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= -1.26! USER MOD Set 1.2: A 110 ASN : amide:sc= -1.82 K(o=-3.4,f=-4.3!) USER MOD Set 1.3: A 113 LYS NZ :NH3+ -151:sc= -0.362 (180deg=-1.65!) USER MOD Set 2.1: A 102 TYR OH : rot -165:sc= -6.45! USER MOD Set 2.2: A 106 GLN : amide:sc= -2.13 K(o=-8.6,f=-9.2!) USER MOD Set 3.1: A 27 THR OG1 : rot -174:sc= -2.46! USER MOD Set 3.2: A 88 ASN : amide:sc= -0.795 X(o=-3.3,f=-3) USER MOD Set 4.1: A 40 GLN : amide:sc= -0.171 K(o=-3,f=-5.7!) USER MOD Set 4.2: A 72 CYS SG : rot 25:sc= -2.84! 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= 0.0882 X(o=0.088,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -70:sc= -0.731 USER MOD Single : A 46 LYS NZ :NH3+ -107:sc= -0.539 (180deg=-2.5!) USER MOD Single : A 48 CYS SG : rot -53:sc= -9.95! USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -177:sc= 0.00727 (180deg=0.00667) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= -3.59! (180deg=-3.59!) USER MOD Single : A 66 THR OG1 : rot -49:sc= 0.926 USER MOD Single : A 71 ASN : amide:sc= -3.38 K(o=-3.4,f=-2.8!) 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+ -163:sc= -0.0103 (180deg=-0.152) USER MOD Single : A 81 SER OG : rot 84:sc= 0.268 USER MOD Single : A 82 ASN : amide:sc= -4.57! K(o=-4.6!,f=-2.3) USER MOD Single : A 86 HIS : no HD1:sc= -2.09! K(o=-2.1!,f=-0.98) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 162:sc= -0.016 (180deg=-0.198) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0.0044) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 THR OG1 : rot 112:sc= 1.08 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= -0.487 X(o=-0.49,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 111 GLN : amide:sc= -1.8 K(o=-1.8,f=-2.8!) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 70 N THR A 27 -19.705 4.235 -5.845 1.00 0.00 N ATOM 71 CA THR A 27 -18.388 4.147 -6.445 1.00 0.00 C ATOM 72 C THR A 27 -17.492 5.260 -5.903 1.00 0.00 C ATOM 73 O THR A 27 -16.274 5.108 -5.824 1.00 0.00 O ATOM 74 CB THR A 27 -18.503 4.213 -7.973 1.00 0.00 C ATOM 75 OG1 THR A 27 -18.268 2.939 -8.546 1.00 0.00 O ATOM 76 CG2 THR A 27 -17.543 5.184 -8.616 1.00 0.00 C ATOM 0 HA THR A 27 -17.932 3.192 -6.184 1.00 0.00 H new ATOM 0 HB THR A 27 -19.519 4.559 -8.165 1.00 0.00 H new ATOM 0 HG1 THR A 27 -18.251 3.018 -9.523 1.00 0.00 H new ATOM 0 HG21 THR A 27 -17.685 5.174 -9.697 1.00 0.00 H new ATOM 0 HG22 THR A 27 -17.731 6.188 -8.235 1.00 0.00 H new ATOM 0 HG23 THR A 27 -16.519 4.892 -8.382 1.00 0.00 H new ATOM 84 N LYS A 28 -18.108 6.373 -5.513 1.00 0.00 N ATOM 85 CA LYS A 28 -17.364 7.495 -4.959 1.00 0.00 C ATOM 86 C LYS A 28 -16.682 7.065 -3.667 1.00 0.00 C ATOM 87 O LYS A 28 -15.539 7.435 -3.397 1.00 0.00 O ATOM 88 CB LYS A 28 -18.295 8.683 -4.700 1.00 0.00 C ATOM 89 CG LYS A 28 -18.063 9.853 -5.644 1.00 0.00 C ATOM 90 CD LYS A 28 -18.023 11.179 -4.899 1.00 0.00 C ATOM 91 CE LYS A 28 -19.241 12.033 -5.211 1.00 0.00 C ATOM 92 NZ LYS A 28 -19.043 12.857 -6.436 1.00 0.00 N ATOM 0 H LYS A 28 -19.116 6.520 -5.571 1.00 0.00 H new ATOM 0 HA LYS A 28 -16.607 7.808 -5.678 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -19.329 8.351 -4.793 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -18.160 9.023 -3.673 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -17.125 9.708 -6.179 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -18.856 9.880 -6.392 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.974 10.993 -3.826 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -17.118 11.722 -5.170 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -20.111 11.390 -5.343 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -19.453 12.686 -4.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -19.896 13.425 -6.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -18.228 13.489 -6.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.866 12.233 -7.249 1.00 0.00 H new ATOM 106 N GLU A 29 -17.391 6.258 -2.883 1.00 0.00 N ATOM 107 CA GLU A 29 -16.858 5.748 -1.629 1.00 0.00 C ATOM 108 C GLU A 29 -15.642 4.873 -1.902 1.00 0.00 C ATOM 109 O GLU A 29 -14.698 4.831 -1.114 1.00 0.00 O ATOM 110 CB GLU A 29 -17.927 4.947 -0.883 1.00 0.00 C ATOM 111 CG GLU A 29 -18.689 5.761 0.149 1.00 0.00 C ATOM 112 CD GLU A 29 -17.905 5.955 1.432 1.00 0.00 C ATOM 113 OE1 GLU A 29 -17.598 4.944 2.098 1.00 0.00 O ATOM 114 OE2 GLU A 29 -17.599 7.118 1.771 1.00 0.00 O ATOM 0 H GLU A 29 -18.338 5.944 -3.097 1.00 0.00 H new ATOM 0 HA GLU A 29 -16.558 6.590 -1.005 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -18.634 4.540 -1.606 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -17.454 4.099 -0.387 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -18.936 6.735 -0.272 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -19.632 5.263 0.375 1.00 0.00 H new ATOM 121 N LEU A 30 -15.670 4.182 -3.037 1.00 0.00 N ATOM 122 CA LEU A 30 -14.567 3.318 -3.428 1.00 0.00 C ATOM 123 C LEU A 30 -13.312 4.147 -3.672 1.00 0.00 C ATOM 124 O LEU A 30 -12.240 3.840 -3.151 1.00 0.00 O ATOM 125 CB LEU A 30 -14.939 2.521 -4.683 1.00 0.00 C ATOM 126 CG LEU A 30 -13.763 2.019 -5.524 1.00 0.00 C ATOM 127 CD1 LEU A 30 -12.976 0.965 -4.761 1.00 0.00 C ATOM 128 CD2 LEU A 30 -14.257 1.466 -6.852 1.00 0.00 C ATOM 0 H LEU A 30 -16.445 4.205 -3.700 1.00 0.00 H new ATOM 0 HA LEU A 30 -14.365 2.615 -2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -15.538 1.662 -4.381 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -15.572 3.146 -5.313 1.00 0.00 H new ATOM 0 HG LEU A 30 -13.099 2.859 -5.729 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.143 0.619 -5.373 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -12.592 1.396 -3.836 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -13.628 0.124 -4.526 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.408 1.113 -7.438 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -14.941 0.637 -6.669 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -14.776 2.251 -7.402 1.00 0.00 H new ATOM 140 N SER A 31 -13.457 5.209 -4.460 1.00 0.00 N ATOM 141 CA SER A 31 -12.338 6.093 -4.762 1.00 0.00 C ATOM 142 C SER A 31 -11.715 6.616 -3.471 1.00 0.00 C ATOM 143 O SER A 31 -10.531 6.949 -3.434 1.00 0.00 O ATOM 144 CB SER A 31 -12.800 7.263 -5.632 1.00 0.00 C ATOM 145 OG SER A 31 -11.704 7.877 -6.287 1.00 0.00 O ATOM 0 H SER A 31 -14.337 5.477 -4.900 1.00 0.00 H new ATOM 0 HA SER A 31 -11.588 5.524 -5.311 1.00 0.00 H new ATOM 0 HB2 SER A 31 -13.517 6.908 -6.372 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.316 7.998 -5.014 1.00 0.00 H new ATOM 0 HG SER A 31 -12.027 8.621 -6.838 1.00 0.00 H new ATOM 151 N ASN A 32 -12.517 6.671 -2.408 1.00 0.00 N ATOM 152 CA ASN A 32 -12.031 7.136 -1.116 1.00 0.00 C ATOM 153 C ASN A 32 -11.050 6.122 -0.543 1.00 0.00 C ATOM 154 O ASN A 32 -10.013 6.489 0.010 1.00 0.00 O ATOM 155 CB ASN A 32 -13.194 7.359 -0.146 1.00 0.00 C ATOM 156 CG ASN A 32 -13.630 8.810 -0.092 1.00 0.00 C ATOM 157 OD1 ASN A 32 -13.051 9.618 0.634 1.00 0.00 O ATOM 158 ND2 ASN A 32 -14.656 9.148 -0.864 1.00 0.00 N ATOM 0 H ASN A 32 -13.500 6.400 -2.419 1.00 0.00 H new ATOM 0 HA ASN A 32 -11.521 8.089 -1.256 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -14.039 6.739 -0.447 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -12.899 7.033 0.852 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -14.994 10.110 -0.871 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -15.106 8.445 -1.450 1.00 0.00 H new ATOM 165 N LEU A 33 -11.370 4.840 -0.709 1.00 0.00 N ATOM 166 CA LEU A 33 -10.499 3.774 -0.237 1.00 0.00 C ATOM 167 C LEU A 33 -9.258 3.728 -1.112 1.00 0.00 C ATOM 168 O LEU A 33 -8.134 3.642 -0.623 1.00 0.00 O ATOM 169 CB LEU A 33 -11.217 2.421 -0.279 1.00 0.00 C ATOM 170 CG LEU A 33 -12.713 2.463 0.042 1.00 0.00 C ATOM 171 CD1 LEU A 33 -13.380 1.168 -0.386 1.00 0.00 C ATOM 172 CD2 LEU A 33 -12.934 2.720 1.524 1.00 0.00 C ATOM 0 H LEU A 33 -12.224 4.518 -1.166 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.220 3.976 0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.087 1.990 -1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.730 1.748 0.426 1.00 0.00 H new ATOM 0 HG LEU A 33 -13.166 3.283 -0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -14.444 1.212 -0.152 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -13.250 1.029 -1.459 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.926 0.332 0.145 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -14.003 2.747 1.733 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.470 1.923 2.105 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.487 3.676 1.798 1.00 0.00 H new ATOM 184 N ILE A 34 -9.482 3.816 -2.416 1.00 0.00 N ATOM 185 CA ILE A 34 -8.400 3.818 -3.384 1.00 0.00 C ATOM 186 C ILE A 34 -7.513 5.037 -3.163 1.00 0.00 C ATOM 187 O ILE A 34 -6.286 4.940 -3.182 1.00 0.00 O ATOM 188 CB ILE A 34 -8.958 3.831 -4.823 1.00 0.00 C ATOM 189 CG1 ILE A 34 -9.544 2.465 -5.175 1.00 0.00 C ATOM 190 CG2 ILE A 34 -7.889 4.228 -5.831 1.00 0.00 C ATOM 191 CD1 ILE A 34 -10.240 2.433 -6.516 1.00 0.00 C ATOM 0 H ILE A 34 -10.412 3.887 -2.828 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.811 2.911 -3.249 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.750 4.578 -4.869 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -8.744 1.724 -5.172 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.252 2.172 -4.400 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.316 4.227 -6.834 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.519 5.226 -5.595 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.065 3.516 -5.787 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.631 1.432 -6.699 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -11.062 3.149 -6.517 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.530 2.694 -7.301 1.00 0.00 H new ATOM 203 N GLU A 35 -8.148 6.185 -2.951 1.00 0.00 N ATOM 204 CA GLU A 35 -7.426 7.428 -2.721 1.00 0.00 C ATOM 205 C GLU A 35 -6.429 7.260 -1.583 1.00 0.00 C ATOM 206 O GLU A 35 -5.338 7.833 -1.608 1.00 0.00 O ATOM 207 CB GLU A 35 -8.402 8.562 -2.400 1.00 0.00 C ATOM 208 CG GLU A 35 -8.891 9.310 -3.630 1.00 0.00 