USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=24 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= -0.539 USER MOD Set 1.2: A 113 LYS NZ :NH3+ 147:sc= 0.657 (180deg=0) USER MOD Set 2.1: A 102 TYR OH : rot -155:sc= -5.12! USER MOD Set 2.2: A 106 GLN : amide:sc= -2.24 X(o=-7.4,f=-7.5!) USER MOD Set 3.1: A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 100 THR OG1 : rot 100:sc= 0.787 USER MOD Set 4.1: A 92 SER OG : rot -58:sc= 0.856 USER MOD Set 4.2: A 96 LYS NZ :NH3+ 179:sc= -1.18 (180deg=-1.19) USER MOD Single : A 27 THR OG1 : rot -160:sc= -4.76! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.359 K(o=-0.36,f=-3.2!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -106:sc= -0.672 (180deg=-2.68!) USER MOD Single : A 48 CYS SG : rot -53:sc= -9.62! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -136:sc= 0.403 (180deg=0.0147) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -141:sc= -4.06! (180deg=-5.07!) USER MOD Single : A 66 THR OG1 : rot -43:sc= 0.98 USER MOD Single : A 71 ASN : amide:sc= -0.475 K(o=-0.48,f=-1.3) USER MOD Single : A 72 CYS SG : rot 26:sc= -2.53! USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 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= -4.66! K(o=-4.7!,f=-2.4) USER MOD Single : A 86 HIS : no HD1:sc= -1.81! K(o=-1.8!,f=-0.69) USER MOD Single : A 87 GLN : amide:sc= -6.37! C(o=-6.4!,f=-4.9!) USER MOD Single : A 88 ASN : amide:sc= -0.0703 X(o=-0.07,f=-0.55) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0.027) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 110 ASN : amide:sc= -1.3 K(o=-1.3,f=-2.4!) USER MOD Single : A 111 GLN : amide:sc= -1.59 K(o=-1.6,f=-2.4!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 70 N THR A 27 -20.530 2.374 -3.531 1.00 0.00 N ATOM 71 CA THR A 27 -19.335 2.984 -4.080 1.00 0.00 C ATOM 72 C THR A 27 -18.599 3.747 -2.981 1.00 0.00 C ATOM 73 O THR A 27 -17.373 3.851 -2.994 1.00 0.00 O ATOM 74 CB THR A 27 -19.707 3.904 -5.250 1.00 0.00 C ATOM 75 OG1 THR A 27 -19.364 3.304 -6.485 1.00 0.00 O ATOM 76 CG2 THR A 27 -19.037 5.258 -5.202 1.00 0.00 C ATOM 0 HA THR A 27 -18.669 2.211 -4.463 1.00 0.00 H new ATOM 0 HB THR A 27 -20.783 4.052 -5.159 1.00 0.00 H new ATOM 0 HG1 THR A 27 -19.305 3.994 -7.179 1.00 0.00 H new ATOM 0 HG21 THR A 27 -19.350 5.850 -6.062 1.00 0.00 H new ATOM 0 HG22 THR A 27 -19.322 5.773 -4.284 1.00 0.00 H new ATOM 0 HG23 THR A 27 -17.955 5.129 -5.225 1.00 0.00 H new ATOM 84 N LYS A 28 -19.362 4.264 -2.020 1.00 0.00 N ATOM 85 CA LYS A 28 -18.785 4.996 -0.903 1.00 0.00 C ATOM 86 C LYS A 28 -17.887 4.072 -0.092 1.00 0.00 C ATOM 87 O LYS A 28 -16.832 4.479 0.395 1.00 0.00 O ATOM 88 CB LYS A 28 -19.889 5.571 -0.014 1.00 0.00 C ATOM 89 CG LYS A 28 -19.377 6.527 1.052 1.00 0.00 C ATOM 90 CD LYS A 28 -19.773 7.964 0.752 1.00 0.00 C ATOM 91 CE LYS A 28 -21.025 8.370 1.514 1.00 0.00 C ATOM 92 NZ LYS A 28 -20.740 9.417 2.534 1.00 0.00 N ATOM 0 H LYS A 28 -20.379 4.188 -1.995 1.00 0.00 H new ATOM 0 HA LYS A 28 -18.190 5.822 -1.292 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -20.613 6.092 -0.640 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -20.418 4.750 0.470 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -19.774 6.235 2.024 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -18.291 6.454 1.116 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -18.953 8.631 1.017 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -19.944 8.079 -0.318 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -21.773 8.741 0.813 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -21.453 7.494 2.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -21.619 9.666 3.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -20.046 9.055 3.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -20.356 10.262 2.066 1.00 0.00 H new ATOM 106 N GLU A 29 -18.308 2.815 0.031 1.00 0.00 N ATOM 107 CA GLU A 29 -17.536 1.822 0.763 1.00 0.00 C ATOM 108 C GLU A 29 -16.187 1.614 0.090 1.00 0.00 C ATOM 109 O GLU A 29 -15.165 1.453 0.756 1.00 0.00 O ATOM 110 CB GLU A 29 -18.299 0.497 0.831 1.00 0.00 C ATOM 111 CG GLU A 29 -19.163 0.356 2.074 1.00 0.00 C ATOM 112 CD GLU A 29 -19.707 -1.048 2.248 1.00 0.00 C ATOM 113 OE1 GLU A 29 -20.109 -1.660 1.236 1.00 0.00 O ATOM 114 OE2 GLU A 29 -19.731 -1.537 3.398 1.00 0.00 O ATOM 0 H GLU A 29 -19.179 2.463 -0.367 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.375 2.183 1.779 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -18.930 0.405 -0.053 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -17.585 -0.326 0.800 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -18.577 0.626 2.952 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -19.994 1.059 2.017 1.00 0.00 H new ATOM 121 N LEU A 30 -16.193 1.634 -1.241 1.00 0.00 N ATOM 122 CA LEU A 30 -14.969 1.463 -2.014 1.00 0.00 C ATOM 123 C LEU A 30 -13.956 2.536 -1.633 1.00 0.00 C ATOM 124 O LEU A 30 -12.817 2.232 -1.279 1.00 0.00 O ATOM 125 CB LEU A 30 -15.281 1.516 -3.514 1.00 0.00 C ATOM 126 CG LEU A 30 -14.154 2.028 -4.416 1.00 0.00 C ATOM 127 CD1 LEU A 30 -12.985 1.055 -4.408 1.00 0.00 C ATOM 128 CD2 LEU A 30 -14.664 2.246 -5.833 1.00 0.00 C ATOM 0 H LEU A 30 -17.033 1.767 -1.805 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.538 0.488 -1.788 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.556 0.514 -3.843 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -16.154 2.151 -3.661 1.00 0.00 H new ATOM 0 HG LEU A 30 -13.806 2.985 -4.028 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.192 1.433 -5.054 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -12.606 0.950 -3.391 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.318 0.083 -4.773 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.850 2.610 -6.461 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -15.038 1.304 -6.234 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -15.469 2.981 -5.821 1.00 0.00 H new ATOM 140 N SER A 31 -14.387 3.793 -1.685 1.00 0.00 N ATOM 141 CA SER A 31 -13.522 4.908 -1.320 1.00 0.00 C ATOM 142 C SER A 31 -12.965 4.694 0.084 1.00 0.00 C ATOM 143 O SER A 31 -11.901 5.206 0.426 1.00 0.00 O ATOM 144 CB SER A 31 -14.292 6.228 -1.386 1.00 0.00 C ATOM 145 OG SER A 31 -13.413 7.337 -1.306 1.00 0.00 O ATOM 0 H SER A 31 -15.327 4.063 -1.975 1.00 0.00 H new ATOM 0 HA SER A 31 -12.695 4.956 -2.028 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.859 6.276 -2.316 1.00 0.00 H new ATOM 0 HB3 SER A 31 -15.014 6.273 -0.570 1.00 0.00 H new ATOM 0 HG SER A 31 -13.930 8.168 -1.352 1.00 0.00 H new ATOM 151 N ASN A 32 -13.687 3.913 0.890 1.00 0.00 N ATOM 152 CA ASN A 32 -13.254 3.609 2.245 1.00 0.00 C ATOM 153 C ASN A 32 -12.037 2.697 2.193 1.00 0.00 C ATOM 154 O ASN A 32 -11.108 2.830 2.990 1.00 0.00 O ATOM 155 CB ASN A 32 -14.385 2.943 3.034 1.00 0.00 C ATOM 156 CG ASN A 32 -14.672 3.649 4.345 1.00 0.00 C ATOM 157 OD1 ASN A 32 -13.997 4.613 4.705 1.00 0.00 O ATOM 158 ND2 ASN A 32 -15.678 3.169 5.067 1.00 0.00 N ATOM 0 H ASN A 32 -14.572 3.482 0.623 1.00 0.00 H new ATOM 0 HA ASN A 32 -12.988 4.537 2.751 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -15.290 2.931 2.426 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -14.121 1.904 3.234 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -15.918 3.602 5.959 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -16.211 2.367 4.730 1.00 0.00 H new ATOM 165 N LEU A 33 -12.041 1.787 1.223 1.00 0.00 N ATOM 166 CA LEU A 33 -10.928 0.869 1.033 1.00 0.00 C ATOM 167 C LEU A 33 -9.771 1.621 0.396 1.00 0.00 C ATOM 168 O LEU A 33 -8.614 1.459 0.780 1.00 0.00 O ATOM 169 CB LEU A 33 -11.339 -0.312 0.147 1.00 0.00 C ATOM 170 CG LEU A 33 -12.795 -0.765 0.288 1.00 0.00 C ATOM 171 CD1 LEU A 33 -13.213 -1.589 -0.918 1.00 0.00 C ATOM 172 CD2 LEU A 33 -12.987 -1.556 1.573 1.00 0.00 C ATOM 0 H LEU A 33 -12.804 1.668 0.557 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.624 0.472 2.002 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.159 -0.043 -0.894 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.690 -1.158 0.374 1.00 0.00 H new ATOM 0 HG LEU A 33 -13.429 0.120 0.335 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -14.250 -1.903 -0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -13.115 -0.987 -1.822 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.574 -2.469 -0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -14.028 -1.869 1.655 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.343 -2.436 1.558 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.728 -0.931 2.427 1.00 0.00 H new ATOM 184 N ILE A 34 -10.109 2.471 -0.567 1.00 0.00 N ATOM 185 CA ILE A 34 -9.120 3.287 -1.252 1.00 0.00 C ATOM 186 C ILE A 34 -8.520 4.290 -0.274 1.00 0.00 C ATOM 187 O ILE A 34 -7.306 4.487 -0.235 1.00 0.00 O ATOM 188 CB ILE A 34 -9.755 4.037 -2.445 1.00 0.00 C ATOM 189 CG1 ILE A 34 -10.022 3.070 -3.597 1.00 0.00 C ATOM 190 CG2 ILE A 34 -8.874 5.188 -2.912 1.00 0.00 C ATOM 191 CD1 ILE A 34 -10.888 3.657 -4.688 1.00 0.00 C ATOM 0 H ILE A 34 -11.066 2.611 -0.890 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.337 2.633 -1.635 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.702 4.459 -2.109 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.070 2.759 -4.027 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.503 2.174 -3.205 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -9.351 5.693 -3.752 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.735 5.895 -2.094 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.904 4.800 -3.225 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -11.036 2.916 -5.473 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -11.854 3.943 -4.272 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -10.399 4.536 -5.107 1.00 0.00 H new ATOM 203 N GLU A 35 -9.384 4.914 0.522 1.00 0.00 N ATOM 204 CA GLU A 35 -8.945 5.889 1.511 1.00 0.00 C ATOM 205 C GLU A 35 -7.895 5.271 2.422 1.00 0.00 C ATOM 206 O GLU A 35 -6.959 5.943 2.859 1.00 0.00 O ATOM 207 CB GLU A 35 -10.133 6.384 2.338 1.00 0.00 C ATOM 208 CG GLU A 35 -10.808 7.616 1.757 1.00 0.00 C ATOM 209 CD GLU A 35 -9.876 8.809 1.679 1.00 0.00 C ATOM 210 OE1 GLU A 35 -9.185 