USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 548 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 64 SER OG : rot -114:sc= 1.19 USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 49 GLN : amide:sc= 0.719 K(o=2.6,f=-2.2) USER MOD Set 2.2: A 57 ASN : amide:sc= 0.957 K(o=2.6,f=-2.2) USER MOD Set 2.3: A 61 HIS : no HE2:sc= 0.921 K(o=2.6,f=-2.5!) USER MOD Set 3.1: A 39 HIS : no HE2:sc= -1.22 K(o=-0.22,f=-4.6!) USER MOD Set 3.2: A 63 HIS : no HE2:sc= 1 K(o=-0.22,f=-4.4!) USER MOD Set 4.1: A 20 SER OG : rot -86:sc= 1.3 USER MOD Set 4.2: A 21 THR OG1 : rot -120:sc= 0.782 USER MOD Set 4.3: A 33 THR OG1 : rot -36:sc= 0.566 USER MOD Set 5.1: A 13 GLN : amide:sc= 0.546 K(o=3.8,f=-13!) USER MOD Set 5.2: A 14 LYS NZ :NH3+ 170:sc= 3.25 (180deg=1.96) USER MOD Single : A 6 TYR OH : rot -4:sc= 1.26 USER MOD Single : A 7 TYR OH : rot 128:sc= 1.24 USER MOD Single : A 8 THR OG1 : rot -94:sc= 0.142 USER MOD Single : A 15 HIS : no HE2:sc= -1.09 K(o=-1.1,f=-5.6!) USER MOD Single : A 16 ASN : amide:sc= -1.43! C(o=-1.4!,f=-5.7!) USER MOD Single : A 26 HIS : no HE2:sc= -0.506 K(o=-0.51,f=-1.1) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -159:sc= 1.15 (180deg=0.755) USER MOD Single : A 30 TYR OH : rot 29:sc= 1.12 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 77:sc= 2.11 USER MOD Single : A 71 SER OG : rot -56:sc= 1.28 USER MOD Single : A 72 LYS NZ :NH3+ -154:sc= 0.646 (180deg=-2.89!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.372 X(o=-0.37,f=0) USER MOD ----------------------------------------------------------------- ATOM 51 N TYR A 6 -8.084 13.380 -1.398 1.00 10.00 N ATOM 52 CA TYR A 6 -8.814 12.127 -1.304 1.00 10.00 C ATOM 53 C TYR A 6 -9.006 11.388 -2.612 1.00 10.00 C ATOM 54 O TYR A 6 -9.132 11.940 -3.709 1.00 10.00 O ATOM 55 CB TYR A 6 -10.134 12.189 -0.528 1.00 10.00 C ATOM 56 CG TYR A 6 -10.080 12.657 0.899 1.00 10.00 C ATOM 57 CD1 TYR A 6 -8.862 12.547 1.578 1.00 10.00 C ATOM 58 CD2 TYR A 6 -11.277 12.678 1.636 1.00 10.00 C ATOM 59 CE1 TYR A 6 -8.852 12.206 2.925 1.00 10.00 C ATOM 60 CE2 TYR A 6 -11.262 12.348 3.000 1.00 10.00 C ATOM 61 CZ TYR A 6 -10.052 12.034 3.634 1.00 10.00 C ATOM 62 OH TYR A 6 -10.067 11.565 4.913 1.00 10.00 O ATOM 0 HA TYR A 6 -8.122 11.536 -0.703 1.00 10.00 H new ATOM 0 HB2 TYR A 6 -10.813 12.846 -1.072 1.00 10.00 H new ATOM 0 HB3 TYR A 6 -10.577 11.193 -0.539 1.00 10.00 H new ATOM 0 HD1 TYR A 6 -7.933 12.726 1.057 1.00 10.00 H new ATOM 0 HD2 TYR A 6 -12.205 12.947 1.154 1.00 10.00 H new ATOM 0 HE1 TYR A 6 -7.909 12.071 3.434 1.00 10.00 H new ATOM 0 HE2 TYR A 6 -12.184 12.336 3.562 1.00 10.00 H new ATOM 0 HH TYR A 6 -9.155 11.331 5.186 1.00 10.00 H new ATOM 72 N TYR A 7 -8.946 10.080 -2.419 1.00 10.00 N ATOM 73 CA TYR A 7 -8.686 9.052 -3.366 1.00 10.00 C ATOM 74 C TYR A 7 -9.785 8.017 -3.167 1.00 10.00 C ATOM 75 O TYR A 7 -10.003 7.465 -2.092 1.00 10.00 O ATOM 76 CB TYR A 7 -7.292 8.561 -2.997 1.00 10.00 C ATOM 77 CG TYR A 7 -6.113 9.225 -3.698 1.00 10.00 C ATOM 78 CD1 TYR A 7 -6.252 10.447 -4.397 1.00 10.00 C ATOM 79 CD2 TYR A 7 -4.821 8.774 -3.384 1.00 10.00 C ATOM 80 CE1 TYR A 7 -5.142 11.281 -4.606 1.00 10.00 C ATOM 81 CE2 TYR A 7 -3.711 9.601 -3.614 1.00 10.00 C ATOM 82 CZ TYR A 7 -3.878 10.879 -4.162 1.00 10.00 C ATOM 83 OH TYR A 7 -2.864 11.786 -4.112 1.00 10.00 O ATOM 0 H TYR A 7 -9.097 9.690 -1.489 1.00 10.00 H new ATOM 0 HA TYR A 7 -8.697 9.335 -4.419 1.00 10.00 H new ATOM 0 HB2 TYR A 7 -7.162 8.689 -1.922 1.00 10.00 H new ATOM 0 HB3 TYR A 7 -7.246 7.491 -3.199 1.00 10.00 H new ATOM 0 HD1 TYR A 7 -7.221 10.741 -4.773 1.00 10.00 H new ATOM 0 HD2 TYR A 7 -4.681 7.789 -2.965 1.00 10.00 H new ATOM 0 HE1 TYR A 7 -5.264 12.230 -5.108 1.00 10.00 H new ATOM 0 HE2 TYR A 7 -2.720 9.249 -3.367 1.00 10.00 H new ATOM 0 HH TYR A 7 -2.455 11.771 -3.222 1.00 10.00 H new ATOM 93 N THR A 8 -10.542 7.851 -4.231 1.00 10.00 N ATOM 94 CA THR A 8 -11.764 7.084 -4.273 1.00 10.00 C ATOM 95 C THR A 8 -11.405 5.622 -4.496 1.00 10.00 C ATOM 96 O THR A 8 -10.426 5.346 -5.182 1.00 10.00 O ATOM 97 CB THR A 8 -12.598 7.653 -5.425 1.00 10.00 C ATOM 98 OG1 THR A 8 -11.749 7.979 -6.517 1.00 10.00 O ATOM 99 CG2 THR A 8 -13.242 8.966 -4.984 1.00 10.00 C ATOM 0 H THR A 8 -10.309 8.268 -5.132 1.00 10.00 H new ATOM 0 HA THR A 8 -12.337 7.146 -3.348 1.00 10.00 H new ATOM 0 HB THR A 8 -13.344 6.910 -5.707 1.00 10.00 H new ATOM 0 HG1 THR A 8 -11.496 8.924 -6.463 1.00 10.00 H new ATOM 0 HG21 THR A 8 -13.836 9.373 -5.802 1.00 10.00 H new ATOM 0 HG22 THR A 8 -13.886 8.784 -4.123 1.00 10.00 H new ATOM 0 HG23 THR A 8 -12.464 9.679 -4.711 1.00 10.00 H new ATOM 107 N LEU A 9 -12.194 4.683 -3.980 1.00 10.00 N ATOM 108 CA LEU A 9 -12.047 3.263 -4.283 1.00 10.00 C ATOM 109 C LEU A 9 -11.960 3.063 -5.794 1.00 10.00 C ATOM 110 O LEU A 9 -11.087 2.340 -6.268 1.00 10.00 O ATOM 111 CB LEU A 9 -13.166 2.479 -3.595 1.00 10.00 C ATOM 112 CG LEU A 9 -13.257 0.988 -3.965 1.00 10.00 C ATOM 113 CD1 LEU A 9 -13.826 0.208 -2.773 1.00 10.00 C ATOM 114 CD2 LEU A 9 -14.174 0.749 -5.173 1.00 10.00 C ATOM 0 H LEU A 9 -12.958 4.888 -3.336 1.00 10.00 H new ATOM 0 HA LEU A 9 -11.114 2.866 -3.883 1.00 10.00 H new ATOM 0 HB2 LEU A 9 -13.032 2.560 -2.516 1.00 10.00 H new ATOM 0 HB3 LEU A 9 -14.118 2.953 -3.834 1.00 10.00 H new ATOM 0 HG LEU A 9 -12.252 0.651 -4.220 1.00 10.00 H new ATOM 0 HD11 LEU A 9 -13.893 -0.849 -3.029 1.00 10.00 H new ATOM 0 HD12 LEU A 9 -13.171 0.332 -1.911 1.00 10.00 H new ATOM 0 HD13 LEU A 9 -14.819 0.586 -2.531 1.00 10.00 H new ATOM 0 HD21 LEU A 9 -14.208 -0.317 -5.398 1.00 10.00 H new ATOM 0 HD22 LEU A 9 -15.179 1.104 -4.943 1.00 10.00 H new ATOM 0 HD23 LEU A 9 -13.787 1.290 -6.036 1.00 10.00 H new ATOM 126 N GLU A 10 -12.797 3.793 -6.540 1.00 10.00 N ATOM 127 CA GLU A 10 -12.732 3.913 -7.991 1.00 10.00 C ATOM 128 C GLU A 10 -11.291 4.011 -8.492 1.00 10.00 C ATOM 129 O GLU A 10 -10.896 3.296 -9.405 1.00 10.00 O ATOM 130 CB GLU A 10 -13.509 5.164 -8.418 1.00 10.00 C ATOM 131 CG GLU A 10 -13.672 5.290 -9.941 1.00 10.00 C ATOM 132 CD GLU A 10 -14.448 4.131 -10.554 1.00 10.00 C ATOM 133 OE1 GLU A 10 -15.686 4.251 -10.633 1.00 10.00 O ATOM 134 OE2 GLU A 10 -13.780 3.140 -10.927 1.00 10.00 O ATOM 0 H GLU A 10 -13.561 4.332 -6.132 1.00 10.00 H new ATOM 0 HA GLU A 10 -13.172 3.017 -8.429 1.00 10.00 H new ATOM 0 HB2 GLU A 10 -14.495 5.146 -7.955 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -12.996 6.048 -8.040 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -14.184 6.225 -10.170 1.00 10.00 H new ATOM 0 HG3 GLU A 10 -12.686 5.345 -10.403 1.00 10.00 H new ATOM 141 N GLU A 11 -10.507 4.902 -7.889 1.00 10.00 N ATOM 142 CA GLU A 11 -9.084 5.022 -8.181 1.00 10.00 C ATOM 143 C GLU A 11 -8.317 3.857 -7.574 1.00 10.00 C ATOM 144 O GLU A 11 -7.532 3.205 -8.255 1.00 10.00 O ATOM 145 CB GLU A 11 -8.504 6.337 -7.606 1.00 10.00 C ATOM 146 CG GLU A 11 -8.379 7.496 -8.593 1.00 10.00 C ATOM 147 CD GLU A 11 -7.291 7.209 -9.629 1.00 10.00 C ATOM 148 OE1 GLU A 11 -7.549 6.450 -10.589 1.00 10.00 O ATOM 149 OE2 GLU A 11 -6.148 7.677 -9.443 1.00 10.00 O ATOM 0 H GLU A 11 -10.842 5.560 -7.185 1.00 10.00 H new ATOM 0 HA GLU A 11 -8.975 5.021 -9.266 1.00 10.00 H new ATOM 0 HB2 GLU A 11 -9.134 6.658 -6.776 1.00 10.00 H new ATOM 0 HB3 GLU A 11 -7.517 6.127 -7.194 1.00 10.00 H new ATOM 0 HG2 GLU A 11 -9.333 7.657 -9.095 1.00 10.00 H new ATOM 0 HG3 GLU A 11 -8.143 8.414 -8.055 1.00 10.00 H new ATOM 156 N ILE A 12 -8.482 3.644 -6.270 1.00 10.00 N ATOM 157 CA ILE A 12 -7.610 2.775 -5.502 1.00 10.00 C ATOM 158 C ILE A 12 -7.553 1.383 -6.121 1.00 10.00 C ATOM 159 O ILE A 12 -6.455 0.877 -6.319 1.00 10.00 O ATOM 160 CB ILE A 12 -7.979 2.801 -4.006 1.00 10.00 C ATOM 161 CG1 ILE A 12 -7.839 4.222 -3.429 1.00 10.00 C ATOM 162 CG2 ILE A 12 -7.069 1.881 -3.184 1.00 10.00 C ATOM 163 CD1 ILE A 12 -8.713 4.437 -2.199 1.00 10.00 C ATOM 0 H ILE A 12 -9.227 4.072 -5.721 1.00 10.00 H new ATOM 0 HA ILE A 12 -6.589 3.153 -5.547 1.00 10.00 H new ATOM 0 HB ILE A 12 -9.012 2.459 -3.939 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.797 4.404 -3.167 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -8.107 4.950 -4.194 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -7.359 1.926 -2.134 