USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 875 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 56 THR OG1 : rot 80:sc= -0.443 USER MOD Set 1.2: A 69 HIS : no HD1:sc= -0.6 X(o=-1,f=-0.99) USER MOD Set 2.1: A 44 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 61 GLN : amide:sc= -0.0683 K(o=-0.068,f=-3.1!) USER MOD Single : A 8 CYS SG : rot 12:sc= 0 USER MOD Single : A 9 ASN : amide:sc=-0.00438 X(o=-0.0044,f=0) USER MOD Single : A 14 ASN :FLIP amide:sc= -9.33! C(o=-11!,f=-9.3!) USER MOD Single : A 15 SER OG : rot 23:sc= 0.122 USER MOD Single : A 18 MET CE :methyl -157:sc= -0.377 (180deg=-1.25) USER MOD Single : A 20 SER OG : rot 81:sc= 0.124 USER MOD Single : A 22 THR OG1 : rot 5:sc= 1 USER MOD Single : A 25 GLN : amide:sc= -0.0621 X(o=-0.062,f=-0.49) USER MOD Single : A 28 SER OG : rot -18:sc= 0.814 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 89:sc= 0.555 USER MOD Single : A 40 THR OG1 : rot -28:sc= 1.27 USER MOD Single : A 42 THR OG1 : rot 37:sc= 0.0641 USER MOD Single : A 47 HIS : no HE2:sc= -3.3! C(o=-3.3!,f=-6.8!) USER MOD Single : A 49 LYS NZ :NH3+ 172:sc= -0.682 (180deg=-0.788) USER MOD Single : A 51 SER OG : rot 102:sc= 1.29 USER MOD Single : A 53 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.66) USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.463 USER MOD Single : A 60 ASN : amide:sc=-0.00875 X(o=-0.0088,f=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.573 X(o=-0.57,f=-0.36) USER MOD Single : A 74 THR OG1 : rot -63:sc= 1.02 USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.667 USER MOD Single : A 78 CYS SG : rot 70:sc= -1.51 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= -4.18 K(o=-4.2,f=-8!) USER MOD Single : A 114 CYS SG : rot -90:sc= 0 USER MOD Single : A 115 HIS : no HD1:sc= -2.14 X(o=-2.1,f=-2.6!) USER MOD Single : A 124 GLN : amide:sc= -0.91 K(o=-0.91,f=-2.2) USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 137 MET CE :methyl -170:sc=-0.00459 (180deg=-0.0397) USER MOD ----------------------------------------------------------------- ATOM 54 N GLY A 5 -4.850 -5.900 -15.308 1.00 0.00 N ATOM 55 CA GLY A 5 -6.285 -5.684 -15.613 1.00 0.00 C ATOM 56 C GLY A 5 -6.982 -4.628 -14.732 1.00 0.00 C ATOM 57 O GLY A 5 -8.176 -4.388 -14.876 1.00 0.00 O ATOM 0 HA2 GLY A 5 -6.379 -5.385 -16.657 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -6.812 -6.632 -15.504 1.00 0.00 H new ATOM 61 N ALA A 6 -6.253 -4.133 -13.736 1.00 0.00 N ATOM 62 CA ALA A 6 -6.725 -3.095 -12.800 1.00 0.00 C ATOM 63 C ALA A 6 -5.737 -1.923 -12.805 1.00 0.00 C ATOM 64 O ALA A 6 -4.642 -2.050 -13.348 1.00 0.00 O ATOM 65 CB ALA A 6 -6.855 -3.664 -11.389 1.00 0.00 C ATOM 0 H ALA A 6 -5.300 -4.442 -13.546 1.00 0.00 H new ATOM 0 HA ALA A 6 -7.707 -2.747 -13.120 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -7.204 -2.884 -10.713 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -7.569 -4.487 -11.393 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.884 -4.028 -11.053 1.00 0.00 H new ATOM 71 N ALA A 7 -6.165 -0.815 -12.203 1.00 0.00 N ATOM 72 CA ALA A 7 -5.441 0.471 -12.177 1.00 0.00 C ATOM 73 C ALA A 7 -6.196 1.483 -11.290 1.00 0.00 C ATOM 74 O ALA A 7 -7.337 1.842 -11.579 1.00 0.00 O ATOM 75 CB ALA A 7 -5.321 1.001 -13.615 1.00 0.00 C ATOM 0 H ALA A 7 -7.053 -0.778 -11.702 1.00 0.00 H new ATOM 0 HA ALA A 7 -4.445 0.328 -11.759 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.788 1.952 -13.609 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.773 0.281 -14.224 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -6.317 1.146 -14.033 1.00 0.00 H new ATOM 81 N CYS A 8 -5.697 1.643 -10.067 1.00 0.00 N ATOM 82 CA CYS A 8 -6.230 2.624 -9.096 1.00 0.00 C ATOM 83 C CYS A 8 -5.207 3.703 -8.713 1.00 0.00 C ATOM 84 O CYS A 8 -4.043 3.609 -9.065 1.00 0.00 O ATOM 85 CB CYS A 8 -6.753 1.897 -7.854 1.00 0.00 C ATOM 86 SG CYS A 8 -8.325 1.036 -8.209 1.00 0.00 S ATOM 0 H CYS A 8 -4.910 1.100 -9.711 1.00 0.00 H new ATOM 0 HA CYS A 8 -7.054 3.147 -9.582 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.010 1.177 -7.510 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -6.901 2.613 -7.045 1.00 0.00 H new ATOM 0 HG CYS A 8 -8.530 1.018 -9.493 1.00 0.00 H new ATOM 92 N ASN A 9 -5.608 4.682 -7.916 1.00 0.00 N ATOM 93 CA ASN A 9 -4.708 5.763 -7.478 1.00 0.00 C ATOM 94 C ASN A 9 -4.497 5.706 -5.969 1.00 0.00 C ATOM 95 O ASN A 9 -5.399 5.396 -5.206 1.00 0.00 O ATOM 96 CB ASN A 9 -5.280 7.133 -7.844 1.00 0.00 C ATOM 97 CG ASN A 9 -4.608 7.672 -9.104 1.00 0.00 C ATOM 98 OD1 ASN A 9 -5.169 7.734 -10.188 1.00 0.00 O ATOM 99 ND2 ASN A 9 -3.342 7.998 -8.989 1.00 0.00 N ATOM 0 H ASN A 9 -6.558 4.759 -7.551 1.00 0.00 H new ATOM 0 HA ASN A 9 -3.755 5.622 -7.988 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -6.355 7.054 -8.003 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -5.130 7.829 -7.018 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -2.818 8.306 -9.808 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -2.882 7.943 -8.080 1.00 0.00 H new ATOM 106 N VAL A 10 -3.247 5.816 -5.560 1.00 0.00 N ATOM 107 CA VAL A 10 -2.907 5.844 -4.129 1.00 0.00 C ATOM 108 C VAL A 10 -1.774 6.863 -3.952 1.00 0.00 C ATOM 109 O VAL A 10 -0.978 7.107 -4.858 1.00 0.00 O ATOM 110 CB VAL A 10 -2.579 4.447 -3.531 1.00 0.00 C ATOM 111 CG1 VAL A 10 -3.472 3.300 -4.029 1.00 0.00 C ATOM 112 CG2 VAL A 10 -1.113 4.046 -3.650 1.00 0.00 C ATOM 0 H VAL A 10 -2.445 5.888 -6.187 1.00 0.00 H new ATOM 0 HA VAL A 10 -3.780 6.152 -3.554 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.806 4.596 -2.475 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.165 2.368 -3.555 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -4.511 3.511 -3.775 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.375 3.206 -5.111 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.969 3.060 -3.209 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -0.827 4.019 -4.702 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.493 4.772 -3.124 1.00 0.00 H new ATOM 122 N LEU A 11 -1.732 7.457 -2.780 1.00 0.00 N ATOM 123 CA LEU A 11 -0.651 8.367 -2.401 1.00 0.00 C ATOM 124 C LEU A 11 0.505 7.518 -1.861 1.00 0.00 C ATOM 125 O LEU A 11 0.386 6.837 -0.846 1.00 0.00 O ATOM 126 CB LEU A 11 -1.229 9.345 -1.370 1.00 0.00 C ATOM 127 CG LEU A 11 -0.408 10.572 -0.977 1.00 0.00 C ATOM 128 CD1 LEU A 11 0.852 10.162 -0.235 1.00 0.00 C ATOM 129 CD2 LEU A 11 -0.071 11.443 -2.183 1.00 0.00 C ATOM 0 H LEU A 11 -2.440 7.329 -2.057 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.258 8.952 -3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.187 9.698 -1.751 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.436 8.781 -0.460 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.023 11.173 -0.307 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.421 11.052 0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.581 9.617 0.669 1.00 0.00 H new ATOM 0 HD13 LEU A 11 1.460 9.523 -0.876 1.00 0.00 H new ATOM 0 HD21 LEU A 11 0.513 12.304 -1.858 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.508 10.862 -2.901 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.993 11.786 -2.653 1.00 0.00 H new ATOM 141 N PHE A 12 1.630 7.692 -2.527 1.00 0.00 N ATOM 142 CA PHE A 12 2.923 7.072 -2.221 1.00 0.00 C ATOM 143 C PHE A 12 3.487 7.727 -0.963 1.00 0.00 C ATOM 144 O PHE A 12 3.661 8.946 -0.905 1.00 0.00 O ATOM 145 CB PHE A 12 3.878 7.345 -3.384 1.00 0.00 C ATOM 146 CG PHE A 12 5.263 6.748 -3.172 1.00 0.00 C ATOM 147 CD1 PHE A 12 6.242 7.485 -2.510 1.00 0.00 C ATOM 148 CD2 PHE A 12 5.538 5.462 -3.619 1.00 0.00 C ATOM 149 CE1 PHE A 12 7.491 6.931 -2.295 1.00 0.00 C ATOM 150 CE2 PHE A 12 6.787 4.908 -3.401 1.00 0.00 C ATOM 151 CZ PHE A 12 7.770 5.644 -2.741 1.00 0.00 C ATOM 0 H PHE A 12 1.678 8.302 -3.343 1.00 0.00 H new ATOM 0 HA PHE A 12 2.806 5.999 -2.070 1.00 0.00 H new ATOM 0 HB2 PHE A 12 3.450 6.939 -4.301 1.00 0.00 H new ATOM 0 HB3 PHE A 12 3.971 8.422 -3.525 1.00 0.00 H new ATOM 0 HD1 PHE A 12 6.027 8.486 -2.166 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.778 4.895 -4.136 1.00 0.00 H new ATOM 0 HE1 PHE A 12 8.251 7.499 -1.780 1.00 0.00 H new ATOM 0 HE2 PHE A 12 7.000 3.906 -3.742 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.747 5.215 -2.576 1.00 0.00 H new ATOM 161 N ILE A 13 3.906 6.851 -0.070 1.00 0.00 N ATOM 162 CA ILE A 13 4.529 7.299 1.177 1.00 0.00 C ATOM 163 C ILE A 13 6.006 6.859 1.165 1.00 0.00 C ATOM 164 O ILE A 13 6.879 7.674 0.876 1.00 0.00 O ATOM 165 CB ILE A 13 3.730 6.787 2.385 1.00 0.00 C ATOM 166 CG1 ILE A 13 2.226 7.128 2.389 1.00 0.00 C ATOM 167 CG2 ILE A 13 4.417 7.305 3.638 1.00 0.00 C ATOM 168 CD1 ILE A 13 1.844 8.602 2.544 1.00 0.00 C ATOM 0 H ILE A 13 3.832 5.839 -0.174 1.00 0.00 H new ATOM 0 HA ILE A 13 4.514 8.386 1.263 1.00 0.00 H new ATOM 0 HB ILE A 13 3.734 5.698 2.336 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.794 6.763 1.457 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.755 6.570 3.198 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.875 6.960 4.519 1.00 0.00 H new ATOM 0 HG22 ILE A 13 5.441 6.932 3.672 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.428 8.395 3.623 1.00 0.00 H new ATOM 0 HD11 ILE A 13 0.758 8.700 2.530 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.231 8.981 3.490 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.270 9.177 1.722 1.00 0.00 H new ATOM 180 N ASN A 14 6.252 5.620 1.594 1.00 0.00 N ATOM 181 CA ASN A 14 7.588 4.993 1.662 1.00 0.00 C ATOM 182 C ASN A 14 7.454 3.525 2.109 1.00 0.00 C ATOM 183 O ASN A 14 6.375 3.082 2.510 1.00 0.00 O ATOM 184 CB ASN A 14 8.513 5.757 2.636 1.00 0.00 C ATOM 185 CG ASN A 14 8.150 5.555 4.109 1.00 0.00 C ATOM 186 OD1 ASN A 14 7.385 6.445 4.685 1.00 0.00 O flip ATOM 187 ND2 ASN A 14 8.479 4.549 4.719 1.00 0.00 N flip ATOM 0 H ASN A 14 5.509 5.000 1.915 1.00 0.00 H new ATOM 0 HA ASN A 14 8.034 5.032 0.668 1.00 0.00 H new ATOM 0 HB2 ASN A 14 9.542 5.434 2.476 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.473 6.821 2.403 1.00 0.00 H new ATOM 0 HD21 ASN A 14 9.076 3.853 4.271 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.157 4.405 5.676 1.00 0.00 H new ATOM 194 N SER A 15 8.607 2.873 2.205 1.00 0.00 N ATOM 195 CA SER A 15 8.718 1.504 2.728 1.00 0.00 C ATOM 196 C SER A 15 9.473 1.526 4.060 1.00 0.00 C ATOM 197 O SER A 15 10.571 2.068 4.183 1.00 0.00 O ATOM 198 CB SER A 15 9.445 0.594 1.734 1.00 0.00 C ATOM 199 OG SER A 15 10.766 1.050 1.429 1.00 0.00 O ATOM 0 H SER A 15 9.500 3.276 1.922 1.00 0.00 H new ATOM 0 HA SER A 15 7.714 1.108 2.880 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.499 -0.414 2.144 1.00 0.00 H new ATOM 0 HB3 SER A 15 8.865 0.533 0.813 1.00 0.00 H new ATOM 0 HG SER A 15 11.093 1.618 2.158 1.00 0.00 H new ATOM 205 N VAL A 16 8.838 0.915 5.048 1.00 0.00 N ATOM 206 CA VAL A 16 9.429 0.775 6.391 1.00 0.00 C ATOM 207 C VAL A 16 9.620 -0.699 6.737 1.00 0.00 C ATOM 208 O VAL A 16 8.682 -1.499 6.793 1.00 0.00 O ATOM 209 CB VAL A 16 8.693 1.533 7.512 1.00 0.00 C ATOM 210 CG1 VAL A 16 8.864 3.045 7.378 1.00 0.00 C ATOM 211 CG2 VAL A 16 7.211 1.194 7.572 1.00 0.00 C ATOM 0 H VAL A 16 7.909 0.503 4.955 1.00 0.00 H new ATOM 0 HA VAL A 16 10.402 1.264 6.335 1.00 0.00 H new ATOM 0 HB VAL A 16 9.154 1.203 8.443 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.331 3.545 8.187 1.00 0.00 H new ATOM 0 HG12 VAL A 16 9.923 3.298 7.431 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.461 3.373 6.420 1.00 0.00 H new ATOM 0 HG21 VAL A 16 6.742 1.756 8.379 1.00 0.00 H new ATOM 0 HG22 VAL A 16 6.739 1.456 6.625 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.089 0.126 7.754 1.00 0.00 H new ATOM 221 N GLU A 17 10.896 -1.058 6.707 1.00 0.00 N ATOM 222 CA GLU A 17 11.331 -2.430 7.025 1.00 0.00 C ATOM 223 C GLU A 17 10.893 -2.827 8.436 1.00 0.00 C ATOM 224 O GLU A 17 11.247 -2.194 9.426 1.00 0.00 O ATOM 225 CB GLU A 17 12.836 -2.675 6.847 1.00 0.00 C ATOM 226 CG GLU A 17 13.771 -1.648 7.504 1.00 0.00 C ATOM 227 CD GLU A 17 14.229 -0.594 6.493 1.00 0.00 C ATOM 228 OE1 GLU A 17 14.827 -1.008 5.477 1.00 0.00 O ATOM 229 OE2 GLU A 17 13.892 0.587 6.716 1.00 0.00 O ATOM 0 H GLU A 17 11.657 -0.423 6.466 1.00 0.00 H new ATOM 0 HA GLU A 17 10.835 -3.066 6.291 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.073 -3.660 7.248 1.00 0.00 H new ATOM 0 HB3 GLU A 17 13.055 -2.704 5.780 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.257 -1.162 8.333 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.639 -2.157 7.922 1.00 0.00 H new ATOM 236 N MET A 18 9.984 -3.787 8.453 1.00 0.00 N ATOM 237 CA MET A 18 9.466 -4.339 9.712 1.00 0.00 C ATOM 238 C MET A 18 10.417 -5.340 10.375 1.00 0.00 C ATOM 239 O MET A 18 10.264 -5.641 11.552 1.00 0.00 O ATOM 240 CB MET A 18 8.074 -4.931 9.501 1.00 0.00 C ATOM 241 CG MET A 18 7.048 -4.136 10.313 1.00 0.00 C ATOM 242 SD MET A 18 6.535 -2.511 9.645 1.00 0.00 S ATOM 243 CE MET A 18 7.743 -1.405 10.342 1.00 0.00 C ATOM 0 H MET A 18 9.584 -4.206 7.614 1.00 0.00 H new ATOM 0 HA MET A 18 9.389 -3.509 10.414 1.00 0.00 H new ATOM 0 HB2 MET A 18 7.814 -4.905 8.443 1.00 0.00 H new ATOM 0 HB3 MET A 18 8.063 -5.977 9.807 1.00 0.00 H new ATOM 0 HG2 MET A 18 