8.957 0.649 1.00 0.00 O ATOM 211 OE2 GLU A 35 -9.837 9.596 2.648 1.00 0.00 O ATOM 0 H GLU A 35 -10.392 4.760 0.500 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.506 6.740 0.990 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.867 5.582 2.420 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -9.793 6.609 3.349 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.181 7.385 0.759 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.673 7.874 2.368 1.00 0.00 H new ATOM 218 N THR A 36 -8.043 3.976 2.683 1.00 0.00 N ATOM 219 CA THR A 36 -7.093 3.260 3.516 1.00 0.00 C ATOM 220 C THR A 36 -5.856 2.939 2.691 1.00 0.00 C ATOM 221 O THR A 36 -4.729 3.044 3.171 1.00 0.00 O ATOM 222 CB THR A 36 -7.731 1.983 4.087 1.00 0.00 C ATOM 223 OG1 THR A 36 -7.476 1.879 5.476 1.00 0.00 O ATOM 224 CG2 THR A 36 -7.244 0.703 3.439 1.00 0.00 C ATOM 0 H THR A 36 -8.811 3.405 2.329 1.00 0.00 H new ATOM 0 HA THR A 36 -6.802 3.883 4.362 1.00 0.00 H new ATOM 0 HB THR A 36 -8.795 2.085 3.876 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.890 1.062 5.824 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.743 -0.150 3.899 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.472 0.725 2.373 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.167 0.612 3.578 1.00 0.00 H new ATOM 232 N PHE A 37 -6.081 2.573 1.432 1.00 0.00 N ATOM 233 CA PHE A 37 -4.990 2.265 0.524 1.00 0.00 C ATOM 234 C PHE A 37 -4.118 3.496 0.348 1.00 0.00 C ATOM 235 O PHE A 37 -2.892 3.410 0.347 1.00 0.00 O ATOM 236 CB PHE A 37 -5.530 1.807 -0.832 1.00 0.00 C ATOM 237 CG PHE A 37 -4.543 1.021 -1.655 1.00 0.00 C ATOM 238 CD1 PHE A 37 -3.508 0.304 -1.061 1.00 0.00 C ATOM 239 CD2 PHE A 37 -4.649 1.009 -3.035 1.00 0.00 C ATOM 240 CE1 PHE A 37 -2.608 -0.405 -1.833 1.00 0.00 C ATOM 241 CE2 PHE A 37 -3.750 0.303 -3.808 1.00 0.00 C ATOM 242 CZ PHE A 37 -2.728 -0.404 -3.207 1.00 0.00 C ATOM 0 H PHE A 37 -7.010 2.484 1.021 1.00 0.00 H new ATOM 0 HA PHE A 37 -4.396 1.455 0.947 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.418 1.197 -0.670 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.844 2.683 -1.400 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.408 0.302 0.014 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.446 1.559 -3.513 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.811 -0.960 -1.361 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -3.846 0.304 -4.884 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.023 -0.956 -3.812 1.00 0.00 H new ATOM 252 N ALA A 38 -4.767 4.651 0.222 1.00 0.00 N ATOM 253 CA ALA A 38 -4.055 5.911 0.076 1.00 0.00 C ATOM 254 C ALA A 38 -3.157 6.134 1.283 1.00 0.00 C ATOM 255 O ALA A 38 -2.036 6.624 1.158 1.00 0.00 O ATOM 256 CB ALA A 38 -5.035 7.063 -0.086 1.00 0.00 C ATOM 0 H ALA A 38 -5.783 4.737 0.218 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.437 5.868 -0.821 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.484 7.997 -0.194 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.647 6.898 -0.973 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.678 7.120 0.793 1.00 0.00 H new ATOM 262 N GLU A 39 -3.655 5.739 2.454 1.00 0.00 N ATOM 263 CA GLU A 39 -2.895 5.864 3.687 1.00 0.00 C ATOM 264 C GLU A 39 -1.812 4.791 3.715 1.00 0.00 C ATOM 265 O GLU A 39 -0.656 5.062 4.043 1.00 0.00 O ATOM 266 CB GLU A 39 -3.831 5.744 4.902 1.00 0.00 C ATOM 267 CG GLU A 39 -3.288 4.892 6.042 1.00 0.00 C ATOM 268 CD GLU A 39 -3.940 5.214 7.372 1.00 0.00 C ATOM 269 OE1 GLU A 39 -4.010 6.411 7.724 1.00 0.00 O ATOM 270 OE2 GLU A 39 -4.379 4.271 8.062 1.00 0.00 O ATOM 0 H GLU A 39 -4.582 5.330 2.570 1.00 0.00 H new ATOM 0 HA GLU A 39 -2.420 6.844 3.732 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -4.041 6.744 5.282 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.780 5.323 4.572 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.445 3.839 5.810 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.212 5.043 6.123 1.00 0.00 H new ATOM 277 N GLN A 40 -2.198 3.573 3.343 1.00 0.00 N ATOM 278 CA GLN A 40 -1.270 2.456 3.296 1.00 0.00 C ATOM 279 C GLN A 40 -0.158 2.752 2.298 1.00 0.00 C ATOM 280 O GLN A 40 1.001 2.395 2.514 1.00 0.00 O ATOM 281 CB GLN A 40 -2.004 1.174 2.896 1.00 0.00 C ATOM 282 CG GLN A 40 -3.076 0.747 3.886 1.00 0.00 C ATOM 283 CD GLN A 40 -2.520 -0.082 5.024 1.00 0.00 C ATOM 284 OE1 GLN A 40 -1.311 -0.107 5.258 1.00 0.00 O ATOM 285 NE2 GLN A 40 -3.401 -0.769 5.739 1.00 0.00 N ATOM 0 H GLN A 40 -3.152 3.338 3.069 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.835 2.316 4.286 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.463 1.319 1.918 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.278 0.368 2.791 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.564 1.633 4.292 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.841 0.173 3.363 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.394 -0.719 5.510 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.086 -1.347 6.518 1.00 0.00 H new ATOM 294 N SER A 41 -0.522 3.425 1.207 1.00 0.00 N ATOM 295 CA SER A 41 0.438 3.794 0.176 1.00 0.00 C ATOM 296 C SER A 41 1.525 4.671 0.777 1.00 0.00 C ATOM 297 O SER A 41 2.714 4.376 0.658 1.00 0.00 O ATOM 298 CB SER A 41 -0.262 4.528 -0.970 1.00 0.00 C ATOM 299 OG SER A 41 -0.485 3.663 -2.070 1.00 0.00 O ATOM 0 H SER A 41 -1.478 3.725 1.017 1.00 0.00 H new ATOM 0 HA SER A 41 0.892 2.887 -0.224 1.00 0.00 H new ATOM 0 HB2 SER A 41 -1.213 4.930 -0.621 1.00 0.00 H new ATOM 0 HB3 SER A 41 0.345 5.376 -1.287 1.00 0.00 H new ATOM 0 HG SER A 41 -0.935 4.156 -2.788 1.00 0.00 H new ATOM 305 N ARG A 42 1.106 5.736 1.453 1.00 0.00 N ATOM 306 CA ARG A 42 2.050 6.634 2.104 1.00 0.00 C ATOM 307 C ARG A 42 2.788 5.871 3.193 1.00 0.00 C ATOM 308 O ARG A 42 3.950 6.142 3.483 1.00 0.00 O ATOM 309 CB ARG A 42 1.342 7.852 2.712 1.00 0.00 C ATOM 310 CG ARG A 42 0.066 8.256 1.990 1.00 0.00 C ATOM 311 CD ARG A 42 -0.095 9.767 1.944 1.00 0.00 C ATOM 312 NE ARG A 42 0.934 10.403 1.125 1.00 0.00 N ATOM 313 CZ ARG A 42 0.979 11.710 0.875 1.00 0.00 C ATOM 314 NH1 ARG A 42 0.056 12.521 1.378 1.00 0.00 N ATOM 315 NH2 ARG A 42 1.949 12.208 0.120 1.00 0.00 N ATOM 0 H ARG A 42 0.126 5.996 1.563 1.00 0.00 H new ATOM 0 HA ARG A 42 2.753 6.999 1.355 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.104 7.637 3.754 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.031 8.697 2.710 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.080 7.860 0.975 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.794 7.813 2.493 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.079 10.015 1.546 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.051 10.167 2.957 1.00 0.00 H new ATOM 0 HE ARG A 42 1.660 9.811 0.721 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.692 12.144 1.959 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.095 13.521 1.183 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.661 11.590 -0.269 1.00 0.00 H new ATOM 0 HH22 ARG A 42 1.983 13.209 -0.071 1.00 0.00 H new ATOM 329 N VAL A 43 2.100 4.897 3.780 1.00 0.00 N ATOM 330 CA VAL A 43 2.686 4.073 4.821 1.00 0.00 C ATOM 331 C VAL A 43 3.825 3.245 4.245 1.00 0.00 C ATOM 332 O VAL A 43 4.937 3.253 4.767 1.00 0.00 O ATOM 333 CB VAL A 43 1.630 3.146 5.460 1.00 0.00 C ATOM 334 CG1 VAL A 43 2.258 1.867 5.990 1.00 0.00 C ATOM 335 CG2 VAL A 43 0.899 3.873 6.571 1.00 0.00 C ATOM 0 H VAL A 43 1.135 4.662 3.549 1.00 0.00 H new ATOM 0 HA VAL A 43 3.073 4.731 5.599 1.00 0.00 H new ATOM 0 HB VAL A 43 0.916 2.869 4.685 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.485 1.239 6.433 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.737 1.330 5.171 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.003 2.114 6.747 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.157 3.209 7.014 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.612 4.181 7.335 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.401 4.753 6.164 1.00 0.00 H new ATOM 345 N LEU A 44 3.554 2.542 3.151 1.00 0.00 N ATOM 346 CA LEU A 44 4.581 1.736 2.514 1.00 0.00 C ATOM 347 C LEU A 44 5.807 2.600 2.263 1.00 0.00 C ATOM 348 O LEU A 44 6.916 2.240 2.638 1.00 0.00 O ATOM 349 CB LEU A 44 4.063 1.130 1.199 1.00 0.00 C ATOM 350 CG LEU A 44 4.295 -0.381 0.998 1.00 0.00 C ATOM 351 CD1 LEU A 44 5.560 -0.634 0.191 1.00 0.00 C ATOM 352 CD2 LEU A 44 4.361 -1.124 2.327 1.00 0.00 C ATOM 0 H LEU A 44 2.643 2.515 2.694 1.00 0.00 H new ATOM 0 HA LEU A 44 4.850 0.910 3.173 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.992 1.322 1.134 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.533 1.660 0.371 1.00 0.00 H new ATOM 0 HG LEU A 44 3.441 -0.766 0.441 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.701 -1.707 0.063 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.469 -0.161 -0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.417 -0.215 0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.525 -2.186 2.143 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.182 -0.728 2.925 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.423 -0.990 2.866 1.00 0.00 H new ATOM 364 N GLU A 45 5.594 3.765 1.661 1.00 0.00 N ATOM 365 CA GLU A 45 6.691 4.684 1.398 1.00 0.00 C ATOM 366 C GLU A 45 7.303 5.161 2.715 1.00 0.00 C ATOM 367 O GLU A 45 8.493 5.470 2.781 1.00 0.00 O ATOM 368 CB GLU A 45 6.210 5.868 0.541 1.00 0.00 C ATOM 369 CG GLU A 45 5.932 7.148 1.316 1.00 0.00 C ATOM 370 CD GLU A 45 5.574 8.310 0.411 1.00 0.00 C ATOM 371 OE1 GLU A 45 6.029 8.320 -0.752 1.00 0.00 O ATOM 372 OE2 GLU A 45 4.838 9.212 0.866 1.00 0.00 O ATOM 0 H GLU A 45 4.680 4.092 1.349 1.00 0.00 H new ATOM 0 HA GLU A 45 7.464 4.162 0.835 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.963 6.077 -0.219 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.301 5.573 0.017 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.116 6.974 2.018 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.810 7.409 1.907 1.00 0.00 H new ATOM 379 N LYS A 46 6.484 5.205 3.766 1.00 0.00 N ATOM 380 CA LYS A 46 6.954 5.628 5.082 1.00 0.00 C ATOM 381 C LYS A 46 7.847 4.551 5.688 1.00 0.00 C ATOM 382 O LYS A 46 8.975 4.822 6.098 1.00 0.00 O ATOM 383 CB LYS A 46 5.767 5.957 6.006 1.00 0.00 C ATOM 384 CG LYS A 46 5.449 4.898 7.061 1.00 0.00 C ATOM 385 CD LYS A 46 4.306 5.328 7.963 1.00 0.00 C ATOM 386 CE LYS A 46 3.900 4.211 8.912 1.00 0.00 C ATOM 387 NZ LYS A 46 2.586 4.478 9.560 1.00 0.00 N ATOM 0 H LYS A 46 5.496 4.954 3.731 1.00 0.00 H new ATOM 0 HA LYS A 46 7.544 6.538 4.970 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.972 6.900 6.512 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.881 6.111 5.391 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.191 3.960 6.569 1.00 0.00 H new ATOM 0 HG3 LYS A 46 6.337 4.708 7.664 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.603 6.206 8.537 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.450 5.620 7.355 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.849 3.270 8.364 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.665 4.092 9.