USER MOD reduce.3.24.130724 H: found=0, std=0, add=797, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 798 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 84 SER OG : rot 180:sc= -1 USER MOD Set 1.2: A 99 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 45 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 86 MET CE :methyl -134:sc= 0 (180deg=-0.0389) USER MOD Set 2.3: A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 MET CE :methyl -166:sc= -4.86! (180deg=-5.58!) USER MOD Single : A 10 MET CE :methyl 152:sc= -0.219 (180deg=-0.866) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 26:sc= 0.147 USER MOD Single : A 22 HIS : no HD1:sc= -1.91! K(o=-1.9!,f=-2.7) USER MOD Single : A 24 THR OG1 : rot 175:sc= -0.695 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.467 K(o=-0.47,f=-1.4) USER MOD Single : A 38 GLN : amide:sc= -1.13 K(o=-1.1,f=-2.5!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 32:sc= 0.00116 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 178:sc= 0.913 (180deg=0.909) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.0489 X(o=-0.049,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.0155 X(o=-0.016,f=0) USER MOD Single : A 58 THR OG1 : rot 110:sc= 0.0374 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN :FLIP amide:sc= -0.0292 F(o=-0.69,f=-0.029) USER MOD Single : A 64 ASN : amide:sc= -3.08! C(o=-3.1!,f=-4.3!) USER MOD Single : A 66 THR OG1 : rot 49:sc= 1.16 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.679! USER MOD Single : A 69 SER OG : rot 180:sc= -0.496 USER MOD Single : A 70 TYR OH : rot 130:sc= -1 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0.28) USER MOD Single : A 79 THR OG1 : rot 48:sc= -0.149 USER MOD Single : A 81 TYR OH : rot 110:sc= 0.238 USER MOD Single : A 89 LYS NZ :NH3+ 153:sc= 0.00246 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 110:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.011 USER MOD Single : A 97 SER OG : rot -130:sc= -0.773 USER MOD Single : A 98 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 HIS : no HE2:sc= -1.13 X(o=-1.1,f=-0.73) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 175:sc= 0.527 USER MOD ----------------------------------------------------------------- ATOM 80 N MET A 9 13.814 -3.089 10.632 1.00 0.00 N ATOM 81 CA MET A 9 13.151 -1.922 10.062 1.00 0.00 C ATOM 82 C MET A 9 11.669 -1.907 10.424 1.00 0.00 C ATOM 83 O MET A 9 11.016 -2.950 10.448 1.00 0.00 O ATOM 84 CB MET A 9 13.316 -1.907 8.542 1.00 0.00 C ATOM 85 CG MET A 9 14.675 -1.403 8.083 1.00 0.00 C ATOM 86 SD MET A 9 14.925 -1.594 6.308 1.00 0.00 S ATOM 87 CE MET A 9 14.189 -0.080 5.697 1.00 0.00 C ATOM 0 HA MET A 9 13.618 -1.030 10.480 1.00 0.00 H new ATOM 0 HB2 MET A 9 13.163 -2.916 8.158 1.00 0.00 H new ATOM 0 HB3 MET A 9 12.539 -1.279 8.107 1.00 0.00 H new ATOM 0 HG2 MET A 9 14.776 -0.351 8.349 1.00 0.00 H new ATOM 0 HG3 MET A 9 15.457 -1.943 8.616 1.00 0.00 H new ATOM 0 HE1 MET A 9 14.039 -0.157 4.620 1.00 0.00 H new ATOM 0 HE2 MET A 9 13.228 0.081 6.186 1.00 0.00 H new ATOM 0 HE3 MET A 9 14.851 0.759 5.912 1.00 0.00 H new ATOM 97 N MET A 10 11.145 -0.719 10.706 1.00 0.00 N ATOM 98 CA MET A 10 9.740 -0.570 11.066 1.00 0.00 C ATOM 99 C MET A 10 8.922 -0.083 9.875 1.00 0.00 C ATOM 100 O MET A 10 9.344 0.792 9.118 1.00 0.00 O ATOM 101 CB MET A 10 9.592 0.406 12.235 1.00 0.00 C ATOM 102 CG MET A 10 10.129 1.797 11.937 1.00 0.00 C ATOM 103 SD MET A 10 10.768 2.624 13.407 1.00 0.00 S ATOM 104 CE MET A 10 12.167 1.578 13.803 1.00 0.00 C ATOM 0 H MET A 10 11.672 0.154 10.692 1.00 0.00 H new ATOM 0 HA MET A 10 9.362 -1.547 11.368 1.00 0.00 H new ATOM 0 HB2 MET A 10 8.538 0.482 12.503 1.00 0.00 H new ATOM 0 HB3 MET A 10 10.113 0.002 13.103 1.00 0.00 H new ATOM 0 HG2 MET A 10 10.921 1.725 11.192 1.00 0.00 H new ATOM 0 HG3 MET A 10 9.335 2.403 11.500 1.00 0.00 H new ATOM 0 HE1 MET A 10 12.926 2.165 14.320 1.00 0.00 H new ATOM 0 HE2 MET A 10 11.840 0.761 14.446 1.00 0.00 H new ATOM 0 HE3 MET A 10 12.588 1.170 12.884 1.00 0.00 H new ATOM 114 N PRO A 11 7.724 -0.660 9.702 1.00 0.00 N ATOM 115 CA PRO A 11 6.823 -0.300 8.604 1.00 0.00 C ATOM 116 C PRO A 11 6.234 1.097 8.771 1.00 0.00 C ATOM 117 O PRO A 11 6.333 1.715 9.831 1.00 0.00 O ATOM 118 CB PRO A 11 5.720 -1.358 8.688 1.00 0.00 C ATOM 119 CG PRO A 11 5.727 -1.800 10.111 1.00 0.00 C ATOM 120 CD PRO A 11 7.157 -1.709 10.566 1.00 0.00 C ATOM 0 HA PRO A 11 7.340 -0.278 7.644 1.00 0.00 H new ATOM 0 HB2 PRO A 11 4.752 -0.944 8.407 1.00 0.00 H new ATOM 0 HB3 PRO A 11 5.918 -2.191 8.014 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.083 -1.166 10.720 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.352 -2.819 10.205 1.00 0.00 H new ATOM 0 HD2 PRO A 11 7.227 -1.442 11.621 1.00 0.00 H new ATOM 0 HD3 PRO A 11 7.679 -2.658 10.442 1.00 0.00 H new ATOM 128 N PRO A 12 5.606 1.607 7.702 1.00 0.00 N ATOM 129 CA PRO A 12 4.988 2.937 7.706 1.00 0.00 C ATOM 130 C PRO A 12 3.744 2.995 8.587 1.00 0.00 C ATOM 131 O PRO A 12 3.339 1.991 9.173 1.00 0.00 O ATOM 132 CB PRO A 12 4.615 3.160 6.239 1.00 0.00 C ATOM 133 CG PRO A 12 4.460 1.790 5.675 1.00 0.00 C ATOM 134 CD PRO A 12 5.450 0.926 6.405 1.00 0.00 C ATOM 0 HA PRO A 12 5.658 3.696 8.109 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.692 3.732 6.148 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.390 3.719 5.714 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.443 1.423 5.816 1.00 0.00 H new ATOM 0 HG3 PRO A 12 4.655 1.785 4.603 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.081 -0.092 6.528 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.397 0.860 5.870 1.00 0.00 H new ATOM 142 N VAL A 13 3.142 4.177 8.675 1.00 0.00 N ATOM 143 CA VAL A 13 1.943 4.365 9.483 1.00 0.00 C ATOM 144 C VAL A 13 0.956 5.298 8.791 1.00 0.00 C ATOM 145 O VAL A 13 1.254 5.868 7.743 1.00 0.00 O ATOM 146 CB VAL A 13 2.286 4.936 10.872 1.00 0.00 C ATOM 147 CG1 VAL A 13 3.154 3.961 11.651 1.00 0.00 C ATOM 148 CG2 VAL A 13 2.975 6.286 10.737 1.00 0.00 C ATOM 0 H VAL A 13 3.465 5.018 8.197 1.00 0.00 H new ATOM 0 HA VAL A 13 1.486 3.383 9.605 1.00 0.00 H new ATOM 0 HB VAL A 13 1.358 5.081 11.426 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.386 4.382 12.629 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.619 3.020 11.778 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.080 3.781 11.105 1.00 0.00 H new ATOM 0 HG21 VAL A 13 3.210 6.675 11.728 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.895 6.169 10.165 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.313 6.982 10.221 1.00 0.00 H new ATOM 158 N GLY A 14 -0.224 5.449 9.386 1.00 0.00 N ATOM 159 CA GLY A 14 -1.238 6.315 8.814 1.00 0.00 C ATOM 160 C GLY A 14 -1.702 5.841 7.451 1.00 0.00 C ATOM 161 O GLY A 14 -2.017 6.651 6.578 1.00 0.00 O ATOM 0 H GLY A 14 -0.495 4.987 10.254 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.093 6.364 9.489 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.841 7.327 8.728 1.00 0.00 H new ATOM 165 N VAL A 15 -1.742 4.526 7.265 1.00 0.00 N ATOM 166 CA VAL A 15 -2.170 3.945 5.998 1.00 0.00 C ATOM 167 C VAL A 15 -3.671 4.118 5.793 1.00 0.00 C ATOM 168 O VAL A 15 -4.477 3.562 6.539 1.00 0.00 O ATOM 169 CB VAL A 15 -1.822 2.447 5.921 1.00 0.00 C ATOM 170 CG1 VAL A 15 -2.143 1.894 4.540 1.00 0.00 C ATOM 171 CG2 VAL A 15 -0.358 2.222 6.267 1.00 0.00 C ATOM 0 H VAL A 15 -1.483 3.842 7.976 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.635 4.475 5.210 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.431 1.913 6.650 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.890 0.834 4.505 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.206 2.021 4.335 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.563 2.430 3.789 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.129 1.158 6.208 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.270 2.768 5.563 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.164 2.579 7.279 1.00 0.00 H new ATOM 181 N GLN A 16 -4.039 4.892 4.777 1.00 0.00 N ATOM 182 CA GLN A 16 -5.444 5.138 4.475 1.00 0.00 C ATOM 183 C GLN A 16 -5.703 5.043 2.975 1.00 0.00 C ATOM 184 O GLN A 16 -4.805 5.272 2.165 1.00 0.00 O ATOM 185 CB GLN A 16 -5.865 6.515 4.991 1.00 0.00 C ATOM 186 CG GLN A 16 -6.154 6.543 6.484 1.00 0.00 C ATOM 187 CD GLN A 16 -6.562 7.918 6.973 1.00 0.00 C ATOM 188 OE1 GLN A 16 -7.669 8.107 7.478 1.00 0.00 O ATOM 189 NE2 GLN A 16 -5.668 8.888 6.827 1.00 0.00 N ATOM 0 H GLN A 16 -3.384 5.359 4.150 1.00 0.00 H new ATOM 0 HA GLN A 16 -6.037 4.373 4.977 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -5.077 7.234 4.768 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -6.754 6.840 4.451 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -6.948 5.831 6.710 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -5.268 6.216 7.028 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -4.762 8.687 6.403 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -5.887 9.834 7.139 1.00 0.00 H new ATOM 198 N ALA A 17 -6.936 4.705 2.612 1.00 0.00 N ATOM 199 CA ALA A 17 -7.313 4.582 1.210 1.00 0.00 C ATOM 200 C ALA A 17 -8.436 5.551 0.856 1.00 0.00 C ATOM 201 O ALA A 17 -9.472 5.584 1.521 1.00 0.00 O ATOM 202 CB ALA A 17 -7.729 3.152 0.899 1.00 0.00 C ATOM 0 H ALA A 17 -7.691 4.511 3.270 1.00 0.00 H new ATOM 0 HA ALA A 17 -6.445 4.836 0.602 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -8.008 3.075 -0.152 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -6.897 2.478 1.104 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.580 2.877 1.522 1.00 0.00 H new ATOM 208 N SER A 18 -8.224 6.338 -0.194 1.00 0.00 N ATOM 209 CA SER A 18 -9.217 7.311 -0.633 1.00 0.00 C ATOM 210 C SER A 18 -9.928 6.830 -1.895 1.00 0.00 C ATOM 211 O SER A 18 -9.348 6.820 -2.981 1.00 0.00 O ATOM 212 CB SER A 18 -8.555 8.666 -0.891 1.00 0.00 C ATOM 213 OG SER A 18 -8.505 9.443 0.292 1.00 0.00 O ATOM 0 H SER A 18 -7.373 6.321 -0.756 1.00 0.00 H new ATOM 0 HA SER A 18 -9.957 7.422 0.160 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.545 8.514 -1.273 1.00 0.00 H new ATOM 0 HB3 SER A 18 -9.109 9.204 -1.660 1.00 0.00 H new ATOM 0 HG SER A 18 -8.076 10.303 0.101 1.00 0.00 H new ATOM 219 N ILE A 19 -11.186 6.433 -1.742 1.00 0.00 N ATOM 220 CA ILE A 19 -11.977 5.952 -2.868 1.00 0.00 C ATOM 221 C ILE A 19 -12.408 7.105 -3.769 1.00 0.00 C ATOM 222 O ILE A 19 -13.269 7.906 -3.401 1.00 0.00 O ATOM 223 CB ILE A 19 -13.228 5.191 -2.393 1.00 0.00 C ATOM 224 CG1 ILE A 19 -12.840 4.104 -1.388 1.00 0.00 C ATOM 225 CG2 ILE A 19 -13.962 4.584 -3.580 1.00 0.00 C ATOM 226 CD1 ILE A 19 -12.120 2.931 -2.015 1.00 0.00 C ATOM 0 H ILE A 19 -11.680 6.435 -0.850 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.341 5.271 -3.433 1.00 0.00 H new ATOM 0 HB ILE A 19 -13.897 5.895 -1.898 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.203 4.542 -0.619 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -13.740 3.743 -0.890 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -14.844 4.049 -3.228 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -14.267 5.377 -4.263 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.301 3.891 -4.100 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.876 2.200 -1.244 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -12.762 2.468 -2.764 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -11.202 3.279 -2.489 1.00 0.00 H new ATOM 238 N LEU A 20 -11.807 7.182 -4.951 1.00 0.00 N ATOM 239 CA LEU A 20 -12.130 8.236 -5.907 1.00 0.00 C ATOM 240 C LEU A 20 -13.008 7.699 -7.032 1.00 0.00 C ATOM 241 O LEU A 20 -13.953 8.360 -7.464 1.00 0.00 O ATOM 242 CB LEU A 20 -10.848 8.836 -6.487 1.00 0.00 C ATOM 243 CG LEU A 20 -9.750 9.177 -5.478 1.00 0.00 C ATOM 244 CD1 LEU A 20 -8.505 9.677 -6.193 1.00 0.00 C ATOM 245 CD2 LEU A 20 -10.247 10.213 -4.480 1.00 0.00 C ATOM 0 H LEU A 20 -11.093 6.527 -5.271 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.682 9.014 -5.380 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.440 