00 0.00 H new ATOM 0 HA ASN A 47 -6.199 1.575 10.825 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -4.908 2.495 8.596 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -6.494 2.184 7.918 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -6.955 5.614 8.901 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -6.406 4.575 7.582 1.00 0.00 H new ATOM 712 N TYR A 48 -7.390 -0.509 8.575 1.00 0.00 N ATOM 713 CA TYR A 48 -8.579 -1.277 8.195 1.00 0.00 C ATOM 714 C TYR A 48 -8.315 -2.791 8.224 1.00 0.00 C ATOM 715 O TYR A 48 -8.818 -3.488 9.102 1.00 0.00 O ATOM 716 CB TYR A 48 -9.051 -0.852 6.800 1.00 0.00 C ATOM 717 CG TYR A 48 -10.500 -1.185 6.517 1.00 0.00 C ATOM 718 CD1 TYR A 48 -11.522 -0.368 6.980 1.00 0.00 C ATOM 719 CD2 TYR A 48 -10.845 -2.313 5.780 1.00 0.00 C ATOM 720 CE1 TYR A 48 -12.847 -0.662 6.719 1.00 0.00 C ATOM 721 CE2 TYR A 48 -12.167 -2.612 5.511 1.00 0.00 C ATOM 722 CZ TYR A 48 -13.165 -1.785 5.982 1.00 0.00 C ATOM 723 OH TYR A 48 -14.481 -2.078 5.714 1.00 0.00 O ATOM 0 H TYR A 48 -6.537 -0.784 8.088 1.00 0.00 H new ATOM 0 HA TYR A 48 -9.360 -1.065 8.926 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -8.907 0.223 6.690 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.424 -1.336 6.051 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -11.278 0.513 7.555 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -10.067 -2.966 5.412 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -13.629 -0.016 7.090 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -12.418 -3.490 4.934 1.00 0.00 H new ATOM 0 HH TYR A 48 -14.532 -2.901 5.184 1.00 0.00 H new ATOM 733 N VAL A 49 -7.527 -3.280 7.251 1.00 0.00 N ATOM 734 CA VAL A 49 -7.176 -4.707 7.128 1.00 0.00 C ATOM 735 C VAL A 49 -8.313 -5.649 7.564 1.00 0.00 C ATOM 736 O VAL A 49 -8.392 -6.066 8.722 1.00 0.00 O ATOM 737 CB VAL A 49 -5.872 -5.056 7.899 1.00 0.00 C ATOM 738 CG1 VAL A 49 -6.039 -4.894 9.406 1.00 0.00 C ATOM 739 CG2 VAL A 49 -5.404 -6.464 7.554 1.00 0.00 C ATOM 0 H VAL A 49 -7.114 -2.695 6.525 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.006 -4.869 6.064 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.107 -4.348 7.582 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.104 -5.148 9.905 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.303 -3.861 9.634 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.830 -5.557 9.758 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.490 -6.689 8.104 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.178 -7.182 7.827 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.209 -6.531 6.484 1.00 0.00 H new ATOM 749 N LYS A 50 -9.180 -5.999 6.615 1.00 0.00 N ATOM 750 CA LYS A 50 -10.296 -6.906 6.893 1.00 0.00 C ATOM 751 C LYS A 50 -9.803 -8.347 7.071 1.00 0.00 C ATOM 752 O LYS A 50 -10.385 -9.115 7.837 1.00 0.00 O ATOM 753 CB LYS A 50 -11.341 -6.845 5.772 1.00 0.00 C ATOM 754 CG LYS A 50 -10.777 -7.130 4.388 1.00 0.00 C ATOM 755 CD LYS A 50 -11.710 -8.006 3.564 1.00 0.00 C ATOM 756 CE LYS A 50 -11.463 -9.486 3.821 1.00 0.00 C ATOM 757 NZ LYS A 50 -12.660 -10.174 4.381 1.00 0.00 N ATOM 0 H LYS A 50 -9.133 -5.671 5.650 1.00 0.00 H new ATOM 0 HA LYS A 50 -10.761 -6.581 7.824 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -12.132 -7.564 5.986 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.800 -5.857 5.770 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -10.606 -6.189 3.865 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -9.809 -7.621 4.485 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -12.745 -7.762 3.804 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -11.570 -7.792 2.505 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -11.172 -9.970 2.889 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.627 -9.597 4.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -12.358 -11.002 4.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -13.181 -9.518 4.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -13.278 -10.484 3.604 1.00 0.00 H new ATOM 771 N GLU A 51 -8.731 -8.705 6.359 1.00 0.00 N ATOM 772 CA GLU A 51 -8.165 -10.051 6.441 1.00 0.00 C ATOM 773 C GLU A 51 -6.982 -10.079 7.419 1.00 0.00 C ATOM 774 O GLU A 51 -6.840 -9.180 8.250 1.00 0.00 O ATOM 775 CB GLU A 51 -7.731 -10.522 5.045 1.00 0.00 C ATOM 776 CG GLU A 51 -8.107 -11.965 4.739 1.00 0.00 C ATOM 777 CD GLU A 51 -9.600 -12.143 4.515 1.00 0.00 C ATOM 778 OE1 GLU A 51 -10.360 -12.126 5.507 1.00 0.00 O ATOM 779 OE2 GLU A 51 -10.011 -12.292 3.345 1.00 0.00 O ATOM 0 H GLU A 51 -8.239 -8.081 5.720 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.928 -10.733 6.817 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.183 -9.872 4.296 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.651 -10.411 4.954 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -7.568 -12.297 3.852 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.788 -12.603 5.563 1.00 0.00 H new ATOM 786 N ARG A 52 -6.140 -11.113 7.322 1.00 0.00 N ATOM 787 CA ARG A 52 -4.982 -11.240 8.207 1.00 0.00 C ATOM 788 C ARG A 52 -3.962 -10.129 7.947 1.00 0.00 C ATOM 789 O ARG A 52 -3.509 -9.947 6.819 1.00 0.00 O ATOM 790 CB ARG A 52 -4.306 -12.607 8.030 1.00 0.00 C ATOM 791 CG ARG A 52 -5.018 -13.747 8.740 1.00 0.00 C ATOM 792 CD ARG A 52 -4.581 -13.869 10.195 1.00 0.00 C ATOM 793 NE ARG A 52 -5.704 -14.179 11.079 1.00 0.00 N ATOM 794 CZ ARG A 52 -5.576 -14.685 12.310 1.00 0.00 C ATOM 795 NH1 ARG A 52 -4.372 -14.938 12.818 1.00 0.00 N ATOM 796 NH2 ARG A 52 -6.660 -14.936 13.035 1.00 0.00 N ATOM 0 H ARG A 52 -6.239 -11.868 6.644 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.345 -11.151 9.231 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.247 -12.836 6.966 