C ATOM 209 CD GLU A 35 -8.048 10.531 -3.944 1.00 0.00 C ATOM 210 OE1 GLU A 35 -8.161 11.535 -3.210 1.00 0.00 O ATOM 211 OE2 GLU A 35 -7.275 10.483 -4.924 1.00 0.00 O ATOM 0 H GLU A 35 -9.164 6.279 -2.934 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.881 7.682 -3.630 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.261 8.152 -1.869 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.917 9.267 -1.725 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.882 8.637 -4.487 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -9.926 9.617 -3.476 1.00 0.00 H new ATOM 218 N THR A 36 -6.797 6.450 -0.594 1.00 0.00 N ATOM 219 CA THR A 36 -5.913 6.199 0.533 1.00 0.00 C ATOM 220 C THR A 36 -4.850 5.193 0.119 1.00 0.00 C ATOM 221 O THR A 36 -3.690 5.304 0.508 1.00 0.00 O ATOM 222 CB THR A 36 -6.702 5.715 1.761 1.00 0.00 C ATOM 223 OG1 THR A 36 -6.016 6.044 2.955 1.00 0.00 O ATOM 224 CG2 THR A 36 -6.967 4.222 1.793 1.00 0.00 C ATOM 0 H THR A 36 -7.692 5.962 -0.552 1.00 0.00 H new ATOM 0 HA THR A 36 -5.424 7.130 0.821 1.00 0.00 H new ATOM 0 HB THR A 36 -7.662 6.225 1.684 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.533 5.730 3.726 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.528 3.971 2.693 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.545 3.936 0.914 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.019 3.684 1.795 1.00 0.00 H new ATOM 232 N PHE A 37 -5.253 4.229 -0.705 1.00 0.00 N ATOM 233 CA PHE A 37 -4.330 3.224 -1.203 1.00 0.00 C ATOM 234 C PHE A 37 -3.247 3.907 -2.015 1.00 0.00 C ATOM 235 O PHE A 37 -2.065 3.595 -1.890 1.00 0.00 O ATOM 236 CB PHE A 37 -5.069 2.199 -2.063 1.00 0.00 C ATOM 237 CG PHE A 37 -4.363 0.875 -2.196 1.00 0.00 C ATOM 238 CD1 PHE A 37 -3.436 0.443 -1.250 1.00 0.00 C ATOM 239 CD2 PHE A 37 -4.631 0.060 -3.280 1.00 0.00 C ATOM 240 CE1 PHE A 37 -2.798 -0.775 -1.396 1.00 0.00 C ATOM 241 CE2 PHE A 37 -3.995 -1.156 -3.427 1.00 0.00 C ATOM 242 CZ PHE A 37 -3.078 -1.573 -2.484 1.00 0.00 C ATOM 0 H PHE A 37 -6.211 4.126 -1.039 1.00 0.00 H new ATOM 0 HA PHE A 37 -3.879 2.698 -0.361 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.057 2.029 -1.636 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -5.220 2.618 -3.058 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -3.214 1.065 -0.395 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -5.348 0.379 -4.022 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.080 -1.101 -0.658 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.215 -1.781 -4.280 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.580 -2.524 -2.599 1.00 0.00 H new ATOM 252 N ALA A 38 -3.666 4.870 -2.831 1.00 0.00 N ATOM 253 CA ALA A 38 -2.737 5.635 -3.644 1.00 0.00 C ATOM 254 C ALA A 38 -1.734 6.341 -2.744 1.00 0.00 C ATOM 255 O ALA A 38 -0.563 6.486 -3.090 1.00 0.00 O ATOM 256 CB ALA A 38 -3.488 6.641 -4.502 1.00 0.00 C ATOM 0 H ALA A 38 -4.644 5.136 -2.944 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.200 4.957 -4.308 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.778 7.206 -5.105 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.182 6.114 -5.157 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -4.043 7.324 -3.860 1.00 0.00 H new ATOM 262 N GLU A 39 -2.204 6.755 -1.568 1.00 0.00 N ATOM 263 CA GLU A 39 -1.348 7.419 -0.598 1.00 0.00 C ATOM 264 C GLU A 39 -0.483 6.377 0.103 1.00 0.00 C ATOM 265 O GLU A 39 0.719 6.568 0.286 1.00 0.00 O ATOM 266 CB GLU A 39 -2.200 8.204 0.413 1.00 0.00 C ATOM 267 CG GLU A 39 -1.717 8.108 1.854 1.00 0.00 C ATOM 268 CD GLU A 39 -2.199 9.264 2.709 1.00 0.00 C ATOM 269 OE1 GLU A 39 -3.308 9.775 2.445 1.00 0.00 O ATOM 270 OE2 GLU A 39 -1.468 9.658 3.641 1.00 0.00 O ATOM 0 H GLU A 39 -3.172 6.640 -1.268 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.698 8.130 -1.107 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.217 9.253 0.118 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.227 7.842 0.362 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.064 7.170 2.288 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.627 8.081 1.867 1.00 0.00 H new ATOM 277 N GLN A 40 -1.108 5.263 0.473 1.00 0.00 N ATOM 278 CA GLN A 40 -0.407 4.174 1.130 1.00 0.00 C ATOM 279 C GLN A 40 0.651 3.605 0.195 1.00 0.00 C ATOM 280 O GLN A 40 1.726 3.192 0.630 1.00 0.00 O ATOM 281 CB GLN A 40 -1.391 3.077 1.542 1.00 0.00 C ATOM 282 CG GLN A 40 -2.542 3.581 2.397 1.00 0.00 C ATOM 283 CD GLN A 40 -2.279 3.427 3.880 1.00 0.00 C ATOM 284 OE1 GLN A 40 -1.223 2.946 4.291 1.00 0.00 O ATOM 285 NE2 GLN A 40 -3.245 3.836 4.691 1.00 0.00 N ATOM 0 H GLN A 40 -2.103 5.094 0.326 1.00 0.00 H new ATOM 0 HA GLN A 40 0.078 4.558 2.028 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.794 2.607 0.645 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.852 2.305 2.091 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.724 4.632 2.172 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -3.449 3.037 2.135 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.103 4.228 4.304 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -3.130 3.758 5.701 1.00 0.00 H new ATOM 294 N SER A 41 0.341 3.605 -1.100 1.00 0.00 N ATOM 295 CA SER A 41 1.266 3.110 -2.110 1.00 0.00 C ATOM 296 C SER A 41 2.556 3.911 -2.053 1.00 0.00 C ATOM 297 O SER A 41 3.638 3.359 -1.860 1.00 0.00 O ATOM 298 CB SER A 41 0.644 3.217 -3.503 1.00 0.00 C ATOM 299 OG SER A 41 0.692 4.550 -3.982 1.00 0.00 O ATOM 0 H SER A 41 -0.546 3.944 -1.472 1.00 0.00 H new ATOM 0 HA SER A 41 1.482 2.061 -1.909 1.00 0.00 H new ATOM 0 HB2 SER A 41 1.174 2.560 -4.193 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.391 2.876 -3.470 1.00 0.00 H new ATOM 0 HG SER A 41 0.071 5.106 -3.466 1.00 0.00 H new ATOM 305 N ARG A 42 2.425 5.225 -2.194 1.00 0.00 N ATOM 306 CA ARG A 42 3.579 6.112 -2.128 1.00 0.00 C ATOM 307 C ARG A 42 4.231 5.988 -0.760 1.00 0.00 C ATOM 308 O ARG A 42 5.441 6.144 -0.617 1.00 0.00 O ATOM 309 CB ARG A 42 3.179 7.571 -2.383 1.00 0.00 C ATOM 310 CG ARG A 42 1.964 7.739 -3.283 1.00 0.00 C ATOM 311 CD ARG A 42 2.130 8.909 -4.240 1.00 0.00 C ATOM 312 NE ARG A 42 1.103 9.929 -4.041 1.00 0.00 N ATOM 313 CZ ARG A 42 -0.139 9.831 -4.508 1.00 0.00 C ATOM 314 NH1 ARG A 42 -0.513 8.762 -5.200 1.00 0.00 N ATOM 315 NH2 ARG A 42 -1.010 10.805 -4.282 1.00 0.00 N ATOM 0 H ARG A 42 1.535 5.698 -2.354 1.00 0.00 H new ATOM 0 HA ARG A 42 4.284 5.818 -2.905 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.977 8.053 -1.426 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.024 8.094 -2.831 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.803 6.823 -3.852 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.076 7.893 -2.670 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.115 9.354 -4.101 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.087 8.546 -5.267 1.00 0.00 H new ATOM 0 HE ARG A 42 1.353 10.765 -3.513 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.153 8.010 -5.376 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.467 8.693 -5.555 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.728 11.629 -3.751 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.962 10.731 -4.640 1.00 0.00 H new ATOM 329 N VAL A 43 3.413 5.688 0.244 1.00 0.00 N ATOM 330 CA VAL A 43 3.903 5.518 1.600 1.00 0.00 C ATOM 331 C VAL A 43 4.805 4.295 1.674 1.00 0.00 C ATOM 332 O VAL A 43 5.945 4.378 2.124 1.00 0.00 O ATOM 333 CB VAL A 43 2.738 5.376 2.604 1.00 0.00 C ATOM 334 CG1 VAL A 43 3.146 4.554 3.817 1.00 0.00 C ATOM 335 CG2 VAL A 43 2.247 6.745 3.036 1.00 0.00 C ATOM 0 H VAL A 43 2.407 5.558 0.140 1.00 0.00 H new ATOM 0 HA VAL A 43 4.473 6.407 1.869 1.00 0.00 H new ATOM 0 HB VAL A 43 1.926 4.849 2.102 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.303 4.474 4.503 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.448 3.557 3.496 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.980 5.041 4.323 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.426 6.630 3.744 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.062 7.291 3.511 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.900 7.299 2.164 1.00 0.00 H new ATOM 345 N LEU A 44 4.301 3.157 1.211 1.00 0.00 N ATOM 346 CA LEU A 44 5.090 1.936 1.219 1.00 0.00 C ATOM 347 C LEU A 44 6.436 2.209 0.564 1.00 0.00 C ATOM 348 O LEU A 44 7.479 1.885 1.117 1.00 0.00 O ATOM 349 CB LEU A 44 4.348 0.804 0.488 1.00 0.00 C ATOM 350 CG LEU A 44 4.213 -0.536 1.241 1.00 0.00 C ATOM 351 CD1 LEU A 44 5.301 -1.510 0.815 1.00 0.00 C ATOM 352 CD2 LEU A 44 4.241 -0.345 2.753 1.00 0.00 C ATOM 0 H LEU A 44 3.360 3.056 0.830 1.00 0.00 H new ATOM 0 HA LEU A 44 5.249 1.616 2.249 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.347 1.158 0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.861 0.614 -0.455 1.00 0.00 H new ATOM 0 HG LEU A 44 3.242 -0.954 0.976 1.00 0.00 H new ATOM 0 HD11 LEU A 44 5.184 -2.447 1.360 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.220 -1.700 -0.255 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.279 -1.082 1.035 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.143 -1.313 3.244 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.185 0.116 3.044 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.415 0.299 3.054 1.00 0.00 H new ATOM 364 N GLU A 45 6.405 2.842 -0.602 1.00 0.00 N ATOM 365 CA GLU A 45 7.635 3.178 -1.304 1.00 0.00 C ATOM 366 C GLU A 45 8.465 4.164 -0.481 1.00 0.00 C ATOM 367 O GLU A 45 9.693 4.178 -0.566 1.00 0.00 O ATOM 368 CB GLU A 45 7.322 3.741 -2.702 1.00 0.00 C ATOM 369 CG GLU A 45 7.309 5.262 -2.790 1.00 0.00 C ATOM 370 CD GLU A 45 8.615 5.826 -3.313 1.00 0.00 C ATOM 371 OE1 GLU A 45 9.651 5.647 -2.639 1.00 0.00 O ATOM 372 OE2 GLU A 45 8.602 6.447 -4.397 1.00 0.00 O ATOM 0 H GLU A 45 5.550 3.130 -1.077 1.00 0.00 H new ATOM 0 HA GLU A 45 8.224 2.270 -1.435 1.00 0.00 H new ATOM 0 HB2 GLU A 45 8.060 3.357 -3.407 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.350 3.364 -3.021 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.494 5.578 -3.442 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.107 5.678 -1.803 1.00 0.00 H new ATOM 379 N LYS A 46 7.785 4.981 0.325 1.00 0.00 N ATOM 380 CA LYS A 46 8.465 5.958 1.170 1.00 0.00 C ATOM 381 C LYS A 46 9.144 5.258 2.341 1.00 0.00 C ATOM 382 O LYS A 46 10.334 5.452 2.591 1.00 0.00 O ATOM 383 CB LYS A 46 7.479 7.035 1.658 1.00 0.00 C ATOM 384 CG LYS A 46 6.966 6.846 3.085 1.00 0.00 C ATOM 385 CD LYS A 46 6.031 7.968 3.501 1.00 0.00 C ATOM 386 CE LYS A 46 5.480 7.737 4.900 1.00 0.00 C ATOM 387 NZ LYS A 46 4.312 8.613 5.189 1.00 0.00 N ATOM 0 H LYS A 46 6.768 4.984 0.409 1.00 0.00 H new ATOM 0 HA LYS A 46 9.234 6.457 0.580 1.00 0.00 H new ATOM 0 HB2 LYS A 46 7.965 8.008 1.589 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.625 7.057 0.981 1.00 0.00 H new ATOM 0 HG2 LYS A 46 6.445 5.892 3.161 1.00 0.00 H new ATOM 0 HG3 LYS A 46 7.811 6.803 3.772 1.00 0.00 H new ATOM 0 HD2 LYS A 46 6.563 8.919 3.470 1.00 0.00 H new ATOM 0 HD3 LYS A 46 5.207 8.040 2.791 1.00 0.00 H new ATOM 0 HE2 LYS A 46 5.186 6.693 5.006 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.264 7.923 5.