6.156 -4.752 10.427 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.456 -3.978 11.311 1.00 0.00 H new ATOM 0 HE1 MET A 18 7.338 -0.393 10.367 1.00 0.00 H new ATOM 0 HE2 MET A 18 7.986 -1.724 11.355 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.645 -1.419 9.731 1.00 0.00 H new ATOM 253 N GLU A 19 11.335 -5.896 9.578 1.00 0.00 N ATOM 254 CA GLU A 19 12.293 -6.949 10.003 1.00 0.00 C ATOM 255 C GLU A 19 11.589 -8.265 10.380 1.00 0.00 C ATOM 256 O GLU A 19 11.957 -8.953 11.329 1.00 0.00 O ATOM 257 CB GLU A 19 13.188 -6.461 11.155 1.00 0.00 C ATOM 258 CG GLU A 19 14.479 -5.819 10.650 1.00 0.00 C ATOM 259 CD GLU A 19 14.767 -4.489 11.351 1.00 0.00 C ATOM 260 OE1 GLU A 19 13.873 -3.616 11.296 1.00 0.00 O ATOM 261 OE2 GLU A 19 15.927 -4.319 11.782 1.00 0.00 O ATOM 0 H GLU A 19 11.444 -5.629 8.600 1.00 0.00 H new ATOM 0 HA GLU A 19 12.927 -7.157 9.141 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.638 -5.740 11.760 1.00 0.00 H new ATOM 0 HB3 GLU A 19 13.432 -7.302 11.805 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.312 -6.503 10.812 1.00 0.00 H new ATOM 0 HG3 GLU A 19 14.406 -5.655 9.575 1.00 0.00 H new ATOM 268 N SER A 20 10.569 -8.588 9.582 1.00 0.00 N ATOM 269 CA SER A 20 9.663 -9.743 9.788 1.00 0.00 C ATOM 270 C SER A 20 8.850 -9.582 11.077 1.00 0.00 C ATOM 271 O SER A 20 9.200 -10.074 12.146 1.00 0.00 O ATOM 272 CB SER A 20 10.378 -11.103 9.840 1.00 0.00 C ATOM 273 OG SER A 20 10.466 -11.710 8.551 1.00 0.00 O ATOM 0 H SER A 20 10.336 -8.046 8.750 1.00 0.00 H new ATOM 0 HA SER A 20 9.014 -9.743 8.912 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.380 -10.970 10.248 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.843 -11.768 10.518 1.00 0.00 H new ATOM 0 HG SER A 20 11.217 -11.320 8.056 1.00 0.00 H new ATOM 279 N LEU A 21 7.747 -8.853 10.938 1.00 0.00 N ATOM 280 CA LEU A 21 6.829 -8.645 12.072 1.00 0.00 C ATOM 281 C LEU A 21 5.833 -9.811 12.153 1.00 0.00 C ATOM 282 O LEU A 21 6.192 -10.877 12.644 1.00 0.00 O ATOM 283 CB LEU A 21 6.205 -7.241 11.991 1.00 0.00 C ATOM 284 CG LEU A 21 6.577 -6.259 13.123 1.00 0.00 C ATOM 285 CD1 LEU A 21 5.735 -6.515 14.370 1.00 0.00 C ATOM 286 CD2 LEU A 21 8.060 -6.281 13.504 1.00 0.00 C ATOM 0 H LEU A 21 7.463 -8.400 10.070 1.00 0.00 H new ATOM 0 HA LEU A 21 7.362 -8.660 13.023 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.495 -6.793 11.041 1.00 0.00 H new ATOM 0 HB3 LEU A 21 5.121 -7.349 11.975 1.00 0.00 H new ATOM 0 HG LEU A 21 6.364 -5.269 12.720 1.00 0.00 H new ATOM 0 HD11 LEU A 21 6.018 -5.809 15.151 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.680 -6.386 14.129 1.00 0.00 H new ATOM 0 HD13 LEU A 21 5.905 -7.533 14.721 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.240 -5.564 14.305 1.00 0.00 H new ATOM 0 HD22 LEU A 21 8.334 -7.280 13.842 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.663 -6.014 12.636 1.00 0.00 H new ATOM 298 N THR A 22 4.727 -9.703 11.416 1.00 0.00 N ATOM 299 CA THR A 22 3.651 -10.722 11.370 1.00 0.00 C ATOM 300 C THR A 22 2.700 -10.405 10.200 1.00 0.00 C ATOM 301 O THR A 22 2.982 -10.783 9.068 1.00 0.00 O ATOM 302 CB THR A 22 2.958 -10.876 12.750 1.00 0.00 C ATOM 303 OG1 THR A 22 3.862 -11.529 13.641 1.00 0.00 O ATOM 304 CG2 THR A 22 1.650 -11.677 12.765 1.00 0.00 C ATOM 0 H THR A 22 4.540 -8.896 10.821 1.00 0.00 H new ATOM 0 HA THR A 22 4.071 -11.708 11.170 1.00 0.00 H new ATOM 0 HB THR A 22 2.696 -9.860 13.045 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.725 -11.659 13.195 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.259 -11.717 13.782 1.00 0.00 H new ATOM 0 HG22 THR A 22 0.920 -11.195 12.115 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.839 -12.690 12.409 1.00 0.00 H new ATOM 312 N GLY A 23 1.705 -9.551 10.473 1.00 0.00 N ATOM 313 CA GLY A 23 0.694 -9.165 9.471 1.00 0.00 C ATOM 314 C GLY A 23 -0.210 -8.059 10.035 1.00 0.00 C ATOM 315 O GLY A 23 0.155 -6.894 9.855 1.00 0.00 O ATOM 0 H GLY A 23 1.576 -9.110 11.384 1.00 0.00 H new ATOM 0 HA2 GLY A 23 1.185 -8.816 8.563 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.093 -10.032 9.196 1.00 0.00 H new ATOM 319 N PRO A 24 -1.216 -8.402 10.865 1.00 0.00 N ATOM 320 CA PRO A 24 -2.125 -7.420 11.501 1.00 0.00 C ATOM 321 C PRO A 24 -1.487 -6.637 12.670 1.00 0.00 C ATOM 322 O PRO A 24 -2.069 -6.434 13.730 1.00 0.00 O ATOM 323 CB PRO A 24 -3.338 -8.258 11.919 1.00 0.00 C ATOM 324 CG PRO A 24 -2.724 -9.608 12.282 1.00 0.00 C ATOM 325 CD PRO A 24 -1.600 -9.777 11.259 1.00 0.00 C ATOM 0 HA PRO A 24 -2.394 -6.617 10.815 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -3.862 -7.814 12.765 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.062 -8.350 11.109 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -2.342 -9.613 13.303 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -3.455 -10.413 12.211 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -0.754 -10.313 11.690 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -1.937 -10.353 10.397 1.00 0.00 H new ATOM 333 N GLN A 25 -0.267 -6.176 12.416 1.00 0.00 N ATOM 334 CA GLN A 25 0.567 -5.396 13.352 1.00 0.00 C ATOM 335 C GLN A 25 1.518 -4.475 12.581 1.00 0.00 C ATOM 336 O GLN A 25 1.521 -3.271 12.795 1.00 0.00 O ATOM 337 CB GLN A 25 1.408 -6.326 14.232 1.00 0.00 C ATOM 338 CG GLN A 25 2.178 -5.551 15.309 1.00 0.00 C ATOM 339 CD GLN A 25 1.567 -5.717 16.699 1.00 0.00 C ATOM 340 OE1 GLN A 25 1.125 -6.785 17.103 1.00 0.00 O ATOM 341 NE2 GLN A 25 1.600 -4.673 17.493 1.00 0.00 N ATOM 0 H GLN A 25 0.195 -6.336 11.521 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.103 -4.804 13.975 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.759 -7.061 14.708 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.112 -6.878 13.609 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.213 -5.892 15.328 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.196 -4.493 15.048 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.969 -3.785 17.153 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.257 -4.749 18.450 1.00 0.00 H new ATOM 350 N ALA A 26 2.198 -5.032 11.582 1.00 0.00 N ATOM 351 CA ALA A 26 3.122 -4.274 10.725 1.00 0.00 C ATOM 352 C ALA A 26 2.402 -3.139 9.995 1.00 0.00 C ATOM 353 O ALA A 26 2.939 -2.057 9.897 1.00 0.00 O ATOM 354 CB ALA A 26 3.734 -5.232 9.717 1.00 0.00 C ATOM 0 H ALA A 26 2.128 -6.020 11.339 1.00 0.00 H new ATOM 0 HA ALA A 26 3.897 -3.824 11.346 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.423 -4.689 9.071 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.274 -6.019 10.244 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.944 -5.677 9.112 1.00 0.00 H new ATOM 360 N ILE A 27 1.106 -3.314 9.768 1.00 0.00 N ATOM 361 CA ILE A 27 0.249 -2.292 9.151 1.00 0.00 C ATOM 362 C ILE A 27 0.091 -1.075 10.086 1.00 0.00 C ATOM 363 O ILE A 27 0.283 0.043 9.634 1.00 0.00 O ATOM 364 CB ILE A 27 -1.094 -2.933 8.788 1.00 0.00 C ATOM 365 CG1 ILE A 27 -0.887 -4.174 7.914 1.00 0.00 C ATOM 366 CG2 ILE A 27 -1.906 -1.937 7.972 1.00 0.00 C ATOM 367 CD1 ILE A 27 -1.947 -5.224 8.229 1.00 0.00 C ATOM 0 H ILE A 27 0.610 -4.173 10.006 1.00 0.00 H new ATOM 0 HA ILE A 27 0.708 -1.915 8.237 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.602 -3.212 9.711 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.940 -3.899 6.861 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.107 -4.587 8.086 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -2.866 -2.381 7.706 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.074 -1.035 8.561 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.361 -1.681 7.063 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.789 -6.101 7.601 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.874 -5.511 9.278 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.937 -4.812 8.033 1.00 0.00 H new ATOM 379 N SER A 28 -0.020 -1.307 11.393 1.00 0.00 N ATOM 380 CA SER A 28 -0.098 -0.213 12.383 1.00 0.00 C ATOM 381 C SER A 28 1.299 0.256 12.797 1.00 0.00 C ATOM 382 O SER A 28 1.561 1.443 12.709 1.00 0.00 O ATOM 383 CB SER A 28 -0.892 -0.587 13.639 1.00 0.00 C ATOM 384 OG SER A 28 -0.297 -1.710 14.292 1.00 0.00 O ATOM 0 H SER A 28 -0.059 -2.241 11.800 1.00 0.00 H new ATOM 0 HA SER A 28 -0.631 0.595 11.882 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.925 0.262 14.321 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.922 -0.820 13.369 1.00 0.00 H new ATOM 0 HG SER A 28 0.296 -2.176 13.666 1.00 0.00 H new ATOM 390 N LYS A 29 2.229 -0.672 13.017 1.00 0.00 N ATOM 391 CA LYS A 29 3.639 -0.361 13.323 1.00 0.00 C ATOM 392 C LYS A 29 4.295 0.455 12.195 1.00 0.00 C ATOM 393 O LYS A 29 4.971 1.431 12.475 1.00 0.00 O ATOM 394 CB LYS A 29 4.423 -1.647 13.617 1.00 0.00 C ATOM 395 CG LYS A 29 5.811 -1.328 14.187 1.00 0.00 C ATOM 396 CD LYS A 29 6.042 -2.008 15.537 1.00 0.00 C ATOM 397 CE LYS A 29 7.380 -1.584 16.151 1.00 0.00 C ATOM 398 NZ LYS A 29 7.231 -0.516 17.153 1.00 0.00 N ATOM 0 H LYS A 29 2.031 -1.672 12.989 1.00 0.00 H new ATOM 0 HA LYS A 29 3.661 0.259 14.219 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.868 -2.261 14.326 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.527 -2.231 12.702 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.576 -1.652 13.482 1.00 0.00 H new ATOM 0 HG3 LYS A 29 5.918 -0.249 14.301 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.230 -1.754 16.218 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.025 -3.090 15.409 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.853 -2.449 16.616 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.047 -1.243 15.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.165 -0.267 17.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.805 0.322 16.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.617 -0.847 17.924 1.00 0.00 H new ATOM 412 N ALA A 30 3.924 0.175 10.950 1.00 0.00 N ATOM 413 CA ALA A 30 4.342 0.947 9.768 1.00 0.00 C ATOM 414 C ALA A 30 3.621 2.294 9.694 1.00 0.00 C ATOM 415 O ALA A 30 4.262 3.303 9.925 1.00 0.00 O ATOM 416 CB ALA A 30 4.072 0.161 8.492 1.00 0.00 C ATOM 0 H ALA A 30 3.312 -0.609 10.722 1.00 0.00 H new ATOM 0 HA ALA A 30 5.412 1.130 9.864 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.388 0.748 7.629 1.00 0.00 H new ATOM 0 HB2 ALA A 30 4.629 -0.776 8.517 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.006 -0.053 8.415 1.00 0.00 H new ATOM 422 N VAL A 31 2.290 2.275 9.769 1.00 0.00 N ATOM 423 CA VAL A 31 1.464 3.505 9.752 1.00 0.00 C ATOM 424 C VAL A 31 1.872 4.488 10.871 1.00 0.00 C ATOM 425 O VAL A 31 2.072 5.678 10.636 1.00 0.00 O ATOM 426 CB VAL A 31 -0.013 3.078 9.829 1.00 0.00 C ATOM 427 CG1 VAL A 31 -0.972 4.183 10.286 1.00 0.00 C ATOM 428 CG2 VAL A 31 -0.452 2.571 8.456 1.00 0.00 C ATOM 0 H VAL A 31 1.746 1.415 9.843 1.00 0.00 H new ATOM 0 HA VAL A 31 1.626 4.059 8.827 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.067 2.299 10.589 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.990 3.794 10.311 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.688 4.522 11.282 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.921 5.020 9.590 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.497 2.265 8.498 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -0.336 3.367 7.720 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.164 1.719 8.169 1.00 0.00 H new ATOM 438 N ALA A 32 2.125 3.926 12.045 1.00 0.00 N ATOM 439 CA ALA A 32 2.535 4.659 13.255 1.00 0.00 C ATOM 440 C ALA A 32 3.996 5.121 13.179 1.00 0.00 C ATOM 441 O ALA A 32 4.283 6.258 13.533 1.00 0.00 O ATOM 442 CB ALA A 32 2.308 3.808 14.507 1.00 0.00 C ATOM 0 H ALA A 32 2.051 2.920 12.196 1.00 0.00 H new ATOM 0 HA ALA A 32 1.912 5.551 13.318 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.618 4.369 15.389 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.251 3.557 14.589 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.894 2.892 14.435 1.00 0.00 H new ATOM 448 N GLU A 33 4.848 4.329 12.529 1.00 0.00 N ATOM 449 CA GLU A 33 6.262 4.696 12.287 1.00 0.00 C ATOM 450 C GLU A 33 6.481 5.227 10.858 1.00 0.00 C ATOM 451 O GLU A 33 7.506 5.009 10.211 1.00 0.00 O ATOM 452 CB GLU A 33 7.163 3.484 12.546 1.00 0.00 C ATOM 453 CG GLU A 33 7.051 2.969 13.984 1.00 0.00 C ATOM 454 CD GLU A 33 8.376 3.100 14.724 1.00 0.00 C ATOM 455 OE1 GLU A 33 9.310 2.358 14.352 1.00 0.00 O ATOM 456 OE2 GLU A 33 8.396 3.891 15.691 1.00 0.00 O ATOM 0 H GLU A 33 4.589 3.417 12.153 1.00 0.00 H new ATOM 0 HA GLU A 33 6.522 5.499 12.976 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.898 2.684 11.855 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.199 3.754 12.339 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.280 3.528 14.514 1.00 0.00 H new ATOM 0 HG3 GLU A 33 6.739 1.925 13.975 1.00 0.00 H new ATOM 463 N THR A 34 5.420 5.818 10.319 1.00 0.00 N ATOM 464 CA THR A 34 5.447 6.400 8.968 1.00 0.00 C ATOM 465 C THR A 34 4.745 7.757 8.881 1.00 0.00 C ATOM 466 O THR A 34 5.326 8.694 8.341 1.00 0.00 O ATOM 467 CB THR A 34 4.945 5.368 7.957 1.00 0.00 C ATOM 468 OG1 THR A 34 5.891 4.306 7.889 1.00 0.00 O ATOM 469 CG2 THR A 34 4.854 5.927 6.558 1.00 0.00 C ATOM 0 H THR A 34 4.522 5.910 10.795 1.00 0.00 H new ATOM 0 HA THR A 34 6.480 6.635 