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 2.737 4.748 10.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 2.103 5.252 9.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.999 3.621 9.520 1.00 0.00 H new ATOM 401 N GLU A 47 7.344 3.323 5.722 1.00 0.00 N ATOM 402 CA GLU A 47 8.112 2.210 6.254 1.00 0.00 C ATOM 403 C GLU A 47 9.264 1.884 5.316 1.00 0.00 C ATOM 404 O GLU A 47 10.342 1.485 5.753 1.00 0.00 O ATOM 405 CB GLU A 47 7.221 0.981 6.435 1.00 0.00 C ATOM 406 CG GLU A 47 6.284 1.066 7.629 1.00 0.00 C ATOM 407 CD GLU A 47 6.955 1.617 8.874 1.00 0.00 C ATOM 408 OE1 GLU A 47 8.150 1.321 9.084 1.00 0.00 O ATOM 409 OE2 GLU A 47 6.286 2.344 9.638 1.00 0.00 O ATOM 0 H GLU A 47 6.412 3.076 5.389 1.00 0.00 H new ATOM 0 HA GLU A 47 8.511 2.494 7.228 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.629 0.838 5.531 1.00 0.00 H new ATOM 0 HB3 GLU A 47 7.853 0.100 6.544 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.434 1.698 7.372 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.890 0.073 7.845 1.00 0.00 H new ATOM 416 N CYS A 48 9.022 2.068 4.022 1.00 0.00 N ATOM 417 CA CYS A 48 10.030 1.806 3.006 1.00 0.00 C ATOM 418 C CYS A 48 11.164 2.819 3.099 1.00 0.00 C ATOM 419 O CYS A 48 12.326 2.480 2.875 1.00 0.00 O ATOM 420 CB CYS A 48 9.404 1.847 1.611 1.00 0.00 C ATOM 421 SG CYS A 48 8.340 0.433 1.238 1.00 0.00 S ATOM 0 H CYS A 48 8.131 2.399 3.653 1.00 0.00 H new ATOM 0 HA CYS A 48 10.438 0.811 3.180 1.00 0.00 H new ATOM 0 HB2 CYS A 48 8.821 2.763 1.513 1.00 0.00 H new ATOM 0 HB3 CYS A 48 10.200 1.895 0.868 1.00 0.00 H new ATOM 0 HG CYS A 48 8.991 -0.670 1.460 1.00 0.00 H new ATOM 427 N THR A 49 10.828 4.063 3.437 1.00 0.00 N ATOM 428 CA THR A 49 11.843 5.101 3.561 1.00 0.00 C ATOM 429 C THR A 49 12.755 4.805 4.747 1.00 0.00 C ATOM 430 O THR A 49 13.929 5.175 4.750 1.00 0.00 O ATOM 431 CB THR A 49 11.198 6.487 3.702 1.00 0.00 C ATOM 432 OG1 THR A 49 12.156 7.506 3.484 1.00 0.00 O ATOM 433 CG2 THR A 49 10.565 6.740 5.055 1.00 0.00 C ATOM 0 H THR A 49 9.874 4.371 3.627 1.00 0.00 H new ATOM 0 HA THR A 49 12.444 5.105 2.652 1.00 0.00 H new ATOM 0 HB THR A 49 10.409 6.505 2.950 1.00 0.00 H new ATOM 0 HG1 THR A 49 11.728 8.383 3.576 1.00 0.00 H new ATOM 0 HG21 THR A 49 10.132 7.740 5.073 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.782 6.003 5.234 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.324 6.659 5.833 1.00 0.00 H new ATOM 441 N LYS A 50 12.205 4.125 5.750 1.00 0.00 N ATOM 442 CA LYS A 50 12.965 3.766 6.939 1.00 0.00 C ATOM 443 C LYS A 50 13.855 2.554 6.673 1.00 0.00 C ATOM 444 O LYS A 50 14.866 2.358 7.347 1.00 0.00 O ATOM 445 CB LYS A 50 12.015 3.473 8.101 1.00 0.00 C ATOM 446 CG LYS A 50 11.137 4.655 8.474 1.00 0.00 C ATOM 447 CD LYS A 50 9.781 4.204 8.987 1.00 0.00 C ATOM 448 CE LYS A 50 9.098 5.298 9.790 1.00 0.00 C ATOM 449 NZ LYS A 50 7.843 4.817 10.429 1.00 0.00 N ATOM 0 H LYS A 50 11.234 3.812 5.761 1.00 0.00 H new ATOM 0 HA LYS A 50 13.604 4.609 7.202 1.00 0.00 H new ATOM 0 HB2 LYS A 50 11.380 2.627 7.837 1.00 0.00 H new ATOM 0 HB3 LYS A 50 12.599 3.174 8.972 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.635 5.252 9.238 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.002 5.298 7.604 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.149 3.920 8.146 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.903 3.317 9.608 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.779 5.663 10.558 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.873 6.141 9.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.095 5.529 10.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.547 3.924 9.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.008 4.661 11.444 1.00 0.00 H new ATOM 463 N ILE A 51 13.475 1.740 5.686 1.00 0.00 N ATOM 464 CA ILE A 51 14.245 0.550 5.339 1.00 0.00 C ATOM 465 C ILE A 51 15.717 0.884 5.140 1.00 0.00 C ATOM 466 O ILE A 51 16.067 1.785 4.377 1.00 0.00 O ATOM 467 CB ILE A 51 13.698 -0.128 4.065 1.00 0.00 C ATOM 468 CG1 ILE A 51 12.258 -0.592 4.300 1.00 0.00 C ATOM 469 CG2 ILE A 51 14.586 -1.300 3.650 1.00 0.00 C ATOM 470 CD1 ILE A 51 12.146 -1.750 5.264 1.00 0.00 C ATOM 0 H ILE A 51 12.641 1.885 5.116 1.00 0.00 H new ATOM 0 HA ILE A 51 14.146 -0.143 6.175 1.00 0.00 H new ATOM 0 HB ILE A 51 13.704 0.597 3.252 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.673 0.245 4.681 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.818 -0.881 3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 51 14.181 -1.762 2.750 1.00 0.00 H new ATOM 0 HG22 ILE A 51 15.595 -0.939 3.450 1.00 0.00 H new ATOM 0 HG23 ILE A 51 14.617 -2.036 4.454 1.00 0.00 H new ATOM 0 HD11 ILE A 51 11.098 -2.025 5.382 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.703 -2.602 4.875 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.556 -1.459 6.231 1.00 0.00 H new ATOM 606 N LEU A 60 10.181 -4.032 11.343 1.00 0.00 N ATOM 607 CA LEU A 60 9.602 -3.111 10.375 1.00 0.00 C ATOM 608 C LEU A 60 9.325 -3.838 9.063 1.00 0.00 C ATOM 609 O LEU A 60 8.195 -3.843 8.575 1.00 0.00 O ATOM 610 CB LEU A 60 10.542 -1.913 10.156 1.00 0.00 C ATOM 611 CG LEU A 60 10.761 -1.484 8.700 1.00 0.00 C ATOM 612 CD1 LEU A 60 9.439 -1.123 8.040 1.00 0.00 C ATOM 613 CD2 LEU A 60 11.729 -0.311 8.632 1.00 0.00 C ATOM 0 HA LEU A 60 8.656 -2.733 10.762 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.146 -1.061 10.709 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.512 -2.153 10.592 1.00 0.00 H new ATOM 0 HG LEU A 60 11.195 -2.324 8.157 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.618 -0.822 7.008 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.776 -1.988 8.056 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.974 -0.300 8.583 1.00 0.00 H new ATOM 0 HD21 LEU A 60 11.874 -0.019 7.592 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.321 0.530 9.192 1.00 0.00 H new ATOM 0 HD23 LEU A 60 12.686 -0.604 9.063 1.00 0.00 H new ATOM 625 N ARG A 61 10.357 -4.457 8.499 1.00 0.00 N ATOM 626 CA ARG A 61 10.208 -5.190 7.250 1.00 0.00 C ATOM 627 C ARG A 61 9.202 -6.313 7.427 1.00 0.00 C ATOM 628 O ARG A 61 8.358 -6.547 6.562 1.00 0.00 O ATOM 629 CB ARG A 61 11.554 -5.746 6.797 1.00 0.00 C ATOM 630 CG ARG A 61 12.698 -4.779 7.023 1.00 0.00 C ATOM 631 CD ARG A 61 14.008 -5.345 6.529 1.00 0.00 C ATOM 632 NE ARG A 61 14.902 -4.298 6.043 1.00 0.00 N ATOM 633 CZ ARG A 61 16.121 -4.527 5.560 1.00 0.00 C ATOM 634 NH1 ARG A 61 16.595 -5.765 5.497 1.00 0.00 N ATOM 635 NH2 ARG A 61 16.866 -3.516 5.139 1.00 0.00 N ATOM 0 H ARG A 61 11.301 -4.465 8.886 1.00 0.00 H new ATOM 0 HA ARG A 61 9.843 -4.509 6.482 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.757 -6.673 7.333 1.00 0.00 H new ATOM 0 HB3 ARG A 61 11.500 -5.996 5.737 1.00 0.00 H new ATOM 0 HG2 ARG A 61 12.489 -3.841 6.509 1.00 0.00 H new ATOM 0 HG3 ARG A 61 12.777 -4.550 8.086 1.00 0.00 H new ATOM 0 HD2 ARG A 61 14.495 -5.893 7.336 1.00 0.00 H new ATOM 0 HD3 ARG A 61 13.816 -6.060 5.729 1.00 0.00 H new ATOM 0 HE ARG A 61 14.573 -3.333 6.076 1.00 0.00 H new ATOM 0 HH11 ARG A 61 16.024 -6.547 5.820 1.00 0.00 H new ATOM 0 HH12 ARG A 61 17.530 -5.935 5.126 1.00 0.00 H new ATOM 0 HH21 ARG A 61 16.505 -2.563 5.185 1.00 0.00 H new ATOM 0 HH22 ARG A 61 17.800 -3.690 4.769 1.00 0.00 H new ATOM 649 N TYR A 62 9.276 -6.987 8.570 1.00 0.00 N ATOM 650 CA TYR A 62 8.344 -8.061 8.868 1.00 0.00 C ATOM 651 C TYR A 62 6.934 -7.497 8.896 1.00 0.00 C ATOM 652 O TYR A 62 6.031 -8.015 8.249 1.00 0.00 O ATOM 653 CB TYR A 62 8.683 -8.717 10.208 1.00 0.00 C ATOM 654 CG TYR A 62 9.267 -10.103 10.069 1.00 0.00 C ATOM 655 CD1 TYR A 62 8.442 -11.213 9.950 1.00 0.00 C ATOM 656 CD2 TYR A 62 10.642 -10.302 10.054 1.00 0.00 C ATOM 657 CE1 TYR A 62 8.968 -12.483 9.822 1.00 0.00 C ATOM 658 CE2 TYR A 62 11.177 -11.570 9.926 1.00 0.00 C ATOM 659 CZ TYR A 62 10.336 -12.657 9.810 1.00 0.00 C ATOM 660 OH TYR A 62 10.865 -13.921 9.682 1.00 0.00 O ATOM 0 H TYR A 62 9.967 -6.808 9.298 1.00 0.00 H new ATOM 0 HA TYR A 62 8.417 -8.826 8.095 1.00 0.00 H new ATOM 0 HB2 TYR A 62 9.391 -8.085 10.744 1.00 0.00 H new ATOM 0 HB3 TYR A 62 7.780 -8.771 10.816 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.370 -11.081 9.958 1.00 0.00 H new ATOM 0 HD2 TYR A 62 11.303 -9.453 10.144 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.312 -13.336 9.732 1.00 0.00 H new ATOM 0 HE2 TYR A 62 12.248 -11.709 9.917 1.00 0.00 H new ATOM 0 HH TYR A 62 11.844 -13.868 9.691 1.00 0.00 H new ATOM 670 N LYS A 63 6.769 -6.400 9.622 1.00 0.00 N ATOM 671 CA LYS A 63 5.483 -5.729 9.707 1.00 0.00 C ATOM 672 C LYS A 63 5.067 -5.267 8.314 1.00 0.00 C ATOM 673 O LYS A 63 3.895 -5.325 7.945 1.00 0.00 O ATOM 674 CB LYS A 63 5.586 -4.540 10.669 1.00 0.00 C ATOM 675 CG LYS A 63 4.399 -3.591 10.625 1.00 0.00 C ATOM 676 CD LYS A 63 4.830 -2.154 10.868 1.00 0.00 C ATOM 677 CE LYS A 63 5.048 -1.408 9.561 1.00 0.00 C ATOM 678 NZ LYS A 63 4.312 -0.114 9.533 1.00 0.00 N ATOM 0 H LYS A 63 7.513 -5.956 10.161 1.00 0.00 H new ATOM 0 HA LYS A 63 4.727 -6.415 10.090 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.695 -4.919 11.685 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.492 -3.980 10.439 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.907 -3.666 9.655 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.667 -3.885 11.377 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.071 -1.641 11.459 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.750 -2.143 11.452 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.113 -1.223 9.421 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.720 -2.030 8.