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -7.166 0.857 -3.544 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -6.034 2.206 -3.288 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.578 5.454 -1.830 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.759 4.283 -2.464 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.428 3.728 -1.422 1.00 10.00 H new ATOM 175 N GLN A 13 -8.694 0.803 -6.513 1.00 10.00 N ATOM 176 CA GLN A 13 -8.712 -0.504 -7.184 1.00 10.00 C ATOM 177 C GLN A 13 -7.768 -0.549 -8.391 1.00 10.00 C ATOM 178 O GLN A 13 -7.253 -1.597 -8.783 1.00 10.00 O ATOM 179 CB GLN A 13 -10.080 -0.737 -7.841 1.00 10.00 C ATOM 180 CG GLN A 13 -11.323 -0.929 -6.976 1.00 10.00 C ATOM 181 CD GLN A 13 -12.552 -1.058 -7.878 1.00 10.00 C ATOM 182 OE1 GLN A 13 -12.504 -0.494 -9.001 1.00 10.00 O ATOM 183 NE2 GLN A 13 -13.508 -1.736 -7.450 1.00 10.00 N ATOM 0 H GLN A 13 -9.616 1.217 -6.378 1.00 10.00 H new ATOM 0 HA GLN A 13 -8.444 -1.225 -6.412 1.00 10.00 H new ATOM 0 HB2 GLN A 13 -10.271 0.111 -8.499 1.00 10.00 H new ATOM 0 HB3 GLN A 13 -9.988 -1.618 -8.476 1.00 10.00 H new ATOM 0 HG2 GLN A 13 -11.216 -1.821 -6.358 1.00 10.00 H new ATOM 0 HG3 GLN A 13 -11.442 -0.084 -6.298 1.00 10.00 H new ATOM 0 HE21 GLN A 13 -13.459 -2.158 -6.523 1.00 10.00 H new ATOM 0 HE22 GLN A 13 -14.338 -1.868 -8.027 1.00 10.00 H new ATOM 190 N LYS A 14 -7.720 0.593 -9.069 1.00 10.00 N ATOM 191 CA LYS A 14 -7.452 0.792 -10.477 1.00 10.00 C ATOM 192 C LYS A 14 -5.989 1.201 -10.679 1.00 10.00 C ATOM 193 O LYS A 14 -5.583 1.587 -11.776 1.00 10.00 O ATOM 194 CB LYS A 14 -8.434 1.902 -10.884 1.00 10.00 C ATOM 195 CG LYS A 14 -9.024 1.843 -12.287 1.00 10.00 C ATOM 196 CD LYS A 14 -10.082 0.728 -12.450 1.00 10.00 C ATOM 197 CE LYS A 14 -11.540 1.179 -12.219 1.00 10.00 C ATOM 198 NZ LYS A 14 -11.938 1.320 -10.803 1.00 10.00 N ATOM 0 H LYS A 14 -7.884 1.482 -8.596 1.00 10.00 H new ATOM 0 HA LYS A 14 -7.589 -0.103 -11.083 1.00 10.00 H new ATOM 0 HB2 LYS A 14 -9.259 1.898 -10.172 1.00 10.00 H new ATOM 0 HB3 LYS A 14 -7.924 2.859 -10.774 1.00 10.00 H new ATOM 0 HG2 LYS A 14 -9.478 2.805 -12.525 1.00 10.00 H new ATOM 0 HG3 LYS A 14 -8.221 1.683 -13.007 1.00 10.00 H new ATOM 0 HD2 LYS A 14 -10.000 0.313 -13.455 1.00 10.00 H new ATOM 0 HD3 LYS A 14 -9.851 -0.077 -11.753 1.00 10.00 H new ATOM 0 HE2 LYS A 14 -11.691 2.136 -12.719 1.00 10.00 H new ATOM 0 HE3 LYS A 14 -12.206 0.461 -12.697 1.00 10.00 H new ATOM 0 HZ1 LYS A 14 -12.867 1.784 -10.748 1.00 10.00 H new ATOM 0 HZ2 LYS A 14 -11.994 0.379 -10.363 1.00 10.00 H new ATOM 0 HZ3 LYS A 14 -11.233 1.896 -10.300 1.00 10.00 H new ATOM 212 N HIS A 15 -5.207 1.123 -9.603 1.00 10.00 N ATOM 213 CA HIS A 15 -3.772 1.276 -9.563 1.00 10.00 C ATOM 214 C HIS A 15 -3.181 -0.120 -9.768 1.00 10.00 C ATOM 215 O HIS A 15 -3.765 -0.935 -10.488 1.00 10.00 O ATOM 216 CB HIS A 15 -3.462 1.983 -8.223 1.00 10.00 C ATOM 217 CG HIS A 15 -3.222 3.451 -8.424 1.00 10.00 C ATOM 218 ND1 HIS A 15 -1.999 4.019 -8.680 1.00 10.00 N ATOM 219 CD2 HIS A 15 -4.176 4.414 -8.599 1.00 10.00 C ATOM 220 CE1 HIS A 15 -2.208 5.302 -9.012 1.00 10.00 C ATOM 221 NE2 HIS A 15 -3.524 5.581 -9.018 1.00 10.00 N ATOM 0 H HIS A 15 -5.596 0.938 -8.678 1.00 10.00 H new ATOM 0 HA HIS A 15 -3.323 1.895 -10.340 1.00 10.00 H new ATOM 0 HB2 HIS A 15 -4.293 1.839 -7.533 1.00 10.00 H new ATOM 0 HB3 HIS A 15 -2.584 1.528 -7.764 1.00 10.00 H new ATOM 0 HD1 HIS A 15 -1.095 3.550 -8.627 1.00 10.00 H new ATOM 0 HD2 HIS A 15 -5.238 4.297 -8.443 1.00 10.00 H new ATOM 0 HE1 HIS A 15 -1.428 6.012 -9.242 1.00 10.00 H new ATOM 229 N ASN A 16 -2.067 -0.437 -9.100 1.00 10.00 N ATOM 230 CA ASN A 16 -1.740 -1.815 -8.711 1.00 10.00 C ATOM 231 C ASN A 16 -1.651 -2.753 -9.915 1.00 10.00 C ATOM 232 O ASN A 16 -1.860 -3.959 -9.789 1.00 10.00 O ATOM 233 CB ASN A 16 -2.656 -2.316 -7.569 1.00 10.00 C ATOM 234 CG ASN A 16 -4.141 -2.062 -7.793 1.00 10.00 C ATOM 235 OD1 ASN A 16 -4.606 -0.959 -7.527 1.00 10.00 O ATOM 236 ND2 ASN A 16 -4.891 -3.033 -8.295 1.00 10.00 N ATOM 0 H ASN A 16 -1.369 0.250 -8.814 1.00 10.00 H new ATOM 0 HA ASN A 16 -0.733 -1.816 -8.293 1.00 10.00 H new ATOM 0 HB2 ASN A 16 -2.499 -3.387 -7.438 1.00 10.00 H new ATOM 0 HB3 ASN A 16 -2.354 -1.833 -6.640 1.00 10.00 H new ATOM 0 HD21 ASN A 16 -5.883 -2.873 -8.470 1.00 10.00 H new ATOM 0 HD22 ASN A 16 -4.476 -3.940 -8.506 1.00 10.00 H new ATOM 290 N SER A 20 0.978 2.775 -10.624 1.00 10.00 N ATOM 291 CA SER A 20 1.761 2.586 -9.428 1.00 10.00 C ATOM 292 C SER A 20 0.851 1.842 -8.447 1.00 10.00 C ATOM 293 O SER A 20 -0.364 1.796 -8.654 1.00 10.00 O ATOM 294 CB SER A 20 2.281 3.934 -8.901 1.00 10.00 C ATOM 295 OG SER A 20 3.414 3.747 -8.081 1.00 10.00 O ATOM 0 HA SER A 20 2.662 1.998 -9.602 1.00 10.00 H new ATOM 0 HB2 SER A 20 2.536 4.583 -9.739 1.00 10.00 H new ATOM 0 HB3 SER A 20 1.496 4.436 -8.336 1.00 10.00 H new ATOM 0 HG SER A 20 3.126 3.556 -7.164 1.00 10.00 H new ATOM 301 N THR A 21 1.438 1.196 -7.453 1.00 10.00 N ATOM 302 CA THR A 21 0.843 0.169 -6.608 1.00 10.00 C ATOM 303 C THR A 21 0.385 0.732 -5.263 1.00 10.00 C ATOM 304 O THR A 21 1.214 1.041 -4.409 1.00 10.00 O ATOM 305 CB THR A 21 1.851 -0.977 -6.436 1.00 10.00 C ATOM 306 OG1 THR A 21 2.410 -1.305 -7.696 1.00 10.00 O ATOM 307 CG2 THR A 21 1.208 -2.220 -5.812 1.00 10.00 C ATOM 0 H THR A 21 2.407 1.386 -7.197 1.00 10.00 H new ATOM 0 HA THR A 21 -0.055 -0.215 -7.092 1.00 10.00 H new ATOM 0 HB THR A 21 2.632 -0.637 -5.755 1.00 10.00 H new ATOM 0 HG1 THR A 21 2.213 -2.241 -7.907 1.00 10.00 H new ATOM 0 HG21 THR A 21 1.958 -3.005 -5.709 1.00 10.00 H new ATOM 0 HG22 THR A 21 0.809 -1.969 -4.829 1.00 10.00 H new ATOM 0 HG23 THR A 21 0.400 -2.572 -6.453 1.00 10.00 H new ATOM 315 N TRP A 22 -0.939 0.831 -5.097 1.00 10.00 N ATOM 316 CA TRP A 22 -1.634 1.490 -3.999 1.00 10.00 C ATOM 317 C TRP A 22 -2.213 0.468 -3.025 1.00 10.00 C ATOM 318 O TRP A 22 -2.738 -0.536 -3.483 1.00 10.00 O ATOM 319 CB TRP A 22 -2.790 2.291 -4.609 1.00 10.00 C ATOM 320 CG TRP A 22 -2.421 3.645 -5.136 1.00 10.00 C ATOM 321 CD1 TRP A 22 -1.194 4.023 -5.546 1.00 10.00 C ATOM 322 CD2 TRP A 22 -3.276 4.804 -5.352 1.00 10.00 C ATOM 323 NE1 TRP A 22 -1.226 5.326 -5.987 1.00 10.00 N ATOM 324 CE2 TRP A 22 -2.505 5.851 -5.935 1.00 10.00 C ATOM 325 CE3 TRP A 22 -4.630 5.073 -5.097 1.00 10.00 C ATOM 326 CZ2 TRP A 22 -3.075 7.083 -6.300 1.00 10.00 C ATOM 327 CZ3 TRP A 22 -5.226 6.280 -5.497 1.00 10.00 C ATOM 328 CH2 TRP A 22 -4.464 7.263 -6.147 1.00 10.00 C ATOM 0 H TRP A 22 -1.589 0.426 -5.771 1.00 10.00 H new ATOM 0 HA TRP A 22 -0.937 2.127 -3.454 1.00 10.00 H new ATOM 0 HB2 TRP A 22 -3.225 1.709 -5.421 1.00 10.00 H new ATOM 0 HB3 TRP A 22 -3.566 2.412 -3.853 1.00 10.00 H new ATOM 0 HD1 TRP A 22 -0.315 3.396 -5.531 1.00 10.00 H new ATOM 0 HE1 TRP A 22 -0.408 5.841 -6.312 1.00 10.00 H new ATOM 0 HE3 TRP A 22 -5.227 4.335 -4.582 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 -2.458 7.879 -6.691 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 -6.274 6.452 -5.304 1.00 10.00 H new ATOM 0 HH2 TRP A 22 -4.940 8.154 -6.528 1.00 10.00 H new ATOM 339 N LEU A 23 -2.190 0.725 -1.713 1.00 10.00 N ATOM 340 CA LEU A 23 -2.915 -0.071 -0.718 1.00 10.00 C ATOM 341 C LEU A 23 -3.464 0.862 0.363 1.00 10.00 C ATOM 342 O LEU A 23 -2.948 1.970 0.507 1.00 10.00 O ATOM 343 CB LEU A 23 -2.057 -1.193 -0.086 1.00 10.00 C ATOM 344 CG LEU A 23 -0.625 -1.383 -0.611 1.00 10.00 C ATOM 345 CD1 LEU A 23 0.289 -0.492 0.214 1.00 10.00 C ATOM 346 CD2 LEU A 23 -0.149 -2.832 -0.465 1.00 10.00 C ATOM 0 H LEU A 23 -1.663 1.499 -1.309 1.00 10.00 H new ATOM 0 HA LEU A 23 -3.731 -0.577 -1.234 1.00 10.00 H new ATOM 0 HB2 LEU A 23 -1.998 -1.006 0.986 1.00 10.00 H new ATOM 0 HB3 LEU A 23 -2.589 -2.135 -0.217 1.00 10.00 H new ATOM 0 HG LEU A 23 -0.604 -1.128 -1.671 1.00 10.00 H new ATOM 0 HD11 LEU A 23 1.316 -0.603 -0.134 1.00 10.00 H new ATOM 0 HD12 LEU A 23 -0.021 0.547 0.105 1.00 10.00 H new ATOM 0 HD13 LEU A 23 0.228 -0.780 1.263 1.00 10.00 H new ATOM 0 HD21 LEU A 23 0.867 -2.921 -0.848 1.00 10.00 H new ATOM 0 HD22 LEU A 23 -0.167 -3.116 0.587 1.00 10.00 H new ATOM 0 HD23 LEU A 23 -0.809 -3.490 -1.030 1.00 10.00 H new ATOM 358 N ILE A 24 -4.486 0.431 1.114 1.00 10.00 N ATOM 359 CA ILE A 24 -5.034 1.184 2.244 