8.135 -7.215 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -11.109 9.744 -7.030 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.490 8.270 -4.932 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.735 9.915 -5.459 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -8.137 8.904 -6.867 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.749 10.572 -6.766 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.453 10.444 -3.770 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -10.535 11.121 -5.011 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.110 9.817 -3.944 1.00 0.00 H new ATOM 257 N SER A 21 -12.692 6.497 -7.501 1.00 0.00 N ATOM 258 CA SER A 21 -13.451 5.872 -8.578 1.00 0.00 C ATOM 259 C SER A 21 -13.450 4.353 -8.433 1.00 0.00 C ATOM 260 O SER A 21 -12.895 3.809 -7.478 1.00 0.00 O ATOM 261 CB SER A 21 -12.870 6.267 -9.937 1.00 0.00 C ATOM 262 OG SER A 21 -13.416 7.493 -10.389 1.00 0.00 O ATOM 0 H SER A 21 -11.915 5.936 -7.152 1.00 0.00 H new ATOM 0 HA SER A 21 -14.480 6.225 -8.515 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.786 6.354 -9.861 1.00 0.00 H new ATOM 0 HB3 SER A 21 -13.076 5.483 -10.666 1.00 0.00 H new ATOM 0 HG SER A 21 -13.701 8.028 -9.619 1.00 0.00 H new ATOM 268 N HIS A 22 -14.075 3.673 -9.389 1.00 0.00 N ATOM 269 CA HIS A 22 -14.146 2.217 -9.370 1.00 0.00 C ATOM 270 C HIS A 22 -12.765 1.602 -9.577 1.00 0.00 C ATOM 271 O HIS A 22 -12.486 0.504 -9.096 1.00 0.00 O ATOM 272 CB HIS A 22 -15.106 1.717 -10.450 1.00 0.00 C ATOM 273 CG HIS A 22 -14.669 2.055 -11.842 1.00 0.00 C ATOM 274 ND1 HIS A 22 -14.710 3.334 -12.355 1.00 0.00 N ATOM 275 CD2 HIS A 22 -14.178 1.270 -12.830 1.00 0.00 C ATOM 276 CE1 HIS A 22 -14.264 3.322 -13.599 1.00 0.00 C ATOM 277 NE2 HIS A 22 -13.934 2.082 -13.911 1.00 0.00 N ATOM 0 H HIS A 22 -14.539 4.107 -10.186 1.00 0.00 H new ATOM 0 HA HIS A 22 -14.519 1.910 -8.393 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -15.207 0.635 -10.362 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -16.093 2.145 -10.274 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -14.010 0.204 -12.778 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -14.183 4.180 -14.250 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -13.559 1.777 -14.809 1.00 0.00 H new ATOM 286 N ASP A 23 -11.906 2.318 -10.294 1.00 0.00 N ATOM 287 CA ASP A 23 -10.554 1.843 -10.565 1.00 0.00 C ATOM 288 C ASP A 23 -9.519 2.876 -10.130 1.00 0.00 C ATOM 289 O ASP A 23 -8.460 3.006 -10.745 1.00 0.00 O ATOM 290 CB ASP A 23 -10.388 1.531 -12.052 1.00 0.00 C ATOM 291 CG ASP A 23 -10.106 2.772 -12.877 1.00 0.00 C ATOM 292 OD1 ASP A 23 -10.643 3.845 -12.535 1.00 0.00 O ATOM 293 OD2 ASP A 23 -9.348 2.669 -13.864 1.00 0.00 O ATOM 0 H ASP A 23 -12.122 3.229 -10.698 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.394 0.930 -9.991 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.573 0.819 -12.182 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.293 1.050 -12.422 1.00 0.00 H new ATOM 298 N THR A 24 -9.832 3.610 -9.067 1.00 0.00 N ATOM 299 CA THR A 24 -8.931 4.633 -8.552 1.00 0.00 C ATOM 300 C THR A 24 -8.930 4.648 -7.028 1.00 0.00 C ATOM 301 O THR A 24 -9.985 4.727 -6.398 1.00 0.00 O ATOM 302 CB THR A 24 -9.317 6.033 -9.067 1.00 0.00 C ATOM 303 OG1 THR A 24 -9.623 5.973 -10.465 1.00 0.00 O ATOM 304 CG2 THR A 24 -8.189 7.026 -8.832 1.00 0.00 C ATOM 0 H THR A 24 -10.704 3.515 -8.546 1.00 0.00 H new ATOM 0 HA THR A 24 -7.932 4.384 -8.911 1.00 0.00 H new ATOM 0 HB THR A 24 -10.196 6.369 -8.517 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.945 6.848 -10.767 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.485 8.007 -9.204 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.978 7.091 -7.765 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.295 6.693 -9.359 1.00 0.00 H new ATOM 312 N ILE A 25 -7.740 4.572 -6.441 1.00 0.00 N ATOM 313 CA ILE A 25 -7.603 4.578 -4.990 1.00 0.00 C ATOM 314 C ILE A 25 -6.258 5.159 -4.568 1.00 0.00 C ATOM 315 O ILE A 25 -5.206 4.588 -4.854 1.00 0.00 O ATOM 316 CB ILE A 25 -7.743 3.161 -4.405 1.00 0.00 C ATOM 317 CG1 ILE A 25 -9.109 2.571 -4.762 1.00 0.00 C ATOM 318 CG2 ILE A 25 -7.550 3.189 -2.896 1.00 0.00 C ATOM 319 CD1 ILE A 25 -9.376 1.230 -4.115 1.00 0.00 C ATOM 0 H ILE A 25 -6.857 4.506 -6.948 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.406 5.204 -4.600 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.970 2.527 -4.839 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.888 3.272 -4.462 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.177 2.463 -5.844 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.652 2.180 -2.497 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.557 3.572 -2.663 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.303 3.835 -2.445 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -10.362 0.872 -4.412 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.619 0.514 -4.435 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.340 1.336 -3.031 1.00 0.00 H new ATOM 331 N ARG A 26 -6.300 6.298 -3.884 1.00 0.00 N ATOM 332 CA ARG A 26 -5.084 6.957 -3.421 1.00 0.00 C ATOM 333 C ARG A 26 -4.645 6.400 -2.069 1.00 0.00 C ATOM 334 O ARG A 26 -5.432 6.348 -1.124 1.00 0.00 O ATOM 335 CB ARG A 26 -5.305 8.467 -3.315 1.00 0.00 C ATOM 336 CG ARG A 26 -4.033 9.250 -3.035 1.00 0.00 C ATOM 337 CD ARG A 26 -4.206 10.726 -3.358 1.00 0.00 C ATOM 338 NE ARG A 26 -2.942 11.454 -3.285 1.00 0.00 N ATOM 339 CZ ARG A 26 -2.795 12.713 -3.685 1.00 0.00 C ATOM 340 NH1 ARG A 26 -3.828 13.379 -4.181 1.00 0.00 N ATOM 341 NH2 ARG A 26 -1.613 13.307 -3.586 1.00 0.00 N ATOM 0 H ARG A 26 -7.163 6.784 -3.638 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.296 6.763 -4.148 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.746 8.827 -4.244 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -6.026 8.665 -2.522 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -3.757 9.136 -1.987 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -3.214 8.840 -3.627 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -4.628 10.831 -4.358 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -4.920 11.168 -2.663 1.00 0.00 H new ATOM 0 HE ARG A 26 -2.128 10.970 -2.907 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -4.739 12.925 -4.256 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.712 14.345 -4.487 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -0.817 12.798 -3.203 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -1.500 14.273 -3.893 1.00 0.00 H new ATOM 355 N ILE A 27 -3.385 5.986 -1.987 1.00 0.00 N ATOM 356 CA ILE A 27 -2.842 5.434 -0.752 1.00 0.00 C ATOM 357 C ILE A 27 -1.722 6.311 -0.204 1.00 0.00 C ATOM 358 O ILE A 27 -0.612 6.327 -0.738 1.00 0.00 O ATOM 359 CB ILE A 27 -2.305 4.006 -0.962 1.00 0.00 C ATOM 360 CG1 ILE A 27 -3.411 3.096 -1.502 1.00 0.00 C ATOM 361 CG2 ILE A 27 -1.747 3.454 0.341 1.00 0.00 C ATOM 362 CD1 ILE A 27 -4.611 2.995 -0.587 1.00 0.00 C ATOM 0 H ILE A 27 -2.721 6.022 -2.761 1.00 0.00 H new ATOM 0 HA ILE A 27 -3.661 5.403 -0.033 1.00 0.00 H new ATOM 0 HB ILE A 27 -1.499 4.040 -1.695 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.735 3.469 -2.473 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -3.003 2.098 -1.664 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.371 2.444 0.177 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.934 4.092 0.688 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.535 3.430 1.093 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -5.354 2.334 -1.033 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -4.300 2.593 0.377 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -5.044 3.985 -0.445 1.00 0.00 H new ATOM 374 N THR A 28 -2.018 7.040 0.868 1.00 0.00 N ATOM 375 CA THR A 28 -1.036 7.919 1.489 1.00 0.00 C ATOM 376 C THR A 28 -0.633 7.407 2.867 1.00 0.00 C ATOM 377 O THR A 28 -1.474 6.941 3.636 1.00 0.00 O ATOM 378 CB THR A 28 -1.576 9.356 1.626 1.00 0.00 C ATOM 379 OG1 THR A 28 -2.864 9.338 2.250 1.00 0.00 O ATOM 380 CG2 THR A 28 -1.675 10.028 0.265 1.00 0.00 C ATOM 0 H THR A 28 -2.930 7.039 1.324 1.00 0.00 H new ATOM 0 HA THR A 28 -0.162 7.927 0.837 1.00 0.00 H new ATOM 0 HB THR A 28 -0.882 9.924 2.245 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.199 10.255 2.335 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.058 11.041 0.386 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.687 10.066 -0.194 1.00 0.00 H new ATOM 0 HG23 THR A 28 -2.350 9.459 -0.374 1.00 0.00 H new ATOM 388 N TRP A 29 0.656 7.496 3.173 1.00 0.00 N ATOM 389 CA TRP A 29 1.170 7.042 4.460 1.00 0.00 C ATOM 390 C TRP A 29 2.258 7.978 4.973 1.00 0.00 C ATOM 391 O TRP A 29 2.593 8.969 4.325 1.00 0.00 O ATOM 392 CB TRP A 29 1.718 5.619 4.339 1.00 0.00 C ATOM 393 CG TRP A 29 2.885 5.509 3.404 1.00 0.00 C ATOM 394 CD1 TRP A 29 4.204 5.675 3.717 1.00 0.00 C ATOM 395 CD2 TRP A 29 2.837 5.212 2.005 1.00 0.00 C ATOM 396 NE1 TRP A 29 4.979 5.498 2.596 1.00 0.00 N ATOM 397 CE2 TRP A 29 4.164 5.213 1.533 1.00 0.00 C ATOM 398 CE3 TRP A 29 1.802 4.944 1.105 1.00 0.00 C ATOM 399 CZ2 TRP A 29 4.480 4.957 0.201 1.00 0.00 C ATOM 400 CZ3 TRP A 29 2.117 4.690 -0.217 1.00 0.00 C ATOM 401 CH2 TRP A 29 3.447 4.697 -0.658 1.00 0.00 C ATOM 0 H TRP A 29 1.365 7.879 2.547 1.00 0.00 H new ATOM 0 HA TRP A 29 0.347 7.048 5.175 1.00 0.00 H new ATOM 0 HB2 TRP A 29 2.018 5.268 5.326 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.922 4.959 3.994 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.582 5.911 4.701 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.996 5.568 2.561 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.774 4.935 1.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.504 4.963 -0.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 1.325 4.483 -0.921 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.661 4.493 -1.697 1.00 0.00 H new ATOM 412 N ALA A 30 2.808 7.656 6.139 1.00 0.00 N ATOM 413 CA ALA A 30 3.861 8.467 6.737 1.00 0.00 C ATOM 414 C ALA A 30 4.905 7.593 7.424 1.00 0.00 C ATOM 415 O ALA A 30 4.756 6.373 7.496 1.00 0.00 O ATOM 416 CB ALA A 30 3.266 9.458 7.727 1.00 0.00 C ATOM 0 H ALA A 30 2.542 6.839 6.688 1.00 0.00 H new ATOM 0 HA ALA A 30 4.357 9.020 5.939 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.064 10.057 8.166 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.564 10.112 7.210 1.00 0.00 H new ATOM 0 HB3 ALA A 30 2.744 8.916 8.515 1.00 0.00 H new ATOM 422 N ASP A 31 5.960 8.225 7.926 1.00 0.00 N ATOM 423 CA ASP A 31 7.029 7.504 8.608 1.00 0.00 C ATOM 424 C ASP A 31 7.778 8.423 9.568 1.00 0.00 C ATOM 425 O ASP A 31 8.509 9.317 9.143 1.00 0.00 O ATOM 426 CB ASP A 31 8.002 6.908 7.589 1.00 0.00 C ATOM 427 CG ASP A 31 8.945 5.897 8.211 1.00 0.00 C ATOM 428 OD1 ASP A 31 9.152 5.958 9.441 1.00 0.00 O ATOM 429 OD2 ASP A 31 9.474 5.044 7.468 1.00 0.00 O ATOM 0 H ASP A 31 6.098 9.234 7.874 1.00 0.00 H new ATOM 0 HA ASP A 31 6.579 6.696 9.184 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.437 6.429 6.789 1.00 0.00 H new ATOM 0 HB3 ASP A 31 8.583 7.710 7.134 1.00 0.00 H new ATOM 434 N ASN A 32 7.589 8.197 10.864 1.00 0.00 N ATOM 435 CA ASN A 32 8.246 9.006 11.884 1.00 0.00 C ATOM 436 C ASN A 32 9.760 8.830 11.827 1.00 0.00 C ATOM 437 O ASN A 32 10.514 9.722 12.215 1.00 0.00 O ATOM 438 CB ASN A 32 7.729 8.630 13.274 1.00 0.00 C ATOM 439 CG ASN A 32 6.310 9.107 13.512 1.00 0.00 C ATOM 440 OD1 ASN A 32 6.038 10.307 13.510 1.00 0.00 O ATOM 441 ND2 ASN A 32 5.396 8.165 13.719 1.00 0.00 N ATOM 0 H ASN A 32 6.987 7.461 11.232 1.00 0.00 H new ATOM 0 HA ASN A 32 8.013 10.053 11.688 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.770 7.547 13.393 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.385 9.059 14.031 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.424 8.425 13.885 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.667 7.182 13.712 1.00 0.00 H new ATOM 448 N SER A 33 10.198 7.673 11.340 1.00 0.00 N ATOM 449 CA SER A 33 