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.595 9.361 5.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.975 9.045 4.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.549 8.046 5.610 1.00 0.00 H new ATOM 401 N GLU A 47 8.389 4.426 3.046 1.00 0.00 N ATOM 402 CA GLU A 47 8.938 3.688 4.171 1.00 0.00 C ATOM 403 C GLU A 47 9.901 2.624 3.668 1.00 0.00 C ATOM 404 O GLU A 47 10.906 2.327 4.311 1.00 0.00 O ATOM 405 CB GLU A 47 7.821 3.039 4.986 1.00 0.00 C ATOM 406 CG GLU A 47 7.006 4.021 5.811 1.00 0.00 C ATOM 407 CD GLU A 47 7.860 5.061 6.513 1.00 0.00 C ATOM 408 OE1 GLU A 47 8.973 4.712 6.961 1.00 0.00 O ATOM 409 OE2 GLU A 47 7.415 6.223 6.616 1.00 0.00 O ATOM 0 H GLU A 47 7.402 4.247 2.859 1.00 0.00 H new ATOM 0 HA GLU A 47 9.475 4.384 4.816 1.00 0.00 H new ATOM 0 HB2 GLU A 47 7.153 2.508 4.308 1.00 0.00 H new ATOM 0 HB3 GLU A 47 8.257 2.295 5.652 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.290 4.525 5.162 1.00 0.00 H new ATOM 0 HG3 GLU A 47 6.429 3.471 6.555 1.00 0.00 H new ATOM 416 N CYS A 48 9.586 2.063 2.504 1.00 0.00 N ATOM 417 CA CYS A 48 10.422 1.039 1.898 1.00 0.00 C ATOM 418 C CYS A 48 11.754 1.631 1.457 1.00 0.00 C ATOM 419 O CYS A 48 12.793 0.980 1.561 1.00 0.00 O ATOM 420 CB CYS A 48 9.710 0.398 0.705 1.00 0.00 C ATOM 421 SG CYS A 48 8.319 -0.664 1.162 1.00 0.00 S ATOM 0 H CYS A 48 8.755 2.303 1.963 1.00 0.00 H new ATOM 0 HA CYS A 48 10.611 0.268 2.645 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.350 1.186 0.044 1.00 0.00 H new ATOM 0 HB3 CYS A 48 10.431 -0.190 0.137 1.00 0.00 H new ATOM 0 HG CYS A 48 8.710 -1.537 2.042 1.00 0.00 H new ATOM 427 N THR A 49 11.726 2.874 0.979 1.00 0.00 N ATOM 428 CA THR A 49 12.954 3.531 0.549 1.00 0.00 C ATOM 429 C THR A 49 13.873 3.734 1.748 1.00 0.00 C ATOM 430 O THR A 49 15.097 3.725 1.618 1.00 0.00 O ATOM 431 CB THR A 49 12.653 4.866 -0.148 1.00 0.00 C ATOM 432 OG1 THR A 49 13.784 5.315 -0.872 1.00 0.00 O ATOM 433 CG2 THR A 49 12.245 5.982 0.793 1.00 0.00 C ATOM 0 H THR A 49 10.881 3.437 0.881 1.00 0.00 H new ATOM 0 HA THR A 49 13.458 2.893 -0.177 1.00 0.00 H new ATOM 0 HB THR A 49 11.809 4.652 -0.803 1.00 0.00 H new ATOM 0 HG1 THR A 49 13.575 6.166 -1.311 1.00 0.00 H new ATOM 0 HG21 THR A 49 12.051 6.889 0.220 1.00 0.00 H new ATOM 0 HG22 THR A 49 11.342 5.693 1.331 1.00 0.00 H new ATOM 0 HG23 THR A 49 13.048 6.169 1.506 1.00 0.00 H new ATOM 441 N LYS A 50 13.266 3.902 2.922 1.00 0.00 N ATOM 442 CA LYS A 50 14.017 4.091 4.154 1.00 0.00 C ATOM 443 C LYS A 50 14.598 2.766 4.645 1.00 0.00 C ATOM 444 O LYS A 50 15.571 2.747 5.398 1.00 0.00 O ATOM 445 CB LYS A 50 13.115 4.699 5.228 1.00 0.00 C ATOM 446 CG LYS A 50 12.635 6.098 4.886 1.00 0.00 C ATOM 447 CD LYS A 50 11.247 6.364 5.437 1.00 0.00 C ATOM 448 CE LYS A 50 10.940 7.851 5.470 1.00 0.00 C ATOM 449 NZ LYS A 50 10.141 8.229 6.668 1.00 0.00 N ATOM 0 H LYS A 50 12.253 3.910 3.042 1.00 0.00 H new ATOM 0 HA LYS A 50 14.843 4.773 3.952 1.00 0.00 H new ATOM 0 HB2 LYS A 50 12.251 4.052 5.376 1.00 0.00 H new ATOM 0 HB3 LYS A 50 13.657 4.729 6.173 1.00 0.00 H new ATOM 0 HG2 LYS A 50 13.333 6.831 5.289 1.00 0.00 H new ATOM 0 HG3 LYS A 50 12.628 6.226 3.804 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.506 5.851 4.824 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.168 5.952 6.443 1.00 0.00 H new ATOM 0 HE2 LYS A 50 11.873 8.414 5.464 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.395 8.129 4.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.910 9.242 6.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.262 7.674 6.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.692 8.035 7.528 1.00 0.00 H new ATOM 463 N ILE A 51 13.997 1.657 4.217 1.00 0.00 N ATOM 464 CA ILE A 51 14.464 0.337 4.618 1.00 0.00 C ATOM 465 C ILE A 51 15.909 0.112 4.190 1.00 0.00 C ATOM 466 O ILE A 51 16.299 0.434 3.068 1.00 0.00 O ATOM 467 CB ILE A 51 13.579 -0.781 4.025 1.00 0.00 C ATOM 468 CG1 ILE A 51 12.130 -0.595 4.487 1.00 0.00 C ATOM 469 CG2 ILE A 51 14.107 -2.162 4.422 1.00 0.00 C ATOM 470 CD1 ILE A 51 11.926 -0.853 5.962 1.00 0.00 C ATOM 0 H ILE A 51 13.189 1.649 3.595 1.00 0.00 H new ATOM 0 HA ILE A 51 14.401 0.297 5.705 1.00 0.00 H new ATOM 0 HB ILE A 51 13.611 -0.716 2.937 1.00 0.00 H new ATOM 0 HG12 ILE A 51 11.812 0.422 4.258 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.487 -1.266 3.917 1.00 0.00 H new ATOM 0 HG21 ILE A 51 13.467 -2.933 3.993 1.00 0.00 H new ATOM 0 HG22 ILE A 51 15.124 -2.284 4.048 1.00 0.00 H new ATOM 0 HG23 ILE A 51 14.106 -2.253 5.508 1.00 0.00 H new ATOM 0 HD11 ILE A 51 10.877 -0.702 6.216 1.00 0.00 H new ATOM 0 HD12 ILE A 51 12.212 -1.879 6.195 1.00 0.00 H new ATOM 0 HD13 ILE A 51 12.542 -0.164 6.540 1.00 0.00 H new ATOM 606 N LEU A 60 10.048 1.232 12.052 1.00 0.00 N ATOM 607 CA LEU A 60 9.629 1.437 10.674 1.00 0.00 C ATOM 608 C LEU A 60 9.077 0.138 10.098 1.00 0.00 C ATOM 609 O LEU A 60 7.925 0.085 9.670 1.00 0.00 O ATOM 610 CB LEU A 60 10.802 1.964 9.829 1.00 0.00 C ATOM 611 CG LEU A 60 10.938 1.368 8.422 1.00 0.00 C ATOM 612 CD1 LEU A 60 9.655 1.565 7.628 1.00 0.00 C ATOM 613 CD2 LEU A 60 12.119 1.993 7.692 1.00 0.00 C ATOM 0 HA LEU A 60 8.837 2.186 10.651 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.700 3.045 9.736 1.00 0.00 H new ATOM 0 HB3 LEU A 60 11.728 1.777 10.372 1.00 0.00 H new ATOM 0 HG LEU A 60 11.118 0.297 8.519 1.00 0.00 H new ATOM 0 HD11 LEU A 60 9.773 1.135 6.633 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.830 1.071 8.141 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.442 2.630 7.540 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.202 1.559 6.695 1.00 0.00 H new ATOM 0 HD22 LEU A 60 11.967 3.069 7.608 1.00 0.00 H new ATOM 0 HD23 LEU A 60 13.035 1.799 8.249 1.00 0.00 H new ATOM 625 N ARG A 61 9.896 -0.913 10.091 1.00 0.00 N ATOM 626 CA ARG A 61 9.456 -2.200 9.565 1.00 0.00 C ATOM 627 C ARG A 61 8.230 -2.687 10.327 1.00 0.00 C ATOM 628 O ARG A 61 7.330 -3.292 9.745 1.00 0.00 O ATOM 629 CB ARG A 61 10.572 -3.247 9.627 1.00 0.00 C ATOM 630 CG ARG A 61 11.465 -3.128 10.848 1.00 0.00 C ATOM 631 CD ARG A 61 12.837 -2.583 10.485 1.00 0.00 C ATOM 632 NE ARG A 61 13.436 -3.282 9.351 1.00 0.00 N ATOM 633 CZ ARG A 61 13.802 -4.564 9.369 1.00 0.00 C ATOM 634 NH1 ARG A 61 13.620 -5.305 10.454 1.00 0.00 N ATOM 635 NH2 ARG A 61 14.360 -5.104 8.295 1.00 0.00 N ATOM 0 H ARG A 61 10.855 -0.898 10.439 1.00 0.00 H new ATOM 0 HA ARG A 61 9.193 -2.059 8.516 1.00 0.00 H new ATOM 0 HB2 ARG A 61 10.125 -4.241 9.613 1.00 0.00 H new ATOM 0 HB3 ARG A 61 11.186 -3.161 8.731 1.00 0.00 H new ATOM 0 HG2 ARG A 61 10.995 -2.473 11.581 1.00 0.00 H new ATOM 0 HG3 ARG A 61 11.573 -4.106 11.317 1.00 0.00 H new ATOM 0 HD2 ARG A 61 12.752 -1.522 10.250 1.00 0.00 H new ATOM 0 HD3 ARG A 61 13.497 -2.666 11.348 1.00 0.00 H new ATOM 0 HE ARG A 61 13.584 -2.756 8.490 1.00 0.00 H new ATOM 0 HH11 ARG A 61 13.196 -4.895 11.286 1.00 0.00 H new ATOM 0 HH12 ARG A 61 13.904 -6.285 10.456 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.508 -4.539 7.459 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.641 -6.084 8.305 1.00 0.00 H new ATOM 649 N TYR A 62 8.180 -2.395 11.627 1.00 0.00 N ATOM 650 CA TYR A 62 7.035 -2.787 12.434 1.00 0.00 C ATOM 651 C TYR A 62 5.822 -1.992 11.986 1.00 0.00 C ATOM 652 O TYR A 62 4.783 -2.555 11.657 1.00 0.00 O ATOM 653 CB TYR A 62 7.306 -2.551 13.922 1.00 0.00 C ATOM 654 CG TYR A 62 7.564 -3.823 14.698 1.00 0.00 C ATOM 655 CD1 TYR A 62 6.512 -4.573 15.206 1.00 0.00 C ATOM 656 CD2 TYR A 62 8.859 -4.273 14.922 1.00 0.00 C ATOM 657 CE1 TYR A 62 6.742 -5.736 15.916 1.00 0.00 C ATOM 658 CE2 TYR A 62 9.098 -5.435 15.630 1.00 0.00 C ATOM 659 CZ TYR A 62 8.036 -6.163 16.125 1.00 0.00 C ATOM 660 OH TYR A 62 8.269 -7.320 16.831 1.00 0.00 O ATOM 0 H TYR A 62 8.910 -1.895 12.134 1.00 0.00 H new ATOM 0 HA TYR A 62 6.849 -3.852 12.297 1.00 0.00 H new ATOM 0 HB2 TYR A 62 8.167 -1.891 14.026 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.453 -2.034 14.361 1.00 0.00 H new ATOM 0 HD1 TYR A 62 5.497 -4.242 15.044 1.00 0.00 H new ATOM 0 HD2 TYR A 62 9.693 -3.705 14.536 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.912 -6.307 16.305 1.00 0.00 H new ATOM 0 HE2 TYR A 62 10.111 -5.772 15.795 1.00 0.00 H new ATOM 0 HH TYR A 62 9.234 -7.480 16.888 1.00 0.00 H new ATOM 670 N LYS A 63 5.977 -0.676 11.943 1.00 0.00 N ATOM 671 CA LYS A 63 4.906 0.202 11.499 1.00 0.00 C ATOM 672 C LYS A 63 4.502 -0.169 10.074 1.00 0.00 C ATOM 673 O LYS A 63 3.336 -0.074 9.696 1.00 0.00 O ATOM 674 CB LYS A 63 5.374 1.662 11.569 1.00 0.00 C ATOM 675 CG LYS A 63 4.493 2.643 10.809 1.00 0.00 C ATOM 676 CD LYS A 63 5.310 3.788 10.233 1.00 0.00 C ATOM 677 CE LYS A 63 5.517 3.626 8.735 1.00 0.00 C ATOM 678 NZ LYS A 63 4.595 4.495 7.952 1.00 0.00 N ATOM 0 H LYS A 63 6.835 -0.194 12.211 1.00 0.00 H new ATOM 0 HA LYS A 63 4.039 0.085 12.149 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.418 1.967 12.615 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.389 1.724 11.176 1.00 0.00 H new ATOM 0 HG2 LYS A 63 3.976 2.122 10.004 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.727 3.039 11.476 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.804 4.733 10.431 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.278 3.833 10.732 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.549 3.870 8.482 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.358 2.584 8.