USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 704 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 13 GLN : amide:sc= 0.783 K(o=2.6,f=0.89) USER MOD Set 1.2: A 88 GLN : amide:sc= 1.81 K(o=2.6,f=0.89) USER MOD Set 2.1: A 9 CYS SG : rot 76:sc= 0.59 USER MOD Set 2.2: A 81 CYS SG : rot -64:sc= 0.648 USER MOD Set 3.1: A 11 ASN : amide:sc= -4.41! C(o=-5.2!,f=-5.4!) USER MOD Set 3.2: A 17 HIS : no HE2:sc= -1.04! C(o=-5.2!,f=-9.1!) USER MOD Set 3.3: A 36 SER OG : rot 171:sc= 0.293 USER MOD Set 4.1: A 12 LYS NZ :NH3+ -163:sc= 1.03 (180deg=0) USER MOD Set 4.2: A 15 ASN : amide:sc= 2.38 K(o=3.4,f=-3) USER MOD Single : A 1 MET CE :methyl 179:sc= 0 (180deg=-0.00253) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0.685 (180deg=0.629) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 90:sc= -0.593 USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 167:sc= -0.124 (180deg=-0.572) USER MOD Single : A 22 CYS SG : rot 74:sc= -1.63 USER MOD Single : A 29 LYS NZ :NH3+ 154:sc= 1.12 (180deg=0.636) USER MOD Single : A 30 MET CE :methyl 170:sc= -0.0293 (180deg=-0.194) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -179:sc= 1.26 (180deg=1.19) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0.822 K(o=0.82,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.168 X(o=-0.17,f=-0.17) USER MOD Single : A 54 TYR OH : rot 30:sc= 0.186 USER MOD Single : A 55 CYS SG : rot -60:sc= -0.448 USER MOD Single : A 57 ASN : amide:sc= 1.18 K(o=1.2,f=-0.39) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= -0.0765 X(o=-0.076,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 4:sc= 1.11 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 14:sc= 0.857 USER MOD Single : A 80 GLN : amide:sc= 0.225 X(o=0.23,f=-0.038) USER MOD Single : A 82 LYS NZ :NH3+ 168:sc= 0.916 (180deg=0.804) USER MOD Single : A 86 LYS NZ :NH3+ -168:sc= 1.62 (180deg=1.46) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.440 -0.608 -0.971 1.00 0.00 N ATOM 2 CA MET A 1 3.100 -0.243 -2.243 1.00 0.00 C ATOM 3 C MET A 1 4.293 0.655 -1.936 1.00 0.00 C ATOM 4 O MET A 1 4.173 1.622 -1.182 1.00 0.00 O ATOM 5 CB MET A 1 2.139 0.417 -3.251 1.00 0.00 C ATOM 6 CG MET A 1 2.812 0.651 -4.614 1.00 0.00 C ATOM 7 SD MET A 1 3.476 -0.845 -5.400 1.00 0.00 S ATOM 8 CE MET A 1 4.235 -0.105 -6.872 1.00 0.00 C ATOM 0 H1 MET A 1 1.722 -1.339 -1.150 1.00 0.00 H new ATOM 0 H2 MET A 1 3.149 -0.975 -0.305 1.00 0.00 H new ATOM 0 H3 MET A 1 1.984 0.233 -0.563 1.00 0.00 H new ATOM 0 HA MET A 1 3.441 -1.158 -2.727 1.00 0.00 H new ATOM 0 HB2 MET A 1 1.261 -0.215 -3.383 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.789 1.368 -2.850 1.00 0.00 H new ATOM 0 HG2 MET A 1 2.087 1.108 -5.288 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.623 1.368 -4.485 1.00 0.00 H new ATOM 0 HE1 MET A 1 4.710 -0.885 -7.467 1.00 0.00 H new ATOM 0 HE2 MET A 1 3.467 0.389 -7.468 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.984 0.626 -6.567 1.00 0.00 H new ATOM 20 N GLU A 2 5.449 0.339 -2.517 1.00 0.00 N ATOM 21 CA GLU A 2 6.704 1.046 -2.318 1.00 0.00 C ATOM 22 C GLU A 2 7.255 1.314 -3.716 1.00 0.00 C ATOM 23 O GLU A 2 6.966 0.556 -4.651 1.00 0.00 O ATOM 24 CB GLU A 2 7.683 0.202 -1.478 1.00 0.00 C ATOM 25 CG GLU A 2 7.127 -0.242 -0.111 1.00 0.00 C ATOM 26 CD GLU A 2 6.226 -1.494 -0.170 1.00 0.00 C ATOM 27 OE1 GLU A 2 6.739 -2.604 -0.444 1.00 0.00 O ATOM 28 OE2 GLU A 2 5.006 -1.390 0.097 1.00 0.00 O ATOM 0 H GLU A 2 5.536 -0.446 -3.162 1.00 0.00 H new ATOM 0 HA GLU A 2 6.560 1.976 -1.768 1.00 0.00 H new ATOM 0 HB2 GLU A 2 7.962 -0.684 -2.048 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.594 0.778 -1.317 1.00 0.00 H new ATOM 0 HG2 GLU A 2 7.962 -0.441 0.561 1.00 0.00 H new ATOM 0 HG3 GLU A 2 6.558 0.581 0.322 1.00 0.00 H new ATOM 35 N TRP A 3 8.036 2.379 -3.869 1.00 0.00 N ATOM 36 CA TRP A 3 8.448 2.884 -5.165 1.00 0.00 C ATOM 37 C TRP A 3 9.969 2.932 -5.245 1.00 0.00 C ATOM 38 O TRP A 3 10.654 2.961 -4.222 1.00 0.00 O ATOM 39 CB TRP A 3 7.852 4.283 -5.404 1.00 0.00 C ATOM 40 CG TRP A 3 6.398 4.460 -5.081 1.00 0.00 C ATOM 41 CD1 TRP A 3 5.913 5.024 -3.953 1.00 0.00 C ATOM 42 CD2 TRP A 3 5.225 4.098 -5.873 1.00 0.00 C ATOM 43 NE1 TRP A 3 4.534 5.029 -3.981 1.00 0.00 N ATOM 44 CE2 TRP A 3 4.053 4.466 -5.143 1.00 0.00 C ATOM 45 CE3 TRP A 3 5.032 3.503 -7.138 1.00 0.00 C ATOM 46 CZ2 TRP A 3 2.759 4.247 -5.642 1.00 0.00 C ATOM 47 CZ3 TRP A 3 3.739 3.284 -7.651 1.00 0.00 C ATOM 48 CH2 TRP A 3 2.604 3.651 -6.906 1.00 0.00 C ATOM 0 H TRP A 3 8.402 2.919 -3.085 1.00 0.00 H new ATOM 0 HA TRP A 3 8.078 2.214 -5.941 1.00 0.00 H new ATOM 0 HB2 TRP A 3 8.422 5.001 -4.814 1.00 0.00 H new ATOM 0 HB3 TRP A 3 8.002 4.542 -6.452 1.00 0.00 H new ATOM 0 HD1 TRP A 3 6.517 5.414 -3.147 1.00 0.00 H new ATOM 0 HE1 TRP A 3 3.945 5.402 -3.236 1.00 0.00 H new ATOM 0 HE3 TRP A 3 5.891 3.210 -7.