8.711 1.00 0.00 H new ATOM 0 HB THR A 34 3.957 5.051 8.290 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.669 3.627 8.560 1.00 0.00 H new ATOM 0 HG21 THR A 34 4.493 5.154 5.880 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.164 6.770 6.547 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.840 6.261 6.235 1.00 0.00 H new ATOM 477 N LEU A 35 3.598 7.877 9.543 1.00 0.00 N ATOM 478 CA LEU A 35 2.893 9.169 9.660 1.00 0.00 C ATOM 479 C LEU A 35 3.706 10.215 10.443 1.00 0.00 C ATOM 480 O LEU A 35 3.620 11.408 10.174 1.00 0.00 O ATOM 481 CB LEU A 35 1.516 8.962 10.293 1.00 0.00 C ATOM 482 CG LEU A 35 0.414 8.701 9.258 1.00 0.00 C ATOM 483 CD1 LEU A 35 0.526 7.343 8.560 1.00 0.00 C ATOM 484 CD2 LEU A 35 -0.938 8.816 9.950 1.00 0.00 C ATOM 0 H LEU A 35 3.129 7.101 10.010 1.00 0.00 H new ATOM 0 HA LEU A 35 2.767 9.564 8.652 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.563 8.121 10.985 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.255 9.843 10.879 1.00 0.00 H new ATOM 0 HG LEU A 35 0.526 9.449 8.473 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.288 7.234 7.844 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.480 7.280 8.037 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.466 6.547 9.302 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.733 8.633 9.227 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.000 8.080 10.752 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.050 9.817 10.367 1.00 0.00 H new ATOM 496 N VAL A 36 4.548 9.702 11.340 1.00 0.00 N ATOM 497 CA VAL A 36 5.497 10.501 12.137 1.00 0.00 C ATOM 498 C VAL A 36 6.968 10.240 11.741 1.00 0.00 C ATOM 499 O VAL A 36 7.863 10.900 12.268 1.00 0.00 O ATOM 500 CB VAL A 36 5.218 10.267 13.638 1.00 0.00 C ATOM 501 CG1 VAL A 36 5.743 8.931 14.181 1.00 0.00 C ATOM 502 CG2 VAL A 36 5.693 11.450 14.485 1.00 0.00 C ATOM 0 H VAL A 36 4.596 8.703 11.541 1.00 0.00 H new ATOM 0 HA VAL A 36 5.341 11.558 11.922 1.00 0.00 H new ATOM 0 HB VAL A 36 4.134 10.197 13.722 1.00 0.00 H new ATOM 0 HG11 VAL A 36 5.504 8.850 15.241 1.00 0.00 H new ATOM 0 HG12 VAL A 36 5.275 8.109 13.640 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.824 8.884 14.048 1.00 0.00 H new ATOM 0 HG21 VAL A 36 5.482 11.253 15.536 1.00 0.00 H new ATOM 0 HG22 VAL A 36 6.766 11.587 14.350 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.170 12.354 14.173 1.00 0.00 H new ATOM 512 N ALA A 37 7.204 9.235 10.883 1.00 0.00 N ATOM 513 CA ALA A 37 8.545 8.833 10.407 1.00 0.00 C ATOM 514 C ALA A 37 9.363 10.069 10.031 1.00 0.00 C ATOM 515 O ALA A 37 8.924 10.868 9.213 1.00 0.00 O ATOM 516 CB ALA A 37 8.461 7.944 9.162 1.00 0.00 C ATOM 0 H ALA A 37 6.455 8.665 10.490 1.00 0.00 H new ATOM 0 HA ALA A 37 9.016 8.281 11.220 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.466 7.669 8.842 1.00 0.00 H new ATOM 0 HB2 ALA A 37 7.896 7.042 9.396 1.00 0.00 H new ATOM 0 HB3 ALA A 37 7.961 8.487 8.360 1.00 0.00 H new ATOM 522 N ASP A 38 10.357 10.327 10.871 1.00 0.00 N ATOM 523 CA ASP A 38 11.207 11.517 10.752 1.00 0.00 C ATOM 524 C ASP A 38 12.551 11.130 10.110 1.00 0.00 C ATOM 525 O ASP A 38 13.226 10.244 10.634 1.00 0.00 O ATOM 526 CB ASP A 38 11.378 12.192 12.122 1.00 0.00 C ATOM 527 CG ASP A 38 12.418 13.321 12.093 1.00 0.00 C ATOM 528 OD1 ASP A 38 12.084 14.402 11.564 1.00 0.00 O ATOM 529 OD2 ASP A 38 13.560 13.034 12.509 1.00 0.00 O ATOM 0 H ASP A 38 10.601 9.722 11.655 1.00 0.00 H new ATOM 0 HA ASP A 38 10.731 12.249 10.100 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.419 12.594 12.448 1.00 0.00 H new ATOM 0 HB3 ASP A 38 11.677 11.445 12.857 1.00 0.00 H new ATOM 534 N PRO A 39 12.893 11.823 9.017 1.00 0.00 N ATOM 535 CA PRO A 39 12.068 12.859 8.359 1.00 0.00 C ATOM 536 C PRO A 39 10.895 12.260 7.566 1.00 0.00 C ATOM 537 O PRO A 39 10.927 11.091 7.185 1.00 0.00 O ATOM 538 CB PRO A 39 13.051 13.628 7.478 1.00 0.00 C ATOM 539 CG PRO A 39 14.094 12.574 7.105 1.00 0.00 C ATOM 540 CD PRO A 39 14.204 11.696 8.353 1.00 0.00 C ATOM 0 HA PRO A 39 11.579 13.513 9.081 1.00 0.00 H new ATOM 0 HB2 PRO A 39 12.562 14.039 6.595 1.00 0.00 H new ATOM 0 HB3 PRO A 39 13.500 14.465 8.013 1.00 0.00 H new ATOM 0 HG2 PRO A 39 13.781 11.994 6.237 1.00 0.00 H new ATOM 0 HG3 PRO A 39 15.051 13.032 6.855 1.00 0.00 H new ATOM 0 HD2 PRO A 39 14.416 10.660 8.091 1.00 0.00 H new ATOM 0 HD3 PRO A 39 15.012 12.032 9.004 1.00 0.00 H new ATOM 548 N THR A 40 9.818 13.034 7.483 1.00 0.00 N ATOM 549 CA THR A 40 8.583 12.610 6.792 1.00 0.00 C ATOM 550 C THR A 40 8.704 12.800 5.272 1.00 0.00 C ATOM 551 O THR A 40 9.026 13.903 4.824 1.00 0.00 O ATOM 552 CB THR A 40 7.353 13.297 7.413 1.00 0.00 C ATOM 553 OG1 THR A 40 7.229 12.804 8.747 1.00 0.00 O ATOM 554 CG2 THR A 40 6.031 13.071 6.670 1.00 0.00 C ATOM 0 H THR A 40 9.766 13.969 7.887 1.00 0.00 H new ATOM 0 HA THR A 40 8.438 11.540 6.940 1.00 0.00 H new ATOM 0 HB THR A 40 7.525 14.372 7.360 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.605 11.901 8.798 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.228 13.596 7.188 1.00 0.00 H new ATOM 0 HG22 THR A 40 6.116 13.451 5.652 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.807 12.005 6.641 1.00 0.00 H new ATOM 562 N PRO A 41 8.534 11.710 4.511 1.00 0.00 N ATOM 563 CA PRO A 41 8.557 11.767 3.042 1.00 0.00 C ATOM 564 C PRO A 41 7.323 12.494 2.503 1.00 0.00 C ATOM 565 O PRO A 41 6.277 12.593 3.148 1.00 0.00 O ATOM 566 CB PRO A 41 8.633 10.309 2.588 1.00 0.00 C ATOM 567 CG PRO A 41 7.905 9.560 3.702 1.00 0.00 C ATOM 568 CD PRO A 41 8.289 10.326 4.971 1.00 0.00 C ATOM 0 HA PRO A 41 9.405 12.335 2.658 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.151 10.162 1.622 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.665 9.973 2.484 1.00 0.00 H new ATOM 0 HG2 PRO A 41 6.826 9.561 3.546 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.219 8.517 3.754 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.491 10.290 5.713 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.177 9.900 5.438 1.00 0.00 H new ATOM 576 N THR A 42 7.541 13.086 1.343 1.00 0.00 N ATOM 577 CA THR A 42 6.522 13.846 0.605 1.00 0.00 C ATOM 578 C THR A 42 5.500 12.911 -0.040 1.00 0.00 C ATOM 579 O THR A 42 5.791 11.806 -0.493 1.00 0.00 O ATOM 580 CB THR A 42 7.187 14.734 -0.453 1.00 0.00 C ATOM 581 OG1 THR A 42 8.272 14.026 -1.066 1.00 0.00 O ATOM 582 CG2 THR A 42 7.654 16.057 0.161 1.00 0.00 C ATOM 0 H THR A 42 8.444 13.058 0.870 1.00 0.00 H new ATOM 0 HA THR A 42 5.991 14.483 1.312 1.00 0.00 H new ATOM 0 HB THR A 42 6.456 14.977 -1.224 1.00 0.00 H new ATOM 0 HG1 THR A 42 8.031 13.081 -1.166 1.00 0.00 H new ATOM 0 HG21 THR A 42 8.123 16.670 -0.609 1.00 0.00 H new ATOM 0 HG22 THR A 42 6.797 16.588 0.576 1.00 0.00 H new ATOM 0 HG23 THR A 42 8.375 15.856 0.953 1.00 0.00 H new ATOM 590 N ALA A 43 4.266 13.369 0.073 1.00 0.00 N ATOM 591 CA ALA A 43 3.074 12.704 -0.457 1.00 0.00 C ATOM 592 C ALA A 43 3.009 12.786 -1.995 1.00 0.00 C ATOM 593 O ALA A 43 2.846 13.868 -2.561 1.00 0.00 O ATOM 594 CB ALA A 43 1.906 13.412 0.229 1.00 0.00 C ATOM 0 H ALA A 43 4.052 14.244 0.552 1.00 0.00 H new ATOM 0 HA ALA A 43 3.065 11.634 -0.251 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.966 12.976 -0.110 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.992 13.293 1.309 1.00 0.00 H new ATOM 0 HB3 ALA A 43 1.926 14.473 -0.022 1.00 0.00 H new ATOM 600 N THR A 44 3.260 11.664 -2.670 1.00 0.00 N ATOM 601 CA THR A 44 3.241 11.625 -4.154 1.00 0.00 C ATOM 602 C THR A 44 2.118 10.737 -4.713 1.00 0.00 C ATOM 603 O THR A 44 1.894 9.628 -4.252 1.00 0.00 O ATOM 604 CB THR A 44 4.644 11.231 -4.645 1.00 0.00 C ATOM 605 OG1 THR A 44 5.516 12.308 -4.303 1.00 0.00 O ATOM 606 CG2 THR A 44 4.765 10.949 -6.144 1.00 0.00 C ATOM 0 H THR A 44 3.478 10.771 -2.228 1.00 0.00 H new ATOM 0 HA THR A 44 3.003 12.615 -4.542 1.00 0.00 H new ATOM 0 HB THR A 44 4.898 10.286 -4.164 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.427 12.098 -4.597 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.794 10.681 -6.382 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.104 10.126 -6.414 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.483 11.840 -6.706 1.00 0.00 H new ATOM 614 N ILE A 45 1.443 11.212 -5.753 1.00 0.00 N ATOM 615 CA ILE A 45 0.322 10.476 -6.381 1.00 0.00 C ATOM 616 C ILE A 45 0.882 9.373 -7.294 1.00 0.00 C ATOM 617 O ILE A 45 1.683 9.612 -8.200 1.00 0.00 O ATOM 618 CB ILE A 45 -0.609 11.441 -7.140 1.00 0.00 C ATOM 619 CG1 ILE A 45 -1.114 12.529 -6.185 1.00 0.00 C ATOM 620 CG2 ILE A 45 -1.807 10.697 -7.753 1.00 0.00 C ATOM 621 CD1 ILE A 45 -1.438 13.852 -6.882 1.00 0.00 C ATOM 0 H ILE A 45 1.645 12.110 -6.191 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.282 10.002 -5.607 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.039 11.894 -7.951 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.007 12.168 -5.676 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -0.360 12.707 -5.418 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.444 11.406 -8.281 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.447 9.942 -8.452 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.380 10.215 -6.961 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.789 14.575 -6.146 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.541 14.236 -7.368 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.214 13.689 -7.629 1.00 0.00 H new ATOM 633 N VAL A 46 0.494 8.150 -6.968 1.00 0.00 N ATOM 634 CA VAL A 46 0.884 6.951 -7.732 1.00 0.00 C ATOM 635 C VAL A 46 -0.339 6.085 -8.069 1.00 0.00 C ATOM 636 O VAL A 46 -1.422 6.269 -7.518 1.00 0.00 O ATOM 637 CB VAL A 46 1.999 6.140 -7.036 1.00 0.00 C ATOM 638 CG1 VAL A 46 3.284 6.962 -6.906 1.00 0.00 C ATOM 639 CG2 VAL A 46 1.594 5.579 -5.672 1.00 0.00 C ATOM 0 H VAL A 46 -0.102 7.949 -6.165 1.00 0.00 H new ATOM 0 HA VAL A 46 1.310 7.297 -8.674 1.00 0.00 H new ATOM 0 HB VAL A 46 2.181 5.283 -7.685 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.050 6.364 -6.412 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.633 7.251 -7.897 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.086 7.857 -6.316 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.428 5.022 -5.245 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.327 6.399 -5.006 1.00 0.00 H new ATOM 0 HG23 VAL A 46 0.738 4.915 -5.791 1.00 0.00 H new ATOM 649 N HIS A 47 -0.147 5.207 -9.038 1.00 0.00 N ATOM 650 CA HIS A 47 -1.179 4.273 -9.508 1.00 0.00 C ATOM 651 C HIS A 47 -0.849 2.855 -9.013 1.00 0.00 C ATOM 652 O HIS A 47 0.315 2.474 -8.883 1.00 0.00 O ATOM 653 CB HIS A 47 -1.216 4.360 -11.034 1.00 0.00 C ATOM 654 CG HIS A 47 -2.646 4.393 -11.593 1.00 0.00 C ATOM 655 ND1 HIS A 47 -3.403 5.466 -11.752 1.00 0.00 N ATOM 656 CD2 HIS A 47 -3.338 3.331 -11.961 1.00 0.00 C ATOM 657 CE1 HIS A 47 -4.601 5.068 -12.191 1.00 0.00 C ATOM 658 NE2 HIS A 47 -4.549 3.752 -12.322 1.00 0.00 N ATOM 0 H HIS A 47 0.740 5.114 -9.533 1.00 0.00 H new ATOM 0 HA HIS A 47 -2.164 4.526 -9.115 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -0.684 5.256 -11.355 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -0.686 3.506 -11.455 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -3.121 6.430 -11.571 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -2.987 2.310 -11.968 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.451 5.701 -12.399 1.00 0.00 H new ATOM 666 N PHE A 48 -1.919 2.154 -8.667 1.00 0.00 N ATOM 667 CA PHE A 48 -1.941 0.805 -8.080 1.00 0.00 C ATOM 668 C PHE A 48 -2.582 -0.195 -9.049 1.00 0.00 C ATOM 669 O PHE A 48 -3.795 -0.223 -9.260 1.00 0.00 O ATOM 670 CB PHE A 48 -2.754 0.847 -6.786 1.00 0.00 C ATOM 671 CG PHE A 48 -1.981 0.222 -5.631 1.00 0.00 C ATOM 672 CD1 PHE A 48 -1.096 1.000 -4.913 1.00 0.00 C ATOM 673 CD2 PHE A 48 -2.141 -1.110 -5.284 1.00 0.00 C ATOM 674 CE1 PHE A 48 -0.376 0.476 -3.853 1.00 0.00 C ATOM 675 CE2 PHE A 48 -1.430 -1.652 -4.229 1.00 0.00 C ATOM 676 CZ PHE A 48 -0.542 -0.862 -3.509 1.00 0.00 C ATOM 0 H PHE A 48 -2.859 2.529 -8.793 1.00 0.00 H new ATOM 0 HA PHE A 48 -0.919 0.486 -7.878 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.004 1.880 -6.543 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -3.695 0.316 -6.927 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -0.963 2.037 -5.183 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -2.827 -1.730 -5.842 1.00 0.00 H new ATOM 0 HE1 PHE A 48 0.309 1.100 -3.298 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -1.565 -2.690 -3.964 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.016 -1.284 -2.687 1.00 0.00 H new ATOM 686 N LYS A 49 -1.716 -1.011 -9.626 1.00 0.00 N ATOM 687 CA LYS A 49 -2.102 -2.048 -10.597 1.00 0.00 C ATOM 688 C LYS A 49 -2.136 -3.420 -9.917 1.00 0.00 C ATOM 689 O LYS A 49 -1.108 -3.917 -9.466 1.00 0.00 O ATOM 690 CB LYS A 49 -1.122 -1.991 -11.769 1.00 0.00 C ATOM 691 CG LYS A 49 -1.815 -1.386 -12.986 1.00 0.00 C ATOM 692 CD LYS A 49 -0.889 -0.609 -13.921 1.00 0.00 C ATOM 693 CE LYS A 49 -1.378 -0.643 -15.375 1.00 0.00 C ATOM 694 NZ LYS A 49 -2.781 -0.238 -15.571 1.00 0.00 N ATOM 0 H LYS A 49 -0.714 -0.980 -9.439 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.107 -1.872 -10.981 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -0.251 -1.394 -11.499 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -0.761 -2.992 -12.004 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -2.293 -2.186 -13.551 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.607 -0.720 -12.644 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.821 0.426 -13.586 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.116 -1.028 -13.867 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.741 0.009 -15.972 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -1.250 -1.654 -15.