11.622 7.378 11.234 1.00 0.00 C ATOM 450 C SER A 33 12.338 8.443 10.409 1.00 0.00 C ATOM 451 O SER A 33 13.459 8.843 10.728 1.00 0.00 O ATOM 452 CB SER A 33 11.833 6.000 10.604 1.00 0.00 C ATOM 453 OG SER A 33 13.204 5.640 10.614 1.00 0.00 O ATOM 0 H SER A 33 9.587 6.925 11.013 1.00 0.00 H new ATOM 0 HA SER A 33 12.044 7.378 12.239 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.254 5.255 11.149 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.462 6.004 9.579 1.00 0.00 H new ATOM 0 HG SER A 33 13.313 4.755 10.208 1.00 0.00 H new ATOM 459 N LEU A 34 11.683 8.898 9.347 1.00 0.00 N ATOM 460 CA LEU A 34 12.256 9.917 8.474 1.00 0.00 C ATOM 461 C LEU A 34 12.978 10.987 9.287 1.00 0.00 C ATOM 462 O LEU A 34 12.607 11.296 10.420 1.00 0.00 O ATOM 463 CB LEU A 34 11.161 10.560 7.621 1.00 0.00 C ATOM 464 CG LEU A 34 10.593 9.696 6.495 1.00 0.00 C ATOM 465 CD1 LEU A 34 9.335 10.329 5.919 1.00 0.00 C ATOM 466 CD2 LEU A 34 11.634 9.487 5.406 1.00 0.00 C ATOM 0 H LEU A 34 10.755 8.578 9.069 1.00 0.00 H new ATOM 0 HA LEU A 34 12.981 9.434 7.819 1.00 0.00 H new ATOM 0 HB2 LEU A 34 10.341 10.851 8.277 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.560 11.475 7.184 1.00 0.00 H new ATOM 0 HG LEU A 34 10.329 8.723 6.908 1.00 0.00 H new ATOM 0 HD11 LEU A 34 8.945 9.700 5.119 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.584 10.426 6.703 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.573 11.316 5.522 1.00 0.00 H new ATOM 0 HD21 LEU A 34 11.212 8.870 4.613 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.930 10.452 4.996 1.00 0.00 H new ATOM 0 HD23 LEU A 34 12.507 8.989 5.828 1.00 0.00 H new ATOM 478 N PRO A 35 14.032 11.569 8.696 1.00 0.00 N ATOM 479 CA PRO A 35 14.826 12.616 9.346 1.00 0.00 C ATOM 480 C PRO A 35 14.057 13.925 9.484 1.00 0.00 C ATOM 481 O PRO A 35 12.847 13.973 9.261 1.00 0.00 O ATOM 482 CB PRO A 35 16.019 12.794 8.403 1.00 0.00 C ATOM 483 CG PRO A 35 15.519 12.349 7.072 1.00 0.00 C ATOM 484 CD PRO A 35 14.529 11.250 7.347 1.00 0.00 C ATOM 0 HA PRO A 35 15.106 12.342 10.363 1.00 0.00 H new ATOM 0 HB2 PRO A 35 16.350 13.832 8.375 1.00 0.00 H new ATOM 0 HB3 PRO A 35 16.871 12.196 8.726 1.00 0.00 H new ATOM 0 HG2 PRO A 35 15.048 13.173 6.537 1.00 0.00 H new ATOM 0 HG3 PRO A 35 16.337 11.990 6.448 1.00 0.00 H new ATOM 0 HD2 PRO A 35 13.723 11.242 6.613 1.00 0.00 H new ATOM 0 HD3 PRO A 35 15.000 10.267 7.314 1.00 0.00 H new ATOM 492 N LYS A 36 14.766 14.987 9.853 1.00 0.00 N ATOM 493 CA LYS A 36 14.151 16.298 10.020 1.00 0.00 C ATOM 494 C LYS A 36 13.069 16.529 8.969 1.00 0.00 C ATOM 495 O LYS A 36 11.920 16.820 9.301 1.00 0.00 O ATOM 496 CB LYS A 36 15.212 17.397 9.926 1.00 0.00 C ATOM 497 CG LYS A 36 15.919 17.674 11.241 1.00 0.00 C ATOM 498 CD LYS A 36 17.272 18.329 11.019 1.00 0.00 C ATOM 499 CE LYS A 36 17.125 19.735 10.457 1.00 0.00 C ATOM 500 NZ LYS A 36 16.959 20.749 11.536 1.00 0.00 N ATOM 0 H LYS A 36 15.768 14.965 10.042 1.00 0.00 H new ATOM 0 HA LYS A 36 13.688 16.332 11.006 1.00 0.00 H new ATOM 0 HB2 LYS A 36 15.952 17.113 9.178 1.00 0.00 H new ATOM 0 HB3 LYS A 36 14.741 18.316 9.576 1.00 0.00 H new ATOM 0 HG2 LYS A 36 15.298 18.321 11.860 1.00 0.00 H new ATOM 0 HG3 LYS A 36 16.051 16.740 11.788 1.00 0.00 H new ATOM 0 HD2 LYS A 36 17.818 18.368 11.962 1.00 0.00 H new ATOM 0 HD3 LYS A 36 17.863 17.722 10.333 1.00 0.00 H new ATOM 0 HE2 LYS A 36 18.003 19.981 9.859 1.00 0.00 H new ATOM 0 HE3 LYS A 36 16.264 19.771 9.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 16.862 21.694 11.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 16.107 20.529 12.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 17.792 20.733 12.159 1.00 0.00 H new ATOM 514 N HIS A 37 13.445 16.397 7.701 1.00 0.00 N ATOM 515 CA HIS A 37 12.506 16.590 6.602 1.00 0.00 C ATOM 516 C HIS A 37 11.891 15.261 6.173 1.00 0.00 C ATOM 517 O HIS A 37 12.435 14.195 6.460 1.00 0.00 O ATOM 518 CB HIS A 37 13.207 17.248 5.413 1.00 0.00 C ATOM 519 CG HIS A 37 14.440 16.524 4.969 1.00 0.00 C ATOM 520 ND1 HIS A 37 14.410 15.276 4.382 1.00 0.00 N ATOM 521 CD2 HIS A 37 15.745 16.879 5.027 1.00 0.00 C ATOM 522 CE1 HIS A 37 15.643 14.895 4.100 1.00 0.00 C ATOM 523 NE2 HIS A 37 16.472 15.850 4.481 1.00 0.00 N ATOM 0 H HIS A 37 14.393 16.157 7.409 1.00 0.00 H new ATOM 0 HA HIS A 37 11.707 17.245 6.951 1.00 0.00 H new ATOM 0 HB2 HIS A 37 12.509 17.307 4.578 1.00 0.00 H new ATOM 0 HB3 HIS A 37 13.472 18.271 5.679 1.00 0.00 H new ATOM 0 HD2 HIS A 37 16.141 17.800 5.428 1.00 0.00 H new ATOM 0 HE1 HIS A 37 15.925 13.961 3.637 1.00 0.00 H new ATOM 0 HE2 HIS A 37 17.487 15.827 4.385 1.00 0.00 H new ATOM 532 N GLN A 38 10.756 15.334 5.485 1.00 0.00 N ATOM 533 CA GLN A 38 10.068 14.136 5.018 1.00 0.00 C ATOM 534 C GLN A 38 10.727 13.586 3.757 1.00 0.00 C ATOM 535 O GLN A 38 10.772 12.374 3.545 1.00 0.00 O ATOM 536 CB GLN A 38 8.595 14.442 4.746 1.00 0.00 C ATOM 537 CG GLN A 38 7.711 14.322 5.977 1.00 0.00 C ATOM 538 CD GLN A 38 8.446 14.664 7.258 1.00 0.00 C ATOM 539 OE1 GLN A 38 9.006 15.752 7.395 1.00 0.00 O ATOM 540 NE2 GLN A 38 8.447 13.735 8.207 1.00 0.00 N ATOM 0 H GLN A 38 10.294 16.209 5.239 1.00 0.00 H new ATOM 0 HA GLN A 38 10.136 13.380 5.800 1.00 0.00 H new ATOM 0 HB2 GLN A 38 8.510 15.452 4.345 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.227 13.762 3.977 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.851 14.983 5.868 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.325 13.305 6.045 1.00 0.00 H new ATOM 0 HE21 GLN A 38 7.970 12.847 8.052 1.00 0.00 H new ATOM 0 HE22 GLN A 38 8.924 13.910 9.091 1.00 0.00 H new ATOM 549 N LYS A 39 11.237 14.485 2.922 1.00 0.00 N ATOM 550 CA LYS A 39 11.894 14.092 1.681 1.00 0.00 C ATOM 551 C LYS A 39 12.661 12.785 1.863 1.00 0.00 C ATOM 552 O LYS A 39 13.700 12.751 2.523 1.00 0.00 O ATOM 553 CB LYS A 39 12.848 15.194 1.213 1.00 0.00 C ATOM 554 CG LYS A 39 13.102 15.182 -0.284 1.00 0.00 C ATOM 555 CD LYS A 39 11.974 15.855 -1.047 1.00 0.00 C ATOM 556 CE LYS A 39 12.395 16.212 -2.464 1.00 0.00 C ATOM 557 NZ LYS A 39 12.343 15.032 -3.372 1.00 0.00 N ATOM 0 H LYS A 39 11.208 15.492 3.082 1.00 0.00 H new ATOM 0 HA LYS A 39 11.125 13.940 0.924 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.437 16.163 1.496 1.00 0.00 H new ATOM 0 HB3 LYS A 39 13.799 15.086 1.735 1.00 0.00 H new ATOM 0 HG2 LYS A 39 14.042 15.691 -0.498 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.211 14.153 -0.627 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.109 15.192 -1.079 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.665 16.758 -0.520 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.744 16.996 -2.850 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.407 16.616 -2.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.637 15.316 -4.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.984 14.293 -3.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.372 14.661 -3.404 1.00 0.00 H new ATOM 571 N ILE A 40 12.143 11.714 1.272 1.00 0.00 N ATOM 572 CA ILE A 40 12.780 10.407 1.367 1.00 0.00 C ATOM 573 C ILE A 40 14.045 10.349 0.517 1.00 0.00 C ATOM 574 O ILE A 40 13.997 10.012 -0.667 1.00 0.00 O ATOM 575 CB ILE A 40 11.826 9.281 0.924 1.00 0.00 C ATOM 576 CG1 ILE A 40 10.463 9.444 1.599 1.00 0.00 C ATOM 577 CG2 ILE A 40 12.425 7.921 1.249 1.00 0.00 C ATOM 578 CD1 ILE A 40 9.329 8.799 0.833 1.00 0.00 C ATOM 0 H ILE A 40 11.284 11.726 0.722 1.00 0.00 H new ATOM 0 HA ILE A 40 13.041 10.259 2.415 1.00 0.00 H new ATOM 0 HB ILE A 40 11.686 9.346 -0.155 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.508 9.012 2.599 1.00 0.00 H new ATOM 0 HG13 ILE A 40 10.251 10.506 1.720 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.739 7.136 0.930 1.00 0.00 H new ATOM 0 HG22 ILE A 40 13.375 7.808 0.727 1.00 0.00 H new ATOM 0 HG23 ILE A 40 12.591 7.844 2.324 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.393 8.954 1.370 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.258 9.248 -0.158 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.518 7.730 0.735 1.00 0.00 H new ATOM 590 N THR A 41 15.178 10.678 1.129 1.00 0.00 N ATOM 591 CA THR A 41 16.457 10.664 0.429 1.00 0.00 C ATOM 592 C THR A 41 17.457 9.751 1.131 1.00 0.00 C ATOM 593 O THR A 41 18.616 10.118 1.324 1.00 0.00 O ATOM 594 CB THR A 41 17.056 12.079 0.325 1.00 0.00 C ATOM 595 OG1 THR A 41 17.109 12.686 1.620 1.00 0.00 O ATOM 596 CG2 THR A 41 16.232 12.947 -0.615 1.00 0.00 C ATOM 0 H THR A 41 15.236 10.958 2.108 1.00 0.00 H new ATOM 0 HA THR A 41 16.265 10.285 -0.575 1.00 0.00 H new ATOM 0 HB THR A 41 18.066 11.993 -0.076 1.00 0.00 H new ATOM 0 HG1 THR A 41 17.493 13.585 1.545 1.00 0.00 H new ATOM 0 HG21 THR A 41 16.674 13.942 -0.673 1.00 0.00 H new ATOM 0 HG22 THR A 41 16.219 12.497 -1.608 1.00 0.00 H new ATOM 0 HG23 THR A 41 15.212 13.024 -0.238 1.00 0.00 H new ATOM 604 N ASP A 42 17.001 8.562 1.509 1.00 0.00 N ATOM 605 CA ASP A 42 17.857 7.596 2.188 1.00 0.00 C ATOM 606 C ASP A 42 18.029 6.336 1.345 1.00 0.00 C ATOM 607 O ASP A 42 18.017 5.222 1.868 1.00 0.00 O ATOM 608 CB ASP A 42 17.272 7.235 3.554 1.00 0.00 C ATOM 609 CG ASP A 42 18.330 6.758 4.529 1.00 0.00 C ATOM 610 OD1 ASP A 42 19.104 7.604 5.025 1.00 0.00 O ATOM 611 OD2 ASP A 42 18.384 5.540 4.797 1.00 0.00 O ATOM 0 H ASP A 42 16.044 8.244 1.357 1.00 0.00 H new ATOM 0 HA ASP A 42 18.836 8.053 2.331 1.00 0.00 H new ATOM 0 HB2 ASP A 42 16.765 8.105 3.970 1.00 0.00 H new ATOM 0 HB3 ASP A 42 16.519 6.456 3.429 1.00 0.00 H new ATOM 616 N SER A 43 18.187 6.521 0.039 1.00 0.00 N ATOM 617 CA SER A 43 18.356 5.399 -0.877 1.00 0.00 C ATOM 618 C SER A 43 17.401 4.263 -0.526 1.00 0.00 C ATOM 619 O SER A 43 17.788 3.094 -0.510 1.00 0.00 O ATOM 620 CB SER A 43 19.801 4.896 -0.840 1.00 0.00 C ATOM 621 OG SER A 43 20.140 4.230 -2.044 1.00 0.00 O ATOM 0 H SER A 43 18.202 7.437 -0.409 1.00 0.00 H new ATOM 0 HA SER A 43 18.125 5.746 -1.884 1.00 0.00 H new ATOM 0 HB2 SER A 43 20.478 5.736 -0.682 1.00 0.00 H new ATOM 0 HB3 SER A 43 19.932 4.218 0.004 1.00 0.00 H new ATOM 0 HG SER A 43 21.068 3.920 -1.996 1.00 0.00 H new ATOM 627 N ARG A 44 16.151 4.614 -0.246 1.00 0.00 N ATOM 628 CA ARG A 44 15.139 3.625 0.107 1.00 0.00 C ATOM 629 C ARG A 44 13.922 3.744 -0.805 1.00 0.00 C ATOM 630 O ARG A 44 13.588 4.833 -1.274 1.00 0.00 O ATOM 631 CB ARG A 44 14.715 3.796 1.566 1.00 0.00 C ATOM 632 CG ARG A 44 13.592 4.801 1.761 1.00 0.00 C ATOM 633 CD ARG A 44 13.113 4.830 3.204 1.00 0.00 C ATOM 634 NE ARG A 44 13.912 5.733 4.028 1.00 0.00 N ATOM 635 CZ ARG A 44 13.813 5.802 5.351 1.00 0.00 C ATOM 636 NH1 ARG A 44 12.954 5.026 5.996 1.00 0.00 N ATOM 637 NH2 ARG A 44 14.575 6.650 6.031 1.00 0.00 N ATOM 0 H ARG A 44 15.814 5.577 -0.257 1.00 0.00 H new ATOM 0 HA ARG A 44 15.574 2.634 -0.024 1.00 0.00 H new ATOM 0 HB2 ARG A 44 14.399 2.830 1.959 1.00 0.00 H new ATOM 0 HB3 ARG A 44 15.579 4.111 2.152 1.00 0.00 H new ATOM 0 HG2 ARG A 44 13.937 5.794 1.471 1.00 0.00 H new ATOM 0 HG3 ARG A 44 12.759 4.549 1.105 1.00 0.00 H new ATOM 0 HD2 ARG A 44 12.069 5.141 3.233 1.00 0.00 H new ATOM 0 HD3 ARG A 44 13.157 3.824 3.621 1.00 0.00 H new ATOM 0 HE ARG A 44 14.583 6.344 3.562 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.367 4.374 5.477 1.00 0.00 H new ATOM 0 HH12 ARG A 44 12.880 5.081 7.012 1.00 0.00 H new ATOM 0 HH21 ARG A 44 15.237 7.249 5.538 1.00 0.00 H new ATOM 0 HH22 ARG A 44 14.499 6.703 7.047 1.00 0.00 H new ATOM 651 N TYR A 45 13.263 2.618 -1.053 1.00 0.00 N ATOM 652 CA TYR A 45 12.084 2.595 -1.911 1.00 0.00 C ATOM 653 C TYR A 45 10.926 1.877 -1.227 1.00 0.00 C ATOM 654 O TYR A 45 11.127 0.912 -0.489 1.00 0.00 O ATOM 655 CB TYR A 45 12.408 1.911 -3.241 1.00 0.00 C ATOM 656 CG TYR A 45 12.584 0.414 -3.125 1.00 0.00 C ATOM 657 CD1 TYR A 45 13.658 -0.127 -2.429 1.00 0.00 C ATOM 658 CD2 TYR A 45 11.677 -0.459 -3.711 1.00 0.00 C ATOM 659 CE1 TYR A 45 13.823 -1.494 -2.320 1.00 0.00 C ATOM 660 CE2 TYR A 45 11.833 -1.828 -3.607 1.00 0.00 C ATOM 661 CZ TYR A 45 12.908 -2.341 -2.911 1.00 0.00 C ATOM 662 OH TYR A 45 13.068 -3.703 -2.806 1.00 0.00 O ATOM 0 H TYR A 45 13.525 1.709 -0.672 1.00 0.00 H new ATOM 0 HA TYR A 45 11.786 3.626 -2.103 1.00 0.00 H new ATOM 0 HB2 TYR A 45 11.609 2.120 -3.952 1.00 0.00 H new ATOM 0 HB3 TYR A 45 13.320 2.345 -3.650 1.00 0.00 H new ATOM 0 HD1 TYR A 45 14.376 0.533 -1.965 1.00 0.00 H new ATOM 0 HD2 TYR A 45 10.835 -0.061 -4.258 1.00 0.00 H new ATOM 0 HE1 TYR A 45 14.664 -1.898 -1.775 1.00 0.00 H new ATOM 0 HE2 TYR A 45 11.117 -2.493 -4.068 1.00 0.00 H new ATOM 0 HH TYR A 45 12.337 -4.155 -3.277 1.00 0.00 H new ATOM 672 N TYR A 46 9.712 2.354 -1.477 1.00 0.00 N ATOM 673 CA TYR A 46 8.519 1.760 -0.884 1.00 0.00 C ATOM 674 C TYR A 46 7.840 0.808 -1.864 1.00 0.00 C ATOM 675 O TYR A 46 7.801 1.061 -3.069 1.00 0.00 O ATOM 676 CB TYR A 46 7.539 2.852 -0.454 1.00 0.00 C ATOM 677 CG TYR A 46 7.824 3.415 0.920 1.00 0.00 C ATOM 678 CD1 TYR A 46 7.647 2.640 2.060 1.00 0.00 C ATOM 679 CD2 TYR A 46 8.270 4.722 1.079 1.00 0.00 C ATOM 680 CE1 TYR A 46 7.906 3.150 3.317 1.00 0.00 C ATOM 681 CE2 TYR A 46 8.532 5.239 2.332 1.00 0.00 C ATOM 682 CZ TYR A 46 8.348 4.450 3.448 1.00 0.00 C ATOM 683 OH TYR A 46 8.607 4.963 4.699 1.00 0.00 O ATOM 0 H TYR A 46 9.528 3.151 -2.087 1.00 0.00 H new ATOM 0 HA TYR A 46 8.826 1.191 -0.006 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.568 3.662 -1.183 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.527 2.447 -0.469 1.00 0.00 H new ATOM 0 HD1 TYR A 46 7.301 1.622 1.961 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.414 5.343 0.208 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.763 2.534 4.193 1.00 0.00 H new ATOM 0 HE2 TYR A 46 8.879 6.256 2.438 1.00 0.00 H new ATOM 0 HH TYR A 46 8.926 4.247 5.287 1.00 0.00 H new ATOM 693 N THR A 47 7.304 -0.289 -1.339 1.00 0.00 N ATOM 694 CA THR A 47 6.626 -1.280 -2.165 1.00 0.00 C ATOM 695 C THR A 47 5.159 -1.411 -1.774 1.00 0.00 C ATOM 696 O THR A 47 4.837 -1.865 -0.675 1.00 0.00 O ATOM 697 CB THR A 47 7.300 -2.660 -2.054 1.00 0.00 C ATOM 698 OG1 THR A 47 8.627 -2.602 -2.589 1.00 0.00 O ATOM 699 CG2 THR A 47 6.495 -3.717 -2.795 1.00 0.00 C ATOM 0 H THR A 47 7.326 -0.514 -0.344 1.00 0.00 H new ATOM 0 HA THR A 47 6.695 -0.932 -3.196 1.00 0.00 H new ATOM 0 HB THR A 47 7.345 -2.933 -1.000 1.00 0.00 H new ATOM 0 HG1 THR A 47 9.049 -3.483 -2.513 1.00 0.00 H new ATOM 0 HG21 THR A 47 6.991 -4.683 -2.702 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.495 -3.780 -2.366 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.422 -3.446 -3.848 1.00 0.00 H new ATOM 707 N VAL A 48 4.271 -1.012 -2.679 1.00 0.00 N ATOM 708 CA VAL A 48 2.837 -1.087 -2.429 1.00 0.00 C ATOM 709 C VAL A 48 2.231 -2.330 -3.070 1.00 0.00 C ATOM 710 O VAL A 48 2.271 -2.494 -4.289 1.00 0.00 O ATOM 711 CB VAL A 48 2.108 0.160 -2.965 1.00 0.00 C ATOM 712 CG1 VAL A 48 0.615 0.065 -2.690 1.00 0.00 C ATOM 713 CG2 VAL A 48 2.692 1.423 -2.350 1.00 0.00 C ATOM 0 H VAL A 48 4.520 -0.633 -3.593 1.00 0.00 H new ATOM 0 HA VAL A 48 2.707 -1.139 -1.348 1.00 0.00 H new ATOM 0 HB VAL A 48 2.252 0.208 -4.044 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.117 0.954 -3.076 1.00 0.00 H new ATOM 0 HG12 VAL A 48 0.210 -0.820 -3.182 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.447 -0.008 -1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.166 2.294 -2.739 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.580 1.386 -1.266 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.750 1.495 -2.603 1.00 0.00 H new ATOM 723 N ARG A 49 1.671 -3.204 -2.240 1.00 0.00 N ATOM 724 CA ARG A 49 1.057 -4.434 -2.725 1.00 0.00 C ATOM 725 C ARG A 49 -0.464 -4.313 -2.741 1.00 0.00 C ATOM 726 O ARG A 49 -1.037 -3.467 -2.053 1.00 0.00 O ATOM 727 CB ARG A 49 1.476 -5.617 -1.852 1.00 0.00 C ATOM 728 CG ARG A 49 1.149 -5.434 -0.379 1.00 0.00 C ATOM 729 CD ARG A 49 0.877 -6.766 0.301 1.00 0.00 C ATOM 730 NE ARG A 49 2.024 -7.667 0.219 1.00 0.00 N ATOM 731 CZ ARG A 49 2.061 -8.864 0.794 1.00 0.00 C ATOM 732 NH1 ARG A 49 1.021 -9.301 1.490 1.00 0.00 N ATOM 733 NH2 ARG A 49 3.141 -9.625 0.673 1.00 0.00 N ATOM 0 H ARG A 49 1.630 -3.083 -1.228 1.00 0.00 H new ATOM 0 HA ARG A 49 1.401 -4.604 -3.745 1.00 0.00 H new ATOM 0 HB2 ARG A 49 0.983 -6.518 -2.216 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.549 -5.775 -1.960 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.979 -4.933 0.119 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.278 -4.787 -0.276 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.625 -6.594 1.347 1.00 0.00 H new ATOM 0 HD3 ARG A 49 0.011 -7.239 -0.162 1.00 0.00 H new ATOM 0 HE ARG A 49 2.841 -7.360 -0.309 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.190 -8.718 1.585 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.052 -10.220 1.930 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.943 -9.291 0.138 1.00 0.00 H new ATOM 0 HH22 ARG A 49 3.169 -10.544 1.115 1.00 0.00 H new ATOM 747 N TRP A 50 -1.112 -5.163 -3.530 1.00 0.00 N ATOM 748 CA TRP A 50 -2.566 -5.151 -3.635 1.00 0.00 C ATOM 749 C TRP A 50 -3.081 -6.463 -4.216 1.00 0.00 C ATOM 750 O TRP A 50 -2.501 -7.007 -5.156 1.00 0.00 O ATOM 751 CB TRP A 50 -3.026 -3.979 -4.504 1.00 0.00 C ATOM 752 CG TRP A 50 -2.571 -4.081 -5.928 1.00 0.00 C ATOM 753 CD1 TRP A 50 -3.247 -4.660 -6.965 1.00 0.00 C ATOM 754 CD2 TRP A 50 -1.340 -3.594 -6.472 1.00 0.00 C ATOM 755 NE1 TRP A 50 -2.510 -4.561 -8.120 1.00 0.00 N ATOM 756 CE2 TRP A 50 -1.336 -3.910 -7.845 1.00 0.00 C ATOM 757 CE3 TRP A 50 -0.241 -2.918 -5.934 1.00 0.00 C ATOM 758 CZ2 TRP A 50 -0.276 -3.575 -8.683 1.00 0.00 C ATOM 759 CZ3 TRP A 50 0.810 -2.587 -6.767 1.00 0.00 C ATOM 760 CH2 TRP A 50 0.787 -2.914 -8.129 1.00 0.00 C ATOM 0 H TRP A 50 -0.653 -5.869 -4.106 1.00 0.00 H new ATOM 0 HA TRP A 50 -2.976 -5.034 -2.632 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -4.114 -3.924 -4.481 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -2.651 -3.049 -4.076 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -4.218 -5.127 -6.888 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -2.791 -4.915 -9.034 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -0.214 -2.659 -4.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -0.292 -3.828 -9.733 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 1.665 -2.067 -6.361 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.624 -2.639 -8.754 1.00 0.00 H new ATOM 771 N LYS A 51 -4.173 -6.967 -3.653 1.00 0.00 N ATOM 772 CA LYS A 51 -4.768 -8.215 -4.116 1.00 0.00 C ATOM 773 C LYS A 51 -6.251 -8.275 -3.764 1.00 0.00 C ATOM 774 O LYS A 51 -6.717 -7.568 -2.870 1.00 0.00 O ATOM 775 CB LYS A 51 -4.038 -9.411 -3.501 1.00 0.00 C ATOM 776 CG LYS A 51 -4.332 -9.609 -2.024 1.00 0.00 C ATOM 777 CD LYS A 51 -5.519 -10.534 -1.811 1.00 0.00 C ATOM 778 CE LYS A 51 -5.163 -11.979 -2.125 1.00 0.00 C ATOM 779 NZ LYS A 51 -6.218 -12.923 -1.665 1.00 0.00 N ATOM 0 H LYS A 51 -4.665 -6.530 -2.874 1.00 0.00 H new ATOM 0 HA LYS A 51 -4.669 -8.255 -5.201 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -4.318 -10.314 -4.043 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.964 -9.279 -3.635 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -3.453 -10.023 -1.529 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -4.534 -8.644 -1.560 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -5.860 -10.458 -0.778 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -6.347 -10.216 -2.444 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -5.018 -12.092 -3.199 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -4.216 -12.232 -1.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.954 -13.894 -1.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -6.315 -12.858 -0.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -7.123 -12.677 -2.114 1.00 0.00 H new ATOM 793 N THR A 52 -6.988 -9.126 -4.471 1.00 0.00 N ATOM 794 CA THR A 52 -8.418 -9.278 -4.233 1.00 0.00 C ATOM 795 C THR A 52 -8.694 -10.407 -3.247 1.00 0.00 C ATOM 796 O THR A 52 -8.076 -11.469 -3.316 1.00 0.00 O ATOM 797 CB THR A 52 -9.179 -9.559 -5.543 1.00 0.00 C ATOM 798 OG1 THR A 52 -8.618 -10.701 -6.200 1.00 0.00 O ATOM 799 CG2 THR A 52 -9.122 -8.354 -6.470 1.00 0.00 C ATOM 0 H THR A 52 -6.618 -9.720 -5.213 1.00 0.00 H new ATOM 0 HA THR A 52 -8.770 -8.336 -3.812 1.00 0.00 H new ATOM 0 HB THR A 52 -10.222 -9.759 -5.297 1.00 0.00 H new ATOM 0 HG1 THR A 52 -9.108 -10.874 -7.031 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.666 -8.575 -7.388 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.576 -7.494 -5.978 1.00 0.00 H new ATOM 0 HG23 THR A 52 -8.083 -8.128 -6.709 1.00 0.00 H new ATOM 807 N ASN A 53 -9.625 -10.171 -2.329 1.00 0.00 N ATOM 808 CA ASN A 53 -9.983 -11.169 -1.328 1.00 0.00 C ATOM 809 C ASN A 53 -10.607 -12.397 -1.983 1.00 0.00 C ATOM 810 O ASN A 53 -10.381 -13.527 -1.548 1.00 0.00 O ATOM 811 CB ASN A 53 -10.954 -10.573 -0.307 1.00 0.00 C ATOM 812 CG ASN A 53 -11.342 -11.567 0.771 1.00 0.00 C ATOM 813 OD1 ASN A 53 -12.525 -11.815 1.005 1.00 0.00 O ATOM 814 ND2 ASN A 53 -10.345 -12.141 1.433 1.00 0.00 N ATOM 0 H ASN A 53 -10.146 -9.297 -2.257 1.00 0.00 H new ATOM 0 HA ASN A 53 -9.071 -11.476 -0.816 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -10.498 -9.698 0.156 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -11.852 -10.230 -0.821 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.545 -12.818 2.169 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.379 -11.905 1.205 1.00 0.00 H new ATOM 821 N ILE A 54 -11.392 -12.168 -3.030 1.00 0.00 N ATOM 822 CA ILE A 54 -12.047 -13.256 -3.746 1.00 0.00 C ATOM 823 C ILE A 54 -11.594 -13.307 -5.201 1.00 0.00 C ATOM 824 O ILE A 54 -11.688 -12.328 -5.942 1.00 0.00 O ATOM 825 CB ILE A 54 -13.580 -13.116 -3.702 1.00 0.00 C ATOM 826 CG1 ILE A 54 -14.074 -13.132 -2.254 1.00 0.00 C ATOM 827 CG2 ILE A 54 -14.237 -14.229 -4.505 1.00 0.00 C ATOM 828 CD1 ILE A 54 -15.475 -12.585 -2.087 1.00 0.00 C ATOM 0 H ILE A 54 -11.590 -11.239 -3.402 1.00 0.00 H new ATOM 0 HA ILE A 54 -11.760 -14.181 -3.246 1.00 0.00 H new ATOM 0 HB ILE A 54 -13.856 -12.161 -4.149 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -14.045 -14.156 -1.880 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -13.389 -12.549 -1.639 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -15.320 -14.116 -4.464 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -13.905 -14.174 -5.542 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -13.957 -15.195 -4.085 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -15.759 -12.627 -1.036 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -15.505 -11.551 -2.430 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -16.171 -13.183 -2.675 1.00 0.00 H new ATOM 840 N PRO A 55 -11.091 -14.477 -5.623 1.00 0.00 N ATOM 841 CA PRO A 55 -10.974 -15.649 -4.751 1.00 0.00 C ATOM 842 C PRO A 55 -9.908 -15.467 -3.676 1.00 0.00 C ATOM 843 O PRO A 55 -9.087 -14.553 -3.751 1.00 0.00 O ATOM 844 CB PRO A 55 -10.576 -16.770 -5.714 1.00 0.00 C ATOM 845 CG PRO A 55 -9.908 -16.074 -6.850 1.00 0.00 C ATOM 846 CD PRO A 55 -10.599 -14.745 -6.985 1.00 0.00 C ATOM 0 HA PRO A 55 -11.897 -15.845 -4.206 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.904 -17.483 -5.236 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -11.448 -17.331 -6.051 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.844 -15.942 -6.656 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -9.995 -16.654 -7.769 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.914 -13.968 -7.325 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -11.415 -14.788 -7.706 1.00 0.00 H new ATOM 854 N ALA A 56 -9.925 -16.344 -2.677 1.00 0.00 N ATOM 855 CA ALA A 56 -8.958 -16.280 -1.588 1.00 0.00 C ATOM 856 C ALA A 56 -7.565 -16.673 -2.068 1.00 0.00 C ATOM 857 O ALA A 56 -6.611 -15.911 -1.923 1.00 0.00 O ATOM 858 CB ALA A 56 -9.396 -17.179 -0.441 1.00 0.00 C ATOM 0 H ALA A 56 -10.598 -17.107 -2.600 1.00 0.00 H new ATOM 0 HA ALA A 56 -8.915 -15.250 -1.233 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.665 -17.122 0.366 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -10.369 -16.852 -0.073 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.469 -18.208 -0.793 1.00 0.00 H new ATOM 864 N ASN A 57 -7.456 -17.868 -2.640 1.00 0.00 N ATOM 865 CA ASN A 57 -6.178 -18.362 -3.141 1.00 0.00 C ATOM 866 C ASN A 57 -5.752 -17.599 -4.391 1.00 0.00 C ATOM 867 O ASN A 57 -5.990 -18.043 -5.515 1.00 0.00 O ATOM 868 CB ASN A 57 -6.272 -19.858 -3.449 1.00 0.00 C ATOM 869 CG ASN A 57 -4.944 -20.568 -3.274 1.00 0.00 C ATOM 870 OD1 ASN A 57 -4.331 -21.012 -4.245 1.00 0.00 O ATOM 871 ND2 ASN A 57 -4.493 -20.680 -2.030 1.00 0.00 N ATOM 0 H ASN A 57 -8.237 -18.512 -2.768 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.427 -18.204 -2.367 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -7.014 -20.315 -2.795 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -6.622 -19.994 -4.472 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.605 -21.149 -1.850 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.034 -20.297 -1.255 1.00 0.00 H new ATOM 878 N THR A 58 -5.119 -16.448 -4.188 1.00 0.00 N ATOM 879 CA THR A 58 -4.659 -15.622 -5.297 1.00 0.00 C ATOM 880 C THR A 58 -3.289 -15.021 -5.005 1.00 0.00 C ATOM 881 O THR A 58 -2.942 -14.773 -3.850 1.00 0.00 O ATOM 882 CB THR A 58 -5.652 -14.484 -5.600 1.00 0.00 C ATOM 883 OG1 THR A 58 -6.986 -15.001 -5.658 1.00 0.00 O ATOM 884 CG2 THR A 58 -5.309 -13.802 -6.916 1.00 0.00 C ATOM 0 H THR A 58 -4.913 -16.066 -3.265 1.00 0.00 H new ATOM 0 HA THR A 58 -4.588 -16.274 -6.168 1.00 0.00 H new ATOM 0 HB THR A 58 -5.582 -13.748 -4.799 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.491 -14.692 -4.877 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.024 -13.002 -7.108 1.00 0.00 H new ATOM 0 HG22 THR A 58 -4.304 -13.384 -6.858 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.353 -14.530 -7.726 1.00 0.00 H new ATOM 892 N LYS A 59 -2.513 -14.789 -6.058 1.00 0.00 N ATOM 893 CA LYS A 59 -1.180 -14.215 -5.916 1.00 0.00 C ATOM 894 C LYS A 59 -1.258 -12.776 -5.414 1.00 0.00 C ATOM 895 O LYS A 59 -2.341 -12.195 -5.333 1.00 0.00 O ATOM 896 CB LYS A 59 -0.437 -14.260 -7.253 1.00 0.00 C ATOM 897 CG LYS A 59 -0.129 -15.669 -7.730 1.00 0.00 C ATOM 898 CD LYS A 59 1.136 -16.211 -7.085 1.00 0.00 C ATOM 899 CE LYS A 59 1.440 -17.625 -7.557 1.00 0.00 C ATOM 900 NZ LYS A 59 2.039 -17.638 -8.921 1.00 0.00 N ATOM 0 H LYS A 59 -2.785 -14.990 -7.020 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.633 -14.808 -5.183 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.036 -13.752 -8.009 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.496 -13.705 -7.159 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.968 -16.325 -7.496 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.015 -15.671 -8.814 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.976 -15.558 -7.323 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.025 -16.204 -6.001 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.124 -18.103 -6.856 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.522 -18.213 -7.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.231 -18.619 -9.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.376 -17.205 -9.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.928 -17.099 -8.915 1.00 0.00 H new ATOM 914 N TYR A 60 -0.105 -12.207 -5.081 1.00 0.00 N ATOM 915 CA TYR A 60 -0.044 -10.837 -4.587 1.00 0.00 C ATOM 916 C TYR A 60 0.681 -9.932 -5.579 1.00 0.00 C ATOM 917 O TYR A 60 1.503 -10.392 -6.372 1.00 0.00 O ATOM 918 CB TYR A 60 0.662 -10.793 -3.230 1.00 0.00 C ATOM 919 CG TYR A 60 -0.276 -10.949 -2.055 1.00 0.00 C ATOM 920 CD1 TYR A 60 -0.797 -12.191 -1.715 1.00 0.00 C ATOM 921 CD2 TYR A 60 -0.641 -9.853 -1.282 1.00 0.00 C ATOM 922 CE1 TYR A 60 -1.654 -12.338 -0.643 1.00 0.00 C ATOM 923 CE2 TYR A 60 -1.497 -9.990 -0.207 1.00 0.00 C ATOM 924 CZ TYR A 60 -2.001 -11.234 0.109 1.00 0.00 C ATOM 925 OH TYR A 60 -2.854 -11.376 1.179 1.00 0.00 O ATOM 0 H TYR A 60 0.800 -12.673 -5.144 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.065 -10.474 -4.470 1.00 0.00 H new ATOM 0 HB2 TYR A 60 1.411 -11.584 -3.194 1.00 0.00 H new ATOM 0 HB3 TYR A 60 1.193 -9.846 -3.137 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -0.527 -13.058 -2.300 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -0.248 -8.877 -1.526 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -2.051 -13.311 -0.394 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -1.770 -9.128 0.383 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.996 -10.504 1.603 1.00 0.00 H new ATOM 935 N LYS A 61 0.370 -8.641 -5.528 1.00 0.00 N ATOM 936 CA LYS A 61 0.990 -7.669 -6.419 1.00 0.00 C ATOM 937 C LYS A 61 2.016 -6.823 -5.672 1.00 0.00 C ATOM 938 O LYS A 61 2.109 -6.883 -4.447 1.00 0.00 O ATOM 939 CB LYS A 61 -0.075 -6.765 -7.043 1.00 0.00 C ATOM 940 CG LYS A 61 -0.985 -7.484 -8.024 1.00 0.00 C ATOM 941 CD LYS A 61 -0.432 -7.430 -9.439 1.00 0.00 C ATOM 942 CE LYS A 61 -0.850 -8.650 -10.247 1.00 0.00 C ATOM 943 NZ LYS A 61 -0.084 -8.760 -11.519 1.00 0.00 N ATOM 0 H LYS A 61 -0.309 -8.244 -4.878 1.00 0.00 H new ATOM 0 HA LYS A 61 1.503 -8.215 -7.211 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.682 -6.331 -6.248 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.417 -5.939 -7.556 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.103 -8.523 -7.718 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.976 -7.031 -8.002 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.785 -6.526 -9.935 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.656 -7.371 -9.404 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.697 -9.550 -9.652 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.916 -8.592 -10.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.397 -9.603 -12.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.250 -7.912 -12.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.931 -8.841 -11.307 1.00 0.00 H new ATOM 957 N ASN A 62 2.782 -6.034 -6.418 1.00 0.00 N ATOM 958 CA ASN A 62 3.800 -5.174 -5.825 1.00 0.00 C ATOM 959 C ASN A 62 4.219 -4.076 -6.798 1.00 0.00 C ATOM 960 O ASN A 62 4.180 -4.261 -8.013 1.00 0.00 O ATOM 961 CB ASN A 62 5.021 -6.001 -5.416 1.00 0.00 C ATOM 962 CG ASN A 62 5.771 -6.555 -6.612 1.00 0.00 C ATOM 963 OD1 ASN A 62 5.130 -7.457 -7.346 1.00 0.00 O flip ATOM 964 ND2 ASN A 62 6.913 -6.176 -6.872 1.00 0.00 N flip ATOM 0 H ASN A 62 2.717 -5.972 -7.434 1.00 0.00 H new ATOM 0 HA ASN A 62 3.373 -4.706 -4.938 1.00 0.00 H new ATOM 0 HB2 ASN A 62 5.694 -5.381 -4.824 1.00 0.00 H new ATOM 0 HB3 ASN A 62 4.701 -6.825 -4.778 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.367 -5.481 -6.280 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.405 -6.557 -7.680 1.00 0.00 H new ATOM 971 N ALA A 63 4.621 -2.932 -6.253 1.00 0.00 N ATOM 972 CA ALA A 63 5.050 -1.805 -7.072 1.00 0.00 C ATOM 973 C ALA A 63 6.360 -1.220 -6.557 1.00 0.00 C ATOM 974 O ALA A 63 6.883 -1.652 -5.530 1.00 0.00 O ATOM 975 CB ALA A 63 3.969 -0.735 -7.105 1.00 0.00 C ATOM 0 H ALA A 63 4.658 -2.762 -5.248 1.00 0.00 H new ATOM 0 HA ALA A 63 5.218 -2.168 -8.086 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.303 0.101 -7.720 1.00 0.00 H new ATOM 0 HB2 ALA A 63 3.055 -1.154 -7.527 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.773 -0.384 -6.092 1.00 0.00 H new ATOM 981 N ASN A 64 6.886 -0.234 -7.277 1.00 0.00 N ATOM 982 CA ASN A 64 8.137 0.410 -6.893 1.00 0.00 C ATOM 983 C ASN A 64 8.041 1.924 -7.052 1.00 0.00 C ATOM 984 O ASN A 64 8.001 2.439 -8.169 1.00 0.00 O ATOM 985 CB ASN A 64 9.293 -0.131 -7.737 1.00 0.00 C ATOM 986 CG ASN A 64 9.209 -1.631 -7.940 1.00 0.00 C ATOM 987 OD1 ASN A 64 8.639 -2.349 -7.118 1.00 0.00 O ATOM 988 ND2 ASN A 64 9.778 -2.112 -9.038 1.00 0.00 N ATOM 0 H ASN A 64 6.465 0.136 -8.129 1.00 0.00 H new ATOM 0 HA ASN A 64 8.326 0.185 -5.843 1.00 0.00 H new ATOM 0 HB2 ASN A 64 9.293 0.365 -8.708 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.238 0.115 -7.253 1.00 0.00 H new ATOM 0 HD21 ASN A 64 9.754 -3.114 -9.228 1.00 0.00 H new ATOM 0 HD22 ASN A 64 10.240 -1.480 -9.692 1.00 0.00 H new ATOM 995 N ALA A 65 8.004 2.631 -5.927 1.00 0.00 N ATOM 996 CA ALA A 65 7.916 4.086 -5.942 1.00 0.00 C ATOM 997 C ALA A 65 8.437 4.681 -4.638 1.00 0.00 C ATOM 998 O ALA A 65 7.994 4.307 -3.552 1.00 0.00 O ATOM 999 CB ALA A 65 6.480 4.524 -6.187 1.00 0.00 C ATOM 0 H ALA A 65 8.034 2.220 -4.994 1.00 0.00 H new ATOM 0 HA ALA A 65 8.541 4.455 -6.755 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.428 5.613 -6.196 1.00 0.00 H new ATOM 0 HB2 ALA A 65 6.140 4.137 -7.148 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.841 4.137 -5.393 1.00 0.00 H new ATOM 1005 N THR A 66 9.382 5.609 -4.753 1.00 0.00 N ATOM 1006 CA THR A 66 9.965 6.254 -3.584 1.00 0.00 C ATOM 1007 C THR A 66 9.190 7.511 -3.205 1.00 0.00 C ATOM 1008 O THR A 66 9.413 8.584 -3.766 1.00 0.00 O ATOM 1009 CB THR A 66 11.440 6.628 -3.825 1.00 0.00 C ATOM 1010 OG1 THR A 66 11.534 7.600 -4.873 1.00 0.00 O ATOM 1011 CG2 THR A 66 12.257 5.398 -4.192 1.00 0.00 C ATOM 0 H THR A 66 9.760 5.930 -5.644 1.00 0.00 H new ATOM 0 HA THR A 66 9.909 5.535 -2.767 1.00 0.00 H new ATOM 0 HB THR A 66 11.841 7.049 -2.903 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.902 8.329 -4.701 1.00 0.00 H new ATOM 0 HG21 THR A 66 13.295 5.687 -4.357 1.00 0.00 H new ATOM 0 HG22 THR A 66 12.207 4.673 -3.380 1.00 0.00 H new ATOM 0 HG23 THR A 66 11.855 4.952 -5.102 1.00 0.00 H new ATOM 1019 N THR A 67 8.277 7.372 -2.248 1.00 0.00 N ATOM 1020 CA THR A 67 7.468 8.496 -1.795 1.00 0.00 C ATOM 1021 C THR A 67 6.582 8.097 -0.620 1.00 0.00 C ATOM 1022 O THR A 67 6.535 6.929 -0.233 1.00 0.00 O ATOM 1023 CB THR A 67 6.581 9.044 -2.929 1.00 0.00 C ATOM 1024 OG1 THR A 67 5.567 9.898 -2.389 1.00 0.00 O ATOM 1025 CG2 THR A 67 5.934 7.908 -3.707 1.00 0.00 C ATOM 0 H THR A 67 8.080 6.492 -1.772 1.00 0.00 H new ATOM 0 HA THR A 67 8.160 9.275 -1.477 1.00 0.00 H new ATOM 0 HB THR A 67 7.212 9.616 -3.610 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.009 10.243 -3.117 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.313 8.319 -4.502 1.00 0.00 H new ATOM 0 HG22 THR A 67 6.709 7.277 -4.142 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.316 7.312 -3.035 1.00 0.00 H new ATOM 1033 N LEU A 68 5.880 9.074 -0.056 1.00 0.00 N ATOM 1034 CA LEU A 68 4.993 8.824 1.075 1.00 0.00 C ATOM 1035 C LEU A 68 3.550 8.656 0.609 1.00 0.00 C ATOM 1036 O LEU A 68 2.611 8.867 1.376 1.00 0.00 O ATOM 1037 CB LEU A 68 5.085 9.971 2.083 1.00 0.00 C ATOM 1038 CG LEU A 68 6.298 9.951 3.014 1.00 0.00 C ATOM 1039 CD1 LEU A 68 6.526 11.326 3.623 1.00 0.00 C ATOM 1040 CD2 LEU A 68 6.116 8.906 4.104 1.00 0.00 C ATOM 0 H LEU A 68 5.908 10.046 -0.363 1.00 0.00 H new ATOM 0 HA LEU A 68 5.310 7.899 1.556 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.090 10.912 1.533 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.183 9.964 2.694 1.00 0.00 H new ATOM 0 HG LEU A 68 7.178 9.686 2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.393 11.293 4.283 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.702 12.051 2.829 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.646 11.621 4.195 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.989 8.906 4.757 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.226 9.140 4.688 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.003 7.922 3.649 1.00 0.00 H new ATOM 1052 N SER A 69 3.382 8.272 -0.652 1.00 0.00 N ATOM 1053 CA SER A 69 2.054 8.076 -1.221 1.00 0.00 C ATOM 1054 C SER A 69 2.114 7.160 -2.440 1.00 0.00 C ATOM 1055 O SER A 69 3.195 6.814 -2.917 1.00 0.00 O ATOM 1056 CB SER A 69 1.439 9.422 -1.610 1.00 0.00 C ATOM 1057 OG SER A 69 0.232 9.242 -2.330 1.00 0.00 O ATOM 0 H SER A 69 4.149 8.090 -1.299 1.00 0.00 H new ATOM 0 HA SER A 69 1.428 7.603 -0.464 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.247 10.010 -0.713 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.147 