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.283 -12.545 8.400 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.095 -13.586 8.696 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -4.814 -14.683 8.220 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.825 -14.649 10.282 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.115 -12.936 10.513 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.647 -13.997 10.734 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.535 -14.746 12.267 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.286 -15.324 13.758 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -7.586 -14.743 12.652 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.567 -15.322 13.975 1.00 0.00 H new ATOM 810 N PRO A 53 -3.584 -9.372 8.996 1.00 0.00 N ATOM 811 CA PRO A 53 -2.607 -8.283 8.871 1.00 0.00 C ATOM 812 C PRO A 53 -1.182 -8.796 8.647 1.00 0.00 C ATOM 813 O PRO A 53 -0.361 -8.112 8.033 1.00 0.00 O ATOM 814 CB PRO A 53 -2.704 -7.560 10.213 1.00 0.00 C ATOM 815 CG PRO A 53 -3.183 -8.596 11.171 1.00 0.00 C ATOM 816 CD PRO A 53 -4.070 -9.522 10.381 1.00 0.00 C ATOM 0 HA PRO A 53 -2.819 -7.648 8.011 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.737 -7.158 10.516 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -3.396 -6.720 10.160 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -2.345 -9.139 11.608 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.732 -8.140 11.995 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.983 -10.552 10.727 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -5.120 -9.244 10.470 1.00 0.00 H new ATOM 824 N ASP A 54 -0.894 -9.999 9.150 1.00 0.00 N ATOM 825 CA ASP A 54 0.432 -10.593 9.006 1.00 0.00 C ATOM 826 C ASP A 54 0.529 -11.520 7.786 1.00 0.00 C ATOM 827 O ASP A 54 1.536 -12.206 7.612 1.00 0.00 O ATOM 828 CB ASP A 54 0.809 -11.365 10.273 1.00 0.00 C ATOM 829 CG ASP A 54 2.224 -11.070 10.724 1.00 0.00 C ATOM 830 OD1 ASP A 54 2.499 -9.910 11.100 1.00 0.00 O ATOM 831 OD2 ASP A 54 3.061 -11.997 10.697 1.00 0.00 O ATOM 0 H ASP A 54 -1.562 -10.578 9.659 1.00 0.00 H new ATOM 0 HA ASP A 54 1.133 -9.772 8.852 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.114 -11.109 11.073 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.704 -12.434 10.090 1.00 0.00 H new ATOM 836 N LEU A 55 -0.507 -11.542 6.943 1.00 0.00 N ATOM 837 CA LEU A 55 -0.499 -12.392 5.752 1.00 0.00 C ATOM 838 C LEU A 55 0.259 -11.738 4.590 1.00 0.00 C ATOM 839 O LEU A 55 0.571 -12.401 3.598 1.00 0.00 O ATOM 840 CB LEU A 55 -1.935 -12.751 5.336 1.00 0.00 C ATOM 841 CG LEU A 55 -2.710 -11.671 4.572 1.00 0.00 C ATOM 842 CD1 LEU A 55 -2.293 -11.630 3.109 1.00 0.00 C ATOM 843 CD2 LEU A 55 -4.206 -11.925 4.686 1.00 0.00 C ATOM 0 H LEU A 55 -1.354 -10.986 7.062 1.00 0.00 H new ATOM 0 HA LEU A 55 0.030 -13.311 6.006 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.898 -13.648 4.718 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.498 -13.006 6.234 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.477 -10.704 5.017 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.858 -10.855 2.591 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.228 -11.409 3.040 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.494 -12.596 2.646 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.749 -11.153 4.140 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.442 -12.902 4.264 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.500 -11.902 5.735 1.00 0.00 H new ATOM 855 N LEU A 56 0.558 -10.439 4.713 1.00 0.00 N ATOM 856 CA LEU A 56 1.282 -9.721 3.664 1.00 0.00 C ATOM 857 C LEU A 56 2.728 -9.455 4.061 1.00 0.00 C ATOM 858 O LEU A 56 3.636 -9.647 3.257 1.00 0.00 O ATOM 859 CB LEU A 56 0.600 -8.392 3.311 1.00 0.00 C ATOM 860 CG LEU A 56 -0.046 -7.627 4.471 1.00 0.00 C ATOM 861 CD1 LEU A 56 -0.242 -6.166 4.091 1.00 0.00 C ATOM 862 CD2 LEU A 56 -1.379 -8.256 4.861 1.00 0.00 C ATOM 0 H LEU A 56 0.311 -9.870 5.523 1.00 0.00 H new ATOM 0 HA LEU A 56 1.270 -10.367 2.786 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.340 -7.742 2.844 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.168 -8.590 2.563 1.00 0.00 H new ATOM 0 HG LEU A 56 0.621 -7.682 5.332 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.702 -5.632 4.923 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.724 -5.717 3.861 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.889 -6.101 3.216 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -1.818 -7.696 5.686 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -2.056 -8.234 4.007 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.218 -9.289 5.169 1.00 0.00 H new ATOM 874 N VAL A 57 2.938 -8.998 5.293 1.00 0.00 N ATOM 875 CA VAL A 57 4.289 -8.702 5.770 1.00 0.00 C ATOM 876 C VAL A 57 5.182 -9.935 5.718 1.00 0.00 C ATOM 877 O VAL A 57 4.716 -11.066 5.862 1.00 0.00 O ATOM 878 CB VAL A 57 4.308 -8.140 7.208 1.00 0.00 C ATOM 879 CG1 VAL A 57 4.024 -6.647 7.195 1.00 0.00 C ATOM 880 CG2 VAL A 57 3.322 -8.882 8.102 1.00 0.00 C ATOM 0 H VAL A 57 2.199 -8.825 5.974 1.00 0.00 H new ATOM 0 HA VAL A 57 4.673 -7.937 5.095 1.00 0.00 H new ATOM 0 HB VAL A 57 5.304 -8.295 7.624 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.041 -6.265 8.216 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.785 -6.137 6.604 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.043 -6.467 6.756 1.00 0.00 H new ATOM 0 HG21 VAL A 57 3.358 -8.464 9.108 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.315 -8.775 7.700 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.588 -9.939 8.138 1.00 0.00 H new ATOM 890 N ASP A 58 6.472 -9.696 5.508 1.00 0.00 N ATOM 891 CA ASP A 58 7.454 -10.774 5.433 1.00 0.00 C ATOM 892 