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 1.894 4.533 -5.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 3.618 2.831 -8.624 1.00 0.00 H new ATOM 0 HH2 TRP A 3 1.615 3.475 -7.304 1.00 0.00 H new ATOM 59 N LEU A 4 10.486 3.001 -6.467 1.00 0.00 N ATOM 60 CA LEU A 4 11.888 3.185 -6.785 1.00 0.00 C ATOM 61 C LEU A 4 12.020 4.546 -7.448 1.00 0.00 C ATOM 62 O LEU A 4 11.294 4.862 -8.389 1.00 0.00 O ATOM 63 CB LEU A 4 12.328 2.068 -7.738 1.00 0.00 C ATOM 64 CG LEU A 4 13.781 2.137 -8.243 1.00 0.00 C ATOM 65 CD1 LEU A 4 14.795 1.902 -7.120 1.00 0.00 C ATOM 66 CD2 LEU A 4 13.983 1.071 -9.328 1.00 0.00 C ATOM 0 H LEU A 4 9.904 2.926 -7.302 1.00 0.00 H new ATOM 0 HA LEU A 4 12.517 3.143 -5.896 1.00 0.00 H new ATOM 0 HB2 LEU A 4 12.186 1.112 -7.234 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.664 2.074 -8.603 1.00 0.00 H new ATOM 0 HG LEU A 4 13.949 3.138 -8.640 1.00 0.00 H new ATOM 0 HD11 LEU A 4 15.806 1.960 -7.524 1.00 0.00 H new ATOM 0 HD12 LEU A 4 14.668 2.663 -6.350 1.00 0.00 H new ATOM 0 HD13 LEU A 4 14.634 0.915 -6.685 1.00 0.00 H new ATOM 0 HD21 LEU A 4 15.010 1.112 -9.692 1.00 0.00 H new ATOM 0 HD22 LEU A 4 13.786 0.084 -8.910 1.00 0.00 H new ATOM 0 HD23 LEU A 4 13.297 1.258 -10.154 1.00 0.00 H new ATOM 78 N VAL A 5 12.953 5.338 -6.946 1.00 0.00 N ATOM 79 CA VAL A 5 13.415 6.577 -7.555 1.00 0.00 C ATOM 80 C VAL A 5 14.346 6.130 -8.668 1.00 0.00 C ATOM 81 O VAL A 5 15.420 5.588 -8.360 1.00 0.00 O ATOM 82 CB VAL A 5 14.172 7.461 -6.538 1.00 0.00 C ATOM 83 CG1 VAL A 5 14.567 8.808 -7.155 1.00 0.00 C ATOM 84 CG2 VAL A 5 13.322 7.721 -5.284 1.00 0.00 C ATOM 0 H VAL A 5 13.429 5.128 -6.069 1.00 0.00 H new ATOM 0 HA VAL A 5 12.585 7.183 -7.918 1.00 0.00 H new ATOM 0 HB VAL A 5 15.073 6.915 -6.257 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.098 9.406 -6.414 1.00 0.00 H new ATOM 0 HG12 VAL A 5 15.214 8.638 -8.015 1.00 0.00 H new ATOM 0 HG13 VAL A 5 13.670 9.339 -7.475 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.882 8.345 -4.588 1.00 0.00 H new ATOM 0 HG22 VAL A 5 12.401 8.230 -5.568 1.00 0.00 H new ATOM 0 HG23 VAL A 5 13.079 6.772 -4.806 1.00 0.00 H new ATOM 94 N LYS A 6 13.917 6.356 -9.917 1.00 0.00 N ATOM 95 CA LYS A 6 14.668 6.077 -11.150 1.00 0.00 C ATOM 96 C LYS A 6 15.272 7.342 -11.770 1.00 0.00 C ATOM 97 O LYS A 6 16.208 7.224 -12.555 1.00 0.00 O ATOM 98 CB LYS A 6 13.752 5.398 -12.182 1.00 0.00 C ATOM 99 CG LYS A 6 13.692 3.869 -11.999 1.00 0.00 C ATOM 100 CD LYS A 6 14.654 3.091 -12.919 1.00 0.00 C ATOM 101 CE LYS A 6 16.099 3.623 -12.921 1.00 0.00 C ATOM 102 NZ LYS A 6 17.006 2.783 -13.746 1.00 0.00 N ATOM 0 H LYS A 6 12.997 6.756 -10.104 1.00 0.00 H new ATOM 0 HA LYS A 6 15.490 5.415 -10.877 1.00 0.00 H new ATOM 0 HB2 LYS A 6 12.747 5.811 -12.098 1.00 0.00 H new ATOM 0 HB3 LYS A 6 14.108 5.627 -13.186 1.00 0.00 H new ATOM 0 HG2 LYS A 6 13.923 3.628 -10.961 1.00 0.00 H new ATOM 0 HG3 LYS A 6 12.673 3.530 -12.186 1.00 0.00 H new ATOM 0 HD2 LYS A 6 14.665 2.045 -12.612 1.00 0.00 H new ATOM 0 HD3 LYS A 6 14.267 3.120 -13.938 1.00 0.00 H new ATOM 0 HE2 LYS A 6 16.108 4.645 -13.301 1.00 0.00 H new ATOM 0 HE3 LYS A 6 16.472 3.660 -11.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 17.967 3.179 -13.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 17.020 1.814 -13.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 16.667 2.768 -14.729 1.00 0.00 H new ATOM 116 N LYS A 7 14.769 8.532 -11.426 1.00 0.00 N ATOM 117 CA LYS A 7 15.334 9.840 -11.773 1.00 0.00 C ATOM 118 C LYS A 7 15.018 10.761 -10.602 1.00 0.00 C ATOM 119 O LYS A 7 14.005 10.543 -9.932 1.00 0.00 O ATOM 120 CB LYS A 7 14.758 10.422 -13.078 1.00 0.00 C ATOM 121 CG LYS A 7 15.085 9.555 -14.302 1.00 0.00 C ATOM 122 CD LYS A 7 14.828 10.311 -15.609 1.00 0.00 C ATOM 123 CE LYS A 7 14.916 9.382 -16.826 1.00 0.00 C ATOM 124 NZ LYS A 7 16.311 8.999 -17.167 1.00 0.00 N ATOM 0 H LYS A 7 13.917 8.613 -10.872 1.00 0.00 H new ATOM 0 HA LYS A 7 16.405 9.740 -11.949 1.00 0.00 H new ATOM 0 HB2 LYS A 7 13.676 10.518 -12.983 1.00 0.00 H new ATOM 0 HB3 LYS A 7 15.155 11.426 -13.231 1.00 0.00 H new ATOM 0 HG2 LYS A 7 16.128 9.243 -14.260 1.00 0.00 H new ATOM 0 HG3 LYS A 7 14.480 8.649 -14.279 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.842 10.774 -15.574 1.00 0.00 H new ATOM 0 HD3 LYS A 7 15.555 11.117 -15.713 1.00 0.00 H new ATOM 0 HE2 LYS A 7 14.336 8.480 -16.630 1.00 0.00 H new ATOM 0 HE3 LYS A 7 14.460 9.874 -17.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 16.306 8.372 -17.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 16.863 9.854 -17.