USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 681 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 109 TYR OH : rot 50:sc= -0.753 USER MOD Set 1.2: A 110 ASN : amide:sc= -1.77 K(o=-2.6,f=-3.5!) USER MOD Set 1.3: A 113 LYS NZ :NH3+ -149:sc= -0.116 (180deg=-1.21) USER MOD Set 2.1: A 102 TYR OH : rot -150:sc= -5.18! USER MOD Set 2.2: A 103 GLN : amide:sc= 0 X(o=-7.2,f=-7.2) USER MOD Set 2.3: A 106 GLN : amide:sc= -2.02! C(o=-7.2!,f=-8.1!) USER MOD Set 3.1: A 92 SER OG : rot 86:sc= 0.16 USER MOD Set 3.2: A 96 LYS NZ :NH3+ 143:sc= 0.353 (180deg=0) USER MOD Set 4.1: A 27 THR OG1 : rot -80:sc= -4.19! USER MOD Set 4.2: A 88 ASN : amide:sc= -0.256 X(o=-4.4,f=-4.9) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= -1.31 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc=-0.000397 K(o=-0.0004,f=-1.9!) USER MOD Single : A 41 SER OG : rot 80:sc= 0.00843 USER MOD Single : A 46 LYS NZ :NH3+ -116:sc= -0.618 (180deg=-2.75!) USER MOD Single : A 48 CYS SG : rot -57:sc= -10.1! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -109:sc= 0.928 (180deg=-1.51) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -145:sc= -3.87! (180deg=-4.55!) USER MOD Single : A 66 THR OG1 : rot -42:sc= 0.742 USER MOD Single : A 71 ASN : amide:sc= -2.3 K(o=-2.3,f=-3.1!) USER MOD Single : A 72 CYS SG : rot 26:sc= -2.32! USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 80:sc= 1.08 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -4.82! K(o=-4.8!,f=-2.5) USER MOD Single : A 86 HIS : no HD1:sc= -2.04! K(o=-2!,f=-0.87) USER MOD Single : A 87 GLN : amide:sc= -6.87! C(o=-6.9!,f=-5!) USER MOD Single : A 90 LYS NZ :NH3+ -155:sc= -0.0276 (180deg=-0.424) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 106:sc= 1.19 USER MOD Single : A 101 LYS NZ :NH3+ -156:sc= -0.113 (180deg=-0.827) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= -1.7 K(o=-1.7,f=-2.3!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 70 N THR A 27 -20.417 2.776 -3.789 1.00 0.00 N ATOM 71 CA THR A 27 -19.188 3.371 -4.280 1.00 0.00 C ATOM 72 C THR A 27 -18.509 4.156 -3.159 1.00 0.00 C ATOM 73 O THR A 27 -17.289 4.310 -3.144 1.00 0.00 O ATOM 74 CB THR A 27 -19.488 4.267 -5.489 1.00 0.00 C ATOM 75 OG1 THR A 27 -19.062 3.646 -6.689 1.00 0.00 O ATOM 76 CG2 THR A 27 -18.829 5.624 -5.424 1.00 0.00 C ATOM 0 HA THR A 27 -18.505 2.586 -4.605 1.00 0.00 H new ATOM 0 HB THR A 27 -20.568 4.410 -5.470 1.00 0.00 H new ATOM 0 HG1 THR A 27 -18.096 3.769 -6.796 1.00 0.00 H new ATOM 0 HG21 THR A 27 -19.089 6.198 -6.314 1.00 0.00 H new ATOM 0 HG22 THR A 27 -19.175 6.154 -4.537 1.00 0.00 H new ATOM 0 HG23 THR A 27 -17.747 5.501 -5.375 1.00 0.00 H new ATOM 84 N LYS A 28 -19.311 4.636 -2.211 1.00 0.00 N ATOM 85 CA LYS A 28 -18.784 5.383 -1.078 1.00 0.00 C ATOM 86 C LYS A 28 -17.908 4.473 -0.227 1.00 0.00 C ATOM 87 O LYS A 28 -16.836 4.871 0.231 1.00 0.00 O ATOM 88 CB LYS A 28 -19.927 5.954 -0.236 1.00 0.00 C ATOM 89 CG LYS A 28 -19.562 7.235 0.497 1.00 0.00 C ATOM 90 CD LYS A 28 -19.274 8.371 -0.472 1.00 0.00 C ATOM 91 CE LYS A 28 -18.043 9.161 -0.057 1.00 0.00 C ATOM 92 NZ LYS A 28 -17.222 9.568 -1.230 1.00 0.00 N ATOM 0 H LYS A 28 -20.324 4.520 -2.207 1.00 0.00 H new ATOM 0 HA LYS A 28 -18.183 6.213 -1.450 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -20.783 6.147 -0.883 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -20.240 5.205 0.492 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -20.378 7.520 1.161 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -18.688 7.060 1.124 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -19.127 7.967 -1.474 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -20.136 9.037 -0.520 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -18.351 10.048 0.496 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -17.436 8.559 0.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -16.393 10.104 -0.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -16.906 8.721 -1.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.793 10.164 -1.863 1.00 0.00 H new ATOM 106 N GLU A 29 -18.368 3.239 -0.038 1.00 0.00 N ATOM 107 CA GLU A 29 -17.624 2.257 0.737 1.00 0.00 C ATOM 108 C GLU A 29 -16.261 2.016 0.101 1.00 0.00 C ATOM 109 O GLU A 29 -15.263 1.819 0.793 1.00 0.00 O ATOM 110 CB GLU A 29 -18.404 0.945 0.818 1.00 0.00 C ATOM 111 CG GLU A 29 -19.288 0.837 2.050 1.00 0.00 C ATOM 112 CD GLU A 29 -18.789 -0.200 3.038 1.00 0.00 C ATOM 113 OE1 GLU A 29 -18.166 -1.189 2.597 1.00 0.00 O ATOM 114 OE2 GLU A 29 -19.022 -0.023 4.252 1.00 0.00 O ATOM 0 H GLU A 29 -19.253 2.898 -0.412 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.481 2.642 1.747 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -19.024 0.845 -0.073 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -17.700 0.113 0.812 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -19.338 1.808 2.543 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -20.303 0.582 1.743 1.00 0.00 H new ATOM 121 N LEU A 30 -16.232 2.045 -1.229 1.00 0.00 N ATOM 122 CA LEU A 30 -14.996 1.843 -1.973 1.00 0.00 C ATOM 123 C LEU A 30 -13.966 2.895 -1.580 1.00 0.00 C ATOM 124 O LEU A 30 -12.836 2.567 -1.219 1.00 0.00 O ATOM 125 CB LEU A 30 -15.277 1.892 -3.478 1.00 0.00 C ATOM 126 CG LEU A 30 -14.094 2.281 -4.366 1.00 0.00 C ATOM 127 CD1 LEU A 30 -13.008 1.221 -4.295 1.00 0.00 C ATOM 128 CD2 LEU A 30 -14.551 2.484 -5.803 1.00 0.00 C ATOM 0 H LEU A 30 -17.053 2.207 -1.813 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.590 0.861 -1.729 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.636 0.912 -3.793 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -16.087 2.600 -3.654 1.00 0.00 H new ATOM 0 HG LEU A 30 -13.681 3.222 -4.002 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.173 1.512 -4.932 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -12.662 1.123 -3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.409 0.266 -4.636 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.697 2.760 -6.421 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -14.988 1.559 -6.180 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -15.297 3.278 -5.839 1.00 0.00 H new ATOM 140 N SER A 31 -14.370 4.160 -1.634 1.00 0.00 N ATOM 141 CA SER A 31 -13.485 5.258 -1.261 1.00 0.00 C ATOM 142 C SER A 31 -12.945 5.034 0.148 1.00 0.00 C ATOM 143 O SER A 31 -11.869 5.516 0.496 1.00 0.00 O ATOM 144 CB SER A 31 -14.228 6.593 -1.333 1.00 0.00 C ATOM 145 OG SER A 31 -14.470 6.970 -2.678 1.00 0.00 O ATOM 0 H SER A 31 -15.302 4.450 -1.931 1.00 0.00 H new ATOM 0 HA SER A 31 -12.651 5.288 -1.962 1.00 0.00 H new ATOM 0 HB2 SER A 31 -15.174 6.515 -0.798 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.643 7.366 -0.835 1.00 0.00 H new ATOM 0 HG SER A 31 -14.948 7.826 -2.697 1.00 0.00 H new ATOM 151 N ASN A 32 -13.699 4.282 0.951 1.00 0.00 N ATOM 152 CA ASN A 32 -13.289 3.974 2.314 1.00 0.00 C ATOM 153 C ASN A 32 -12.092 3.033 2.291 1.00 0.00 C ATOM 154 O ASN A 32 -11.156 3.178 3.077 1.00 0.00 O ATOM 155 CB ASN A 32 -14.445 3.340 3.091 1.00 0.00 C ATOM 156 CG ASN A 32 -14.509 3.820 4.528 1.00 0.00 C ATOM 157 OD1 ASN A 32 -13.542 3.699 5.279 1.00 0.00 O ATOM 158 ND2 ASN A 32 -15.654 4.370 4.917 1.00 0.00 N ATOM 0 H ASN A 32 -14.595 3.877 0.678 1.00 0.00 H new ATOM 0 HA ASN A 32 -13.006 4.900 2.814 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -15.385 3.572 2.591 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -14.336 2.256 3.078 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -15.757 4.712 5.872 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -16.430 4.450 4.260 1.00 0.00 H new ATOM 165 N LEU A 33 -12.120 2.080 1.361 1.00 0.00 N ATOM 166 CA LEU A 33 -11.026 1.131 1.211 1.00 0.00 C ATOM 167 C LEU A 33 -9.837 1.840 0.586 1.00 0.00 C ATOM 168 O LEU A 33 -8.691 1.638 0.984 1.00 0.00 O ATOM 169 CB LEU A 33 -11.446 -0.058 0.340 1.00 0.00 C ATOM 170 CG LEU A 33 -12.914 -0.478 0.456 1.00 0.00 C ATOM 171 CD1 LEU A 33 -13.320 -1.328 -0.737 1.00 0.00 C ATOM 172 CD2 LEU A 33 -13.153 -1.226 1.758 1.00 0.00 C ATOM 0 H LEU A 33 -12.888 1.947 0.703 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.754 0.747 2.194 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.238 0.186 -0.702 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.821 -0.913 0.598 1.00 0.00 H new ATOM 0 HG LEU A 33 -13.532 0.420 0.461 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -14.366 -1.618 -0.638 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -13.187 -0.754 -1.654 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.698 -2.222 -0.775 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -14.201 -1.517 1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.527 -2.118 1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.902 -0.580 2.600 1.00 0.00 H new ATOM 184 N ILE A 34 -10.132 2.695 -0.385 1.00 0.00 N ATOM 185 CA ILE A 34 -9.109 3.472 -1.062 1.00 0.00 C ATOM 186 C ILE A 34 -8.500 4.474 -0.091 1.00 0.00 C ATOM 187 O ILE A 34 -7.284 4.653 -0.045 1.00 0.00 O ATOM 188 CB ILE A 34 -9.702 4.216 -2.278 1.00 0.00 C ATOM 189 CG1 ILE A 34 -9.979 3.235 -3.416 1.00 0.00 C ATOM 190 CG2 ILE A 34 -8.780 5.330 -2.752 1.00 0.00 C ATOM 191 CD1 ILE A 34 -10.710 3.859 -4.583 1.00 0.00 C ATOM 0 H ILE A 34 -11.080 2.867 -0.721 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.335 2.792 -1.418 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.642 4.671 -1.966 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.034 2.822 -3.768 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.567 2.402 -3.032 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.228 5.833 -3.609 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.633 6.048 -1.946 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.818 4.908 -3.041 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.874 3.106 -5.354 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -11.671 4.247 -4.245 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -10.113 4.674 -4.992 1.00 0.00 H new ATOM 203 N GLU A 35 -9.359 5.118 0.694 1.00 0.00 N ATOM 204 CA GLU A 35 -8.910 6.094 1.674 1.00 0.00 C ATOM 205 C GLU A 35 -7.866 5.470 2.589 1.00 0.00 C ATOM 206 O GLU A 35 -6.923 6.134 3.023 1.00 0.00 O ATOM 207 CB GLU A 35 -10.092 