C ASP A 58 7.605 -11.464 6.787 1.00 0.00 C ATOM 893 O ASP A 58 7.383 -12.670 6.905 1.00 0.00 O ATOM 894 CB ASP A 58 8.803 -10.229 4.959 1.00 0.00 C ATOM 895 CG ASP A 58 9.841 -11.321 4.785 1.00 0.00 C ATOM 896 OD1 ASP A 58 9.552 -12.308 4.075 1.00 0.00 O ATOM 897 OD2 ASP A 58 10.940 -11.189 5.360 1.00 0.00 O ATOM 0 H ASP A 58 6.864 -8.762 5.386 1.00 0.00 H new ATOM 0 HA ASP A 58 7.101 -11.511 4.712 1.00 0.00 H new ATOM 0 HB2 ASP A 58 8.668 -9.706 4.012 1.00 0.00 H new ATOM 0 HB3 ASP A 58 9.168 -9.496 5.678 1.00 0.00 H new ATOM 902 N GLN A 59 7.966 -10.688 7.809 1.00 0.00 N ATOM 903 CA GLN A 59 8.128 -11.220 9.162 1.00 0.00 C ATOM 904 C GLN A 59 8.362 -10.101 10.174 1.00 0.00 C ATOM 905 O GLN A 59 7.758 -10.094 11.248 1.00 0.00 O ATOM 906 CB GLN A 59 9.279 -12.234 9.222 1.00 0.00 C ATOM 907 CG GLN A 59 8.955 -13.470 10.052 1.00 0.00 C ATOM 908 CD GLN A 59 9.362 -14.760 9.366 1.00 0.00 C ATOM 909 OE1 GLN A 59 8.681 -15.234 8.457 1.00 0.00 O ATOM 910 NE2 GLN A 59 10.475 -15.341 9.802 1.00 0.00 N ATOM 0 H GLN A 59 8.152 -9.689 7.726 1.00 0.00 H new ATOM 0 HA GLN A 59 7.201 -11.730 9.423 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.534 -12.543 8.208 1.00 0.00 H new ATOM 0 HB3 GLN A 59 10.161 -11.747 9.638 1.00 0.00 H new ATOM 0 HG2 GLN A 59 9.462 -13.399 11.014 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.885 -13.494 10.257 1.00 0.00 H new ATOM 0 HE21 GLN A 59 11.010 -14.915 10.558 1.00 0.00 H new ATOM 0 HE22 GLN A 59 10.794 -16.213 9.380 1.00 0.00 H new ATOM 919 N THR A 60 9.232 -9.156 9.825 1.00 0.00 N ATOM 920 CA THR A 60 9.535 -8.030 10.703 1.00 0.00 C ATOM 921 C THR A 60 8.447 -6.950 10.634 1.00 0.00 C ATOM 922 O THR A 60 8.578 -5.893 11.253 1.00 0.00 O ATOM 923 CB THR A 60 10.896 -7.425 10.341 1.00 0.00 C ATOM 924 OG1 THR A 60 11.064 -7.369 8.934 1.00 0.00 O ATOM 925 CG2 THR A 60 12.066 -8.200 10.911 1.00 0.00 C ATOM 0 H THR A 60 9.739 -9.148 8.940 1.00 0.00 H new ATOM 0 HA THR A 60 9.568 -8.409 11.725 1.00 0.00 H new ATOM 0 HB THR A 60 10.893 -6.427 10.778 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.938 -6.978 8.724 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.999 -7.719 10.617 1.00 0.00 H new ATOM 0 HG22 THR A 60 11.994 -8.220 11.998 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.048 -9.220 10.528 1.00 0.00 H new ATOM 933 N GLY A 61 7.374 -7.216 9.879 1.00 0.00 N ATOM 934 CA GLY A 61 6.296 -6.253 9.753 1.00 0.00 C ATOM 935 C GLY A 61 6.759 -4.934 9.160 1.00 0.00 C ATOM 936 O GLY A 61 6.179 -3.882 9.435 1.00 0.00 O ATOM 0 H GLY A 61 7.238 -8.081 9.356 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.510 -6.673 9.126 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.858 -6.072 10.735 1.00 0.00 H new ATOM 940 N GLN A 62 7.809 -4.995 8.339 1.00 0.00 N ATOM 941 CA GLN A 62 8.360 -3.802 7.697 1.00 0.00 C ATOM 942 C GLN A 62 8.325 -3.945 6.177 1.00 0.00 C ATOM 943 O GLN A 62 7.905 -3.031 5.467 1.00 0.00 O ATOM 944 CB GLN A 62 9.795 -3.549 8.176 1.00 0.00 C ATOM 945 CG GLN A 62 10.280 -2.123 7.948 1.00 0.00 C ATOM 946 CD GLN A 62 9.484 -1.100 8.736 1.00 0.00 C ATOM 947 OE1 GLN A 62 8.366 -0.654 8.173 1.00 0.00 O flip ATOM 948 NE2 GLN A 62 9.870 -0.714 9.839 1.00 0.00 N flip ATOM 0 H GLN A 62 8.295 -5.860 8.103 1.00 0.00 H new ATOM 0 HA GLN A 62 7.745 -2.947 7.977 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.858 -3.778 9.240 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.466 -4.237 7.662 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.331 -2.052 8.227 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.216 -1.887 6.886 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.735 -1.083 10.234 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.325 -0.025 10.358 1.00 0.00 H new ATOM 957 N THR A 63 8.756 -5.106 5.689 1.00 0.00 N ATOM 958 CA THR A 63 8.766 -5.389 4.258 1.00 0.00 C ATOM 959 C THR A 63 7.783 -6.518 3.951 1.00 0.00 C ATOM 960 O THR A 63 7.668 -7.471 4.723 1.00 0.00 O ATOM 961 CB THR A 63 10.183 -5.759 3.796 1.00 0.00 C ATOM 962 OG1 THR A 63 10.187 -6.141 2.431 1.00 0.00 O ATOM 963 CG2 THR A 63 10.807 -6.888 4.595 1.00 0.00 C ATOM 0 H THR A 63 9.105 -5.869 6.269 1.00 0.00 H new ATOM 0 HA THR A 63 8.456 -4.497 3.714 1.00 0.00 H new ATOM 0 HB THR A 63 10.776 -4.858 3.954 1.00 0.00 H new ATOM 0 HG1 THR A 63 11.100 -6.371 2.158 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.807 -7.095 4.213 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.872 -6.599 5.644 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.191 -7.783 4.503 1.00 0.00 H new ATOM 971 N LEU A 64 7.064 -6.401 2.833 1.00 0.00 N ATOM 972 CA LEU A 64 6.081 -7.415 2.447 1.00 0.00 C ATOM 973 C LEU A 64 6.759 -8.731 2.072 1.00 0.00 C ATOM 974 O LEU A 64 7.922 -8.750 1.664 1.00 0.00 O ATOM 975 CB LEU A 64 5.222 -6.921 1.276 1.00 0.00 C ATOM 976 CG LEU A 64 4.105 -5.932 1.639 1.00 0.00 C ATOM 977 CD1 LEU A 64 3.066 -5.891 0.533 1.00 0.00 C ATOM 978 CD2 LEU A 64 3.451 -6.300 2.968 1.00 0.00 C ATOM 0 H LEU A 64 7.143 -5.619 2.183 1.00 0.00 H new ATOM 0 HA LEU A 64 5.438 -7.592 3.309 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.876 -6.448 0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 64 4.772 -7.786 0.790 1.00 0.00 H new ATOM 0 HG LEU A 64 4.549 -4.943 1.748 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.278 -5.187 0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.537 -5.573 -0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.636 -6.884 0.401 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.664 -5.581 3.198 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.021 -7.299 2.897 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.200 -6.283 3.759 1.00 0.00 H new ATOM 990 N ARG A 65 6.020 -9.831 2.215 1.00 0.00 N ATOM 991 CA ARG A 65 6.542 -11.158 1.894 1.00 0.00 C ATOM 992 C ARG A 65 6.666 -11.354 0.381 1.00 0.00 C ATOM 993 O ARG A 65 6.004 -10.668 -0.398 1.00 0.00 O ATOM 994 CB ARG A 65 5.634 -12.242 2.484 1.00 0.00 C ATOM 995 CG ARG A 65 4.201 -12.179 1.978 1.00 0.00 C ATOM 996 CD ARG A 65 3.924 -13.246 0.929 1.00 0.00 C ATOM 997 NE ARG A 65 2.959 -12.788 -0.074 1.00 0.00 N ATOM 998 CZ ARG A 65 2.278 -13.601 -0.885 1.00 0.00 C ATOM 999 NH1 ARG A 65 2.467 -14.918 -0.839 1.00 0.00 N ATOM 1000 NH2 ARG A 65 1.409 -13.093 -1.754 1.00 0.00 N ATOM 0 H ARG A 65 5.057 -9.829 2.551 1.00 0.00 H new ATOM 0 HA ARG A 65 7.536 -11.241 2.333 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.051 -13.221 2.248 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.631 -12.150 3.570 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.514 -12.305 2.815 1.00 0.00 H new ATOM 0 HG3 ARG A 65 4.008 -11.194 1.554 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.856 -13.522 0.436 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.543 -14.144 1.416 1.00 0.00 H new ATOM 0 HE ARG A 65 2.797 -11.784 -0.158 1.00 0.00 H new ATOM 0 HH11 ARG A 65 3.137 -15.314 -0.180 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.942 -15.531 -1.463 1.00 0.00 H new ATOM 0 HH21 ARG A 65 1.264 -12.084 -1.800 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.887 -13.712 -2.375 1.00 0.00 H new ATOM 1014 N PRO A 66 7.519 -12.307 -0.052 1.00 0.00 N ATOM 1015 CA PRO A 66 7.731 -12.604 -1.477 1.00 0.00 C ATOM 1016 C PRO A 66 6.440 -13.013 -2.180 1.00 0.00 C ATOM 1017 O PRO A 66 5.693 -13.859 -1.684 1.00 0.00 O ATOM 1018 CB PRO A 66 8.720 -13.775 -1.463 1.00 0.00 C ATOM 1019 CG PRO A 66 9.377 -13.712 -0.129 1.00 0.00 C ATOM 1020 CD PRO A 66 8.343 -13.169 0.814 1.00 0.00 C ATOM 0 HA PRO A 66 8.094 -11.732 -2.021 1.00 0.00 H new ATOM 0 HB2 PRO A 66 8.207 -14.726 -1.605 1.00 0.00 H new ATOM 0 HB3 PRO A 66 9.450 -13.684 -2.267 1.00 0.00 H new ATOM 0 HG2 PRO A 66 9.714 -14.699 0.187 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.256 -13.069 -0.157 1.00 0.00 H new ATOM 0 HD2 PRO A 66 7.753 -13.966 1.268 1.00 0.00 H new ATOM 0 HD3 PRO A 66 8.797 -12.605 1.629 1.00 0.00 H new ATOM 1028 N GLY A 67 6.186 -12.405 -3.336 1.00 0.00 N ATOM 1029 CA GLY A 67 4.985 -12.712 -4.090 1.00 0.00 C ATOM 1030 C GLY A 67 4.332 -11.470 -4.663 1.00 0.00 C ATOM 1031 O GLY A 67 3.997 -11.429 -5.847 1.00 0.00 O ATOM 0 H GLY A 67 6.792 -11.705 -3.763 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.233 -13.396 -4.901 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.275 -13.228 -3.444 1.00 0.00 H new ATOM 1035 N ILE A 68 4.157 -10.453 -3.820 1.00 0.00 N ATOM 1036 CA ILE A 68 3.544 -9.198 -4.247 1.00 0.00 C ATOM 1037 C ILE A 68 4.592 -8.231 -4.795 1.00 0.00 C ATOM 1038 O ILE A 68 5.722 -8.181 -4.305 1.00 0.00 O ATOM 1039 CB ILE A 68 2.793 -8.503 -3.088 1.00 0.00 C ATOM 1040 CG1 ILE A 68 1.868 -9.490 -2.373 1.00 0.00 C ATOM 1041 CG2 ILE A 68 2.003 -7.308 -3.604 1.00 0.00 C ATOM 1042 CD1 ILE A 68 1.795 -9.262 -0.882 1.00 0.00 C ATOM 0 H ILE A 68 4.431 -10.475 -2.838 1.00 0.00 H new ATOM 0 HA ILE A 68 2.832 -9.454 -5.032 1.00 0.00 H new ATOM 0 HB ILE A 68 3.530 -8.145 -2.370 1.00 0.00 H new ATOM 0 HG12 ILE A 68 0.866 -9.411 -2.796 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.215 -10.506 -2.562 1.00 0.00 H new ATOM 0 HG21 ILE A 68 1.481 -6.831 -2.774 1.00 0.00 H new ATOM 0 HG22 ILE A 68 2.685 -6.592 -4.063 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.277 -7.644 -4.344 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.123 -9.994 -0.434 1.00 0.00 H new ATOM 0 HD12 ILE A 68 2.789 -9.369 -0.448 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.420 -8.258 -0.685 1.00 0.00 H new ATOM 1054 N LEU A 69 4.205 -7.464 -5.810 1.00 0.00 N ATOM 1055 CA LEU A 69 5.099 -6.492 -6.426 1.00 0.00 C ATOM 1056 C LEU A 69 4.608 -5.069 -6.174 1.00 0.00 C ATOM 1057 O LEU A 69 3.711 -4.581 -6.867 1.00 0.00 O ATOM 1058 CB LEU A 69 5.213 -6.751 -7.932 1.00 0.00 C ATOM 1059 CG LEU A 69 6.143 -7.899 -8.330 1.00 0.00 C ATOM 1060 CD1 LEU A 69 5.981 -8.226 -9.807 1.00 0.00 C ATOM 1061 CD2 LEU A 69 7.593 -7.549 -8.014 1.00 0.00 C ATOM 0 H LEU A 69 3.273 -7.498 -6.224 1.00 0.00 H new ATOM 0 HA LEU A 69 6.085 -6.602 -5.974 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.218 -6.959 -8.324 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.562 -5.838 -8.415 1.00 0.00 H new ATOM 0 HG LEU A 69 5.870 -8.781 -7.750 1.00 0.00 H new ATOM 0 HD11 LEU A 69 6.649 -9.045 -10.074 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.950 -8.521 -10.004 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.227 -7.347 -10.403 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.239 -8.378 -8.304 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.880 -6.654 -8.567 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.698 -7.364 -6.945 1.00 0.00 H new ATOM 1073 N VAL A 70 5.201 -4.408 -5.179 1.00 0.00 N ATOM 1074 CA VAL A 70 4.825 -3.037 -4.838 1.00 0.00 C ATOM 1075 C VAL A 70 5.454 -2.042 -5.811 1.00 0.00 C ATOM 1076 O VAL A 70 6.652 -2.112 -6.098 1.00 0.00 O ATOM 1077 CB VAL A 70 5.233 -2.661 -3.394 1.00 0.00 C ATOM 1078 CG1 VAL A 70 4.362 -3.387 -2.378 1.00 0.00 C ATOM 1079 CG2 VAL A 70 6.706 -2.953 -3.146 1.00 0.00 C ATOM 0 H VAL A 70 5.942 -4.799 -4.597 1.00 0.00 H new ATOM 0 HA VAL A 70 3.739 -2.987 -4.911 1.00 0.00 H new ATOM 0 HB VAL A 70 5.078 -1.589 -3.273 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.668 -3.107 -1.370 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.318 -3.111 -2.530 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.475 -4.464 -2.505 1.00 0.00 H new ATOM 0 HG21 VAL A 70 6.964 -2.679 -2.123 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.897 -4.016 -3.296 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.314 -2.374 -3.841 1.00 0.00 H new ATOM 1089 N LEU A 71 4.637 -1.122 -6.324 1.00 0.00 N ATOM 1090 CA LEU A 71 5.112 -0.116 -7.272 1.00 0.00 C ATOM 1091 C LEU A 71 4.679 1.289 -6.851 1.00 0.00 C ATOM 1092 O LEU A 71 3.495 1.540 -6.619 1.00 0.00 O ATOM 1093 CB LEU A 71 4.595 -0.413 -8.687 1.00 0.00 C ATOM 1094 CG LEU A 71 4.408 -1.894 -9.031 1.00 0.00 C ATOM 1095 CD1 LEU A 71 3.664 -2.044 -10.350 1.00 0.00 C ATOM 1096 CD2 LEU A 71 5.755 -2.605 -9.090 1.00 0.00 C ATOM 0 H LEU A 71 3.645 -1.053 -6.099 1.00 0.00 H new ATOM 0 HA LEU A 71 6.201 -0.159 -7.275 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.639 0.095 -8.818 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.289 0.023 -9.406 1.00 0.00 H new ATOM 0 HG LEU A 71 3.812 -2.358 -8.245 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.540 -3.102 -10.579 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.685 -1.572 -10.271 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.234 -1.565 -11.146 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.601 -3.656 -9.336 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.378 -2.141 -9.855 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.250 -2.527 -8.122 1.00 0.00 H new ATOM 1108 N VAL A 72 5.649 2.199 -6.772 1.00 0.00 N ATOM 1109 CA VAL A 72 5.387 3.584 -6.394 1.00 0.00 C ATOM 1110 C VAL A 72 5.424 4.488 -7.627 1.00 0.00 C ATOM 1111 O VAL A 72 6.450 4.582 -8.303 1.00 0.00 O ATOM 1112 CB VAL A 72 6.415 4.096 -5.362 1.00 0.00 C ATOM 1113 CG1 VAL A 72 6.056 5.496 -4.881 1.00 0.00 C ATOM 1114 CG2 VAL A 72 6.522 3.136 -4.184 1.00 0.00 C ATOM 0 H VAL A 72 6.630 1.998 -6.967 1.00 0.00 H new ATOM 0 HA VAL A 72 4.396 3.614 -5.942 1.00 0.00 H new ATOM 0 HB VAL A 72 7.387 4.146 -5.854 1.00 0.00 H new ATOM 0 HG11 VAL A 72 6.796 5.832 -4.155 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.043 6.180 -5.730 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.071 5.479 -4.414 1.00 0.00 H new ATOM 0 HG21 VAL A 72 7.252 3.517 -3.470 1.00 0.00 H new ATOM 0 HG22 VAL A 72 5.551 3.047 -3.698 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.840 2.156 -4.541 1.00 0.00 H new ATOM 1124 N ASN A 73 4.297 5.146 -7.913 1.00 0.00 N ATOM 1125 CA ASN A 73 4.189 6.045 -9.065 1.00 0.00 C ATOM 1126 C ASN A 73 4.466 5.296 -10.373 1.00 0.00 C ATOM 1127 O ASN A 73 5.312 5.706 -11.171 1.00 0.00 O ATOM 1128 CB ASN A 73 5.150 7.231 -8.913 1.00 0.00 C ATOM 1129 CG ASN A 73 4.504 8.416 -8.218 1.00 0.00 C ATOM 1130 OD1 ASN A 73 4.416 9.507 -8.780 1.00 0.00 O ATOM 1131 ND2 ASN A 73 4.048 8.208 -6.987 1.00 0.00 N ATOM 0 H ASN A 73 3.443 5.072 -7.360 1.00 0.00 H new ATOM 0 HA ASN A 73 3.169 6.426 -9.102 1.00 0.00 H new ATOM 0 HB2 ASN A 73 6.026 6.915 -8.347 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.501 7.539 -9.898 1.00 0.00 H new ATOM 0 HD21 ASN A 73 3.605 8.969 -6.472 1.00 0.00 H new ATOM 0 HD22 ASN A 73 4.141 7.288 -6.557 1.00 0.00 H new ATOM 1138 N SER A 74 3.743 4.193 -10.581 1.00 0.00 N ATOM 1139 CA SER A 74 3.899 3.374 -11.785 1.00 0.00 C ATOM 1140 C SER A 74 5.361 2.966 -12.004 1.00 0.00 C ATOM 1141 O SER A 74 5.830 2.882 -13.142 1.00 0.00 O ATOM 1142 CB SER A 74 3.370 4.127 -13.009 1.00 0.00 C ATOM 1143 OG SER A 74 1.956 4.213 -12.983 1.00 0.00 O ATOM 0 H SER A 74 3.041 3.846 -9.928 1.00 0.00 H new ATOM 0 HA SER A 74 3.317 2.463 -11.646 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.798 5.129 -13.036 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.690 3.619 -13.919 1.00 0.00 H new ATOM 0 HG SER A 74 1.643 4.700 -13.774 1.00 0.00 H new ATOM 1149 N CYS A 75 6.075 2.708 -10.909 1.00 0.00 N ATOM 1150 CA CYS A 75 7.474 2.305 -10.974 1.00 0.00 C ATOM 1151 C CYS A 75 7.822 1.420 -9.780 1.00 0.00 C ATOM 1152 O CYS A 75 7.186 1.518 -8.733 1.00 0.00 O ATOM 1153 CB CYS A 75 8.384 3.537 -10.999 1.00 0.00 C ATOM 1154 SG CYS A 75 10.064 3.205 -11.580 1.00 0.00 S ATOM 0 H CYS A 75 5.702 2.772 -9.962 1.00 0.00 H new ATOM 0 HA CYS A 75 7.630 1.738 -11.892 1.00 0.00 H new ATOM 0 HB2 CYS A 75 7.933 4.295 -11.639 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.435 3.958 -9.995 1.00 0.00 H new ATOM 0 HG CYS A 75 10.753 4.307 -11.567 1.00 0.00 H new ATOM 1160 N ASP A 76 8.828 0.559 -9.939 1.00 0.00 N ATOM 1161 CA ASP A 76 9.246 -0.338 -8.860 1.00 0.00 C ATOM 1162 C ASP A 76 9.439 0.423 -7.548 1.00 0.00 C ATOM 1163 O ASP A 76 10.210 1.382 -7.485 1.00 0.00 O ATOM 1164 CB ASP A 76 10.546 -1.063 -9.229 1.00 0.00 C ATOM 1165 CG ASP A 76 10.302 -2.383 -9.933 1.00 0.00 C ATOM 1166 OD1 ASP A 76 9.436 -3.156 -9.468 1.00 0.00 O ATOM 1167 OD2 ASP A 76 10.979 -2.648 -10.949 1.00 0.00 O ATOM 0 H ASP A 76 9.366 0.464 -10.800 1.00 0.00 H new ATOM 0 HA ASP A 76 8.453 -1.073 -8.722 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.146 -0.419 -9.872 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.127 -1.241 -8.324 1.00 0.00 H new ATOM 1172 N ALA A 77 8.738 -0.016 -6.498 1.00 0.00 N ATOM 1173 CA ALA A 77 8.839 0.623 -5.186 1.00 0.00 C ATOM 1174 C ALA A 77 10.237 0.460 -4.587 1.00 0.00 C ATOM 1175 O ALA A 77 10.624 1.215 -3.695 1.00 0.00 O ATOM 1176 CB ALA A 77 7.800 0.059 -4.229 1.00 0.00 C ATOM 0 H ALA A 77 8.097 -0.809 -6.532 1.00 0.00 H new ATOM 0 HA ALA A 77 8.651 1.687 -5.330 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.894 0.549 -3.260 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.802 0.236 -4.630 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.958 -1.013 -4.110 1.00 0.00 H new ATOM 1182 N GLU A 78 10.991 -0.525 -5.080 1.00 0.00 N ATOM 1183 CA GLU A 78 12.339 -0.772 -4.588 1.00 0.00 C ATOM 1184 C GLU A 78 13.312 