9.987 -2.216 1.00 0.00 H new ATOM 0 HG SER A 69 -0.142 10.117 -2.565 1.00 0.00 H new ATOM 1063 N TYR A 70 0.946 6.771 -2.937 1.00 0.00 N ATOM 1064 CA TYR A 70 0.864 5.893 -4.099 1.00 0.00 C ATOM 1065 C TYR A 70 -0.585 5.703 -4.537 1.00 0.00 C ATOM 1066 O TYR A 70 -1.450 5.360 -3.731 1.00 0.00 O ATOM 1067 CB TYR A 70 1.495 4.535 -3.784 1.00 0.00 C ATOM 1068 CG TYR A 70 1.767 3.695 -5.011 1.00 0.00 C ATOM 1069 CD1 TYR A 70 0.728 3.270 -5.829 1.00 0.00 C ATOM 1070 CD2 TYR A 70 3.062 3.324 -5.351 1.00 0.00 C ATOM 1071 CE1 TYR A 70 0.971 2.501 -6.951 1.00 0.00 C ATOM 1072 CE2 TYR A 70 3.314 2.557 -6.471 1.00 0.00 C ATOM 1073 CZ TYR A 70 2.266 2.147 -7.268 1.00 0.00 C ATOM 1074 OH TYR A 70 2.513 1.382 -8.384 1.00 0.00 O ATOM 0 H TYR A 70 0.043 7.049 -2.554 1.00 0.00 H new ATOM 0 HA TYR A 70 1.413 6.361 -4.916 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.431 4.694 -3.248 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.834 3.983 -3.115 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -0.287 3.545 -5.584 1.00 0.00 H new ATOM 0 HD2 TYR A 70 3.886 3.641 -4.729 1.00 0.00 H new ATOM 0 HE1 TYR A 70 0.152 2.179 -7.576 1.00 0.00 H new ATOM 0 HE2 TYR A 70 4.327 2.279 -6.722 1.00 0.00 H new ATOM 0 HH TYR A 70 3.218 1.802 -8.919 1.00 0.00 H new ATOM 1084 N LEU A 71 -0.841 5.928 -5.821 1.00 0.00 N ATOM 1085 CA LEU A 71 -2.185 5.782 -6.370 1.00 0.00 C ATOM 1086 C LEU A 71 -2.310 4.487 -7.166 1.00 0.00 C ATOM 1087 O LEU A 71 -1.553 4.249 -8.108 1.00 0.00 O ATOM 1088 CB LEU A 71 -2.526 6.977 -7.261 1.00 0.00 C ATOM 1089 CG LEU A 71 -4.013 7.301 -7.409 1.00 0.00 C ATOM 1090 CD1 LEU A 71 -4.208 8.770 -7.750 1.00 0.00 C ATOM 1091 CD2 LEU A 71 -4.649 6.417 -8.472 1.00 0.00 C ATOM 0 H LEU A 71 -0.136 6.212 -6.501 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.889 5.745 -5.538 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.021 7.857 -6.863 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.114 6.794 -8.253 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.504 7.101 -6.457 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.272 8.982 -7.851 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.789 9.387 -6.955 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -3.702 8.996 -8.689 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.707 6.662 -8.563 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.154 6.585 -9.428 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.542 5.370 -8.187 1.00 0.00 H new ATOM 1103 N VAL A 72 -3.272 3.653 -6.783 1.00 0.00 N ATOM 1104 CA VAL A 72 -3.499 2.383 -7.463 1.00 0.00 C ATOM 1105 C VAL A 72 -4.606 2.507 -8.503 1.00 0.00 C ATOM 1106 O VAL A 72 -5.660 3.087 -8.239 1.00 0.00 O ATOM 1107 CB VAL A 72 -3.869 1.270 -6.465 1.00 0.00 C ATOM 1108 CG1 VAL A 72 -3.820 -0.092 -7.141 1.00 0.00 C ATOM 1109 CG2 VAL A 72 -2.944 1.308 -5.258 1.00 0.00 C ATOM 0 H VAL A 72 -3.907 3.834 -6.005 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.566 2.119 -7.960 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.888 1.441 -6.119 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.084 -0.866 -6.420 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.527 -0.112 -7.971 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.814 -0.275 -7.517 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.220 0.515 -4.563 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.914 1.163 -5.584 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -3.034 2.274 -4.761 1.00 0.00 H new ATOM 1119 N THR A 73 -4.362 1.958 -9.689 1.00 0.00 N ATOM 1120 CA THR A 73 -5.338 2.007 -10.770 1.00 0.00 C ATOM 1121 C THR A 73 -5.440 0.662 -11.480 1.00 0.00 C ATOM 1122 O THR A 73 -4.495 -0.126 -11.477 1.00 0.00 O ATOM 1123 CB THR A 73 -4.979 3.093 -11.802 1.00 0.00 C ATOM 1124 OG1 THR A 73 -3.673 2.850 -12.335 1.00 0.00 O ATOM 1125 CG2 THR A 73 -5.025 4.476 -11.170 1.00 0.00 C ATOM 0 H THR A 73 -3.496 1.474 -9.925 1.00 0.00 H new ATOM 0 HA THR A 73 -6.299 2.250 -10.317 1.00 0.00 H new ATOM 0 HB THR A 73 -5.712 3.054 -12.607 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.453 3.544 -12.991 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.768 5.226 -11.918 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.029 4.670 -10.791 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.311 4.524 -10.347 1.00 0.00 H new ATOM 1133 N GLY A 74 -6.594 0.405 -12.089 1.00 0.00 N ATOM 1134 CA GLY A 74 -6.798 -0.846 -12.795 1.00 0.00 C ATOM 1135 C GLY A 74 -7.379 -1.926 -11.905 1.00 0.00 C ATOM 1136 O GLY A 74 -7.035 -3.102 -12.037 1.00 0.00 O ATOM 0 H GLY A 74 -7.391 1.041 -12.106 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -7.466 -0.678 -13.640 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -5.847 -1.188 -13.203 1.00 0.00 H new ATOM 1140 N LEU A 75 -8.262 -1.529 -10.995 1.00 0.00 N ATOM 1141 CA LEU A 75 -8.892 -2.472 -10.077 1.00 0.00 C ATOM 1142 C LEU A 75 -10.332 -2.755 -10.491 1.00 0.00 C ATOM 1143 O LEU A 75 -10.929 -2.000 -11.259 1.00 0.00 O ATOM 1144 CB LEU A 75 -8.858 -1.924 -8.649 1.00 0.00 C ATOM 1145 CG LEU A 75 -7.539 -1.291 -8.205 1.00 0.00 C ATOM 1146 CD1 LEU A 75 -7.733 -0.502 -6.919 1.00 0.00 C ATOM 1147 CD2 LEU A 75 -6.470 -2.358 -8.022 1.00 0.00 C ATOM 0 H LEU A 75 -8.558 -0.561 -10.873 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.332 -3.407 -10.114 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -9.648 -1.179 -8.548 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.097 -2.737 -7.963 1.00 0.00 H new ATOM 0 HG LEU A 75 -7.208 -0.603 -8.983 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.784 -0.058 -6.618 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -8.467 0.287 -7.084 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -8.088 -1.169 -6.133 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.538 -1.889 -7.706 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.793 -3.071 -7.263 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.312 -2.880 -8.966 1.00 0.00 H new ATOM 1159 N LYS A 76 -10.887 -3.847 -9.976 1.00 0.00 N ATOM 1160 CA LYS A 76 -12.259 -4.229 -10.288 1.00 0.00 C ATOM 1161 C LYS A 76 -13.251 -3.432 -9.448 1.00 0.00 C ATOM 1162 O LYS A 76 -13.007 -3.128 -8.280 1.00 0.00 O ATOM 1163 CB LYS A 76 -12.459 -5.728 -10.049 1.00 0.00 C ATOM 1164 CG LYS A 76 -12.013 -6.595 -11.213 1.00 0.00 C ATOM 1165 CD LYS A 76 -12.465 -8.035 -11.041 1.00 0.00 C ATOM 1166 CE LYS A 76 -11.465 -8.840 -10.225 1.00 0.00 C ATOM 1167 NZ LYS A 76 -11.983 -10.196 -9.893 1.00 0.00 N ATOM 0 H LYS A 76 -10.407 -4.484 -9.340 1.00 0.00 H new ATOM 0 HA LYS A 76 -12.441 -4.007 -11.339 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.907 -6.022 -9.156 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -13.514 -5.918 -9.849 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -12.418 -6.194 -12.142 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.927 -6.561 -11.298 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -13.438 -8.056 -10.550 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.593 -8.497 -12.020 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.533 -8.934 -10.783 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.233 -8.305 -9.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.272 -10.713 -9.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.859 -10.107 -9.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.181 -10.717 -10.771 1.00 0.00 H new ATOM 1181 N PRO A 77 -14.396 -3.086 -10.053 1.00 0.00 N ATOM 1182 CA PRO A 77 -15.449 -2.321 -9.377 1.00 0.00 C ATOM 1183 C PRO A 77 -16.152 -3.133 -8.295 1.00 0.00 C ATOM 1184 O PRO A 77 -16.321 -4.345 -8.426 1.00 0.00 O ATOM 1185 CB PRO A 77 -16.423 -1.982 -10.509 1.00 0.00 C ATOM 1186 CG PRO A 77 -16.210 -3.050 -11.525 1.00 0.00 C ATOM 1187 CD PRO A 77 -14.753 -3.415 -11.443 1.00 0.00 C ATOM 0 HA PRO A 77 -15.051 -1.447 -8.862 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -17.454 -1.973 -10.155 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -16.220 -0.995 -10.924 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -16.841 -3.915 -11.320 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -16.468 -2.696 -12.523 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -14.590 -4.471 -11.660 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -14.156 -2.847 -12.156 1.00 0.00 H new ATOM 1195 N ASN A 78 -16.560 -2.458 -7.226 1.00 0.00 N ATOM 1196 CA ASN A 78 -17.244 -3.117 -6.120 1.00 0.00 C ATOM 1197 C ASN A 78 -16.569 -4.441 -5.773 1.00 0.00 C ATOM 1198 O ASN A 78 -17.220 -5.483 -5.699 1.00 0.00 O ATOM 1199 CB ASN A 78 -18.713 -3.360 -6.474 1.00 0.00 C ATOM 1200 CG ASN A 78 -19.586 -3.518 -5.244 1.00 0.00 C ATOM 1201 OD1 ASN A 78 -19.692 -4.607 -4.680 1.00 0.00 O ATOM 1202 ND2 ASN A 78 -20.217 -2.428 -4.823 1.00 0.00 N ATOM 0 H ASN A 78 -16.429 -1.454 -7.102 1.00 0.00 H new ATOM 0 HA ASN A 78 -17.189 -2.462 -5.250 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -19.082 -2.528 -7.073 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -18.792 -4.256 -7.090 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -20.819 -2.473 -4.001 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -20.100 -1.546 -5.322 1.00 0.00 H new ATOM 1209 N THR A 79 -15.257 -4.391 -5.562 1.00 0.00 N ATOM 1210 CA THR A 79 -14.492 -5.585 -5.223 1.00 0.00 C ATOM 1211 C THR A 79 -13.518 -5.309 -4.084 1.00 0.00 C ATOM 1212 O THR A 79 -12.773 -4.328 -4.114 1.00 0.00 O ATOM 1213 CB THR A 79 -13.706 -6.112 -6.439 1.00 0.00 C ATOM 1214 OG1 THR A 79 -14.476 -5.935 -7.634 1.00 0.00 O ATOM 1215 CG2 THR A 79 -13.362 -7.583 -6.265 1.00 0.00 C ATOM 0 H THR A 79 -14.702 -3.537 -5.620 1.00 0.00 H new ATOM 0 HA THR A 79 -15.210 -6.342 -4.908 1.00 0.00 H new ATOM 0 HB THR A 79 -12.778 -5.545 -6.517 1.00 0.00 H new ATOM 0 HG1 THR A 79 -14.825 -5.020 -7.666 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.807 -7.932 -7.136 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.752 -7.711 -5.371 1.00 0.00 H new ATOM 0 HG23 THR A 79 -14.280 -8.162 -6.163 1.00 0.00 H new ATOM 1223 N LEU A 80 -13.527 -6.179 -3.080 1.00 0.00 N ATOM 1224 CA LEU A 80 -12.643 -6.030 -1.930 1.00 0.00 C ATOM 1225 C LEU A 80 -11.180 -6.116 -2.353 1.00 0.00 C ATOM 1226 O LEU A 80 -10.771 -7.066 -3.021 1.00 0.00 O ATOM 1227 CB LEU A 80 -12.948 -7.104 -0.884 1.00 0.00 C ATOM 1228 CG LEU A 80 -12.645 -6.732 0.568 1.00 0.00 C ATOM 1229 CD1 LEU A 80 -11.144 -6.696 0.808 1.00 0.00 C ATOM 1230 CD2 LEU A 80 -13.275 -5.392 0.918 1.00 0.00 C ATOM 0 H LEU A 80 -14.137 -6.995 -3.039 1.00 0.00 H new ATOM 0 HA LEU A 80 -12.818 -5.047 -1.493 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -14.003 -7.366 -0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -12.379 -7.999 -1.135 1.00 0.00 H new ATOM 0 HG LEU A 80 -13.077 -7.495 1.216 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.948 -6.430 1.847 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.718 -7.677 0.599 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.688 -5.955 0.151 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -13.049 -5.143 1.955 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -12.873 -4.619 0.264 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -14.355 -5.452 0.787 1.00 0.00 H new ATOM 1242 N TYR A 81 -10.395 -5.120 -1.957 1.00 0.00 N ATOM 1243 CA TYR A 81 -8.977 -5.084 -2.295 1.00 0.00 C ATOM 1244 C TYR A 81 -8.130 -4.791 -1.060 1.00 0.00 C ATOM 1245 O TYR A 81 -8.583 -4.128 -0.128 1.00 0.00 O ATOM 1246 CB TYR A 81 -8.714 -4.028 -3.370 1.00 0.00 C ATOM 1247 CG TYR A 81 -8.821 -4.561 -4.781 1.00 0.00 C ATOM 1248 CD1 TYR A 81 -7.788 -5.299 -5.345 1.00 0.00 C ATOM 1249 CD2 TYR A 81 -9.953 -4.325 -5.550 1.00 0.00 C ATOM 1250 CE1 TYR A 81 -7.880 -5.787 -6.634 1.00 0.00 C ATOM 1251 CE2 TYR A 81 -10.055 -4.810 -6.839 1.00 0.00 C ATOM 1252 CZ TYR A 81 -9.016 -5.541 -7.377 1.00 0.00 C ATOM 1253 OH TYR A 81 -9.112 -6.025 -8.661 1.00 0.00 O ATOM 0 H TYR A 81 -10.717 -4.327 -1.402 1.00 0.00 H new ATOM 0 