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 16.742 8.503 -16.361 1.00 0.00 H new ATOM 138 N SER A 8 15.844 11.773 -10.364 1.00 0.00 N ATOM 139 CA SER A 8 15.723 12.684 -9.237 1.00 0.00 C ATOM 140 C SER A 8 16.356 14.020 -9.626 1.00 0.00 C ATOM 141 O SER A 8 17.456 14.053 -10.188 1.00 0.00 O ATOM 142 CB SER A 8 16.438 12.070 -8.025 1.00 0.00 C ATOM 143 OG SER A 8 17.657 11.447 -8.409 1.00 0.00 O ATOM 0 H SER A 8 16.638 11.987 -10.968 1.00 0.00 H new ATOM 0 HA SER A 8 14.678 12.849 -8.976 1.00 0.00 H new ATOM 0 HB2 SER A 8 16.640 12.846 -7.287 1.00 0.00 H new ATOM 0 HB3 SER A 8 15.787 11.338 -7.548 1.00 0.00 H new ATOM 0 HG SER A 8 18.387 12.099 -8.361 1.00 0.00 H new ATOM 149 N CYS A 9 15.664 15.116 -9.327 1.00 0.00 N ATOM 150 CA CYS A 9 16.197 16.471 -9.421 1.00 0.00 C ATOM 151 C CYS A 9 16.984 16.793 -8.141 1.00 0.00 C ATOM 152 O CYS A 9 16.845 16.100 -7.130 1.00 0.00 O ATOM 153 CB CYS A 9 15.045 17.475 -9.607 1.00 0.00 C ATOM 154 SG CYS A 9 14.035 17.035 -11.050 1.00 0.00 S ATOM 0 H CYS A 9 14.696 15.086 -9.006 1.00 0.00 H new ATOM 0 HA CYS A 9 16.863 16.545 -10.281 1.00 0.00 H new ATOM 0 HB2 CYS A 9 14.422 17.491 -8.713 1.00 0.00 H new ATOM 0 HB3 CYS A 9 15.449 18.480 -9.732 1.00 0.00 H new ATOM 0 HG CYS A 9 13.280 16.018 -10.758 1.00 0.00 H new ATOM 160 N CYS A 10 17.736 17.896 -8.159 1.00 0.00 N ATOM 161 CA CYS A 10 18.384 18.491 -6.993 1.00 0.00 C ATOM 162 C CYS A 10 18.063 19.987 -7.048 1.00 0.00 C ATOM 163 O CYS A 10 18.258 20.608 -8.098 1.00 0.00 O ATOM 164 CB CYS A 10 19.902 18.255 -7.036 1.00 0.00 C ATOM 165 SG CYS A 10 20.302 16.479 -7.047 1.00 0.00 S ATOM 0 H CYS A 10 17.915 18.416 -9.018 1.00 0.00 H new ATOM 0 HA CYS A 10 18.025 18.044 -6.066 1.00 0.00 H new ATOM 0 HB2 CYS A 10 20.320 18.728 -7.925 1.00 0.00 H new ATOM 0 HB3 CYS A 10 20.369 18.729 -6.173 1.00 0.00 H new ATOM 0 HG CYS A 10 21.592 16.325 -7.086 1.00 0.00 H new ATOM 171 N ASN A 11 17.533 20.561 -5.964 1.00 0.00 N ATOM 172 CA ASN A 11 17.054 21.943 -5.934 1.00 0.00 C ATOM 173 C ASN A 11 17.185 22.539 -4.533 1.00 0.00 C ATOM 174 O ASN A 11 17.019 21.850 -3.527 1.00 0.00 O ATOM 175 CB ASN A 11 15.577 22.027 -6.399 1.00 0.00 C ATOM 176 CG ASN A 11 14.576 22.157 -5.256 1.00 0.00 C ATOM 177 OD1 ASN A 11 14.117 23.254 -4.951 1.00 0.00 O ATOM 178 ND2 ASN A 11 14.277 21.067 -4.569 1.00 0.00 N ATOM 0 H ASN A 11 17.424 20.073 -5.075 1.00 0.00 H new ATOM 0 HA ASN A 11 17.675 22.519 -6.620 1.00 0.00 H new ATOM 0 HB2 ASN A 11 15.464 22.881 -7.066 1.00 0.00 H new ATOM 0 HB3 ASN A 11 15.338 21.136 -6.979 1.00 0.00 H new ATOM 0 HD21 ASN A 11 13.652 21.126 -3.765 1.00 0.00 H new ATOM 0 HD22 ASN A 11 14.672 20.167 -4.843 1.00 0.00 H new ATOM 185 N LYS A 12 17.401 23.854 -4.496 1.00 0.00 N ATOM 186 CA LYS A 12 17.270 24.691 -3.310 1.00 0.00 C ATOM 187 C LYS A 12 16.548 25.999 -3.631 1.00 0.00 C ATOM 188 O LYS A 12 16.365 26.824 -2.736 1.00 0.00 O ATOM 189 CB LYS A 12 18.652 24.938 -2.671 1.00 0.00 C ATOM 190 CG LYS A 12 18.795 24.097 -1.405 1.00 0.00 C ATOM 191 CD LYS A 12 17.862 24.587 -0.279 1.00 0.00 C ATOM 192 CE LYS A 12 18.039 23.703 0.965 1.00 0.00 C ATOM 193 NZ LYS A 12 17.007 23.957 2.001 1.00 0.00 N ATOM 0 H LYS A 12 17.682 24.382 -5.322 1.00 0.00 H new ATOM 0 HA LYS A 12 16.656 24.162 -2.581 1.00 0.00 H new ATOM 0 HB2 LYS A 12 19.441 24.683 -3.379 1.00 0.00 H new ATOM 0 HB3 LYS A 12 18.768 25.995 -2.431 1.00 0.00 H new ATOM 0 HG2 LYS A 12 18.571 23.055 -1.634 1.00 0.00 H new ATOM 0 HG3 LYS A 12 19.829 24.132 -1.061 1.00 0.00 H new ATOM 0 HD2 LYS A 12 18.087 25.625 -0.034 1.00 0.00 H new ATOM 0 HD3 LYS A 12 16.825 24.556 -0.614 1.00 0.00 H new ATOM 0 HE2 LYS A 12 18.000 22.655 0.669 1.00 0.00 H new ATOM 0 HE3 LYS A 12 19.027 23.877 1.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 17.324 23.564 2.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 16.859 24.982 2.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 16.114 23.503 1.720 1.00 0.00 H new ATOM 207 N GLN A 13 16.124 26.190 -4.884 1.00 0.00 N ATOM 208 CA GLN A 13 15.425 27.399 -5.284 1.00 0.00 C ATOM 209 C GLN A 13 14.014 27.430 -4.701 1.00 0.00 C ATOM 210 O GLN A 13 13.467 28.520 -4.524 1.00 0.00 O ATOM 211 CB GLN A 13 15.372 27.510 -6.819 1.00 0.00 C ATOM 212 CG GLN A 13 16.750 27.687 -7.478 1.00 0.00 C ATOM 213 CD GLN A 13 17.399 29.025 -7.114 1.00 0.00 C ATOM 214 OE1 GLN A 13 16.866 30.088 -7.424 1.00 0.00 O ATOM 215 NE2 GLN A 13 18.546 29.016 -6.455 1.00 0.00 N ATOM 0 H GLN A 13 16.257 25.515 -5.637 1.00 0.00 H new ATOM 0 HA GLN A 13 15.976 28.254 -4.892 1.00 0.00 H new ATOM 0 HB2 GLN A 13 14.899 26.614 -7.222 1.00 0.00 H new ATOM 0 HB3 GLN A 13 14.739 28.354 -7.091 1.00 0.00 H new ATOM 0 HG2 GLN A 13 17.405 26.872 -7.170 1.00 0.00 H new ATOM 0 HG3 GLN A 13 16.644 27.619 -8.561 1.00 0.00 H new ATOM 0 HE21 GLN A 13 18.982 28.129 -6.202 1.00 0.00 H new ATOM 0 HE22 GLN A 13 18.995 29.896 -6.200 1.00 0.00 H new ATOM 224 N ASP A 14 13.417 26.271 -4.382 1.00 0.00 N ATOM 225 CA ASP A 14 12.126 26.260 -3.676 1.00 0.00 C ATOM 226 C ASP A 14 11.928 25.060 -2.746 1.00 0.00 C ATOM 227 O ASP A 14 10.853 24.879 -2.180 1.00 0.00 O ATOM 228 CB ASP A 14 10.979 26.358 -4.694 1.00 0.00 C ATOM 229 CG ASP A 14 9.726 27.035 -4.116 1.00 0.00 C ATOM 230 OD1 ASP A 14 9.844 27.935 -3.253 1.00 0.00 O ATOM 231 OD2 ASP A 14 8.635 26.773 -4.665 1.00 0.00 O ATOM 0 H ASP A 14 13.797 25.349 -4.596 1.00 0.00 H new ATOM 0 HA ASP A 14 12.124 27.132 -3.022 1.00 0.00 H new ATOM 0 HB2 ASP A 14 11.319 26.917 -5.565 1.00 0.00 H new ATOM 0 HB3 ASP A 14 10.719 25.357 -5.039 1.00 0.00 H new ATOM 236 N ASN A 15 12.955 24.213 -2.611 1.00 0.00 N ATOM 237 CA ASN A 15 13.016 22.966 -1.839 1.00 0.00 C ATOM 238 C ASN A 15 12.087 21.866 -2.386 1.00 0.00 C ATOM 239 O ASN A 15 12.210 20.705 -2.001 1.00 0.00 O ATOM 240 CB ASN A 15 12.832 23.242 -0.333 1.00 0.00 C ATOM 241 CG ASN A 15 13.633 22.295 0.558 1.00 0.00 C ATOM 242 OD1 ASN A 15 14.491 22.734 1.321 1.00 0.00 O ATOM 243 ND2 ASN A 15 13.394 21.000 0.479 1.00 0.00 N ATOM 0 H ASN A 15 13.842 24.399 -3.080 1.00 0.00 H new ATOM 0 HA ASN A 15 14.017 22.554 -1.964 1.00 0.00 H new ATOM 0 HB2 ASN A 15 13.130 24.269 -0.120 1.00 0.00 H new ATOM 0 HB3 ASN A 15 11.775 23.158 -0.082 1.00 0.00 H new ATOM 0 HD21 ASN A 15 13.925 20.347 1.056 1.00 0.00 H new ATOM 0 HD22 ASN A 15 12.679 20.651 -0.159 1.00 0.00 H new ATOM 250 N ARG A 16 11.216 22.185 -3.342 1.00 0.00 N ATOM 251 CA ARG A 16 10.363 21.235 -4.054 1.00 0.00 C ATOM 252 C ARG A 16 11.195 20.456 -5.075 1.00 0.00 C ATOM 253 O ARG A 16 11.525 20.992 -6.132 1.00 0.00 O ATOM 254 CB ARG A 16 9.220 21.977 -4.759 1.00 0.00 C ATOM 255 CG ARG A 16 8.259 22.661 -3.770 1.00 0.00 C ATOM 256 CD ARG A 16 7.034 23.267 -4.467 1.00 0.00 C ATOM 257 NE ARG A 16 7.422 24.397 -5.323 1.00 0.00 N ATOM 258 CZ ARG A 16 7.724 24.372 -6.623 1.00 0.00 C ATOM 259 NH1 ARG A 16 7.428 23.327 -7.387 1.00 0.00 N ATOM 260 NH2 ARG A 16 8.362 25.422 -7.122 1.00 0.00 N ATOM 0 H ARG A 16 11.080 23.147 -3.653 1.00 0.00 H new ATOM 0 HA ARG A 16 9.934 20.535 -3.337 1.00 0.00 H new ATOM 0 HB2 ARG A 16 9.638 22.727 -5.431 1.00 0.00 H new ATOM 0 HB3 ARG A 16 8.661 21.273 -5.375 1.00 0.00 H new ATOM 0 HG2 ARG A 16 7.929 21.934 -3.028 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.793 23.445 -3.233 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.538 22.504 -5.068 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.314 23.602 -3.720 1.00 0.00 H new ATOM 0 HE ARG A 16 7.466 25.310 -4.869 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.958 22.517 -6.983 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.670 23.335 -8.378 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.603 26.207 -6.517 1.00 0.00 H new ATOM 0 HH22 ARG A 16 8.612 25.444 -8.111 1.00 0.00 H new ATOM 274 N HIS A 17 11.577 19.225 -4.747 1.00 0.00 N ATOM 275 CA HIS A 17 12.220 18.304 -5.674 1.00 0.00 C ATOM 276 C HIS A 17 11.172 17.650 -6.574 1.00 0.00 C ATOM 277 O HIS A 17 9.975 17.697 -6.295 1.00 0.00 O ATOM 278 CB HIS A 17 12.984 17.231 -4.880 1.00 0.00 C ATOM 279 CG HIS A 17 14.233 17.777 -4.251 1.00 0.00 C ATOM 280 ND1 HIS A 17 14.413 18.127 -2.933 1.00 0.00 N ATOM 281 CD2 HIS A 17 15.386 18.083 -4.914 1.00 0.00 C ATOM 282 CE1 HIS A 17 15.650 18.636 -2.807 1.00 0.00 C ATOM 283 NE2 HIS A 17 16.275 18.653 -4.000 1.00 0.00 N ATOM 0 H HIS A 17 11.445 18.835 -3.814 1.00 0.00 H new ATOM 0 HA HIS A 17 12.922 18.853 -6.302 1.00 0.00 H new ATOM 0 HB2 HIS A 17 12.336 16.824 -4.104 1.00 0.00 H new ATOM 0 HB3 HIS A 17 13.243 16.406 -5.543 1.00 0.00 H new ATOM 0 HD1 HIS A 17 13.729 18.019 -2.184 1.00 0.00 H new ATOM 0 HD2 HIS A 17 15.578 17.914 -5.963 1.00 0.00 H new ATOM 0 HE1 HIS A 17 16.082 18.983 -1.880 1.00 0.00 H new ATOM 291 N VAL A 18 11.630 16.970 -7.624 1.00 0.00 N ATOM 292 CA VAL A 18 10.799 16.100 -8.442 1.00 0.00 C ATOM 293 C VAL A 18 11.628 14.861 -8.708 1.00 0.00 C ATOM 294 O VAL A 18 12.852 14.938 -8.860 1.00 0.00 O ATOM 295 CB VAL A 18 10.367 16.758 -9.773 1.00 0.00 C ATOM 296 CG1 VAL A 18 9.151 16.049 -10.390 1.00 0.00 C ATOM 297 CG2 VAL A 18 10.039 18.252 -9.664 1.00 0.00 C ATOM 0 H VAL A 18 12.602 17.011 -7.931 1.00 0.00 H new ATOM 0 HA VAL A 18 9.871 15.873 -7.918 1.00 0.00 H new ATOM 0 HB VAL A 18 11.243 16.652 -10.413 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.878 16.541 -11.324 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.400 15.006 -10.588 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.312 16.096 -9.696 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.746 18.632 -10.642 1.00 0.00 H new ATOM 0 HG22 VAL A 18 