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.981 -0.162 -16.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -3.410 -0.949 -15.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -2.943 0.683 -15.116 1.00 0.00 H new ATOM 708 N VAL A 50 -3.360 -3.830 -9.596 1.00 0.00 N ATOM 709 CA VAL A 50 -3.628 -5.089 -8.865 1.00 0.00 C ATOM 710 C VAL A 50 -4.279 -6.093 -9.821 1.00 0.00 C ATOM 711 O VAL A 50 -5.460 -6.016 -10.149 1.00 0.00 O ATOM 712 CB VAL A 50 -4.554 -4.898 -7.646 1.00 0.00 C ATOM 713 CG1 VAL A 50 -4.603 -6.154 -6.770 1.00 0.00 C ATOM 714 CG2 VAL A 50 -4.170 -3.705 -6.777 1.00 0.00 C ATOM 0 H VAL A 50 -4.203 -3.306 -9.831 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.670 -5.451 -8.493 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.540 -4.704 -8.068 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.265 -5.980 -5.922 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.977 -6.993 -7.357 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.601 -6.384 -6.407 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.862 -3.628 -5.938 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.156 -3.841 -6.400 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.217 -2.792 -7.371 1.00 0.00 H new ATOM 724 N SER A 51 -3.454 -6.998 -10.309 1.00 0.00 N ATOM 725 CA SER A 51 -3.925 -8.057 -11.217 1.00 0.00 C ATOM 726 C SER A 51 -3.563 -9.427 -10.649 1.00 0.00 C ATOM 727 O SER A 51 -2.801 -9.479 -9.686 1.00 0.00 O ATOM 728 CB SER A 51 -3.289 -7.846 -12.581 1.00 0.00 C ATOM 729 OG SER A 51 -4.318 -8.026 -13.557 1.00 0.00 O ATOM 0 H SER A 51 -2.456 -7.032 -10.101 1.00 0.00 H new ATOM 0 HA SER A 51 -5.009 -8.013 -11.318 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.858 -6.847 -12.655 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.477 -8.556 -12.742 1.00 0.00 H new ATOM 0 HG SER A 51 -4.624 -7.151 -13.875 1.00 0.00 H new ATOM 735 N ALA A 52 -4.139 -10.481 -11.234 1.00 0.00 N ATOM 736 CA ALA A 52 -3.962 -11.889 -10.809 1.00 0.00 C ATOM 737 C ALA A 52 -2.489 -12.210 -10.506 1.00 0.00 C ATOM 738 O ALA A 52 -1.647 -12.236 -11.401 1.00 0.00 O ATOM 739 CB ALA A 52 -4.505 -12.811 -11.905 1.00 0.00 C ATOM 0 H ALA A 52 -4.759 -10.385 -12.038 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.517 -12.049 -9.885 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.379 -13.850 -11.601 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.564 -12.605 -12.063 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.959 -12.635 -12.832 1.00 0.00 H new ATOM 745 N GLN A 53 -2.186 -12.105 -9.211 1.00 0.00 N ATOM 746 CA GLN A 53 -0.814 -12.127 -8.661 1.00 0.00 C ATOM 747 C GLN A 53 0.183 -11.174 -9.359 1.00 0.00 C ATOM 748 O GLN A 53 1.178 -11.613 -9.932 1.00 0.00 O ATOM 749 CB GLN A 53 -0.264 -13.554 -8.673 1.00 0.00 C ATOM 750 CG GLN A 53 -0.767 -14.383 -7.499 1.00 0.00 C ATOM 751 CD GLN A 53 0.294 -15.429 -7.166 1.00 0.00 C ATOM 752 OE1 GLN A 53 1.485 -15.156 -7.052 1.00 0.00 O ATOM 753 NE2 GLN A 53 -0.150 -16.636 -6.921 1.00 0.00 N ATOM 0 H GLN A 53 -2.901 -11.999 -8.491 1.00 0.00 H new ATOM 0 HA GLN A 53 -0.908 -11.757 -7.640 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.548 -14.041 -9.606 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.825 -13.520 -8.650 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -0.956 -13.745 -6.636 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -1.711 -14.866 -7.751 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -1.144 -16.844 -7.021 1.00 0.00 H new ATOM 0 HE22 GLN A 53 0.498 -17.368 -6.630 1.00 0.00 H new ATOM 762 N GLY A 54 0.042 -9.872 -9.088 1.00 0.00 N ATOM 763 CA GLY A 54 0.850 -8.851 -9.792 1.00 0.00 C ATOM 764 C GLY A 54 0.447 -7.433 -9.390 1.00 0.00 C ATOM 765 O GLY A 54 -0.696 -7.029 -9.604 1.00 0.00 O ATOM 0 H GLY A 54 -0.611 -9.497 -8.399 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.906 -9.006 -9.569 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.730 -8.972 -10.869 1.00 0.00 H new ATOM 769 N ILE A 55 1.324 -6.827 -8.599 1.00 0.00 N ATOM 770 CA ILE A 55 1.105 -5.474 -8.050 1.00 0.00 C ATOM 771 C ILE A 55 2.145 -4.515 -8.648 1.00 0.00 C ATOM 772 O ILE A 55 3.343 -4.776 -8.646 1.00 0.00 O ATOM 773 CB ILE A 55 1.181 -5.474 -6.505 1.00 0.00 C ATOM 774 CG1 ILE A 55 0.421 -6.635 -5.831 1.00 0.00 C ATOM 775 CG2 ILE A 55 0.758 -4.123 -5.911 1.00 0.00 C ATOM 776 CD1 ILE A 55 -1.053 -6.800 -6.226 1.00 0.00 C ATOM 0 H ILE A 55 2.208 -7.249 -8.315 1.00 0.00 H new ATOM 0 HA ILE A 55 0.104 -5.140 -8.322 1.00 0.00 H new ATOM 0 HB ILE A 55 2.235 -5.638 -6.279 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.943 -7.564 -6.059 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.473 -6.497 -4.751 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.826 -4.166 -4.824 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.417 -3.339 -6.285 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.269 -3.903 -6.202 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.481 -7.647 -5.689 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.602 -5.893 -5.971 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.124 -6.977 -7.299 1.00 0.00 H new ATOM 788 N THR A 56 1.651 -3.396 -9.150 1.00 0.00 N ATOM 789 CA THR A 56 2.475 -2.333 -9.760 1.00 0.00 C ATOM 790 C THR A 56 2.132 -0.969 -9.180 1.00 0.00 C ATOM 791 O THR A 56 0.978 -0.674 -8.875 1.00 0.00 O ATOM 792 CB THR A 56 2.360 -2.350 -11.291 1.00 0.00 C ATOM 793 OG1 THR A 56 3.087 -3.487 -11.690 1.00 0.00 O ATOM 794 CG2 THR A 56 2.969 -1.176 -12.067 1.00 0.00 C ATOM 0 H THR A 56 0.653 -3.185 -9.152 1.00 0.00 H new ATOM 0 HA THR A 56 3.518 -2.534 -9.514 1.00 0.00 H new ATOM 0 HB THR A 56 1.294 -2.316 -11.515 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.534 -4.287 -11.570 1.00 0.00 H new ATOM 0 HG21 THR A 56 2.811 -1.325 -13.135 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.491 -0.247 -11.756 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.038 -1.120 -11.862 1.00 0.00 H new ATOM 802 N LEU A 57 3.202 -0.200 -9.056 1.00 0.00 N ATOM 803 CA LEU A 57 3.166 1.187 -8.581 1.00 0.00 C ATOM 804 C LEU A 57 3.897 2.133 -9.524 1.00 0.00 C ATOM 805 O LEU A 57 5.110 2.030 -9.694 1.00 0.00 O ATOM 806 CB LEU A 57 3.739 1.237 -7.170 1.00 0.00 C ATOM 807 CG LEU A 57 2.642 0.818 -6.198 1.00 0.00 C ATOM 808 CD1 LEU A 57 3.250 0.261 -4.915 1.00 0.00 C ATOM 809 CD2 LEU A 57 1.787 2.044 -5.901 1.00 0.00 C ATOM 0 H LEU A 57 4.142 -0.523 -9.286 1.00 0.00 H new ATOM 0 HA LEU A 57 2.131 1.530 -8.561 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.598 0.571 -7.084 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.090 2.242 -6.937 1.00 0.00 H new ATOM 0 HG LEU A 57 2.028 0.031 -6.637 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.453 -0.033 -4.232 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.865 -0.608 -5.151 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.868 1.025 -4.443 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.992 1.773 -5.206 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.408 2.822 -5.457 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.349 2.415 -6.827 1.00 0.00 H new ATOM 821 N THR A 58 3.082 2.869 -10.264 1.00 0.00 N ATOM 822 CA THR A 58 3.559 3.849 -11.259 1.00 0.00 C ATOM 823 C THR A 58 3.285 5.277 -10.779 1.00 0.00 C ATOM 824 O THR A 58 2.275 5.551 -10.137 1.00 0.00 O ATOM 825 CB THR A 58 2.862 3.626 -12.610 1.00 0.00 C ATOM 826 OG1 THR A 58 1.446 3.580 -12.425 1.00 0.00 O ATOM 827 CG2 THR A 58 3.351 2.353 -13.302 1.00 0.00 C ATOM 0 H THR A 58 2.066 2.812 -10.200 1.00 0.00 H new ATOM 0 HA THR A 58 4.633 3.710 -11.381 1.00 0.00 H new ATOM 0 HB THR A 58 3.116 4.465 -13.258 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.007 3.439 -13.290 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.832 2.234 -14.253 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.424 2.425 -13.480 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.146 1.492 -12.667 1.00 0.00 H new ATOM 835 N ASP A 59 4.228 6.172 -11.040 1.00 0.00 N ATOM 836 CA ASP A 59 4.061 7.588 -10.680 1.00 0.00 C ATOM 837 C ASP A 59 3.125 8.305 -11.663 1.00 0.00 C ATOM 838 O ASP A 59 3.418 8.421 -12.851 1.00 0.00 O ATOM 839 CB ASP A 59 5.432 8.254 -10.627 1.00 0.00 C ATOM 840 CG ASP A 59 5.349 9.714 -10.197 1.00 0.00 C ATOM 841 OD1 ASP A 59 5.251 9.954 -8.982 1.00 0.00 O ATOM 842 OD2 ASP A 59 5.318 10.573 -11.097 1.00 0.00 O ATOM 0 H ASP A 59 5.113 5.953 -11.496 1.00 0.00 H new ATOM 0 HA ASP A 59 3.595 7.656 -9.697 1.00 0.00 H new ATOM 0 HB2 ASP A 59 6.072 7.709 -9.933 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.902 8.193 -11.609 1.00 0.00 H new ATOM 847 N ASN A 60 2.041 8.823 -11.103 1.00 0.00 N ATOM 848 CA ASN A 60 1.074 9.628 -11.874 1.00 0.00 C ATOM 849 C ASN A 60 1.002 11.100 -11.429 1.00 0.00 C ATOM 850 O ASN A 60 0.354 11.912 -12.080 1.00 0.00 O ATOM 851 CB ASN A 60 -0.303 8.961 -11.812 1.00 0.00 C ATOM 852 CG ASN A 60 -1.134 9.354 -13.035 1.00 0.00 C ATOM 853 OD1 ASN A 60 -2.116 10.077 -12.963 1.00 0.00 O ATOM 854 ND2 ASN A 60 -0.779 8.802 -14.174 1.00 0.00 N ATOM 0 H ASN A 60 1.800 8.706 -10.119 1.00 0.00 H new ATOM 0 HA ASN A 60 1.426 9.658 -12.905 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.189 7.878 -11.773 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.820 9.260 -10.900 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -1.327 8.975 -15.017 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.044 8.201 -14.215 1.00 0.00 H new ATOM 861 N GLN A 61 1.718 11.427 -10.352 1.00 0.00 N ATOM 862 CA GLN A 61 1.777 12.785 -9.790 1.00 0.00 C ATOM 863 C GLN A 61 2.336 13.779 -10.820 1.00 0.00 C ATOM 864 O GLN A 61 1.584 14.575 -11.370 1.00 0.00 O ATOM 865 CB GLN A 61 2.610 12.767 -8.505 1.00 0.00 C ATOM 866 CG GLN A 61 2.439 14.056 -7.696 1.00 0.00 C ATOM 867 CD GLN A 61 3.762 14.801 -7.525 1.00 0.00 C ATOM 868 OE1 GLN A 61 4.743 14.293 -7.001 1.00 0.00 O ATOM 869 NE2 GLN A 61 3.808 16.033 -7.971 1.00 0.00 N ATOM 0 H GLN A 61 2.281 10.751 -9.836 1.00 0.00 H new ATOM 0 HA GLN A 61 0.770 13.120 -9.542 1.00 0.00 H new ATOM 0 HB2 GLN A 61 2.317 11.913 -7.894 1.00 0.00 H new ATOM 0 HB3 GLN A 61 3.662 12.633 -8.756 1.00 0.00 H new ATOM 0 HG2 GLN A 61 1.719 14.705 -8.195 1.00 0.00 H new ATOM 0 HG3 GLN A 61 2.027 13.817 -6.715 1.00 0.00 H new ATOM 0 HE21 GLN A 61 2.985 16.449 -8.407 1.00 0.00 H new ATOM 0 HE22 GLN A 61 4.667 16.576 -7.882 1.00 0.00 H new ATOM 983 N ARG A 67 8.701 3.062 -11.580 1.00 0.00 N ATOM 984 CA ARG A 67 7.646 2.054 -11.404 1.00 0.00 C ATOM 985 C ARG A 67 8.239 0.782 -10.788 1.00 0.00 C ATOM 986 O ARG A 67 9.394 0.427 -11.029 1.00 0.00 O ATOM 987 CB ARG A 67 6.954 1.794 -12.748 1.00 0.00 C ATOM 988 CG ARG A 67 7.851 1.107 -13.781 1.00 0.00 C ATOM 989 CD ARG A 67 7.506 -0.381 -13.875 1.00 0.00 C ATOM 990 NE ARG A 67 6.807 -0.598 -15.150 1.00 0.00 N ATOM 991 CZ ARG A 67 7.395 -0.738 -16.344 1.00 0.00 C ATOM 992 NH1 ARG A 67 8.717 -0.748 -16.475 1.00 0.00 N ATOM 993 NH2 ARG A 67 6.659 -0.873 -17.433 1.00 0.00 N ATOM 0 HA ARG A 67 6.886 2.419 -10.713 1.00 0.00 H new ATOM 0 HB2 ARG A 67 6.072 1.177 -12.579 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.606 2.743 -13.156 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.724 1.579 -14.755 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.898 1.228 -13.502 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.411 -0.987 -13.827 1.00 0.00 H new ATOM 0 HD3 ARG A 67 6.876 -0.681 -13.038 1.00 0.00 H new ATOM 0 HE ARG A 67 5.789 -0.646 -15.122 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.312 -0.647 -15.652 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.137 -0.856 -17.398 1.00 0.00 H new ATOM 0 HH21 ARG A 67 5.641 -0.871 -17.364 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.109 -0.980 -18.342 1.00 0.00 H new ATOM 1007 N ARG A 68 7.436 0.177 -9.931 1.00 0.00 N ATOM 1008 CA ARG A 68 7.786 -1.087 -9.259 1.00 0.00 C ATOM 1009 C ARG A 68 6.735 -2.178 -9.494 1.00 0.00 C ATOM 1010 O ARG A 68 5.563 -1.881 -9.730 1.00 0.00 O ATOM 1011 CB ARG A 68 7.958 -0.821 -7.762 1.00 0.00 C ATOM 1012 CG ARG A 68 9.235 -0.056 -7.398 1.00 0.00 C ATOM 1013 CD ARG A 68 10.481 -0.926 -7.577 1.00 0.00 C ATOM 1014 NE ARG A 68 11.382 -0.695 -6.436 1.00 0.00 N ATOM 1015 CZ ARG A 68 12.479 -1.397 -6.134 1.00 0.00 C ATOM 1016 NH1 ARG A 68 12.902 -2.403 -6.887 1.00 0.00 N ATOM 1017 NH2 ARG A 68 13.176 -1.096 -5.051 1.00 0.00 N ATOM 0 H ARG A 68 6.518 0.539 -9.673 1.00 0.00 H new ATOM 0 HA ARG A 68 8.720 -1.455 -9.684 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.097 -0.257 -7.404 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.957 -1.774 -7.233 