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.767 4.356 6.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.610 4.245 8.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.764 5.491 8.199 1.00 0.00 H new ATOM 692 N ILE A 64 5.486 -0.594 9.292 1.00 0.00 N ATOM 693 CA ILE A 64 5.259 -0.983 7.915 1.00 0.00 C ATOM 694 C ILE A 64 4.402 -2.249 7.821 1.00 0.00 C ATOM 695 O ILE A 64 3.375 -2.265 7.143 1.00 0.00 O ATOM 696 CB ILE A 64 6.615 -1.195 7.194 1.00 0.00 C ATOM 697 CG1 ILE A 64 6.883 -0.038 6.233 1.00 0.00 C ATOM 698 CG2 ILE A 64 6.669 -2.529 6.459 1.00 0.00 C ATOM 699 CD1 ILE A 64 8.012 -0.297 5.258 1.00 0.00 C ATOM 0 H ILE A 64 6.456 -0.677 9.596 1.00 0.00 H new ATOM 0 HA ILE A 64 4.712 -0.178 7.424 1.00 0.00 H new ATOM 0 HB ILE A 64 7.396 -1.217 7.954 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.973 0.173 5.672 1.00 0.00 H new ATOM 0 HG13 ILE A 64 7.115 0.856 6.812 1.00 0.00 H new ATOM 0 HG21 ILE A 64 7.637 -2.635 5.968 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.532 -3.343 7.171 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.877 -2.565 5.711 1.00 0.00 H new ATOM 0 HD11 ILE A 64 8.140 0.571 4.611 1.00 0.00 H new ATOM 0 HD12 ILE A 64 8.935 -0.477 5.809 1.00 0.00 H new ATOM 0 HD13 ILE A 64 7.775 -1.171 4.651 1.00 0.00 H new ATOM 711 N GLU A 65 4.844 -3.313 8.486 1.00 0.00 N ATOM 712 CA GLU A 65 4.133 -4.589 8.451 1.00 0.00 C ATOM 713 C GLU A 65 2.952 -4.628 9.419 1.00 0.00 C ATOM 714 O GLU A 65 2.012 -5.396 9.219 1.00 0.00 O ATOM 715 CB GLU A 65 5.098 -5.733 8.769 1.00 0.00 C ATOM 716 CG GLU A 65 6.282 -5.812 7.819 1.00 0.00 C ATOM 717 CD GLU A 65 6.743 -7.236 7.581 1.00 0.00 C ATOM 718 OE1 GLU A 65 7.378 -7.815 8.488 1.00 0.00 O ATOM 719 OE2 GLU A 65 6.469 -7.774 6.487 1.00 0.00 O ATOM 0 H GLU A 65 5.690 -3.318 9.055 1.00 0.00 H new ATOM 0 HA GLU A 65 3.733 -4.705 7.444 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.467 -5.613 9.787 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.553 -6.676 8.737 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.010 -5.358 6.866 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.109 -5.229 8.225 1.00 0.00 H new ATOM 726 N THR A 66 3.010 -3.828 10.477 1.00 0.00 N ATOM 727 CA THR A 66 1.951 -3.809 11.469 1.00 0.00 C ATOM 728 C THR A 66 0.996 -2.628 11.279 1.00 0.00 C ATOM 729 O THR A 66 -0.032 -2.551 11.951 1.00 0.00 O ATOM 730 CB THR A 66 2.557 -3.762 12.868 1.00 0.00 C ATOM 731 OG1 THR A 66 2.941 -2.443 13.210 1.00 0.00 O ATOM 732 CG2 THR A 66 3.768 -4.657 13.036 1.00 0.00 C ATOM 0 H THR A 66 3.780 -3.186 10.667 1.00 0.00 H new ATOM 0 HA THR A 66 1.369 -4.722 11.342 1.00 0.00 H new ATOM 0 HB THR A 66 1.770 -4.125 13.529 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.466 -2.055 12.479 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.145 -4.572 14.055 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.486 -5.691 12.839 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.545 -4.353 12.335 1.00 0.00 H new ATOM 740 N GLU A 67 1.328 -1.703 10.377 1.00 0.00 N ATOM 741 CA GLU A 67 0.466 -0.544 10.150 1.00 0.00 C ATOM 742 C GLU A 67 0.298 -0.228 8.659 1.00 0.00 C ATOM 743 O GLU A 67 -0.822 -0.029 8.192 1.00 0.00 O ATOM 744 CB GLU A 67 1.005 0.677 10.917 1.00 0.00 C ATOM 745 CG GLU A 67 1.033 1.973 10.116 1.00 0.00 C ATOM 746 CD GLU A 67 -0.356 2.474 9.770 1.00 0.00 C ATOM 747 OE1 GLU A 67 -1.308 2.139 10.506 1.00 0.00 O ATOM 748 OE2 GLU A 67 -0.491 3.201 8.764 1.00 0.00 O ATOM 0 H GLU A 67 2.170 -1.732 9.802 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.525 -0.791 10.531 1.00 0.00 H new ATOM 0 HB2 GLU A 67 0.393 0.829 11.806 1.00 0.00 H new ATOM 0 HB3 GLU A 67 2.016 0.456 11.260 1.00 0.00 H new ATOM 0 HG2 GLU A 67 1.559 2.738 10.687 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.598 1.816 9.197 1.00 0.00 H new ATOM 755 N LEU A 68 1.400 -0.166 7.913 1.00 0.00 N ATOM 756 CA LEU A 68 1.319 0.146 6.487 1.00 0.00 C ATOM 757 C LEU A 68 0.684 -1.001 5.702 1.00 0.00 C ATOM 758 O LEU A 68 -0.531 -1.021 5.511 1.00 0.00 O ATOM 759 CB LEU A 68 2.701 0.484 5.917 1.00 0.00 C ATOM 760 CG LEU A 68 3.282 1.829 6.366 1.00 0.00 C ATOM 761 CD1 LEU A 68 4.537 2.160 5.572 1.00 0.00 C ATOM 762 CD2 LEU A 68 2.249 2.936 6.216 1.00 0.00 C ATOM 0 H LEU A 68 2.344 -0.325 8.264 1.00 0.00 H new ATOM 0 HA LEU A 68 0.680 1.023 6.381 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.396 -0.306 6.200 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.639 0.479 4.829 1.00 0.00 H new ATOM 0 HG LEU A 68 3.551 1.751 7.419 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.936 3.118 5.904 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.284 1.382 5.730 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.292 2.217 4.511 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.681 3.883 6.540 1.00 0.00 H new ATOM 0 HD22 LEU A 68 1.947 3.013 5.171 1.00 0.00 H new ATOM 0 HD23 LEU A 68 1.378 2.706 6.829 1.00 0.00 H new ATOM 774 N ILE A 69 1.507 -1.948 5.241 1.00 0.00 N ATOM 775 CA ILE A 69 1.020 -3.093 4.468 1.00 0.00 C ATOM 776 C ILE A 69 -0.347 -3.580 4.961 1.00 0.00 C ATOM 777 O ILE A 69 -1.295 -3.666 4.180 1.00 0.00 O ATOM 778 CB ILE A 69 2.041 -4.254 4.499 1.00 0.00 C ATOM 779 CG1 ILE A 69 3.169 -3.971 3.507 1.00 0.00 C ATOM 780 CG2 ILE A 69 1.380 -5.593 4.183 1.00 0.00 C ATOM 781 CD1 ILE A 69 4.433 -4.747 3.784 1.00 0.00 C ATOM 0 H ILE A 69 2.516 -1.943 5.391 1.00 0.00 H new ATOM 0 HA ILE A 69 0.901 -2.754 3.439 1.00 0.00 H new ATOM 0 HB ILE A 69 2.450 -4.321 5.507 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.823 -4.206 2.501 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.397 -2.905 3.525 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.129 -6.385 4.214 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.604 -5.798 4.920 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.935 -5.553 3.189 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.187 -4.493 3.039 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.805 -4.494 4.777 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.222 -5.815 3.737 1.00 0.00 H new ATOM 793 N PRO A 70 -0.475 -3.904 6.259 1.00 0.00 N ATOM 794 CA PRO A 70 -1.739 -4.376 6.828 1.00 0.00 C ATOM 795 C PRO A 70 -2.907 -3.473 6.454 1.00 0.00 C ATOM 796 O PRO A 70 -4.022 -3.943 6.234 1.00 0.00 O ATOM 797 CB PRO A 70 -1.505 -4.342 8.345 1.00 0.00 C ATOM 798 CG PRO A 70 -0.202 -3.639 8.541 1.00 0.00 C ATOM 799 CD PRO A 70 0.580 -3.839 7.276 1.00 0.00 C ATOM 0 HA PRO A 70 -2.002 -5.366 6.454 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -2.313 -3.816 8.853 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -1.471 -5.350 8.758 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.358 -2.578 8.738 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.334 -4.046 9.398 1.00 0.00 H new ATOM 0 HD2 PRO A 70 1.271 -3.017 7.092 1.00 0.00 H new ATOM 0 HD3 PRO A 70 1.173 -4.753 7.305 1.00 0.00 H new ATOM 807 N ASN A 71 -2.642 -2.173 6.387 1.00 0.00 N ATOM 808 CA ASN A 71 -3.672 -1.200 6.042 1.00 0.00 C ATOM 809 C ASN A 71 -3.783 -1.033 4.530 1.00 0.00 C ATOM 810 O ASN A 71 -4.879 -0.859 3.998 1.00 0.00 O ATOM 811 CB ASN A 71 -3.372 0.150 6.696 1.00 0.00 C ATOM 812 CG ASN A 71 -3.731 0.172 8.169 1.00 0.00 C ATOM 813 OD1 ASN A 71 -4.618 -0.557 8.614 1.00 0.00 O ATOM 814 ND2 ASN A 71 -3.041 1.009 8.936 1.00 0.00 N ATOM 0 H ASN A 71 -1.723 -1.769 6.567 1.00 0.00 H new ATOM 0 HA ASN A 71 -4.625 -1.573 6.418 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.313 0.379 6.580 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.926 0.933 6.178 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.238 1.065 9.935 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.314 1.595 8.526 1.00 0.00 H new ATOM 821 N CYS A 72 -2.647 -1.092 3.838 1.00 0.00 N ATOM 822 CA CYS A 72 -2.640 -0.951 2.387 1.00 0.00 C ATOM 823 C CYS A 72 -3.418 -2.088 1.746 1.00 0.00 C ATOM 824 O CYS A 72 -4.380 -1.859 1.013 1.00 0.00 O ATOM 825 CB CYS A 72 -1.209 -0.927 1.836 1.00 0.00 C ATOM 826 SG CYS A 72 -0.029 0.004 2.840 1.00 0.00 S ATOM 0 H CYS A 72 -1.728 -1.235 4.256 1.00 0.00 H new ATOM 0 HA CYS A 72 -3.116 -0.002 2.142 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -0.854 -1.953 1.740 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -1.227 -0.501 0.833 1.00 0.00 H new ATOM 0 HG CYS A 72 -0.449 0.052 4.069 1.00 0.00 H new ATOM 832 N THR A 73 -3.003 -3.317 2.033 1.00 0.00 N ATOM 833 CA THR A 73 -3.676 -4.483 1.488 1.00 0.00 C ATOM 834 C THR A 73 -5.102 -4.558 2.022 1.00 0.00 C ATOM 835 O THR A 73 -6.033 -4.867 1.282 1.00 0.00 O ATOM 836 CB THR A 73 -2.898 -5.760 1.812 1.00 0.00 C ATOM 837 OG1 THR A 73 -3.192 -6.777 0.871 1.00 0.00 O ATOM 838 CG2 THR A 73 -3.188 -6.313 3.188 1.00 0.00 C ATOM 0 H THR A 73 -2.208 -3.528 2.637 1.00 0.00 H new ATOM 0 HA THR A 73 -3.718 -4.389 0.403 1.00 0.00 H new ATOM 0 HB THR A 73 -1.848 -5.472 1.772 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.684 -7.585 1.093 1.00 0.00 H new ATOM 0 HG21 THR A 73 -2.601 -7.218 3.348 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.923 -5.571 3.941 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.249 -6.550 3.269 1.00 0.00 H new ATOM 846 N SER A 74 -5.278 -4.236 3.303 1.00 0.00 N ATOM 847 CA SER A 74 -6.609 -4.235 3.896 1.00 0.00 C ATOM 848 C SER A 74 -7.488 -3.264 3.121 1.00 0.00 C ATOM 849 O SER A 74 -8.691 -3.472 2.966 1.00 0.00 O ATOM 850 CB SER A 74 -6.551 -3.831 5.370 1.00 0.00 C ATOM 851 OG SER A 74 -7.840 -3.513 5.864 1.00 0.00 O ATOM 0 H SER A 74 -4.525 -3.976 3.940 1.00 0.00 H new ATOM 0 HA SER A 74 -7.026 -5.241 3.843 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.124 -4.645 5.956 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.891 -2.972 5.489 1.00 0.00 H new ATOM 0 HG SER A 74 -7.775 -3.260 6.808 1.00 0.00 H new ATOM 857 N VAL A 75 -6.851 -2.213 2.611 1.00 0.00 N ATOM 858 CA VAL A 75 -7.528 -1.207 1.816 1.00 0.00 C ATOM 859 C VAL A 75 -7.954 -1.815 0.477 1.00 0.00 C ATOM 860 O VAL A 75 -8.943 -1.395 -0.124 1.00 0.00 