9.220 18.394 -8.959 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.918 18.793 -9.313 1.00 0.00 H new ATOM 307 N LEU A 19 10.959 13.718 -8.720 1.00 0.00 N ATOM 308 CA LEU A 19 11.574 12.429 -8.977 1.00 0.00 C ATOM 309 C LEU A 19 10.623 11.596 -9.827 1.00 0.00 C ATOM 310 O LEU A 19 9.440 11.930 -9.962 1.00 0.00 O ATOM 311 CB LEU A 19 11.989 11.677 -7.687 1.00 0.00 C ATOM 312 CG LEU A 19 11.611 12.210 -6.285 1.00 0.00 C ATOM 313 CD1 LEU A 19 11.950 11.111 -5.279 1.00 0.00 C ATOM 314 CD2 LEU A 19 12.390 13.476 -5.889 1.00 0.00 C ATOM 0 H LEU A 19 9.955 13.662 -8.548 1.00 0.00 H new ATOM 0 HA LEU A 19 12.506 12.601 -9.516 1.00 0.00 H new ATOM 0 HB2 LEU A 19 11.582 10.669 -7.763 1.00 0.00 H new ATOM 0 HB3 LEU A 19 13.075 11.585 -7.709 1.00 0.00 H new ATOM 0 HG LEU A 19 10.553 12.472 -6.295 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.698 11.448 -4.273 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.379 10.213 -5.515 1.00 0.00 H new ATOM 0 HD13 LEU A 19 13.016 10.887 -5.330 1.00 0.00 H new ATOM 0 HD21 LEU A 19 12.079 13.799 -4.896 1.00 0.00 H new ATOM 0 HD22 LEU A 19 13.458 13.259 -5.882 1.00 0.00 H new ATOM 0 HD23 LEU A 19 12.186 14.269 -6.609 1.00 0.00 H new ATOM 326 N MET A 20 11.134 10.495 -10.381 1.00 0.00 N ATOM 327 CA MET A 20 10.324 9.531 -11.102 1.00 0.00 C ATOM 328 C MET A 20 10.137 8.349 -10.184 1.00 0.00 C ATOM 329 O MET A 20 11.084 7.606 -9.910 1.00 0.00 O ATOM 330 CB MET A 20 10.933 9.146 -12.451 1.00 0.00 C ATOM 331 CG MET A 20 10.469 10.175 -13.482 1.00 0.00 C ATOM 332 SD MET A 20 11.200 10.040 -15.134 1.00 0.00 S ATOM 333 CE MET A 20 10.869 8.304 -15.534 1.00 0.00 C ATOM 0 H MET A 20 12.124 10.253 -10.338 1.00 0.00 H new ATOM 0 HA MET A 20 9.357 9.962 -11.362 1.00 0.00 H new ATOM 0 HB2 MET A 20 12.021 9.131 -12.389 1.00 0.00 H new ATOM 0 HB3 MET A 20 10.616 8.144 -12.741 1.00 0.00 H new ATOM 0 HG2 MET A 20 9.386 10.098 -13.579 1.00 0.00 H new ATOM 0 HG3 MET A 20 10.684 11.170 -13.093 1.00 0.00 H new ATOM 0 HE1 MET A 20 11.050 8.134 -16.595 1.00 0.00 H new ATOM 0 HE2 MET A 20 11.527 7.663 -14.947 1.00 0.00 H new ATOM 0 HE3 MET A 20 9.831 8.068 -15.301 1.00 0.00 H new ATOM 343 N LEU A 21 8.915 8.252 -9.674 1.00 0.00 N ATOM 344 CA LEU A 21 8.474 7.170 -8.809 1.00 0.00 C ATOM 345 C LEU A 21 8.099 6.027 -9.717 1.00 0.00 C ATOM 346 O LEU A 21 7.366 6.215 -10.680 1.00 0.00 O ATOM 347 CB LEU A 21 7.244 7.572 -7.980 1.00 0.00 C ATOM 348 CG LEU A 21 7.634 8.044 -6.577 1.00 0.00 C ATOM 349 CD1 LEU A 21 8.573 9.258 -6.634 1.00 0.00 C ATOM 350 CD2 LEU A 21 6.365 8.362 -5.779 1.00 0.00 C ATOM 0 H LEU A 21 8.187 8.942 -9.857 1.00 0.00 H new ATOM 0 HA LEU A 21 9.267 6.907 -8.109 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.703 8.367 -8.494 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.565 6.723 -7.902 1.00 0.00 H new ATOM 0 HG LEU A 21 8.180 7.245 -6.076 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.830 9.567 -5.621 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.482 8.990 -7.173 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.075 10.080 -7.149 1.00 0.00 H new ATOM 0 HD21 LEU A 21 6.639 8.699 -4.779 1.00 0.00 H new ATOM 0 HD22 LEU A 21 5.804 9.148 -6.285 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.748 7.466 -5.704 1.00 0.00 H new ATOM 362 N CYS A 22 8.587 4.842 -9.407 1.00 0.00 N ATOM 363 CA CYS A 22 8.449 3.693 -10.276 1.00 0.00 C ATOM 364 C CYS A 22 8.155 2.469 -9.432 1.00 0.00 C ATOM 365 O CYS A 22 8.359 2.491 -8.222 1.00 0.00 O ATOM 366 CB CYS A 22 9.746 3.501 -11.075 1.00 0.00 C ATOM 367 SG CYS A 22 10.207 5.035 -11.935 1.00 0.00 S ATOM 0 H CYS A 22 9.092 4.650 -8.542 1.00 0.00 H new ATOM 0 HA CYS A 22 7.628 3.846 -10.977 1.00 0.00 H new ATOM 0 HB2 CYS A 22 10.550 3.199 -10.404 1.00 0.00 H new ATOM 0 HB3 CYS A 22 9.616 2.697 -11.800 1.00 0.00 H new ATOM 0 HG CYS A 22 10.661 5.896 -11.073 1.00 0.00 H new ATOM 373 N ASP A 23 7.681 1.402 -10.063 1.00 0.00 N ATOM 374 CA ASP A 23 7.610 0.082 -9.437 1.00 0.00 C ATOM 375 C ASP A 23 8.997 -0.262 -8.868 1.00 0.00 C ATOM 376 O ASP A 23 10.008 0.184 -9.419 1.00 0.00 O ATOM 377 CB ASP A 23 7.157 -0.933 -10.499 1.00 0.00 C ATOM 378 CG ASP A 23 7.727 -2.340 -10.268 1.00 0.00 C ATOM 379 OD1 ASP A 23 7.178 -3.084 -9.423 1.00 0.00 O ATOM 380 OD2 ASP A 23 8.722 -2.680 -10.945 1.00 0.00 O ATOM 0 H ASP A 23 7.335 1.424 -11.022 1.00 0.00 H new ATOM 0 HA ASP A 23 6.892 0.062 -8.617 1.00 0.00 H new ATOM 0 HB2 ASP A 23 6.068 -0.985 -10.503 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.463 -0.581 -11.484 1.00 0.00 H new ATOM 385 N ALA A 24 9.058 -1.038 -7.781 1.00 0.00 N ATOM 386 CA ALA A 24 10.295 -1.562 -7.203 1.00 0.00 C ATOM 387 C ALA A 24 10.965 -2.562 -8.170 1.00 0.00 C ATOM 388 O ALA A 24 10.923 -3.778 -7.959 