0.265 -5.139 1.00 0.00 C ATOM 1185 O GLU A 78 14.303 0.602 -4.490 1.00 0.00 O ATOM 1186 CB GLU A 78 12.799 -2.182 -4.965 1.00 0.00 C ATOM 1187 CG GLU A 78 11.823 -3.271 -4.545 1.00 0.00 C ATOM 1188 CD GLU A 78 12.335 -4.097 -3.381 1.00 0.00 C ATOM 1189 OE1 GLU A 78 12.422 -3.552 -2.260 1.00 0.00 O ATOM 1190 OE2 GLU A 78 12.645 -5.290 -3.589 1.00 0.00 O ATOM 0 H GLU A 78 10.688 -1.161 -5.818 1.00 0.00 H new ATOM 0 HA GLU A 78 12.324 -0.690 -3.501 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.944 -2.232 -6.044 1.00 0.00 H new ATOM 0 HB3 GLU A 78 13.767 -2.375 -4.504 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.872 -2.815 -4.271 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.629 -3.927 -5.394 1.00 0.00 H new ATOM 1197 N VAL A 79 13.021 0.774 -6.337 1.00 0.00 N ATOM 1198 CA VAL A 79 13.873 1.775 -6.962 1.00 0.00 C ATOM 1199 C VAL A 79 13.766 3.118 -6.237 1.00 0.00 C ATOM 1200 O VAL A 79 14.776 3.787 -6.009 1.00 0.00 O ATOM 1201 CB VAL A 79 13.534 1.973 -8.454 1.00 0.00 C ATOM 1202 CG1 VAL A 79 14.551 2.895 -9.111 1.00 0.00 C ATOM 1203 CG2 VAL A 79 13.475 0.633 -9.178 1.00 0.00 C ATOM 0 H VAL A 79 12.205 0.508 -6.888 1.00 0.00 H new ATOM 0 HA VAL A 79 14.895 1.403 -6.887 1.00 0.00 H new ATOM 0 HB VAL A 79 12.551 2.438 -8.524 1.00 0.00 H new ATOM 0 HG11 VAL A 79 14.298 3.025 -10.163 1.00 0.00 H new ATOM 0 HG12 VAL A 79 14.539 3.864 -8.613 1.00 0.00 H new ATOM 0 HG13 VAL A 79 15.546 2.457 -9.028 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.234 0.797 -10.228 1.00 0.00 H new ATOM 0 HG22 VAL A 79 14.441 0.135 -9.101 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.707 0.007 -8.723 1.00 0.00 H new ATOM 1213 N VAL A 80 12.543 3.512 -5.873 1.00 0.00 N ATOM 1214 CA VAL A 80 12.327 4.780 -5.171 1.00 0.00 C ATOM 1215 C VAL A 80 12.909 4.749 -3.755 1.00 0.00 C ATOM 1216 O VAL A 80 13.308 5.785 -3.223 1.00 0.00 O ATOM 1217 CB VAL A 80 10.829 5.157 -5.092 1.00 0.00 C ATOM 1218 CG1 VAL A 80 10.288 5.501 -6.472 1.00 0.00 C ATOM 1219 CG2 VAL A 80 10.013 4.044 -4.448 1.00 0.00 C ATOM 0 H VAL A 80 11.693 2.976 -6.051 1.00 0.00 H new ATOM 0 HA VAL A 80 12.847 5.537 -5.757 1.00 0.00 H new ATOM 0 HB VAL A 80 10.738 6.041 -4.460 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.233 5.763 -6.394 1.00 0.00 H new ATOM 0 HG12 VAL A 80 10.843 6.346 -6.880 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.400 4.641 -7.132 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.964 4.339 -4.407 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.111 3.133 -5.038 1.00 0.00 H new ATOM 0 HG23 VAL A 80 10.379 3.863 -3.437 1.00 0.00 H new ATOM 1229 N GLY A 81 12.960 3.556 -3.153 1.00 0.00 N ATOM 1230 CA GLY A 81 13.503 3.425 -1.809 1.00 0.00 C ATOM 1231 C GLY A 81 12.817 2.352 -0.972 1.00 0.00 C ATOM 1232 O GLY A 81 12.641 2.529 0.234 1.00 0.00 O ATOM 0 H GLY A 81 12.636 2.684 -3.572 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.566 3.195 -1.877 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.416 4.383 -1.297 1.00 0.00 H new ATOM 1236 N GLY A 82 12.430 1.239 -1.603 1.00 0.00 N ATOM 1237 CA GLY A 82 11.769 0.155 -0.884 1.00 0.00 C ATOM 1238 C GLY A 82 10.553 0.619 -0.103 1.00 0.00 C ATOM 1239 O GLY A 82 9.474 0.797 -0.672 1.00 0.00 O ATOM 0 H GLY A 82 12.563 1.069 -2.600 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.466 -0.614 -1.595 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.480 -0.306 -0.199 1.00 0.00 H new ATOM 1243 N MET A 83 10.732 0.825 1.202 1.00 0.00 N ATOM 1244 CA MET A 83 9.647 1.284 2.068 1.00 0.00 C ATOM 1245 C MET A 83 10.029 2.587 2.780 1.00 0.00 C ATOM 1246 O MET A 83 9.564 2.860 3.889 1.00 0.00 O ATOM 1247 CB MET A 83 9.288 0.198 3.094 1.00 0.00 C ATOM 1248 CG MET A 83 10.490 -0.394 3.818 1.00 0.00 C ATOM 1249 SD MET A 83 11.198 -1.810 2.953 1.00 0.00 S ATOM 1250 CE MET A 83 12.892 -1.751 3.532 1.00 0.00 C ATOM 0 H MET A 83 11.620 0.681 1.683 1.00 0.00 H new ATOM 0 HA MET A 83 8.774 1.481 1.446 1.00 0.00 H new ATOM 0 HB2 MET A 83 8.605 0.621 3.831 1.00 0.00 H new ATOM 0 HB3 MET A 83 8.752 -0.604 2.586 1.00 0.00 H new ATOM 0 HG2 MET A 83 11.254 0.375 3.933 1.00 0.00 H new ATOM 0 HG3 MET A 83 10.191 -0.699 4.821 1.00 0.00 H new ATOM 0 HE1 MET A 83 13.458 -2.567 3.083 1.00 0.00 H new ATOM 0 HE2 MET A 83 13.341 -0.799 3.248 1.00 0.00 H new ATOM 0 HE3 MET A 83 12.909 -1.851 4.617 1.00 0.00 H new ATOM 1260 N ASP A 84 10.884 3.386 2.134 1.00 0.00 N ATOM 1261 CA ASP A 84 11.341 4.654 2.701 1.00 0.00 C ATOM 1262 C ASP A 84 10.921 5.853 1.838 1.00 0.00 C ATOM 1263 O ASP A 84 11.504 6.935 1.949 1.00 0.00 O ATOM 1264 CB ASP A 84 12.868 4.629 2.852 1.00 0.00 C ATOM 1265 CG ASP A 84 13.351 5.364 4.092 1.00 0.00 C ATOM 1266 OD1 ASP A 84 12.777 5.142 5.180 1.00 0.00 O ATOM 1267 OD2 ASP A 84 14.305 6.161 3.972 1.00 0.00 O ATOM 0 H ASP A 84 11.273 3.174 1.215 1.00 0.00 H new ATOM 0 HA ASP A 84 10.872 4.772 3.678 1.00 0.00 H new ATOM 0 HB2 ASP A 84 13.207 3.594 2.894 1.00 0.00 H new ATOM 0 HB3 ASP A 84 13.323 5.078 1.969 1.00 0.00 H new ATOM 1272 N TYR A 85 9.910 5.663 0.986 1.00 0.00 N ATOM 1273 CA TYR A 85 9.433 6.738 0.116 1.00 0.00 C ATOM 1274 C TYR A 85 8.490 7.682 0.863 1.00 0.00 C ATOM 1275 O TYR A 85 7.450 7.261 1.371 1.00 0.00 O ATOM 1276 CB TYR A 85 8.730 6.155 -1.112 1.00 0.00 C ATOM 1277 CG TYR A 85 8.622 7.122 -2.270 1.00 0.00 C ATOM 1278 CD1 TYR A 85 9.759 7.605 -2.906 1.00 0.00 C ATOM 1279 CD2 TYR A 85 7.382 7.551 -2.727 1.00 0.00 C ATOM 1280 CE1 TYR A 85 9.664 8.488 -3.964 1.00 0.00 C ATOM 1281 CE2 TYR A 85 7.280 8.433 -3.786 1.00 0.00 C ATOM 1282 CZ TYR A 85 8.422 8.899 -4.401 1.00 0.00 C ATOM 1283 OH TYR A 85 8.320 9.776 -5.456 1.00 0.00 O ATOM 0 H TYR A 85 9.410 4.780 0.881 1.00 0.00 H new ATOM 0 HA TYR A 85 10.300 