1.00 10.00 C ATOM 360 C ILE A 24 -4.490 0.611 3.547 1.00 10.00 C ATOM 361 O ILE A 24 -4.642 -0.583 3.792 1.00 10.00 O ATOM 362 CB ILE A 24 -6.582 1.179 2.284 1.00 10.00 C ATOM 363 CG1 ILE A 24 -7.296 1.266 0.925 1.00 10.00 C ATOM 364 CG2 ILE A 24 -7.065 2.321 3.186 1.00 10.00 C ATOM 365 CD1 ILE A 24 -8.697 0.649 1.000 1.00 10.00 C ATOM 0 H ILE A 24 -4.958 -0.458 0.951 1.00 10.00 H new ATOM 0 HA ILE A 24 -4.723 2.221 2.117 1.00 10.00 H new ATOM 0 HB ILE A 24 -6.851 0.198 2.676 1.00 10.00 H new ATOM 0 HG12 ILE A 24 -7.370 2.308 0.615 1.00 10.00 H new ATOM 0 HG13 ILE A 24 -6.707 0.749 0.167 1.00 10.00 H new ATOM 0 HG21 ILE A 24 -8.155 2.323 3.218 1.00 10.00 H new ATOM 0 HG22 ILE A 24 -6.672 2.180 4.193 1.00 10.00 H new ATOM 0 HG23 ILE A 24 -6.712 3.273 2.789 1.00 10.00 H new ATOM 0 HD11 ILE A 24 -9.180 0.724 0.026 1.00 10.00 H new ATOM 0 HD12 ILE A 24 -8.618 -0.400 1.286 1.00 10.00 H new ATOM 0 HD13 ILE A 24 -9.291 1.184 1.741 1.00 10.00 H new ATOM 377 N LEU A 25 -3.875 1.464 4.372 1.00 10.00 N ATOM 378 CA LEU A 25 -3.335 1.123 5.683 1.00 10.00 C ATOM 379 C LEU A 25 -3.865 2.163 6.684 1.00 10.00 C ATOM 380 O LEU A 25 -3.276 3.229 6.865 1.00 10.00 O ATOM 381 CB LEU A 25 -1.798 1.101 5.634 1.00 10.00 C ATOM 382 CG LEU A 25 -1.091 -0.204 5.229 1.00 10.00 C ATOM 383 CD1 LEU A 25 -1.500 -0.747 3.861 1.00 10.00 C ATOM 384 CD2 LEU A 25 0.426 0.034 5.191 1.00 10.00 C ATOM 0 H LEU A 25 -3.737 2.446 4.132 1.00 10.00 H new ATOM 0 HA LEU A 25 -3.651 0.127 5.994 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.478 1.879 4.941 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.432 1.383 6.621 1.00 10.00 H new ATOM 0 HG LEU A 25 -1.387 -0.940 5.976 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.953 -1.668 3.657 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -2.571 -0.952 3.856 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.268 -0.009 3.093 1.00 10.00 H new ATOM 0 HD21 LEU A 25 0.932 -0.888 4.904 1.00 10.00 H new ATOM 0 HD22 LEU A 25 0.654 0.814 4.464 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.770 0.345 6.177 1.00 10.00 H new ATOM 396 N HIS A 26 -4.988 1.866 7.339 1.00 10.00 N ATOM 397 CA HIS A 26 -5.669 2.732 8.299 1.00 10.00 C ATOM 398 C HIS A 26 -6.305 3.916 7.576 1.00 10.00 C ATOM 399 O HIS A 26 -6.015 5.071 7.904 1.00 10.00 O ATOM 400 CB HIS A 26 -4.742 3.203 9.437 1.00 10.00 C ATOM 401 CG HIS A 26 -3.918 2.120 10.081 1.00 10.00 C ATOM 402 ND1 HIS A 26 -4.283 1.372 11.178 1.00 10.00 N ATOM 403 CD2 HIS A 26 -2.645 1.755 9.728 1.00 10.00 C ATOM 404 CE1 HIS A 26 -3.251 0.564 11.472 1.00 10.00 C ATOM 405 NE2 HIS A 26 -2.234 0.762 10.617 1.00 10.00 N ATOM 0 H HIS A 26 -5.468 0.976 7.208 1.00 10.00 H new ATOM 0 HA HIS A 26 -6.454 2.142 8.772 1.00 10.00 H new ATOM 0 HB2 HIS A 26 -4.069 3.965 9.044 1.00 10.00 H new ATOM 0 HB3 HIS A 26 -5.350 3.681 10.205 1.00 10.00 H new ATOM 0 HD1 HIS A 26 -5.172 1.422 11.675 1.00 10.00 H new ATOM 0 HD2 HIS A 26 -2.067 2.162 8.912 1.00 10.00 H new ATOM 0 HE1 HIS A 26 -3.240 -0.147 12.285 1.00 10.00 H new ATOM 413 N TYR A 27 -7.130 3.638 6.563 1.00 10.00 N ATOM 414 CA TYR A 27 -7.838 4.609 5.726 1.00 10.00 C ATOM 415 C TYR A 27 -6.920 5.430 4.815 1.00 10.00 C ATOM 416 O TYR A 27 -7.289 5.718 3.681 1.00 10.00 O ATOM 417 CB TYR A 27 -8.786 5.495 6.545 1.00 10.00 C ATOM 418 CG TYR A 27 -9.849 4.706 7.282 1.00 10.00 C ATOM 419 CD1 TYR A 27 -10.863 4.059 6.551 1.00 10.00 C ATOM 420 CD2 TYR A 27 -9.782 4.544 8.679 1.00 10.00 C ATOM 421 CE1 TYR A 27 -11.790 3.236 7.210 1.00 10.00 C ATOM 422 CE2 TYR A 27 -10.733 3.747 9.341 1.00 10.00 C ATOM 423 CZ TYR A 27 -11.736 3.092 8.606 1.00 10.00 C ATOM 424 OH TYR A 27 -12.665 2.324 9.241 1.00 10.00 O ATOM 0 H TYR A 27 -7.333 2.676 6.290 1.00 10.00 H new ATOM 0 HA TYR A 27 -8.453 4.014 5.051 1.00 10.00 H new ATOM 0 HB2 TYR A 27 -8.204 6.070 7.265 1.00 10.00 H new ATOM 0 HB3 TYR A 27 -9.269 6.211 5.880 1.00 10.00 H new ATOM 0 HD1 TYR A 27 -10.928 4.196 5.482 1.00 10.00 H new ATOM 0 HD2 TYR A 27 -9.000 5.032 9.242 1.00 10.00 H new ATOM 0 HE1 TYR A 27 -12.546 2.713 6.643 1.00 10.00 H new ATOM 0 HE2 TYR A 27 -10.693 3.638 10.415 1.00 10.00 H new ATOM 0 HH TYR A 27 -12.488 2.326 10.205 1.00 10.00 H new ATOM 434 N LYS A 28 -5.722 5.793 5.276 1.00 10.00 N ATOM 435 CA LYS A 28 -4.708 6.384 4.421 1.00 10.00 C ATOM 436 C LYS A 28 -4.373 5.412 3.289 1.00 10.00 C ATOM 437 O LYS A 28 -4.479 4.199 3.466 1.00 10.00 O ATOM 438 CB LYS A 28 -3.461 6.760 5.236 1.00 10.00 C ATOM 439 CG LYS A 28 -3.442 8.205 5.729 1.00 10.00 C ATOM 440 CD LYS A 28 -4.595 8.588 6.658 1.00 10.00 C ATOM 441 CE LYS A 28 -4.344 8.344 8.152 1.00 10.00 C ATOM 442 NZ LYS A 28 -4.178 6.918 8.487 1.00 10.00 N ATOM 0 H LYS A 28 -5.435 5.684 6.249 1.00 10.00 H new ATOM 0 HA LYS A 28 -5.092 7.305 3.983 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -3.390 6.094 6.096 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -2.576 6.586 4.624 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -2.501 8.382 6.250 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -3.457 8.868 4.864 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -4.821 9.644 6.512 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -5.481 8.028 6.359 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -3.451 8.889 8.458 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -5.177 8.751 8.725 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -4.366 6.775 9.500 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -4.845 6.350 7.927 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -3.205 6.622 8.271 1.00 10.00 H new ATOM 456 N VAL A 29 -3.963 5.963 2.144 1.00 10.00 N ATOM 457 CA VAL A 29 -3.613 5.259 0.920 1.00 10.00 C ATOM 458 C VAL A 29 -2.112 5.433 0.678 1.00 10.00 C ATOM 459 O VAL A 29 -1.571 6.519 0.896 1.00 10.00 O ATOM 460 CB VAL A 29 -4.457 5.787 -0.245 1.00 10.00 C ATOM 461 CG1 VAL A 29 -4.040 5.176 -1.579 1.00 10.00 C ATOM 462 CG2 VAL A 29 -5.928 5.421 -0.051 1.00 10.00 C ATOM 0 H VAL A 29 -3.862 6.973 2.047 1.00 10.00 H new ATOM 0 HA VAL A 29 -3.827 4.194 1.007 1.00 10.00 H new ATOM 0 HB VAL A 29 -4.305 6.866 -0.259 1.00 10.00 H new ATOM 0 HG11 VAL A 29 -4.665 5.579 -2.375 1.00 10.00 H new ATOM 0 HG12 VAL A 29 -2.996 5.418 -1.780 1.00 10.00 H new ATOM 0 HG13 VAL A 29 -4.160 4.093 -1.537 1.00 10.00 H new ATOM 0 HG21 VAL A 29 -6.512 5.804 -0.888 1.00 10.00 H new ATOM 0 HG22 VAL A 29 -6.030 4.337 -0.004 1.00 10.00 H new ATOM 0 HG23 VAL A 29 -6.293 5.861 0.877 1.00 10.00 H new ATOM 472 N TYR A 30 -1.458 4.332 0.301 1.00 10.00 N ATOM 473 CA TYR A 30 -0.027 4.103 0.410 1.00 10.00 C ATOM 474 C TYR A 30 0.456 3.599 -0.945 1.00 10.00 C ATOM 475 O TYR A 30 -0.022 2.553 -1.375 1.00 10.00 O ATOM 476 CB TYR A 30 0.175 3.039 1.504 1.00 10.00 C ATOM 477 CG TYR A 30 0.013 3.576 2.913 1.00 10.00 C ATOM 478 CD1 TYR A 30 -1.268 3.935 3.354 1.00 10.00 C ATOM 479 CD2 TYR A 30 1.088 3.630 3.818 1.00 10.00 C ATOM 480 CE1 TYR A 30 -1.482 4.308 4.680 1.00 10.00 C ATOM 481 CE2 TYR A 30 0.857 3.963 5.169 1.00 10.00 C ATOM 482 CZ TYR A 30 -0.439 4.264 5.607 1.00 10.00 C ATOM 483 OH TYR A 30 -0.735 4.330 6.936 1.00 10.00 O ATOM 0 H TYR A 30 -1.945 3.536 -0.110 1.00 10.00 H new ATOM 0 HA TYR A 30 0.531 5.002 0.673 1.00 10.00 H new ATOM 0 HB2 TYR A 30 -0.539 2.230 1.348 1.00 10.00 H new ATOM 0 HB3 TYR A 30 1.171 2.609 1.401 1.00 10.00 H new ATOM 0 HD1 TYR A 30 -2.096 3.923 2.661 1.00 10.00 H new ATOM 0 HD2 TYR A 30 2.091 3.416 3.478 1.00 10.00 H new ATOM 0 HE1 TYR A 30 -2.463 4.634 4.993 1.00 10.00 H new ATOM 0 HE2 TYR A 30 1.681 3.986 5.867 1.00 10.00 H new ATOM 0 HH TYR A 30 -1.625 3.951 7.092 1.00 10.00 H new ATOM 493 N ASP A 31 1.360 4.325 -1.615 1.00 10.00 N ATOM 494 CA ASP A 31 1.865 3.982 -2.945 1.00 10.00 C ATOM 495 C ASP A 31 3.283 3.451 -2.801 1.00 10.00 C ATOM 496 O ASP A 31 4.049 4.036 -2.036 1.00 10.00 O ATOM 497 CB ASP A 31 1.906 5.216 -3.852 1.00 10.00 C ATOM 498 CG ASP A 31 1.926 4.850 -5.329 1.00 10.00 C ATOM 499 OD1 ASP A 31 2.403 3.740 -5.653 1.00 10.00 O ATOM 500 OD2 ASP A 31 1.398 5.657 -6.128 1.00 10.00 O ATOM 0 H ASP A 31 1.766 5.182 -1.239 1.00 10.00 H new ATOM 0 HA ASP A 31 1.203 3.238 -3.388 1.00 10.00 H new ATOM 0 HB2 ASP A 31 1.038 5.843 -3.648 1.00 10.00 