1.00 0.00 O ATOM 389 CB ALA A 24 10.003 -2.162 -5.821 1.00 0.00 C ATOM 0 H ALA A 24 8.225 -1.325 -7.267 1.00 0.00 H new ATOM 0 HA ALA A 24 11.011 -0.753 -7.059 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.926 -2.552 -5.391 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.597 -1.390 -5.168 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.279 -2.971 -5.921 1.00 0.00 H new ATOM 395 N GLY A 25 11.545 -2.042 -9.254 1.00 0.00 N ATOM 396 CA GLY A 25 12.038 -2.801 -10.399 1.00 0.00 C ATOM 397 C GLY A 25 11.965 -2.014 -11.712 1.00 0.00 C ATOM 398 O GLY A 25 12.608 -2.392 -12.693 1.00 0.00 O ATOM 0 H GLY A 25 11.689 -1.038 -9.360 1.00 0.00 H new ATOM 0 HA2 GLY A 25 13.071 -3.096 -10.215 1.00 0.00 H new ATOM 0 HA3 GLY A 25 11.457 -3.718 -10.498 1.00 0.00 H new ATOM 402 N GLY A 26 11.214 -0.910 -11.733 1.00 0.00 N ATOM 403 CA GLY A 26 11.095 0.013 -12.855 1.00 0.00 C ATOM 404 C GLY A 26 9.997 -0.352 -13.859 1.00 0.00 C ATOM 405 O GLY A 26 9.907 0.315 -14.891 1.00 0.00 O ATOM 0 H GLY A 26 10.650 -0.626 -10.932 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.899 1.013 -12.468 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.050 0.055 -13.378 1.00 0.00 H new ATOM 409 N ALA A 27 9.175 -1.381 -13.605 1.00 0.00 N ATOM 410 CA ALA A 27 8.228 -1.911 -14.592 1.00 0.00 C ATOM 411 C ALA A 27 7.057 -0.961 -14.912 1.00 0.00 C ATOM 412 O ALA A 27 6.386 -1.134 -15.931 1.00 0.00 O ATOM 413 CB ALA A 27 7.681 -3.256 -14.101 1.00 0.00 C ATOM 0 H ALA A 27 9.150 -1.868 -12.709 1.00 0.00 H new ATOM 0 HA ALA A 27 8.785 -2.029 -15.521 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.977 -3.652 -14.833 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.504 -3.959 -13.973 1.00 0.00 H new ATOM 0 HB3 ALA A 27 7.172 -3.116 -13.147 1.00 0.00 H new ATOM 419 N ILE A 28 6.803 0.025 -14.051 1.00 0.00 N ATOM 420 CA ILE A 28 5.770 1.055 -14.160 1.00 0.00 C ATOM 421 C ILE A 28 6.472 2.331 -13.698 1.00 0.00 C ATOM 422 O ILE A 28 7.320 2.247 -12.804 1.00 0.00 O ATOM 423 CB ILE A 28 4.550 0.705 -13.262 1.00 0.00 C ATOM 424 CG1 ILE A 28 3.905 -0.634 -13.697 1.00 0.00 C ATOM 425 CG2 ILE A 28 3.502 1.840 -13.256 1.00 0.00 C ATOM 426 CD1 ILE A 28 2.714 -1.082 -12.841 1.00 0.00 C ATOM 0 H ILE A 28 7.353 0.132 -13.199 1.00 0.00 H new ATOM 0 HA ILE A 28 5.368 1.154 -15.168 1.00 0.00 H new ATOM 0 HB ILE A 28 4.920 0.592 -12.243 1.00 0.00 H new ATOM 0 HG12 ILE A 28 3.577 -0.543 -14.732 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.667 -1.413 -13.671 1.00 0.00 H new ATOM 0 HG21 ILE A 28 2.665 1.559 -12.618 1.00 0.00 H new ATOM 0 HG22 ILE A 28 3.958 2.754 -12.875 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.143 2.009 -14.271 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.329 -2.028 -13.221 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.036 -1.210 -11.808 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.929 -0.327 -12.885 1.00 0.00 H new ATOM 438 N LYS A 29 6.139 3.494 -14.270 1.00 0.00 N ATOM 439 CA LYS A 29 6.780 4.764 -13.933 1.00 0.00 C ATOM 440 C LYS A 29 5.743 5.880 -13.830 1.00 0.00 C ATOM 441 O LYS A 29 4.729 5.881 -14.531 1.00 0.00 O ATOM 442 CB LYS A 29 7.880 5.120 -14.954 1.00 0.00 C ATOM 443 CG LYS A 29 8.977 4.040 -15.062 1.00 0.00 C ATOM 444 CD LYS A 29 10.292 4.605 -15.620 1.00 0.00 C ATOM 445 CE LYS A 29 11.480 3.640 -15.468 1.00 0.00 C ATOM 446 NZ LYS A 29 11.315 2.384 -16.250 1.00 0.00 N ATOM 0 H LYS A 29 5.414 3.578 -14.982 1.00 0.00 H new ATOM 0 HA LYS A 29 7.257 4.654 -12.959 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.425 5.266 -15.934 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.338 6.068 -14.670 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.158 3.608 -14.078 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.628 3.233 -15.706 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.159 4.843 -16.675 1.00 0.00 H new ATOM 0 HD3 LYS A 29 10.524 5.540 -15.109 1.00 0.00 H new ATOM 0 HE2 LYS A 29 12.392 4.143 -15.788 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.606 3.391 -14.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.251 1.991 -16.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.777 1.694 -15.