6.612 2.497 1.00 0.00 C ATOM 208 CG GLU A 35 -10.711 7.882 1.938 1.00 0.00 C ATOM 209 CD GLU A 35 -11.446 8.686 2.994 1.00 0.00 C ATOM 210 OE1 GLU A 35 -10.808 9.071 3.996 1.00 0.00 O ATOM 211 OE2 GLU A 35 -12.658 8.930 2.817 1.00 0.00 O ATOM 0 H GLU A 35 -10.369 4.980 0.668 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.462 6.936 1.147 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.856 5.837 2.548 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.759 6.799 3.518 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.929 8.499 1.496 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.403 7.622 1.137 1.00 0.00 H new ATOM 218 N THR A 36 -8.024 4.176 2.855 1.00 0.00 N ATOM 219 CA THR A 36 -7.079 3.458 3.691 1.00 0.00 C ATOM 220 C THR A 36 -5.850 3.117 2.863 1.00 0.00 C ATOM 221 O THR A 36 -4.717 3.252 3.324 1.00 0.00 O ATOM 222 CB THR A 36 -7.727 2.194 4.278 1.00 0.00 C ATOM 223 OG1 THR A 36 -7.475 2.104 5.668 1.00 0.00 O ATOM 224 CG2 THR A 36 -7.250 0.902 3.645 1.00 0.00 C ATOM 0 H THR A 36 -8.796 3.609 2.503 1.00 0.00 H new ATOM 0 HA THR A 36 -6.779 4.085 4.530 1.00 0.00 H new ATOM 0 HB THR A 36 -8.791 2.303 4.066 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.896 1.294 6.025 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.755 0.058 4.115 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.478 0.913 2.579 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.173 0.804 3.785 1.00 0.00 H new ATOM 232 N PHE A 37 -6.087 2.702 1.621 1.00 0.00 N ATOM 233 CA PHE A 37 -5.003 2.372 0.710 1.00 0.00 C ATOM 234 C PHE A 37 -4.103 3.584 0.536 1.00 0.00 C ATOM 235 O PHE A 37 -2.880 3.468 0.522 1.00 0.00 O ATOM 236 CB PHE A 37 -5.553 1.929 -0.646 1.00 0.00 C ATOM 237 CG PHE A 37 -4.576 1.138 -1.476 1.00 0.00 C ATOM 238 CD1 PHE A 37 -3.554 0.399 -0.888 1.00 0.00 C ATOM 239 CD2 PHE A 37 -4.678 1.144 -2.856 1.00 0.00 C ATOM 240 CE1 PHE A 37 -2.661 -0.313 -1.667 1.00 0.00 C ATOM 241 CE2 PHE A 37 -3.789 0.433 -3.635 1.00 0.00 C ATOM 242 CZ PHE A 37 -2.779 -0.295 -3.040 1.00 0.00 C ATOM 0 H PHE A 37 -7.020 2.587 1.226 1.00 0.00 H new ATOM 0 HA PHE A 37 -4.427 1.548 1.131 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.447 1.327 -0.484 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.860 2.811 -1.208 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.457 0.381 0.188 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.464 1.713 -3.330 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.871 -0.883 -1.200 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.883 0.446 -4.711 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.082 -0.850 -3.650 1.00 0.00 H new ATOM 252 N ALA A 38 -4.724 4.755 0.429 1.00 0.00 N ATOM 253 CA ALA A 38 -3.983 5.999 0.288 1.00 0.00 C ATOM 254 C ALA A 38 -3.068 6.187 1.489 1.00 0.00 C ATOM 255 O ALA A 38 -1.919 6.605 1.352 1.00 0.00 O ATOM 256 CB ALA A 38 -4.938 7.175 0.153 1.00 0.00 C ATOM 0 H ALA A 38 -5.738 4.866 0.437 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.376 5.952 -0.616 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.367 8.097 0.048 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.565 7.035 -0.727 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.567 7.237 1.041 1.00 0.00 H new ATOM 262 N GLU A 39 -3.586 5.848 2.668 1.00 0.00 N ATOM 263 CA GLU A 39 -2.815 5.950 3.898 1.00 0.00 C ATOM 264 C GLU A 39 -1.736 4.871 3.907 1.00 0.00 C ATOM 265 O GLU A 39 -0.566 5.145 4.176 1.00 0.00 O ATOM 266 CB GLU A 39 -3.745 5.821 5.117 1.00 0.00 C ATOM 267 CG GLU A 39 -3.219 4.921 6.229 1.00 0.00 C ATOM 268 CD GLU A 39 -3.845 5.233 7.574 1.00 0.00 C ATOM 269 OE1 GLU A 39 -4.205 6.407 7.803 1.00 0.00 O ATOM 270 OE2 GLU A 39 -3.976 4.303 8.398 1.00 0.00 O ATOM 0 H GLU A 39 -4.537 5.501 2.794 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.331 6.925 3.951 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.924 6.815 5.527 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.708 5.436 4.782 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.416 3.880 5.973 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.137 5.032 6.301 1.00 0.00 H new ATOM 277 N GLN A 40 -2.142 3.645 3.587 1.00 0.00 N ATOM 278 CA GLN A 40 -1.220 2.522 3.531 1.00 0.00 C ATOM 279 C GLN A 40 -0.137 2.793 2.495 1.00 0.00 C ATOM 280 O GLN A 40 1.022 2.422 2.677 1.00 0.00 O ATOM 281 CB GLN A 40 -1.970 1.235 3.182 1.00 0.00 C ATOM 282 CG GLN A 40 -3.093 0.900 4.150 1.00 0.00 C ATOM 283 CD GLN A 40 -2.596 0.189 5.391 1.00 0.00 C ATOM 284 OE1 GLN A 40 -1.411 0.245 5.721 1.00 0.00 O ATOM 285 NE2 GLN A 40 -3.502 -0.484 6.087 1.00 0.00 N ATOM 0 H GLN A 40 -3.108 3.407 3.362 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.755 2.399 4.509 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.383 1.327 2.178 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.262 0.407 3.161 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.603 1.818 4.441 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.828 0.273 3.646 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.473 -0.503 5.776 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.228 -0.983 6.933 1.00 0.00 H new ATOM 294 N SER A 41 -0.527 3.462 1.410 1.00 0.00 N ATOM 295 CA SER A 41 0.405 3.807 0.346 1.00 0.00 C ATOM 296 C SER A 41 1.508 4.695 0.899 1.00 0.00 C ATOM 297 O SER A 41 2.694 4.412 0.730 1.00 0.00 O ATOM 298 CB SER A 41 -0.324 4.519 -0.795 1.00 0.00 C ATOM 299 OG SER A 41 -0.790 3.593 -1.760 1.00 0.00 O ATOM 0 H SER A 41 -1.484 3.775 1.248 1.00 0.00 H new ATOM 0 HA SER A 41 0.846 2.891 -0.047 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.165 5.086 -0.395 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.347 5.235 -1.269 1.00 0.00 H new ATOM 0 HG SER A 41 -1.621 3.181 -1.443 1.00 0.00 H new ATOM 305 N ARG A 42 1.105 5.756 1.592 1.00 0.00 N ATOM 306 CA ARG A 42 2.064 6.666 2.204 1.00 0.00 C ATOM 307 C ARG A 42 2.835 5.921 3.280 1.00 0.00 C ATOM 308 O ARG A 42 4.006 6.196 3.529 1.00 0.00 O ATOM 309 CB ARG A 42 1.365 7.886 2.816 1.00 0.00 C ATOM 310 CG ARG A 42 0.090 8.299 2.096 1.00 0.00 C ATOM 311 CD ARG A 42 0.029 9.804 1.883 1.00 0.00 C ATOM 312 NE ARG A 42 -0.007 10.535 3.148 1.00 0.00 N ATOM 313 CZ ARG A 42 0.305 11.824 3.269 1.00 0.00 C ATOM 314 NH1 ARG A 42 0.676 12.527 2.206 1.00 0.00 N ATOM 315 NH2 ARG A 42 0.246 12.411 4.456 1.00 0.00 N ATOM 0 H ARG A 42 0.127 6.005 1.742 1.00 0.00 H new ATOM 0 HA ARG A 42 2.745 7.025 1.432 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.127 7.670 3.858 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.059 8.727 2.815 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.035 7.792 1.133 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.776 7.978 2.675 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.896 10.124 1.304 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.855 10.052 1.296 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.288 10.028 3.988 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.723 12.080 1.290 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.914 13.514 2.305 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.038 11.875 5.276 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.485 13.398 4.549 1.00 0.00 H new ATOM 329 N VAL A 43 2.166 4.956 3.903 1.00 0.00 N ATOM 330 CA VAL A 43 2.781 4.146 4.936 1.00 0.00 C ATOM 331 C VAL A 43 3.900 3.308 4.338 1.00 0.00 C ATOM 332 O VAL A 43 5.037 3.351 4.800 1.00 0.00 O ATOM 333 CB VAL A 43 1.743 3.230 5.618 1.00 0.00 C ATOM 334 CG1 VAL A 43 2.388 1.967 6.169 1.00 0.00 C ATOM 335 CG2 VAL A 43 1.025 3.983 6.721 1.00 0.00 C ATOM 0 H VAL A 43 1.194 4.719 3.706 1.00 0.00 H new ATOM 0 HA VAL A 43 3.192 4.814 5.693 1.00 0.00 H new ATOM 0 HB VAL A 43 1.017 2.927 4.863 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.627 1.346 6.642 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.855 1.412 5.355 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.145 2.237 6.905 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.295 3.326 7.195 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.749 4.317 7.464 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.514 4.848 6.298 1.00 0.00 H new ATOM 345 N LEU A 44 3.581 2.556 3.291 1.00 0.00 N ATOM 346 CA LEU A 44 4.582 1.733 2.634 1.00 0.00 C ATOM 347 C LEU A 44 5.800 2.588 2.320 1.00 0.00 C ATOM 348 O LEU A 44 6.924 2.217 2.633 1.00 0.00 O ATOM 349 CB LEU A 44 4.015 1.105 1.351 1.00 0.00 C ATOM 350 CG LEU A 44 4.249 -0.407 1.161 1.00 0.00 C ATOM 351 CD1 LEU A 44 5.488 -0.664 0.314 1.00 0.00 C ATOM 352 CD2 LEU A 44 4.360 -1.137 2.494 1.00 0.00 C ATOM 0 H LEU A 44 2.647 2.501 2.884 1.00 0.00 H new ATOM 0 HA LEU A 44 4.872 0.920 3.299 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.941 1.289 1.327 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.447 1.627 0.497 1.00 0.00 H new ATOM 0 HG LEU A 44 3.378 -0.802 0.637 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.631 -1.738 0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.361 -0.204 -0.666 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.361 -0.234 0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.524 -2.199 2.314 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.197 -0.731 3.062 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.438 -1.003 3.060 1.00 0.00 H new ATOM 364 N GLU A 45 5.564 3.756 1.734 1.00 0.00 N ATOM 365 CA GLU A 45 6.653 4.665 1.415 1.00 0.00 C ATOM 366 C GLU A 45 7.328 5.146 2.698 1.00 0.00 C ATOM 367 O GLU A 45 8.534 5.384 2.724 1.00 0.00 O ATOM 368 CB GLU A 45 6.142 5.846 0.571 1.00 0.00 C ATOM 369 CG GLU A 45 5.860 7.121 1.356 1.00 0.00 C ATOM 370 CD GLU A 45 7.031 8.084 1.342 1.00 0.00 C ATOM 371 OE1 GLU A 45 7.958 7.905 2.160 1.00 0.00 O ATOM 372 OE2 GLU A 45 7.022 9.018 0.512 1.00 0.00 O ATOM 0 H GLU A 45 4.637 4.092 1.473 1.00 0.00 H new ATOM 0 HA GLU A 45 7.396 4.133 0.821 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.879 6.068 -0.201 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.228 5.541 0.061 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.983 7.615 0.937 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.619 6.863 2.387 1.00 0.00 H new ATOM 379 N LYS A 46 6.542 5.269 3.768 1.00 0.00 N ATOM 380 CA LYS A 46 7.073 5.702 5.056 1.00 0.00 C ATOM 381 C LYS A 46 7.987 4.622 5.627 1.00 0.00 C ATOM 382 O LYS A 46 9.138 4.884 5.985 1.00 0.00 O ATOM 383 CB LYS A 46 5.927 6.045 6.030 1.00 0.00 C ATOM 384 CG LYS A 46 5.614 4.971 7.069 1.00 0.00 C ATOM 385 CD LYS A 46 4.524 5.415 8.028 1.00 0.00 C ATOM 386 CE LYS A 46 4.140 4.297 8.985 1.00 0.00 C ATOM 387 NZ LYS A 46 2.838 4.562 9.657 1.00 0.00 N ATOM 0 H LYS A 46 5.541 5.075 3.767 1.00 0.00 H new ATOM 0 HA LYS A 46 7.661 6.608 4.914 1.00 0.00 H new ATOM 0 HB2 LYS A 46 6.178 6.969 6.550 1.00 0.00 H new ATOM 0 HB3 LYS A 46 5.025 6.241 5.450 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.303 4.056 6.564 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.518 4.734 7.630 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.866 6.280 8.595 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.647 5.731 7.464 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.081 3.356 8.438 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.920 4.180 9.