H new ATOM 0 HB3 ASP A 31 2.790 5.808 -3.615 1.00 10.00 H new ATOM 505 N LEU A 32 3.639 2.372 -3.503 1.00 10.00 N ATOM 506 CA LEU A 32 4.993 1.837 -3.446 1.00 10.00 C ATOM 507 C LEU A 32 5.578 1.671 -4.854 1.00 10.00 C ATOM 508 O LEU A 32 6.404 2.477 -5.282 1.00 10.00 O ATOM 509 CB LEU A 32 5.086 0.554 -2.585 1.00 10.00 C ATOM 510 CG LEU A 32 3.900 0.222 -1.661 1.00 10.00 C ATOM 511 CD1 LEU A 32 4.179 -1.135 -1.000 1.00 10.00 C ATOM 512 CD2 LEU A 32 3.669 1.260 -0.560 1.00 10.00 C ATOM 0 H LEU A 32 3.007 1.856 -4.115 1.00 10.00 H new ATOM 0 HA LEU A 32 5.618 2.567 -2.932 1.00 10.00 H new ATOM 0 HB2 LEU A 32 5.233 -0.291 -3.258 1.00 10.00 H new ATOM 0 HB3 LEU A 32 5.981 0.629 -1.967 1.00 10.00 H new ATOM 0 HG LEU A 32 3.001 0.211 -2.278 1.00 10.00 H new ATOM 0 HD11 LEU A 32 3.352 -1.394 -0.339 1.00 10.00 H new ATOM 0 HD12 LEU A 32 4.282 -1.900 -1.769 1.00 10.00 H new ATOM 0 HD13 LEU A 32 5.101 -1.075 -0.422 1.00 10.00 H new ATOM 0 HD21 LEU A 32 2.818 0.959 0.051 1.00 10.00 H new ATOM 0 HD22 LEU A 32 4.558 1.330 0.066 1.00 10.00 H new ATOM 0 HD23 LEU A 32 3.466 2.231 -1.012 1.00 10.00 H new ATOM 524 N THR A 33 5.203 0.593 -5.550 1.00 10.00 N ATOM 525 CA THR A 33 5.790 0.111 -6.800 1.00 10.00 C ATOM 526 C THR A 33 7.298 -0.138 -6.707 1.00 10.00 C ATOM 527 O THR A 33 7.732 -1.282 -6.719 1.00 10.00 O ATOM 528 CB THR A 33 5.394 0.983 -7.995 1.00 10.00 C ATOM 529 OG1 THR A 33 4.010 0.828 -8.150 1.00 10.00 O ATOM 530 CG2 THR A 33 6.036 0.541 -9.313 1.00 10.00 C ATOM 0 H THR A 33 4.435 -0.000 -5.235 1.00 10.00 H new ATOM 0 HA THR A 33 5.356 -0.872 -6.980 1.00 10.00 H new ATOM 0 HB THR A 33 5.720 2.003 -7.794 1.00 10.00 H new ATOM 0 HG1 THR A 33 3.759 -0.096 -7.941 1.00 10.00 H new ATOM 0 HG21 THR A 33 5.711 1.203 -10.116 1.00 10.00 H new ATOM 0 HG22 THR A 33 7.121 0.586 -9.222 1.00 10.00 H new ATOM 0 HG23 THR A 33 5.733 -0.481 -9.541 1.00 10.00 H new ATOM 538 N LYS A 34 8.116 0.905 -6.579 1.00 10.00 N ATOM 539 CA LYS A 34 9.566 0.771 -6.479 1.00 10.00 C ATOM 540 C LYS A 34 9.957 -0.177 -5.341 1.00 10.00 C ATOM 541 O LYS A 34 10.963 -0.877 -5.417 1.00 10.00 O ATOM 542 CB LYS A 34 10.188 2.155 -6.257 1.00 10.00 C ATOM 543 CG LYS A 34 9.904 3.103 -7.429 1.00 10.00 C ATOM 544 CD LYS A 34 10.548 4.468 -7.160 1.00 10.00 C ATOM 545 CE LYS A 34 10.242 5.436 -8.311 1.00 10.00 C ATOM 546 NZ LYS A 34 10.821 6.775 -8.077 1.00 10.00 N ATOM 0 H LYS A 34 7.789 1.870 -6.542 1.00 10.00 H new ATOM 0 HA LYS A 34 9.943 0.345 -7.409 1.00 10.00 H new ATOM 0 HB2 LYS A 34 9.794 2.587 -5.337 1.00 10.00 H new ATOM 0 HB3 LYS A 34 11.265 2.052 -6.126 1.00 10.00 H new ATOM 0 HG2 LYS A 34 10.297 2.681 -8.354 1.00 10.00 H new ATOM 0 HG3 LYS A 34 8.828 3.218 -7.563 1.00 10.00 H new ATOM 0 HD2 LYS A 34 10.172 4.877 -6.222 1.00 10.00 H new ATOM 0 HD3 LYS A 34 11.626 4.354 -7.049 1.00 10.00 H new ATOM 0 HE2 LYS A 34 10.636 5.028 -9.242 1.00 10.00 H new ATOM 0 HE3 LYS A 34 9.162 5.524 -8.433 1.00 10.00 H new ATOM 0 HZ1 LYS A 34 10.591 7.397 -8.878 1.00 10.00 H new ATOM 0 HZ2 LYS A 34 10.426 7.176 -7.202 1.00 10.00 H new ATOM 0 HZ3 LYS A 34 11.854 6.695 -7.986 1.00 10.00 H new ATOM 560 N PHE A 35 9.147 -0.209 -4.280 1.00 10.00 N ATOM 561 CA PHE A 35 9.447 -0.988 -3.094 1.00 10.00 C ATOM 562 C PHE A 35 9.215 -2.468 -3.356 1.00 10.00 C ATOM 563 O PHE A 35 9.862 -3.313 -2.753 1.00 10.00 O ATOM 564 CB PHE A 35 8.583 -0.517 -1.923 1.00 10.00 C ATOM 565 CG PHE A 35 9.237 -0.832 -0.593 1.00 10.00 C ATOM 566 CD1 PHE A 35 10.381 -0.100 -0.223 1.00 10.00 C ATOM 567 CD2 PHE A 35 8.918 -2.017 0.097 1.00 10.00 C ATOM 568 CE1 PHE A 35 11.181 -0.522 0.850 1.00 10.00 C ATOM 569 CE2 PHE A 35 9.763 -2.475 1.123 1.00 10.00 C ATOM 570 CZ PHE A 35 10.880 -1.720 1.514 1.00 10.00 C ATOM 0 H PHE A 35 8.268 0.306 -4.227 1.00 10.00 H new ATOM 0 HA PHE A 35 10.497 -0.842 -2.839 1.00 10.00 H new ATOM 0 HB2 PHE A 35 8.414 0.557 -2.002 1.00 10.00 H new ATOM 0 HB3 PHE A 35 7.606 -0.998 -1.973 1.00 10.00 H new ATOM 0 HD1 PHE A 35 10.645 0.793 -0.769 1.00 10.00 H new ATOM 0 HD2 PHE A 35 8.028 -2.572 -0.161 1.00 10.00 H new ATOM 0 HE1 PHE A 35 12.026 0.074 1.163 1.00 10.00 H new ATOM 0 HE2 PHE A 35 9.551 -3.414 1.613 1.00 10.00 H new ATOM 0 HZ PHE A 35 11.507 -2.061 2.325 1.00 10.00 H new ATOM 580 N LEU A 36 8.287 -2.784 -4.261 1.00 10.00 N ATOM 581 CA LEU A 36 7.974 -4.146 -4.667 1.00 10.00 C ATOM 582 C LEU A 36 9.245 -4.933 -4.997 1.00 10.00 C ATOM 583 O LEU A 36 9.366 -6.104 -4.647 1.00 10.00 O ATOM 584 CB LEU A 36 7.079 -4.096 -5.907 1.00 10.00 C ATOM 585 CG LEU A 36 5.727 -3.395 -5.732 1.00 10.00 C ATOM 586 CD1 LEU A 36 4.989 -3.504 -7.069 1.00 10.00 C ATOM 587 CD2 LEU A 36 4.893 -4.013 -4.612 1.00 10.00 C ATOM 0 H LEU A 36 7.723 -2.082 -4.739 1.00 10.00 H new ATOM 0 HA LEU A 36 7.466 -4.647 -3.843 1.00 10.00 H new ATOM 0 HB2 LEU A 36 7.626 -3.594 -6.705 1.00 10.00 H new ATOM 0 HB3 LEU A 36 6.896 -5.118 -6.240 1.00 10.00 H new ATOM 0 HG LEU A 36 5.890 -2.355 -5.449 1.00 10.00 H new ATOM 0 HD11 LEU A 36 4.018 -3.016 -6.989 1.00 10.00 H new ATOM 0 HD12 LEU A 36 5.576 -3.019 -7.849 1.00 10.00 H new ATOM 0 HD13 LEU A 36 4.848 -4.555 -7.322 1.00 10.00 H new ATOM 0 HD21 LEU A 36 3.945 -3.481 -4.528 1.00 10.00 H new ATOM 0 HD22 LEU A 36 4.702 -5.062 -4.837 1.00 10.00 H new ATOM 0 HD23 LEU A 36 5.436 -3.937 -3.670 1.00 10.00 H new ATOM 599 N GLU A 37 10.180 -4.264 -5.673 1.00 10.00 N ATOM 600 CA GLU A 37 11.468 -4.807 -6.075 1.00 10.00 C ATOM 601 C GLU A 37 12.252 -5.286 -4.848 1.00 10.00 C ATOM 602 O GLU A 37 12.843 -6.364 -4.848 1.00 10.00 O ATOM 603 CB GLU A 37 12.218 -3.700 -6.833 1.00 10.00 C ATOM 604 CG GLU A 37 13.324 -4.249 -7.739 1.00 10.00 C ATOM 605 CD GLU A 37 13.985 -3.135 -8.542 1.00 10.00 C ATOM 606 OE1 GLU A 37 13.238 -2.431 -9.255 1.00 10.00 O ATOM 607 OE2 GLU A 37 15.223 -3.005 -8.428 1.00 10.00 O ATOM 0 H GLU A 37 10.052 -3.295 -5.964 1.00 10.00 H new ATOM 0 HA GLU A 37 11.342 -5.674 -6.723 1.00 10.00 H new ATOM 0 HB2 GLU A 37 11.508 -3.133 -7.436 1.00 10.00 H new ATOM 0 HB3 GLU A 37 12.654 -3.005 -6.115 1.00 10.00 H new ATOM 0 HG2 GLU A 37 14.074 -4.758 -7.134 1.00 10.00 H new ATOM 0 HG3 GLU A 37 12.905 -4.991 -8.419 1.00 10.00 H new ATOM 614 N GLU A 38 12.248 -4.458 -3.803 1.00 10.00 N ATOM 615 CA GLU A 38 12.952 -4.695 -2.553 1.00 10.00 C ATOM 616 C GLU A 38 12.222 -5.744 -1.704 1.00 10.00 C ATOM 617 O GLU A 38 12.849 -6.610 -1.097 1.00 10.00 O ATOM 618 CB GLU A 38 13.071 -3.344 -1.823 1.00 10.00 C ATOM 619 CG GLU A 38 13.916 -3.434 -0.549 1.00 10.00 C ATOM 620 CD GLU A 38 14.037 -2.092 0.164 1.00 10.00 C ATOM 621 OE1 GLU A 38 14.113 -1.064 -0.545 1.00 10.00 O ATOM 622 OE2 GLU A 38 14.043 -2.115 1.413 1.00 10.00 O ATOM 0 H GLU A 38 11.736 -3.576 -3.809 1.00 10.00 H new ATOM 0 HA GLU A 38 13.947 -5.097 -2.742 1.00 10.00 H new ATOM 0 HB2 GLU A 38 13.513 -2.609 -2.496 1.00 10.00 H new ATOM 0 HB3 GLU A 38 12.074 -2.984 -1.568 1.00 10.00 H new ATOM 0 HG2 GLU A 38 13.471 -4.163 0.128 1.00 10.00 H new ATOM 0 HG3 GLU A 38 14.911 -3.799 -0.802 1.00 10.00 H new ATOM 629 N HIS A 39 10.896 -5.617 -1.620 1.00 10.00 N ATOM 630 CA HIS A 39 10.040 -6.208 -0.603 1.00 10.00 C ATOM 631 C HIS A 39 10.318 -7.698 -0.341 1.00 10.00 C ATOM 632 O HIS A 39 9.898 -8.533 -1.141 1.00 10.00 O ATOM 633 CB HIS A 39 8.571 -6.000 -0.990 1.00 10.00 C ATOM 634 CG HIS A 39 7.633 -6.404 0.116 1.00 10.00 C ATOM 635 ND1 HIS A 39 6.612 -7.325 0.043 1.00 10.00 N ATOM 636 CD2 HIS A 39 7.639 -5.900 1.385 1.00 10.00 C ATOM 637 CE1 HIS A 39 6.015 -7.352 1.250 1.00 10.00 C ATOM 638 NE2 HIS A 39 6.615 -6.503 2.106 1.00 10.00 N ATOM 0 H HIS A 39 10.368 -5.069 -2.299 1.00 10.00 H new ATOM 0 HA HIS A 39 10.266 -5.697 0.333 1.00 10.00 H new ATOM 0 HB2 HIS A 39 8.407 -4.952 -1.239 1.00 10.00 H new ATOM 0 HB3 HIS A 39 8.347 -6.580 -1.885 1.00 10.00 H new ATOM 0 HD1 HIS A 39 6.356 -7.882 -0.772 1.00 10.00 H new ATOM 0 HD2 HIS A 39 8.325 -5.157 1.765 1.00 10.00 H new ATOM 0 HE1 HIS A 39 5.167 -7.973 1.499 1.00 10.00 H new ATOM 646 N PRO A 40 10.926 -8.056 0.806 1.00 10.00 N ATOM 647 CA PRO A 40 11.167 -9.439 1.202 1.00 10.00 C ATOM 648 C PRO A 40 9.931 -10.338 1.096 1.00 10.00 C ATOM 649 O PRO A 40 10.045 -11.501 0.722 1.00 10.00 O ATOM 650 CB PRO A 40 11.694 -9.369 2.638 1.00 10.00 C ATOM 