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.318 0.833 -8.023 1.00 0.00 H new ATOM 0 HG3 ARG A 68 9.174 0.285 -6.365 1.00 0.00 H new ATOM 0 HD2 ARG A 68 10.203 -1.978 -7.633 1.00 0.00 H new ATOM 0 HD3 ARG A 68 10.984 -0.679 -8.512 1.00 0.00 H new ATOM 0 HE ARG A 68 11.146 0.078 -5.814 1.00 0.00 H new ATOM 0 HH11 ARG A 68 12.386 -2.663 -7.727 1.00 0.00 H new ATOM 0 HH12 ARG A 68 13.744 -2.917 -6.626 1.00 0.00 H new ATOM 0 HH21 ARG A 68 12.876 -0.330 -4.448 1.00 0.00 H new ATOM 0 HH22 ARG A 68 14.013 -1.630 -4.819 1.00 0.00 H new ATOM 1031 N HIS A 69 7.191 -3.424 -9.392 1.00 0.00 N ATOM 1032 CA HIS A 69 6.336 -4.612 -9.577 1.00 0.00 C ATOM 1033 C HIS A 69 6.602 -5.637 -8.465 1.00 0.00 C ATOM 1034 O HIS A 69 7.699 -6.175 -8.329 1.00 0.00 O ATOM 1035 CB HIS A 69 6.557 -5.221 -10.965 1.00 0.00 C ATOM 1036 CG HIS A 69 5.239 -5.626 -11.661 1.00 0.00 C ATOM 1037 ND1 HIS A 69 4.952 -5.373 -12.929 1.00 0.00 N ATOM 1038 CD2 HIS A 69 4.213 -6.272 -11.120 1.00 0.00 C ATOM 1039 CE1 HIS A 69 3.731 -5.873 -13.183 1.00 0.00 C ATOM 1040 NE2 HIS A 69 3.276 -6.422 -12.059 1.00 0.00 N ATOM 0 H HIS A 69 8.163 -3.647 -9.179 1.00 0.00 H new ATOM 0 HA HIS A 69 5.291 -4.309 -9.511 1.00 0.00 H new ATOM 0 HB2 HIS A 69 7.087 -4.503 -11.591 1.00 0.00 H new ATOM 0 HB3 HIS A 69 7.198 -6.098 -10.874 1.00 0.00 H new ATOM 0 HD2 HIS A 69 4.148 -6.616 -10.098 1.00 0.00 H new ATOM 0 HE1 HIS A 69 3.212 -5.836 -14.129 1.00 0.00 H new ATOM 0 HE2 HIS A 69 2.371 -6.877 -11.937 1.00 0.00 H new ATOM 1048 N TYR A 70 5.599 -5.766 -7.612 1.00 0.00 N ATOM 1049 CA TYR A 70 5.602 -6.652 -6.436 1.00 0.00 C ATOM 1050 C TYR A 70 4.570 -7.776 -6.624 1.00 0.00 C ATOM 1051 O TYR A 70 3.379 -7.491 -6.730 1.00 0.00 O ATOM 1052 CB TYR A 70 5.283 -5.841 -5.174 1.00 0.00 C ATOM 1053 CG TYR A 70 6.326 -4.747 -4.942 1.00 0.00 C ATOM 1054 CD1 TYR A 70 7.533 -5.067 -4.335 1.00 0.00 C ATOM 1055 CD2 TYR A 70 6.052 -3.430 -5.299 1.00 0.00 C ATOM 1056 CE1 TYR A 70 8.465 -4.076 -4.075 1.00 0.00 C ATOM 1057 CE2 TYR A 70 6.980 -2.437 -5.031 1.00 0.00 C ATOM 1058 CZ TYR A 70 8.192 -2.760 -4.430 1.00 0.00 C ATOM 1059 OH TYR A 70 9.086 -1.784 -4.142 1.00 0.00 O ATOM 0 H TYR A 70 4.728 -5.245 -7.713 1.00 0.00 H new ATOM 0 HA TYR A 70 6.590 -7.100 -6.326 1.00 0.00 H new ATOM 0 HB2 TYR A 70 4.295 -5.391 -5.268 1.00 0.00 H new ATOM 0 HB3 TYR A 70 5.250 -6.505 -4.310 1.00 0.00 H new ATOM 0 HD1 TYR A 70 7.746 -6.091 -4.065 1.00 0.00 H new ATOM 0 HD2 TYR A 70 5.119 -3.183 -5.783 1.00 0.00 H new ATOM 0 HE1 TYR A 70 9.401 -4.325 -3.598 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.762 -1.411 -5.289 1.00 0.00 H new ATOM 0 HH TYR A 70 8.743 -0.922 -4.458 1.00 0.00 H new ATOM 1069 N PRO A 71 5.011 -9.015 -6.856 1.00 0.00 N ATOM 1070 CA PRO A 71 4.079 -10.154 -6.991 1.00 0.00 C ATOM 1071 C PRO A 71 3.384 -10.417 -5.653 1.00 0.00 C ATOM 1072 O PRO A 71 4.005 -10.302 -4.602 1.00 0.00 O ATOM 1073 CB PRO A 71 4.945 -11.324 -7.458 1.00 0.00 C ATOM 1074 CG PRO A 71 6.358 -10.975 -6.987 1.00 0.00 C ATOM 1075 CD PRO A 71 6.414 -9.446 -7.008 1.00 0.00 C ATOM 0 HA PRO A 71 3.275 -9.974 -7.705 1.00 0.00 H new ATOM 0 HB2 PRO A 71 4.605 -12.265 -7.026 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.906 -11.438 -8.541 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.548 -11.364 -5.986 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.112 -11.407 -7.645 1.00 0.00 H new ATOM 0 HD2 PRO A 71 7.036 -9.062 -6.199 1.00 0.00 H new ATOM 0 HD3 PRO A 71 6.842 -9.079 -7.941 1.00 0.00 H new ATOM 1083 N LEU A 72 2.134 -10.861 -5.711 1.00 0.00 N ATOM 1084 CA LEU A 72 1.336 -11.158 -4.500 1.00 0.00 C ATOM 1085 C LEU A 72 1.972 -12.228 -3.588 1.00 0.00 C ATOM 1086 O LEU A 72 1.777 -12.190 -2.378 1.00 0.00 O ATOM 1087 CB LEU A 72 -0.066 -11.566 -4.942 1.00 0.00 C ATOM 1088 CG LEU A 72 -1.164 -11.172 -3.953 1.00 0.00 C ATOM 1089 CD1 LEU A 72 -1.421 -9.661 -3.938 1.00 0.00 C ATOM 1090 CD2 LEU A 72 -2.433 -11.909 -4.361 1.00 0.00 C ATOM 0 H LEU A 72 1.637 -11.028 -6.586 1.00 0.00 H new ATOM 0 HA LEU A 72 1.298 -10.257 -3.888 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.279 -11.109 -5.908 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -0.091 -12.646 -5.087 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.849 -11.444 -2.946 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.209 -9.433 -3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.508 -9.139 -3.652 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.730 -9.335 -4.931 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -3.240 -11.651 -3.675 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -2.712 -11.620 -5.374 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -2.257 -12.984 -4.326 1.00 0.00 H new ATOM 1102 N ASN A 73 2.904 -13.001 -4.162 1.00 0.00 N ATOM 1103 CA ASN A 73 3.786 -13.946 -3.442 1.00 0.00 C ATOM 1104 C ASN A 73 4.517 -13.255 -2.271 1.00 0.00 C ATOM 1105 O ASN A 73 4.781 -13.854 -1.233 1.00 0.00 O ATOM 1106 CB ASN A 73 4.773 -14.560 -4.462 1.00 0.00 C ATOM 1107 CG ASN A 73 6.275 -14.432 -4.148 1.00 0.00 C ATOM 1108 OD1 ASN A 73 6.796 -14.927 -3.160 1.00 0.00 O ATOM 1109 ND2 ASN A 73 7.007 -13.702 -4.956 1.00 0.00 N ATOM 0 H ASN A 73 3.074 -12.990 -5.168 1.00 0.00 H new ATOM 0 HA ASN A 73 3.191 -14.742 -2.994 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.538 -15.619 -4.565 1.00 0.00 H new ATOM 0 HB3 ASN A 73 4.589 -14.097 -5.432 1.00 0.00 H new ATOM 0 HD21 ASN A 73 7.996 -13.555 -4.755 1.00 0.00 H new ATOM 0 HD22 ASN A 73 6.587 -13.282 -5.785 1.00 0.00 H new ATOM 1116 N THR A 74 4.880 -12.003 -2.530 1.00 0.00 N ATOM 1117 CA THR A 74 5.629 -11.136 -1.599 1.00 0.00 C ATOM 1118 C THR A 74 4.660 -10.490 -0.604 1.00 0.00 C ATOM 1119 O THR A 74 4.861 -10.605 0.599 1.00 0.00 O ATOM 1120 CB THR A 74 6.452 -10.054 -2.328 1.00 0.00 C ATOM 1121 OG1 THR A 74 5.652 -8.968 -2.807 1.00 0.00 O ATOM 1122 CG2 THR A 74 7.203 -10.650 -3.518 1.00 0.00 C ATOM 0 H THR A 74 4.660 -11.542 -3.413 1.00 0.00 H new ATOM 0 HA THR A 74 6.341 -11.766 -1.066 1.00 0.00 H new ATOM 0 HB THR A 74 7.149 -9.668 -1.585 1.00 0.00 H new ATOM 0 HG1 THR A 74 5.020 -9.299 -3.479 1.00 0.00 H new ATOM 0 HG21 THR A 74 7.776 -9.867 -4.016 1.00 0.00 H new ATOM 0 HG22 THR A 74 7.881 -11.429 -3.168 1.00 0.00 H new ATOM 0 HG23 THR A 74 6.489 -11.080 -4.221 1.00 0.00 H new ATOM 1130 N VAL A 75 3.573 -9.920 -1.122 1.00 0.00 N ATOM 1131 CA VAL A 75 2.538 -9.238 -0.325 1.00 0.00 C ATOM 1132 C VAL A 75 1.694 -10.314 0.385 1.00 0.00 C ATOM 1133 O VAL A 75 0.575 -10.636 -0.004 1.00 0.00 O ATOM 1134 CB VAL A 75 1.711 -8.293 -1.224 1.00 0.00 C ATOM 1135 CG1 VAL A 75 0.628 -7.561 -0.431 1.00 0.00 C ATOM 1136 CG2 VAL A 75 2.588 -7.234 -1.902 1.00 0.00 C ATOM 0 H VAL A 75 3.378 -9.916 -2.123 1.00 0.00 H new ATOM 0 HA VAL A 75 2.979 -8.602 0.442 1.00 0.00 H new ATOM 0 HB VAL A 75 1.253 -8.932 -1.979 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.068 -6.906 -1.099 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.050 -8.288 0.016 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.092 -6.966 0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 75 1.966 -6.591 -2.525 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.085 -6.632 -1.141 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.337 -7.725 -2.523 1.00 0.00 H new ATOM 1146 N THR A 76 2.294 -10.831 1.449 1.00 0.00 N ATOM 1147 CA THR A 76 1.717 -11.862 2.338 1.00 0.00 C ATOM 1148 C THR A 76 0.427 -11.349 2.990 1.00 0.00 C ATOM 1149 O THR A 76 -0.532 -12.089 3.194 1.00 0.00 O ATOM 1150 CB THR A 76 2.712 -12.285 3.435 1.00 0.00 C ATOM 1151 OG1 THR A 76 3.041 -11.182 4.288 1.00 0.00 O ATOM 1152 CG2 THR A 76 3.986 -12.893 2.842 1.00 0.00 C ATOM 0 H THR A 76 3.229 -10.542 1.737 1.00 0.00 H new ATOM 0 HA THR A 76 1.493 -12.733 1.722 1.00 0.00 H new ATOM 0 HB THR A 76 2.219 -13.052 4.032 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.673 -11.478 4.976 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.662 -13.178 3.648 1.00 0.00 H new ATOM 0 HG22 THR A 76 3.729 -13.774 2.254 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.475 -12.160 2.201 1.00 0.00 H new ATOM 1160 N PHE A 77 0.465 -10.063 3.329 1.00 0.00 N ATOM 1161 CA PHE A 77 -0.668 -9.334 3.908 1.00 0.00 C ATOM 1162 C PHE A 77 -0.810 -7.962 3.255 1.00 0.00 C ATOM 1163 O PHE A 77 0.114 -7.151 3.306 1.00 0.00 O ATOM 1164 CB PHE A 77 -0.384 -9.143 5.394 1.00 0.00 C ATOM 1165 CG PHE A 77 -1.495 -9.649 6.289 1.00 0.00 C ATOM 1166 CD1 PHE A 77 -1.929 -10.965 6.213 1.00 0.00 C ATOM 1167 CD2 PHE A 77 -2.024 -8.779 7.231 1.00 0.00 C ATOM 1168 CE1 PHE A 77 -2.909 -11.408 7.081 1.00 0.00 C ATOM 1169 CE2 PHE A 77 -3.003 -9.220 8.099 1.00 0.00 C ATOM 1170 CZ PHE A 77 -3.449 -10.538 8.027 1.00 0.00 C ATOM 0 H PHE A 77 1.297 -9.485 3.208 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.589 -9.895 3.747 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.541 -9.660 5.649 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.222 -8.083 5.592 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.505 -11.637 5.482 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -1.671 -7.760 7.285 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.257 -12.429 7.026 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -3.422 -8.546 8.831 1.00 0.00 H new ATOM 0 HZ PHE A 77 -4.214 -10.886 8.705 1.00 0.00 H new ATOM 1180 N CYS A 78 -2.037 -7.693 2.836 1.00 0.00 N ATOM 1181 CA CYS A 78 -2.423 -6.434 2.178 1.00 0.00 C ATOM 1182 C CYS A 78 -3.641 -5.808 2.870 1.00 0.00 C ATOM 1183 O CYS A 78 -4.789 -6.173 2.629 1.00 0.00 O ATOM 1184 CB CYS A 78 -2.655 -6.701 0.687 1.00 0.00 C ATOM 1185 SG CYS A 78 -3.664 -8.183 0.305 1.00 0.00 S ATOM 0 H CYS A 78 -2.812 -8.348 2.941 1.00 0.00 H new ATOM 0 HA CYS A 78 -1.619 -5.703 2.266 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -3.140 -5.829 0.250 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -1.686 -6.805 0.198 1.00 0.00 H new ATOM 0 HG CYS A 78 -4.897 -7.972 0.660 1.00 0.00 H new ATOM 1191 N ASP A 79 -3.323 -5.030 3.899 1.00 0.00 N ATOM 1192 CA ASP A 79 -4.346 -4.378 4.736 1.00 0.00 C ATOM 1193 C ASP A 79 -4.006 -2.904 5.022 1.00 0.00 C ATOM 1194 O ASP A 79 -2.947 -2.405 4.646 1.00 0.00 O ATOM 1195 CB ASP A 79 -4.529 -5.226 5.998 1.00 0.00 C ATOM 1196 CG ASP A 79 -5.995 -5.457 6.369 1.00 0.00 C ATOM 1197 OD1 ASP A 79 -6.669 -6.189 5.616 1.00 0.00 O ATOM 1198 OD2 ASP A 79 -6.396 -4.906 7.415 1.00 0.00 O ATOM 0 H ASP A 79 -2.363 -4.830 4.181 1.00 0.00 H new ATOM 0 HA ASP A 79 -5.298 -4.332 4.207 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.043 -6.191 5.852 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.024 -4.737 6.831 1.00 0.00 H new ATOM 1203 N LEU A 80 -4.987 -2.178 5.547 1.00 0.00 N ATOM 1204 CA LEU A 80 -4.799 -0.763 5.915 1.00 0.00 C ATOM 1205 C LEU A 80 -4.735 -0.646 7.429 1.00 0.00 C ATOM 1206 O LEU A 80 -5.091 -1.600 8.121 1.00 0.00 O ATOM 1207 CB LEU A 80 -5.894 0.173 5.386 1.00 0.00 C ATOM 1208 CG LEU A 80 -7.211 0.260 6.142 1.00 0.00 C ATOM 1209 CD1 LEU A 80 -7.843 1.614 5.828 1.00 0.00 C ATOM 1210 CD2 LEU A 80 -8.132 -0.882 5.725 1.00 0.00 C ATOM 0 H LEU A 80 -5.924 -2.538 5.731 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.868 -0.445 5.447 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.474 1.178 5.337 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.120 -0.128 4.363 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.044 0.171 7.215 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -8.791 1.705 6.358 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -7.172 2.412 6.147 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.018 1.694 4.755 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -9.072 -0.810 6.272 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.329 -0.818 4.655 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.654 -1.835 5.949 1.00 0.00 H new ATOM 1222 N ASP A 81 -4.125 0.445 7.894 1.00 0.00 N ATOM 1223 CA ASP A 81 -4.029 0.748 9.332 1.00 0.00 C ATOM 1224 C ASP A 81 -5.269 0.217 10.092 1.00 0.00 C ATOM 1225 O ASP A 81 -6.382 0.570 9.702 1.00 0.00 O ATOM 1226 CB ASP A 81 -3.845 2.258 9.516 1.00 0.00 C ATOM 1227 CG ASP A 81 -5.119 3.098 9.516 1.00 0.00 C ATOM 1228 OD1 ASP A 81 -5.717 3.086 10.605 1.00 0.00 O ATOM 1229 OD2 ASP A 81 -5.349 3.872 8.566 1.00 0.00 O ATOM 0 H ASP A 81 -3.685 1.142 7.294 1.00 0.00 H new ATOM 0 HA ASP A 81 -3.163 0.241 9.756 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.323 2.427 10.458 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.194 2.623 8.721 1.00 0.00 H new ATOM 1234 N PRO A 82 -5.087 -0.753 10.993 1.00 0.00 N ATOM 1235 CA PRO A 82 -6.205 -1.305 11.780 1.00 0.00 C ATOM 1236 C PRO A 82 -6.804 -0.283 12.759 1.00 0.00 C ATOM 1237 O PRO A 82 -7.849 -0.528 13.352 1.00 0.00 O ATOM 1238 CB PRO A 82 -5.625 -2.546 12.460 1.00 0.00 C ATOM 1239 CG PRO A 82 -4.140 -2.219 12.612 1.00 0.00 C ATOM 1240 CD PRO A 82 -3.810 -1.391 11.368 1.00 0.00 C ATOM 0 HA PRO A 82 -7.059 -1.565 11.154 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -6.095 -2.729 13.426 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.778 -3.441 11.857 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.947 -1.658 13.527 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.535 -3.125 12.660 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.043 -0.646 11.580 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.430 -2.020 10.563 1.00 0.00 H new ATOM 1248 N GLN A 83 -6.067 0.808 12.982 1.00 0.00 N ATOM 1249 CA GLN A 83 -6.514 1.938 13.808 1.00 0.00 C ATOM 1250 C GLN A 83 -7.602 2.756 13.083 1.00 0.00 C ATOM 1251 O GLN A 83 -8.732 2.294 12.966 1.00 0.00 O ATOM 1252 CB GLN A 83 -5.291 2.762 14.241 1.00 0.00 C ATOM 1253 CG GLN A 83 -4.432 1.990 15.244 1.00 0.00 C ATOM 1254 CD GLN A 83 -3.893 2.945 16.306 1.00 0.00 C ATOM 1255 OE1 GLN A 83 -2.757 3.398 16.273 1.00 0.00 O ATOM 1256 NE2 GLN A 83 -4.725 3.250 17.276 1.00 0.00 N ATOM 0 H GLN A 83 -5.133 0.935 12.591 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.993 1.577 14.718 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -4.693 3.017 13.366 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -5.621 3.701 14.687 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -5.023 1.205 15.715 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -3.606 1.501 14.728 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -5.667 2.859 17.281 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -4.429 3.877 18.024 1.00 0.00 H new ATOM 1265 N GLU A 84 -7.250 3.964 12.636 1.00 0.00 N ATOM 1266 CA GLU A 84 -8.109 4.940 11.921 1.00 0.00 C ATOM 1267 C GLU A 84 -7.349 6.242 11.572 1.00 0.00 C ATOM 1268 O GLU A 84 -7.900 7.341 11.571 1.00 0.00 O ATOM 1269 CB GLU A 84 -9.380 5.260 12.729 1.00 0.00 C ATOM 1270 CG GLU A 84 -9.050 5.442 14.216 1.00 0.00 C ATOM 1271 CD GLU A 84 -9.967 6.432 14.909 1.00 0.00 C ATOM 1272 OE1 GLU A 84 -9.778 7.635 14.633 1.00 0.00 O ATOM 1273 OE2 GLU A 84 -10.760 5.971 15.756 1.00 0.00 O ATOM 0 H GLU A 84 -6.302 4.318 12.766 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.403 4.470 10.983 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.844 6.167 12.341 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.105 4.455 12.609 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.119 4.477 14.719 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.018 5.780 14.315 1.00 0.00 H new ATOM 1280 N ARG A 85 -6.057 6.086 11.292 1.00 0.00 N ATOM 1281 CA ARG A 85 -5.158 7.205 10.950 1.00 0.00 C ATOM 1282 C ARG A 85 -5.422 7.681 9.515 1.00 0.00 C ATOM 1283 O ARG A 85 -5.990 6.952 8.699 1.00 0.00 O ATOM 1284 CB ARG A 85 -3.706 6.740 11.070 1.00 0.00 C ATOM 1285 CG ARG A 85 -3.176 6.635 12.503 1.00 0.00 C ATOM 1286 CD ARG A 85 -2.730 7.988 13.069 1.00 0.00 C ATOM 1287 NE ARG A 85 -1.873 7.753 14.245 1.00 0.00 N ATOM 1288 CZ ARG A 85 -2.277 7.494 15.493 1.00 0.00 C ATOM 1289 NH1 ARG A 85 -3.559 7.521 15.832 1.00 0.00 N ATOM 1290 NH2 ARG A 85 -1.385 7.248 16.439 1.00 0.00 N ATOM 0 H ARG A 85 -5.594 5.177 11.294 1.00 0.00 H new ATOM 0 HA ARG A 85 -5.343 8.031 11.636 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -3.612 5.765 10.592 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.072 7.431 10.514 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -3.952 6.216 13.143 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -2.335 5.941 12.525 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -2.185 8.552 12.312 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -3.598 8.585 13.348 1.00 0.00 H new ATOM 0 HE ARG A 85 -0.866 7.792 14.090 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -4.267 7.744 15.132 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -3.837 7.319 16.792 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -0.390 7.256 16.216 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -1.693 7.050 17.391 1.00 0.00 H new ATOM 1304 N LYS A 86 -4.888 8.858 9.209 1.00 0.00 N ATOM 1305 CA LYS A 86 -5.039 9.495 7.889 1.00 0.00 C ATOM 1306 C LYS A 86 -3.806 10.336 7.533 1.00 0.00 C ATOM 1307 O LYS A 86 -3.022 10.678 8.414 1.00 0.00 O ATOM 1308 CB LYS A 86 -6.293 10.349 7.800 1.00 0.00 C ATOM 1309 CG LYS A 86 -7.591 9.570 7.575 1.00 0.00 C ATOM 1310 CD LYS A 86 -8.356 9.372 8.880 1.00 0.00 C ATOM 1311 CE LYS A 86 -9.857 9.463 8.616 1.00 0.00 C ATOM 1312 NZ LYS A 86 -10.606 9.221 9.854 1.00 0.00 N ATOM 0 H LYS A 86 -4.334 9.406 9.867 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.136 8.685 7.166 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.388 10.926 8.720 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.170 11.064 6.987 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.218 10.104 6.861 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.363 8.599 7.135 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.111 8.402 9.312 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.058 10.129 9.606 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -10.105 10.448 8.219 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.145 8.733 7.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.626 9.286 9.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.382 8.272 10.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.342 9.933 10.564 1.00 0.00 H new ATOM 1326 N TRP A 87 -3.530 10.376 6.233 1.00 0.00 N ATOM 1327 CA TRP A 87 -2.414 11.168 5.682 1.00 0.00 C ATOM 1328 C TRP A 87 -2.888 11.900 4.414 1.00 0.00 C ATOM 1329 O TRP A 87 -3.778 12.745 4.507 1.00 0.00 O ATOM 1330 CB TRP A 87 -1.181 10.266 5.477 1.00 0.00 C ATOM 1331 CG TRP A 87 0.107 11.011 5.082 1.00 0.00 C ATOM 1332 CD1 TRP A 87 0.250 12.204 4.493 1.00 0.00 C ATOM 1333 CD2 TRP A 87 1.381 10.528 5.285 1.00 0.00 C ATOM 1334 NE1 TRP A 87 1.538 12.465 4.296 1.00 0.00 N ATOM 1335 CE2 TRP A 87 2.264 11.466 4.761 1.00 0.00 C ATOM 1336 CE3 TRP A 87 1.867 9.385 5.892 1.00 0.00 C ATOM 1337 CZ2 TRP A 87 3.633 11.256 4.840 1.00 0.00 C ATOM 1338 CZ3 TRP A 87 3.232 9.178 5.969 1.00 0.00 C ATOM 1339 CH2 TRP A 87 4.120 10.105 5.439 1.00 0.00 C ATOM 0 H TRP A 87 -4.064 9.867 5.529 1.00 0.00 H new ATOM 0 HA TRP A 87 -2.097 11.942 6.381 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -0.996 9.713 6.398 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -1.410 9.532 4.705 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -0.563 12.859 4.218 1.00 0.00 H new ATOM 0 HE1 TRP A 87 1.908 13.307 3.854 1.00 0.00 H new ATOM 0 HE3 TRP A 87 1.184 8.657 6.304 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 4.317 11.987 4.436 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 3.611 8.286 6.446 1.00 0.00 H new ATOM 0 HH2 TRP A 87 5.184 9.930 5.493 1.00 0.00 H new ATOM 1437 N PRO A 95 -8.394 14.534 5.300 1.00 0.00 N ATOM 1438 CA PRO A 95 -7.593 13.346 5.620 1.00 0.00 C ATOM 1439 C PRO A 95 -7.991 12.183 4.701 1.00 0.00 C ATOM 1440 O PRO A 95 -9.095 12.148 4.157 1.00 0.00 O ATOM 1441 CB PRO A 95 -7.908 13.133 7.099 1.00 0.00 C ATOM 1442 CG PRO A 95 -9.369 13.536 7.245 1.00 0.00 C ATOM 1443 CD PRO A 95 -9.451 14.745 6.320 1.00 0.00 C ATOM 0 HA PRO A 95 -6.519 13.440 5.459 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -7.753 12.095 7.391 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -7.264 13.742 7.733 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.046 12.739 6.938 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -9.622 13.790 8.274 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -10.435 14.819 5.857 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.287 15.672 6.870 1.00 0.00 H new ATOM 1451 N ALA A 96 -7.010 11.349 4.385 1.00 0.00 N ATOM 1452 CA ALA A 96 -7.273 10.147 3.578 1.00 0.00 C ATOM 1453 C ALA A 96 -6.632 8.906 4.184 1.00 0.00 C ATOM 1454 O ALA A 96 -5.442 8.887 4.509 1.00 0.00 O ATOM 1455 CB ALA A 96 -6.815 10.337 2.139 1.00 0.00 C ATOM 0 H ALA A 96 -6.037 11.472 4.666 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.352 9.995 3.577 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.023 9.432 1.568 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.350 11.177 1.695 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.744 10.539 2.122 1.00 0.00 H new ATOM 1461 N LYS A 97 -7.520 7.948 4.437 1.00 0.00 N ATOM 1462 CA LYS A 97 -7.145 6.646 5.009 1.00 0.00 C ATOM 1463 C LYS A 97 -6.015 5.992 4.222 1.00 0.00 C ATOM 1464 O LYS A 97 -6.039 5.906 2.996 1.00 0.00 O ATOM 1465 CB LYS A 97 -8.336 5.690 5.089 1.00 0.00 C ATOM 1466 CG LYS A 97 -9.079 5.900 6.409 1.00 0.00 C ATOM 1467 CD LYS A 97 -9.981 4.707 6.727 1.00 0.00 C ATOM 1468 CE LYS A 97 -11.437 4.969 6.341 1.00 0.00 C ATOM 1469 NZ LYS A 97 -11.986 3.860 5.550 1.00 0.00 N ATOM 0 H LYS A 97 -8.519 8.046 4.254 1.00 0.00 H new ATOM 0 HA LYS A 97 -6.797 6.847 6.022 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.010 5.863 4.250 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -7.992 4.658 5.015 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -8.360 6.042 7.216 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -9.678 6.809 6.352 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -9.618 3.827 6.196 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.923 4.483 7.792 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -12.035 5.107 7.242 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -11.503 5.894 5.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -12.975 4.066 5.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.428 3.745 4.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.944 2.982 6.107 1.00 0.00 H new ATOM 1483 N LEU A 98 -5.032 5.566 4.988 1.00 0.00 N ATOM 1484 CA LEU A 98 -3.812 4.968 4.437 1.00 0.00 C ATOM 1485 C LEU A 98 -3.710 3.482 4.788 1.00 0.00 C ATOM 1486 O LEU A 98 -4.275 2.996 5.771 1.00 0.00 O ATOM 1487 CB LEU A 98 -2.535 5.758 4.798 1.00 0.00 C ATOM 1488 CG LEU A 98 -2.189 6.123 6.246 1.00 0.00 C ATOM 1489 CD1 LEU A 98 -3.094 7.211 6.769 1.00 0.00 C ATOM 1490 CD2 LEU A 98 -2.361 4.970 7.210 1.00 0.00 C ATOM 0 H LEU A 98 -5.046 5.620 6.006 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.891 5.035 3.352 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.692 5.189 4.407 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.575 6.693 4.239 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.145 6.433 6.202 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -2.823 7.447 7.798 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.985 8.103 6.152 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -4.129 6.871 6.736 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.100 5.296 8.217 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.398 4.635 7.195 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.709 4.148 6.914 1.00 0.00 H new ATOM 1502 N PHE A 99 -3.007 2.783 3.918 1.00 0.00 N ATOM 1503 CA PHE A 99 -2.800 1.341 4.034 1.00 0.00 C ATOM 1504 C PHE A 99 -1.337 0.945 3.846 1.00 0.00 C ATOM 1505 O PHE A 99 -0.566 1.663 3.207 1.00 0.00 O ATOM 1506 CB PHE A 99 -3.720 0.624 3.041 1.00 0.00 C ATOM 1507 CG PHE A 99 -3.251 0.591 1.612 1.00 0.00 C ATOM 1508 CD1 PHE A 99 -3.567 1.627 0.745 1.00 0.00 C ATOM 1509 CD2 PHE A 99 -2.509 -0.511 1.210 1.00 0.00 C ATOM 1510 CE1 PHE A 99 -3.123 1.554 -0.557 1.00 0.00 C ATOM 1511 CE2 PHE A 99 -2.068 -0.578 -0.091 1.00 0.00 C ATOM 1512 CZ PHE A 99 -2.378 0.454 -0.973 1.00 0.00 C ATOM 0 H PHE A 99 -2.557 3.198 3.102 1.00 0.00 H new ATOM 0 HA PHE A 99 -3.057 1.032 5.047 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.859 -0.402 3.381 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.698 1.104 3.070 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.148 2.472 1.083 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -2.282 -1.303 1.908 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -3.352 2.348 -1.253 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.486 -1.424 -0.426 1.00 0.00 H new ATOM 0 HZ PHE A 99 -2.035 0.400 -1.996 1.00 0.00 H new ATOM 1522 N GLY A 100 -1.037 -0.216 4.428 1.00 0.00 N ATOM 1523 CA GLY A 100 0.297 -0.820 4.346 1.00 0.00 C ATOM 1524 C GLY A 100 0.244 -2.339 4.213 1.00 0.00 C ATOM 1525 O GLY A 100 -0.420 -3.023 4.990 1.00 0.00 O ATOM 0 H GLY A 100 -1.707 -0.764 4.968 1.00 0.00 H new ATOM 0 HA2 GLY A 100 0.829 -0.402 3.492 1.00 0.00 H new ATOM 0 HA3 GLY A 100 0.867 -0.556 5.237 1.00 0.00 H new ATOM 1529 N PHE A 101 1.110 -2.841 3.351 1.00 0.00 N ATOM 1530 CA PHE A 101 1.242 -4.291 3.146 1.00 0.00 C ATOM 1531 C PHE A 101 2.655 -4.775 3.488 1.00 0.00 C ATOM 1532 O PHE A 101 3.626 -4.028 3.369 1.00 0.00 O ATOM 1533 CB PHE A 101 0.854 -4.669 1.711 1.00 0.00 C ATOM 1534 CG PHE A 101 1.697 -3.988 0.643 1.00 0.00 C ATOM 1535 CD1 PHE A 101 2.973 -4.449 0.339 1.00 0.00 C ATOM 1536 CD2 PHE A 101 1.196 -2.851 0.020 1.00 0.00 C ATOM 1537 CE1 PHE A 101 3.748 -3.776 -0.589 1.00 0.00 C ATOM 1538 CE2 PHE A 101 1.968 -2.187 -0.912 1.00 0.00 C ATOM 1539 CZ PHE A 101 3.244 -2.645 -1.225 1.00 0.00 C ATOM 0 H PHE A 101 1.736 -2.275 2.778 1.00 0.00 H new ATOM 0 HA PHE A 101 0.554 -4.794 3.826 1.00 0.00 H new ATOM 0 HB2 PHE A 101 0.941 -5.749 1.594 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.194 -4.415 1.550 1.00 0.00 H new ATOM 0 HD1 PHE A 101 3.359 -5.332 0.827 1.00 0.00 H new ATOM 0 HD2 PHE A 101 0.208 -2.489 0.264 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.743 -4.128 -0.820 1.00 0.00 H new ATOM 0 HE2 PHE A 101 1.579 -1.306 -1.401 1.00 0.00 H new ATOM 0 HZ PHE A 101 3.841 -2.125 -1.959 1.00 0.00 H new ATOM 1549 