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.991 4.667 10.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.423 5.437 9.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.190 3.768 9.483 1.00 0.00 H new ATOM 401 N GLU A 47 7.474 3.400 5.688 1.00 0.00 N ATOM 402 CA GLU A 47 8.250 2.281 6.190 1.00 0.00 C ATOM 403 C GLU A 47 9.356 1.928 5.208 1.00 0.00 C ATOM 404 O GLU A 47 10.426 1.475 5.602 1.00 0.00 O ATOM 405 CB GLU A 47 7.349 1.065 6.419 1.00 0.00 C ATOM 406 CG GLU A 47 6.405 1.200 7.602 1.00 0.00 C ATOM 407 CD GLU A 47 7.059 1.816 8.824 1.00 0.00 C ATOM 408 OE1 GLU A 47 7.323 3.037 8.805 1.00 0.00 O ATOM 409 OE2 GLU A 47 7.305 1.077 9.800 1.00 0.00 O ATOM 0 H GLU A 47 6.526 3.162 5.396 1.00 0.00 H new ATOM 0 HA GLU A 47 8.697 2.570 7.141 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.761 0.888 5.518 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.976 0.186 6.568 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.551 1.811 7.309 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.018 0.215 7.863 1.00 0.00 H new ATOM 416 N CYS A 48 9.085 2.144 3.926 1.00 0.00 N ATOM 417 CA CYS A 48 10.052 1.854 2.877 1.00 0.00 C ATOM 418 C CYS A 48 11.164 2.894 2.859 1.00 0.00 C ATOM 419 O CYS A 48 12.300 2.591 2.493 1.00 0.00 O ATOM 420 CB CYS A 48 9.361 1.815 1.514 1.00 0.00 C ATOM 421 SG CYS A 48 8.289 0.380 1.272 1.00 0.00 S ATOM 0 H CYS A 48 8.199 2.521 3.588 1.00 0.00 H new ATOM 0 HA CYS A 48 10.491 0.879 3.085 1.00 0.00 H new ATOM 0 HB2 CYS A 48 8.769 2.722 1.393 1.00 0.00 H new ATOM 0 HB3 CYS A 48 10.121 1.823 0.733 1.00 0.00 H new ATOM 0 HG CYS A 48 8.981 -0.710 1.428 1.00 0.00 H new ATOM 427 N THR A 49 10.835 4.122 3.249 1.00 0.00 N ATOM 428 CA THR A 49 11.823 5.191 3.262 1.00 0.00 C ATOM 429 C THR A 49 12.871 4.950 4.342 1.00 0.00 C ATOM 430 O THR A 49 14.033 5.321 4.176 1.00 0.00 O ATOM 431 CB THR A 49 11.156 6.559 3.454 1.00 0.00 C ATOM 432 OG1 THR A 49 12.060 7.601 3.132 1.00 0.00 O ATOM 433 CG2 THR A 49 10.656 6.813 4.861 1.00 0.00 C ATOM 0 H THR A 49 9.902 4.398 3.557 1.00 0.00 H new ATOM 0 HA THR A 49 12.323 5.192 2.293 1.00 0.00 H new ATOM 0 HB THR A 49 10.295 6.546 2.786 1.00 0.00 H new ATOM 0 HG1 THR A 49 11.619 8.467 3.258 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.198 7.801 4.912 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.917 6.057 5.127 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.492 6.764 5.559 1.00 0.00 H new ATOM 441 N LYS A 50 12.466 4.335 5.454 1.00 0.00 N ATOM 442 CA LYS A 50 13.402 4.073 6.537 1.00 0.00 C ATOM 443 C LYS A 50 14.159 2.756 6.336 1.00 0.00 C ATOM 444 O LYS A 50 15.213 2.553 6.936 1.00 0.00 O ATOM 445 CB LYS A 50 12.678 4.082 7.882 1.00 0.00 C ATOM 446 CG LYS A 50 11.858 2.835 8.152 1.00 0.00 C ATOM 447 CD LYS A 50 10.616 3.164 8.960 1.00 0.00 C ATOM 448 CE LYS A 50 10.089 1.942 9.690 1.00 0.00 C ATOM 449 NZ LYS A 50 9.275 2.315 10.880 1.00 0.00 N ATOM 0 H LYS A 50 11.512 4.015 5.623 1.00 0.00 H new ATOM 0 HA LYS A 50 14.142 4.873 6.531 1.00 0.00 H new ATOM 0 HB2 LYS A 50 13.414 4.199 8.678 1.00 0.00 H new ATOM 0 HB3 LYS A 50 12.022 4.951 7.924 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.570 2.374 7.207 1.00 0.00 H new ATOM 0 HG3 LYS A 50 12.464 2.107 8.691 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.846 3.949 9.681 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.843 3.556 8.299 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.483 1.345 9.008 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.925 1.317 10.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.799 2.079 11.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.080 3.336 10.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.377 1.791 10.864 1.00 0.00 H new ATOM 463 N ILE A 51 13.630 1.865 5.489 1.00 0.00 N ATOM 464 CA ILE A 51 14.288 0.583 5.225 1.00 0.00 C ATOM 465 C ILE A 51 15.789 0.771 5.006 1.00 0.00 C ATOM 466 O ILE A 51 16.209 1.572 4.171 1.00 0.00 O ATOM 467 CB ILE A 51 13.679 -0.123 3.990 1.00 0.00 C ATOM 468 CG1 ILE A 51 12.250 -0.583 4.295 1.00 0.00 C ATOM 469 CG2 ILE A 51 14.548 -1.300 3.548 1.00 0.00 C ATOM 470 CD1 ILE A 51 12.169 -1.790 5.203 1.00 0.00 C ATOM 0 H ILE A 51 12.757 2.007 4.980 1.00 0.00 H new ATOM 0 HA ILE A 51 14.127 -0.042 6.103 1.00 0.00 H new ATOM 0 HB ILE A 51 13.645 0.591 3.167 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.705 0.241 4.755 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.746 -0.814 3.356 1.00 0.00 H new ATOM 0 HG21 ILE A 51 14.097 -1.779 2.678 1.00 0.00 H new ATOM 0 HG22 ILE A 51 15.544 -0.940 3.289 1.00 0.00 H new ATOM 0 HG23 ILE A 51 14.624 -2.022 4.361 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.124 -2.051 5.369 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.683 -2.631 4.737 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.642 -1.559 6.158 1.00 0.00 H new ATOM 606 N LEU A 60 10.533 -4.151 11.302 1.00 0.00 N ATOM 607 CA LEU A 60 9.959 -3.190 10.371 1.00 0.00 C ATOM 608 C LEU A 60 9.610 -3.883 9.058 1.00 0.00 C ATOM 609 O LEU A 60 8.459 -3.861 8.622 1.00 0.00 O ATOM 610 CB LEU A 60 10.939 -2.027 10.135 1.00 0.00 C ATOM 611 CG LEU A 60 11.091 -1.556 8.682 1.00 0.00 C ATOM 612 CD1 LEU A 60 9.746 -1.132 8.110 1.00 0.00 C ATOM 613 CD2 LEU A 60 12.096 -0.415 8.593 1.00 0.00 C ATOM 0 HA LEU A 60 9.044 -2.781 10.799 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.616 -1.179 10.739 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.921 -2.325 10.503 1.00 0.00 H new ATOM 0 HG LEU A 60 11.465 -2.391 8.089 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.877 -0.802 7.079 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.057 -1.976 8.136 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.340 -0.314 8.704 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.191 -0.094 7.556 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.752 0.421 9.202 1.00 0.00 H new ATOM 0 HD23 LEU A 60 13.065 -0.755 8.958 1.00 0.00 H new ATOM 625 N ARG A 61 10.607 -4.505 8.437 1.00 0.00 N ATOM 626 CA ARG A 61 10.395 -5.210 7.182 1.00 0.00 C ATOM 627 C ARG A 61 9.361 -6.304 7.373 1.00 0.00 C ATOM 628 O ARG A 61 8.493 -6.509 6.525 1.00 0.00 O ATOM 629 CB ARG A 61 11.710 -5.792 6.677 1.00 0.00 C ATOM 630 CG ARG A 61 12.886 -4.860 6.896 1.00 0.00 C ATOM 631 CD ARG A 61 14.157 -5.421 6.307 1.00 0.00 C ATOM 632 NE ARG A 61 15.046 -4.365 5.832 1.00 0.00 N ATOM 633 CZ ARG A 61 16.268 -4.583 5.353 1.00 0.00 C ATOM 634 NH1 ARG A 61 16.750 -5.818 5.280 1.00 0.00 N ATOM 635 NH2 ARG A 61 17.011 -3.563 4.945 1.00 0.00 N ATOM 0 H ARG A 61 11.566 -4.534 8.783 1.00 0.00 H new ATOM 0 HA ARG A 61 10.024 -4.508 6.436 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.902 -6.738 7.184 1.00 0.00 H new ATOM 0 HB3 ARG A 61 11.620 -6.013 5.613 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.672 -3.891 6.445 1.00 0.00 H new ATOM 0 HG3 ARG A 61 13.023 -4.691 7.964 1.00 0.00 H new ATOM 0 HD2 ARG A 61 14.672 -6.020 7.058 1.00 0.00 H new ATOM 0 HD3 ARG A 61 13.911 -6.088 5.481 1.00 0.00 H new ATOM 0 HE ARG A 61 14.710 -3.403 5.870 1.00 0.00 H new ATOM 0 HH11 ARG A 61 16.183 -6.606 5.592 1.00 0.00 H new ATOM 0 HH12 ARG A 61 17.688 -5.979 4.912 1.00 0.00 H new ATOM 0 HH21 ARG A 61 16.646 -2.612 4.999 1.00 0.00 H new ATOM 0 HH22 ARG A 61 17.948 -3.729 4.578 1.00 0.00 H new ATOM 649 N TYR A 62 9.433 -6.980 8.516 1.00 0.00 N ATOM 650 CA TYR A 62 8.468 -8.022 8.830 1.00 0.00 C ATOM 651 C TYR A 62 7.088 -7.398 8.893 1.00 0.00 C ATOM 652 O TYR A 62 6.174 -7.815 8.193 1.00 0.00 O ATOM 653 CB TYR A 62 8.811 -8.699 10.159 1.00 0.00 C ATOM 654 CG TYR A 62 9.320 -10.112 9.997 1.00 0.00 C ATOM 655 CD1 TYR A 62 8.438 -11.182 9.947 1.00 0.00 C ATOM 656 CD2 TYR A 62 10.679 -10.375 9.892 1.00 0.00 C ATOM 657 CE1 TYR A 62 8.895 -12.477 9.799 1.00 0.00 C ATOM 658 CE2 TYR A 62 11.146 -11.667 9.743 1.00 0.00 C ATOM 659 CZ TYR A 62 10.249 -12.715 9.697 1.00 0.00 C ATOM 660 OH TYR A 62 10.709 -14.003 9.549 1.00 0.00 O ATOM 0 H TYR A 62 10.143 -6.825 9.232 1.00 0.00 H new ATOM 0 HA TYR A 62 8.493 -8.788 8.055 1.00 0.00 H new ATOM 0 HB2 TYR A 62 9.565 -8.106 10.677 1.00 0.00 H new ATOM 0 HB3 TYR A 62 7.924 -8.710 10.792 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.376 -10.999 10.025 1.00 0.00 H new ATOM 0 HD2 TYR A 62 11.383 -9.557 9.927 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.195 -13.299 9.763 1.00 0.00 H new ATOM 0 HE2 TYR A 62 12.206 -11.856 9.663 1.00 0.00 H new ATOM 0 HH TYR A 62 11.687 -13.996 9.491 1.00 0.00 H new ATOM 670 N LYS A 63 6.960 -6.360 9.707 1.00 0.00 N ATOM 671 CA LYS A 63 5.703 -5.641 9.832 1.00 0.00 C ATOM 672 C LYS A 63 5.239 -5.184 8.450 1.00 0.00 C ATOM 673 O LYS A 63 4.057 -5.253 8.118 1.00 0.00 O ATOM 674 CB LYS A 63 5.889 -4.438 10.767 1.00 0.00 C ATOM 675 CG LYS A 63 4.745 -3.435 10.741 1.00 0.00 C ATOM 676 CD LYS A 63 5.242 -2.021 10.993 1.00 0.00 C ATOM 677 CE LYS A 63 5.400 -1.246 9.694 1.00 0.00 C ATOM 678 NZ LYS A 63 4.574 -0.006 9.685 1.00 0.00 N ATOM 0 H LYS A 63 7.713 -5.997 10.291 1.00 0.00 H new ATOM 0 HA LYS A 63 4.943 -6.296 10.257 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.013 -4.802 11.787 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.812 -3.924 10.498 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.242 -3.479 9.775 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.007 -3.703 11.497 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.543 -1.499 11.646 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.198 -2.058 11.515 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.449 -0.985 9.552 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.113 -1.880 8.