651 CG PRO A 40 12.405 -8.018 2.662 1.00 10.00 C ATOM 652 CD PRO A 40 11.494 -7.150 1.796 1.00 10.00 C ATOM 0 HA PRO A 40 11.882 -9.902 0.522 1.00 10.00 H new ATOM 0 HB2 PRO A 40 10.887 -9.416 3.369 1.00 10.00 H new ATOM 0 HB3 PRO A 40 12.375 -10.190 2.861 1.00 10.00 H new ATOM 0 HG2 PRO A 40 12.497 -7.626 3.675 1.00 10.00 H new ATOM 0 HG3 PRO A 40 13.413 -8.083 2.253 1.00 10.00 H new ATOM 0 HD2 PRO A 40 10.713 -6.681 2.394 1.00 10.00 H new ATOM 0 HD3 PRO A 40 12.055 -6.347 1.318 1.00 10.00 H new ATOM 660 N GLY A 41 8.747 -9.806 1.419 1.00 10.00 N ATOM 661 CA GLY A 41 7.493 -10.537 1.286 1.00 10.00 C ATOM 662 C GLY A 41 7.237 -11.042 -0.139 1.00 10.00 C ATOM 663 O GLY A 41 6.566 -12.057 -0.308 1.00 10.00 O ATOM 0 H GLY A 41 8.637 -8.858 1.779 1.00 10.00 H new ATOM 0 HA2 GLY A 41 7.500 -11.386 1.970 1.00 10.00 H new ATOM 0 HA3 GLY A 41 6.669 -9.891 1.589 1.00 10.00 H new ATOM 667 N GLY A 42 7.722 -10.327 -1.161 1.00 10.00 N ATOM 668 CA GLY A 42 7.368 -10.555 -2.558 1.00 10.00 C ATOM 669 C GLY A 42 6.354 -9.513 -3.024 1.00 10.00 C ATOM 670 O GLY A 42 5.763 -8.807 -2.204 1.00 10.00 O ATOM 0 H GLY A 42 8.383 -9.561 -1.033 1.00 10.00 H new ATOM 0 HA2 GLY A 42 8.262 -10.506 -3.180 1.00 10.00 H new ATOM 0 HA3 GLY A 42 6.952 -11.556 -2.676 1.00 10.00 H new ATOM 674 N GLU A 43 6.170 -9.402 -4.344 1.00 10.00 N ATOM 675 CA GLU A 43 5.304 -8.406 -4.955 1.00 10.00 C ATOM 676 C GLU A 43 3.857 -8.904 -5.014 1.00 10.00 C ATOM 677 O GLU A 43 3.008 -8.302 -4.364 1.00 10.00 O ATOM 678 CB GLU A 43 5.913 -7.928 -6.281 1.00 10.00 C ATOM 679 CG GLU A 43 4.961 -7.124 -7.171 1.00 10.00 C ATOM 680 CD GLU A 43 4.061 -7.982 -8.047 1.00 10.00 C ATOM 681 OE1 GLU A 43 4.418 -9.165 -8.230 1.00 10.00 O ATOM 682 OE2 GLU A 43 3.036 -7.431 -8.501 1.00 10.00 O ATOM 0 H GLU A 43 6.627 -10.013 -5.021 1.00 10.00 H new ATOM 0 HA GLU A 43 5.243 -7.510 -4.337 1.00 10.00 H new ATOM 0 HB2 GLU A 43 6.788 -7.316 -6.063 1.00 10.00 H new ATOM 0 HB3 GLU A 43 6.262 -8.797 -6.838 1.00 10.00 H new ATOM 0 HG2 GLU A 43 4.339 -6.490 -6.540 1.00 10.00 H new ATOM 0 HG3 GLU A 43 5.548 -6.462 -7.808 1.00 10.00 H new ATOM 689 N GLU A 44 3.543 -9.980 -5.747 1.00 10.00 N ATOM 690 CA GLU A 44 2.143 -10.373 -5.938 1.00 10.00 C ATOM 691 C GLU A 44 1.352 -10.437 -4.626 1.00 10.00 C ATOM 692 O GLU A 44 0.243 -9.930 -4.542 1.00 10.00 O ATOM 693 CB GLU A 44 1.990 -11.712 -6.669 1.00 10.00 C ATOM 694 CG GLU A 44 2.074 -11.609 -8.208 1.00 10.00 C ATOM 695 CD GLU A 44 0.916 -10.837 -8.865 1.00 10.00 C ATOM 696 OE1 GLU A 44 0.065 -10.275 -8.136 1.00 10.00 O ATOM 697 OE2 GLU A 44 0.854 -10.798 -10.117 1.00 10.00 O ATOM 0 H GLU A 44 4.224 -10.582 -6.209 1.00 10.00 H new ATOM 0 HA GLU A 44 1.728 -9.581 -6.561 1.00 10.00 H new ATOM 0 HB2 GLU A 44 2.765 -12.394 -6.319 1.00 10.00 H new ATOM 0 HB3 GLU A 44 1.031 -12.153 -6.398 1.00 10.00 H new ATOM 0 HG2 GLU A 44 3.013 -11.125 -8.475 1.00 10.00 H new ATOM 0 HG3 GLU A 44 2.104 -12.616 -8.625 1.00 10.00 H new ATOM 704 N VAL A 45 1.916 -11.048 -3.585 1.00 10.00 N ATOM 705 CA VAL A 45 1.298 -11.055 -2.250 1.00 10.00 C ATOM 706 C VAL A 45 0.901 -9.645 -1.764 1.00 10.00 C ATOM 707 O VAL A 45 -0.155 -9.486 -1.153 1.00 10.00 O ATOM 708 CB VAL A 45 2.205 -11.793 -1.247 1.00 10.00 C ATOM 709 CG1 VAL A 45 3.562 -11.108 -1.054 1.00 10.00 C ATOM 710 CG2 VAL A 45 1.530 -11.948 0.123 1.00 10.00 C ATOM 0 H VAL A 45 2.804 -11.548 -3.636 1.00 10.00 H new ATOM 0 HA VAL A 45 0.359 -11.604 -2.323 1.00 10.00 H new ATOM 0 HB VAL A 45 2.375 -12.777 -1.685 1.00 10.00 H new ATOM 0 HG11 VAL A 45 4.156 -11.674 -0.337 1.00 10.00 H new ATOM 0 HG12 VAL A 45 4.088 -11.066 -2.008 1.00 10.00 H new ATOM 0 HG13 VAL A 45 3.409 -10.096 -0.680 1.00 10.00 H new ATOM 0 HG21 VAL A 45 2.202 -12.473 0.802 1.00 10.00 H new ATOM 0 HG22 VAL A 45 1.301 -10.963 0.529 1.00 10.00 H new ATOM 0 HG23 VAL A 45 0.608 -12.518 0.012 1.00 10.00 H new ATOM 720 N LEU A 46 1.707 -8.610 -2.033 1.00 10.00 N ATOM 721 CA LEU A 46 1.275 -7.231 -1.830 1.00 10.00 C ATOM 722 C LEU A 46 0.151 -6.913 -2.803 1.00 10.00 C ATOM 723 O LEU A 46 -0.887 -6.403 -2.406 1.00 10.00 O ATOM 724 CB LEU A 46 2.399 -6.212 -2.081 1.00 10.00 C ATOM 725 CG LEU A 46 3.557 -6.265 -1.086 1.00 10.00 C ATOM 726 CD1 LEU A 46 4.645 -5.295 -1.547 1.00 10.00 C ATOM 727 CD2 LEU A 46 3.078 -5.830 0.292 1.00 10.00 C ATOM 0 H LEU A 46 2.658 -8.706 -2.390 1.00 10.00 H new ATOM 0 HA LEU A 46 0.958 -7.150 -0.790 1.00 10.00 H new ATOM 0 HB2 LEU A 46 2.795 -6.371 -3.084 1.00 10.00 H new ATOM 0 HB3 LEU A 46 1.970 -5.210 -2.063 1.00 10.00 H new ATOM 0 HG LEU A 46 3.942 -7.283 -1.035 1.00 10.00 H new ATOM 0 HD11 LEU A 46 5.478 -5.323 -0.845 1.00 10.00 H new ATOM 0 HD12 LEU A 46 4.995 -5.585 -2.538 1.00 10.00 H new ATOM 0 HD13 LEU A 46 4.238 -4.285 -1.587 1.00 10.00 H new ATOM 0 HD21 LEU A 46 3.909 -5.871 0.996 1.00 10.00 H new ATOM 0 HD22 LEU A 46 2.696 -4.810 0.239 1.00 10.00 H new ATOM 0 HD23 LEU A 46 2.285 -6.497 0.629 1.00 10.00 H new ATOM 739 N ARG A 47 0.393 -7.171 -4.086 1.00 10.00 N ATOM 740 CA ARG A 47 -0.420 -6.727 -5.205 1.00 10.00 C ATOM 741 C ARG A 47 -1.881 -7.164 -5.033 1.00 10.00 C ATOM 742 O ARG A 47 -2.800 -6.381 -5.243 1.00 10.00 O ATOM 743 CB ARG A 47 0.218 -7.265 -6.487 1.00 10.00 C ATOM 744 CG ARG A 47 -0.177 -6.518 -7.757 1.00 10.00 C ATOM 745 CD ARG A 47 -1.624 -6.809 -8.166 1.00 10.00 C ATOM 746 NE ARG A 47 -1.778 -6.694 -9.619 1.00 10.00 N ATOM 747 CZ ARG A 47 -1.377 -7.633 -10.493 1.00 10.00 C ATOM 748 NH1 ARG A 47 -0.775 -8.748 -10.061 1.00 10.00 N ATOM 749 NH2 ARG A 47 -1.588 -7.438 -11.797 1.00 10.00 N ATOM 0 H ARG A 47 1.199 -7.721 -4.383 1.00 10.00 H new ATOM 0 HA ARG A 47 -0.449 -5.639 -5.256 1.00 10.00 H new ATOM 0 HB2 ARG A 47 1.302 -7.226 -6.381 1.00 10.00 H new ATOM 0 HB3 ARG A 47 -0.054 -8.315 -6.599 1.00 10.00 H new ATOM 0 HG2 ARG A 47 -0.053 -5.446 -7.601 1.00 10.00 H new ATOM 0 HG3 ARG A 47 0.493 -6.802 -8.568 1.00 10.00 H new ATOM 0 HD2 ARG A 47 -1.905 -7.811 -7.842 1.00 10.00 H new ATOM 0 HD3 ARG A 47 -2.297 -6.112 -7.666 1.00 10.00 H new ATOM 0 HE ARG A 47 -2.216 -5.850 -9.989 1.00 10.00 H new ATOM 0 HH11 ARG A 47 -0.618 -8.889 -9.063 1.00 10.00 H new ATOM 0 HH12 ARG A 47 -0.473 -9.457 -10.730 1.00 10.00 H new ATOM 0 HH21 ARG A 47 -2.048 -6.586 -12.117 1.00 10.00 H new ATOM 0 HH22 ARG A 47 -1.289 -8.141 -12.473 1.00 10.00 H new ATOM 763 N GLU A 48 -2.067 -8.411 -4.610 1.00 10.00 N ATOM 764 CA GLU A 48 -3.304 -9.038 -4.172 1.00 10.00 C ATOM 765 C GLU A 48 -4.089 -8.127 -3.217 1.00 10.00 C ATOM 766 O GLU A 48 -5.301 -7.974 -3.342 1.00 10.00 O ATOM 767 CB GLU A 48 -2.879 -10.356 -3.501 1.00 10.00 C ATOM 768 CG GLU A 48 -4.003 -11.152 -2.817 1.00 10.00 C ATOM 769 CD GLU A 48 -5.068 -11.668 -3.779 1.00 10.00 C ATOM 770 OE1 GLU A 48 -4.742 -11.824 -4.975 1.00 10.00 O ATOM 771 OE2 GLU A 48 -6.186 -11.928 -3.284 1.00 10.00 O ATOM 0 H GLU A 48 -1.285 -9.064 -4.562 1.00 10.00 H new ATOM 0 HA GLU A 48 -3.982 -9.223 -5.005 1.00 10.00 H new ATOM 0 HB2 GLU A 48 -2.416 -10.993 -4.255 1.00 10.00 H new ATOM 0 HB3 GLU A 48 -2.113 -10.133 -2.758 1.00 10.00 H new ATOM 0 HG2 GLU A 48 -3.565 -11.998 -2.287 1.00 10.00 H new ATOM 0 HG3 GLU A 48 -4.479 -10.519 -2.068 1.00 10.00 H new ATOM 778 N GLN A 49 -3.402 -7.545 -2.231 1.00 10.00 N ATOM 779 CA GLN A 49 -3.993 -6.624 -1.268 1.00 10.00 C ATOM 780 C GLN A 49 -4.084 -5.213 -1.853 1.00 10.00 C ATOM 781 O GLN A 49 -4.996 -4.456 -1.531 1.00 10.00 O ATOM 782 CB GLN A 49 -3.142 -6.607 0.006 1.00 10.00 C ATOM 783 CG GLN A 49 -2.892 -7.985 0.633 1.00 10.00 C ATOM 784 CD GLN A 49 -4.149 -8.603 1.234 1.00 10.00 C ATOM 785 OE1 GLN A 49 -4.296 -8.646 2.453 1.00 10.00 O ATOM 786 NE2 GLN A 49 -5.049 -9.116 0.401 1.00 10.00 N ATOM 0 H GLN A 49 -2.406 -7.705 -2.080 1.00 10.00 H new ATOM 0 HA GLN A 49 -5.002 -6.961 -1.031 1.00 10.00 H new ATOM 0 HB2 GLN A 49 -2.180 -6.148 -0.223 1.00 10.00 H new ATOM 0 HB3 GLN A 49 -3.631 -5.971 0.744 1.00 10.00 H new ATOM 0 HG2 GLN A 49 -2.491 -8.656 -0.127 1.00 10.00 H new ATOM 0 HG3 GLN A 49 -2.132 -7.892 1.409 1.00 10.00 H new ATOM 0 HE21 GLN A 49 -4.899 -9.065 -0.607 1.00 10.00 H new ATOM 0 HE22 GLN A 49 -5.890 -9.561 0.769 1.00 10.00 H new ATOM 795 N ALA A 50 -3.105 -4.849 -2.681 1.00 10.00 N ATOM 796 CA ALA A 50 -3.057 -3.585 -3.389 1.00 10.00 C ATOM 797 C ALA A 50 -4.298 -3.422 -4.266 1.00 10.00 C ATOM 798 O ALA A 50 -4.980 -4.386 -4.605 1.00 10.00 O ATOM 799 CB ALA A 50 -1.767 -3.471 -4.206 1.00 10.00 C ATOM 0 H ALA A 50 -2.303 -5.448 -2.878 1.00 10.00 H new ATOM 0 HA ALA A 50 -3.054 -2.773 -2.662 1.00 10.00 H new ATOM 0 HB1 ALA A 50 -1.751 -2.515 -4.729 1.00 10.00 H new ATOM 0 HB2 ALA A 50 -0.907 -3.534 -3.539 1.00 10.00 H new ATOM 0 HB3 ALA A 50 -1.723 -4.283 -4.932 1.00 10.00 H new ATOM 805 N GLY A 51 -4.630 -2.175 -4.585 1.00 10.00 N ATOM 806 CA GLY A 51 -5.988 -1.806 -4.938 1.00 10.00 C ATOM 807 C GLY A 51 -6.993 -2.425 -3.998 1.00 10.00 C ATOM 808 O GLY A 51 -8.027 -2.950 -4.404 1.00 10.00 O ATOM 0 H GLY A 51 -3.967 -1.400 -4.605 1.00 10.00 H new ATOM 0 HA2 GLY A 51 -6.088 -0.721 -4.916 1.00 10.00 H new ATOM 0 HA3 GLY A 51 -6.199 -2.125 -5.959 1.00 10.00 H new ATOM 812 N GLY A 52 -6.696 -2.268 -2.713 1.00 10.00 N ATOM 813 CA GLY A 52 -7.562 -2.693 -1.662 1.00 10.00 C ATOM 814 C GLY A 52 -6.863 -2.397 -0.349 1.00 10.00 C ATOM 815 O GLY A 52 -5.841 -1.709 -0.283 1.00 10.00 O ATOM 0 H GLY A 52 -5.832 -1.835 -2.386 1.00 10.00 H new ATOM 0 HA2 GLY A 52 -8.516 -2.169 -1.715 1.00 10.00 H new ATOM 0 HA3 GLY A 52 -7.778 -3.758 -1.750 1.00 10.00 H new ATOM 819 N ASP A 53 -7.479 -2.921 0.692 1.00 10.00 N ATOM 820 CA ASP A 53 -7.030 -2.825 2.069 1.00 10.00 C ATOM 821 C ASP A 53 -5.871 -3.783 2.331 1.00 10.00 C ATOM 822 O ASP A 53 -5.891 -4.926 1.879 1.00 10.00 O ATOM 823 CB ASP A 53 -8.190 -3.110 3.032 1.00 10.00 C ATOM 824 CG ASP A 53 -7.705 -3.139 4.477 1.00 10.00 C ATOM 825 OD1 ASP A 53 -6.889 -2.257 4.821 1.00 10.00 O ATOM 826 OD2 ASP A 53 -8.115 -4.054 5.216 1.00 10.00 O ATOM 0 H ASP A 53 -8.346 -3.450 0.598 1.00 10.00 H new ATOM 0 HA ASP A 53 -6.676 -1.809 2.242 1.00 10.00 H new ATOM 0 HB2 ASP A 53 -8.959 -2.346 2.918 1.00 10.00 H new ATOM 0 HB3 ASP A 53 -8.651 -4.065 2.780 1.00 10.00 H new ATOM 831 N ALA A 54 -4.881 -3.318 3.097 1.00 10.00 N ATOM 832 CA ALA A 54 -3.903 -4.195 3.728 1.00 10.00 C ATOM 833 C ALA A 54 -3.571 -3.758 5.158 1.00 10.00 C ATOM 834 O ALA A 54 -2.485 -4.067 5.651 1.00 10.00 O ATOM 835 CB ALA A 54 -2.647 -4.267 2.854 1.00 10.00 C ATOM 0 H ALA A 54 -4.739 -2.327 3.294 1.00 10.00 H new ATOM 0 HA ALA A 54 -4.337 -5.192 3.811 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -1.914 -4.922 3.324 1.00 10.00 H new ATOM 0 HB2 ALA A 54 -2.909 -4.661 1.872 1.00 10.00 H new ATOM 0 HB3 ALA A 54 -2.223 -3.269 2.743 1.00 10.00 H new ATOM 841 N THR A 55 -4.485 -3.048 5.830 1.00 10.00 N ATOM 842 CA THR A 55 -4.228 -2.442 7.129 1.00 10.00 C ATOM 843 C THR A 55 -3.773 -3.475 8.158 1.00 10.00 C ATOM 844 O THR A 55 -2.628 -3.441 8.615 1.00 10.00 O ATOM 845 CB THR A 55 -5.464 -1.657 7.615 1.00 10.00 C ATOM 846 OG1 THR A 55 -5.866 -0.698 6.659 1.00 10.00 O ATOM 847 CG2 THR A 55 -5.120 -0.911 8.903 1.00 10.00 C ATOM 0 H THR A 55 -5.428 -2.880 5.480 1.00 10.00 H new ATOM 0 HA THR A 55 -3.406 -1.736 7.012 1.00 10.00 H new ATOM 0 HB THR A 55 -6.270 -2.373 7.777 1.00 10.00 H new ATOM 0 HG1 THR A 55 -6.347 -1.144 5.931 1.00 10.00 H new ATOM 0 HG21 THR A 55 -5.993 -0.356 9.246 1.00 10.00 H new ATOM 0 HG22 THR A 55 -4.820 -1.626 9.669 1.00 10.00 H new ATOM 0 HG23 THR A 55 -4.301 -0.217 8.714 1.00 10.00 H new ATOM 855 N GLU A 56 -4.679 -4.384 8.532 1.00 10.00 N ATOM 856 CA GLU A 56 -4.407 -5.399 9.525 1.00 10.00 C ATOM 857 C GLU A 56 -3.199 -6.196 9.057 1.00 10.00 C ATOM 858 O GLU A 56 -2.216 -6.269 9.774 1.00 10.00 O ATOM 859 CB GLU A 56 -5.668 -6.255 9.715 1.00 10.00 C ATOM 860 CG GLU A 56 -5.543 -7.245 10.875 1.00 10.00 C ATOM 861 CD GLU A 56 -6.866 -7.966 11.103 1.00 10.00 C ATOM 862 OE1 GLU A 56 -7.243 -8.744 10.202 1.00 10.00 O ATOM 863 OE2 GLU A 56 -7.490 -7.693 12.149 1.00 10.00 O ATOM 0 H GLU A 56 -5.622 -4.427 8.146 1.00 10.00 H new ATOM 0 HA GLU A 56 -4.166 -4.974 10.500 1.00 10.00 H new ATOM 0 HB2 GLU A 56 -6.522 -5.601 9.892 1.00 10.00 H new ATOM 0 HB3 GLU A 56 -5.871 -6.804 8.795 1.00 10.00 H new ATOM 0 HG2 GLU A 56 -4.759 -7.971 10.659 1.00 10.00 H new ATOM 0 HG3 GLU A 56 -5.248 -6.717 11.782 1.00 10.00 H new ATOM 870 N ASN A 57 -3.240 -6.716 7.828 1.00 10.00 N ATOM 871 CA ASN A 57 -2.192 -7.566 7.272 1.00 10.00 C ATOM 872 C ASN A 57 -0.793 -6.958 7.465 1.00 10.00 C ATOM 873 O ASN A 57 0.126 -7.611 7.962 1.00 10.00 O ATOM 874 CB ASN A 57 -2.508 -7.834 5.792 1.00 10.00 C ATOM 875 CG ASN A 57 -1.802 -9.076 5.262 1.00 10.00 C ATOM 876 OD1 ASN A 57 -0.861 -9.576 5.863 1.00 10.00 O ATOM 877 ND2 ASN A 57 -2.257 -9.605 4.133 1.00 10.00 N ATOM 0 H ASN A 57 -4.015 -6.554 7.184 1.00 10.00 H new ATOM 0 HA ASN A 57 -2.176 -8.514 7.810 1.00 10.00 H new ATOM 0 HB2 ASN A 57 -3.585 -7.951 5.669 1.00 10.00 H new ATOM 0 HB3 ASN A 57 -2.211 -6.970 5.198 1.00 10.00 H new ATOM 0 HD21 ASN A 57 -1.821 -10.444 3.751 1.00 10.00 H new ATOM 0 HD22 ASN A 57 -3.043 -9.172 3.647 1.00 10.00 H new ATOM 884 N PHE A 58 -0.633 -5.679 7.105 1.00 10.00 N ATOM 885 CA PHE A 58 0.624 -4.970 7.296 1.00 10.00 C ATOM 886 C PHE A 58 1.059 -4.985 8.764 1.00 10.00 C ATOM 887 O PHE A 58 2.165 -5.425 9.085 1.00 10.00 O ATOM 888 CB PHE A 58 0.493 -3.525 6.800 1.00 10.00 C ATOM 889 CG PHE A 58 1.746 -2.695 7.011 1.00 10.00 C ATOM 890 CD1 PHE A 58 2.940 -3.062 6.367 1.00 10.00 C ATOM 891 CD2 PHE A 58 1.750 -1.617 7.915 1.00 10.00 C ATOM 892 CE1 PHE A 58 4.111 -2.308 6.558 1.00 10.00 C ATOM 893 CE2 PHE A 58 2.922 -0.866 8.113 1.00 10.00 C ATOM 894 CZ PHE A 58 4.099 -1.201 7.421 1.00 10.00 C ATOM 0 H PHE A 58 -1.368 -5.116 6.677 1.00 10.00 H new ATOM 0 HA PHE A 58 1.390 -5.483 6.715 1.00 10.00 H new ATOM 0 HB2 PHE A 58 0.248 -3.535 5.738 1.00 10.00 H new ATOM 0 HB3 PHE A 58 -0.340 -3.047 7.315 1.00 10.00 H new ATOM 0 HD1 PHE A 58 2.958 -3.928 5.722 1.00 10.00 H new ATOM 0 HD2 PHE A 58 0.851 -1.366 8.458 1.00 10.00 H new ATOM 0 HE1 PHE A 58 5.019 -2.580 6.041 1.00 10.00 H new ATOM 0 HE2 PHE A 58 2.918 -0.031 8.798 1.00 10.00 H new ATOM 0 HZ PHE A 58 4.992 -0.608 7.553 1.00 10.00 H new ATOM 904 N GLU A 59 0.209 -4.463 9.649 1.00 10.00 N ATOM 905 CA GLU A 59 0.571 -4.250 11.042 1.00 10.00 C ATOM 906 C GLU A 59 0.861 -5.578 11.748 1.00 10.00 C ATOM 907 O GLU A 59 1.901 -5.726 12.404 1.00 10.00 O ATOM 908 CB GLU A 59 -0.555 -3.468 11.729 1.00 10.00 C ATOM 909 CG GLU A 59 -0.467 -1.968 11.406 1.00 10.00 C ATOM 910 CD GLU A 59 0.776 -1.335 12.014 1.00 10.00 C ATOM 911 OE1 GLU A 59 0.913 -1.439 13.251 1.00 10.00 O ATOM 912 OE2 GLU A 59 1.677 -0.901 11.266 1.00 10.00 O ATOM 0 H GLU A 59 -0.743 -4.179 9.418 1.00 10.00 H new ATOM 0 HA GLU A 59 1.490 -3.667 11.098 1.00 10.00 H new ATOM 0 HB2 GLU A 59 -1.521 -3.856 11.406 1.00 10.00 H new ATOM 0 HB3 GLU A 59 -0.498 -3.614 12.808 1.00 10.00 H new ATOM 0 HG2 GLU A 59 -0.455 -1.828 10.325 1.00 10.00 H new ATOM 0 HG3 GLU A 59 -1.355 -1.461 11.783 1.00 10.00 H new ATOM 919 N ASP A 60 -0.083 -6.509 11.590 1.00 10.00 N ATOM 920 CA ASP A 60 -0.078 -7.912 11.977 1.00 10.00 C ATOM 921 C ASP A 60 1.301 -8.532 11.775 1.00 10.00 C ATOM 922 O ASP A 60 1.901 -9.049 12.715 1.00 10.00 O ATOM 923 CB ASP A 60 -1.117 -8.649 11.118 1.00 10.00 C ATOM 924 CG ASP A 60 -0.998 -10.155 11.287 1.00 10.00 C ATOM 925 OD1 ASP A 60 -1.574 -10.674 12.264 1.00 10.00 O ATOM 926 OD2 ASP A 60 -0.296 -10.751 10.438 1.00 10.00 O ATOM 0 H ASP A 60 -0.964 -6.265 11.137 1.00 10.00 H new ATOM 0 HA ASP A 60 -0.326 -7.998 13.035 1.00 10.00 H new ATOM 0 HB2 ASP A 60 -2.120 -8.327 11.398 1.00 10.00 H new ATOM 0 HB3 ASP A 60 -0.979 -8.386 10.069 1.00 10.00 H new ATOM 931 N HIS A 61 1.821 -8.432 10.549 1.00 10.00 N ATOM 932 CA HIS A 61 3.099 -9.025 10.174 1.00 10.00 C ATOM 933 C HIS A 61 4.302 -8.455 10.940 1.00 10.00 C ATOM 934 O HIS A 61 5.415 -8.941 10.755 1.00 10.00 O ATOM 935 CB HIS A 61 3.273 -8.909 8.658 1.00 10.00 C ATOM 936 CG HIS A 61 2.455 -9.909 7.878 1.00 10.00 C ATOM 937 ND1 HIS A 61 1.293 -10.538 8.274 1.00 10.00 N ATOM 938 CD2 HIS A 61 2.821 -10.448 6.678 1.00 10.00 C ATOM 939 CE1 HIS A 61 0.971 -11.423 7.314 1.00 10.00 C ATOM 940 NE2 HIS A 61 1.877 -11.412 6.320 1.00 10.00 N ATOM 0 H HIS A 61 1.361 -7.934 9.787 1.00 10.00 H new ATOM 0 HA HIS A 61 3.074 -10.076 10.463 1.00 10.00 H new ATOM 0 HB2 HIS A 61 2.996 -7.902 8.345 1.00 