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.918 0.041 8.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.539 -0.139 10.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.964 0.661 9.768 1.00 0.00 H new ATOM 692 N ILE A 64 6.047 -4.811 7.547 1.00 0.00 N ATOM 693 CA ILE A 64 5.814 -4.341 6.196 1.00 0.00 C ATOM 694 C ILE A 64 5.293 -5.462 5.292 1.00 0.00 C ATOM 695 O ILE A 64 4.266 -5.312 4.631 1.00 0.00 O ATOM 696 CB ILE A 64 7.118 -3.740 5.612 1.00 0.00 C ATOM 697 CG1 ILE A 64 6.991 -2.222 5.508 1.00 0.00 C ATOM 698 CG2 ILE A 64 7.475 -4.347 4.260 1.00 0.00 C ATOM 699 CD1 ILE A 64 8.078 -1.569 4.682 1.00 0.00 C ATOM 0 H ILE A 64 7.021 -4.758 7.845 1.00 0.00 H new ATOM 0 HA ILE A 64 5.048 -3.567 6.236 1.00 0.00 H new ATOM 0 HB ILE A 64 7.932 -3.986 6.294 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.022 -1.978 5.073 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.006 -1.797 6.511 1.00 0.00 H new ATOM 0 HG21 ILE A 64 8.395 -3.895 3.890 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.617 -5.422 4.370 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.668 -4.158 3.552 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.918 -0.491 4.656 1.00 0.00 H new ATOM 0 HD12 ILE A 64 9.050 -1.781 5.127 1.00 0.00 H new ATOM 0 HD13 ILE A 64 8.050 -1.964 3.667 1.00 0.00 H new ATOM 711 N GLU A 65 6.024 -6.572 5.250 1.00 0.00 N ATOM 712 CA GLU A 65 5.653 -7.702 4.401 1.00 0.00 C ATOM 713 C GLU A 65 4.564 -8.572 5.025 1.00 0.00 C ATOM 714 O GLU A 65 3.792 -9.209 4.309 1.00 0.00 O ATOM 715 CB GLU A 65 6.886 -8.557 4.101 1.00 0.00 C ATOM 716 CG GLU A 65 7.878 -7.886 3.165 1.00 0.00 C ATOM 717 CD GLU A 65 8.556 -8.871 2.231 1.00 0.00 C ATOM 718 OE1 GLU A 65 9.160 -9.842 2.731 1.00 0.00 O ATOM 719 OE2 GLU A 65 8.482 -8.669 1.001 1.00 0.00 O ATOM 0 H GLU A 65 6.876 -6.714 5.793 1.00 0.00 H new ATOM 0 HA GLU A 65 5.249 -7.288 3.477 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.388 -8.797 5.038 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.565 -9.501 3.661 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.361 -7.129 2.576 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.635 -7.369 3.754 1.00 0.00 H new ATOM 726 N THR A 66 4.519 -8.629 6.351 1.00 0.00 N ATOM 727 CA THR A 66 3.540 -9.453 7.037 1.00 0.00 C ATOM 728 C THR A 66 2.326 -8.651 7.514 1.00 0.00 C ATOM 729 O THR A 66 1.362 -9.231 8.014 1.00 0.00 O ATOM 730 CB THR A 66 4.198 -10.151 8.226 1.00 0.00 C ATOM 731 OG1 THR A 66 4.285 -9.281 9.340 1.00 0.00 O ATOM 732 CG2 THR A 66 5.592 -10.668 7.930 1.00 0.00 C ATOM 0 H THR A 66 5.148 -8.115 6.968 1.00 0.00 H new ATOM 0 HA THR A 66 3.178 -10.190 6.320 1.00 0.00 H new ATOM 0 HB THR A 66 3.555 -11.004 8.444 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.580 -8.396 9.041 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.997 -11.151 8.819 1.00 0.00 H new ATOM 0 HG22 THR A 66 5.547 -11.389 7.114 1.00 0.00 H new ATOM 0 HG23 THR A 66 6.236 -9.836 7.644 1.00 0.00 H new ATOM 740 N GLU A 67 2.364 -7.324 7.376 1.00 0.00 N ATOM 741 CA GLU A 67 1.241 -6.500 7.822 1.00 0.00 C ATOM 742 C GLU A 67 0.876 -5.406 6.810 1.00 0.00 C ATOM 743 O GLU A 67 -0.298 -5.228 6.489 1.00 0.00 O ATOM 744 CB GLU A 67 1.544 -5.894 9.204 1.00 0.00 C ATOM 745 CG GLU A 67 1.297 -4.394 9.313 1.00 0.00 C ATOM 746 CD GLU A 67 1.294 -3.904 10.748 1.00 0.00 C ATOM 747 OE1 GLU A 67 1.623 -4.704 11.650 1.00 0.00 O ATOM 748 OE2 GLU A 67 0.962 -2.721 10.971 1.00 0.00 O ATOM 0 H GLU A 67 3.143 -6.807 6.968 1.00 0.00 H new ATOM 0 HA GLU A 67 0.370 -7.151 7.902 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.934 -6.403 9.950 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.586 -6.095 9.453 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.066 -3.862 8.753 1.00 0.00 H new ATOM 0 HG3 GLU A 67 0.341 -4.153 8.849 1.00 0.00 H new ATOM 755 N LEU A 68 1.867 -4.662 6.322 1.00 0.00 N ATOM 756 CA LEU A 68 1.597 -3.584 5.370 1.00 0.00 C ATOM 757 C LEU A 68 1.192 -4.129 4.000 1.00 0.00 C ATOM 758 O LEU A 68 0.004 -4.298 3.727 1.00 0.00 O ATOM 759 CB LEU A 68 2.807 -2.656 5.237 1.00 0.00 C ATOM 760 CG LEU A 68 3.083 -1.768 6.453 1.00 0.00 C ATOM 761 CD1 LEU A 68 4.170 -0.753 6.136 1.00 0.00 C ATOM 762 CD2 LEU A 68 1.810 -1.065 6.903 1.00 0.00 C ATOM 0 H LEU A 68 2.850 -4.782 6.565 1.00 0.00 H new ATOM 0 HA LEU A 68 0.758 -3.009 5.762 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.691 -3.263 5.042 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.661 -2.017 4.366 1.00 0.00 H new ATOM 0 HG LEU A 68 3.431 -2.402 7.269 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.353 -0.130 7.012 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.087 -1.275 5.864 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.850 -0.125 5.305 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.027 -0.439 7.768 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.431 -0.444 6.091 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.060 -1.808 7.172 1.00 0.00 H new ATOM 774 N ILE A 69 2.179 -4.388 3.138 1.00 0.00 N ATOM 775 CA ILE A 69 1.922 -4.902 1.790 1.00 0.00 C ATOM 776 C ILE A 69 0.737 -5.874 1.762 1.00 0.00 C ATOM 777 O ILE A 69 -0.211 -5.676 1.002 1.00 0.00 O ATOM 778 CB ILE A 69 3.186 -5.582 1.205 1.00 0.00 C ATOM 779 CG1 ILE A 69 4.137 -4.520 0.646 1.00 0.00 C ATOM 780 CG2 ILE A 69 2.826 -6.593 0.120 1.00 0.00 C ATOM 781 CD1 ILE A 69 5.517 -4.554 1.261 1.00 0.00 C ATOM 0 H ILE A 69 3.167 -4.250 3.351 1.00 0.00 H new ATOM 0 HA ILE A 69 1.663 -4.045 1.168 1.00 0.00 H new ATOM 0 HB ILE A 69 3.682 -6.124 2.010 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.226 -4.656 -0.432 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.701 -3.534 0.808 1.00 0.00 H new ATOM 0 HG21 ILE A 69 3.736 -7.050 -0.268 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.183 -7.366 0.541 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.301 -6.086 -0.690 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.133 -3.773 0.815 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.441 -4.387 2.335 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.974 -5.526 1.077 1.00 0.00 H new ATOM 793 N PRO A 70 0.766 -6.936 2.586 1.00 0.00 N ATOM 794 CA PRO A 70 -0.317 -7.919 2.637 1.00 0.00 C ATOM 795 C PRO A 70 -1.685 -7.261 2.768 1.00 0.00 C ATOM 796 O PRO A 70 -2.671 -7.737 2.208 1.00 0.00 O ATOM 797 CB PRO A 70 -0.006 -8.756 3.888 1.00 0.00 C ATOM 798 CG PRO A 70 1.114 -8.053 4.584 1.00 0.00 C ATOM 799 CD PRO A 70 1.839 -7.267 3.531 1.00 0.00 C ATOM 0 HA PRO A 70 -0.364 -8.510 1.722 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -0.881 -8.832 4.534 1.00 0.00 H new ATOM 0 HB3 PRO A 70 0.280 -9.772 3.617 1.00 0.00 H new ATOM 0 HG2 PRO A 70 0.734 -7.396 5.366 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.782 -8.768 5.065 1.00 0.00 H new ATOM 0 HD2 PRO A 70 2.307 -6.373 3.943 1.00 0.00 H new ATOM 0 HD3 PRO A 70 2.629 -7.852 3.060 1.00 0.00 H new ATOM 807 N ASN A 71 -1.735 -6.164 3.516 1.00 0.00 N ATOM 808 CA ASN A 71 -2.982 -5.438 3.726 1.00 0.00 C ATOM 809 C ASN A 71 -3.216 -4.413 2.620 1.00 0.00 C ATOM 810 O ASN A 71 -4.351 -4.192 2.201 1.00 0.00 O ATOM 811 CB ASN A 71 -2.971 -4.743 5.088 1.00 0.00 C ATOM 812 CG ASN A 71 -3.382 -5.672 6.214 1.00 0.00 C ATOM 813 OD1 ASN A 71 -4.289 -6.491 6.059 1.00 0.00 O ATOM 814 ND2 ASN A 71 -2.717 -5.549 7.356 1.00 0.00 N ATOM 0 H ASN A 71 -0.926 -5.758 3.987 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.798 -6.161 3.701 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -1.972 -4.355 5.287 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.646 -3.887 5.062 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.950 -6.147 8.149 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.972 -4.857 7.441 1.00 0.00 H new ATOM 821 N CYS A 72 -2.139 -3.790 2.148 1.00 0.00 N ATOM 822 CA CYS A 72 -2.246 -2.795 1.088 1.00 0.00 C ATOM 823 C CYS A 72 -2.797 -3.433 -0.178 1.00 0.00 C ATOM 824 O CYS A 72 -3.820 -3.000 -0.708 1.00 0.00 O ATOM 825 CB CYS A 72 -0.887 -2.148 0.801 1.00 0.00 C ATOM 826 SG CYS A 72 0.090 -1.768 2.274 1.00 0.00 S ATOM 0 H CYS A 72 -1.189 -3.956 2.481 1.00 0.00 H new ATOM 0 HA CYS A 72 -2.931 -2.016 1.423 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -0.310 -2.814 0.160 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -1.049 -1.227 0.240 1.00 0.00 H new ATOM 0 HG CYS A 72 -0.252 -2.568 3.240 1.00 0.00 H new ATOM 832 N THR A 73 -2.123 -4.475 -0.651 1.00 0.00 N ATOM 833 CA THR A 73 -2.566 -5.178 -1.845 1.00 0.00 C ATOM 834 C THR A 73 -3.919 -5.828 -1.584 1.00 0.00 C ATOM 835 O THR A 73 -4.822 -5.760 -2.415 1.00 0.00 O ATOM 836 CB THR A 73 -1.531 -6.225 -2.269 1.00 0.00 C ATOM 837 OG1 THR A 73 -1.656 -6.522 -3.648 1.00 0.00 O ATOM 838 CG2 THR A 73 -1.641 -7.529 -1.509 1.00 0.00 C ATOM 0 H THR A 73 -1.273 -4.848 -0.228 1.00 0.00 H new ATOM 0 HA THR A 73 -2.671 -4.463 -2.661 1.00 0.00 H new ATOM 0 HB THR A 73 -0.564 -5.776 -2.044 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.986 -7.191 -3.901 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.877 -8.222 -1.862 1.00 0.00 H new ATOM 0 HG22 THR A 73 -1.498 -7.343 -0.445 1.00 0.00 H new ATOM 0 HG23 THR A 73 -2.628 -7.963 -1.672 1.00 0.00 H new ATOM 846 N SER A 74 -4.069 -6.431 -0.405 1.00 0.00 N ATOM 847 CA SER A 74 -5.334 -7.053 -0.035 1.00 0.00 C ATOM 848 C SER A 74 -6.442 -6.012 -0.119 1.00 0.00 C ATOM 849 O SER A 74 -7.593 -6.325 -0.424 1.00 0.00 O ATOM 850 CB SER A 74 -5.259 -7.632 1.378 1.00 0.00 C ATOM 851 OG SER A 74 -6.544 -8.009 1.844 1.00 0.00 O ATOM 0 H SER A 74 -3.337 -6.500 0.302 1.00 0.00 H new ATOM 0 HA SER A 74 -5.546 -7.871 -0.723 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.598 -8.498 1.385 1.00 0.00 H new ATOM 0 HB3 SER A 74 -4.825 -6.895 2.054 1.00 0.00 H new ATOM 0 HG SER A 74 -6.469 -8.378 2.749 1.00 0.00 H new ATOM 857 N VAL A 75 -6.063 -4.761 0.133 1.00 0.00 N ATOM 858 CA VAL A 75 -6.987 -3.643 0.069 1.00 0.00 C ATOM 