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.221 0.169 8.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.769 -0.120 10.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.155 0.800 9.993 1.00 0.00 H new ATOM 692 N ILE A 64 6.193 -4.723 7.648 1.00 0.00 N ATOM 693 CA ILE A 64 5.912 -4.254 6.304 1.00 0.00 C ATOM 694 C ILE A 64 5.319 -5.366 5.428 1.00 0.00 C ATOM 695 O ILE A 64 4.258 -5.198 4.828 1.00 0.00 O ATOM 696 CB ILE A 64 7.205 -3.686 5.659 1.00 0.00 C ATOM 697 CG1 ILE A 64 7.116 -2.162 5.556 1.00 0.00 C ATOM 698 CG2 ILE A 64 7.480 -4.305 4.293 1.00 0.00 C ATOM 699 CD1 ILE A 64 8.190 -1.538 4.686 1.00 0.00 C ATOM 0 H ILE A 64 7.176 -4.666 7.913 1.00 0.00 H new ATOM 0 HA ILE A 64 5.168 -3.461 6.374 1.00 0.00 H new ATOM 0 HB ILE A 64 8.043 -3.950 6.305 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.138 -1.892 5.158 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.181 -1.736 6.557 1.00 0.00 H new ATOM 0 HG21 ILE A 64 8.394 -3.879 3.878 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.598 -5.383 4.399 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.645 -4.095 3.624 1.00 0.00 H new ATOM 0 HD11 ILE A 64 8.058 -0.456 4.664 1.00 0.00 H new ATOM 0 HD12 ILE A 64 9.172 -1.775 5.094 1.00 0.00 H new ATOM 0 HD13 ILE A 64 8.113 -1.933 3.673 1.00 0.00 H new ATOM 711 N GLU A 65 6.024 -6.488 5.336 1.00 0.00 N ATOM 712 CA GLU A 65 5.579 -7.605 4.504 1.00 0.00 C ATOM 713 C GLU A 65 4.520 -8.467 5.191 1.00 0.00 C ATOM 714 O GLU A 65 3.732 -9.132 4.520 1.00 0.00 O ATOM 715 CB GLU A 65 6.775 -8.475 4.114 1.00 0.00 C ATOM 716 CG GLU A 65 7.816 -7.743 3.283 1.00 0.00 C ATOM 717 CD GLU A 65 8.692 -8.686 2.483 1.00 0.00 C ATOM 718 OE1 GLU A 65 9.382 -9.524 3.101 1.00 0.00 O ATOM 719 OE2 GLU A 65 8.689 -8.588 1.238 1.00 0.00 O ATOM 0 H GLU A 65 6.904 -6.650 5.825 1.00 0.00 H new ATOM 0 HA GLU A 65 5.120 -7.175 3.614 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.247 -8.855 5.020 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.418 -9.339 3.554 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.314 -7.055 2.603 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.443 -7.141 3.941 1.00 0.00 H new ATOM 726 N THR A 66 4.521 -8.487 6.518 1.00 0.00 N ATOM 727 CA THR A 66 3.576 -9.303 7.262 1.00 0.00 C ATOM 728 C THR A 66 2.278 -8.562 7.594 1.00 0.00 C ATOM 729 O THR A 66 1.269 -9.200 7.896 1.00 0.00 O ATOM 730 CB THR A 66 4.229 -9.805 8.546 1.00 0.00 C ATOM 731 OG1 THR A 66 4.380 -8.754 9.484 1.00 0.00 O ATOM 732 CG2 THR A 66 5.590 -10.429 8.321 1.00 0.00 C ATOM 0 H THR A 66 5.165 -7.948 7.098 1.00 0.00 H new ATOM 0 HA THR A 66 3.306 -10.142 6.621 1.00 0.00 H new ATOM 0 HB THR A 66 3.556 -10.573 8.928 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.693 -7.947 9.024 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.998 -10.765 9.274 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.493 -11.281 7.648 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.260 -9.691 7.879 1.00 0.00 H new ATOM 740 N GLU A 67 2.286 -7.228 7.554 1.00 0.00 N ATOM 741 CA GLU A 67 1.070 -6.477 7.875 1.00 0.00 C ATOM 742 C GLU A 67 0.796 -5.331 6.895 1.00 0.00 C ATOM 743 O GLU A 67 -0.353 -5.105 6.522 1.00 0.00 O ATOM 744 CB GLU A 67 1.114 -5.970 9.329 1.00 0.00 C ATOM 745 CG GLU A 67 1.717 -4.582 9.521 1.00 0.00 C ATOM 746 CD GLU A 67 1.111 -3.847 10.701 1.00 0.00 C ATOM 747 OE1 GLU A 67 -0.112 -3.977 10.917 1.00 0.00 O ATOM 748 OE2 GLU A 67 1.860 -3.140 11.408 1.00 0.00 O ATOM 0 H GLU A 67 3.096 -6.658 7.310 1.00 0.00 H new ATOM 0 HA GLU A 67 0.235 -7.170 7.770 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.098 -5.964 9.724 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.684 -6.681 9.927 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.793 -4.673 9.667 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.567 -3.995 8.615 1.00 0.00 H new ATOM 755 N LEU A 68 1.831 -4.604 6.477 1.00 0.00 N ATOM 756 CA LEU A 68 1.627 -3.493 5.548 1.00 0.00 C ATOM 757 C LEU A 68 1.208 -4.004 4.171 1.00 0.00 C ATOM 758 O LEU A 68 0.016 -4.107 3.883 1.00 0.00 O ATOM 759 CB LEU A 68 2.884 -2.624 5.432 1.00 0.00 C ATOM 760 CG LEU A 68 3.175 -1.719 6.633 1.00 0.00 C ATOM 761 CD1 LEU A 68 4.272 -0.722 6.290 1.00 0.00 C ATOM 762 CD2 LEU A 68 1.914 -0.992 7.079 1.00 0.00 C ATOM 0 H LEU A 68 2.799 -4.758 6.759 1.00 0.00 H new ATOM 0 HA LEU A 68 0.824 -2.875 5.949 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.742 -3.277 5.275 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.792 -2.000 4.543 1.00 0.00 H new ATOM 0 HG LEU A 68 3.517 -2.343 7.458 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.468 -0.086 7.153 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.181 -1.260 6.022 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.954 -0.105 5.449 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.144 -0.355 7.933 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.538 -0.379 6.260 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.155 -1.721 7.364 1.00 0.00 H new ATOM 774 N ILE A 69 2.192 -4.319 3.325 1.00 0.00 N ATOM 775 CA ILE A 69 1.925 -4.817 1.974 1.00 0.00 C ATOM 776 C ILE A 69 0.712 -5.752 1.943 1.00 0.00 C ATOM 777 O ILE A 69 -0.238 -5.513 1.197 1.00 0.00 O ATOM 778 CB ILE A 69 3.171 -5.532 1.390 1.00 0.00 C ATOM 779 CG1 ILE A 69 4.135 -4.498 0.801 1.00 0.00 C ATOM 780 CG2 ILE A 69 2.783 -6.557 0.328 1.00 0.00 C ATOM 781 CD1 ILE A 69 5.517 -4.537 1.410 1.00 0.00 C ATOM 0 H ILE A 69 3.183 -4.238 3.553 1.00 0.00 H new ATOM 0 HA ILE A 69 1.696 -3.952 1.352 1.00 0.00 H new ATOM 0 HB ILE A 69 3.665 -6.067 2.201 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.217 -4.662 -0.274 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.715 -3.502 0.940 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.681 -7.038 -0.059 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.130 -7.310 0.770 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.260 -6.056 -0.487 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.142 -3.777 0.942 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.449 -4.342 2.480 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.959 -5.520 1.247 1.00 0.00 H new ATOM 793 N PRO A 70 0.716 -6.826 2.751 1.00 0.00 N ATOM 794 CA PRO A 70 -0.397 -7.774 2.798 1.00 0.00 C ATOM 795 C PRO A 70 -1.739 -7.071 2.966 1.00 0.00 C ATOM 796 O PRO A 70 -2.744 -7.489 2.394 1.00 0.00 O ATOM 797 CB PRO A 70 -0.095 -8.650 4.023 1.00 0.00 C ATOM 798 CG PRO A 70 1.044 -7.988 4.726 1.00 0.00 C ATOM 799 CD PRO A 70 1.786 -7.206 3.682 1.00 0.00 C ATOM 0 HA PRO A 70 -0.478 -8.344 1.872 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.966 -8.725 4.674 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.167 -9.665 3.723 1.00 0.00 H new ATOM 0 HG2 PRO A 70 0.683 -7.333 5.519 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.695 -8.727 5.194 1.00 0.00 H new ATOM 0 HD2 PRO A 70 2.284 -6.334 4.106 1.00 0.00 H new ATOM 0 HD3 PRO A 70 2.554 -7.806 3.195 1.00 0.00 H new ATOM 807 N ASN A 71 -1.746 -6.000 3.753 1.00 0.00 N ATOM 808 CA ASN A 71 -2.966 -5.238 3.994 1.00 0.00 C ATOM 809 C ASN A 71 -3.209 -4.230 2.876 1.00 0.00 C ATOM 810 O ASN A 71 -4.351 -3.994 2.482 1.00 0.00 O ATOM 811 CB ASN A 71 -2.891 -4.514 5.340 1.00 0.00 C ATOM 812 CG ASN A 71 -3.071 -5.456 6.515 1.00 0.00 C ATOM 813 OD1 ASN A 71 -3.604 -6.556 6.367 1.00 0.00 O ATOM 814 ND2 ASN A 71 -2.626 -5.028 7.691 1.00 0.00 N ATOM 0 H ASN A 71 -0.922 -5.640 4.234 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.799 -5.940 4.016 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.928 -4.011 5.426 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.659 -3.741 5.377 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.720 -5.619 8.517 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.191 -4.109 7.768 1.00 0.00 H new ATOM 821 N CYS A 72 -2.132 -3.640 2.363 1.00 0.00 N ATOM 822 CA CYS A 72 -2.246 -2.665 1.286 1.00 0.00 C ATOM 823 C CYS A 72 -2.828 -3.321 0.044 1.00 0.00 C ATOM 824 O CYS A 72 -3.839 -2.869 -0.494 1.00 0.00 O ATOM 825 CB CYS A 72 -0.883 -2.041 0.960 1.00 0.00 C ATOM 826 SG CYS A 72 0.122 -1.636 2.407 1.00 0.00 S ATOM 0 H CYS A 72 -1.177 -3.820 2.674 1.00 0.00 H new ATOM 0 HA CYS A 72 -2.914 -1.871 1.618 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -0.324 -2.730 0.327 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -1.043 -1.133 0.379 1.00 0.00 H new ATOM 0 HG CYS A 72 -0.213 -2.408 3.398 1.00 0.00 H new ATOM 832 N THR A 73 -2.195 -4.401 -0.400 1.00 0.00 N ATOM 833 CA THR A 73 -2.671 -5.124 -1.569 1.00 0.00 C ATOM 834 C THR A 73 -4.037 -5.734 -1.276 1.00 0.00 C ATOM 835 O THR A 73 -4.949 -5.658 -2.096 1.00 0.00 O ATOM 836 CB THR A 73 -1.669 -6.208 -1.977 1.00 0.00 C ATOM 837 OG1 THR A 73 -1.858 -6.581 -3.330 1.00 0.00 O ATOM 838 CG2 THR A 73 -1.762 -7.462 -1.137 1.00 0.00 C ATOM 0 H THR A 73 -1.357 -4.792 0.030 1.00 0.00 H new ATOM 0 HA THR A 73 -2.768 -4.427 -2.401 1.00 0.00 H new ATOM 0 HB THR A 73 -0.686 -5.763 -1.822 1.00 0.00 H new ATOM 0 HG1 THR A 73 -1.208 -7.273 -3.572 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.024 -8.186 -1.482 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.569 -7.216 -0.093 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.760 -7.889 -1.230 1.00 0.00 H new ATOM 846 N SER A 74 -4.186 -6.314 -0.085 1.00 0.00 N ATOM 847 CA SER A 74 -5.464 -6.895 0.310 1.00 0.00 C ATOM 848 C SER A 74 -6.547 -5.831 0.206 1.00 0.00 C ATOM 849 O SER A 74 -7.703 -6.123 -0.101 1.00 0.00 O ATOM 850 CB SER A 74 -5.397 -7.441 1.738 1.00 0.00 C ATOM 851 OG SER A 74 -4.788 -8.720 1.768 1.00 0.00 O ATOM 0 H SER A 74 -3.447 -6.393 0.613 1.00 0.00 H new ATOM 0 HA SER A 74 -5.698 -7.726 -0.356 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.834 -6.752 2.368 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.403 -7.504 2.154 1.00 0.00 H new ATOM 0 HG SER A 74 -3.814 -8.620 1.723 1.00 0.00 H new ATOM 857 N VAL A 75 -6.142 -4.585 0.442 1.00 0.00 N ATOM 858 CA VAL A 75 -7.042 -3.451 0.354 1.00 0.00 C ATOM 859 C VAL A 75 -7.406 -3.198 -1.111 1.00 0.00 C ATOM 860 O VAL A 75 -8.493 -2.708 -1.417 1.00 0.00 O ATOM 861 CB VAL A 75 -6.393 -2.200 1.007 1.00 0.00 C ATOM 862 CG1 VAL A 75 -6.352 -1.007 0.067 1.00 0.00 C ATOM 863 CG2 VAL A 75 -7.106 -1.837 2.300 1.00 0.00 C ATOM 0 H VAL A 75 -5.185 -4.340 0.698 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.960 -3.668 0.900 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.360 -2.463 1.234 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.889 -0.160 0.574 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.771 -1.262 -0.819 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.367 -0.742 -0.229 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.635 -0.958 2.741 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.153 -1.621 2.090 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.041 -2.672 2.998 1.00 0.00 H new ATOM 873 N ARG A 76 -6.495 -3.573 -2.014 1.00 0.00 N ATOM 874 CA ARG A 76 -6.727 -3.426 -3.446 1.00 0.00 C ATOM 875 C ARG A 76 -7.829 -4.376 -3.880 1.00 0.00 C ATOM 876 O ARG A 76 -8.842 -3.958 -4.436 1.00 0.00 O ATOM 877 CB ARG A 76 -5.455 -3.745 -4.236 1.00 0.00 C ATOM 878 CG ARG A 76 -4.321 -2.758 -4.023 1.00 0.00 C ATOM 879 CD ARG A 76 -3.054 -3.218 -4.727 1.00 0.00 C ATOM 880 NE ARG A 76 -3.290 -3.517 -6.137 1.00 0.00 N ATOM 881 CZ ARG A 76 -2.341 -3.924 -6.978 1.00 0.00 C ATOM 882 NH1 ARG A 76 -1.093 -4.081 -6.555 1.00 0.00 N ATOM 883 NH2 ARG A 76 -2.642 -4.176 -8.244 1.00 0.00 N ATOM 0 H ARG A 76 -5.591 -3.980 -1.774 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.018 -2.395 -3.645 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -5.110 -4.741 -3.959 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.699 -3.776 -5.298 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.613 -1.777 -4.398 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.128 -2.646 -2.956 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.291 -2.444 -4.643 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.664 -4.105 -4.228 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.237 -3.408 -6.499 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.857 -3.890 -5.581 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.370 -4.393 -7.203 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.600 -4.058 -8.574 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.916 -4.488 -8.889 1.00 0.00 H new ATOM 897 N ASP A 77 -7.623 -5.667 -3.610 1.00 0.00 N ATOM 898 CA ASP A 77 -8.602 -6.691 -3.959 1.00 0.00 C ATOM 899 C ASP A 77 -9.995 -6.257 -3.523 1.00 0.00 C ATOM 900 O ASP A 77 -10.985 -6.520 -4.204 1.00 0.00 O ATOM 901 CB ASP A 77 -8.235 -8.025 -3.303 1.00 0.00 C ATOM 902 CG ASP A 77 -7.987 -9.121 -4.321 1.00 0.00 C ATOM 903 OD1 ASP A 77 -7.332 -8.842 -5.346 1.00 0.00 O ATOM 904 OD2 ASP A 77 -8.447 -10.259 -4.091 1.00 0.00 O ATOM 0 H ASP A 77 -6.786 -6.025 -3.151 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.597 -6.822 -5.041 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.343 -7.893 -2.691 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.039 -8.330 -2.633 1.00 0.00 H new ATOM 909 N LYS A 78 -10.054 -5.568 -2.388 1.00 0.00 N ATOM 910 CA LYS A 78 -11.316 -5.070 -1.866 1.00 0.00 C ATOM 911 C LYS A 78 -11.862 -3.994 -2.793 1.00 0.00 C ATOM 912 O LYS A 78 -13.054 -3.962 -3.101 1.00 0.00 O ATOM 913 CB LYS A 78 -11.121 -4.507 -0.454 1.00 0.00 C ATOM 914 CG LYS A 78 -11.295 -5.543 0.645 1.00 0.00 C ATOM 915 CD LYS A 78 -12.183 -5.025 1.766 1.00 0.00 C ATOM 916 CE LYS A 78 -11.361 -4.445 2.905 1.00 0.00 C ATOM 917 NZ LYS A 78 -12.168 -4.283 4.146 1.00 0.00 N ATOM 0 H LYS A 78 -9.241 -5.343 -1.814 1.00 0.00 H new ATOM 0 HA LYS A 78 -12.030 -5.892 -1.813 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.123 -4.075 -0.379 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.832 -3.697 -0.294 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.730 -6.450 0.225 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.319 -5.814 1.048 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -12.855 -4.261 1.375 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.806 -5.836 2.142 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -10.511 -5.096 3.107 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -10.957 -3.478 2.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -11.571 -3.885 4.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -12.965 -3.641 3.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.532 -5.210 4.447 1.00 0.00 H new ATOM 931 N ILE A 79 -10.967 -3.128 -3.252 1.00 0.00 N ATOM 932 CA ILE A 79 -11.329 -2.057 -4.164 1.00 0.00 C ATOM 933 C ILE A 79 -11.648 -2.628 -5.541 1.00 0.00 C ATOM 934 O ILE A 79 -12.665 -2.289 -6.146 1.00 0.00 O ATOM 935 CB ILE A 79 -10.182 -1.032 -4.275 1.00 0.00 C ATOM 936 CG1 ILE A 79 -10.067 -0.234 -2.976 1.00 0.00 C ATOM 937 CG2 ILE A 79 -10.384 -0.104 -5.465 1.00 0.00 C ATOM 938 CD1 ILE A 79 -8.716 0.416 -2.782 1.00 0.00 C ATOM 0 H ILE A 79 -9.978 -3.150 -3.003 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.212 -1.553 -3.772 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.251 -1.575 -4.438 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.837 0.537 -2.964 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.266 -0.896 -2.134 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -9.559 0.607 -5.516 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -10.415 -0.691 -6.383 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.323 0.437 -5.349 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.708 0.965 -1.840 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.942 -0.352 -2.761 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.522 1.104 -3.604 1.00 0.00 H new ATOM 950 N GLU A 80 -10.775 -3.505 -6.022 1.00 0.00 N ATOM 951 CA GLU A 80 -10.965 -4.134 -7.317 1.00 0.00 C ATOM 952 C GLU A 80 -12.194 -5.033 -7.288 1.00 0.00 C ATOM 953 O GLU A 80 -12.890 -5.183 -8.292 1.00 0.00 O ATOM 954 CB GLU A 80 -9.728 -4.946 -7.704 1.00 0.00 C ATOM 955 CG GLU A 80 -8.445 -4.132 -7.714 1.00 0.00 C ATOM 956 CD GLU A 80 -7.232 -4.960 -8.091 1.00 0.00 C ATOM 957 OE1 GLU A 80 -7.355 -5.818 -8.991 1.00 0.00 O ATOM 958 OE2 GLU A 80 -6.160 -4.751 -7.486 1.00 0.00 O ATOM 0 H GLU A 80 -9.929 -3.795 -5.532 1.00 0.00 H new ATOM 0 HA GLU A 80 -11.115 -3.354 -8.063 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.616 -5.777 -7.007 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.882 -5.378 -8.693 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.549 -3.306 -8.417 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.289 -3.694 -6.728 1.00 0.00 H new ATOM 965 N SER A 81 -12.465 -5.620 -6.123 1.00 0.00 N ATOM 966 CA SER A 81 -13.622 -6.490 -5.965 1.00 0.00 C ATOM 967 C SER A 81 -14.900 -5.699 -6.209 1.00 0.00 C ATOM 968 O SER A 81 -15.877 -6.220 -6.747 1.00 0.00 O ATOM 969 CB SER A 81 -13.642 -7.104 -4.563 1.00 0.00 C ATOM 970 OG SER A 81 -14.864 -7.780 -4.320 1.00 0.00 O ATOM 0 H SER A 81 -11.901 -5.508 -5.281 1.00 0.00 H new ATOM 0 HA SER A 81 -13.557 -7.297 -6.695 1.00 0.00 H new ATOM 0 HB2 SER A 81 -12.810 -7.800 -4.455 1.00 0.00 H new ATOM 0 HB3 SER A 81 -13.501 -6.321 -3.818 1.00 0.00 H new ATOM 0 HG SER A 81 -14.851 -8.165 -3.419 1.00 0.00 H new ATOM 976 N ASN A 82 -14.873 -4.430 -5.818 1.00 0.00 N ATOM 977 CA ASN A 82 -16.014 -3.545 -5.998 1.00 0.00 C ATOM 978 C ASN A 82 -16.104 -3.086 -7.452 1.00 0.00 C ATOM 979 O ASN A 82 -15.425 -2.144 -7.859 1.00 0.00 O ATOM 980 CB ASN A 82 -15.881 -2.340 -5.068 1.00 0.00 C ATOM 981 CG ASN A 82 -17.178 -1.578 -4.909 1.00 0.00 C ATOM 982 OD1 ASN A 82 -18.233 -2.161 -4.663 1.00 0.00 O ATOM 983 ND2 ASN A 82 -17.100 -0.263 -5.050 1.00 0.00 N ATOM 0 H ASN A 82 -14.068 -3.991 -5.372 1.00 0.00 H new ATOM 0 HA ASN A 82 -16.927 -4.086 -5.751 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -15.541 -2.678 -4.089 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -15.116 -1.669 -5.457 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -17.938 0.311 -4.955 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -16.202 0.176 -5.254 1.00 0.00 H new ATOM 990 N ILE A 83 -16.933 -3.774 -8.233 1.00 0.00 N ATOM 991 CA ILE A 83 -17.103 -3.460 -9.651 1.00 0.00 C ATOM 992 C ILE A 83 -17.272 -1.963 -9.900 1.00 0.00 C ATOM 993 O ILE A 83 -16.914 -1.463 -10.966 1.00 0.00 O ATOM 994 CB ILE A 83 -18.310 -4.210 -10.250 1.00 0.00 C ATOM 995 CG1 ILE A 83 -18.314 -4.078 -11.775 1.00 0.00 C ATOM 996 CG2 ILE A 83 -19.612 -3.683 -9.664 1.00 0.00 C ATOM 997 CD1 ILE A 83 -17.038 -4.566 -12.427 1.00 0.00 C ATOM 0 H ILE A 83 -17.500 -4.556 -7.907 1.00 0.00 H new ATOM 0 HA ILE A 83 -16.188 -3.789 -10.143 1.00 0.00 H new ATOM 0 HB ILE A 83 -18.223 -5.266 -9.994 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -19.156 -4.640 -12.178 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -18.472 -3.033 -12.041 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -20.452 -4.224 -10.099 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -19.609 -3.826 -8.583 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -19.709 -2.621 -9.890 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -17.111 -4.443 -13.508 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -16.194 -3.988 -12.052 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -16.889 -5.620 -12.192 1.00 0.00 H new ATOM 1009 N LEU A 84 -17.814 -1.249 -8.919 1.00 0.00 N ATOM 1010 CA LEU A 84 -18.017 0.190 -9.055 1.00 0.00 C ATOM 1011 C LEU A 84 -16.712 0.891 -9.424 1.00 0.00 C ATOM 1012 O LEU A 84 -16.722 1.992 -9.973 1.00 0.00 O ATOM 1013 CB LEU A 84 -18.579 0.777 -7.761 1.00 0.00 C ATOM 1014 CG LEU A 84 -20.100 0.697 -7.620 1.00 0.00 C ATOM 1015 CD1 LEU A 84 -20.496 0.619 -6.154 1.00 0.00 C ATOM 1016 CD2 LEU A 84 -20.759 1.893 -8.289 1.00 0.00 C ATOM 0 H LEU A 84 -18.119 -1.639 -8.027 1.00 0.00 H new ATOM 0 HA LEU A 84 -18.736 0.354 -9.857 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -18.124 0.259 -6.917 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -18.278 1.822 -7.693 1.00 0.00 H new ATOM 0 HG LEU A 84 -20.446 -0.209 -8.117 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -21.582 0.563 -6.073 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -20.052 -0.269 -5.704 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -20.139 1.507 -5.633 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -21.841 1.821 -8.180 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -20.407 2.812 -7.820 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -20.501 1.905 -9.348 1.00 0.00 H new ATOM 1028 N ILE A 85 -15.589 0.240 -9.127 1.00 0.00 N ATOM 1029 CA ILE A 85 -14.280 0.798 -9.438 1.00 0.00 C ATOM 1030 C ILE A 85 -14.045 0.817 -10.946 1.00 0.00 C ATOM 1031 O ILE A 85 -13.290 1.643 -11.458 1.00 0.00 O ATOM 1032 CB ILE A 85 -13.153 -0.002 -8.749 1.00 0.00 C ATOM 1033 CG1 ILE A 85 -11.793 0.652 -9.002 1.00 0.00 C ATOM 1034 CG2 ILE A 85 -13.150 -1.445 -9.229 1.00 0.00 C ATOM 1035 CD1 ILE A 85 -11.316 1.513 -7.854 1.00 0.00 C ATOM 0 H ILE A 85 -15.562 -0.673 -8.672 1.00 0.00 H new ATOM 0 HA ILE A 85 -14.263 1.820 -9.060 1.00 0.00 H new ATOM 0 HB ILE A 85 -13.339 0.002 -7.675 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -11.054 -0.126 -9.194 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -11.854 1.262 -9.903 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -12.349 -1.992 -8.732 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -14.107 -1.909 -8.992 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -12.992 -1.469 -10.307 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.346 1.945 -8.102 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -12.035 2.313 -7.676 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -11.223 0.903 -6.956 1.00 0.00 H new ATOM 1047 N HIS A 86 -14.706 -0.094 -11.656 1.00 0.00 N ATOM 1048 CA HIS A 86 -14.573 -0.176 -13.106 1.00 0.00 C ATOM 1049 C HIS A 86 -15.567 0.752 -13.802 1.00 0.00 C ATOM 1050 O HIS A 86 -15.379 1.119 -14.962 1.00 0.00 O ATOM 1051 CB HIS A 86 -14.788 -1.615 -13.576 1.00 0.00 C ATOM 1052 CG HIS A 86 -13.697 -2.552 -13.158 1.00 0.00 C ATOM 1053 ND1 HIS A 86 -12.696 -2.970 -14.010 1.00 0.00 N ATOM 1054 CD2 HIS A 86 -13.451 -3.151 -11.969 1.00 0.00 C ATOM 1055 CE1 HIS A 86 -11.883 -3.787 -13.363 1.00 0.00 C ATOM 1056 NE2 HIS A 86 -12.319 -3.912 -12.124 1.00 0.00 N ATOM 0 H HIS A 86 -15.338 -0.784 -11.250 1.00 0.00 H new ATOM 0 HA HIS A 86 -13.564 0.141 -13.370 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -15.738 -1.978 -13.183 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -14.868 -1.625 -14.663 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -14.036 -3.049 -11.067 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -11.011 -4.270 -13.778 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -11.885 -4.482 -11.398 1.00 0.00 H new ATOM 1065 N GLN A 87 -16.627 1.124 -13.089 1.00 0.00 N ATOM 1066 CA GLN A 87 -17.651 2.004 -13.640 1.00 0.00 C ATOM 1067 C GLN A 87 -17.282 3.470 -13.430 1.00 0.00 C ATOM 1068 O GLN A 87 -17.374 4.283 -14.349 1.00 0.00 O ATOM 1069 CB GLN A 87 -19.010 1.687 -12.998 1.00 0.00 C ATOM 1070 CG GLN A 87 -19.495 2.721 -11.989 1.00 0.00 C ATOM 1071 CD GLN A 87 -20.867 2.393 -11.433 1.00 0.00 C ATOM 1072 OE1 GLN A 87 -21.751 3.249 -11.386 1.00 0.00 O ATOM 1073 NE2 GLN A 87 -21.052 1.148 -11.009 1.00 0.00 N ATOM 0 H GLN A 87 -16.798 0.829 -12.128 1.00 0.00 H new ATOM 0 HA GLN A 87 -17.719 1.831 -14.714 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -19.756 1.592 -13.787 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -18.945 0.718 -12.502 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -18.780 2.786 -11.169 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -19.524 3.701 -12.464 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -20.291 0.471 -11.067 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -21.955 0.869 -10.626 1.00 0.00 H new ATOM 1082 N ASN A 88 -16.872 3.797 -12.211 1.00 0.00 N ATOM 1083 CA ASN A 88 -16.495 5.165 -11.872 1.00 0.00 C ATOM 1084 C ASN A 88 -15.085 5.479 -12.360 1.00 0.00 C ATOM 1085 O ASN A 88 -14.099 5.062 -11.753 1.00 0.00 O ATOM 1086 CB ASN A 88 -16.587 5.382 -10.358 1.00 0.00 C ATOM 1087 CG ASN A 88 -17.748 6.278 -9.973 1.00 0.00 C ATOM 1088 OD1 ASN A 88 -18.066 7.238 -10.675 1.00 0.00 O ATOM 1089 ND2 ASN A 88 -18.388 5.968 -8.851 1.00 0.00 N ATOM 0 H ASN A 88 -16.792 3.134 -11.440 1.00 0.00 H new ATOM 0 HA ASN A 88 -17.189 5.841 -12.371 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -16.695 4.418 -9.861 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -15.657 5.823 -9.999 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -19.177 6.535 -8.541 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -18.090 5.163 -8.300 1.00 0.00 H new ATOM 1096 N GLY A 89 -15.000 6.221 -13.461 1.00 0.00 N ATOM 1097 CA GLY A 89 -13.709 6.583 -14.016 1.00 0.00 C ATOM 1098 C GLY A 89 -12.834 7.315 -13.018 1.00 0.00 C ATOM 1099 O GLY A 89 -11.639 7.039 -12.910 1.00 0.00 O ATOM 0 H GLY A 89 -15.803 6.578 -13.978 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -13.196 5.682 -14.352 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.858 7.212 -14.894 1.00 0.00 H new ATOM 1103 N LYS A 90 -13.430 8.248 -12.282 1.00 0.00 N ATOM 1104 CA LYS A 90 -12.696 9.019 -11.285 1.00 0.00 C ATOM 1105 C LYS A 90 -12.067 8.096 -10.248 1.00 0.00 C ATOM 1106 O LYS A 90 -10.844 8.002 -10.147 1.00 0.00 O ATOM 1107 CB LYS A 90 -13.623 10.022 -10.597 1.00 0.00 C ATOM 1108 CG LYS A 90 -13.869 11.281 -11.413 1.00 0.00 C ATOM 1109 CD LYS A 90 -15.243 11.266 -12.065 1.00 0.00 C ATOM 1110 CE LYS A 90 -16.213 12.189 -11.346 1.00 0.00 C ATOM 1111 NZ LYS A 90 -16.204 11.967 -9.874 1.00 0.00 N ATOM 0 H LYS A 90 -14.418 8.488 -12.357 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.902 9.564 -11.794 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -14.579 9.539 -10.392 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -13.193 10.301 -9.635 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -13.781 12.156 -10.769 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.102 11.373 -12.182 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -15.155 11.571 -13.108 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -15.637 10.250 -12.062 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -15.952 13.226 -11.558 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -17.220 12.028 -11.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -17.115 12.267 -9.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -16.054 10.957 -9.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -15.437 12.522 -9.444 1.00 0.00 H new ATOM 1125 N LEU A 91 -12.911 7.413 -9.480 1.00 0.00 N ATOM 1126 CA LEU A 91 -12.435 6.496 -8.453 1.00 0.00 C ATOM 1127 C LEU A 91 -11.506 5.446 -9.046 1.00 0.00 C ATOM 1128 O LEU A 91 -10.493 5.089 -8.445 1.00 0.00 O ATOM 1129 CB LEU A 91 -13.612 5.814 -7.765 1.00 0.00 C ATOM 1130 CG LEU A 91 -14.150 6.551 -6.544 1.00 0.00 C ATOM 1131 CD1 LEU A 91 -15.382 5.844 -6.005 1.00 0.00 C ATOM 1132 CD2 LEU A 91 -13.074 6.659 -5.471 1.00 0.00 C ATOM 0 H LEU A 91 -13.926 7.478 -9.550 1.00 0.00 H new ATOM 0 HA LEU A 91 -11.877 7.076 -7.718 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -14.420 5.698 -8.487 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -13.308 4.812 -7.463 1.00 0.00 H new ATOM 0 HG LEU A 91 -14.435 7.560 -6.841 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -15.757 6.380 -5.133 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -16.153 5.819 -6.775 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -15.121 4.825 -5.720 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -13.474 7.188 -4.606 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -12.758 5.660 -5.171 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -12.219 7.207 -5.867 1.00 0.00 H new ATOM 1144 N SER A 92 -11.856 4.957 -10.232 1.00 0.00 N ATOM 1145 CA SER A 92 -11.047 3.949 -10.913 1.00 0.00 C ATOM 1146 C SER A 92 -9.579 4.350 -10.892 1.00 0.00 C ATOM 1147 O SER A 92 -8.698 3.526 -10.647 1.00 0.00 O ATOM 1148 CB SER A 92 -11.520 3.772 -12.357 1.00 0.00 C ATOM 1149 OG SER A 92 -10.824 2.716 -12.996 1.00 0.00 O ATOM 0 H SER A 92 -12.693 5.241 -10.741 1.00 0.00 H new ATOM 0 HA SER A 92 -11.162 3.001 -10.388 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.590 3.566 -12.370 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.367 4.699 -12.909 1.00 0.00 H new ATOM 0 HG SER A 92 -11.276 1.867 -12.810 1.00 0.00 H new ATOM 1155 N ALA A 93 -9.332 5.632 -11.134 1.00 0.00 N ATOM 1156 CA ALA A 93 -7.978 6.167 -11.130 1.00 0.00 C ATOM 1157 C ALA A 93 -7.456 6.287 -9.703 1.00 0.00 C ATOM 1158 O ALA A 93 -6.258 6.154 -9.453 1.00 0.00 O ATOM 1159 CB ALA A 93 -7.945 7.520 -11.823 1.00 0.00 C ATOM 0 H ALA A 93 -10.056 6.322 -11.336 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.331 5.480 -11.676 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.927 7.909 -11.813 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.281 7.409 -12.854 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -8.603 8.213 -11.299 1.00 0.00 H new ATOM 1165 N ASP A 94 -8.371 6.537 -8.769 1.00 0.00 N ATOM 1166 CA ASP A 94 -8.019 6.674 -7.358 1.00 0.00 C ATOM 1167 C ASP A 94 -7.108 5.535 -6.908 1.00 0.00 C ATOM 1168 O ASP A 94 -5.923 5.739 -6.651 1.00 0.00 O ATOM 1169 CB ASP A 94 -9.283 6.698 -6.497 1.00 0.00 C ATOM 1170 CG ASP A 94 -9.247 7.791 -5.447 1.00 0.00 C ATOM 1171 OD1 ASP A 94 -8.457 7.666 -4.488 1.00 0.00 O ATOM 1172 OD2 ASP A 94 -10.009 8.771 -5.584 1.00 0.00 O ATOM 0 H ASP A 94 -9.366 6.649 -8.965 1.00 0.00 H new ATOM 0 HA ASP A 94 -7.482 7.615 -7.234 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -10.153 6.842 -7.138 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -9.404 5.732 -6.008 1.00 0.00 H new ATOM 1177 N PHE A 95 -7.676 4.338 -6.820 1.00 0.00 N ATOM 1178 CA PHE A 95 -6.928 3.159 -6.402 1.00 0.00 C ATOM 1179 C PHE A 95 -5.771 2.874 -7.359 1.00 0.00 C ATOM 1180 O PHE A 95 -4.676 2.508 -6.931 1.00 0.00 O ATOM 1181 CB PHE A 95 -7.873 1.955 -6.318 1.00 0.00 C ATOM 1182 CG PHE A 95 -7.327 0.690 -6.922 1.00 0.00 C ATOM 1183 CD1 PHE A 95 -7.468 0.448 -8.278 1.00 0.00 C ATOM 1184 CD2 PHE A 95 -6.673 -0.251 -6.140 1.00 0.00 C ATOM 1185 CE1 PHE A 95 -6.970 -0.708 -8.846 1.00 0.00 C ATOM 1186 CE2 PHE A 95 -6.174 -1.408 -6.704 1.00 0.00 C ATOM 1187 CZ PHE A 95 -6.322 -1.638 -8.057 1.00 0.00 C ATOM 0 H PHE A 95 -8.657 4.158 -7.034 1.00 0.00 H new ATOM 0 HA PHE A 95 -6.500 3.346 -5.417 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.112 1.769 -5.271 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.808 2.207 -6.818 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.974 1.172 -8.899 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.553 -0.077 -5.081 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.087 -0.884 -9.905 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.667 -2.134 -6.086 1.00 0.00 H new ATOM 0 HZ PHE A 95 -5.932 -2.543 -8.498 1.00 0.00 H new ATOM 1197 N LYS A 96 -6.021 3.039 -8.657 1.00 0.00 N ATOM 1198 CA LYS A 96 -4.999 2.793 -9.671 1.00 0.00 C ATOM 1199 C LYS A 96 -3.706 3.522 -9.329 1.00 0.00 C ATOM 1200 O LYS A 96 -2.616 2.966 -9.453 1.00 0.00 O ATOM 1201 CB LYS A 96 -5.496 3.239 -11.045 1.00 0.00 C ATOM 1202 CG LYS A 96 -6.339 2.196 -11.757 1.00 0.00 C ATOM 1203 CD LYS A 96 -7.089 2.800 -12.930 1.00 0.00 C ATOM 1204 CE LYS A 96 -7.971 1.771 -13.620 1.00 0.00 C ATOM 1205 NZ LYS A 96 -8.601 2.315 -14.855 1.00 0.00 N ATOM 0 H LYS A 96 -6.921 3.341 -9.030 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.798 1.722 -9.693 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.082 4.151 -10.931 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -4.638 3.487 -11.669 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -5.699 1.387 -12.109 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.049 1.758 -11.055 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -7.703 3.631 -12.581 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -6.377 3.209 -13.647 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -7.375 0.894 -13.873 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -8.749 1.440 -12.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.641 1.571 -15.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -9.565 2.640 -14.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -8.037 3.114 -15.209 1.00 0.00 H new ATOM 1219 N ASN A 97 -3.841 4.767 -8.894 1.00 0.00 N ATOM 1220 CA ASN A 97 -2.685 5.578 -8.526 1.00 0.00 C ATOM 1221 C ASN A 97 -2.036 5.040 -7.258 1.00 0.00 C ATOM 1222 O ASN A 97 -0.813 5.062 -7.114 1.00 0.00 O ATOM 1223 CB ASN A 97 -3.102 7.036 -8.320 1.00 0.00 C ATOM 1224 CG ASN A 97 -2.133 8.011 -8.958 1.00 0.00 C ATOM 1225 OD1 ASN A 97 -0.935 7.989 -8.676 1.00 0.00 O ATOM 1226 ND2 ASN A 97 -2.648 8.876 -9.824 1.00 0.00 N ATOM 0 H ASN A 97 -4.739 5.239 -8.787 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.960 5.528 -9.338 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.096 7.189 -8.740 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.171 7.244 -7.252 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -2.044 9.557 -10.285 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.647 8.859 -10.029 1.00 0.00 H new ATOM 1233 N LEU A 98 -2.865 4.553 -6.341 1.00 0.00 N ATOM 1234 CA LEU A 98 -2.377 4.005 -5.084 1.00 0.00 C ATOM 1235 C LEU A 98 -1.651 2.689 -5.320 1.00 0.00 C ATOM 1236 O LEU A 98 -0.475 2.549 -4.987 1.00 0.00 O ATOM 1237 CB LEU A 98 -3.538 3.801 -4.111 1.00 0.00 C ATOM 1238 CG LEU A 98 -4.474 5.000 -3.972 1.00 0.00 C ATOM 1239 CD1 LEU A 98 -5.813 4.576 -3.393 1.00 0.00 C ATOM 1240 CD2 LEU A 98 -3.835 6.076 -3.111 1.00 0.00 C ATOM 0 H LEU A 98 -3.879 4.527 -6.446 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.673 4.714 -4.648 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.120 2.939 -4.437 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.132 3.558 -3.129 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.650 5.412 -4.965 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.463 5.447 -3.303 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.278 3.842 -4.051 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.660 4.134 -2.408 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.515 6.923 -3.022 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.627 5.673 -2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.904 6.405 -3.572 1.00 0.00 H new ATOM 1252 N LYS A 99 -2.351 1.726 -5.907 1.00 0.00 N ATOM 1253 CA LYS A 99 -1.752 0.429 -6.195 1.00 0.00 C ATOM 1254 C LYS A 99 -0.528 0.605 -7.081 1.00 0.00 C ATOM 1255 O LYS A 99 0.438 -0.150 -6.984 1.00 0.00 O ATOM 1256 CB LYS A 99 -2.762 -0.500 -6.874 1.00 0.00 C ATOM 1257 CG LYS A 99 -3.357 0.074 -8.151 1.00 0.00 C ATOM 1258 CD LYS A 99 -3.335 -0.941 -9.283 1.00 0.00 C ATOM 1259 CE LYS A 99 -3.700 -0.300 -10.613 1.00 0.00 C ATOM 1260 NZ LYS A 99 -3.157 -1.068 -11.767 1.00 0.00 N ATOM 0 H LYS A 99 -3.326 1.817 -6.191 1.00 0.00 H new ATOM 0 HA LYS A 99 -1.449 -0.025 -5.252 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.274 -1.447 -7.105 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -3.568 -0.719 -6.174 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.383 0.390 -7.965 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.798 0.962 -8.447 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -2.343 -1.388 -9.353 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.034 -1.748 -9.063 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.785 -0.234 -10.699 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -3.316 0.720 -10.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.428 -0.599 -12.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -2.120 -1.109 -11.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -3.543 -2.033 -11.754 1.00 0.00 H new ATOM 1274 N THR A 100 -0.573 1.622 -7.934 1.00 0.00 N ATOM 1275 CA THR A 100 0.533 1.919 -8.829 1.00 0.00 C ATOM 1276 C THR A 100 1.705 2.487 -8.038 1.00 0.00 C ATOM 1277 O THR A 100 2.818 1.965 -8.096 1.00 0.00 O ATOM 1278 CB THR A 100 0.085 2.912 -9.907 1.00 0.00 C ATOM 1279 OG1 THR A 100 -0.707 2.263 -10.886 1.00 0.00 O ATOM 1280 CG2 THR A 100 1.232 3.591 -10.624 1.00 0.00 C ATOM 0 H THR A 100 -1.368 2.255 -8.023 1.00 0.00 H new ATOM 0 HA THR A 100 0.854 0.998 -9.316 1.00 0.00 H new ATOM 0 HB THR A 100 -0.484 3.673 -9.373 1.00 0.00 H new ATOM 0 HG1 THR A 100 -1.646 2.517 -10.768 1.00 0.00 H new ATOM 0 HG21 THR A 100 0.837 4.279 -11.372 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.835 4.145 -9.904 1.00 0.00 H new ATOM 0 HG23 THR A 100 1.851 2.839 -11.113 1.00 0.00 H new ATOM 1288 N LYS A 101 1.444 3.557 -7.293 1.00 0.00 N ATOM 1289 CA LYS A 101 2.478 4.184 -6.487 1.00 0.00 C ATOM 1290 C LYS A 101 2.988 3.205 -5.437 1.00 0.00 C ATOM 1291 O LYS A 101 4.165 3.216 -5.084 1.00 0.00 O ATOM 1292 CB LYS A 101 1.946 5.465 -5.828 1.00 0.00 C ATOM 1293 CG LYS A 101 1.221 5.237 -4.510 1.00 0.00 C ATOM 1294 CD LYS A 101 2.173 5.326 -3.329 1.00 0.00 C ATOM 1295 CE LYS A 101 2.298 6.752 -2.819 1.00 0.00 C ATOM 1296 NZ LYS A 101 3.397 7.491 -3.499 1.00 0.00 N ATOM 0 H LYS A 101 0.529 4.004 -7.233 1.00 0.00 H new ATOM 0 HA LYS A 101 3.310 4.460 -7.135 1.00 0.00 H new ATOM 0 HB2 LYS A 101 2.780 6.145 -5.657 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.267 5.961 -6.521 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.429 5.977 -4.397 1.00 0.00 H new ATOM 0 HG3 LYS A 101 0.743 4.257 -4.521 1.00 0.00 H new ATOM 0 HD2 LYS A 101 1.818 4.681 -2.525 1.00 0.00 H new ATOM 0 HD3 LYS A 101 3.155 4.957 -3.624 1.00 0.00 H new ATOM 0 HE2 LYS A 101 1.356 7.277 -2.976 1.00 0.00 H new ATOM 0 HE3 LYS A 101 2.480 6.738 -1.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.723 8.268 -2.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.188 6.842 -3.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.049 7.880 -4.399 1.00 0.00 H new ATOM 1310 N TYR A 102 2.091 2.348 -4.954 1.00 0.00 N ATOM 1311 CA TYR A 102 2.445 1.349 -3.952 1.00 0.00 C ATOM 1312 C TYR A 102 3.466 0.366 -4.520 1.00 0.00 C ATOM 1313 O TYR A 102 4.394 -0.050 -3.826 1.00 0.00 O ATOM 1314 CB TYR A 102 1.182 0.617 -3.474 1.00 0.00 C ATOM 1315 CG TYR A 102 1.426 -0.771 -2.915 1.00 0.00 C ATOM 1316 CD1 TYR A 102 2.218 -0.967 -1.788 1.00 0.00 C ATOM 1317 CD2 TYR A 102 0.857 -1.884 -3.518 1.00 0.00 C ATOM 1318 CE1 TYR A 102 2.434 -2.237 -1.281 1.00 0.00 C ATOM 1319 CE2 TYR A 102 1.067 -3.154 -3.017 1.00 0.00 C ATOM 1320 CZ TYR A 102 1.856 -3.324 -1.900 1.00 0.00 C ATOM 1321 OH TYR A 102 2.068 -4.586 -1.401 1.00 0.00 O ATOM 0 H TYR A 102 1.113 2.327 -5.242 1.00 0.00 H new ATOM 0 HA TYR A 102 2.899 1.848 -3.096 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.696 1.222 -2.708 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.485 0.540 -4.309 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.671 -0.116 -1.302 1.00 0.00 H new ATOM 0 HD2 TYR A 102 0.239 -1.755 -4.394 1.00 0.00 H new ATOM 0 HE1 TYR A 102 3.052 -2.375 -0.406 1.00 0.00 H new ATOM 0 HE2 TYR A 102 0.615 -4.009 -3.498 1.00 0.00 H new ATOM 0 HH TYR A 102 2.033 -5.237 -2.133 1.00 0.00 H new ATOM 1331 N GLN A 103 3.295 0.005 -5.789 1.00 0.00 N ATOM 1332 CA GLN A 103 4.210 -0.921 -6.448 1.00 0.00 C ATOM 1333 C GLN A 103 5.625 -0.358 -6.453 1.00 0.00 C ATOM 1334 O GLN A 103 6.598 -1.085 -6.255 1.00 0.00 O ATOM 1335 CB GLN A 103 3.755 -1.195 -7.883 1.00 0.00 C ATOM 1336 CG GLN A 103 2.460 -1.984 -7.977 1.00 0.00 C ATOM 1337 CD GLN A 103 2.560 -3.161 -8.927 1.00 0.00 C ATOM 1338 OE1 GLN A 103 2.744 -4.302 -8.504 1.00 0.00 O ATOM 1339 NE2 GLN A 103 2.439 -2.887 -10.221 1.00 0.00 N ATOM 0 H GLN A 103 2.533 0.339 -6.380 1.00 0.00 H new ATOM 0 HA GLN A 103 4.205 -1.858 -5.892 1.00 0.00 H new ATOM 0 HB2 GLN A 103 3.629 -0.245 -8.402 1.00 0.00 H new ATOM 0 HB3 GLN A 103 4.541 -1.741 -8.405 1.00 0.00 H new ATOM 0 HG2 GLN A 103 2.186 -2.345 -6.986 1.00 0.00 H new ATOM 0 HG3 GLN A 103 1.659 -1.322 -8.308 1.00 0.00 H new ATOM 0 HE21 GLN A 103 2.287 -1.926 -10.527 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.498 -3.638 -10.909 1.00 0.00 H new ATOM 1348 N SER A 104 5.732 0.946 -6.673 1.00 0.00 N ATOM 1349 CA SER A 104 7.026 1.612 -6.691 1.00 0.00 C ATOM 1350 C SER A 104 7.685 1.520 -5.324 1.00 0.00 C ATOM 1351 O SER A 104 8.903 1.376 -5.214 1.00 0.00 O ATOM 1352 CB SER A 104 6.857 3.078 -7.073 1.00 0.00 C ATOM 1353 OG SER A 104 6.175 