O ATOM 861 CB VAL A 75 -6.602 0.025 1.614 1.00 0.00 C ATOM 862 CG1 VAL A 75 -6.432 0.393 0.148 1.00 0.00 C ATOM 863 CG2 VAL A 75 -7.111 1.219 2.409 1.00 0.00 C ATOM 0 H VAL A 75 -5.854 -2.040 2.740 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.423 -0.867 2.337 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.618 -0.256 1.989 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.776 1.260 0.064 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.993 -0.448 -0.390 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -7.405 0.631 -0.283 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.448 2.070 2.253 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.116 1.477 2.075 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.134 0.967 3.469 1.00 0.00 H new ATOM 873 N ARG A 76 -7.213 -2.835 0.039 1.00 0.00 N ATOM 874 CA ARG A 76 -7.521 -3.537 -1.203 1.00 0.00 C ATOM 875 C ARG A 76 -8.824 -4.304 -1.042 1.00 0.00 C ATOM 876 O ARG A 76 -9.783 -4.083 -1.778 1.00 0.00 O ATOM 877 CB ARG A 76 -6.404 -4.524 -1.556 1.00 0.00 C ATOM 878 CG ARG A 76 -5.033 -3.884 -1.722 1.00 0.00 C ATOM 879 CD ARG A 76 -3.928 -4.918 -1.955 1.00 0.00 C ATOM 880 NE ARG A 76 -4.406 -6.303 -1.891 1.00 0.00 N ATOM 881 CZ ARG A 76 -3.945 -7.288 -2.662 1.00 0.00 C ATOM 882 NH1 ARG A 76 -2.975 -7.062 -3.540 1.00 0.00 N ATOM 883 NH2 ARG A 76 -4.447 -8.509 -2.542 1.00 0.00 N ATOM 0 H ARG A 76 -6.393 -3.192 0.530 1.00 0.00 H new ATOM 0 HA ARG A 76 -7.613 -2.802 -2.003 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -6.346 -5.283 -0.776 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -6.667 -5.037 -2.481 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -5.059 -3.189 -2.562 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.798 -3.300 -0.832 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.475 -4.742 -2.931 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.145 -4.777 -1.210 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.136 -6.526 -1.215 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.575 -6.128 -3.629 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -2.629 -7.823 -4.125 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -5.184 -8.693 -1.861 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -4.096 -9.265 -3.131 1.00 0.00 H new ATOM 897 N ASP A 77 -8.848 -5.205 -0.060 1.00 0.00 N ATOM 898 CA ASP A 77 -10.033 -6.010 0.219 1.00 0.00 C ATOM 899 C ASP A 77 -11.272 -5.128 0.272 1.00 0.00 C ATOM 900 O ASP A 77 -12.348 -5.519 -0.179 1.00 0.00 O ATOM 901 CB ASP A 77 -9.865 -6.767 1.540 1.00 0.00 C ATOM 902 CG ASP A 77 -9.992 -8.268 1.367 1.00 0.00 C ATOM 903 OD1 ASP A 77 -11.135 -8.772 1.375 1.00 0.00 O ATOM 904 OD2 ASP A 77 -8.949 -8.939 1.224 1.00 0.00 O ATOM 0 H ASP A 77 -8.057 -5.395 0.556 1.00 0.00 H new ATOM 0 HA ASP A 77 -10.155 -6.735 -0.585 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.889 -6.535 1.967 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -10.615 -6.421 2.251 1.00 0.00 H new ATOM 909 N LYS A 78 -11.105 -3.924 0.811 1.00 0.00 N ATOM 910 CA LYS A 78 -12.204 -2.977 0.902 1.00 0.00 C ATOM 911 C LYS A 78 -12.626 -2.551 -0.497 1.00 0.00 C ATOM 912 O LYS A 78 -13.815 -2.470 -0.808 1.00 0.00 O ATOM 913 CB LYS A 78 -11.787 -1.756 1.728 1.00 0.00 C ATOM 914 CG LYS A 78 -11.987 -1.936 3.225 1.00 0.00 C ATOM 915 CD LYS A 78 -12.653 -0.721 3.851 1.00 0.00 C ATOM 916 CE LYS A 78 -11.651 0.393 4.108 1.00 0.00 C ATOM 917 NZ LYS A 78 -10.736 0.068 5.237 1.00 0.00 N ATOM 0 H LYS A 78 -10.221 -3.585 1.189 1.00 0.00 H new ATOM 0 HA LYS A 78 -13.048 -3.455 1.399 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.737 -1.538 1.534 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.359 -0.890 1.395 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -12.597 -2.820 3.407 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.023 -2.110 3.703 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -13.442 -0.357 3.192 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -13.128 -1.008 4.789 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.066 0.570 3.206 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.185 1.318 4.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.272 0.937 5.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -11.282 -0.352 6.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.015 -0.609 4.916 1.00 0.00 H new ATOM 931 N ILE A 79 -11.633 -2.304 -1.343 1.00 0.00 N ATOM 932 CA ILE A 79 -11.875 -1.909 -2.720 1.00 0.00 C ATOM 933 C ILE A 79 -12.402 -3.095 -3.521 1.00 0.00 C ATOM 934 O ILE A 79 -13.362 -2.969 -4.282 1.00 0.00 O ATOM 935 CB ILE A 79 -10.579 -1.376 -3.365 1.00 0.00 C ATOM 936 CG1 ILE A 79 -10.227 -0.008 -2.784 1.00 0.00 C ATOM 937 CG2 ILE A 79 -10.708 -1.301 -4.879 1.00 0.00 C ATOM 938 CD1 ILE A 79 -8.769 0.361 -2.948 1.00 0.00 C ATOM 0 H ILE A 79 -10.646 -2.372 -1.094 1.00 0.00 H new ATOM 0 HA ILE A 79 -12.621 -1.114 -2.725 1.00 0.00 H new ATOM 0 HB ILE A 79 -9.772 -2.072 -3.137 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -10.842 0.752 -3.266 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -10.479 0.003 -1.724 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -9.779 -0.922 -5.305 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -10.910 -2.296 -5.277 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -11.527 -0.632 -5.142 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.591 1.344 -2.513 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -8.148 -0.378 -2.442 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.516 0.382 -4.008 1.00 0.00 H new ATOM 950 N GLU A 80 -11.769 -4.247 -3.336 1.00 0.00 N ATOM 951 CA GLU A 80 -12.172 -5.459 -4.030 1.00 0.00 C ATOM 952 C GLU A 80 -13.548 -5.908 -3.553 1.00 0.00 C ATOM 953 O GLU A 80 -14.327 -6.474 -4.319 1.00 0.00 O ATOM 954 CB GLU A 80 -11.149 -6.572 -3.800 1.00 0.00 C ATOM 955 CG GLU A 80 -9.735 -6.192 -4.207 1.00 0.00 C ATOM 956 CD GLU A 80 -8.736 -7.304 -3.952 1.00 0.00 C ATOM 957 OE1 GLU A 80 -9.054 -8.470 -4.267 1.00 0.00 O ATOM 958 OE2 GLU A 80 -7.638 -7.009 -3.436 1.00 0.00 O ATOM 0 H GLU A 80 -10.973 -4.365 -2.709 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.221 -5.245 -5.098 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.153 -6.846 -2.745 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.454 -7.456 -4.360 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -9.723 -5.933 -5.266 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -9.430 -5.301 -3.658 1.00 0.00 H new ATOM 965 N SER A 81 -13.846 -5.639 -2.283 1.00 0.00 N ATOM 966 CA SER A 81 -15.137 -6.005 -1.715 1.00 0.00 C ATOM 967 C SER A 81 -16.247 -5.250 -2.430 1.00 0.00 C ATOM 968 O SER A 81 -17.346 -5.769 -2.627 1.00 0.00 O ATOM 969 CB SER A 81 -15.170 -5.697 -0.216 1.00 0.00 C ATOM 970 OG SER A 81 -14.775 -6.826 0.545 1.00 0.00 O ATOM 0 H SER A 81 -13.214 -5.172 -1.633 1.00 0.00 H new ATOM 0 HA SER A 81 -15.289 -7.076 -1.850 1.00 0.00 H new ATOM 0 HB2 SER A 81 -14.508 -4.859 0.001 1.00 0.00 H new ATOM 0 HB3 SER A 81 -16.176 -5.393 0.074 1.00 0.00 H new ATOM 0 HG SER A 81 -13.797 -6.859 0.598 1.00 0.00 H new ATOM 976 N ASN A 82 -15.940 -4.020 -2.827 1.00 0.00 N ATOM 977 CA ASN A 82 -16.891 -3.179 -3.537 1.00 0.00 C ATOM 978 C ASN A 82 -16.996 -3.615 -4.996 1.00 0.00 C ATOM 979 O ASN A 82 -16.143 -3.279 -5.818 1.00 0.00 O ATOM 980 CB ASN A 82 -16.448 -1.720 -3.450 1.00 0.00 C ATOM 981 CG ASN A 82 -17.561 -0.749 -3.778 1.00 0.00 C ATOM 982 OD1 ASN A 82 -18.670 -0.853 -3.255 1.00 0.00 O ATOM 983 ND2 ASN A 82 -17.264 0.202 -4.651 1.00 0.00 N ATOM 0 H ASN A 82 -15.033 -3.583 -2.667 1.00 0.00 H new ATOM 0 HA ASN A 82 -17.873 -3.282 -3.076 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -16.079 -1.516 -2.445 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -15.616 -1.556 -4.134 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -17.970 0.889 -4.916 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -16.330 0.247 -5.058 1.00 0.00 H new ATOM 990 N ILE A 83 -18.039 -4.381 -5.308 1.00 0.00 N ATOM 991 CA ILE A 83 -18.250 -4.887 -6.663 1.00 0.00 C ATOM 992 C ILE A 83 -18.117 -3.792 -7.717 1.00 0.00 C ATOM 993 O ILE A 83 -17.736 -4.063 -8.855 1.00 0.00 O ATOM 994 CB ILE A 83 -19.631 -5.557 -6.807 1.00 0.00 C ATOM 995 CG1 ILE A 83 -19.717 -6.319 -8.132 1.00 0.00 C ATOM 996 CG2 ILE A 83 -20.741 -4.518 -6.717 1.00 0.00 C ATOM 997 CD1 ILE A 83 -18.607 -7.331 -8.323 1.00 0.00 C ATOM 0 H ILE A 83 -18.754 -4.666 -4.638 1.00 0.00 H new ATOM 0 HA ILE A 83 -17.468 -5.628 -6.831 1.00 0.00 H new ATOM 0 HB ILE A 83 -19.758 -6.267 -5.990 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -20.678 -6.832 -8.185 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -19.691 -5.604 -8.955 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -21.708 -5.009 -6.821 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -20.691 -4.015 -5.751 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -20.619 -3.785 -7.515 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -18.733 -7.832 -9.283 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -17.643 -6.822 -8.303 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -18.645 -8.068 -7.521 1.00 0.00 H new ATOM 1009 N LEU A 84 -18.431 -2.557 -7.340 1.00 0.00 N ATOM 1010 CA LEU A 84 -18.340 -1.439 -8.271 1.00 0.00 C ATOM 1011 C LEU A 84 -16.957 -1.378 -8.915 1.00 0.00 C ATOM 1012 O LEU A 84 -16.794 -0.822 -10.000 1.00 0.00 O ATOM 1013 CB LEU A 84 -18.651 -0.124 -7.561 1.00 0.00 C ATOM 1014 CG LEU A 84 -20.134 0.242 -7.505 1.00 0.00 C ATOM 1015 CD1 LEU A 84 -20.413 1.152 -6.319 1.00 0.00 C ATOM 1016 CD2 LEU A 84 -20.568 0.902 -8.804 1.00 0.00 C ATOM 0 H LEU A 84 -18.748 -2.306 -6.404 1.00 0.00 H new ATOM 0 HA LEU A 84 -19.078 -1.594 -9.058 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -18.266 -0.178 -6.543 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -18.112 0.679 -8.063 1.00 0.00 H new ATOM 0 HG LEU A 84 -20.712 -0.673 -7.377 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -21.473 1.403 -6.294 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -20.139 0.641 -5.396 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -19.826 