10.00 H new ATOM 0 HB3 HIS A 61 4.326 -9.041 8.410 1.00 10.00 H new ATOM 0 HD1 HIS A 61 0.774 -10.364 9.135 1.00 10.00 H new ATOM 0 HD2 HIS A 61 3.693 -10.175 6.103 1.00 10.00 H new ATOM 0 HE1 HIS A 61 0.099 -12.059 7.338 1.00 10.00 H new ATOM 948 N GLY A 62 4.118 -7.458 11.813 1.00 10.00 N ATOM 949 CA GLY A 62 5.164 -7.059 12.743 1.00 10.00 C ATOM 950 C GLY A 62 6.336 -6.397 12.024 1.00 10.00 C ATOM 951 O GLY A 62 7.483 -6.530 12.445 1.00 10.00 O ATOM 0 H GLY A 62 3.256 -6.919 11.890 1.00 10.00 H new ATOM 0 HA2 GLY A 62 4.752 -6.369 13.480 1.00 10.00 H new ATOM 0 HA3 GLY A 62 5.519 -7.933 13.289 1.00 10.00 H new ATOM 955 N HIS A 63 6.027 -5.650 10.963 1.00 10.00 N ATOM 956 CA HIS A 63 6.993 -4.925 10.154 1.00 10.00 C ATOM 957 C HIS A 63 7.897 -4.031 11.010 1.00 10.00 C ATOM 958 O HIS A 63 7.431 -3.438 11.986 1.00 10.00 O ATOM 959 CB HIS A 63 6.212 -4.102 9.128 1.00 10.00 C ATOM 960 CG HIS A 63 5.782 -4.926 7.947 1.00 10.00 C ATOM 961 ND1 HIS A 63 4.613 -5.635 7.799 1.00 10.00 N ATOM 962 CD2 HIS A 63 6.492 -5.052 6.789 1.00 10.00 C ATOM 963 CE1 HIS A 63 4.618 -6.161 6.560 1.00 10.00 C ATOM 964 NE2 HIS A 63 5.737 -5.814 5.895 1.00 10.00 N ATOM 0 H HIS A 63 5.067 -5.533 10.638 1.00 10.00 H new ATOM 0 HA HIS A 63 7.655 -5.630 9.651 1.00 10.00 H new ATOM 0 HB2 HIS A 63 5.333 -3.669 9.606 1.00 10.00 H new ATOM 0 HB3 HIS A 63 6.830 -3.272 8.784 1.00 10.00 H new ATOM 0 HD1 HIS A 63 3.878 -5.742 8.498 1.00 10.00 H new ATOM 0 HD2 HIS A 63 7.469 -4.634 6.597 1.00 10.00 H new ATOM 0 HE1 HIS A 63 3.831 -6.778 6.154 1.00 10.00 H new ATOM 972 N SER A 64 9.181 -3.917 10.663 1.00 10.00 N ATOM 973 CA SER A 64 10.104 -3.102 11.439 1.00 10.00 C ATOM 974 C SER A 64 9.672 -1.639 11.415 1.00 10.00 C ATOM 975 O SER A 64 8.942 -1.194 10.526 1.00 10.00 O ATOM 976 CB SER A 64 11.554 -3.239 10.954 1.00 10.00 C ATOM 977 OG SER A 64 12.403 -2.571 11.877 1.00 10.00 O ATOM 0 H SER A 64 9.598 -4.377 9.854 1.00 10.00 H new ATOM 0 HA SER A 64 10.072 -3.469 12.465 1.00 10.00 H new ATOM 0 HB2 SER A 64 11.830 -4.291 10.878 1.00 10.00 H new ATOM 0 HB3 SER A 64 11.663 -2.808 9.959 1.00 10.00 H new ATOM 0 HG SER A 64 12.819 -1.800 11.439 1.00 10.00 H new ATOM 983 N THR A 65 10.166 -0.881 12.393 1.00 10.00 N ATOM 984 CA THR A 65 9.966 0.555 12.467 1.00 10.00 C ATOM 985 C THR A 65 10.303 1.175 11.114 1.00 10.00 C ATOM 986 O THR A 65 9.448 1.823 10.537 1.00 10.00 O ATOM 987 CB THR A 65 10.805 1.148 13.608 1.00 10.00 C ATOM 988 OG1 THR A 65 12.185 0.873 13.453 1.00 10.00 O ATOM 989 CG2 THR A 65 10.346 0.608 14.967 1.00 10.00 C ATOM 0 H THR A 65 10.722 -1.256 13.162 1.00 10.00 H new ATOM 0 HA THR A 65 8.924 0.781 12.691 1.00 10.00 H new ATOM 0 HB THR A 65 10.656 2.227 13.569 1.00 10.00 H new ATOM 0 HG1 THR A 65 12.683 1.269 14.198 1.00 10.00 H new ATOM 0 HG21 THR A 65 10.957 1.044 15.757 1.00 10.00 H new ATOM 0 HG22 THR A 65 9.301 0.872 15.129 1.00 10.00 H new ATOM 0 HG23 THR A 65 10.453 -0.477 14.983 1.00 10.00 H new ATOM 997 N ASP A 66 11.487 0.915 10.560 1.00 10.00 N ATOM 998 CA ASP A 66 11.925 1.361 9.242 1.00 10.00 C ATOM 999 C ASP A 66 10.839 1.178 8.176 1.00 10.00 C ATOM 1000 O ASP A 66 10.562 2.097 7.414 1.00 10.00 O ATOM 1001 CB ASP A 66 13.185 0.567 8.828 1.00 10.00 C ATOM 1002 CG ASP A 66 14.143 0.254 9.972 1.00 10.00 C ATOM 1003 OD1 ASP A 66 13.695 -0.496 10.876 1.00 10.00 O ATOM 1004 OD2 ASP A 66 15.281 0.765 9.933 1.00 10.00 O ATOM 0 H ASP A 66 12.197 0.363 11.041 1.00 10.00 H new ATOM 0 HA ASP A 66 12.145 2.426 9.310 1.00 10.00 H new ATOM 0 HB2 ASP A 66 12.873 -0.370 8.367 1.00 10.00 H new ATOM 0 HB3 ASP A 66 13.722 1.134 8.067 1.00 10.00 H new ATOM 1009 N ALA A 67 10.214 -0.002 8.109 1.00 10.00 N ATOM 1010 CA ALA A 67 9.150 -0.300 7.162 1.00 10.00 C ATOM 1011 C ALA A 67 7.912 0.549 7.481 1.00 10.00 C ATOM 1012 O ALA A 67 7.238 1.062 6.589 1.00 10.00 O ATOM 1013 CB ALA A 67 8.827 -1.794 7.209 1.00 10.00 C ATOM 0 H ALA A 67 10.441 -0.784 8.723 1.00 10.00 H new ATOM 0 HA ALA A 67 9.476 -0.051 6.152 1.00 10.00 H new ATOM 0 HB1 ALA A 67 8.030 -2.016 6.499 1.00 10.00 H new ATOM 0 HB2 ALA A 67 9.716 -2.367 6.947 1.00 10.00 H new ATOM 0 HB3 ALA A 67 8.504 -2.065 8.214 1.00 10.00 H new ATOM 1019 N ARG A 68 7.617 0.693 8.771 1.00 10.00 N ATOM 1020 CA ARG A 68 6.566 1.541 9.313 1.00 10.00 C ATOM 1021 C ARG A 68 6.800 3.028 8.948 1.00 10.00 C ATOM 1022 O ARG A 68 5.998 3.598 8.211 1.00 10.00 O ATOM 1023 CB ARG A 68 6.402 1.190 10.812 1.00 10.00 C ATOM 1024 CG ARG A 68 5.233 0.203 10.998 1.00 10.00 C ATOM 1025 CD ARG A 68 5.267 -0.607 12.303 1.00 10.00 C ATOM 1026 NE ARG A 68 4.066 -1.469 12.438 1.00 10.00 N ATOM 1027 CZ ARG A 68 4.002 -2.711 12.960 1.00 10.00 C ATOM 1028 NH1 ARG A 68 5.102 -3.424 13.202 1.00 10.00 N ATOM 1029 NH2 ARG A 68 2.829 -3.265 13.268 1.00 10.00 N ATOM 0 H ARG A 68 8.131 0.196 9.499 1.00 10.00 H new ATOM 0 HA ARG A 68 5.594 1.350 8.857 1.00 10.00 H new ATOM 0 HB2 ARG A 68 7.324 0.751 11.194 1.00 10.00 H new ATOM 0 HB3 ARG A 68 6.218 2.097 11.388 1.00 10.00 H new ATOM 0 HG2 ARG A 68 4.297 0.760 10.959 1.00 10.00 H new ATOM 0 HG3 ARG A 68 5.226 -0.491 10.158 1.00 10.00 H new ATOM 0 HD2 ARG A 68 6.165 -1.225 12.326 1.00 10.00 H new ATOM 0 HD3 ARG A 68 5.326 0.073 13.153 1.00 10.00 H new ATOM 0 HE ARG A 68 3.188 -1.077 12.097 1.00 10.00 H new ATOM 0 HH11 ARG A 68 6.020 -3.032 12.992 1.00 10.00 H new ATOM 0 HH12 ARG A 68 5.026 -4.361 13.597 1.00 10.00 H new ATOM 0 HH21 ARG A 68 1.964 -2.749 13.109 1.00 10.00 H new ATOM 0 HH22 ARG A 68 2.797 -4.205 13.662 1.00 10.00 H new ATOM 1043 N GLU A 69 7.896 3.662 9.376 1.00 10.00 N ATOM 1044 CA GLU A 69 8.444 4.901 8.834 1.00 10.00 C ATOM 1045 C GLU A 69 8.236 5.007 7.316 1.00 10.00 C ATOM 1046 O GLU A 69 7.610 5.952 6.828 1.00 10.00 O ATOM 1047 CB GLU A 69 9.939 4.955 9.207 1.00 10.00 C ATOM 1048 CG GLU A 69 10.228 5.016 10.716 1.00 10.00 C ATOM 1049 CD GLU A 69 9.312 5.947 11.490 1.00 10.00 C ATOM 1050 OE1 GLU A 69 9.145 7.117 11.077 1.00 10.00 O ATOM 1051 OE2 GLU A 69 8.669 5.485 12.460 1.00 10.00 O ATOM 0 H GLU A 69 8.452 3.302 10.152 1.00 10.00 H new ATOM 0 HA GLU A 69 7.919 5.754 9.263 1.00 10.00 H new ATOM 0 HB2 GLU A 69 10.434 4.077 8.792 1.00 10.00 H new ATOM 0 HB3 GLU A 69 10.386 5.828 8.731 1.00 10.00 H new ATOM 0 HG2 GLU A 69 10.142 4.012 11.132 1.00 10.00 H new ATOM 0 HG3 GLU A 69 11.260 5.335 10.864 1.00 10.00 H new ATOM 1058 N LEU A 70 8.726 4.018 6.566 1.00 10.00 N ATOM 1059 CA LEU A 70 8.545 3.970 5.120 1.00 10.00 C ATOM 1060 C LEU A 70 7.071 4.149 4.737 1.00 10.00 C ATOM 1061 O LEU A 70 6.735 4.967 3.884 1.00 10.00 O ATOM 1062 CB LEU A 70 9.112 2.670 4.510 1.00 10.00 C ATOM 1063 CG LEU A 70 10.391 2.816 3.667 1.00 10.00 C ATOM 1064 CD1 LEU A 70 10.423 4.090 2.814 1.00 10.00 C ATOM 1065 CD2 LEU A 70 11.640 2.741 4.547 1.00 10.00 C ATOM 0 H LEU A 70 9.256 3.233 6.945 1.00 10.00 H new ATOM 0 HA LEU A 70 9.110 4.803 4.703 1.00 10.00 H new ATOM 0 HB2 LEU A 70 9.315 1.971 5.321 1.00 10.00 H new ATOM 0 HB3 LEU A 70 8.340 2.219 3.886 1.00 10.00 H new ATOM 0 HG LEU A 70 10.383 1.975 2.973 1.00 10.00 H new ATOM 0 HD11 LEU A 70 11.353 4.125 2.247 1.00 10.00 H new ATOM 0 HD12 LEU A 70 9.578 4.088 2.125 1.00 10.00 H new ATOM 0 HD13 LEU A 70 10.360 4.964 3.463 1.00 10.00 H new ATOM 0 HD21 LEU A 70 12.530 2.847 3.926 1.00 10.00 H new ATOM 0 HD22 LEU A 70 11.614 3.543 5.284 1.00 10.00 H new ATOM 0 HD23 LEU A 70 11.667 1.779 5.059 1.00 10.00 H new ATOM 1077 N SER A 71 6.172 3.415 5.395 1.00 10.00 N ATOM 1078 CA SER A 71 4.750 3.506 5.110 1.00 10.00 C ATOM 1079 C SER A 71 4.257 4.943 5.283 1.00 10.00 C ATOM 1080 O SER A 71 3.461 5.415 4.476 1.00 10.00 O ATOM 1081 CB SER A 71 3.966 2.443 5.904 1.00 10.00 C ATOM 1082 OG SER A 71 3.589 2.885 7.190 1.00 10.00 O ATOM 0 H SER A 71 6.411 2.750 6.131 1.00 10.00 H new ATOM 0 HA SER A 71 4.563 3.268 4.063 1.00 10.00 H new ATOM 0 HB2 SER A 71 3.073 2.165 5.345 1.00 10.00 H new ATOM 0 HB3 SER A 71 4.576 1.544 5.998 1.00 10.00 H new ATOM 0 HG SER A 71 4.386 3.163 7.687 1.00 10.00 H new ATOM 1088 N LYS A 72 4.786 5.672 6.270 1.00 10.00 N ATOM 1089 CA LYS A 72 4.425 7.076 6.440 1.00 10.00 C ATOM 1090 C LYS A 72 4.747 7.841 5.164 1.00 10.00 C ATOM 1091 O LYS A 72 3.877 8.474 4.577 1.00 10.00 O ATOM 1092 CB LYS A 72 5.142 