3.213 -8.308 1.00 0.00 O ATOM 0 H SER A 104 4.937 1.563 -6.841 1.00 0.00 H new ATOM 0 HA SER A 104 7.658 1.117 -7.428 1.00 0.00 H new ATOM 0 HB2 SER A 104 6.304 3.598 -6.291 1.00 0.00 H new ATOM 0 HB3 SER A 104 7.836 3.553 -7.142 1.00 0.00 H new ATOM 0 HG SER A 104 6.079 4.163 -8.527 1.00 0.00 H new ATOM 1359 N LEU A 105 6.866 1.611 -4.284 1.00 0.00 N ATOM 1360 CA LEU A 105 7.355 1.545 -2.919 1.00 0.00 C ATOM 1361 C LEU A 105 7.943 0.178 -2.620 1.00 0.00 C ATOM 1362 O LEU A 105 9.087 0.069 -2.183 1.00 0.00 O ATOM 1363 CB LEU A 105 6.218 1.843 -1.943 1.00 0.00 C ATOM 1364 CG LEU A 105 5.439 3.125 -2.225 1.00 0.00 C ATOM 1365 CD1 LEU A 105 4.177 3.183 -1.376 1.00 0.00 C ATOM 1366 CD2 LEU A 105 6.314 4.342 -1.979 1.00 0.00 C ATOM 0 H LEU A 105 5.856 1.731 -4.364 1.00 0.00 H new ATOM 0 HA LEU A 105 8.140 2.292 -2.801 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.522 1.004 -1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.631 1.902 -0.936 1.00 0.00 H new ATOM 0 HG LEU A 105 5.141 3.126 -3.273 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.636 4.104 -1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.543 2.327 -1.607 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.447 3.159 -0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 105 5.744 5.248 -2.185 1.00 0.00 H new ATOM 0 HD22 LEU A 105 6.644 4.349 -0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.183 4.304 -2.635 1.00 0.00 H new ATOM 1378 N GLN A 106 7.159 -0.865 -2.860 1.00 0.00 N ATOM 1379 CA GLN A 106 7.625 -2.227 -2.607 1.00 0.00 C ATOM 1380 C GLN A 106 8.919 -2.489 -3.368 1.00 0.00 C ATOM 1381 O GLN A 106 9.851 -3.101 -2.847 1.00 0.00 O ATOM 1382 CB GLN A 106 6.575 -3.279 -3.003 1.00 0.00 C ATOM 1383 CG GLN A 106 5.396 -2.744 -3.803 1.00 0.00 C ATOM 1384 CD GLN A 106 4.642 -3.843 -4.525 1.00 0.00 C ATOM 1385 OE1 GLN A 106 4.742 -3.985 -5.744 1.00 0.00 O ATOM 1386 NE2 GLN A 106 3.882 -4.630 -3.774 1.00 0.00 N ATOM 0 H GLN A 106 6.209 -0.799 -3.225 1.00 0.00 H new ATOM 0 HA GLN A 106 7.801 -2.315 -1.535 1.00 0.00 H new ATOM 0 HB2 GLN A 106 7.066 -4.058 -3.586 1.00 0.00 H new ATOM 0 HB3 GLN A 106 6.195 -3.750 -2.096 1.00 0.00 H new ATOM 0 HG2 GLN A 106 4.715 -2.219 -3.134 1.00 0.00 H new ATOM 0 HG3 GLN A 106 5.754 -2.015 -4.530 1.00 0.00 H new ATOM 0 HE21 GLN A 106 3.828 -4.477 -2.767 1.00 0.00 H new ATOM 0 HE22 GLN A 106 3.352 -5.388 -4.204 1.00 0.00 H new ATOM 1395 N GLN A 107 8.959 -2.015 -4.605 1.00 0.00 N ATOM 1396 CA GLN A 107 10.124 -2.182 -5.462 1.00 0.00 C ATOM 1397 C GLN A 107 11.300 -1.353 -4.955 1.00 0.00 C ATOM 1398 O GLN A 107 12.400 -1.870 -4.759 1.00 0.00 O ATOM 1399 CB GLN A 107 9.752 -1.792 -6.902 1.00 0.00 C ATOM 1400 CG GLN A 107 10.420 -0.526 -7.425 1.00 0.00 C ATOM 1401 CD GLN A 107 10.215 -0.333 -8.915 1.00 0.00 C ATOM 1402 OE1 GLN A 107 9.241 0.285 -9.344 1.00 0.00 O ATOM 1403 NE2 GLN A 107 11.135 -0.863 -9.712 1.00 0.00 N ATOM 0 H GLN A 107 8.190 -1.507 -5.041 1.00 0.00 H new ATOM 0 HA GLN A 107 10.435 -3.227 -5.444 1.00 0.00 H new ATOM 0 HB2 GLN A 107 10.010 -2.619 -7.563 1.00 0.00 H new ATOM 0 HB3 GLN A 107 8.671 -1.663 -6.959 1.00 0.00 H new ATOM 0 HG2 GLN A 107 10.022 0.337 -6.892 1.00 0.00 H new ATOM 0 HG3 GLN A 107 11.488 -0.568 -7.211 1.00 0.00 H new ATOM 0 HE21 GLN A 107 11.926 -1.367 -9.313 1.00 0.00 H new ATOM 0 HE22 GLN A 107 11.050 -0.766 -10.724 1.00 0.00 H new ATOM 1412 N SER A 108 11.059 -0.064 -4.755 1.00 0.00 N ATOM 1413 CA SER A 108 12.100 0.844 -4.280 1.00 0.00 C ATOM 1414 C SER A 108 12.667 0.377 -2.942 1.00 0.00 C ATOM 1415 O SER A 108 13.858 0.533 -2.668 1.00 0.00 O ATOM 1416 CB SER A 108 11.543 2.262 -4.142 1.00 0.00 C ATOM 1417 OG SER A 108 11.609 2.959 -5.374 1.00 0.00 O ATOM 0 H SER A 108 10.154 0.378 -4.913 1.00 0.00 H new ATOM 0 HA SER A 108 12.906 0.845 -5.013 1.00 0.00 H new ATOM 0 HB2 SER A 108 10.509 2.218 -3.801 1.00 0.00 H new ATOM 0 HB3 SER A 108 12.106 2.805 -3.383 1.00 0.00 H new ATOM 0 HG SER A 108 11.245 3.862 -5.259 1.00 0.00 H new ATOM 1423 N TYR A 109 11.801 -0.190 -2.114 1.00 0.00 N ATOM 1424 CA TYR A 109 12.200 -0.675 -0.800 1.00 0.00 C ATOM 1425 C TYR A 109 12.787 -2.079 -0.885 1.00 0.00 C ATOM 1426 O TYR A 109 13.822 -2.362 -0.282 1.00 0.00 O ATOM 1427 CB TYR A 109 10.991 -0.630 0.143 1.00 0.00 C ATOM 1428 CG TYR A 109 10.713 -1.898 0.924 1.00 0.00 C ATOM 1429 CD1 TYR A 109 11.689 -2.483 1.716 1.00 0.00 C ATOM 1430 CD2 TYR A 109 9.462 -2.494 0.877 1.00 0.00 C ATOM 1431 CE1 TYR A 109 11.429 -3.628 2.439 1.00 0.00 C ATOM 1432 CE2 TYR A 109 9.190 -3.638 1.595 1.00 0.00 C ATOM 1433 CZ TYR A 109 10.177 -4.203 2.377 1.00 0.00 C ATOM 1434 OH TYR A 109 9.911 -5.345 3.097 1.00 0.00 O ATOM 0 H TYR A 109 10.813 -0.326 -2.330 1.00 0.00 H new ATOM 0 HA TYR A 109 12.983 -0.029 -0.403 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.138 0.185 0.852 1.00 0.00 H new ATOM 0 HB3 TYR A 109 10.106 -0.387 -0.444 1.00 0.00 H new ATOM 0 HD1 TYR A 109 12.670 -2.034 1.768 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.687 -2.054 0.267 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.201 -4.072 3.050 1.00 0.00 H new ATOM 0 HE2 TYR A 109 8.210 -4.090 1.546 1.00 0.00 H new ATOM 0 HH TYR A 109 10.196 -5.220 4.026 1.00 0.00 H new ATOM 1444 N ASN A 110 12.125 -2.957 -1.629 1.00 0.00 N ATOM 1445 CA ASN A 110 12.598 -4.328 -1.773 1.00 0.00 C ATOM 1446 C ASN A 110 14.071 -4.341 -2.162 1.00 0.00 C ATOM 1447 O ASN A 110 14.858 -5.133 -1.642 1.00 0.00 O ATOM 1448 CB ASN A 110 11.770 -5.080 -2.817 1.00 0.00 C ATOM 1449 CG ASN A 110 10.511 -5.686 -2.228 1.00 0.00 C ATOM 1450 OD1 ASN A 110 10.491 -6.103 -1.070 1.00 0.00 O ATOM 1451 ND2 ASN A 110 9.450 -5.739 -3.026 1.00 0.00 N ATOM 0 H ASN A 110 11.266 -2.747 -2.138 1.00 0.00 H new ATOM 0 HA ASN A 110 12.482 -4.832 -0.813 1.00 0.00 H new ATOM 0 HB2 ASN A 110 11.499 -4.397 -3.623 1.00 0.00 H new ATOM 0 HB3 ASN A 110 12.378 -5.870 -3.259 1.00 0.00 H new ATOM 0 HD21 ASN A 110 8.575 -6.137 -2.685 1.00 0.00 H new ATOM 0 HD22 ASN A 110 9.511 -5.382 -3.979 1.00 0.00 H new ATOM 1458 N GLN A 111 14.444 -3.444 -3.064 1.00 0.00 N ATOM 1459 CA GLN A 111 15.831 -3.351 -3.491 1.00 0.00 C ATOM 1460 C GLN A 111 16.694 -2.889 -2.330 1.00 0.00 C ATOM 1461 O GLN A 111 17.632 -3.575 -1.927 1.00 0.00 O ATOM 1462 CB GLN A 111 15.989 -2.387 -4.671 1.00 0.00 C ATOM 1463 CG GLN A 111 15.323 -1.035 -4.478 1.00 0.00 C ATOM 1464 CD GLN A 111 15.070 -0.322 -5.791 1.00 0.00 C ATOM 1465 OE1 GLN A 111 14.011 -0.474 -6.401 1.00 0.00 O ATOM 1466 NE2 GLN A 111 16.047 0.460 -6.236 1.00 0.00 N ATOM 0 H GLN A 111 13.813 -2.778 -3.509 1.00 0.00 H new ATOM 0 HA GLN A 111 16.152 -4.340 -3.818 1.00 0.00 H new ATOM 0 HB2 GLN A 111 17.052 -2.231 -4.855 1.00 0.00 H new ATOM 0 HB3 GLN A 111 15.576 -2.856 -5.564 1.00 0.00 H new ATOM 0 HG2 GLN A 111 14.377 -1.171 -3.953 1.00 0.00 H new ATOM 0 HG3 GLN A 111 15.952 -0.410 -3.844 1.00 0.00 H new ATOM 0 HE21 GLN A 111 16.908 0.557 -5.698 1.00 0.00 H new ATOM 0 HE22 GLN A 111 15.936 0.964 -7.116 1.00 0.00 H new ATOM 1475 N ARG A 112 16.354 -1.725 -1.787 1.00 0.00 N ATOM 1476 CA ARG A 112 17.077 -1.152 -0.659 1.00 0.00 C ATOM 1477 C ARG A 112 17.276 -2.187 0.441 1.00 0.00 C ATOM 1478 O ARG A 112 18.344 -2.267 1.048 1.00 0.00 O ATOM 1479 CB ARG A 112 16.314 0.051 -0.104 1.00 0.00 C ATOM 1480 CG ARG A 112 16.844 1.388 -0.593 1.00 0.00 C ATOM 1481 CD ARG A 112 16.921 2.404 0.536 1.00 0.00 C ATOM 1482 NE ARG A 112 16.403 3.709 0.133 1.00 0.00 N ATOM 1483 CZ ARG A 112 16.671 4.843 0.777 1.00 0.00 C ATOM 1484 NH1 ARG A 112 17.448 4.837 1.852 1.00 0.00 N ATOM 1485 NH2 ARG A 112 16.160 5.987 0.343 1.00 0.00 N ATOM 0 H ARG A 112 15.574 -1.155 -2.115 1.00 0.00 H new ATOM 0 HA ARG A 112 18.056 -0.828 -1.011 1.00 0.00 H new ATOM 0 HB2 ARG A 112 15.263 -0.037 -0.381 1.00 0.00 H new ATOM 0 HB3 ARG A 112 16.359 0.028 0.985 1.00 0.00 H new ATOM 0 HG2 ARG A 112 17.834 1.251 -1.029 1.00 0.00 H new ATOM 0 HG3 ARG A 112 16.198 1.769 -1.384 1.00 0.00 H new ATOM 0 HD2 ARG A 112 16.355 2.038 1.393 1.00 0.00 H new ATOM 0 HD3 ARG A 112 17.957 2.509 0.859 1.00 0.00 H new ATOM 0 HE ARG A 112 15.801 3.754 -0.689 1.00 0.00 H new ATOM 0 HH11 ARG A 112 17.844 3.960 2.190 1.00 0.00 H new ATOM 0 HH12 ARG A 112 17.649 5.709 2.341 1.00 0.00 H new ATOM 0 HH21 ARG A 112 15.562 5.998 -0.483 1.00 0.00 H new ATOM 0 HH22 ARG A 112 16.365 6.856 0.836 1.00 0.00 H new ATOM 1499 N LYS A 113 16.238 -2.978 0.692 1.00 0.00 N ATOM 1500 CA LYS A 113 16.302 -4.008 1.720 1.00 0.00 C ATOM 1501 C LYS A 113 17.356 -5.056 1.365 1.00 0.00 C ATOM 1502 O LYS A 113 17.940 -5.687 2.245 1.00 0.00 O ATOM 1503 CB LYS A 113 14.919 -4.651 1.929 1.00 0.00 C ATOM 1504 CG LYS A 113 14.605 -5.828 1.012 1.00 0.00 C ATOM 1505 CD LYS A 113 13.937 -6.961 1.774 1.00 0.00 C ATOM 1506 CE LYS A 113 12.458 -6.684 2.002 1.00 0.00 C ATOM 1507 NZ LYS A 113 11.607 -7.836 1.591 1.00 0.00 N ATOM 0 H LYS A 113 15.346 -2.925 0.199 1.00 0.00 H new ATOM 0 HA LYS A 113 16.598 -3.543 2.660 1.00 0.00 H new ATOM 0 HB2 LYS A 113 14.845 -4.987 2.963 1.00 0.00 H new ATOM 0 HB3 LYS A 113 14.155 -3.886 1.787 1.00 0.00 H new ATOM 0 HG2 LYS A 113 13.953 -5.497 0.203 1.00 0.00 H new ATOM 0 HG3 LYS A 113 15.525 -6.189 0.553 1.00 0.00 H new ATOM 0 HD2 LYS A 113 14.053 -7.892 1.219 1.00 0.00 H new ATOM 0 HD3 LYS A 113 14.435 -7.098 2.734 1.00 0.00 H new ATOM 0 HE2 LYS A 113 12.288 -6.465 3.056 1.00 0.00 H new ATOM 0 HE3 LYS A 113 12.164 -5.797 1.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 10.686 -7.486 1.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 12.076 -8.358 0.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 11.464 -8.469 2.404 1.00 0.00 H new ATOM 1521 N SER A 114 17.596 -5.226 0.068 1.00 0.00 N ATOM 1522 CA SER A 114 18.584 -6.187 -0.409 1.00 0.00 C ATOM 1523 C SER A 114 19.987 -5.583 -0.385 1.00 0.00 C ATOM 1524 O SER A 114 20.981 -6.303 -0.291 1.00 0.00 O ATOM 1525 CB SER A 114 18.237 -6.643 -1.827 1.00 0.00 C ATOM 1526 OG SER A 114 18.670 -7.973 -2.055 1.00 0.00 O ATOM 0 H SER A 114 17.119 -4.710 -0.671 1.00 0.00 H new ATOM 0 HA SER A 114 18.568 -7.049 0.257 1.00 0.00 H new ATOM 0 HB2 SER A 114 17.160 -6.576 -1.980 1.00 0.00 H new ATOM 0 HB3 SER A 114 18.704 -5.976 -2.552 1.00 0.00 H new ATOM 0 HG SER A 114 18.435 -8.242 -2.968 1.00 0.00 H new