2.066 -6.415 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -21.626 1.156 -8.747 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -19.985 1.809 -8.964 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -20.404 0.215 -9.634 1.00 0.00 H new ATOM 1028 N ILE A 85 -15.965 -1.966 -8.248 1.00 0.00 N ATOM 1029 CA ILE A 85 -14.608 -1.985 -8.775 1.00 0.00 C ATOM 1030 C ILE A 85 -14.546 -2.844 -10.033 1.00 0.00 C ATOM 1031 O ILE A 85 -13.764 -2.577 -10.945 1.00 0.00 O ATOM 1032 CB ILE A 85 -13.601 -2.518 -7.735 1.00 0.00 C ATOM 1033 CG1 ILE A 85 -12.175 -2.451 -8.285 1.00 0.00 C ATOM 1034 CG2 ILE A 85 -13.952 -3.941 -7.329 1.00 0.00 C ATOM 1035 CD1 ILE A 85 -11.397 -1.248 -7.800 1.00 0.00 C ATOM 0 H ILE A 85 -16.077 -2.432 -7.348 1.00 0.00 H new ATOM 0 HA ILE A 85 -14.334 -0.958 -9.017 1.00 0.00 H new ATOM 0 HB ILE A 85 -13.657 -1.886 -6.848 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -11.641 -3.358 -8.000 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -12.215 -2.433 -9.374 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -13.230 -4.299 -6.595 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -14.951 -3.959 -6.894 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -13.927 -4.587 -8.207 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -10.395 -1.265 -8.230 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -11.908 -0.336 -8.108 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -11.326 -1.275 -6.713 1.00 0.00 H new ATOM 1047 N HIS A 86 -15.391 -3.870 -10.077 1.00 0.00 N ATOM 1048 CA HIS A 86 -15.450 -4.764 -11.225 1.00 0.00 C ATOM 1049 C HIS A 86 -16.410 -4.216 -12.277 1.00 0.00 C ATOM 1050 O HIS A 86 -16.277 -4.505 -13.466 1.00 0.00 O ATOM 1051 CB HIS A 86 -15.892 -6.162 -10.789 1.00 0.00 C ATOM 1052 CG HIS A 86 -14.884 -6.869 -9.936 1.00 0.00 C ATOM 1053 ND1 HIS A 86 -13.949 -7.745 -10.446 1.00 0.00 N ATOM 1054 CD2 HIS A 86 -14.667 -6.825 -8.600 1.00 0.00 C ATOM 1055 CE1 HIS A 86 -13.200 -8.209 -9.461 1.00 0.00 C ATOM 1056 NE2 HIS A 86 -13.615 -7.667 -8.332 1.00 0.00 N ATOM 0 H HIS A 86 -16.044 -4.102 -9.329 1.00 0.00 H new ATOM 0 HA HIS A 86 -14.453 -4.831 -11.661 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -16.830 -6.083 -10.239 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -16.092 -6.764 -11.675 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -15.218 -6.238 -7.880 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -12.387 -8.912 -9.563 1.00 0.00 H new ATOM 0 HE2 HIS A 86 -13.219 -7.844 -7.409 1.00 0.00 H new ATOM 1065 N GLN A 87 -17.376 -3.418 -11.827 1.00 0.00 N ATOM 1066 CA GLN A 87 -18.358 -2.821 -12.724 1.00 0.00 C ATOM 1067 C GLN A 87 -17.774 -1.599 -13.425 1.00 0.00 C ATOM 1068 O GLN A 87 -18.069 -1.339 -14.592 1.00 0.00 O ATOM 1069 CB GLN A 87 -19.614 -2.425 -11.945 1.00 0.00 C ATOM 1070 CG GLN A 87 -20.214 -3.564 -11.137 1.00 0.00 C ATOM 1071 CD GLN A 87 -21.617 -3.925 -11.587 1.00 0.00 C ATOM 1072 OE1 GLN A 87 -21.805 -4.817 -12.415 1.00 0.00 O ATOM 1073 NE2 GLN A 87 -22.610 -3.232 -11.043 1.00 0.00 N ATOM 0 H GLN A 87 -17.498 -3.171 -10.845 1.00 0.00 H new ATOM 0 HA GLN A 87 -18.626 -3.560 -13.479 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -19.370 -1.603 -11.272 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -20.363 -2.053 -12.644 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -19.573 -4.441 -11.222 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -20.235 -3.285 -10.084 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -22.408 -2.501 -10.361 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -23.575 -3.430 -11.307 1.00 0.00 H new ATOM 1082 N ASN A 88 -16.940 -0.853 -12.706 1.00 0.00 N ATOM 1083 CA ASN A 88 -16.310 0.340 -13.259 1.00 0.00 C ATOM 1084 C ASN A 88 -15.113 -0.036 -14.126 1.00 0.00 C ATOM 1085 O ASN A 88 -14.509 -1.092 -13.942 1.00 0.00 O ATOM 1086 CB ASN A 88 -15.867 1.280 -12.134 1.00 0.00 C ATOM 1087 CG ASN A 88 -16.879 2.377 -11.865 1.00 0.00 C ATOM 1088 OD1 ASN A 88 -18.070 2.112 -11.705 1.00 0.00 O ATOM 1089 ND2 ASN A 88 -16.408 3.617 -11.814 1.00 0.00 N ATOM 0 H ASN A 88 -16.685 -1.054 -11.739 1.00 0.00 H new ATOM 0 HA ASN A 88 -17.042 0.854 -13.881 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -15.710 0.703 -11.223 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -14.909 1.729 -12.396 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -17.042 4.396 -11.636 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -15.412 3.790 -11.953 1.00 0.00 H new ATOM 1096 N GLY A 89 -14.776 0.833 -15.072 1.00 0.00 N ATOM 1097 CA GLY A 89 -13.653 0.570 -15.952 1.00 0.00 C ATOM 1098 C GLY A 89 -12.383 1.254 -15.487 1.00 0.00 C ATOM 1099 O GLY A 89 -11.404 0.594 -15.139 1.00 0.00 O ATOM 0 H GLY A 89 -15.260 1.714 -15.245 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -13.484 -0.505 -16.009 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -13.897 0.908 -16.959 1.00 0.00 H new ATOM 1103 N LYS A 90 -12.399 2.583 -15.481 1.00 0.00 N ATOM 1104 CA LYS A 90 -11.242 3.360 -15.056 1.00 0.00 C ATOM 1105 C LYS A 90 -10.843 3.009 -13.626 1.00 0.00 C ATOM 1106 O LYS A 90 -9.688 2.683 -13.356 1.00 0.00 O ATOM 1107 CB LYS A 90 -11.540 4.857 -15.160 1.00 0.00 C ATOM 1108 CG LYS A 90 -11.718 5.344 -16.589 1.00 0.00 C ATOM 1109 CD LYS A 90 -11.446 6.835 -16.707 1.00 0.00 C ATOM 1110 CE LYS A 90 -12.050 7.412 -17.977 1.00 0.00 C ATOM 1111 NZ LYS A 90 -13.536 7.478 -17.905 1.00 0.00 N ATOM 0 H LYS A 90 -13.202 3.144 -15.766 1.00 0.00 H new ATOM 0 HA LYS A 90 -10.411 3.114 -15.716 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -12.445 5.079 -14.594 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -10.727 5.414 -14.694 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.044 4.797 -17.248 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.733 5.131 -16.924 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.858 7.351 -15.840 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.370 7.011 -16.702 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -11.650 8.412 -18.148 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.755 6.801 -18.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.890 8.137 -18.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -13.934 6.532 -18.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -13.823 7.811 -16.963 1.00 0.00 H new ATOM 1125 N LEU A 91 -11.806 3.085 -12.711 1.00 0.00 N ATOM 1126 CA LEU A 91 -11.552 2.782 -11.309 1.00 0.00 C ATOM 1127 C LEU A 91 -10.967 1.388 -11.134 1.00 0.00 C ATOM 1128 O LEU A 91 -10.024 1.195 -10.366 1.00 0.00 O ATOM 1129 CB LEU A 91 -12.838 2.910 -10.500 1.00 0.00 C ATOM 1130 CG LEU A 91 -13.071 4.293 -9.904 1.00 0.00 C ATOM 1131 CD1 LEU A 91 -14.365 4.315 -9.108 1.00 0.00 C ATOM 1132 CD2 LEU A 91 -11.889 4.701 -9.031 1.00 0.00 C ATOM 0 H LEU A 91 -12.768 3.354 -12.917 1.00 0.00 H new ATOM 0 HA LEU A 91 -10.821 3.503 -10.943 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -13.683 2.657 -11.141 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -12.819 2.178 -9.693 1.00 0.00 H new ATOM 0 HG LEU A 91 -13.159 5.014 -10.717 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -14.517 5.310 -8.689 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -15.200 4.066 -9.763 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -14.308 3.586 -8.300 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -12.070 5.691 -8.613 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -11.769 3.981 -8.221 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -10.981 4.723 -9.634 1.00 0.00 H new ATOM 1144 N SER A 92 -11.525 0.417 -11.852 1.00 0.00 N ATOM 1145 CA SER A 92 -11.044 -0.959 -11.773 1.00 0.00 C ATOM 1146 C SER A 92 -9.527 -0.991 -11.896 1.00 0.00 C ATOM 1147 O SER A 92 -8.842 -1.683 -11.143 1.00 0.00 O ATOM 1148 CB SER A 92 -11.679 -1.814 -12.871 1.00 0.00 C ATOM 1149 OG SER A 92 -11.272 -3.167 -12.766 1.00 0.00 O ATOM 0 H SER A 92 -12.307 0.556 -12.492 1.00 0.00 H new ATOM 0 HA SER A 92 -11.330 -1.371 -10.805 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.765 -1.752 -12.802 1.00 0.00 H new ATOM 0 HB3 SER A 92 -11.399 -1.422 -13.849 1.00 0.00 H new ATOM 0 HG SER A 92 -11.693 -3.692 -13.479 1.00 0.00 H new ATOM 1155 N ALA A 93 -9.014 -0.213 -12.841 1.00 0.00 N ATOM 1156 CA ALA A 93 -7.578 -0.124 -13.062 1.00 0.00 C ATOM 1157 C ALA A 93 -6.917 0.669 -11.940 1.00 0.00 C ATOM 1158 O ALA A 93 -5.759 0.433 -11.595 1.00 0.00 O ATOM 1159 CB ALA A 93 -7.289 0.520 -14.409 1.00 0.00 C ATOM 0 H ALA A 93 -9.573 0.366 -13.467 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.163 -1.132 -13.064 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.211 0.580 -14.560 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -7.734 -0.081 -15.202 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.715 1.523 -14.431 1.00 0.00 H new ATOM 1165 N ASP A 94 -7.668 1.610 -11.371 1.00 0.00 N ATOM 1166 CA ASP A 94 -7.170 2.445 -10.281 1.00 0.00 C ATOM 1167 C ASP A 94 -6.485 1.599 -9.214 1.00 0.00 C ATOM 1168 O ASP A 94 -5.262 1.619 -9.083 1.00 0.00 O ATOM 1169 CB ASP A 94 -8.318 3.240 -9.655 1.00 0.00 C ATOM 1170 CG ASP A 94 -7.927 4.670 -9.341 1.00 0.00 C ATOM 1171 OD1 ASP A 94 -6.757 4.897 -8.966 1.00 0.00 O ATOM 1172 OD2 ASP A 94 -8.790 5.564 -9.469 1.00 0.00 O ATOM 0 H ASP A 94 -8.628 1.813 -11.649 1.00 0.00 H new ATOM 0 HA ASP A 94 -6.438 3.138 -10.695 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -9.170 3.240 -10.335 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -8.642 2.745 -8.739 1.00 0.00 H new ATOM 1177 N PHE A 95 -7.284 0.856 -8.458 1.00 0.00 N ATOM 1178 CA PHE A 95 -6.766 -0.001 -7.399 1.00 0.00 C ATOM 1179 C PHE A 95 -5.772 -1.020 -7.957 1.00 0.00 C ATOM 1180 O PHE A 95 -4.740 -1.293 -7.345 1.00 0.00 O ATOM 1181 CB PHE A 95 -7.932 -0.702 -6.693 1.00 0.00 C ATOM 1182 CG PHE A 95 -7.725 -2.173 -6.451 1.00 0.00 C ATOM 1183 CD1 PHE A 95 -8.047 -3.094 -7.435 1.00 0.00 C ATOM 1184 CD2 PHE A 95 -7.211 -2.634 -5.248 1.00 0.00 C ATOM 1185 CE1 PHE A 95 -7.861 -4.446 -7.225 1.00 0.00 C ATOM 1186 CE2 PHE A 95 -7.024 -3.984 -5.034 1.00 0.00 C ATOM 1187 CZ PHE A 95 -7.350 -4.892 -6.023 1.00 0.00 C ATOM 0 H PHE A 95 -8.299 0.830 -8.560 1.00 0.00 H new ATOM 0 HA PHE A 95 -6.231 0.614 -6.675 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.108 -0.211 -5.736 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.834 -0.569 -7.290 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -8.448 -2.750 -8.377 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.955 -1.929 -4.471 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.115 -5.154 -8.000 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -6.623 -4.331 -4.093 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.205 -5.949 -5.856 1.00 0.00 H new ATOM 1197 N LYS A 96 -6.093 -1.582 -9.121 1.00 0.00 N ATOM 1198 CA LYS A 96 -5.228 -2.572 -9.757 1.00 0.00 C ATOM 1199 C LYS A 96 -3.794 -2.064 -9.852 1.00 0.00 C ATOM 1200 O LYS A 96 -2.843 -2.799 -9.588 1.00 0.00 O ATOM 1201 CB LYS A 96 -5.749 -2.912 -11.154 1.00 0.00 C ATOM 1202 CG LYS A 96 -6.843 -3.965 -11.156 1.00 0.00 C ATOM 1203 CD LYS A 96 -7.563 -4.009 -12.493 1.00 0.00 C ATOM 1204 CE LYS A 96 -8.583 -5.135 -12.539 1.00 0.00 C ATOM 1205 NZ LYS A 96 -7.967 -6.425 -12.957 1.00 0.00 N ATOM 0 H LYS A 96 -6.944 -1.369 -9.641 1.00 0.00 H new ATOM 0 HA LYS A 96 -5.237 -3.471 -9.141 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -6.130 -2.004 -11.621 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -4.918 -3.262 -11.767 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.411 -4.942 -10.941 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -7.558 -3.751 -10.362 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -8.063 -3.057 -12.670 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -6.836 -4.142 -13.295 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -9.039 -5.252 -11.556 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -9.382 -4.873 -13.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -8.695 -7.167 -12.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -7.554 -6.321 -13.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -7.221 -6.689 -12.282 1.00 0.00 H new ATOM 1219 N ASN A 97 -3.649 -0.800 -10.227 1.00 0.00 N ATOM 1220 CA ASN A 97 -2.332 -0.185 -10.354 1.00 0.00 C ATOM 1221 C ASN A 97 -1.703 0.023 -8.984 1.00 0.00 C ATOM 1222 O ASN A 97 -0.492 -0.115 -8.815 1.00 0.00 O ATOM 1223 CB ASN A 97 -2.439 1.158 -11.080 1.00 0.00 C ATOM 1224 CG ASN A 97 -1.230 1.444 -11.949 1.00 0.00 C ATOM 1225 OD1 ASN A 97 -0.115 1.596 -11.450 1.00 0.00 O ATOM 1226 ND2 ASN A 97 -1.445 1.519 -13.257 1.00 0.00 N ATOM 0 H ASN A 97 -4.427 -0.179 -10.449 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.699 -0.856 -10.935 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -3.337 1.163 -11.698 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -2.553 1.956 -10.347 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -0.669 1.709 -13.891 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -2.386 1.386 -13.628 1.00 0.00 H new ATOM 1233 N LEU A 98 -2.537 0.360 -8.008 1.00 0.00 N ATOM 1234 CA LEU A 98 -2.067 0.591 -6.650 1.00 0.00 C ATOM 1235 C LEU A 98 -1.601 -0.707 -6.012 1.00 0.00 C ATOM 1236 O LEU A 98 -0.434 -0.842 -5.644 1.00 0.00 O ATOM 1237 CB LEU A 98 -3.173 1.226 -5.811 1.00 0.00 C ATOM 1238 CG LEU A 98 -3.848 2.433 -6.458 1.00 0.00 C ATOM 1239 CD1 LEU A 98 -5.194 2.709 -5.811 1.00 0.00 C ATOM 1240 CD2 LEU A 98 -2.948 3.654 -6.372 1.00 0.00 C ATOM 0 H LEU A 98 -3.542 0.479 -8.133 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.219 1.274 -6.692 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.931 0.471 -5.602 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -2.754 1.531 -4.852 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.020 2.207 -7.510 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.657 3.573 -6.288 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.840 1.839 -5.930 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -5.053 2.913 -4.750 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.444 4.505 -6.838 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.742 3.882 -5.326 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.011 3.452 -6.890 1.00 0.00 H new ATOM 1252 N LYS A 99 -2.511 -1.669 -5.891 1.00 0.00 N ATOM 1253 CA LYS A 99 -2.167 -2.957 -5.305 1.00 0.00 C ATOM 1254 C LYS A 99 -0.990 -3.564 -6.047 1.00 0.00 C ATOM 1255 O LYS A 99 -0.127 -4.199 -5.448 1.00 0.00 O ATOM 1256 CB LYS A 99 -3.361 -3.916 -5.341 1.00 0.00 C ATOM 1257 CG LYS A 99 -4.053 -3.984 -6.695 1.00 0.00 C ATOM 1258 CD LYS A 99 -4.244 -5.423 -7.158 1.00 0.00 C ATOM 1259 CE LYS A 99 -3.633 -5.657 -8.531 1.00 0.00 C ATOM 1260 NZ LYS A 99 -4.280 -6.795 -9.241 1.00 0.00 N ATOM 0 H LYS A 99 -3.483 -1.581 -6.188 1.00 0.00 H new ATOM 0 HA LYS A 99 -1.893 -2.796 -4.262 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.022 -4.915 -5.066 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.086 -3.607 -4.588 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -5.023 -3.490 -6.634 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.464 -3.439 -7.433 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -3.788 -6.101 -6.436 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.308 -5.658 -7.188 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.731 -4.752 -9.131 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -2.566 -5.855 -8.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -3.835 -6.921 -10.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -4.165 -7.664 -8.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -5.293 -6.596 -9.366 1.00 0.00 H new ATOM 1274 N THR A 100 -0.957 -3.344 -7.354 1.00 0.00 N ATOM 1275 CA THR A 100 0.120 -3.851 -8.183 1.00 0.00 C ATOM 1276 C THR A 100 1.426 -3.140 -7.846 1.00 0.00 C ATOM 1277 O THR A 100 2.418 -3.779 -7.496 1.00 0.00 O ATOM 1278 CB THR A 100 -0.221 -3.666 -9.662 1.00 0.00 C ATOM 1279 OG1 THR A 100 -1.188 -4.614 -10.077 1.00 0.00 O ATOM 1280 CG2 THR A 100 0.976 -3.804 -10.572 1.00 0.00 C ATOM 0 H THR A 100 -1.667 -2.816 -7.861 1.00 0.00 H new ATOM 0 HA THR A 100 0.244 -4.916 -7.984 1.00 0.00 H new ATOM 0 HB THR A 100 -0.605 -2.649 -9.745 1.00 0.00 H new ATOM 0 HG1 THR A 100 -2.031 -4.156 -10.276 1.00 0.00 H new ATOM 0 HG21 THR A 100 0.665 -3.662 -11.607 1.00 0.00 H new ATOM 0 HG22 THR A 100 1.721 -3.052 -10.310 1.00 0.00 H new ATOM 0 HG23 THR A 100 1.408 -4.798 -10.457 1.00 0.00 H new ATOM 1288 N LYS A 101 1.421 -1.812 -7.944 1.00 0.00 N ATOM 1289 CA LYS A 101 2.611 -1.035 -7.633 1.00 0.00 C ATOM 1290 C LYS A 101 3.038 -1.300 -6.197 1.00 0.00 C ATOM 1291 O LYS A 101 4.226 -1.318 -5.880 1.00 0.00 O ATOM 1292 CB LYS A 101 2.358 0.463 -7.856 1.00 0.00 C ATOM 1293 CG LYS A 101 1.630 1.154 -6.711 1.00 0.00 C ATOM 1294 CD LYS A 101 1.741 2.667 -6.816 1.00 0.00 C ATOM 1295 CE LYS A 101 2.860 3.207 -5.938 1.00 0.00 C ATOM 1296 NZ LYS A 101 3.843 4.009 -6.718 1.00 0.00 N ATOM 0 H LYS A 101 0.614 -1.260 -8.233 1.00 0.00 H new ATOM 0 HA LYS A 101 3.415 -1.341 -8.303 1.00 0.00 H new ATOM 0 HB2 LYS A 101 3.314 0.961 -8.016 1.00 0.00 H new ATOM 0 HB3 LYS A 101 1.776 0.589 -8.769 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.579 0.863 -6.718 1.00 0.00 H new ATOM 0 HG3 LYS A 101 2.047 0.822 -5.760 1.00 0.00 H new ATOM 0 HD2 LYS A 101 1.923 2.948 -7.853 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.795 3.123 -6.523 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.434 3.825 -5.147 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.373 2.377 -5.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 4.588 4.358 -6.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.269 3.413 -7.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.359 4.816 -7.160 1.00 0.00 H new ATOM 1310 N TYR A 102 2.049 -1.520 -5.336 1.00 0.00 N ATOM 1311 CA TYR A 102 2.302 -1.800 -3.930 1.00 0.00 C ATOM 1312 C TYR A 102 3.107 -3.090 -3.787 1.00 0.00 C ATOM 1313 O TYR A 102 3.991 -3.191 -2.937 1.00 0.00 O ATOM 1314 CB TYR A 102 0.968 -1.882 -3.176 1.00 0.00 C ATOM 1315 CG TYR A 102 0.995 -2.711 -1.910 1.00 0.00 C ATOM 1316 CD1 TYR A 102 1.805 -2.362 -0.834 1.00 0.00 C ATOM 1317 CD2 TYR A 102 0.194 -3.836 -1.791 1.00 0.00 C ATOM 1318 CE1 TYR A 102 1.813 -3.119 0.326 1.00 0.00 C ATOM 1319 CE2 TYR A 102 0.197 -4.597 -0.639 1.00 0.00 C ATOM 1320 CZ TYR A 102 1.006 -4.234 0.415 1.00 0.00 C ATOM 1321 OH TYR A 102 1.010 -4.991 1.562 1.00 0.00 O ATOM 0 H TYR A 102 1.061 -1.509 -5.591 1.00 0.00 H new ATOM 0 HA TYR A 102 2.892 -0.993 -3.495 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.649 -0.871 -2.923 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.215 -2.295 -3.846 1.00 0.00 H new ATOM 0 HD1 TYR A 102 2.436 -1.489 -0.904 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -0.444 -4.122 -2.614 1.00 0.00 H new ATOM 0 HE1 TYR A 102 2.446 -2.838 1.155 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.432 -5.472 -0.565 1.00 0.00 H new ATOM 0 HH TYR A 102 0.585 -5.856 1.384 1.00 0.00 H new ATOM 1331 N GLN A 103 2.804 -4.069 -4.637 1.00 0.00 N ATOM 1332 CA GLN A 103 3.511 -5.348 -4.616 1.00 0.00 C ATOM 1333 C GLN A 103 5.008 -5.138 -4.815 1.00 0.00 C ATOM 1334 O GLN A 103 5.828 -5.687 -4.082 1.00 0.00 O ATOM 1335 CB GLN A 103 2.983 -6.278 -5.714 1.00 0.00 C ATOM 1336 CG GLN A 103 1.567 -6.772 -5.481 1.00 0.00 C ATOM 1337 CD GLN A 103 1.056 -7.642 -6.614 1.00 0.00 C ATOM 1338 OE1 GLN A 103 -0.091 -7.509 -7.043 1.00 0.00 O ATOM 1339 NE2 GLN A 103 1.903 -8.538 -7.106 1.00 0.00 N ATOM 0 H GLN A 103 2.075 -4.002 -5.347 1.00 0.00 H new ATOM 0 HA GLN A 103 3.337 -5.807 -3.643 1.00 0.00 H new ATOM 0 HB2 GLN A 103 3.021 -5.753 -6.669 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.647 -7.138 -5.797 1.00 0.00 H new ATOM 0 HG2 GLN A 103 1.533 -7.338 -4.550 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.904 -5.916 -5.358 1.00 0.00 H new ATOM 0 HE21 GLN A 103 2.844 -8.615 -6.721 1.00 0.00 H new ATOM 0 HE22 GLN A 103 1.612 -9.150 -7.869 1.00 0.00 H new ATOM 1348 N SER A 104 5.356 -4.342 -5.817 1.00 0.00 N ATOM 1349 CA SER A 104 6.754 -4.060 -6.117 1.00 0.00 C ATOM 1350 C SER A 104 7.455 -3.455 -4.908 1.00 0.00 C ATOM 1351 O SER A 104 8.630 -3.724 -4.657 1.00 0.00 O ATOM 1352 CB SER A 104 6.854 -3.101 -7.301 1.00 0.00 C ATOM 1353 OG SER A 