7.728 7.629 1.00 10.00 C ATOM 1093 CG LYS A 72 5.063 6.870 8.889 1.00 10.00 C ATOM 1094 CD LYS A 72 5.716 7.615 10.060 1.00 10.00 C ATOM 1095 CE LYS A 72 5.851 6.701 11.286 1.00 10.00 C ATOM 1096 NZ LYS A 72 6.835 7.234 12.246 1.00 10.00 N ATOM 0 H LYS A 72 5.456 5.317 6.953 1.00 10.00 H new ATOM 0 HA LYS A 72 3.356 7.116 6.647 1.00 10.00 H new ATOM 0 HB2 LYS A 72 6.188 7.898 7.372 1.00 10.00 H new ATOM 0 HB3 LYS A 72 4.699 8.704 7.827 1.00 10.00 H new ATOM 0 HG2 LYS A 72 4.023 6.644 9.123 1.00 10.00 H new ATOM 0 HG3 LYS A 72 5.566 5.917 8.725 1.00 10.00 H new ATOM 0 HD2 LYS A 72 6.700 7.977 9.762 1.00 10.00 H new ATOM 0 HD3 LYS A 72 5.119 8.490 10.318 1.00 10.00 H new ATOM 0 HE2 LYS A 72 4.882 6.599 11.774 1.00 10.00 H new ATOM 0 HE3 LYS A 72 6.154 5.704 10.967 1.00 10.00 H new ATOM 0 HZ1 LYS A 72 7.233 6.453 12.806 1.00 10.00 H new ATOM 0 HZ2 LYS A 72 7.599 7.714 11.729 1.00 10.00 H new ATOM 0 HZ3 LYS A 72 6.368 7.912 12.881 1.00 10.00 H new ATOM 1110 N THR A 73 6.002 7.770 4.723 1.00 10.00 N ATOM 1111 CA THR A 73 6.408 8.515 3.531 1.00 10.00 C ATOM 1112 C THR A 73 5.679 8.012 2.273 1.00 10.00 C ATOM 1113 O THR A 73 5.490 8.776 1.329 1.00 10.00 O ATOM 1114 CB THR A 73 7.940 8.622 3.399 1.00 10.00 C ATOM 1115 OG1 THR A 73 8.295 9.659 2.508 1.00 10.00 O ATOM 1116 CG2 THR A 73 8.629 7.350 2.916 1.00 10.00 C ATOM 0 H THR A 73 6.740 7.218 5.160 1.00 10.00 H new ATOM 0 HA THR A 73 6.081 9.548 3.650 1.00 10.00 H new ATOM 0 HB THR A 73 8.283 8.821 4.414 1.00 10.00 H new ATOM 0 HG1 THR A 73 9.271 9.711 2.439 1.00 10.00 H new ATOM 0 HG21 THR A 73 9.704 7.520 2.854 1.00 10.00 H new ATOM 0 HG22 THR A 73 8.430 6.540 3.617 1.00 10.00 H new ATOM 0 HG23 THR A 73 8.247 7.080 1.932 1.00 10.00 H new ATOM 1124 N PHE A 74 5.224 6.754 2.263 1.00 10.00 N ATOM 1125 CA PHE A 74 4.429 6.217 1.164 1.00 10.00 C ATOM 1126 C PHE A 74 3.001 6.759 1.148 1.00 10.00 C ATOM 1127 O PHE A 74 2.307 6.554 0.151 1.00 10.00 O ATOM 1128 CB PHE A 74 4.370 4.691 1.236 1.00 10.00 C ATOM 1129 CG PHE A 74 5.681 3.934 1.177 1.00 10.00 C ATOM 1130 CD1 PHE A 74 6.822 4.473 0.548 1.00 10.00 C ATOM 1131 CD2 PHE A 74 5.686 2.590 1.583 1.00 10.00 C ATOM 1132 CE1 PHE A 74 7.970 3.681 0.379 1.00 10.00 C ATOM 1133 CE2 PHE A 74 6.790 1.774 1.307 1.00 10.00 C ATOM 1134 CZ PHE A 74 7.966 2.342 0.803 1.00 10.00 C ATOM 0 H PHE A 74 5.398 6.086 3.014 1.00 10.00 H new ATOM 0 HA PHE A 74 4.926 6.536 0.248 1.00 10.00 H new ATOM 0 HB2 PHE A 74 3.866 4.418 2.163 1.00 10.00 H new ATOM 0 HB3 PHE A 74 3.743 4.340 0.417 1.00 10.00 H new ATOM 0 HD1 PHE A 74 6.813 5.494 0.196 1.00 10.00 H new ATOM 0 HD2 PHE A 74 4.835 2.184 2.110 1.00 10.00 H new ATOM 0 HE1 PHE A 74 8.855 4.101 -0.076 1.00 10.00 H new ATOM 0 HE2 PHE A 74 6.734 0.710 1.482 1.00 10.00 H new ATOM 0 HZ PHE A 74 8.868 1.752 0.740 1.00 10.00 H new ATOM 1144 N ILE A 75 2.529 7.384 2.233 1.00 10.00 N ATOM 1145 CA ILE A 75 1.196 7.992 2.231 1.00 10.00 C ATOM 1146 C ILE A 75 1.066 9.019 1.105 1.00 10.00 C ATOM 1147 O ILE A 75 1.883 9.929 0.986 1.00 10.00 O ATOM 1148 CB ILE A 75 0.816 8.599 3.594 1.00 10.00 C ATOM 1149 CG1 ILE A 75 0.532 7.438 4.544 1.00 10.00 C ATOM 1150 CG2 ILE A 75 -0.435 9.491 3.514 1.00 10.00 C ATOM 1151 CD1 ILE A 75 0.605 7.841 6.020 1.00 10.00 C ATOM 0 H ILE A 75 3.041 7.481 3.110 1.00 10.00 H new ATOM 0 HA ILE A 75 0.483 7.189 2.045 1.00 10.00 H new ATOM 0 HB ILE A 75 1.638 9.227 3.938 1.00 10.00 H new ATOM 0 HG12 ILE A 75 -0.459 7.036 4.331 1.00 10.00 H new ATOM 0 HG13 ILE A 75 1.248 6.638 4.356 1.00 10.00 H new ATOM 0 HG21 ILE A 75 -0.659 9.893 4.502 1.00 10.00 H new ATOM 0 HG22 ILE A 75 -0.253 10.312 2.821 1.00 10.00 H new ATOM 0 HG23 ILE A 75 -1.281 8.900 3.163 1.00 10.00 H new ATOM 0 HD11 ILE A 75 0.394 6.973 6.645 1.00 10.00 H new ATOM 0 HD12 ILE A 75 1.603 8.217 6.246 1.00 10.00 H new ATOM 0 HD13 ILE A 75 -0.130 8.620 6.221 1.00 10.00 H new ATOM 1163 N ILE A 76 0.005 8.878 0.309 1.00 10.00 N ATOM 1164 CA ILE A 76 -0.284 9.726 -0.842 1.00 10.00 C ATOM 1165 C ILE A 76 -1.692 10.332 -0.782 1.00 10.00 C ATOM 1166 O ILE A 76 -2.011 11.194 -1.599 1.00 10.00 O ATOM 1167 CB ILE A 76 -0.131 8.895 -2.131 1.00 10.00 C ATOM 1168 CG1 ILE A 76 -0.831 7.532 -1.969 1.00 10.00 C ATOM 1169 CG2 ILE A 76 1.350 8.719 -2.492 1.00 10.00 C ATOM 1170 CD1 ILE A 76 -1.275 6.903 -3.286 1.00 10.00 C ATOM 0 H ILE A 76 -0.695 8.150 0.454 1.00 10.00 H new ATOM 0 HA ILE A 76 0.424 10.554 -0.833 1.00 10.00 H new ATOM 0 HB ILE A 76 -0.609 9.430 -2.952 1.00 10.00 H new ATOM 0 HG12 ILE A 76 -0.154 6.846 -1.460 1.00 10.00 H new ATOM 0 HG13 ILE A 76 -1.702 7.656 -1.326 1.00 10.00 H new ATOM 0 HG21 ILE A 76 1.434 8.129 -3.405 1.00 10.00 H new ATOM 0 HG22 ILE A 76 1.805 9.697 -2.648 1.00 10.00 H new ATOM 0 HG23 ILE A 76 1.864 8.205 -1.680 1.00 10.00 H new ATOM 0 HD11 ILE A 76 -1.759 5.947 -3.088 1.00 10.00 H new ATOM 0 HD12 ILE A 76 -1.978 7.568 -3.788 1.00 10.00 H new ATOM 0 HD13 ILE A 76 -0.406 6.744 -3.925 1.00 10.00 H new ATOM 1182 N GLY A 77 -2.564 9.852 0.111 1.00 10.00 N ATOM 1183 CA GLY A 77 -4.008 10.020 -0.069 1.00 10.00 C ATOM 1184 C GLY A 77 -4.745 9.341 1.063 1.00 10.00 C ATOM 1185 O GLY A 77 -4.101 8.823 1.976 1.00 10.00 O ATOM 0 H GLY A 77 -2.298 9.349 0.957 1.00 10.00 H new ATOM 0 HA2 GLY A 77 -4.260 11.080 -0.096 1.00 10.00 H new ATOM 0 HA3 GLY A 77 -4.317 9.595 -1.024 1.00 10.00 H new ATOM 1189 N GLU A 78 -6.076 9.298 0.958 1.00 10.00 N ATOM 1190 CA GLU A 78 -6.911 8.470 1.802 1.00 10.00 C ATOM 1191 C GLU A 78 -8.098 7.955 1.005 1.00 10.00 C ATOM 1192 O GLU A 78 -8.567 8.629 0.084 1.00 10.00 O ATOM 1193 CB GLU A 78 -7.445 9.246 3.013 1.00 10.00 C ATOM 1194 CG GLU A 78 -6.339 10.028 3.752 1.00 10.00 C ATOM 1195 CD GLU A 78 -6.778 10.619 5.085 1.00 10.00 C ATOM 1196 OE1 GLU A 78 -7.880 10.254 5.546 1.00 10.00 O ATOM 1197 OE2 GLU A 78 -6.009 11.449 5.611 1.00 10.00 O ATOM 0 H GLU A 78 -6.600 9.846 0.275 1.00 10.00 H new ATOM 0 HA GLU A 78 -6.294 7.645 2.157 1.00 10.00 H new ATOM 0 HB2 GLU A 78 -8.217 9.941 2.683 1.00 10.00 H new ATOM 0 HB3 GLU A 78 -7.918 8.550 3.706 1.00 10.00 H new ATOM 0 HG2 GLU A 78 -5.492 9.364 3.923 1.00 10.00 H new ATOM 0 HG3 GLU A 78 -5.987 10.834 3.108 1.00 10.00 H new ATOM 1204 N LEU A 79 -8.557 6.778 1.422 1.00 10.00 N ATOM 1205 CA LEU A 79 -9.738 6.071 0.977 1.00 10.00 C ATOM 1206 C LEU A 79 -10.938 6.958 1.245 1.00 10.00 C ATOM 1207 O LEU A 79 -11.154 7.387 2.378 1.00 10.00 O ATOM 1208 CB LEU A 79 -9.809 4.757 1.768 1.00 10.00 C ATOM 1209 CG LEU A 79 -10.812 3.687 1.301 1.00 10.00 C ATOM 1210 CD1 LEU A 79 -11.644 3.206 2.489 1.00 10.00 C ATOM 1211 CD2 LEU A 79 -11.813 4.083 0.223 1.00 10.00 C ATOM 0 H LEU A 79 -8.062 6.255 2.144 1.00 10.00 H new ATOM 0 HA LEU A 79 -9.715 5.839 -0.088 1.00 10.00 H new ATOM 0 HB2 LEU A 79 -8.815 4.309 1.762 1.00 10.00 H new ATOM 0 HB3 LEU A 79 -10.041 5.003 2.804 1.00 10.00 H new ATOM 0 HG LEU A 79 -10.163 2.931 0.860 1.00 10.00 H new ATOM 0 HD11 LEU A 79 -12.353 2.449 2.154 1.00 10.00 H new ATOM 0 HD12 LEU A 79 -10.986 2.778 3.245 1.00 10.00 H new ATOM 0 HD13 LEU A 79 -12.188 4.048 2.917 1.00 10.00 H new ATOM 0 HD21 LEU A 79 -12.455 3.233 -0.007 1.00 10.00 H new ATOM 0 HD22 LEU A 79 -12.423 4.913 0.580 1.00 10.00 H new ATOM 0 HD23 LEU A 79 -11.278 4.387 -0.676 1.00 10.00 H new ATOM 1223 N HIS A 80 -11.680 7.278 0.187 1.00 10.00 N ATOM 1224 CA HIS A 80 -12.742 8.246 0.293 1.00 10.00 C ATOM 1225 C HIS A 80 -13.797 7.856 1.337 1.00 10.00 C ATOM 1226 O HIS A 80 -13.974 6.670 1.617 1.00 10.00 O ATOM 1227 CB HIS A 80 -13.307 8.530 -1.093 1.00 10.00 C ATOM 1228 CG HIS A 80 -14.105 9.791 -1.169 1.00 10.00 C ATOM 1229 ND1 HIS A 80 -15.456 9.922 -1.393 1.00 10.00 N ATOM 1230 CD2 HIS A 80 -13.591 11.026 -0.906 1.00 10.00 C ATOM 1231 CE1 HIS A 80 -15.748 11.228 -1.247 1.00 10.00 C ATOM 1232 NE2 HIS A 80 -14.647 11.938 -0.942 1.00 10.00 N ATOM 0 H HIS A 80 -11.558 6.878 -0.743 1.00 10.00 H new ATOM 0 HA HIS A 80 -12.335 9.182 0.676 1.00 10.00 H new ATOM 0 HB2 HIS A 80 -12.485 8.587 -1.806 1.00 10.00 H new ATOM 0 HB3 HIS A 80 -13.936 7.693 -1.398 1.00 10.00 H new ATOM 0 HD2 HIS A 80 -12.555 11.257 -0.706 1.00 10.00 H new ATOM 0 HE1 HIS A 80 -16.736 11.650 -1.360 1.00 10.00 H new ATOM 0 HE2 HIS A 80 -14.594 12.942 -0.771 1.00 10.00 H new