7.314 -0.208 1.00 0.00 H new ATOM 0 HB2 TYR A 85 9.270 5.267 -1.441 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.729 5.831 -0.827 1.00 0.00 H new ATOM 0 HD1 TYR A 85 10.733 7.285 -2.568 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.484 7.190 -2.247 1.00 0.00 H new ATOM 0 HE1 TYR A 85 10.558 8.855 -4.447 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.309 8.756 -4.131 1.00 0.00 H new ATOM 0 HH TYR A 85 7.375 9.962 -5.637 1.00 0.00 H new ATOM 1293 N VAL A 86 8.865 8.963 0.922 1.00 0.00 N ATOM 1294 CA VAL A 86 8.058 9.975 1.606 1.00 0.00 C ATOM 1295 C VAL A 86 6.833 10.367 0.779 1.00 0.00 C ATOM 1296 O VAL A 86 6.806 10.178 -0.438 1.00 0.00 O ATOM 1297 CB VAL A 86 8.880 11.248 1.923 1.00 0.00 C ATOM 1298 CG1 VAL A 86 10.021 10.931 2.878 1.00 0.00 C ATOM 1299 CG2 VAL A 86 9.405 11.894 0.646 1.00 0.00 C ATOM 0 H VAL A 86 9.723 9.323 0.504 1.00 0.00 H new ATOM 0 HA VAL A 86 7.730 9.523 2.542 1.00 0.00 H new ATOM 0 HB VAL A 86 8.217 11.962 2.411 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.585 11.840 3.086 1.00 0.00 H new ATOM 0 HG12 VAL A 86 9.617 10.534 3.809 1.00 0.00 H new ATOM 0 HG13 VAL A 86 10.681 10.191 2.424 1.00 0.00 H new ATOM 0 HG21 VAL A 86 9.979 12.786 0.899 1.00 0.00 H new ATOM 0 HG22 VAL A 86 10.046 11.188 0.118 1.00 0.00 H new ATOM 0 HG23 VAL A 86 8.566 12.171 0.007 1.00 0.00 H new ATOM 1309 N LEU A 87 5.820 10.920 1.450 1.00 0.00 N ATOM 1310 CA LEU A 87 4.588 11.341 0.779 1.00 0.00 C ATOM 1311 C LEU A 87 4.673 12.803 0.340 1.00 0.00 C ATOM 1312 O LEU A 87 5.358 13.611 0.968 1.00 0.00 O ATOM 1313 CB LEU A 87 3.381 11.137 1.701 1.00 0.00 C ATOM 1314 CG LEU A 87 2.214 10.357 1.084 1.00 0.00 C ATOM 1315 CD1 LEU A 87 2.280 8.892 1.484 1.00 0.00 C ATOM 1316 CD2 LEU A 87 0.881 10.965 1.500 1.00 0.00 C ATOM 0 H LEU A 87 5.828 11.087 2.456 1.00 0.00 H new ATOM 0 HA LEU A 87 4.462 10.724 -0.111 1.00 0.00 H new ATOM 0 HB2 LEU A 87 3.713 10.614 2.598 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.017 12.114 2.018 1.00 0.00 H new ATOM 0 HG LEU A 87 2.296 10.422 -0.001 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.444 8.355 1.037 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.218 8.461 1.133 1.00 0.00 H new ATOM 0 HD13 LEU A 87 2.226 8.808 2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 87 0.066 10.397 1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.790 10.934 2.586 1.00 0.00 H new ATOM 0 HD23 LEU A 87 0.831 12.000 1.161 1.00 0.00 H new ATOM 1328 N ASN A 88 3.972 13.131 -0.746 1.00 0.00 N ATOM 1329 CA ASN A 88 3.963 14.494 -1.278 1.00 0.00 C ATOM 1330 C ASN A 88 2.617 14.831 -1.932 1.00 0.00 C ATOM 1331 O ASN A 88 2.561 15.627 -2.871 1.00 0.00 O ATOM 1332 CB ASN A 88 5.099 14.666 -2.292 1.00 0.00 C ATOM 1333 CG ASN A 88 5.710 16.054 -2.254 1.00 0.00 C ATOM 1334 OD1 ASN A 88 5.121 17.016 -2.744 1.00 0.00 O ATOM 1335 ND2 ASN A 88 6.900 16.164 -1.674 1.00 0.00 N ATOM 0 H ASN A 88 3.402 12.470 -1.275 1.00 0.00 H new ATOM 0 HA ASN A 88 4.112 15.182 -0.446 1.00 0.00 H new ATOM 0 HB2 ASN A 88 5.874 13.926 -2.092 1.00 0.00 H new ATOM 0 HB3 ASN A 88 4.719 14.467 -3.294 1.00 0.00 H new ATOM 0 HD21 ASN A 88 7.360 17.073 -1.623 1.00 0.00 H new ATOM 0 HD22 ASN A 88 7.353 15.340 -1.280 1.00 0.00 H new ATOM 1342 N ASP A 89 1.535 14.226 -1.424 1.00 0.00 N ATOM 1343 CA ASP A 89 0.184 14.459 -1.946 1.00 0.00 C ATOM 1344 C ASP A 89 0.078 14.084 -3.425 1.00 0.00 C ATOM 1345 O ASP A 89 0.413 14.878 -4.306 1.00 0.00 O ATOM 1346 CB ASP A 89 -0.224 15.921 -1.744 1.00 0.00 C ATOM 1347 CG ASP A 89 0.026 16.402 -0.328 1.00 0.00 C ATOM 1348 OD1 ASP A 89 -0.592 15.850 0.607 1.00 0.00 O ATOM 1349 OD2 ASP A 89 0.842 17.332 -0.155 1.00 0.00 O ATOM 0 H ASP A 89 1.571 13.567 -0.646 1.00 0.00 H new ATOM 0 HA ASP A 89 -0.498 13.817 -1.388 1.00 0.00 H new ATOM 0 HB2 ASP A 89 0.330 16.549 -2.441 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -1.281 16.036 -1.982 1.00 0.00 H new ATOM 1354 N GLY A 90 -0.391 12.866 -3.685 1.00 0.00 N ATOM 1355 CA GLY A 90 -0.537 12.393 -5.053 1.00 0.00 C ATOM 1356 C GLY A 90 0.312 11.166 -5.343 1.00 0.00 C ATOM 1357 O GLY A 90 0.729 10.952 -6.483 1.00 0.00 O ATOM 0 H GLY A 90 -0.674 12.195 -2.970 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.584 12.158 -5.242 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -0.260 13.192 -5.741 1.00 0.00 H new ATOM 1361 N ASP A 91 0.568 10.358 -4.312 1.00 0.00 N ATOM 1362 CA ASP A 91 1.369 9.147 -4.463 1.00 0.00 C ATOM 1363 C ASP A 91 0.545 8.024 -5.088 1.00 0.00 C ATOM 1364 O ASP A 91 -0.681 8.111 -5.167 1.00 0.00 O ATOM 1365 CB ASP A 91 1.920 8.708 -3.101 1.00 0.00 C ATOM 1366 CG ASP A 91 3.172 7.856 -3.216 1.00 0.00 C ATOM 1367 OD1 ASP A 91 4.061 8.208 -4.018 1.00 0.00 O ATOM 1368 OD2 ASP A 91 3.263 6.838 -2.501 1.00 0.00 O ATOM 0 H ASP A 91 0.231 10.523 -3.364 1.00 0.00 H new ATOM 0 HA ASP A 91 2.203 9.367 -5.129 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.142 9.592 -2.503 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.152 8.147 -2.568 1.00 0.00 H new ATOM 1373 N THR A 92 1.226 6.971 -5.539 1.00 0.00 N ATOM 1374 CA THR A 92 0.555 5.832 -6.160 1.00 0.00 C ATOM 1375 C THR A 92 1.210 4.517 -5.748 1.00 0.00 C ATOM 1376 O THR A 92 2.354 4.244 -6.110 1.00 0.00 O ATOM 1377 CB THR A 92 0.576 5.971 -7.689 1.00 0.00 C ATOM 1378 OG1 THR A 92 -0.118 7.138 -8.100 1.00 0.00 O ATOM 1379 CG2 THR A 92 -0.047 4.791 -8.409 1.00 0.00 C ATOM 0 H THR A 92 2.241 6.884 -5.486 1.00 0.00 H new ATOM 0 HA THR A 92 -0.479 5.822 -5.816 1.00 0.00 H new ATOM 0 HB THR A 92 1.631 6.024 -7.956 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.091 7.208 -9.077 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.001 4.955 -9.486 1.00 0.00 H new ATOM 0 HG22 THR A 92 