N VAL A 102 2.725 -6.041 3.879 1.00 0.00 N ATOM 1550 CA VAL A 102 4.009 -6.721 4.152 1.00 0.00 C ATOM 1551 C VAL A 102 4.458 -7.602 2.987 1.00 0.00 C ATOM 1552 O VAL A 102 3.775 -8.543 2.590 1.00 0.00 O ATOM 1553 CB VAL A 102 4.088 -7.501 5.474 1.00 0.00 C ATOM 1554 CG1 VAL A 102 4.371 -6.529 6.609 1.00 0.00 C ATOM 1555 CG2 VAL A 102 2.840 -8.309 5.817 1.00 0.00 C ATOM 0 H VAL A 102 1.906 -6.632 4.019 1.00 0.00 H new ATOM 0 HA VAL A 102 4.705 -5.890 4.268 1.00 0.00 H new ATOM 0 HB VAL A 102 4.891 -8.226 5.344 1.00 0.00 H new ATOM 0 HG11 VAL A 102 4.428 -7.076 7.550 1.00 0.00 H new ATOM 0 HG12 VAL A 102 5.318 -6.021 6.426 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.570 -5.792 6.665 1.00 0.00 H new ATOM 0 HG21 VAL A 102 2.990 -8.824 6.766 1.00 0.00 H new ATOM 0 HG22 VAL A 102 1.984 -7.639 5.899 1.00 0.00 H new ATOM 0 HG23 VAL A 102 2.654 -9.041 5.032 1.00 0.00 H new ATOM 1565 N ALA A 103 5.554 -7.148 2.390 1.00 0.00 N ATOM 1566 CA ALA A 103 6.176 -7.813 1.234 1.00 0.00 C ATOM 1567 C ALA A 103 7.396 -8.644 1.662 1.00 0.00 C ATOM 1568 O ALA A 103 8.414 -8.110 2.108 1.00 0.00 O ATOM 1569 CB ALA A 103 6.550 -6.768 0.177 1.00 0.00 C ATOM 0 H ALA A 103 6.044 -6.305 2.690 1.00 0.00 H new ATOM 0 HA ALA A 103 5.457 -8.506 0.797 1.00 0.00 H new ATOM 0 HB1 ALA A 103 7.010 -7.264 -0.678 1.00 0.00 H new ATOM 0 HB2 ALA A 103 5.652 -6.242 -0.149 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.254 -6.054 0.605 1.00 0.00 H new ATOM 1575 N ARG A 104 7.191 -9.956 1.605 1.00 0.00 N ATOM 1576 CA ARG A 104 8.178 -11.006 1.906 1.00 0.00 C ATOM 1577 C ARG A 104 8.734 -11.553 0.585 1.00 0.00 C ATOM 1578 O ARG A 104 8.499 -12.677 0.145 1.00 0.00 O ATOM 1579 CB ARG A 104 7.498 -12.092 2.756 1.00 0.00 C ATOM 1580 CG ARG A 104 8.444 -13.163 3.315 1.00 0.00 C ATOM 1581 CD ARG A 104 8.308 -14.466 2.525 1.00 0.00 C ATOM 1582 NE ARG A 104 7.934 -15.561 3.429 1.00 0.00 N ATOM 1583 CZ ARG A 104 7.487 -16.766 3.065 1.00 0.00 C ATOM 1584 NH1 ARG A 104 7.244 -17.081 1.797 1.00 0.00 N ATOM 1585 NH2 ARG A 104 7.220 -17.662 3.999 1.00 0.00 N ATOM 0 H ARG A 104 6.287 -10.343 1.334 1.00 0.00 H new ATOM 0 HA ARG A 104 9.018 -10.615 2.480 1.00 0.00 H new ATOM 0 HB2 ARG A 104 6.984 -11.612 3.589 1.00 0.00 H new ATOM 0 HB3 ARG A 104 6.735 -12.582 2.151 1.00 0.00 H new ATOM 0 HG2 ARG A 104 9.473 -12.808 3.267 1.00 0.00 H new ATOM 0 HG3 ARG A 104 8.218 -13.343 4.366 1.00 0.00 H new ATOM 0 HD2 ARG A 104 7.554 -14.352 1.746 1.00 0.00 H new ATOM 0 HD3 ARG A 104 9.249 -14.699 2.027 1.00 0.00 H new ATOM 0 HE ARG A 104 8.024 -15.385 4.430 1.00 0.00 H new ATOM 0 HH11 ARG A 104 7.398 -16.391 1.062 1.00 0.00 H new ATOM 0 HH12 ARG A 104 6.903 -18.013 1.559 1.00 0.00 H new ATOM 0 HH21 ARG A 104 7.356 -17.429 4.983 1.00 0.00 H new ATOM 0 HH22 ARG A 104 6.878 -18.586 3.736 1.00 0.00 H new ATOM 1684 N ASP A 111 13.025 -10.398 6.845 1.00 0.00 N ATOM 1685 CA ASP A 111 12.851 -8.933 6.738 1.00 0.00 C ATOM 1686 C ASP A 111 11.830 -8.564 5.649 1.00 0.00 C ATOM 1687 O ASP A 111 12.031 -8.794 4.465 1.00 0.00 O ATOM 1688 CB ASP A 111 14.218 -8.253 6.516 1.00 0.00 C ATOM 1689 CG ASP A 111 14.195 -6.804 5.998 1.00 0.00 C ATOM 1690 OD1 ASP A 111 13.177 -6.114 6.242 1.00 0.00 O ATOM 1691 OD2 ASP A 111 15.155 -6.439 5.292 1.00 0.00 O ATOM 0 HA ASP A 111 12.442 -8.560 7.677 1.00 0.00 H new ATOM 0 HB2 ASP A 111 14.762 -8.268 7.460 1.00 0.00 H new ATOM 0 HB3 ASP A 111 14.788 -8.857 5.810 1.00 0.00 H new ATOM 1696 N ASN A 112 10.719 -7.997 6.086 1.00 0.00 N ATOM 1697 CA ASN A 112 9.703 -7.453 5.168 1.00 0.00 C ATOM 1698 C ASN A 112 9.698 -5.927 5.139 1.00 0.00 C ATOM 1699 O ASN A 112 9.997 -5.283 6.143 1.00 0.00 O ATOM 1700 CB ASN A 112 8.318 -7.957 5.572 1.00 0.00 C ATOM 1701 CG ASN A 112 8.010 -9.328 4.974 1.00 0.00 C ATOM 1702 OD1 ASN A 112 6.889 -9.582 4.564 1.00 0.00 O ATOM 1703 ND2 ASN A 112 8.978 -10.222 4.922 1.00 0.00 N ATOM 0 H ASN A 112 10.486 -7.896 7.074 1.00 0.00 H new ATOM 0 HA ASN A 112 9.957 -7.800 4.166 1.00 0.00 H new ATOM 0 HB2 ASN A 112 8.256 -8.013 6.659 1.00 0.00 H new ATOM 0 HB3 ASN A 112 7.563 -7.242 5.246 1.00 0.00 H new ATOM 0 HD21 ASN A 112 8.797 -11.147 4.533 1.00 0.00 H new ATOM 0 HD22 ASN A 112 9.908 -9.988 5.271 1.00 0.00 H new ATOM 1710 N VAL A 113 9.269 -5.405 3.996 1.00 0.00 N ATOM 1711 CA VAL A 113 9.089 -3.959 3.799 1.00 0.00 C ATOM 1712 C VAL A 113 7.586 -3.635 3.806 1.00 0.00 C ATOM 1713 O VAL A 113 6.823 -4.166 2.997 1.00 0.00 O ATOM 1714 CB VAL A 113 9.898 -3.536 2.552 1.00 0.00 C ATOM 1715 CG1 VAL A 113 9.121 -2.938 1.368 1.00 0.00 C ATOM 1716 CG2 VAL A 113 11.013 -2.592 3.001 1.00 0.00 C ATOM 0 H VAL A 113 9.035 -5.965 3.177 1.00 0.00 H new ATOM 0 HA VAL A 113 9.492 -3.353 4.611 1.00 0.00 H new ATOM 0 HB VAL A 113 10.278 -4.467 2.132 1.00 0.00 H new ATOM 0 HG11 VAL A 113 9.816 -2.688 0.566 1.00 0.00 H new ATOM 0 HG12 VAL A 113 8.394 -3.665 1.005 1.00 0.00 H new ATOM 0 HG13 VAL A 113 8.601 -2.036 1.692 1.00 0.00 H new ATOM 0 HG21 VAL A 113 11.597 -2.281 2.135 1.00 0.00 H new ATOM 0 HG22 VAL A 113 10.577 -1.715 3.479 1.00 0.00 H new ATOM 0 HG23 VAL A 113 11.662 -3.106 3.710 1.00 0.00 H new ATOM 1726 N CYS A 114 7.167 -2.985 4.884 1.00 0.00 N ATOM 1727 CA CYS A 114 5.770 -2.542 4.997 1.00 0.00 C ATOM 1728 C CYS A 114 5.640 -1.145 4.381 1.00 0.00 C ATOM 1729 O CYS A 114 6.228 -0.180 4.862 1.00 0.00 O ATOM 1730 CB CYS A 114 5.325 -2.574 6.454 1.00 0.00 C ATOM 1731 SG CYS A 114 3.520 -2.810 6.638 1.00 0.00 S ATOM 0 H CYS A 114 7.757 -2.753 5.683 1.00 0.00 H new ATOM 0 HA CYS A 114 5.113 -3.218 4.450 1.00 0.00 H new ATOM 0 HB2 CYS A 114 5.847 -3.379 6.971 1.00 0.00 H new ATOM 0 HB3 CYS A 114 5.616 -1.642 6.939 1.00 0.00 H new ATOM 0 HG CYS A 114 2.931 -1.651 6.661 1.00 0.00 H new ATOM 1737 N HIS A 115 5.209 -1.170 3.126 1.00 0.00 N ATOM 1738 CA HIS A 115 5.005 0.066 2.348 1.00 0.00 C ATOM 1739 C HIS A 115 3.722 0.761 2.803 1.00 0.00 C ATOM 1740 O HIS A 115 2.746 0.091 3.120 1.00 0.00 O ATOM 1741 CB HIS A 115 4.874 -0.253 0.864 1.00 0.00 C ATOM 1742 CG HIS A 115 5.794 0.647 0.024 1.00 0.00 C ATOM 1743 ND1 HIS A 115 6.909 0.231 -0.548 1.00 0.00 N ATOM 1744 CD2 HIS A 115 5.628 1.931 -0.258 1.00 0.00 C ATOM 1745 CE1 HIS A 115 7.438 1.268 -1.210 1.00 0.00 C ATOM 1746 NE2 HIS A 115 6.645 2.314 -1.031 1.00 0.00 N ATOM 0 H HIS A 115 4.992 -2.027 2.617 1.00 0.00 H new ATOM 0 HA HIS A 115 5.866 0.714 2.511 1.00 0.00 H new ATOM 0 HB2 HIS A 115 5.125 -1.299 0.690 1.00 0.00 H new ATOM 0 HB3 HIS A 115 3.839 -0.117 0.549 1.00 0.00 H new ATOM 0 HD2 HIS A 115 4.814 2.556 0.078 1.00 0.00 H new ATOM 0 HE1 HIS A 115 8.350 1.254 -1.788 1.00 0.00 H new ATOM 0 HE2 HIS A 115 6.787 3.248 -1.416 1.00 0.00 H new ATOM 1754 N LEU A 116 3.762 2.084 2.823 1.00 0.00 N ATOM 1755 CA LEU A 116 2.589 2.891 3.199 1.00 0.00 C ATOM 1756 C LEU A 116 2.083 3.731 2.038 1.00 0.00 C ATOM 1757 O LEU A 116 2.848 4.163 1.174 1.00 0.00 O ATOM 1758 CB LEU A 116 2.847 3.791 4.415 1.00 0.00 C ATOM 1759 CG LEU A 116 3.044 3.057 5.747 1.00 0.00 C ATOM 1760 CD1 LEU A 116 1.917 2.068 6.032 1.00 0.00 C ATOM 1761 CD2 LEU A 116 4.408 2.375 5.800 1.00 0.00 C ATOM 0 H LEU A 116 4.589 2.631 2.585 1.00 0.00 H new ATOM 0 HA LEU A 116 1.819 2.171 3.476 1.00 0.00 H new ATOM 0 HB2 LEU A 116 3.733 4.394 4.218 1.00 0.00 H new ATOM 0 HB3 LEU A 116 2.009 4.480 4.520 1.00 0.00 H new ATOM 0 HG LEU A 116 3.011 3.808 6.536 1.00 0.00 H new ATOM 0 HD11 LEU A 116 2.100 1.573 6.985 1.00 0.00 H new ATOM 0 HD12 LEU A 116 0.967 2.601 6.077 1.00 0.00 H new ATOM 0 HD13 LEU A 116 1.877 1.323 5.238 1.00 0.00 H new ATOM 0 HD21 LEU A 116 4.521 1.862 6.755 1.00 0.00 H new ATOM 0 HD22 LEU A 116 4.485 1.652 4.988 1.00 0.00 H new ATOM 0 HD23 LEU A 116 5.193 3.123 5.695 1.00 0.00 H new ATOM 1773 N PHE A 117 0.764 3.866 2.046 1.00 0.00 N ATOM 1774 CA PHE A 117 0.019 4.563 0.989 1.00 0.00 C ATOM 1775 C PHE A 117 -1.269 5.182 1.519 1.00 0.00 C ATOM 1776 O PHE A 117 -2.095 4.466 2.070 1.00 0.00 O ATOM 1777 CB PHE A 117 -0.368 3.555 -0.093 1.00 0.00 C ATOM 1778 CG PHE A 117 0.850 3.030 -0.838 1.00 0.00 C ATOM 1779 CD1 PHE A 117 1.484 3.866 -1.746 1.00 0.00 C ATOM 1780 CD2 PHE A 117 1.344 1.753 -0.594 1.00 0.00 C ATOM 1781 CE1 PHE A 117 2.596 3.437 -2.437 1.00 0.00 C ATOM 1782 CE2 PHE A 117 2.463 1.326 -1.286 1.00 0.00 C ATOM 1783 CZ PHE A 117 3.091 2.163 -2.204 1.00 0.00 C ATOM 0 H PHE A 117 0.170 3.495 2.788 1.00 0.00 H new ATOM 0 HA PHE A 117 0.661 5.353 0.599 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -0.903 2.721 0.362 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -1.052 4.025 -0.800 1.00 0.00 H new ATOM 0 HD1 PHE A 117 1.102 4.862 -1.913 1.00 0.00 H new ATOM 0 HD2 PHE A 117 0.862 1.106 0.124 1.00 0.00 H new ATOM 0 HE1 PHE A 117 3.077 4.087 -3.153 1.00 0.00 H new ATOM 0 HE2 PHE A 117 2.853 0.334 -1.112 1.00 0.00 H new ATOM 0 HZ PHE A 117 3.966 1.819 -2.736 1.00 0.00 H new ATOM 1793 N ALA A 118 -1.529 6.420 1.130 1.00 0.00 N ATOM 1794 CA ALA A 118 -2.772 7.111 1.523 1.00 0.00 C ATOM 1795 C ALA A 118 -3.766 7.128 0.359 1.00 0.00 C ATOM 1796 O ALA A 118 -3.423 7.469 -0.765 1.00 0.00 O ATOM 1797 CB ALA A 118 -2.447 8.526 1.994 1.00 0.00 C ATOM 0 H ALA A 118 -0.906 6.975 0.544 1.00 0.00 H new ATOM 0 HA ALA A 118 -3.238 6.572 2.348 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -3.367 9.033 2.283 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -1.774 8.479 2.850 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -1.967 9.078 1.185 1.00 0.00 H new ATOM 1803 N GLU A 119 -4.967 6.616 0.587 1.00 0.00 N ATOM 1804 CA GLU A 119 -6.000 6.548 -0.469 1.00 0.00 C ATOM 1805 C GLU A 119 -6.176 7.920 -1.144 1.00 0.00 C ATOM 1806 O GLU A 119 -6.359 8.935 -0.476 1.00 0.00 O ATOM 1807 CB GLU A 119 -7.317 5.993 0.102 1.00 0.00 C ATOM 1808 CG GLU A 119 -8.265 6.950 0.849 1.00 0.00 C ATOM 1809 CD GLU A 119 -9.030 7.887 -0.101 1.00 0.00 C ATOM 1810 OE1 GLU A 119 -9.300 7.454 -1.247 1.00 0.00 O ATOM 1811 OE2 GLU A 119 -9.325 9.020 0.329 1.00 0.00 O ATOM 0 H GLU A 119 -5.262 6.239 1.488 1.00 0.00 H new ATOM 0 HA GLU A 119 -5.674 5.856 -1.245 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -7.876 5.554 -0.725 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -7.065 5.180 0.783 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -8.979 6.367 1.431 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -7.689 7.547 1.556 1.00 0.00 H new ATOM 1818 N LEU A 120 -6.055 7.939 -2.460 1.00 0.00 N ATOM 1819 CA LEU A 120 -6.232 9.197 -3.212 1.00 0.00 C ATOM 1820 C LEU A 120 -7.259 9.040 -4.340 1.00 0.00 C ATOM 1821 O LEU A 120 -7.053 9.421 -5.490 1.00 0.00 O ATOM 1822 CB LEU A 120 -4.868 9.711 -3.685 1.00 0.00 C ATOM 1823 CG LEU A 120 -4.696 11.193 -3.332 1.00 0.00 C ATOM 1824 CD1 LEU A 120 -3.238 11.571 -3.511 1.00 0.00 C ATOM 1825 CD2 LEU A 120 -5.524 12.117 -4.229 1.00 0.00 C ATOM 0 H LEU A 120 -5.840 7.123 -3.032 1.00 0.00 H new ATOM 0 HA LEU A 120 -6.651 9.959 -2.554 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -4.073 9.127 -3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -4.776 9.576 -4.763 1.00 0.00 H new ATOM 0 HG LEU A 120 -5.035 11.318 -2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -3.102 12.624 -3.263 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -2.620 10.960 -2.853 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -2.943 11.401 -4.546 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -5.362 13.153 -3.932 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -5.219 11.985 -5.267 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -6.581 11.872 -4.127 1.00 0.00 H new ATOM 1837 N ASP A 121 -8.324 8.327 -3.988 1.00 0.00 N ATOM 1838 CA ASP A 121 -9.414 8.001 -4.919 1.00 0.00 C ATOM 1839 C ASP A 121 -10.742 8.415 -4.271 1.00 0.00 C ATOM 1840 O ASP A 121 -11.157 7.771 -3.303 1.00 0.00 O ATOM 1841 CB ASP A 121 -9.519 6.501 -5.203 1.00 0.00 C ATOM 1842 CG ASP A 121 -8.184 5.776 -5.252 1.00 0.00 C ATOM 1843 OD1 ASP A 121 -7.665 5.508 -4.145 1.00 0.00 O ATOM 1844 OD2 ASP A 121 -7.754 5.520 -6.395 1.00 0.00 O ATOM 0 H ASP A 121 -8.462 7.955 -3.048 1.00 0.00 H new ATOM 0 HA ASP A 121 -9.207 8.525 -5.852 1.00 0.00 H new ATOM 0 HB2 ASP A 121 -10.140 6.041 -4.435 1.00 0.00 H new ATOM 0 HB3 ASP A 121 -10.031 6.359 -6.155 1.00 0.00 H new ATOM 1849 N PRO A 122 -11.426 9.411 -4.845 1.00 0.00 N ATOM 1850 CA PRO A 122 -12.754 9.843 -4.368 1.00 0.00 C ATOM 1851 C PRO A 122 -13.872 8.856 -4.769 1.00 0.00 C ATOM 1852 O PRO A 122 -14.882 9.230 -5.357 1.00 0.00 O ATOM 1853 CB PRO A 122 -12.904 11.247 -4.962 1.00 0.00 C ATOM 1854 CG PRO A 122 -12.141 11.164 -6.284 1.00 0.00 C ATOM 1855 CD PRO A 122 -10.952 10.262 -5.956 1.00 0.00 C ATOM 0 HA PRO A 122 -12.841 9.860 -3.282 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -13.951 11.505 -5.119 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -12.483 12.007 -4.304 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -12.758 10.742 -7.077 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -11.817 12.148 -6.622 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -10.660 9.662 -6.818 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -10.080 10.846 -5.664 1.00 0.00 H new ATOM 1863 N ASP A 123 -13.643 7.583 -4.433 1.00 0.00 N ATOM 1864 CA ASP A 123 -14.506 6.426 -4.764 1.00 0.00 C