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.802 2.589 -17.131 1.00 0.00 H new ATOM 460 N MET A 30 6.026 6.843 -12.963 1.00 0.00 N ATOM 461 CA MET A 30 5.229 7.998 -12.582 1.00 0.00 C ATOM 462 C MET A 30 6.210 9.152 -12.359 1.00 0.00 C ATOM 463 O MET A 30 7.422 8.937 -12.282 1.00 0.00 O ATOM 464 CB MET A 30 4.459 7.708 -11.277 1.00 0.00 C ATOM 465 CG MET A 30 3.415 6.593 -11.413 1.00 0.00 C ATOM 466 SD MET A 30 2.590 6.112 -9.868 1.00 0.00 S ATOM 467 CE MET A 30 1.822 7.680 -9.380 1.00 0.00 C ATOM 0 H MET A 30 6.912 6.831 -12.458 1.00 0.00 H new ATOM 0 HA MET A 30 4.499 8.240 -13.354 1.00 0.00 H new ATOM 0 HB2 MET A 30 5.171 7.434 -10.498 1.00 0.00 H new ATOM 0 HB3 MET A 30 3.962 8.621 -10.948 1.00 0.00 H new ATOM 0 HG2 MET A 30 2.656 6.913 -12.127 1.00 0.00 H new ATOM 0 HG3 MET A 30 3.900 5.713 -11.836 1.00 0.00 H new ATOM 0 HE1 MET A 30 1.137 7.507 -8.550 1.00 0.00 H new ATOM 0 HE2 MET A 30 2.595 8.383 -9.071 1.00 0.00 H new ATOM 0 HE3 MET A 30 1.271 8.094 -10.225 1.00 0.00 H new ATOM 477 N ILE A 31 5.705 10.371 -12.206 1.00 0.00 N ATOM 478 CA ILE A 31 6.477 11.554 -11.840 1.00 0.00 C ATOM 479 C ILE A 31 5.817 12.064 -10.566 1.00 0.00 C ATOM 480 O ILE A 31 4.585 12.091 -10.502 1.00 0.00 O ATOM 481 CB ILE A 31 6.453 12.604 -12.967 1.00 0.00 C ATOM 482 CG1 ILE A 31 7.023 12.034 -14.281 1.00 0.00 C ATOM 483 CG2 ILE A 31 7.275 13.855 -12.595 1.00 0.00 C ATOM 484 CD1 ILE A 31 6.342 12.708 -15.466 1.00 0.00 C ATOM 0 H ILE A 31 4.713 10.570 -12.338 1.00 0.00 H new ATOM 0 HA ILE A 31 7.532 11.332 -11.683 1.00 0.00 H new ATOM 0 HB ILE A 31 5.407 12.878 -13.104 1.00 0.00 H new ATOM 0 HG12 ILE A 31 8.100 12.199 -14.325 1.00 0.00 H new ATOM 0 HG13 ILE A 31 6.864 10.956 -14.321 1.00 0.00 H new ATOM 0 HG21 ILE A 31 7.235 14.573 -13.414 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.861 14.308 -11.694 1.00 0.00 H new ATOM 0 HG23 ILE A 31 8.311 13.569 -12.414 1.00 0.00 H new ATOM 0 HD11 ILE A 31 6.745 12.305 -16.395 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.269 12.520 -15.424 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.524 13.782 -15.428 1.00 0.00 H new ATOM 496 N ALA A 32 6.599 12.470 -9.568 1.00 0.00 N ATOM 497 CA ALA A 32 6.080 13.044 -8.340 1.00 0.00 C ATOM 498 C ALA A 32 6.934 14.239 -7.962 1.00 0.00 C ATOM 499 O ALA A 32 8.163 14.163 -7.991 1.00 0.00 O ATOM 500 CB ALA A 32 6.101 12.021 -7.205 1.00 0.00 C ATOM 0 H ALA A 32 7.617 12.407 -9.594 1.00 0.00 H new ATOM 0 HA ALA A 32 5.046 13.350 -8.501 1.00 0.00 H new ATOM 0 HB1 ALA A 32 5.707 12.477 -6.297 1.00 0.00 H new ATOM 0 HB2 ALA A 32 5.486 11.163 -7.477 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.125 11.692 -7.031 1.00 0.00 H new ATOM 506 N GLU A 33 6.273 15.321 -7.579 1.00 0.00 N ATOM 507 CA GLU A 33 6.897 16.482 -6.984 1.00 0.00 C ATOM 508 C GLU A 33 6.764 16.307 -5.471 1.00 0.00 C ATOM 509 O GLU A 33 5.706 15.899 -4.975 1.00 0.00 O ATOM 510 CB GLU A 33 6.190 17.744 -7.500 1.00 0.00 C ATOM 511 CG GLU A 33 6.882 19.027 -7.033 1.00 0.00 C ATOM 512 CD GLU A 33 6.277 20.282 -7.676 1.00 0.00 C ATOM 513 OE1 GLU A 33 6.360 20.448 -8.913 1.00 0.00 O ATOM 514 OE2 GLU A 33 5.781 21.156 -6.932 1.00 0.00 O ATOM 0 H GLU A 33 5.262 15.413 -7.678 1.00 0.00 H new ATOM 0 HA GLU A 33 7.950 16.585 -7.245 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.163 17.724 -8.589 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.156 17.745 -7.156 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.806 19.104 -5.948 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.944 18.973 -7.275 1.00 0.00 H new ATOM 521 N VAL A 34 7.837 16.582 -4.739 1.00 0.00 N ATOM 522 CA VAL A 34 7.962 16.285 -3.322 1.00 0.00 C ATOM 523 C VAL A 34 8.746 17.419 -2.656 1.00 0.00 C ATOM 524 O VAL A 34 9.408 18.201 -3.335 1.00 0.00 O ATOM 525 CB VAL A 34 8.650 14.907 -3.112 1.00 0.00 C ATOM 526 CG1 VAL A 34 7.993 13.762 -3.906 1.00 0.00 C ATOM 527 CG2 VAL A 34 10.144 14.909 -3.473 1.00 0.00 C ATOM 0 H VAL A 34 8.666 17.031 -5.128 1.00 0.00 H new ATOM 0 HA VAL A 34 6.976 16.219 -2.862 1.00 0.00 H new ATOM 0 HB VAL A 34 8.526 14.733 -2.043 1.00 0.00 H new ATOM 0 HG11 VAL A 34 8.526 12.831 -3.711 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.953 13.656 -3.598 1.00 0.00 H new ATOM 0 HG13 VAL A 34 8.035 13.987 -4.972 1.00 0.00 H new ATOM 0 HG21 VAL A 34 10.561 13.916 -3.303 1.00 0.00 H new ATOM 0 HG22 VAL A 34 10.264 15.178 -4.522 1.00 0.00 H new ATOM 0 HG23 VAL A 34 10.668 15.634 -2.850 1.00 0.00 H new ATOM 537 N LYS A 35 8.720 17.504 -1.329 1.00 0.00 N ATOM 538 CA LYS A 35 9.623 18.349 -0.553 1.00 0.00 C ATOM 539 C LYS A 35 10.455 17.386 0.284 1.00 0.00 C ATOM 540 O LYS A 35 9.976 16.296 0.611 1.00 0.00 O ATOM 541 CB LYS A 35 8.835 19.359 0.299 1.00 0.00 C ATOM 542 CG LYS A 35 9.727 20.538 0.727 1.00 0.00 C ATOM 543 CD LYS A 35 8.987 21.589 1.569 1.00 0.00 C ATOM 544 CE LYS A 35 7.920 22.346 0.761 1.00 0.00 C ATOM 545 NZ LYS A 35 7.256 23.403 1.565 1.00 0.00 N ATOM 0 H LYS A 35 8.061 16.980 -0.754 1.00 0.00 H new ATOM 0 HA LYS A 35 10.268 18.961 -1.184 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.982 19.731 -0.269 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.436 18.861 1.183 1.00 0.00 H new ATOM 0 HG2 LYS A 35 10.573 20.155 1.298 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.134 21.018 -0.163 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.514 21.100 2.421 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.708 22.302 1.970 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.383 22.796 -0.117 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.171 21.641 0.