859 C VAL A 75 -7.369 -3.374 -1.389 1.00 0.00 C ATOM 860 O VAL A 75 -8.467 -2.898 -1.677 1.00 0.00 O ATOM 861 CB VAL A 75 -6.355 -2.389 0.733 1.00 0.00 C ATOM 862 CG1 VAL A 75 -6.356 -1.179 -0.187 1.00 0.00 C ATOM 863 CG2 VAL A 75 -7.054 -2.063 2.044 1.00 0.00 C ATOM 0 H VAL A 75 -5.110 -4.500 0.386 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.896 -3.887 0.619 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.313 -2.633 0.938 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.903 -0.331 0.327 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.784 -1.406 -1.087 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.381 -0.932 -0.462 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.595 -1.181 2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.109 -1.866 1.855 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.959 -2.907 2.727 1.00 0.00 H new ATOM 873 N ARG A 76 -6.460 -3.715 -2.305 1.00 0.00 N ATOM 874 CA ARG A 76 -6.706 -3.547 -3.732 1.00 0.00 C ATOM 875 C ARG A 76 -7.793 -4.512 -4.178 1.00 0.00 C ATOM 876 O ARG A 76 -8.823 -4.103 -4.708 1.00 0.00 O ATOM 877 CB ARG A 76 -5.434 -3.825 -4.535 1.00 0.00 C ATOM 878 CG ARG A 76 -4.331 -2.801 -4.331 1.00 0.00 C ATOM 879 CD ARG A 76 -3.048 -3.233 -5.025 1.00 0.00 C ATOM 880 NE ARG A 76 -3.268 -3.543 -6.435 1.00 0.00 N ATOM 881 CZ ARG A 76 -2.303 -3.918 -7.271 1.00 0.00 C ATOM 882 NH1 ARG A 76 -1.051 -4.029 -6.845 1.00 0.00 N ATOM 883 NH2 ARG A 76 -2.591 -4.182 -8.538 1.00 0.00 N ATOM 0 H ARG A 76 -5.547 -4.109 -2.080 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.021 -2.519 -3.909 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -5.054 -4.810 -4.263 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.688 -3.863 -5.594 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.651 -1.835 -4.720 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.145 -2.670 -3.265 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.305 -2.440 -4.940 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -2.640 -4.109 -4.520 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.217 -3.468 -6.801 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -0.824 -3.826 -5.872 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.316 -4.317 -7.491 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.551 -4.098 -8.871 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.852 -4.470 -9.180 1.00 0.00 H new ATOM 897 N ASP A 77 -7.553 -5.803 -3.945 1.00 0.00 N ATOM 898 CA ASP A 77 -8.512 -6.841 -4.309 1.00 0.00 C ATOM 899 C ASP A 77 -9.907 -6.456 -3.834 1.00 0.00 C ATOM 900 O ASP A 77 -10.905 -6.746 -4.495 1.00 0.00 O ATOM 901 CB ASP A 77 -8.098 -8.185 -3.702 1.00 0.00 C ATOM 902 CG ASP A 77 -7.718 -9.203 -4.759 1.00 0.00 C ATOM 903 OD1 ASP A 77 -8.408 -9.268 -5.798 1.00 0.00 O ATOM 904 OD2 ASP A 77 -6.729 -9.937 -4.547 1.00 0.00 O ATOM 0 H ASP A 77 -6.702 -6.153 -3.505 1.00 0.00 H new ATOM 0 HA ASP A 77 -8.525 -6.939 -5.394 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.255 -8.032 -3.029 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -8.918 -8.578 -3.101 1.00 0.00 H new ATOM 909 N LYS A 78 -9.962 -5.782 -2.691 1.00 0.00 N ATOM 910 CA LYS A 78 -11.227 -5.332 -2.133 1.00 0.00 C ATOM 911 C LYS A 78 -11.813 -4.237 -3.012 1.00 0.00 C ATOM 912 O LYS A 78 -13.012 -4.217 -3.293 1.00 0.00 O ATOM 913 CB LYS A 78 -11.024 -4.819 -0.704 1.00 0.00 C ATOM 914 CG LYS A 78 -11.072 -5.915 0.348 1.00 0.00 C ATOM 915 CD LYS A 78 -11.764 -5.442 1.618 1.00 0.00 C ATOM 916 CE LYS A 78 -10.762 -5.157 2.726 1.00 0.00 C ATOM 917 NZ LYS A 78 -10.677 -6.278 3.701 1.00 0.00 N ATOM 0 H LYS A 78 -9.144 -5.536 -2.134 1.00 0.00 H new ATOM 0 HA LYS A 78 -11.922 -6.171 -2.101 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.062 -4.310 -0.643 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -11.792 -4.078 -0.480 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.598 -6.782 -0.052 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.058 -6.238 0.584 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -12.340 -4.541 1.406 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -12.472 -6.201 1.952 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -9.779 -4.981 2.290 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.048 -4.244 3.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.983 -6.044 4.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.609 -6.430 4.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.379 -7.144 3.209 1.00 0.00 H new ATOM 931 N ILE A 79 -10.945 -3.339 -3.462 1.00 0.00 N ATOM 932 CA ILE A 79 -11.349 -2.247 -4.331 1.00 0.00 C ATOM 933 C ILE A 79 -11.683 -2.780 -5.719 1.00 0.00 C ATOM 934 O ILE A 79 -12.722 -2.451 -6.291 1.00 0.00 O ATOM 935 CB ILE A 79 -10.226 -1.192 -4.431 1.00 0.00 C ATOM 936 CG1 ILE A 79 -10.106 -0.428 -3.112 1.00 0.00 C ATOM 937 CG2 ILE A 79 -10.469 -0.236 -5.589 1.00 0.00 C ATOM 938 CD1 ILE A 79 -8.761 0.239 -2.921 1.00 0.00 C ATOM 0 H ILE A 79 -9.950 -3.349 -3.236 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.235 -1.776 -3.906 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.286 -1.709 -4.624 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.888 0.330 -3.068 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.282 -1.116 -2.285 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -9.661 0.495 -5.633 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -10.502 -0.797 -6.523 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.418 0.280 -5.442 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.747 0.762 -1.965 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.975 -0.516 -2.933 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.591 0.952 -3.727 1.00 0.00 H new ATOM 950 N GLU A 80 -10.796 -3.615 -6.248 1.00 0.00 N ATOM 951 CA GLU A 80 -10.997 -4.207 -7.560 1.00 0.00 C ATOM 952 C GLU A 80 -12.205 -5.135 -7.540 1.00 0.00 C ATOM 953 O GLU A 80 -12.910 -5.274 -8.539 1.00 0.00 O ATOM 954 CB GLU A 80 -9.750 -4.979 -7.995 1.00 0.00 C ATOM 955 CG GLU A 80 -8.488 -4.133 -8.015 1.00 0.00 C ATOM 956 CD GLU A 80 -7.396 -4.735 -8.878 1.00 0.00 C ATOM 957 OE1 GLU A 80 -7.558 -4.746 -10.117 1.00 0.00 O ATOM 958 OE2 GLU A 80 -6.381 -5.195 -8.316 1.00 0.00 O ATOM 0 H GLU A 80 -9.931 -3.896 -5.786 1.00 0.00 H new ATOM 0 HA GLU A 80 -11.179 -3.406 -8.276 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.601 -5.823 -7.321 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -9.917 -5.392 -8.990 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.729 -3.136 -8.384 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -8.118 -4.015 -6.997 1.00 0.00 H new ATOM 965 N SER A 81 -12.446 -5.761 -6.389 1.00 0.00 N ATOM 966 CA SER A 81 -13.581 -6.662 -6.242 1.00 0.00 C ATOM 967 C SER A 81 -14.880 -5.892 -6.429 1.00 0.00 C ATOM 968 O SER A 81 -15.858 -6.414 -6.965 1.00 0.00 O ATOM 969 CB SER A 81 -13.559 -7.331 -4.866 1.00 0.00 C ATOM 970 OG SER A 81 -14.761 -8.041 -4.624 1.00 0.00 O ATOM 0 H SER A 81 -11.873 -5.660 -5.551 1.00 0.00 H new ATOM 0 HA SER A 81 -13.513 -7.438 -7.004 1.00 0.00 H new ATOM 0 HB2 SER A 81 -12.711 -8.013 -4.804 1.00 0.00 H new ATOM 0 HB3 SER A 81 -13.418 -6.575 -4.093 1.00 0.00 H new ATOM 0 HG SER A 81 -14.721 -8.460 -3.739 1.00 0.00 H new ATOM 976 N ASN A 82 -14.873 -4.638 -5.990 1.00 0.00 N ATOM 977 CA ASN A 82 -16.037 -3.773 -6.112 1.00 0.00 C ATOM 978 C ASN A 82 -16.172 -3.266 -7.546 1.00 0.00 C ATOM 979 O ASN A 82 -15.535 -2.286 -7.932 1.00 0.00 O ATOM 980 CB ASN A 82 -15.907 -2.599 -5.143 1.00 0.00 C ATOM 981 CG ASN A 82 -17.213 -1.867 -4.931 1.00 0.00 C ATOM 982 OD1 ASN A 82 -18.248 -2.476 -4.662 1.00 0.00 O ATOM 983 ND2 ASN A 82 -17.167 -0.549 -5.055 1.00 0.00 N ATOM 0 H ASN A 82 -14.068 -4.197 -5.544 1.00 0.00 H new ATOM 0 HA ASN A 82 -16.933 -4.342 -5.863 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -15.541 -2.964 -4.184 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -15.162 -1.900 -5.524 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -18.014 0.005 -4.926 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -16.285 -0.088 -5.279 1.00 0.00 H new ATOM 990 N ILE A 83 -16.992 -3.955 -8.336 1.00 0.00 N ATOM 991 CA ILE A 83 -17.202 -3.598 -9.738 1.00 0.00 C ATOM 992 C ILE A 83 -17.419 -2.099 -9.932 1.00 0.00 C ATOM 993 O ILE A 83 -17.093 -1.552 -10.986 1.00 0.00 O ATOM 994 CB ILE A 83 -18.401 -4.360 -10.338 1.00 0.00 C ATOM 995 CG1 ILE A 83 -18.452 -4.162 -11.854 1.00 0.00 C ATOM 996 CG2 ILE A 83 -19.701 -3.902 -9.694 1.00 0.00 C ATOM 997 CD1 ILE A 83 -17.182 -4.578 -12.562 1.00 0.00 C ATOM 0 H ILE A 83 -17.525 -4.768 -8.027 1.00 0.00 H new ATOM 0 HA ILE A 83 -16.289 -3.884 -10.259 1.00 0.00 H new ATOM 0 HB ILE A 83 -18.274 -5.423 -10.133 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -19.287 -4.733 -12.259 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -18.650 -3.112 -12.068 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -20.536 -4.451 -10.130 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -19.662 -4.092 -8.621 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -19.837 -2.835 -9.869 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -17.291 -4.410 -13.633 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -16.346 -3.989 -12.185 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -16.993 -5.636 -12.378 1.00 0.00 H new ATOM 1009 N LEU A 84 -17.966 -1.435 -8.919 1.00 0.00 N ATOM 1010 CA LEU A 84 -18.213 0.000 -9.003 1.00 0.00 C ATOM 1011 C LEU A 84 -16.934 0.750 -9.365 1.00 0.00 C ATOM 1012 O LEU A 84 -16.983 1.868 -9.879 1.00 0.00 O ATOM 1013 CB LEU A 84 -18.772 0.524 -7.681 1.00 0.00 C ATOM 1014 CG LEU A 84 -20.286 0.386 -7.519 1.00 0.00 C ATOM 1015 CD1 LEU A 84 -20.651 0.207 -6.054 1.00 0.00 C ATOM 1016 CD2 LEU A 84 -20.997 1.597 -8.102 1.00 0.00 C ATOM 0 H LEU A 84 -18.245 -1.864 -8.036 1.00 0.00 H new ATOM 0 HA LEU A 84 -18.948 0.171 -9.789 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -18.285 -0.006 -6.862 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -18.506 1.576 -7.583 1.00 0.00 H new ATOM 0 HG LEU A 84 -20.611 -0.499 -8.065 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -21.732 0.110 -5.958 