ATOM 1865 C ASP A 123 -13.911 5.089 -4.280 1.00 0.00 C ATOM 1866 O ASP A 123 -14.642 4.238 -3.783 1.00 0.00 O ATOM 1867 CB ASP A 123 -14.767 6.329 -6.275 1.00 0.00 C ATOM 1868 CG ASP A 123 -16.140 5.724 -6.589 1.00 0.00 C ATOM 1869 OD1 ASP A 123 -17.129 6.227 -6.010 1.00 0.00 O ATOM 1870 OD2 ASP A 123 -16.190 4.872 -7.501 1.00 0.00 O ATOM 0 H ASP A 123 -12.817 7.310 -3.900 1.00 0.00 H new ATOM 0 HA ASP A 123 -15.445 6.601 -4.240 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -14.700 7.323 -6.718 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -13.990 5.721 -6.738 1.00 0.00 H new ATOM 1875 N GLN A 124 -12.582 4.962 -4.348 1.00 0.00 N ATOM 1876 CA GLN A 124 -11.865 3.749 -3.903 1.00 0.00 C ATOM 1877 C GLN A 124 -10.973 4.070 -2.688 1.00 0.00 C ATOM 1878 O GLN A 124 -9.821 4.475 -2.849 1.00 0.00 O ATOM 1879 CB GLN A 124 -11.040 3.102 -5.029 1.00 0.00 C ATOM 1880 CG GLN A 124 -11.867 2.321 -6.058 1.00 0.00 C ATOM 1881 CD GLN A 124 -12.730 3.222 -6.942 1.00 0.00 C ATOM 1882 OE1 GLN A 124 -13.918 3.404 -6.734 1.00 0.00 O ATOM 1883 NE2 GLN A 124 -12.132 3.808 -7.955 1.00 0.00 N ATOM 0 H GLN A 124 -11.969 5.692 -4.711 1.00 0.00 H new ATOM 0 HA GLN A 124 -12.620 3.019 -3.610 1.00 0.00 H new ATOM 0 HB2 GLN A 124 -10.482 3.882 -5.547 1.00 0.00 H new ATOM 0 HB3 GLN A 124 -10.308 2.428 -4.584 1.00 0.00 H new ATOM 0 HG2 GLN A 124 -11.195 1.739 -6.689 1.00 0.00 H new ATOM 0 HG3 GLN A 124 -12.509 1.611 -5.536 1.00 0.00 H new ATOM 0 HE21 GLN A 124 -11.138 3.650 -8.121 1.00 0.00 H new ATOM 0 HE22 GLN A 124 -12.662 4.421 -8.575 1.00 0.00 H new ATOM 1892 N PRO A 125 -11.549 4.034 -1.480 1.00 0.00 N ATOM 1893 CA PRO A 125 -10.798 4.266 -0.233 1.00 0.00 C ATOM 1894 C PRO A 125 -9.831 3.111 0.049 1.00 0.00 C ATOM 1895 O PRO A 125 -9.984 2.018 -0.492 1.00 0.00 O ATOM 1896 CB PRO A 125 -11.870 4.426 0.848 1.00 0.00 C ATOM 1897 CG PRO A 125 -13.041 3.592 0.334 1.00 0.00 C ATOM 1898 CD PRO A 125 -12.973 3.774 -1.183 1.00 0.00 C ATOM 0 HA PRO A 125 -10.163 5.151 -0.281 1.00 0.00 H new ATOM 0 HB2 PRO A 125 -11.518 4.067 1.815 1.00 0.00 H new ATOM 0 HB3 PRO A 125 -12.151 5.471 0.979 1.00 0.00 H new ATOM 0 HG2 PRO A 125 -12.942 2.544 0.617 1.00 0.00 H new ATOM 0 HG3 PRO A 125 -13.991 3.943 0.738 1.00 0.00 H new ATOM 0 HD2 PRO A 125 -13.327 2.884 -1.702 1.00 0.00 H new ATOM 0 HD3 PRO A 125 -13.601 4.604 -1.508 1.00 0.00 H new ATOM 1906 N ALA A 126 -8.942 3.328 1.015 1.00 0.00 N ATOM 1907 CA ALA A 126 -7.908 2.343 1.390 1.00 0.00 C ATOM 1908 C ALA A 126 -8.516 1.011 1.854 1.00 0.00 C ATOM 1909 O ALA A 126 -8.219 -0.016 1.263 1.00 0.00 O ATOM 1910 CB ALA A 126 -6.977 2.917 2.456 1.00 0.00 C ATOM 0 H ALA A 126 -8.911 4.187 1.564 1.00 0.00 H new ATOM 0 HA ALA A 126 -7.324 2.132 0.494 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -6.223 2.175 2.718 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -6.488 3.811 2.069 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -7.555 3.175 3.343 1.00 0.00 H new ATOM 1916 N ALA A 127 -9.524 1.081 2.727 1.00 0.00 N ATOM 1917 CA ALA A 127 -10.332 -0.089 3.137 1.00 0.00 C ATOM 1918 C ALA A 127 -10.911 -0.899 1.964 1.00 0.00 C ATOM 1919 O ALA A 127 -10.575 -2.069 1.819 1.00 0.00 O ATOM 1920 CB ALA A 127 -11.449 0.362 4.082 1.00 0.00 C ATOM 0 H ALA A 127 -9.810 1.951 3.176 1.00 0.00 H new ATOM 0 HA ALA A 127 -9.651 -0.768 3.650 1.00 0.00 H new ATOM 0 HB1 ALA A 127 -12.042 -0.502 4.382 1.00 0.00 H new ATOM 0 HB2 ALA A 127 -11.012 0.827 4.966 1.00 0.00 H new ATOM 0 HB3 ALA A 127 -12.089 1.082 3.572 1.00 0.00 H new ATOM 1926 N ALA A 128 -11.571 -0.223 1.022 1.00 0.00 N ATOM 1927 CA ALA A 128 -12.079 -0.863 -0.214 1.00 0.00 C ATOM 1928 C ALA A 128 -10.955 -1.405 -1.119 1.00 0.00 C ATOM 1929 O ALA A 128 -11.031 -2.540 -1.586 1.00 0.00 O ATOM 1930 CB ALA A 128 -12.971 0.103 -0.994 1.00 0.00 C ATOM 0 H ALA A 128 -11.772 0.775 1.084 1.00 0.00 H new ATOM 0 HA ALA A 128 -12.669 -1.723 0.104 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -13.334 -0.386 -1.898 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -13.819 0.396 -0.375 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -12.397 0.989 -1.266 1.00 0.00 H new ATOM 1936 N ILE A 129 -9.832 -0.690 -1.133 1.00 0.00 N ATOM 1937 CA ILE A 129 -8.580 -1.099 -1.802 1.00 0.00 C ATOM 1938 C ILE A 129 -7.948 -2.344 -1.151 1.00 0.00 C ATOM 1939 O ILE A 129 -7.335 -3.144 -1.845 1.00 0.00 O ATOM 1940 CB ILE A 129 -7.666 0.143 -1.954 1.00 0.00 C ATOM 1941 CG1 ILE A 129 -7.771 0.718 -3.377 1.00 0.00 C ATOM 1942 CG2 ILE A 129 -6.210 0.019 -1.468 1.00 0.00 C ATOM 1943 CD1 ILE A 129 -7.303 -0.217 -4.504 1.00 0.00 C ATOM 0 H ILE A 129 -9.757 0.215 -0.669 1.00 0.00 H new ATOM 0 HA ILE A 129 -8.779 -1.451 -2.814 1.00 0.00 H new ATOM 0 HB ILE A 129 -8.070 0.857 -1.236 1.00 0.00 H new ATOM 0 HG12 ILE A 129 -8.809 0.992 -3.564 1.00 0.00 H new ATOM 0 HG13 ILE A 129 -7.185 1.636 -3.423 1.00 0.00 H new ATOM 0 HG21 ILE A 129 -5.689 0.962 -1.636 1.00 0.00 H new ATOM 0 HG22 ILE A 129 -6.200 -0.216 -0.404 1.00 0.00 H new ATOM 0 HG23 ILE A 129 -5.709 -0.776 -2.020 1.00 0.00 H new ATOM 0 HD11 ILE A 129 -7.419 0.285 -5.465 1.00 0.00 H new ATOM 0 HD12 ILE A 129 -6.254 -0.473 -4.352 1.00 0.00 H new ATOM 0 HD13 ILE A 129 -7.903 -1.127 -4.495 1.00 0.00 H new ATOM 1955 N VAL A 130 -8.226 -2.524 0.137 1.00 0.00 N ATOM 1956 CA VAL A 130 -7.813 -3.652 0.989 1.00 0.00 C ATOM 1957 C VAL A 130 -8.777 -4.850 0.890 1.00 0.00 C ATOM 1958 O VAL A 130 -8.352 -5.999 0.964 1.00 0.00 O ATOM 1959 CB VAL A 130 -7.590 -3.068 2.396 1.00 0.00 C ATOM 1960 CG1 VAL A 130 -7.736 -4.054 3.559 1.00 0.00 C ATOM 1961 CG2 VAL A 130 -6.186 -2.461 2.413 1.00 0.00 C ATOM 0 H VAL A 130 -8.783 -1.844 0.655 1.00 0.00 H new ATOM 0 HA VAL A 130 -6.878 -4.104 0.656 1.00 0.00 H new ATOM 0 HB VAL A 130 -8.381 -2.337 2.563 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -7.558 -3.535 4.501 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -8.743 -4.470 3.559 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -7.011 -4.860 3.446 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -5.986 -2.034 3.396 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -5.451 -3.237 2.198 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -6.119 -1.679 1.657 1.00 0.00 H new ATOM 1971 N ASN A 131 -10.041 -4.554 0.609 1.00 0.00 N ATOM 1972 CA ASN A 131 -11.076 -5.572 0.357 1.00 0.00 C ATOM 1973 C ASN A 131 -10.910 -6.216 -1.032 1.00 0.00 C ATOM 1974 O ASN A 131 -10.999 -7.429 -1.173 1.00 0.00 O ATOM 1975 CB ASN A 131 -12.459 -4.931 0.525 1.00 0.00 C ATOM 1976 CG ASN A 131 -13.597 -5.927 0.281 1.00 0.00 C ATOM 1977 OD1 ASN A 131 -13.493 -7.128 0.483 1.00 0.00 O ATOM 1978 ND2 ASN A 131 -14.718 -5.432 -0.183 1.00 0.00 N ATOM 0 H ASN A 131 -10.387 -3.597 0.547 1.00 0.00 H new ATOM 0 HA ASN A 131 -10.969 -6.378 1.082 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -12.547 -4.522 1.531 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -12.556 -4.095 -0.168 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -15.507 -6.049 -0.377 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -14.802 -4.429 -0.351 1.00 0.00 H new ATOM 1985 N PHE A 132 -10.466 -5.408 -1.989 1.00 0.00 N ATOM 1986 CA PHE A 132 -10.222 -5.842 -3.375 1.00 0.00 C ATOM 1987 C PHE A 132 -8.849 -6.509 -3.552 1.00 0.00 C ATOM 1988 O PHE A 132 -8.757 -7.592 -4.128 1.00 0.00 O ATOM 1989 CB PHE A 132 -10.427 -4.630 -4.294 1.00 0.00 C ATOM 1990 CG PHE A 132 -9.716 -4.745 -5.640 1.00 0.00 C ATOM 1991 CD1 PHE A 132 -9.997 -5.782 -6.528 1.00 0.00 C ATOM 1992 CD2 PHE A 132 -8.658 -3.878 -5.898 1.00 0.00 C ATOM 1993 CE1 PHE A 132 -9.236 -5.936 -7.673 1.00 0.00 C ATOM 1994 CE2 PHE A 132 -7.905 -4.028 -7.048 1.00 0.00 C ATOM 1995 CZ PHE A 132 -8.189 -5.055 -7.941 1.00 0.00 C ATOM 0 H PHE A 132 -10.261 -4.421 -1.830 1.00 0.00 H new ATOM 0 HA PHE A 132 -10.934 -6.621 -3.647 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -11.494 -4.496 -4.469 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -10.073 -3.735 -3.783 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -10.808 -6.465 -6.322 1.00 0.00 H new ATOM 0 HD2 PHE A 132 -8.425 -3.088 -5.200 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -9.453 -6.740 -8.361 1.00 0.00 H new ATOM 0 HE2 PHE A 132 -7.094 -3.345 -7.253 1.00 0.00 H new ATOM 0 HZ PHE A 132 -7.601 -5.170 -8.839 1.00 0.00 H new ATOM 2005 N VAL A 133 -7.823 -5.903 -2.954 1.00 0.00 N ATOM 2006 CA VAL A 133 -6.442 -6.430 -3.012 1.00 0.00 C ATOM 2007 C VAL A 133 -6.345 -7.827 -2.364 1.00 0.00 C ATOM 2008 O VAL A 133 -5.566 -8.671 -2.800 1.00 0.00 O ATOM 2009 CB VAL A 133 -5.454 -5.403 -2.419 1.00 0.00 C ATOM 2010 CG1 VAL A 133 -5.469 -5.310 -0.889 1.00 0.00 C ATOM 2011 CG2 VAL A 133 -4.035 -5.614 -2.949 1.00 0.00 C ATOM 0 H VAL A 133 -7.915 -5.040 -2.418 1.00 0.00 H new ATOM 0 HA VAL A 133 -6.157 -6.574 -4.054 1.00 0.00 H new ATOM 0 HB VAL A 133 -5.816 -4.436 -2.767 1.00 0.00 H new ATOM 0 HG11 VAL A 133 -4.744 -4.564 -0.563 1.00 0.00 H new ATOM 0 HG12 VAL A 133 -6.464 -5.021 -0.552 1.00 0.00 H new ATOM 0 HG13 VAL A 133 -5.209 -6.279 -0.463 1.00 0.00 H new ATOM 0 HG21 VAL A 133 -3.368 -4.872 -2.509 1.00 0.00 H new ATOM 0 HG22 VAL A 133 -3.692 -6.614 -2.683 1.00 0.00 H new ATOM 0 HG23 VAL A 133 -4.032 -5.506 -4.034 1.00 0.00 H new ATOM 2021 N SER A 134 -7.203 -8.036 -1.365 1.00 0.00 N ATOM 2022 CA SER A 134 -7.333 -9.316 -0.648 1.00 0.00 C ATOM 2023 C SER A 134 -8.342 -10.261 -1.316 1.00 0.00 C ATOM 2024 O SER A 134 -8.095 -11.459 -1.373 1.00 0.00 O ATOM 2025 CB SER A 134 -7.735 -9.060 0.803 1.00 0.00 C ATOM 2026 OG SER A 134 -7.074 -10.013 1.634 1.00 0.00 O ATOM 0 H SER A 134 -7.838 -7.315 -1.023 1.00 0.00 H new ATOM 0 HA SER A 134 -6.361 -9.808 -0.681 1.00 0.00 H new ATOM 0 HB2 SER A 134 -7.462 -8.047 1.098 1.00 0.00 H new ATOM 0 HB3 SER A 134 -8.816 -9.144 0.917 1.00 0.00 H new ATOM 0 HG SER A 134 -7.322 -9.859 2.570 1.00 0.00 H new ATOM 2032 N ARG A 135 -9.341 -9.702 -2.004 1.00 0.00 N ATOM 2033 CA ARG A 135 -10.318 -10.485 -2.790 1.00 0.00 C ATOM 2034 C ARG A 135 -9.661 -11.303 -3.918 1.00 0.00 C ATOM 2035 O ARG A 135 -10.196 -12.322 -4.352 1.00 0.00 O ATOM 2036 CB ARG A 135 -11.361 -9.549 -3.401 1.00 0.00 C ATOM 2037 CG ARG A 135 -12.721 -10.233 -3.336 1.00 0.00 C ATOM 2038 CD ARG A 135 -13.500 -10.091 -4.646 1.00 0.00 C ATOM 2039 NE ARG A 135 -14.584 -9.100 -4.545 1.00 0.00 N ATOM 2040 CZ ARG A 135 -15.668 -9.162 -3.762 1.00 0.00 C ATOM 2041 NH1 ARG A 135 -15.891 -10.174 -2.931 1.00 0.00 N ATOM 2042 NH2 ARG A 135 -16.559 -8.187 -3.807 1.00 0.00 N ATOM 0 H ARG A 135 -9.501 -8.695 -2.036 1.00 0.00 H new ATOM 0 HA ARG A 135 -10.784 -11.188 -2.099 1.00 0.00 H new ATOM 0 HB2 ARG A 135 -11.386 -8.604 -2.859 1.00 0.00 H new ATOM 0 HB3 ARG A 135 -11.103 -9.317 -4.434 1.00 0.00 H new ATOM 0 HG2 ARG A 135 -12.584 -11.290 -3.109 1.00 0.00 H new ATOM 0 HG3 ARG A 135 -13.303 -9.805 -2.520 1.00 0.00 H new ATOM 0 HD2 ARG A 135 -12.816 -9.799 -5.443 1.00 0.00 H new ATOM 0 HD3 ARG A 135 -13.919 -11.058 -4.924 1.00 0.00 H new ATOM 0 HE ARG A 135 -14.500 -8.274 -5.138 1.00 0.00 H new ATOM 0 HH11 ARG A 135 -15.223 -10.943 -2.873 1.00 0.00 H new ATOM 0 HH12 ARG A 135 -16.730 -10.182 -2.351 1.00 0.00 H new ATOM 0 HH21 ARG A 135 -16.418 -7.396 -4.435 1.00 0.00 H new ATOM 0 HH22 ARG A 135 -17.388 -8.226 -3.214 1.00 0.00 H new ATOM 2056 N VAL A 136 -8.551 -10.781 -4.434 1.00 0.00 N ATOM 2057 CA VAL A 136 -7.740 -11.430 -5.491 1.00 0.00 C ATOM 2058 C VAL A 136 -6.654 -12.331 -4.854 1.00 0.00 C ATOM 2059 O VAL A 136 -6.145 -13.258 -5.488 1.00 0.00 O ATOM 2060 CB VAL A 136 -7.137 -10.378 -6.450 1.00 0.00 C ATOM 2061 CG1 VAL A 136 -6.498 -11.026 -7.684 1.00 0.00 C ATOM 2062 CG2 VAL A 136 -8.174 -9.359 -6.942 1.00 0.00 C ATOM 0 H VAL A 136 -8.174 -9.882 -4.133 1.00 0.00 H new ATOM 0 HA VAL A 136 -8.388 -12.069 -6.091 1.00 0.00 H new ATOM 0 HB VAL A 136 -6.378 -9.864 -5.860 1.00 0.00 H new ATOM 0 HG11 VAL A 136 -6.087 -10.251 -8.330 1.00 0.00 H new ATOM 0 HG12 VAL A 136 -5.699 -11.698 -7.370 1.00 0.00 H new ATOM 0 HG13 VAL A 136 -7.253 -11.591 -8.230 1.00 0.00 H new ATOM 0 HG21 VAL A 136 -7.694 -8.646 -7.612 1.00 0.00 H new ATOM 0 HG22 VAL A 136 -8.970 -9.879 -7.476 1.00 0.00 H new ATOM 0 HG23 VAL A 136 -8.596 -8.828 -6.089 1.00 0.00 H new ATOM 2072 N MET A 137 -6.326 -12.052 -3.592 1.00 0.00 N ATOM 2073 CA MET A 137 -5.355 -12.824 -2.800 1.00 0.00 C ATOM 2074 C MET A 137 -6.022 -14.108 -2.296 1.00 0.00 C ATOM 2075 O MET A 137 -6.970 -14.054 -1.517 1.00 0.00 O ATOM 2076 CB MET A 137 -4.847 -11.971 -1.626 1.00 0.00 C ATOM 2077 CG MET A 137 -3.871 -12.753 -0.742 1.00 0.00 C ATOM 2078 SD MET A 137 -2.317 -11.878 -0.349 1.00 0.00 S ATOM 2079 CE MET A 137 -1.287 -13.311 -0.110 1.00 0.00 C ATOM 0 H MET A 137 -6.732 -11.270 -3.078 1.00 0.00 H new ATOM 0 HA MET A 137 -4.500 -13.094 -3.420 1.00 0.00 H new ATOM 0 HB2 MET A 137 -4.355 -11.078 -2.011 1.00 0.00 H new ATOM 0 HB3 MET A 137 -5.693 -11.635 -1.026 1.00 0.00 H new ATOM 0 HG2 MET A 137 -4.373 -13.008 0.191 1.00 0.00 H new ATOM 0 HG3 MET A 137 -3.626 -13.692 -1.239 1.00 0.00 H new ATOM 0 HE1 MET A 137 -0.330 -13.005 0.313 1.00 0.00 H new ATOM 0 HE2 MET A 137 -1.780 -14.004 0.571 1.00 0.00 H new ATOM 0 HE3 MET A 137 -1.119 -13.802 -1.068 1.00 0.00 H new