HA TYR A 81 -8.697 -6.064 -2.682 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -9.423 -3.210 -3.245 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -7.718 -3.612 -3.222 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -6.898 -5.495 -4.766 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -10.768 -3.752 -5.133 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -7.067 -6.358 -7.058 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -10.943 -4.618 -7.423 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.778 -6.744 -8.691 1.00 0.00 H new ATOM 1263 N GLU A 82 -6.898 -5.290 -1.064 1.00 0.00 N ATOM 1264 CA GLU A 82 -5.987 -5.082 0.056 1.00 0.00 C ATOM 1265 C GLU A 82 -4.931 -4.035 -0.289 1.00 0.00 C ATOM 1266 O GLU A 82 -4.544 -3.886 -1.448 1.00 0.00 O ATOM 1267 CB GLU A 82 -5.309 -6.398 0.442 1.00 0.00 C ATOM 1268 CG GLU A 82 -6.170 -7.292 1.319 1.00 0.00 C ATOM 1269 CD GLU A 82 -7.432 -7.756 0.617 1.00 0.00 C ATOM 1270 OE1 GLU A 82 -7.331 -8.640 -0.260 1.00 0.00 O ATOM 1271 OE2 GLU A 82 -8.519 -7.236 0.944 1.00 0.00 O ATOM 0 H GLU A 82 -6.508 -5.840 -1.829 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.570 -4.720 0.903 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.044 -6.940 -0.466 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.378 -6.178 0.965 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.589 -8.161 1.626 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.441 -6.752 2.227 1.00 0.00 H new ATOM 1278 N PHE A 83 -4.469 -3.312 0.726 1.00 0.00 N ATOM 1279 CA PHE A 83 -3.460 -2.278 0.531 1.00 0.00 C ATOM 1280 C PHE A 83 -2.467 -2.263 1.690 1.00 0.00 C ATOM 1281 O PHE A 83 -2.850 -2.103 2.848 1.00 0.00 O ATOM 1282 CB PHE A 83 -4.124 -0.907 0.396 1.00 0.00 C ATOM 1283 CG PHE A 83 -4.978 -0.773 -0.832 1.00 0.00 C ATOM 1284 CD1 PHE A 83 -4.442 -0.988 -2.092 1.00 0.00 C ATOM 1285 CD2 PHE A 83 -6.316 -0.432 -0.728 1.00 0.00 C ATOM 1286 CE1 PHE A 83 -5.225 -0.865 -3.224 1.00 0.00 C ATOM 1287 CE2 PHE A 83 -7.105 -0.307 -1.856 1.00 0.00 C ATOM 1288 CZ PHE A 83 -6.559 -0.525 -3.105 1.00 0.00 C ATOM 0 H PHE A 83 -4.778 -3.423 1.692 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.917 -2.503 -0.387 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.737 -0.721 1.278 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -3.351 -0.138 0.377 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -3.400 -1.255 -2.190 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -6.749 -0.262 0.247 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -4.795 -1.034 -4.200 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -8.147 -0.039 -1.760 1.00 0.00 H new ATOM 0 HZ PHE A 83 -7.174 -0.430 -3.988 1.00 0.00 H new ATOM 1298 N SER A 84 -1.188 -2.431 1.367 1.00 0.00 N ATOM 1299 CA SER A 84 -0.139 -2.441 2.381 1.00 0.00 C ATOM 1300 C SER A 84 1.157 -1.857 1.827 1.00 0.00 C ATOM 1301 O SER A 84 1.479 -2.034 0.652 1.00 0.00 O ATOM 1302 CB SER A 84 0.103 -3.867 2.880 1.00 0.00 C ATOM 1303 OG SER A 84 -1.121 -4.536 3.126 1.00 0.00 O ATOM 0 H SER A 84 -0.853 -2.562 0.412 1.00 0.00 H new ATOM 0 HA SER A 84 -0.468 -1.822 3.216 1.00 0.00 H new ATOM 0 HB2 SER A 84 0.682 -4.421 2.141 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.696 -3.840 3.794 1.00 0.00 H new ATOM 0 HG SER A 84 -0.939 -5.445 3.443 1.00 0.00 H new ATOM 1309 N VAL A 85 1.897 -1.160 2.683 1.00 0.00 N ATOM 1310 CA VAL A 85 3.159 -0.549 2.281 1.00 0.00 C ATOM 1311 C VAL A 85 4.311 -1.049 3.146 1.00 0.00 C ATOM 1312 O VAL A 85 4.163 -1.221 4.355 1.00 0.00 O ATOM 1313 CB VAL A 85 3.093 0.987 2.370 1.00 0.00 C ATOM 1314 CG1 VAL A 85 4.268 1.616 1.638 1.00 0.00 C ATOM 1315 CG2 VAL A 85 1.772 1.496 1.813 1.00 0.00 C ATOM 0 H VAL A 85 1.645 -1.004 3.659 1.00 0.00 H new ATOM 0 HA VAL A 85 3.335 -0.837 1.245 1.00 0.00 H new ATOM 0 HB VAL A 85 3.154 1.276 3.419 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.204 2.702 1.712 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.201 1.276 2.088 1.00 0.00 H new ATOM 0 HG13 VAL A 85 4.243 1.322 0.589 1.00 0.00 H new ATOM 0 HG21 VAL A 85 1.742 2.583 1.884 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.678 1.197 0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.948 1.072 2.387 1.00 0.00 H new ATOM 1325 N MET A 86 5.459 -1.280 2.517 1.00 0.00 N ATOM 1326 CA MET A 86 6.637 -1.758 3.230 1.00 0.00 C ATOM 1327 C MET A 86 7.894 -1.041 2.746 1.00 0.00 C ATOM 1328 O MET A 86 7.974 -0.618 1.593 1.00 0.00 O ATOM 1329 CB MET A 86 6.795 -3.268 3.043 1.00 0.00 C ATOM 1330 CG MET A 86 7.101 -3.675 1.611 1.00 0.00 C ATOM 1331 SD MET A 86 7.520 -5.422 1.460 1.00 0.00 S ATOM 1332 CE MET A 86 9.215 -5.415 2.036 1.00 0.00 C ATOM 0 H MET A 86 5.598 -1.144 1.516 1.00 0.00 H new ATOM 0 HA MET A 86 6.501 -1.542 4.290 1.00 0.00 H new ATOM 0 HB2 MET A 86 7.595 -3.624 3.692 1.00 0.00 H new ATOM 0 HB3 MET A 86 5.879 -3.763 3.365 1.00 0.00 H new ATOM 0 HG2 MET A 86 6.237 -3.457 0.983 1.00 0.00 H new ATOM 0 HG3 MET A 86 7.928 -3.073 1.235 1.00 0.00 H new ATOM 0 HE1 MET A 86 9.833 -6.002 1.357 1.00 0.00 H new ATOM 0 HE2 MET A 86 9.584 -4.390 2.068 1.00 0.00 H new ATOM 0 HE3 MET A 86 9.262 -5.848 3.035 1.00 0.00 H new ATOM 1342 N VAL A 87 8.873 -0.907 3.635 1.00 0.00 N ATOM 1343 CA VAL A 87 10.126 -0.242 3.298 1.00 0.00 C ATOM 1344 C VAL A 87 11.273 -1.242 3.209 1.00 0.00 C ATOM 1345 O VAL A 87 11.404 -2.131 4.052 1.00 0.00 O ATOM 1346 CB VAL A 87 10.483 0.841 4.334 1.00 0.00 C ATOM 1347 CG1 VAL A 87 10.481 0.258 5.739 1.00 0.00 C ATOM 1348 CG2 VAL A 87 11.831 1.465 4.009 1.00 0.00 C ATOM 0 H VAL A 87 8.822 -1.250 4.594 1.00 0.00 H new ATOM 0 HA VAL A 87 9.982 0.229 2.325 1.00 0.00 H new ATOM 0 HB VAL A 87 9.726 1.624 4.291 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.735 1.038 6.457 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.491 -0.137 5.968 1.00 0.00 H new ATOM 0 HG13 VAL A 87 11.215 -0.545 5.801 1.00 0.00 H new ATOM 0 HG21 VAL A 87 12.067 2.228 4.751 1.00 0.00 H new ATOM 0 HG22 VAL A 87 12.602 0.694 4.023 1.00 0.00 H new ATOM 0 HG23 VAL A 87 11.792 1.921 3.020 1.00 0.00 H new ATOM 1358 N THR A 88 12.104 -1.092 2.182 1.00 0.00 N ATOM 1359 CA THR A 88 13.240 -1.982 1.982 1.00 0.00 C ATOM 1360 C THR A 88 14.554 -1.209 2.001 1.00 0.00 C ATOM 1361 O THR A 88 14.608 -0.047 1.599 1.00 0.00 O ATOM 1362 CB THR A 88 13.127 -2.748 0.651 1.00 0.00 C ATOM 1363 OG1 THR A 88 11.947 -3.559 0.651 1.00 0.00 O ATOM 1364 CG2 THR A 88 14.350 -3.623 0.423 1.00 0.00 C ATOM 0 H THR A 88 12.011 -0.362 1.476 1.00 0.00 H new ATOM 0 HA THR A 88 13.230 -2.697 2.805 1.00 0.00 H new ATOM 0 HB THR A 88 13.067 -2.019 -0.157 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.882 -4.041 -0.200 1.00 0.00 H new ATOM 0 HG21 THR A 88 14.246 -4.154 -0.523 1.00 0.00 H new ATOM 0 HG22 THR A 88 15.243 -2.999 0.393 1.00 0.00 H new ATOM 0 HG23 THR A 88 14.438 -4.344 1.236 1.00 0.00 H new ATOM 1372 N LYS A 89 15.613 -1.862 2.468 1.00 0.00 N ATOM 1373 CA LYS A 89 16.928 -1.237 2.538 1.00 0.00 C ATOM 1374 C LYS A 89 18.031 -2.264 2.302 1.00 0.00 C ATOM 1375 O LYS A 89 17.761 -3.454 2.142 1.00 0.00 O ATOM 1376 CB LYS A 89 17.125 -0.564 3.898 1.00 0.00 C ATOM 1377 CG LYS A 89 17.895 0.743 3.824 1.00 0.00 C ATOM 1378 CD LYS A 89 18.724 0.974 5.076 1.00 0.00 C ATOM 1379 CE LYS A 89 18.959 2.456 5.324 1.00 0.00 C ATOM 1380 NZ LYS A 89 20.201 2.939 4.659 1.00 0.00 N ATOM 0 H LYS A 89 15.586 -2.825 2.804 1.00 0.00 H new ATOM 0 HA LYS A 89 16.985 -0.481 1.755 1.00 0.00 H new ATOM 0 HB2 LYS A 89 16.149 -0.376 4.346 1.00 0.00 H new ATOM 0 HB3 LYS A 89 17.653 -1.250 4.560 1.00 0.00 H new ATOM 0 HG2 LYS A 89 18.548 0.733 2.951 1.00 0.00 H new ATOM 0 HG3 LYS A 89 17.198 1.570 3.691 1.00 0.00 H new ATOM 0 HD2 LYS A 89 18.216 0.536 5.936 1.00 0.00 H new ATOM 0 HD3 LYS A 89 19.682 0.464 4.978 1.00 0.00 H new ATOM 0 HE2 LYS A 89 18.105 3.026 4.957 1.00 0.00 H new ATOM 0 HE3 LYS A 89 19.027 2.639 6.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 20.110 3.953 4.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 21.014 2.788 5.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 20.348 2.413 3.774 1.00 0.00 H new ATOM 1394 N GLY A 90 19.276 -1.796 2.284 1.00 0.00 N ATOM 1395 CA GLY A 90 20.401 -2.687 2.069 1.00 0.00 C ATOM 1396 C GLY A 90 20.237 -4.012 2.788 1.00 0.00 C ATOM 1397 O GLY A 90 20.562 -4.129 3.969 1.00 0.00 O ATOM 0 H GLY A 90 19.525 -0.816 2.415 1.00 0.00 H new ATOM 0 HA2 GLY A 90 20.517 -2.869 1.001 1.00 0.00 H new ATOM 0 HA3 GLY A 90 21.315 -2.202 2.411 1.00 0.00 H new ATOM 1401 N ARG A 91 19.729 -5.012 2.074 1.00 0.00 N ATOM 1402 CA ARG A 91 19.519 -6.333 2.652 1.00 0.00 C ATOM 1403 C ARG A 91 18.681 -6.244 3.924 1.00 0.00 C ATOM 1404 O ARG A 91 18.994 -6.877 4.932 1.00 0.00 O ATOM 1405 CB ARG A 91 20.863 -6.998 2.960 1.00 0.00 C ATOM 1406 CG ARG A 91 20.805 -8.516 2.962 1.00 0.00 C ATOM 1407 CD ARG A 91 22.063 -9.121 3.565 1.00 0.00 C ATOM 1408 NE ARG A 91 22.244 -8.729 4.960 1.00 0.00 N ATOM 1409 CZ ARG A 91 23.225 -9.187 5.731 1.00 0.00 C ATOM 1410 NH1 ARG A 91 24.108 -10.047 5.244 1.00 0.00 N ATOM 1411 NH2 ARG A 91 23.323 -8.783 6.991 1.00 0.00 N ATOM 0 H ARG A 91 19.456 -4.932 1.095 1.00 0.00 H new ATOM 0 HA ARG A 91 18.979 -6.938 1.924 1.00 0.00 H new ATOM 0 HB2 ARG A 91 21.597 -6.672 2.223 1.00 0.00 H new ATOM 0 HB3 ARG A 91 21.214 -6.655 3.933 1.00 0.00 H new ATOM 0 HG2 ARG A 91 19.934 -8.847 3.527 1.00 0.00 H new ATOM 0 HG3 ARG A 91 20.679 -8.878 1.941 1.00 0.00 H new ATOM 0 HD2 ARG A 91 22.011 -10.208 3.498 1.00 0.00 H new ATOM 0 HD3 ARG A 91 22.931 -8.807 2.985 1.00 0.00 H new ATOM 0 HE ARG A 91 21.581 -8.068 5.365 1.00 0.00 H new ATOM 0 HH11 ARG A 91 24.036 -10.359 4.276 1.00 0.00 H new ATOM 0 HH12 ARG A 91 24.860 -10.397 5.838 1.00 0.00 H new ATOM 0 HH21 ARG A 91 22.645 -8.121 7.368 1.00 0.00 H new ATOM 0 HH22 ARG A 91 24.076 -9.135 7.582 1.00 0.00 H new ATOM 1425 N ARG A 92 17.614 -5.453 3.869 1.00 0.00 N ATOM 1426 CA ARG A 92 16.732 -5.279 5.016 1.00 0.00 C ATOM 1427 C ARG A 92 15.284 -5.108 4.567 1.00 0.00 C ATOM 1428 O ARG A 92 15.017 -4.612 3.473 1.00 0.00 O ATOM 1429 CB ARG A 92 17.168 -4.067 5.843 1.00 0.00 C ATOM 1430 CG ARG A 92 18.584 -4.176 6.383 1.00 0.00 C ATOM 1431 CD ARG A 92 18.611 -4.853 7.744 1.00 0.00 C ATOM 1432 NE ARG A 92 18.661 -6.309 7.630 1.00 0.00 N ATOM 1433 CZ ARG A 92 18.835 -7.121 8.667 1.00 0.00 C ATOM 1434 NH1 ARG A 92 18.975 -6.623 9.888 1.00 0.00 N ATOM 1435 NH2 ARG A 92 18.870 -8.435 8.483 1.00 0.00 N ATOM 0 H ARG A 92 17.340 -4.923 3.042 1.00 0.00 H new ATOM 0 HA ARG A 92 16.799 -6.175 5.634 1.00 0.00 H new ATOM 0 HB2 ARG A 92 17.091 -3.171 5.227 1.00 0.00 H new ATOM 0 HB3 ARG A 92 16.479 -3.940 6.678 1.00 0.00 H new ATOM 0 HG2 ARG A 92 19.199 -4.741 5.682 1.00 0.00 H new ATOM 0 HG3 ARG A 92 19.022 -3.181 6.462 1.00 0.00 H new ATOM 0 HD2 ARG A 92 19.477 -4.503 8.306 1.00 0.00 H new ATOM 0 HD3 ARG A 92 17.726 -4.564 8.310 1.00 0.00 H new ATOM 0 HE ARG A 92 18.557 -6.724 6.704 1.00 0.00 H new ATOM 0 HH11 ARG A 92 18.949 -5.614 10.033 1.00 0.00 H new ATOM 0 HH12 ARG A 92 19.108 -7.249 10.682 1.00 0.00 H new ATOM 0 HH21 ARG A 92 18.763 -8.822 7.545 1.00 0.00 H new ATOM 0 HH22 ARG A 92 19.004 -9.058 9.279 1.00 0.00 H new ATOM 1449 N SER A 93 14.352 -5.522 5.421 1.00 0.00 N ATOM 1450 CA SER A 93 12.931 -5.418 5.110 1.00 0.00 C ATOM 1451 C SER A 93 12.092 -5.469 6.383 1.00 0.00 C ATOM 1452 O SER A 93 12.445 -6.150 7.346 1.00 0.00 O ATOM 1453 CB SER A 93 12.511 -6.545 4.164 1.00 0.00 C ATOM 1454 OG SER A 93 12.790 -7.815 4.727 1.00 0.00 O ATOM 0 H SER A 93 14.556 -5.932 6.332 1.00 0.00 H new ATOM 0 HA SER A 93 12.760 -4.459 4.620 1.00 0.00 H new ATOM 0 HB2 SER A 93 11.445 -6.465 3.949 1.00 0.00 H new ATOM 0 HB3 SER A 93 13.036 -6.441 3.214 1.00 0.00 H new ATOM 0 HG SER A 93 12.511 -8.518 4.104 1.00 0.00 H new ATOM 1460 N SER A 94 10.979 -4.742 6.380 1.00 0.00 N ATOM 1461 CA SER A 94 10.090 -4.700 7.535 1.00 0.00 C ATOM 1462 C SER A 94 8.761 -5.382 7.224 1.00 0.00 C ATOM 1463 O SER A 94 8.440 -5.643 6.064 1.00 0.00 O