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -20.170 -0.691 -5.666 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -20.312 1.073 -5.486 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -22.074 1.481 -7.978 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -20.667 2.497 -7.584 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -20.761 1.682 -9.163 1.00 0.00 H new ATOM 1028 N ILE A 85 -15.789 0.124 -9.104 1.00 0.00 N ATOM 1029 CA ILE A 85 -14.501 0.728 -9.413 1.00 0.00 C ATOM 1030 C ILE A 85 -14.298 0.822 -10.923 1.00 0.00 C ATOM 1031 O ILE A 85 -13.559 1.678 -11.410 1.00 0.00 O ATOM 1032 CB ILE A 85 -13.342 -0.074 -8.782 1.00 0.00 C ATOM 1033 CG1 ILE A 85 -12.004 0.625 -9.028 1.00 0.00 C ATOM 1034 CG2 ILE A 85 -13.311 -1.492 -9.330 1.00 0.00 C ATOM 1035 CD1 ILE A 85 -11.527 1.443 -7.849 1.00 0.00 C ATOM 0 H ILE A 85 -15.730 -0.801 -8.679 1.00 0.00 H new ATOM 0 HA ILE A 85 -14.500 1.732 -8.989 1.00 0.00 H new ATOM 0 HB ILE A 85 -13.509 -0.125 -7.706 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -11.250 -0.124 -9.269 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -12.097 1.275 -9.898 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -12.487 -2.041 -8.873 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -14.252 -1.992 -9.100 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -13.171 -1.461 -10.411 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.573 1.911 -8.093 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -12.262 2.215 -7.621 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -11.402 0.794 -6.982 1.00 0.00 H new ATOM 1047 N HIS A 86 -14.965 -0.061 -11.662 1.00 0.00 N ATOM 1048 CA HIS A 86 -14.860 -0.074 -13.117 1.00 0.00 C ATOM 1049 C HIS A 86 -15.877 0.873 -13.749 1.00 0.00 C ATOM 1050 O HIS A 86 -15.680 1.352 -14.866 1.00 0.00 O ATOM 1051 CB HIS A 86 -15.069 -1.492 -13.651 1.00 0.00 C ATOM 1052 CG HIS A 86 -13.922 -2.413 -13.370 1.00 0.00 C ATOM 1053 ND1 HIS A 86 -12.997 -2.777 -14.325 1.00 0.00 N ATOM 1054 CD2 HIS A 86 -13.553 -3.047 -12.231 1.00 0.00 C ATOM 1055 CE1 HIS A 86 -12.109 -3.594 -13.787 1.00 0.00 C ATOM 1056 NE2 HIS A 86 -12.424 -3.773 -12.518 1.00 0.00 N ATOM 0 H HIS A 86 -15.583 -0.775 -11.277 1.00 0.00 H new ATOM 0 HA HIS A 86 -13.860 0.267 -13.385 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -15.975 -1.908 -13.209 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -15.232 -1.446 -14.728 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -14.054 -2.992 -11.276 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -11.269 -4.039 -14.299 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -11.911 -4.357 -11.857 1.00 0.00 H new ATOM 1065 N GLN A 87 -16.964 1.137 -13.031 1.00 0.00 N ATOM 1066 CA GLN A 87 -18.011 2.023 -13.526 1.00 0.00 C ATOM 1067 C GLN A 87 -17.627 3.487 -13.324 1.00 0.00 C ATOM 1068 O GLN A 87 -17.719 4.298 -14.246 1.00 0.00 O ATOM 1069 CB GLN A 87 -19.343 1.702 -12.828 1.00 0.00 C ATOM 1070 CG GLN A 87 -19.766 2.705 -11.762 1.00 0.00 C ATOM 1071 CD GLN A 87 -21.137 2.403 -11.190 1.00 0.00 C ATOM 1072 OE1 GLN A 87 -21.967 3.298 -11.031 1.00 0.00 O ATOM 1073 NE2 GLN A 87 -21.383 1.136 -10.875 1.00 0.00 N ATOM 0 H GLN A 87 -17.143 0.750 -12.104 1.00 0.00 H new ATOM 0 HA GLN A 87 -18.130 1.858 -14.597 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -20.127 1.643 -13.583 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -19.268 0.716 -12.369 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -19.032 2.705 -10.956 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -19.768 3.707 -12.191 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -20.667 0.425 -11.023 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -22.288 0.874 -10.485 1.00 0.00 H new ATOM 1082 N ASN A 88 -17.199 3.816 -12.111 1.00 0.00 N ATOM 1083 CA ASN A 88 -16.804 5.182 -11.785 1.00 0.00 C ATOM 1084 C ASN A 88 -15.394 5.476 -12.287 1.00 0.00 C ATOM 1085 O ASN A 88 -14.408 5.056 -11.681 1.00 0.00 O ATOM 1086 CB ASN A 88 -16.881 5.415 -10.273 1.00 0.00 C ATOM 1087 CG ASN A 88 -17.669 6.661 -9.921 1.00 0.00 C ATOM 1088 OD1 ASN A 88 -17.667 7.642 -10.664 1.00 0.00 O ATOM 1089 ND2 ASN A 88 -18.349 6.629 -8.780 1.00 0.00 N ATOM 0 H ASN A 88 -17.116 3.157 -11.337 1.00 0.00 H new ATOM 0 HA ASN A 88 -17.496 5.861 -12.283 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -17.343 4.550 -9.798 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -15.872 5.500 -9.869 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -18.897 7.439 -8.490 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -18.323 5.795 -8.194 1.00 0.00 H new ATOM 1096 N GLY A 89 -15.307 6.200 -13.399 1.00 0.00 N ATOM 1097 CA GLY A 89 -14.014 6.539 -13.966 1.00 0.00 C ATOM 1098 C GLY A 89 -13.125 7.276 -12.984 1.00 0.00 C ATOM 1099 O GLY A 89 -11.915 7.054 -12.945 1.00 0.00 O ATOM 0 H GLY A 89 -16.109 6.558 -13.918 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -13.513 5.627 -14.291 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -14.160 7.156 -14.853 1.00 0.00 H new ATOM 1103 N LYS A 90 -13.726 8.152 -12.187 1.00 0.00 N ATOM 1104 CA LYS A 90 -12.980 8.921 -11.199 1.00 0.00 C ATOM 1105 C LYS A 90 -12.321 7.995 -10.182 1.00 0.00 C ATOM 1106 O LYS A 90 -11.095 7.937 -10.084 1.00 0.00 O ATOM 1107 CB LYS A 90 -13.904 9.909 -10.484 1.00 0.00 C ATOM 1108 CG LYS A 90 -13.200 10.744 -9.425 1.00 0.00 C ATOM 1109 CD LYS A 90 -13.005 12.184 -9.880 1.00 0.00 C ATOM 1110 CE LYS A 90 -13.698 13.164 -8.947 1.00 0.00 C ATOM 1111 NZ LYS A 90 -14.391 14.249 -9.696 1.00 0.00 N ATOM 0 H LYS A 90 -14.727 8.347 -12.206 1.00 0.00 H new ATOM 0 HA LYS A 90 -12.201 9.478 -11.719 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -14.351 10.575 -11.222 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -14.720 9.358 -10.017 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -13.782 10.729 -8.504 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.231 10.300 -9.197 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.940 12.412 -9.922 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.397 12.303 -10.890 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -14.421 12.629 -8.331 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -12.964 13.602 -8.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -14.851 14.896 -9.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -13.698 14.776 -10.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -15.109 13.834 -10.323 1.00 0.00 H new ATOM 1125 N LEU A 91 -13.143 7.274 -9.425 1.00 0.00 N ATOM 1126 CA LEU A 91 -12.638 6.353 -8.415 1.00 0.00 C ATOM 1127 C LEU A 91 -11.684 5.336 -9.024 1.00 0.00 C ATOM 1128 O LEU A 91 -10.658 5.002 -8.432 1.00 0.00 O ATOM 1129 CB LEU A 91 -13.794 5.628 -7.733 1.00 0.00 C ATOM 1130 CG LEU A 91 -14.352 6.332 -6.502 1.00 0.00 C ATOM 1131 CD1 LEU A 91 -15.523 5.547 -5.935 1.00 0.00 C ATOM 1132 CD2 LEU A 91 -13.262 6.516 -5.454 1.00 0.00 C ATOM 0 H LEU A 91 -14.160 7.310 -9.493 1.00 0.00 H new ATOM 0 HA LEU A 91 -12.092 6.938 -7.675 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -14.599 5.497 -8.456 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -13.460 4.632 -7.444 1.00 0.00 H new ATOM 0 HG LEU A 91 -14.710 7.319 -6.794 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -15.913 6.060 -5.056 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -16.307 5.469 -6.688 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -15.189 4.548 -5.654 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -13.677 7.020 -4.582 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -12.873 5.542 -5.159 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -12.455 7.118 -5.871 1.00 0.00 H new ATOM 1144 N SER A 92 -12.025 4.849 -10.213 1.00 0.00 N ATOM 1145 CA SER A 92 -11.191 3.872 -10.904 1.00 0.00 C ATOM 1146 C SER A 92 -9.737 4.322 -10.893 1.00 0.00 C ATOM 1147 O SER A 92 -8.828 3.530 -10.640 1.00 0.00 O ATOM 1148 CB SER A 92 -11.672 3.680 -12.344 1.00 0.00 C ATOM 1149 OG SER A 92 -11.164 4.695 -13.193 1.00 0.00 O ATOM 0 H SER A 92 -12.871 5.114 -10.717 1.00 0.00 H new ATOM 0 HA SER A 92 -11.270 2.918 -10.382 1.00 0.00 H new ATOM 0 HB2 SER A 92 -11.354 2.704 -12.709 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.762 3.691 -12.371 1.00 0.00 H new ATOM 0 HG SER A 92 -11.442 5.572 -12.856 1.00 0.00 H new ATOM 1155 N ALA A 93 -9.533 5.608 -11.147 1.00 0.00 N ATOM 1156 CA ALA A 93 -8.196 6.185 -11.149 1.00 0.00 C ATOM 1157 C ALA A 93 -7.656 6.280 -9.728 1.00 0.00 C ATOM 1158 O ALA A 93 -6.450 6.182 -9.500 1.00 0.00 O ATOM 1159 CB ALA A 93 -8.215 7.558 -11.803 1.00 0.00 C ATOM 0 H ALA A 93 -10.279 6.272 -11.355 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.538 5.535 -11.725 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.209 7.978 -11.798 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.564 7.466 -12.831 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -8.885 8.215 -11.249 1.00 0.00 H new ATOM 1165 N ASP A 94 -8.564 6.467 -8.772 1.00 0.00 N ATOM 1166 CA ASP A 94 -8.192 6.571 -7.364 1.00 0.00 C ATOM 1167 C ASP A 94 -7.257 5.434 -6.961 1.00 0.00 C ATOM 1168 O ASP A 94 -6.071 5.648 -6.722 1.00 0.00 O ATOM 1169 CB ASP A 94 -9.443 6.550 -6.482 1.00 0.00 C ATOM 1170 CG ASP A 94 -9.390 7.591 -5.380 1.00 0.00 C ATOM 1171 OD1 ASP A 94 -8.564 7.435 -4.456 1.00 0.00 O ATOM 1172 OD2 ASP A 94 -10.173 8.561 -5.442 1.00 0.00 O ATOM 0 H ASP A 94 -9.565 6.550 -8.949 1.00 0.00 H new ATOM 0 HA ASP A 94 -7.669 7.517 -7.223 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -10.323 6.724 -7.101 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -9.555 5.561 -6.039 1.00 0.00 H new ATOM 1177 N PHE A 95 -7.807 4.227 -6.890 1.00 0.00 N ATOM 1178 CA PHE A 95 -7.037 3.047 -6.516 1.00 0.00 C ATOM 1179 C PHE A 95 -5.892 2.800 -7.499 1.00 0.00 C ATOM 1180 O PHE A 95 -4.784 2.445 -7.096 1.00 0.00 O ATOM 1181 CB PHE A 95 -7.967 1.831 -6.446 1.00 0.00 C ATOM 1182 CG PHE A 95 -7.426 0.589 -7.102 1.00 0.00 C ATOM 1183 CD1 PHE A 95 -7.610 0.379 -8.459 1.00 0.00 C ATOM 1184 CD2 PHE A 95 -6.737 -0.364 -6.367 1.00 0.00 C ATOM 1185 CE1 PHE A 95 -7.118 -0.757 -9.072 1.00 0.00 C ATOM 1186 CE2 PHE A 95 -6.244 -1.501 -6.975 1.00 0.00 C ATOM 1187 CZ PHE A 95 -6.434 -1.698 -8.329 1.00 0.00 C ATOM 0 H PHE A 95 -8.790 4.040 -7.088 1.00 0.00 H new ATOM 0 HA PHE A 95 -6.593 3.214 -5.535 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.177 1.611 -5.399 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.917 2.089 -6.915 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -8.145 1.112 -9.045 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.585 -0.215 -5.308 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -7.268 -0.909 -10.131 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -5.710 -2.237 -6.392 1.00 0.00 H new ATOM 0 HZ PHE A 95 -6.048 -2.587 -8.806 1.00 0.00 H new ATOM 1197 N LYS A 96 -6.167 2.981 -8.788 1.00 0.00 N ATOM 1198 CA LYS A 96 -5.159 2.768 -9.824 1.00 0.00 C ATOM 1199 C LYS A 96 -3.872 3.519 -9.502 1.00 0.00 C ATOM 1200 O LYS A 96 -2.772 2.995 -9.679 1.00 0.00 O ATOM 1201 CB LYS A 96 -5.692 3.217 -11.184 1.00 0.00 C ATOM 1202 CG LYS A 96 -6.598 2.197 -11.849 1.00 0.00 C ATOM 1203 CD LYS A 96 -7.334 2.800 -13.032 1.00 0.00 C ATOM 1204 CE LYS A 96 -7.983 1.729 -13.894 1.00 0.00 C ATOM 1205 NZ LYS A 96 -9.465 1.725 -13.753 1.00 0.00 N ATOM 0 H LYS A 96 -7.078 3.274 -9.140 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.937 1.702 -9.859 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.240 4.151 -11.060 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -4.850 3.427 -11.843 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.006 1.345 -12.183 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.319 1.820 -11.123 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.097 3.490 -12.673 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -6.638 3.381 -13.636 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -7.718 1.894 -14.938 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.589 0.751 -13.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -9.870 0.992 -14.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -9.719 1.525 -12.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -9.842 2.655 -14.027 1.00 0.00 H new ATOM 1219 N ASN A 97 -4.019 4.748 -9.027 1.00 0.00 N ATOM 1220 CA ASN A 97 -2.868 5.575 -8.678 1.00 0.00 C ATOM 1221 C ASN A 97 -2.185 5.045 -7.423 1.00 0.00 C ATOM 1222 O ASN A 97 -0.964 5.123 -7.286 1.00 0.00 O ATOM 1223 CB ASN A 97 -3.303 7.026 -8.462 1.00 0.00 C ATOM 1224 CG ASN A 97 -2.329 8.018 -9.067 1.00 0.00 C ATOM 1225 OD1 ASN A 97 -1.129 7.972 -8.797 1.00 0.00 O ATOM 1226 ND2 ASN A 97 -2.843 8.923 -9.892 1.00 0.00 N ATOM 0 H ASN A 97 -4.923 5.196 -8.874 1.00 0.00 H new ATOM 0 HA ASN A 97 -2.157 5.536 -9.504 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -4.289 7.176 -8.901 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -3.397 7.219 -7.393 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -2.237 9.617 -10.330 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -3.844 8.924 -10.088 1.00 0.00 H new ATOM 1233 N LEU A 98 -2.984 4.508 -6.508 1.00 0.00 N ATOM 1234 CA LEU A 98 -2.461 3.966 -5.261 1.00 0.00 C ATOM 1235 C LEU A 98 -1.689 2.676 -5.507 1.00 0.00 C ATOM 1236 O LEU A 98 -0.495 2.596 -5.221 1.00 0.00 O ATOM 1237 CB LEU A 98 -3.603 3.718 -4.278 1.00 0.00 C ATOM 1238 CG LEU A 98 -4.565 4.894 -4.113 1.00 0.00 C ATOM 1239 CD1 LEU A 98 -5.883 4.433 -3.515 1.00 0.00 C ATOM 1240 CD2 LEU A 98 -3.936 5.978 -3.256 1.00 0.00 C ATOM 0 H LEU A 98 -3.997 4.437 -6.607 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.774 4.696 -4.833 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -4.168 2.847 -4.610 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.180 3.472 -3.304 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.769 5.311 -5.099 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.552 5.287 -3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.342 3.694 -4.172 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.703 3.987 -2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.634 6.808 -3.149 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -3.700 5.573 -2.272 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.021 6.333 -3.731 1.00 0.00 H new ATOM 1252 N LYS A 99 -2.371 1.669 -6.046 1.00 0.00 N ATOM 1253 CA LYS A 99 -1.730 0.389 -6.331 1.00 0.00 C ATOM 1254 C LYS A 99 -0.495 0.599 -7.195 1.00 0.00 C ATOM 1255 O LYS A 99 0.502 -0.109 -7.057 1.00 0.00 O ATOM 1256 CB LYS A 99 -2.703 -0.564 -7.031 1.00 0.00 C ATOM 1257 CG LYS A 99 -3.417 0.055 -8.223 1.00 0.00 C ATOM 1258 CD LYS A 99 -3.357 -0.853 -9.442 1.00 0.00 C ATOM 1259 CE LYS A 99 -3.412 -0.056 -10.736 1.00 0.00 C ATOM 1260 NZ LYS A 99 -2.425 -0.550 -11.735 1.00 0.00 N ATOM 0 H LYS A 99 -3.360 1.713 -6.293 1.00 0.00 H new ATOM 0 HA LYS A 99 -1.430 -0.059 -5.384 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.156 -1.446 -7.365 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -3.447 -0.904 -6.310 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.458 0.250 -7.964 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -2.962 1.017 -8.462 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -2.439 -1.440 -9.414 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -4.188 -1.558 -9.413 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -4.416 -0.116 -11.157 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -3.218 0.995 -10.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -2.494 0.019 -12.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -1.465 -0.469 -11.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -2.625 -1.546 -11.958 1.00 0.00 H new ATOM 1274 N THR A 100 -0.567 1.591 -8.074 1.00 0.00 N ATOM 1275 CA THR A 100 0.544 1.915 -8.953 1.00 0.00 C ATOM 1276 C THR A 100 1.696 2.506 -8.146 1.00 0.00 C ATOM 1277 O THR A 100 2.822 2.009 -8.194 1.00 0.00 O ATOM 1278 CB THR A 100 0.081 2.895 -10.037 1.00 0.00 C ATOM 1279 OG1 THR A 100 -0.586 2.208 -11.081 1.00 0.00 O ATOM 1280 CG2 THR A 100 1.205 3.693 -10.663 1.00 0.00 C ATOM 0 H THR A 100 -1.387 2.185 -8.195 1.00 0.00 H new ATOM 0 HA THR A 100 0.897 1.004 -9.437 1.00 0.00 H new ATOM 0 HB THR A 100 -0.585 3.588 -9.523 1.00 0.00 H new ATOM 0 HG1 THR A 100 -1.555 2.295 -10.963 1.00 0.00 H new ATOM 0 HG21 THR A 100 0.798 4.363 -11.420 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.708 4.278 -9.893 1.00 0.00 H new ATOM 0 HG23 THR A 100 1.919 3.013 -11.127 1.00 0.00 H new ATOM 1288 N LYS A 101 1.404 3.566 -7.398 1.00 0.00 N ATOM 1289 CA LYS A 101 2.417 4.212 -6.578 1.00 0.00 C ATOM 1290 C LYS A 101 2.946 3.240 -5.529 1.00 0.00 C ATOM 1291 O LYS A 101 4.115 3.290 -5.155 1.00 0.00 O ATOM 1292 CB LYS A 101 1.851 5.482 -5.919 1.00 0.00 C ATOM 1293 CG LYS A 101 1.054 5.242 -4.642 1.00 0.00 C ATOM 1294 CD LYS A 101 1.255 6.372 -3.644 1.00 0.00 C ATOM 1295 CE LYS A 101 2.508 6.161 -2.810 1.00 0.00 C ATOM 1296 NZ LYS A 101 3.241 7.436 -2.576 1.00 0.00 N ATOM 0 H LYS A 101 0.479 3.992 -7.344 1.00 0.00 H new ATOM 0 HA LYS A 101 3.248 4.509 -7.218 1.00 0.00 H new ATOM 0 HB2 LYS A 101 2.678 6.156 -5.693 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.211 5.993 -6.639 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.005 5.151 -4.883 1.00 0.00 H new ATOM 0 HG3 LYS A 101 1.360 4.298 -4.192 1.00 0.00 H new ATOM 0 HD2 LYS A 101 1.326 7.321 -4.176 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.387 6.439 -2.988 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.236 5.718 -1.852 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.165 5.452 -3.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 4.089 7.249 -2.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 3.523 7.847 -3.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 2.623 8.104 -2.072 1.00 0.00 H new ATOM 1310 N TYR A 102 2.070 2.351 -5.067 1.00 0.00 N ATOM 1311 CA TYR A 102 2.438 1.358 -4.064 1.00 0.00 C ATOM 1312 C TYR A 102 3.471 0.382 -4.626 1.00 0.00 C ATOM 1313 O TYR A 102 4.377 -0.053 -3.915 1.00 0.00 O ATOM 1314 CB TYR A 102 1.184 0.612 -3.584 1.00 0.00 C ATOM 1315 CG TYR A 102 1.441 -0.787 -3.060 1.00 0.00 C ATOM 1316 CD1 TYR A 102 2.213 -0.998 -1.923 1.00 0.00 C ATOM 1317 CD2 TYR A 102 0.905 -1.894 -3.705 1.00 0.00 C ATOM 1318 CE1 TYR A 102 2.444 -2.276 -1.446 1.00 0.00 C ATOM 1319 CE2 TYR A 102 1.132 -3.172 -3.234 1.00 0.00 C ATOM 1320 CZ TYR A 102 1.901 -3.358 -2.106 1.00 0.00 C ATOM 1321 OH TYR A 102 2.129 -4.629 -1.637 1.00 0.00 O ATOM 0 H TYR A 102 1.098 2.299 -5.373 1.00 0.00 H new ATOM 0 HA TYR A 102 2.889 1.867 -3.212 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.708 1.198 -2.798 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.475 0.551 -4.410 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.639 -0.152 -1.404 1.00 0.00 H new ATOM 0 HD2 TYR A 102 0.301 -1.753 -4.589 1.00 0.00 H new ATOM 0 HE1 TYR A 102 3.046 -2.425 -0.562 1.00 0.00 H new ATOM 0 HE2 TYR A 102 0.708 -4.022 -3.748 1.00 0.00 H new ATOM 0 HH TYR A 102 2.044 -5.270 -2.374 1.00 0.00 H new ATOM 1331 N GLN A 103 3.330 0.046 -5.904 1.00 0.00 N ATOM 1332 CA GLN A 103 4.255 -0.873 -6.555 1.00 0.00 C ATOM 1333 C GLN A 103 5.670 -0.310 -6.540 1.00 0.00 C ATOM 1334 O GLN A 103 6.636 -1.033 -6.298 1.00 0.00 O ATOM 1335 CB GLN A 103 3.818 -1.140 -7.997 1.00 0.00 C ATOM 1336 CG GLN A 103 2.533 -1.943 -8.111 1.00 0.00 C ATOM 1337 CD GLN A 103 2.633 -3.060 -9.131 1.00 0.00 C ATOM 1338 OE1 GLN A 103 2.776 -4.230 -8.777 1.00 0.00 O ATOM 1339 NE2 GLN A 103 2.557 -2.701 -10.408 1.00 0.00 N ATOM 0 H GLN A 103 2.586 0.396 -6.508 1.00 0.00 H new ATOM 0 HA GLN A 103 4.245 -1.812 -6.002 1.00 0.00 H new ATOM 0 HB2 GLN A 103 3.686 -0.187 -8.509 1.00 0.00 H new ATOM 0 HB3 GLN A 103 4.615 -1.673 -8.515 1.00 0.00 H new ATOM 0 HG2 GLN A 103 2.285 -2.366 -7.137 1.00 0.00 H new ATOM 0 HG3 GLN A 103 1.716 -1.277 -8.386 1.00 0.00 H new ATOM 0 HE21 GLN A 103 2.438 -1.719 -10.655 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.617 -3.408 -11.141 1.00 0.00 H new ATOM 1348 N SER A 104 5.786 0.985 -6.797 1.00 0.00 N ATOM 1349 CA SER A 104 7.085 1.644 -6.805 1.00 0.00 C ATOM 1350 C SER A 104 7.735 1.560 -5.430 1.00 0.00 C ATOM 1351 O SER A 104 8.952 1.419 -5.311 1.00 0.00 O ATOM 1352 CB SER A 104 6.930 3.108 -7.207 1.00 0.00 C ATOM 1353 OG SER A 104 8.001 3.529 -8.034 1.00 0.00 O ATOM 0 H SER A 104 