104 7.948 -3.432 -8.138 1.00 0.00 O ATOM 0 H SER A 104 4.690 -3.880 -6.436 1.00 0.00 H new ATOM 0 HA SER A 104 7.244 -5.000 -6.371 1.00 0.00 H new ATOM 0 HB2 SER A 104 5.929 -3.133 -7.877 1.00 0.00 H new ATOM 0 HB3 SER A 104 6.967 -2.080 -6.937 1.00 0.00 H new ATOM 0 HG SER A 104 7.987 -2.803 -8.889 1.00 0.00 H new ATOM 1359 N LEU A 105 6.726 -2.631 -4.167 1.00 0.00 N ATOM 1360 CA LEU A 105 7.271 -1.979 -2.987 1.00 0.00 C ATOM 1361 C LEU A 105 7.608 -2.995 -1.911 1.00 0.00 C ATOM 1362 O LEU A 105 8.721 -3.009 -1.384 1.00 0.00 O ATOM 1363 CB LEU A 105 6.269 -0.964 -2.440 1.00 0.00 C ATOM 1364 CG LEU A 105 5.757 0.052 -3.457 1.00 0.00 C ATOM 1365 CD1 LEU A 105 4.574 0.826 -2.892 1.00 0.00 C ATOM 1366 CD2 LEU A 105 6.876 0.995 -3.865 1.00 0.00 C ATOM 0 H LEU A 105 5.753 -2.399 -4.364 1.00 0.00 H new ATOM 0 HA LEU A 105 8.188 -1.465 -3.277 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.416 -1.504 -2.028 1.00 0.00 H new ATOM 0 HB3 LEU A 105 6.734 -0.426 -1.614 1.00 0.00 H new ATOM 0 HG LEU A 105 5.417 -0.482 -4.344 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.223 1.545 -3.632 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.768 0.133 -2.649 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.882 1.354 -1.990 1.00 0.00 H new ATOM 0 HD21 LEU A 105 6.498 1.715 -4.591 1.00 0.00 H new ATOM 0 HD22 LEU A 105 7.244 1.524 -2.986 1.00 0.00 H new ATOM 0 HD23 LEU A 105 7.689 0.423 -4.311 1.00 0.00 H new ATOM 1378 N GLN A 106 6.644 -3.844 -1.583 1.00 0.00 N ATOM 1379 CA GLN A 106 6.859 -4.861 -0.558 1.00 0.00 C ATOM 1380 C GLN A 106 8.038 -5.752 -0.934 1.00 0.00 C ATOM 1381 O GLN A 106 8.851 -6.112 -0.087 1.00 0.00 O ATOM 1382 CB GLN A 106 5.610 -5.730 -0.328 1.00 0.00 C ATOM 1383 CG GLN A 106 4.466 -5.498 -1.302 1.00 0.00 C ATOM 1384 CD GLN A 106 3.496 -6.663 -1.339 1.00 0.00 C ATOM 1385 OE1 GLN A 106 3.527 -7.484 -2.255 1.00 0.00 O ATOM 1386 NE2 GLN A 106 2.630 -6.743 -0.337 1.00 0.00 N ATOM 0 H GLN A 106 5.715 -3.851 -2.005 1.00 0.00 H new ATOM 0 HA GLN A 106 7.075 -4.335 0.372 1.00 0.00 H new ATOM 0 HB2 GLN A 106 5.903 -6.779 -0.381 1.00 0.00 H new ATOM 0 HB3 GLN A 106 5.245 -5.552 0.684 1.00 0.00 H new ATOM 0 HG2 GLN A 106 3.931 -4.591 -1.021 1.00 0.00 H new ATOM 0 HG3 GLN A 106 4.870 -5.333 -2.301 1.00 0.00 H new ATOM 0 HE21 GLN A 106 2.639 -6.040 0.402 1.00 0.00 H new ATOM 0 HE22 GLN A 106 1.955 -7.507 -0.306 1.00 0.00 H new ATOM 1395 N GLN A 107 8.116 -6.107 -2.212 1.00 0.00 N ATOM 1396 CA GLN A 107 9.189 -6.963 -2.709 1.00 0.00 C ATOM 1397 C GLN A 107 10.546 -6.267 -2.643 1.00 0.00 C ATOM 1398 O GLN A 107 11.520 -6.842 -2.157 1.00 0.00 O ATOM 1399 CB GLN A 107 8.904 -7.392 -4.151 1.00 0.00 C ATOM 1400 CG GLN A 107 7.468 -7.828 -4.388 1.00 0.00 C ATOM 1401 CD GLN A 107 7.359 -9.278 -4.817 1.00 0.00 C ATOM 1402 OE1 GLN A 107 7.261 -10.178 -3.983 1.00 0.00 O ATOM 1403 NE2 GLN A 107 7.377 -9.511 -6.124 1.00 0.00 N ATOM 0 H GLN A 107 7.447 -5.815 -2.925 1.00 0.00 H new ATOM 0 HA GLN A 107 9.226 -7.842 -2.065 1.00 0.00 H new ATOM 0 HB2 GLN A 107 9.137 -6.563 -4.820 1.00 0.00 H new ATOM 0 HB3 GLN A 107 9.571 -8.212 -4.415 1.00 0.00 H new ATOM 0 HG2 GLN A 107 6.892 -7.680 -3.474 1.00 0.00 H new ATOM 0 HG3 GLN A 107 7.021 -7.193 -5.153 1.00 0.00 H new ATOM 0 HE21 GLN A 107 7.460 -8.734 -6.779 1.00 0.00 H new ATOM 0 HE22 GLN A 107 7.308 -10.467 -6.473 1.00 0.00 H new ATOM 1412 N SER A 108 10.612 -5.035 -3.140 1.00 0.00 N ATOM 1413 CA SER A 108 11.864 -4.283 -3.137 1.00 0.00 C ATOM 1414 C SER A 108 12.362 -4.060 -1.714 1.00 0.00 C ATOM 1415 O SER A 108 13.563 -4.110 -1.445 1.00 0.00 O ATOM 1416 CB SER A 108 11.677 -2.938 -3.841 1.00 0.00 C ATOM 1417 OG SER A 108 12.014 -3.029 -5.214 1.00 0.00 O ATOM 0 H SER A 108 9.819 -4.539 -3.547 1.00 0.00 H new ATOM 0 HA SER A 108 12.610 -4.867 -3.676 1.00 0.00 H new ATOM 0 HB2 SER A 108 10.642 -2.611 -3.738 1.00 0.00 H new ATOM 0 HB3 SER A 108 12.299 -2.183 -3.360 1.00 0.00 H new ATOM 0 HG SER A 108 11.884 -2.157 -5.641 1.00 0.00 H new ATOM 1423 N TYR A 109 11.426 -3.804 -0.812 1.00 0.00 N ATOM 1424 CA TYR A 109 11.749 -3.558 0.587 1.00 0.00 C ATOM 1425 C TYR A 109 11.956 -4.864 1.347 1.00 0.00 C ATOM 1426 O TYR A 109 12.879 -4.980 2.153 1.00 0.00 O ATOM 1427 CB TYR A 109 10.629 -2.719 1.214 1.00 0.00 C ATOM 1428 CG TYR A 109 10.101 -3.210 2.548 1.00 0.00 C ATOM 1429 CD1 TYR A 109 10.950 -3.441 3.624 1.00 0.00 C ATOM 1430 CD2 TYR A 109 8.743 -3.430 2.728 1.00 0.00 C ATOM 1431 CE1 TYR A 109 10.461 -3.877 4.837 1.00 0.00 C ATOM 1432 CE2 TYR A 109 8.246 -3.866 3.938 1.00 0.00 C ATOM 1433 CZ TYR A 109 9.109 -4.089 4.990 1.00 0.00 C ATOM 1434 OH TYR A 109 8.617 -4.524 6.199 1.00 0.00 O ATOM 0 H TYR A 109 10.430 -3.761 -1.026 1.00 0.00 H new ATOM 0 HA TYR A 109 12.688 -3.008 0.648 1.00 0.00 H new ATOM 0 HB2 TYR A 109 10.993 -1.700 1.342 1.00 0.00 H new ATOM 0 HB3 TYR A 109 9.798 -2.674 0.510 1.00 0.00 H new ATOM 0 HD1 TYR A 109 12.011 -3.276 3.508 1.00 0.00 H new ATOM 0 HD2 TYR A 109 8.064 -3.257 1.906 1.00 0.00 H new ATOM 0 HE1 TYR A 109 11.135 -4.051 5.663 1.00 0.00 H new ATOM 0 HE2 TYR A 109 7.186 -4.032 4.061 1.00 0.00 H new ATOM 0 HH TYR A 109 8.969 -3.959 6.918 1.00 0.00 H new ATOM 1444 N ASN A 110 11.093 -5.841 1.096 1.00 0.00 N ATOM 1445 CA ASN A 110 11.194 -7.128 1.775 1.00 0.00 C ATOM 1446 C ASN A 110 12.597 -7.700 1.627 1.00 0.00 C ATOM 1447 O ASN A 110 13.191 -8.181 2.591 1.00 0.00 O ATOM 1448 CB ASN A 110 10.163 -8.116 1.226 1.00 0.00 C ATOM 1449 CG ASN A 110 8.812 -7.977 1.900 1.00 0.00 C ATOM 1450 OD1 ASN A 110 8.727 -7.669 3.088 1.00 0.00 O ATOM 1451 ND2 ASN A 110 7.746 -8.204 1.141 1.00 0.00 N ATOM 0 H ASN A 110 10.321 -5.769 0.433 1.00 0.00 H new ATOM 0 HA ASN A 110 10.989 -6.968 2.834 1.00 0.00 H new ATOM 0 HB2 ASN A 110 10.049 -7.959 0.153 1.00 0.00 H new ATOM 0 HB3 ASN A 110 10.531 -9.133 1.362 1.00 0.00 H new ATOM 0 HD21 ASN A 110 6.810 -8.125 1.539 1.00 0.00 H new ATOM 0 HD22 ASN A 110 7.863 -8.457 0.160 1.00 0.00 H new ATOM 1458 N GLN A 111 13.133 -7.631 0.417 1.00 0.00 N ATOM 1459 CA GLN A 111 14.477 -8.130 0.171 1.00 0.00 C ATOM 1460 C GLN A 111 15.481 -7.316 0.972 1.00 0.00 C ATOM 1461 O GLN A 111 16.213 -7.854 1.801 1.00 0.00 O ATOM 1462 CB GLN A 111 14.830 -8.074 -1.319 1.00 0.00 C ATOM 1463 CG GLN A 111 14.534 -6.743 -1.991 1.00 0.00 C ATOM 1464 CD GLN A 111 14.395 -6.875 -3.494 1.00 0.00 C ATOM 1465 OE1 GLN A 111 13.286 -6.933 -4.025 1.00 0.00 O ATOM 1466 NE2 GLN A 111 15.526 -6.926 -4.189 1.00 0.00 N ATOM 0 H GLN A 111 12.665 -7.239 -0.400 1.00 0.00 H new ATOM 0 HA GLN A 111 14.515 -9.173 0.486 1.00 0.00 H new ATOM 0 HB2 GLN A 111 15.890 -8.297 -1.436 1.00 0.00 H new ATOM 0 HB3 GLN A 111 14.280 -8.859 -1.839 1.00 0.00 H new ATOM 0 HG2 GLN A 111 13.615 -6.327 -1.579 1.00 0.00 H new ATOM 0 HG3 GLN A 111 15.333 -6.038 -1.763 1.00 0.00 H new ATOM 0 HE21 GLN A 111 16.423 -6.874 -3.707 1.00 0.00 H new ATOM 0 HE22 GLN A 111 15.497 -7.017 -5.205 1.00 0.00 H new ATOM 1475 N ARG A 112 15.491 -6.011 0.725 1.00 0.00 N ATOM 1476 CA ARG A 112 16.388 -5.095 1.418 1.00 0.00 C ATOM 1477 C ARG A 112 16.343 -5.318 2.925 1.00 0.00 C ATOM 1478 O ARG A 112 17.374 -5.300 3.596 1.00 0.00 O ATOM 1479 CB ARG A 112 16.003 -3.648 1.103 1.00 0.00 C ATOM 1480 CG ARG A 112 16.878 -2.999 0.047 1.00 0.00 C ATOM 1481 CD ARG A 112 17.031 -1.508 0.299 1.00 0.00 C ATOM 1482 NE ARG A 112 18.077 -0.915 -0.532 1.00 0.00 N ATOM 1483 CZ ARG A 112 17.906 -0.573 -1.807 1.00 0.00 C ATOM 1484 NH1 ARG A 112 16.735 -0.765 -2.402 1.00 0.00 N ATOM 1485 NH2 ARG A 112 18.909 -0.036 -2.489 1.00 0.00 N ATOM 0 H ARG A 112 14.881 -5.561 0.043 1.00 0.00 H new ATOM 0 HA ARG A 112 17.403 -5.288 1.070 1.00 0.00 H new ATOM 0 HB2 ARG A 112 14.966 -3.622 0.769 1.00 0.00 H new ATOM 0 HB3 ARG A 112 16.057 -3.059 2.019 1.00 0.00 H new ATOM 0 HG2 ARG A 112 17.860 -3.472 0.044 1.00 0.00 H new ATOM 0 HG3 ARG A 112 16.443 -3.161 -0.939 1.00 0.00 H new ATOM 0 HD2 ARG A 112 16.083 -1.008 0.100 1.00 0.00 H new ATOM 0 HD3 ARG A 112 17.265 -1.340 1.350 1.00 0.00 H new ATOM 0 HE ARG A 112 18.992 -0.754 -0.110 1.00 0.00 H new ATOM 0 HH11 ARG A 112 15.960 -1.177 -1.882 1.00 0.00 H new ATOM 0 HH12 ARG A 112 16.610 -0.501 -3.379 1.00 0.00 H new ATOM 0 HH21 ARG A 112 19.811 0.115 -2.036 1.00 0.00 H new ATOM 0 HH22 ARG A 112 18.779 0.226 -3.466 1.00 0.00 H new ATOM 1499 N LYS A 113 15.142 -5.525 3.449 1.00 0.00 N ATOM 1500 CA LYS A 113 14.968 -5.748 4.880 1.00 0.00 C ATOM 1501 C LYS A 113 15.705 -7.011 5.322 1.00 0.00 C ATOM 1502 O LYS A 113 16.121 -7.129 6.475 1.00 0.00 O ATOM 1503 CB LYS A 113 13.473 -5.819 5.238 1.00 0.00 C ATOM 1504 CG LYS A 113 12.837 -7.197 5.093 1.00 0.00 C ATOM 1505 CD LYS A 113 11.954 -7.529 6.285 1.00 0.00 C ATOM 1506 CE LYS A 113 10.600 -6.843 6.183 1.00 0.00 C ATOM 1507 NZ LYS A 113 9.475 -7.808 6.323 1.00 0.00 N ATOM 0 H LYS A 113 14.277 -5.543 2.909 1.00 0.00 H new ATOM 0 HA LYS A 113 15.401 -4.905 5.418 1.00 0.00 H new ATOM 0 HB2 LYS A 113 13.346 -5.484 6.267 1.00 0.00 H new ATOM 0 HB3 LYS A 113 12.930 -5.117 4.605 1.00 0.00 H new ATOM 0 HG2 LYS A 113 12.245 -7.231 4.179 1.00 0.00 H new ATOM 0 HG3 LYS A 113 13.618 -7.951 4.995 1.00 0.00 H new ATOM 0 HD2 LYS A 113 11.813 -8.608 6.345 1.00 0.00 H new ATOM 0 HD3 LYS A 113 12.451 -7.221 7.205 1.00 0.00 H new ATOM 0 HE2 LYS A 113 10.521 -6.079 6.957 1.00 0.00 H new ATOM 0 HE3 LYS A 113 10.523 -6.333 5.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 8.652 -7.461 5.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 9.764 -8.734 5.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 9.223 -7.904 7.327 1.00 0.00 H new ATOM 1521 N SER A 114 15.865 -7.950 4.394 1.00 0.00 N ATOM 1522 CA SER A 114 16.556 -9.202 4.680 1.00 0.00 C ATOM 1523 C SER A 114 18.065 -9.050 4.499 1.00 0.00 C ATOM 1524 O SER A 114 18.848 -9.781 5.107 1.00 0.00 O ATOM 1525 CB SER A 114 16.033 -10.315 3.769 1.00 0.00 C ATOM 1526 OG SER A 114 14.786 -10.807 4.228 1.00 0.00 O ATOM 0 H SER A 114 15.525 -7.867 3.436 1.00 0.00 H new ATOM 0 HA SER A 114 16.359 -9.466 5.719 1.00 0.00 H new ATOM 0 HB2 SER A 114 15.926 -9.937 2.752 1.00 0.00 H new ATOM 0 HB3 SER A 114 16.757 -11.129 3.732 1.00 0.00 H new ATOM 0 HG SER A 114 14.473 -11.516 3.628 1.00 0.00 H new