ATOM 1464 CB SER A 94 9.845 -3.252 7.964 1.00 0.00 C ATOM 1465 OG SER A 94 8.948 -2.603 7.079 1.00 0.00 O ATOM 0 H SER A 94 10.672 -4.174 5.590 1.00 0.00 H new ATOM 0 HA SER A 94 10.571 -5.237 8.352 1.00 0.00 H new ATOM 0 HB2 SER A 94 9.440 -3.233 8.976 1.00 0.00 H new ATOM 0 HB3 SER A 94 10.791 -2.712 7.989 1.00 0.00 H new ATOM 0 HG SER A 94 8.094 -2.448 7.534 1.00 0.00 H new ATOM 1471 N THR A 95 7.991 -5.669 8.269 1.00 0.00 N ATOM 1472 CA THR A 95 6.698 -6.321 8.109 1.00 0.00 C ATOM 1473 C THR A 95 5.735 -5.446 7.316 1.00 0.00 C ATOM 1474 O THR A 95 6.068 -4.322 6.941 1.00 0.00 O ATOM 1475 CB THR A 95 6.065 -6.656 9.473 1.00 0.00 C ATOM 1476 OG1 THR A 95 4.980 -7.573 9.297 1.00 0.00 O ATOM 1477 CG2 THR A 95 5.564 -5.395 10.161 1.00 0.00 C ATOM 0 H THR A 95 8.241 -5.460 9.236 1.00 0.00 H new ATOM 0 HA THR A 95 6.877 -7.247 7.562 1.00 0.00 H new ATOM 0 HB THR A 95 6.829 -7.114 10.101 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.584 -7.782 10.169 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.121 -5.656 11.122 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.398 -4.711 10.320 1.00 0.00 H new ATOM 0 HG23 THR A 95 4.813 -4.913 9.535 1.00 0.00 H new ATOM 1485 N TRP A 96 4.539 -5.967 7.064 1.00 0.00 N ATOM 1486 CA TRP A 96 3.527 -5.231 6.315 1.00 0.00 C ATOM 1487 C TRP A 96 2.669 -4.384 7.248 1.00 0.00 C ATOM 1488 O TRP A 96 2.003 -4.908 8.141 1.00 0.00 O ATOM 1489 CB TRP A 96 2.643 -6.199 5.527 1.00 0.00 C ATOM 1490 CG TRP A 96 3.333 -6.802 4.341 1.00 0.00 C ATOM 1491 CD1 TRP A 96 3.730 -8.101 4.196 1.00 0.00 C ATOM 1492 CD2 TRP A 96 3.709 -6.129 3.134 1.00 0.00 C ATOM 1493 NE1 TRP A 96 4.330 -8.275 2.973 1.00 0.00 N ATOM 1494 CE2 TRP A 96 4.328 -7.081 2.302 1.00 0.00 C ATOM 1495 CE3 TRP A 96 3.580 -4.815 2.675 1.00 0.00 C ATOM 1496 CZ2 TRP A 96 4.818 -6.759 1.039 1.00 0.00 C ATOM 1497 CZ3 TRP A 96 4.067 -4.497 1.422 1.00 0.00 C ATOM 1498 CH2 TRP A 96 4.679 -5.465 0.615 1.00 0.00 C ATOM 0 H TRP A 96 4.247 -6.896 7.367 1.00 0.00 H new ATOM 0 HA TRP A 96 4.037 -4.566 5.618 1.00 0.00 H new ATOM 0 HB2 TRP A 96 2.311 -6.998 6.190 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.750 -5.672 5.190 1.00 0.00 H new ATOM 0 HD1 TRP A 96 3.592 -8.877 4.934 1.00 0.00 H new ATOM 0 HE1 TRP A 96 4.715 -9.152 2.621 1.00 0.00 H new ATOM 0 HE3 TRP A 96 3.108 -4.062 3.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 5.291 -7.504 0.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 3.974 -3.484 1.058 1.00 0.00 H new ATOM 0 HH2 TRP A 96 5.048 -5.185 -0.360 1.00 0.00 H new ATOM 1509 N SER A 97 2.689 -3.072 7.035 1.00 0.00 N ATOM 1510 CA SER A 97 1.914 -2.152 7.860 1.00 0.00 C ATOM 1511 C SER A 97 0.442 -2.549 7.881 1.00 0.00 C ATOM 1512 O SER A 97 0.016 -3.435 7.140 1.00 0.00 O ATOM 1513 CB SER A 97 2.061 -0.721 7.341 1.00 0.00 C ATOM 1514 OG SER A 97 1.368 -0.549 6.117 1.00 0.00 O ATOM 0 H SER A 97 3.233 -2.622 6.299 1.00 0.00 H new ATOM 0 HA SER A 97 2.300 -2.203 8.878 1.00 0.00 H new ATOM 0 HB2 SER A 97 1.676 -0.021 8.082 1.00 0.00 H new ATOM 0 HB3 SER A 97 3.117 -0.488 7.201 1.00 0.00 H new ATOM 0 HG SER A 97 1.962 -0.129 5.461 1.00 0.00 H new ATOM 1520 N MET A 98 -0.331 -1.887 8.736 1.00 0.00 N ATOM 1521 CA MET A 98 -1.757 -2.170 8.853 1.00 0.00 C ATOM 1522 C MET A 98 -2.422 -2.191 7.480 1.00 0.00 C ATOM 1523 O MET A 98 -2.584 -1.152 6.841 1.00 0.00 O ATOM 1524 CB MET A 98 -2.434 -1.126 9.744 1.00 0.00 C ATOM 1525 CG MET A 98 -2.276 0.298 9.239 1.00 0.00 C ATOM 1526 SD MET A 98 -2.776 1.528 10.460 1.00 0.00 S ATOM 1527 CE MET A 98 -1.215 1.846 11.278 1.00 0.00 C ATOM 0 H MET A 98 0.006 -1.152 9.357 1.00 0.00 H new ATOM 0 HA MET A 98 -1.871 -3.154 9.307 1.00 0.00 H new ATOM 0 HB2 MET A 98 -3.496 -1.360 9.821 1.00 0.00 H new ATOM 0 HB3 MET A 98 -2.019 -1.194 10.750 1.00 0.00 H new ATOM 0 HG2 MET A 98 -1.235 0.468 8.963 1.00 0.00 H new ATOM 0 HG3 MET A 98 -2.871 0.427 8.335 1.00 0.00 H new ATOM 0 HE1 MET A 98 -1.360 2.589 12.062 1.00 0.00 H new ATOM 0 HE2 MET A 98 -0.840 0.922 11.718 1.00 0.00 H new ATOM 0 HE3 MET A 98 -0.494 2.221 10.552 1.00 0.00 H new ATOM 1537 N THR A 99 -2.805 -3.383 7.032 1.00 0.00 N ATOM 1538 CA THR A 99 -3.450 -3.540 5.735 1.00 0.00 C ATOM 1539 C THR A 99 -4.745 -2.739 5.664 1.00 0.00 C ATOM 1540 O THR A 99 -5.697 -3.016 6.393 1.00 0.00 O ATOM 1541 CB THR A 99 -3.758 -5.019 5.435 1.00 0.00 C ATOM 1542 OG1 THR A 99 -2.615 -5.828 5.736 1.00 0.00 O ATOM 1543 CG2 THR A 99 -4.148 -5.207 3.977 1.00 0.00 C ATOM 0 H THR A 99 -2.679 -4.253 7.549 1.00 0.00 H new ATOM 0 HA THR A 99 -2.751 -3.163 4.988 1.00 0.00 H new ATOM 0 HB THR A 99 -4.596 -5.326 6.061 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.819 -6.767 5.544 1.00 0.00 H new ATOM 0 HG21 THR A 99 -4.361 -6.260 3.790 1.00 0.00 H new ATOM 0 HG22 THR A 99 -5.035 -4.613 3.758 1.00 0.00 H new ATOM 0 HG23 THR A 99 -3.328 -4.883 3.336 1.00 0.00 H new ATOM 1551 N ALA A 100 -4.775 -1.746 4.782 1.00 0.00 N ATOM 1552 CA ALA A 100 -5.955 -0.907 4.615 1.00 0.00 C ATOM 1553 C ALA A 100 -6.913 -1.505 3.591 1.00 0.00 C ATOM 1554 O ALA A 100 -6.552 -1.702 2.430 1.00 0.00 O ATOM 1555 CB ALA A 100 -5.548 0.500 4.202 1.00 0.00 C ATOM 0 H ALA A 100 -3.995 -1.503 4.172 1.00 0.00 H new ATOM 0 HA ALA A 100 -6.473 -0.857 5.572 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.439 1.116 4.081 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -4.909 0.934 4.971 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -5.004 0.459 3.258 1.00 0.00 H new ATOM 1561 N HIS A 101 -8.135 -1.791 4.027 1.00 0.00 N ATOM 1562 CA HIS A 101 -9.146 -2.367 3.147 1.00 0.00 C ATOM 1563 C HIS A 101 -10.015 -1.275 2.530 1.00 0.00 C ATOM 1564 O HIS A 101 -10.636 -0.487 3.242 1.00 0.00 O ATOM 1565 CB HIS A 101 -10.020 -3.356 3.919 1.00 0.00 C ATOM 1566 CG HIS A 101 -9.371 -4.688 4.134 1.00 0.00 C ATOM 1567 ND1 HIS A 101 -9.251 -5.275 5.376 1.00 0.00 N ATOM 1568 CD2 HIS A 101 -8.805 -5.550 3.256 1.00 0.00 C ATOM 1569 CE1 HIS A 101 -8.638 -6.439 5.253 1.00 0.00 C ATOM 1570 NE2 HIS A 101 -8.357 -6.630 3.977 1.00 0.00 N ATOM 0 H HIS A 101 -8.450 -1.633 4.984 1.00 0.00 H new ATOM 0 HA HIS A 101 -8.634 -2.897 2.343 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -10.274 -2.925 4.887 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -10.956 -3.500 3.379 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -9.584 -4.873 6.253 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -8.721 -5.414 2.188 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -8.406 -7.119 6.059 1.00 0.00 H new ATOM 1579 N GLY A 102 -10.053 -1.236 1.202 1.00 0.00 N ATOM 1580 CA GLY A 102 -10.848 -0.237 0.512 1.00 0.00 C ATOM 1581 C GLY A 102 -11.769 -0.845 -0.527 1.00 0.00 C ATOM 1582 O GLY A 102 -11.318 -1.533 -1.442 1.00 0.00 O ATOM 0 H GLY A 102 -9.548 -1.878 0.592 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -11.442 0.317 1.240 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -10.185 0.481 0.029 1.00 0.00 H new ATOM 1586 N THR A 103 -13.067 -0.592 -0.385 1.00 0.00 N ATOM 1587 CA THR A 103 -14.055 -1.122 -1.316 1.00 0.00 C ATOM 1588 C THR A 103 -14.401 -0.098 -2.392 1.00 0.00 C ATOM 1589 O THR A 103 -15.115 0.872 -2.134 1.00 0.00 O ATOM 1590 CB THR A 103 -15.346 -1.540 -0.588 1.00 0.00 C ATOM 1591 OG1 THR A 103 -15.029 -2.387 0.523 1.00 0.00 O ATOM 1592 CG2 THR A 103 -16.289 -2.268 -1.534 1.00 0.00 C ATOM 0 H THR A 103 -13.458 -0.023 0.366 1.00 0.00 H new ATOM 0 HA THR A 103 -13.610 -2.000 -1.783 1.00 0.00 H new ATOM 0 HB THR A 103 -15.842 -0.639 -0.228 1.00 0.00 H new ATOM 0 HG1 THR A 103 -15.855 -2.647 0.982 1.00 0.00 H new ATOM 0 HG21 THR A 103 -17.194 -2.553 -0.997 1.00 0.00 H new ATOM 0 HG22 THR A 103 -16.551 -1.611 -2.363 1.00 0.00 H new ATOM 0 HG23 THR A 103 -15.799 -3.162 -1.920 1.00 0.00 H new ATOM 1600 N THR A 104 -13.891 -0.320 -3.599 1.00 0.00 N ATOM 1601 CA THR A 104 -14.146 0.584 -4.714 1.00 0.00 C ATOM 1602 C THR A 104 -15.641 0.723 -4.978 1.00 0.00 C ATOM 1603 O THR A 104 -16.438 -0.114 -4.552 1.00 0.00 O ATOM 1604 CB THR A 104 -13.452 0.098 -6.001 1.00 0.00 C ATOM 1605 OG1 THR A 104 -13.682 -1.304 -6.182 1.00 0.00 O ATOM 1606 CG2 THR A 104 -11.956 0.369 -5.944 1.00 0.00 C ATOM 0 H THR A 104 -13.299 -1.118 -3.830 1.00 0.00 H new ATOM 0 HA THR A 104 -13.737 1.555 -4.434 1.00 0.00 H new ATOM 0 HB THR A 104 -13.873 0.646 -6.844 1.00 0.00 H new ATOM 0 HG1 THR A 104 -13.302 -1.590 -7.039 1.00 0.00 H new ATOM 0 HG21 THR A 104 -11.487 0.017 -6.863 1.00 0.00 H new ATOM 0 HG22 THR A 104 -11.784 1.440 -5.836 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.523 -0.156 -5.092 1.00 0.00 H new ATOM 1614 N PHE A 105 -16.016 1.784 -5.685 1.00 0.00 N ATOM 1615 CA PHE A 105 -17.417 2.033 -6.006 1.00 0.00 C ATOM 1616 C PHE A 105 -17.856 1.199 -7.206 1.00 0.00 C ATOM 1617 O PHE A 105 -17.046 0.510 -7.825 1.00 0.00 O ATOM 1618 CB PHE A 105 -17.640 3.519 -6.294 1.00 0.00 C ATOM 1619 CG PHE A 105 -17.538 4.388 -5.073 1.00 0.00 C ATOM 1620 CD1 PHE A 105 -18.165 4.024 -3.893 1.00 0.00 C ATOM 1621 CD2 PHE A 105 -16.815 5.569 -5.106 1.00 0.00 C ATOM 1622 CE1 PHE A 105 -18.073 4.821 -2.767 1.00 0.00 C ATOM 1623 CE2 PHE A 105 -16.719 6.370 -3.984 1.00 0.00 C ATOM 1624 CZ PHE A 105 -17.350 5.997 -2.814 1.00 0.00 C ATOM 0 H PHE A 105 -15.369 2.485 -6.047 1.00 0.00 H new ATOM 0 HA PHE A 105 -18.019 1.743 -5.145 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -16.908 3.852 -7.030 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -18.625 3.650 -6.742 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -18.733 3.106 -3.852 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -16.321 5.867 -6.019 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -18.565 4.525 -1.853 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -16.151 7.287 -4.022 1.00 0.00 H new ATOM 0 HZ PHE A 105 -17.278 6.624 -1.937 1.00 0.00 H new ATOM 1634 N GLU A 106 -19.144 1.267 -7.527 1.00 0.00 N ATOM 1635 CA GLU A 106 -19.691 0.518 -8.652 1.00 0.00 C ATOM 1636 C GLU A 106 -19.337 1.188 -9.976 1.00 0.00 C ATOM 1637 O GLU A 106 -19.456 2.406 -10.120 1.00 0.00 O ATOM 1638 CB GLU A 106 -21.211 0.394 -8.520 1.00 0.00 C ATOM 1639 CG GLU A 106 -21.651 -0.667 -7.526 1.00 0.00 C ATOM 1640 CD GLU A 106 -23.048 -1.185 -7.806 1.00 0.00 C ATOM 1641 OE1 GLU A 106 -24.001 -0.378 -7.755 1.00 0.00 O ATOM 1642 OE2 GLU A 106 -23.190 -2.396 -8.075 1.00 0.00 O ATOM 0 H GLU A 106 -19.828 1.833 -7.024 1.00 0.00 H new ATOM 0 HA GLU A 106 -19.250 -0.479 -8.640 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -21.621 1.357 -8.216 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -21.634 0.162 -9.497 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -20.947 -1.499 -7.553 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -21.616 -0.252 -6.519 1.00 0.00 H new ATOM 1649 N LEU A 107 -18.902 0.385 -10.941 1.00 0.00 N ATOM 1650 CA LEU A 107 -18.530 0.900 -12.254 1.00 0.00 C ATOM 1651 C LEU A 107 -19.728 1.542 -12.947 1.00 0.00 C ATOM 1652 O LEU A 107 -20.786 0.927 -13.077 1.00 0.00 O ATOM 1653 CB LEU A 107 -17.968 -0.226 -13.124 1.00 0.00 C ATOM 1654 CG LEU A 107 -17.014 0.201 -14.241 1.00 0.00 C ATOM 1655 CD1 LEU A 107 -16.208 -0.988 -14.738 1.00 0.00 C ATOM 1656 CD2 LEU A 107 -17.787 0.840 -15.386 1.00 0.00 C ATOM 0 H LEU A 107 -18.798 -0.625 -10.839 1.00 0.00 H new ATOM 0 HA LEU A 107 -17.763 1.662 -12.114 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -17.446 -0.931 -12.478 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -18.804 -0.763 -13.573 1.00 0.00 H new ATOM 0 HG LEU A 107 -16.321 0.940 -13.839 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -15.535 -0.665 -15.532 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -15.626 -1.402 -13.915 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -16.885 -1.751 -15.124 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -17.093 1.138 -16.172 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -18.503 0.122 -15.787 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -18.319 1.718 -15.020 1.00 0.00 H new