4.998 1.600 -7.002 1.00 0.00 H new ATOM 0 HA SER A 104 7.722 1.136 -7.530 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.985 3.245 -7.733 1.00 0.00 H new ATOM 0 HB3 SER A 104 6.891 3.731 -6.313 1.00 0.00 H new ATOM 0 HG SER A 104 7.876 4.470 -8.278 1.00 0.00 H new ATOM 1359 N LEU A 105 6.908 1.654 -4.396 1.00 0.00 N ATOM 1360 CA LEU A 105 7.386 1.597 -3.024 1.00 0.00 C ATOM 1361 C LEU A 105 8.002 0.244 -2.714 1.00 0.00 C ATOM 1362 O LEU A 105 9.129 0.162 -2.227 1.00 0.00 O ATOM 1363 CB LEU A 105 6.231 1.871 -2.062 1.00 0.00 C ATOM 1364 CG LEU A 105 5.459 3.159 -2.332 1.00 0.00 C ATOM 1365 CD1 LEU A 105 4.175 3.197 -1.515 1.00 0.00 C ATOM 1366 CD2 LEU A 105 6.329 4.366 -2.031 1.00 0.00 C ATOM 0 H LEU A 105 5.899 1.771 -4.485 1.00 0.00 H new ATOM 0 HA LEU A 105 8.155 2.359 -2.900 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.536 1.033 -2.105 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.625 1.907 -1.046 1.00 0.00 H new ATOM 0 HG LEU A 105 5.186 3.187 -3.387 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.639 4.123 -1.722 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.548 2.347 -1.784 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.418 3.148 -0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 105 5.766 5.278 -2.228 1.00 0.00 H new ATOM 0 HD22 LEU A 105 6.631 4.345 -0.984 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.215 4.343 -2.665 1.00 0.00 H new ATOM 1378 N GLN A 106 7.257 -0.817 -2.995 1.00 0.00 N ATOM 1379 CA GLN A 106 7.745 -2.170 -2.734 1.00 0.00 C ATOM 1380 C GLN A 106 9.075 -2.407 -3.444 1.00 0.00 C ATOM 1381 O GLN A 106 9.979 -3.041 -2.900 1.00 0.00 O ATOM 1382 CB GLN A 106 6.732 -3.243 -3.174 1.00 0.00 C ATOM 1383 CG GLN A 106 5.499 -2.716 -3.893 1.00 0.00 C ATOM 1384 CD GLN A 106 4.748 -3.807 -4.631 1.00 0.00 C ATOM 1385 OE1 GLN A 106 4.850 -3.930 -5.852 1.00 0.00 O ATOM 1386 NE2 GLN A 106 3.991 -4.607 -3.892 1.00 0.00 N ATOM 0 H GLN A 106 6.322 -0.772 -3.400 1.00 0.00 H new ATOM 0 HA GLN A 106 7.884 -2.255 -1.656 1.00 0.00 H new ATOM 0 HB2 GLN A 106 7.239 -3.951 -3.829 1.00 0.00 H new ATOM 0 HB3 GLN A 106 6.409 -3.798 -2.293 1.00 0.00 H new ATOM 0 HG2 GLN A 106 4.833 -2.246 -3.169 1.00 0.00 H new ATOM 0 HG3 GLN A 106 5.797 -1.942 -4.600 1.00 0.00 H new ATOM 0 HE21 GLN A 106 3.936 -4.468 -2.883 1.00 0.00 H new ATOM 0 HE22 GLN A 106 3.464 -5.361 -4.333 1.00 0.00 H new ATOM 1395 N GLN A 107 9.179 -1.897 -4.666 1.00 0.00 N ATOM 1396 CA GLN A 107 10.389 -2.054 -5.467 1.00 0.00 C ATOM 1397 C GLN A 107 11.550 -1.236 -4.907 1.00 0.00 C ATOM 1398 O GLN A 107 12.652 -1.755 -4.729 1.00 0.00 O ATOM 1399 CB GLN A 107 10.123 -1.640 -6.917 1.00 0.00 C ATOM 1400 CG GLN A 107 8.808 -2.162 -7.473 1.00 0.00 C ATOM 1401 CD GLN A 107 9.003 -3.138 -8.617 1.00 0.00 C ATOM 1402 OE1 GLN A 107 9.058 -4.350 -8.412 1.00 0.00 O ATOM 1403 NE2 GLN A 107 9.109 -2.611 -9.832 1.00 0.00 N ATOM 0 H GLN A 107 8.437 -1.369 -5.126 1.00 0.00 H new ATOM 0 HA GLN A 107 10.668 -3.107 -5.431 1.00 0.00 H new ATOM 0 HB2 GLN A 107 10.127 -0.552 -6.981 1.00 0.00 H new ATOM 0 HB3 GLN A 107 10.940 -1.999 -7.543 1.00 0.00 H new ATOM 0 HG2 GLN A 107 8.249 -2.651 -6.675 1.00 0.00 H new ATOM 0 HG3 GLN A 107 8.204 -1.322 -7.816 1.00 0.00 H new ATOM 0 HE21 GLN A 107 9.058 -1.600 -9.956 1.00 0.00 H new ATOM 0 HE22 GLN A 107 9.242 -3.218 -10.641 1.00 0.00 H new ATOM 1412 N SER A 108 11.305 0.044 -4.640 1.00 0.00 N ATOM 1413 CA SER A 108 12.345 0.923 -4.113 1.00 0.00 C ATOM 1414 C SER A 108 12.851 0.427 -2.763 1.00 0.00 C ATOM 1415 O SER A 108 14.028 0.579 -2.432 1.00 0.00 O ATOM 1416 CB SER A 108 11.812 2.350 -3.977 1.00 0.00 C ATOM 1417 OG SER A 108 12.873 3.282 -3.857 1.00 0.00 O ATOM 0 H SER A 108 10.400 0.494 -4.779 1.00 0.00 H new ATOM 0 HA SER A 108 13.179 0.916 -4.815 1.00 0.00 H new ATOM 0 HB2 SER A 108 11.203 2.598 -4.846 1.00 0.00 H new ATOM 0 HB3 SER A 108 11.164 2.418 -3.103 1.00 0.00 H new ATOM 0 HG SER A 108 12.506 4.187 -3.773 1.00 0.00 H new ATOM 1423 N TYR A 109 11.950 -0.158 -1.987 1.00 0.00 N ATOM 1424 CA TYR A 109 12.288 -0.669 -0.666 1.00 0.00 C ATOM 1425 C TYR A 109 12.893 -2.066 -0.753 1.00 0.00 C ATOM 1426 O TYR A 109 13.891 -2.359 -0.096 1.00 0.00 O ATOM 1427 CB TYR A 109 11.031 -0.649 0.212 1.00 0.00 C ATOM 1428 CG TYR A 109 10.724 -1.925 0.971 1.00 0.00 C ATOM 1429 CD1 TYR A 109 11.675 -2.539 1.774 1.00 0.00 C ATOM 1430 CD2 TYR A 109 9.465 -2.502 0.892 1.00 0.00 C ATOM 1431 CE1 TYR A 109 11.383 -3.691 2.473 1.00 0.00 C ATOM 1432 CE2 TYR A 109 9.163 -3.653 1.587 1.00 0.00 C ATOM 1433 CZ TYR A 109 10.126 -4.245 2.377 1.00 0.00 C ATOM 1434 OH TYR A 109 9.829 -5.395 3.074 1.00 0.00 O ATOM 0 H TYR A 109 10.974 -0.291 -2.251 1.00 0.00 H new ATOM 0 HA TYR A 109 13.046 -0.030 -0.213 1.00 0.00 H new ATOM 0 HB2 TYR A 109 11.129 0.163 0.933 1.00 0.00 H new ATOM 0 HB3 TYR A 109 10.175 -0.412 -0.420 1.00 0.00 H new ATOM 0 HD1 TYR A 109 12.662 -2.107 1.853 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.708 -2.041 0.275 1.00 0.00 H new ATOM 0 HE1 TYR A 109 12.136 -4.156 3.092 1.00 0.00 H new ATOM 0 HE2 TYR A 109 8.178 -4.089 1.513 1.00 0.00 H new ATOM 0 HH TYR A 109 10.097 -5.288 4.011 1.00 0.00 H new ATOM 1444 N ASN A 110 12.287 -2.927 -1.561 1.00 0.00 N ATOM 1445 CA ASN A 110 12.782 -4.291 -1.716 1.00 0.00 C ATOM 1446 C ASN A 110 14.264 -4.284 -2.074 1.00 0.00 C ATOM 1447 O ASN A 110 15.050 -5.065 -1.537 1.00 0.00 O ATOM 1448 CB ASN A 110 11.983 -5.034 -2.789 1.00 0.00 C ATOM 1449 CG ASN A 110 10.731 -5.682 -2.232 1.00 0.00 C ATOM 1450 OD1 ASN A 110 10.714 -6.152 -1.094 1.00 0.00 O ATOM 1451 ND2 ASN A 110 9.672 -5.709 -3.033 1.00 0.00 N ATOM 0 H ASN A 110 11.459 -2.709 -2.115 1.00 0.00 H new ATOM 0 HA ASN A 110 12.655 -4.810 -0.766 1.00 0.00 H new ATOM 0 HB2 ASN A 110 11.707 -4.337 -3.580 1.00 0.00 H new ATOM 0 HB3 ASN A 110 12.613 -5.799 -3.243 1.00 0.00 H new ATOM 0 HD21 ASN A 110 8.801 -6.131 -2.712 1.00 0.00 H new ATOM 0 HD22 ASN A 110 9.730 -5.308 -3.969 1.00 0.00 H new ATOM 1458 N GLN A 111 14.649 -3.385 -2.970 1.00 0.00 N ATOM 1459 CA GLN A 111 16.046 -3.281 -3.365 1.00 0.00 C ATOM 1460 C GLN A 111 16.883 -2.831 -2.179 1.00 0.00 C ATOM 1461 O GLN A 111 17.825 -3.510 -1.773 1.00 0.00 O ATOM 1462 CB GLN A 111 16.227 -2.300 -4.526 1.00 0.00 C ATOM 1463 CG GLN A 111 15.558 -0.950 -4.327 1.00 0.00 C ATOM 1464 CD GLN A 111 15.375 -0.200 -5.632 1.00 0.00 C ATOM 1465 OE1 GLN A 111 14.321 -0.276 -6.264 1.00 0.00 O ATOM 1466 NE2 GLN A 111 16.407 0.526 -6.044 1.00 0.00 N ATOM 0 H GLN A 111 14.023 -2.726 -3.432 1.00 0.00 H new ATOM 0 HA GLN A 111 16.377 -4.265 -3.698 1.00 0.00 H new ATOM 0 HB2 GLN A 111 17.293 -2.142 -4.687 1.00 0.00 H new ATOM 0 HB3 GLN A 111 15.832 -2.756 -5.434 1.00 0.00 H new ATOM 0 HG2 GLN A 111 14.586 -1.095 -3.854 1.00 0.00 H new ATOM 0 HG3 GLN A 111 16.158 -0.347 -3.645 1.00 0.00 H new ATOM 0 HE21 GLN A 111 17.261 0.560 -5.488 1.00 0.00 H new ATOM 0 HE22 GLN A 111 16.346 1.050 -6.917 1.00 0.00 H new ATOM 1475 N ARG A 112 16.514 -1.683 -1.624 1.00 0.00 N ATOM 1476 CA ARG A 112 17.206 -1.115 -0.473 1.00 0.00 C ATOM 1477 C ARG A 112 17.390 -2.156 0.624 1.00 0.00 C ATOM 1478 O ARG A 112 18.446 -2.230 1.253 1.00 0.00 O ATOM 1479 CB ARG A 112 16.418 0.076 0.074 1.00 0.00 C ATOM 1480 CG ARG A 112 16.956 1.422 -0.378 1.00 0.00 C ATOM 1481 CD ARG A 112 16.885 2.453 0.738 1.00 0.00 C ATOM 1482 NE ARG A 112 16.308 3.716 0.282 1.00 0.00 N ATOM 1483 CZ ARG A 112 15.007 3.905 0.076 1.00 0.00 C ATOM 1484 NH1 ARG A 112 14.145 2.917 0.284 1.00 0.00 N ATOM 1485 NH2 ARG A 112 14.566 5.084 -0.339 1.00 0.00 N ATOM 0 H ARG A 112 15.730 -1.121 -1.957 1.00 0.00 H new ATOM 0 HA ARG A 112 18.191 -0.782 -0.800 1.00 0.00 H new ATOM 0 HB2 ARG A 112 15.378 -0.013 -0.239 1.00 0.00 H new ATOM 0 HB3 ARG A 112 16.428 0.038 1.163 1.00 0.00 H new ATOM 0 HG2 ARG A 112 17.989 1.310 -0.707 1.00 0.00 H new ATOM 0 HG3 ARG A 112 16.385 1.774 -1.237 1.00 0.00 H new ATOM 0 HD2 ARG A 112 16.288 2.057 1.559 1.00 0.00 H new ATOM 0 HD3 ARG A 112 17.886 2.633 1.130 1.00 0.00 H new ATOM 0 HE ARG A 112 16.940 4.499 0.112 1.00 0.00 H new ATOM 0 HH11 ARG A 112 14.479 2.008 0.603 1.00 0.00 H new ATOM 0 HH12 ARG A 112 13.149 3.067 0.125 1.00 0.00 H new ATOM 0 HH21 ARG A 112 15.224 5.847 -0.501 1.00 0.00 H new ATOM 0 HH22 ARG A 112 13.569 5.229 -0.497 1.00 0.00 H new ATOM 1499 N LYS A 113 16.355 -2.956 0.851 1.00 0.00 N ATOM 1500 CA LYS A 113 16.409 -3.989 1.878 1.00 0.00 C ATOM 1501 C LYS A 113 17.510 -5.000 1.565 1.00 0.00 C ATOM 1502 O LYS A 113 18.104 -5.588 2.468 1.00 0.00 O ATOM 1503 CB LYS A 113 15.041 -4.679 2.029 1.00 0.00 C ATOM 1504 CG LYS A 113 14.786 -5.829 1.062 1.00 0.00 C ATOM 1505 CD LYS A 113 14.110 -6.998 1.757 1.00 0.00 C ATOM 1506 CE LYS A 113 12.599 -6.844 1.746 1.00 0.00 C ATOM 1507 NZ LYS A 113 11.975 -7.396 2.980 1.00 0.00 N ATOM 0 H LYS A 113 15.473 -2.910 0.341 1.00 0.00 H new ATOM 0 HA LYS A 113 16.649 -3.518 2.831 1.00 0.00 H new ATOM 0 HB2 LYS A 113 14.952 -5.055 3.048 1.00 0.00 H new ATOM 0 HB3 LYS A 113 14.258 -3.932 1.895 1.00 0.00 H new ATOM 0 HG2 LYS A 113 14.161 -5.482 0.239 1.00 0.00 H new ATOM 0 HG3 LYS A 113 15.730 -6.158 0.629 1.00 0.00 H new ATOM 0 HD2 LYS A 113 14.387 -7.929 1.262 1.00 0.00 H new ATOM 0 HD3 LYS A 113 14.464 -7.067 2.786 1.00 0.00 H new ATOM 0 HE2 LYS A 113 12.342 -5.789 1.650 1.00 0.00 H new ATOM 0 HE3 LYS A 113 12.189 -7.352 0.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 11.133 -6.836 3.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 11.697 -8.385 2.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 12.658 -7.353 3.763 1.00 0.00 H new ATOM 1521 N SER A 114 17.780 -5.188 0.276 1.00 0.00 N ATOM 1522 CA SER A 114 18.815 -6.117 -0.162 1.00 0.00 C ATOM 1523 C SER A 114 20.197 -5.472 -0.075 1.00 0.00 C ATOM 1524 O SER A 114 21.210 -6.165 0.024 1.00 0.00 O ATOM 1525 CB SER A 114 18.543 -6.573 -1.595 1.00 0.00 C ATOM 1526 OG SER A 114 19.402 -7.638 -1.964 1.00 0.00 O ATOM 0 H SER A 114 17.296 -4.709 -0.483 1.00 0.00 H new ATOM 0 HA SER A 114 18.796 -6.984 0.499 1.00 0.00 H new ATOM 0 HB2 SER A 114 17.504 -6.891 -1.688 1.00 0.00 H new ATOM 0 HB3 SER A 114 18.682 -5.736 -2.279 1.00 0.00 H new ATOM 0 HG SER A 114 19.207 -7.912 -2.884 1.00 0.00 H new