0.498 3.881 -8.156 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.088 4.687 -8.104 1.00 0.00 H new ATOM 1387 N VAL A 93 0.474 3.703 -4.992 1.00 0.00 N ATOM 1388 CA VAL A 93 0.979 2.410 -4.536 1.00 0.00 C ATOM 1389 C VAL A 93 0.030 1.280 -4.943 1.00 0.00 C ATOM 1390 O VAL A 93 -1.192 1.409 -4.827 1.00 0.00 O ATOM 1391 CB VAL A 93 1.190 2.389 -3.005 1.00 0.00 C ATOM 1392 CG1 VAL A 93 -0.124 2.611 -2.273 1.00 0.00 C ATOM 1393 CG2 VAL A 93 1.844 1.083 -2.572 1.00 0.00 C ATOM 0 H VAL A 93 -0.474 3.917 -4.683 1.00 0.00 H new ATOM 0 HA VAL A 93 1.945 2.255 -5.017 1.00 0.00 H new ATOM 0 HB VAL A 93 1.860 3.207 -2.741 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.051 2.592 -1.197 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.539 3.578 -2.556 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.827 1.822 -2.540 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.984 1.087 -1.491 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.205 0.246 -2.852 1.00 0.00 H new ATOM 0 HG23 VAL A 93 2.812 0.980 -3.063 1.00 0.00 H new ATOM 1403 N GLU A 94 0.599 0.177 -5.432 1.00 0.00 N ATOM 1404 CA GLU A 94 -0.194 -0.970 -5.869 1.00 0.00 C ATOM 1405 C GLU A 94 0.396 -2.283 -5.358 1.00 0.00 C ATOM 1406 O GLU A 94 1.601 -2.384 -5.126 1.00 0.00 O ATOM 1407 CB GLU A 94 -0.275 -1.003 -7.397 1.00 0.00 C ATOM 1408 CG GLU A 94 -0.618 0.341 -8.026 1.00 0.00 C ATOM 1409 CD GLU A 94 -0.291 0.407 -9.507 1.00 0.00 C ATOM 1410 OE1 GLU A 94 -0.388 -0.635 -10.190 1.00 0.00 O ATOM 1411 OE2 GLU A 94 0.064 1.506 -9.985 1.00 0.00 O ATOM 0 H GLU A 94 1.606 0.055 -5.535 1.00 0.00 H new ATOM 0 HA GLU A 94 -1.195 -0.860 -5.452 1.00 0.00 H new ATOM 0 HB2 GLU A 94 0.680 -1.346 -7.794 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.025 -1.735 -7.696 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.680 0.540 -7.885 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -0.074 1.129 -7.505 1.00 0.00 H new ATOM 1418 N PHE A 95 -0.467 -3.289 -5.198 1.00 0.00 N ATOM 1419 CA PHE A 95 -0.041 -4.605 -4.727 1.00 0.00 C ATOM 1420 C PHE A 95 -0.487 -5.693 -5.706 1.00 0.00 C ATOM 1421 O PHE A 95 -1.667 -6.051 -5.757 1.00 0.00 O ATOM 1422 CB PHE A 95 -0.611 -4.881 -3.331 1.00 0.00 C ATOM 1423 CG PHE A 95 -0.190 -3.874 -2.295 1.00 0.00 C ATOM 1424 CD1 PHE A 95 1.000 -4.030 -1.604 1.00 0.00 C ATOM 1425 CD2 PHE A 95 -0.983 -2.771 -2.018 1.00 0.00 C ATOM 1426 CE1 PHE A 95 1.389 -3.107 -0.653 1.00 0.00 C ATOM 1427 CE2 PHE A 95 -0.598 -1.844 -1.068 1.00 0.00 C ATOM 1428 CZ PHE A 95 0.590 -2.012 -0.385 1.00 0.00 C ATOM 0 H PHE A 95 -1.466 -3.215 -5.389 1.00 0.00 H new ATOM 0 HA PHE A 95 1.047 -4.616 -4.668 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -1.699 -4.896 -3.389 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -0.296 -5.874 -3.009 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.630 -4.882 -1.811 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -1.912 -2.635 -2.551 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.318 -3.241 -0.119 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -1.225 -0.990 -0.860 1.00 0.00 H new ATOM 0 HZ PHE A 95 0.894 -1.289 0.357 1.00 0.00 H new ATOM 1438 N ILE A 96 0.467 -6.206 -6.487 1.00 0.00 N ATOM 1439 CA ILE A 96 0.188 -7.248 -7.478 1.00 0.00 C ATOM 1440 C ILE A 96 0.943 -8.538 -7.146 1.00 0.00 C ATOM 1441 O ILE A 96 2.173 -8.556 -7.137 1.00 0.00 O ATOM 1442 CB ILE A 96 0.591 -6.793 -8.902 1.00 0.00 C ATOM 1443 CG1 ILE A 96 0.038 -5.396 -9.202 1.00 0.00 C ATOM 1444 CG2 ILE A 96 0.109 -7.793 -9.947 1.00 0.00 C ATOM 1445 CD1 ILE A 96 0.713 -4.721 -10.377 1.00 0.00 C ATOM 0 H ILE A 96 1.444 -5.915 -6.452 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.886 -7.433 -7.448 1.00 0.00 H new ATOM 0 HB ILE A 96 1.679 -6.749 -8.947 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.031 -5.472 -9.401 1.00 0.00 H new ATOM 0 HG13 ILE A 96 0.154 -4.770 -8.317 1.00 0.00 H new ATOM 0 HG21 ILE A 96 0.404 -7.452 -10.940 1.00 0.00 H new ATOM 0 HG22 ILE A 96 0.555 -8.768 -9.751 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -0.977 -7.875 -9.899 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.273 -3.736 -10.533 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.778 -4.614 -10.172 1.00 0.00 H new ATOM 0 HD13 ILE A 96 0.575 -5.326 -11.273 1.00 0.00 H new ATOM 1457 N SER A 97 0.201 -9.614 -6.877 1.00 0.00 N ATOM 1458 CA SER A 97 0.818 -10.900 -6.551 1.00 0.00 C ATOM 1459 C SER A 97 1.120 -11.704 -7.815 1.00 0.00 C ATOM 1460 O SER A 97 0.233 -11.944 -8.636 1.00 0.00 O ATOM 1461 CB SER A 97 -0.087 -11.714 -5.621 1.00 0.00 C ATOM 1462 OG SER A 97 0.672 -12.372 -4.619 1.00 0.00 O ATOM 0 H SER A 97 -0.819 -9.621 -6.878 1.00 0.00 H new ATOM 0 HA SER A 97 1.758 -10.694 -6.040 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.820 -11.056 -5.154 1.00 0.00 H new ATOM 0 HB3 SER A 97 -0.644 -12.449 -6.202 1.00 0.00 H new ATOM 0 HG SER A 97 0.072 -12.883 -4.037 1.00 0.00 H new ATOM 1468 N THR A 98 2.379 -12.116 -7.960 1.00 0.00 N ATOM 1469 CA THR A 98 2.810 -12.893 -9.122 1.00 0.00 C ATOM 1470 C THR A 98 3.740 -14.038 -8.711 1.00 0.00 C ATOM 1471 O THR A 98 3.453 -15.206 -8.978 1.00 0.00 O ATOM 1472 CB THR A 98 3.514 -11.988 -10.139 1.00 0.00 C ATOM 1473 OG1 THR A 98 4.363 -11.058 -9.485 1.00 0.00 O ATOM 1474 CG2 THR A 98 2.552 -11.205 -11.007 1.00 0.00 C ATOM 0 H THR A 98 3.120 -11.924 -7.286 1.00 0.00 H new ATOM 0 HA THR A 98 1.921 -13.324 -9.582 1.00 0.00 H new ATOM 0 HB THR A 98 4.088 -12.661 -10.776 1.00 0.00 H new ATOM 0 HG1 THR A 98 5.120 -10.840 -10.068 1.00 0.00 H new ATOM 0 HG21 THR A 98 3.114 -10.584 -11.705 1.00 0.00 H new ATOM 0 HG22 THR A 98 1.920 -11.896 -11.564 1.00 0.00 H new ATOM 0 HG23 THR A 98 1.929 -10.570 -10.378 1.00 0.00 H new