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.545 23.888 0.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.792 22.972 2.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.966 24.091 1.888 1.00 0.00 H new ATOM 559 N SER A 36 11.670 17.774 0.647 1.00 0.00 N ATOM 560 CA SER A 36 12.636 16.862 1.245 1.00 0.00 C ATOM 561 C SER A 36 13.423 17.587 2.330 1.00 0.00 C ATOM 562 O SER A 36 13.781 18.754 2.156 1.00 0.00 O ATOM 563 CB SER A 36 13.588 16.316 0.164 1.00 0.00 C ATOM 564 OG SER A 36 13.006 16.316 -1.136 1.00 0.00 O ATOM 0 H SER A 36 12.013 18.728 0.536 1.00 0.00 H new ATOM 0 HA SER A 36 12.106 16.022 1.695 1.00 0.00 H new ATOM 0 HB2 SER A 36 14.497 16.917 0.150 1.00 0.00 H new ATOM 0 HB3 SER A 36 13.882 15.299 0.425 1.00 0.00 H new ATOM 0 HG SER A 36 13.692 16.100 -1.802 1.00 0.00 H new ATOM 570 N ASP A 37 13.737 16.884 3.419 1.00 0.00 N ATOM 571 CA ASP A 37 14.595 17.393 4.499 1.00 0.00 C ATOM 572 C ASP A 37 15.953 16.669 4.513 1.00 0.00 C ATOM 573 O ASP A 37 16.801 16.915 5.371 1.00 0.00 O ATOM 574 CB ASP A 37 13.855 17.270 5.840 1.00 0.00 C ATOM 575 CG ASP A 37 14.603 17.963 6.995 1.00 0.00 C ATOM 576 OD1 ASP A 37 14.910 19.172 6.885 1.00 0.00 O ATOM 577 OD2 ASP A 37 14.817 17.331 8.054 1.00 0.00 O ATOM 0 H ASP A 37 13.401 15.935 3.581 1.00 0.00 H new ATOM 0 HA ASP A 37 14.810 18.447 4.326 1.00 0.00 H new ATOM 0 HB2 ASP A 37 12.860 17.705 5.743 1.00 0.00 H new ATOM 0 HB3 ASP A 37 13.719 16.216 6.081 1.00 0.00 H new ATOM 582 N PHE A 38 16.168 15.783 3.533 1.00 0.00 N ATOM 583 CA PHE A 38 17.351 14.955 3.336 1.00 0.00 C ATOM 584 C PHE A 38 17.575 14.838 1.824 1.00 0.00 C ATOM 585 O PHE A 38 16.648 15.073 1.040 1.00 0.00 O ATOM 586 CB PHE A 38 17.124 13.556 3.936 1.00 0.00 C ATOM 587 CG PHE A 38 16.720 13.521 5.401 1.00 0.00 C ATOM 588 CD1 PHE A 38 15.371 13.709 5.763 1.00 0.00 C ATOM 589 CD2 PHE A 38 17.686 13.301 6.402 1.00 0.00 C ATOM 590 CE1 PHE A 38 14.992 13.692 7.115 1.00 0.00 C ATOM 591 CE2 PHE A 38 17.303 13.276 7.755 1.00 0.00 C ATOM 592 CZ PHE A 38 15.957 13.472 8.111 1.00 0.00 C ATOM 0 H PHE A 38 15.468 15.619 2.810 1.00 0.00 H new ATOM 0 HA PHE A 38 18.217 15.399 3.827 1.00 0.00 H new ATOM 0 HB2 PHE A 38 16.352 13.053 3.354 1.00 0.00 H new ATOM 0 HB3 PHE A 38 18.040 12.978 3.818 1.00 0.00 H new ATOM 0 HD1 PHE A 38 14.626 13.867 4.997 1.00 0.00 H new ATOM 0 HD2 PHE A 38 18.721 13.152 6.131 1.00 0.00 H new ATOM 0 HE1 PHE A 38 13.959 13.848 7.389 1.00 0.00 H new ATOM 0 HE2 PHE A 38 18.044 13.106 8.522 1.00 0.00 H new ATOM 0 HZ PHE A 38 15.665 13.453 9.151 1.00 0.00 H new ATOM 602 N ALA A 39 18.788 14.461 1.412 1.00 0.00 N ATOM 603 CA ALA A 39 19.098 14.189 0.014 1.00 0.00 C ATOM 604 C ALA A 39 18.303 12.978 -0.490 1.00 0.00 C ATOM 605 O ALA A 39 17.989 12.066 0.279 1.00 0.00 O ATOM 606 CB ALA A 39 20.605 13.950 -0.145 1.00 0.00 C ATOM 0 H ALA A 39 19.581 14.337 2.042 1.00 0.00 H new ATOM 0 HA ALA A 39 18.812 15.053 -0.586 1.00 0.00 H new ATOM 0 HB1 ALA A 39 20.833 13.747 -1.191 1.00 0.00 H new ATOM 0 HB2 ALA A 39 21.150 14.836 0.180 1.00 0.00 H new ATOM 0 HB3 ALA A 39 20.904 13.097 0.464 1.00 0.00 H new ATOM 612 N VAL A 40 18.047 12.940 -1.799 1.00 0.00 N ATOM 613 CA VAL A 40 17.396 11.841 -2.508 1.00 0.00 C ATOM 614 C VAL A 40 18.126 11.718 -3.846 1.00 0.00 C ATOM 615 O VAL A 40 18.507 12.743 -4.424 1.00 0.00 O ATOM 616 CB VAL A 40 15.894 12.138 -2.734 1.00 0.00 C ATOM 617 CG1 VAL A 40 15.155 10.871 -3.186 1.00 0.00 C ATOM 618 CG2 VAL A 40 15.170 12.692 -1.498 1.00 0.00 C ATOM 0 H VAL A 40 18.300 13.709 -2.420 1.00 0.00 H new ATOM 0 HA VAL A 40 17.447 10.916 -1.934 1.00 0.00 H new ATOM 0 HB VAL A 40 15.873 12.909 -3.504 1.00 0.00 H new ATOM 0 HG11 VAL A 40 14.100 11.100 -3.340 1.00 0.00 H new ATOM 0 HG12 VAL A 40 15.588 10.511 -4.119 1.00 0.00 H new ATOM 0 HG13 VAL A 40 15.251 10.101 -2.420 1.00 0.00 H new ATOM 0 HG21 VAL A 40 14.123 12.873 -1.740 1.00 0.00 H new ATOM 0 HG22 VAL A 40 15.234 11.970 -0.684 1.00 0.00 H new ATOM 0 HG23 VAL A 40 15.638 13.627 -1.191 1.00 0.00 H new ATOM 628 N LYS A 41 18.326 10.499 -4.352 1.00 0.00 N ATOM 629 CA LYS A 41 18.959 10.275 -5.650 1.00 0.00 C ATOM 630 C LYS A 41 18.421 8.999 -6.303 1.00 0.00 C ATOM 631 O LYS A 41 17.689 8.230 -5.683 1.00 0.00 O ATOM 632 CB LYS A 41 20.502 10.338 -5.531 1.00 0.00 C ATOM 633 CG LYS A 41 21.166 9.573 -4.371 1.00 0.00 C ATOM 634 CD LYS A 41 20.928 8.067 -4.463 1.00 0.00 C ATOM 635 CE LYS A 41 21.624 7.298 -3.340 1.00 0.00 C ATOM 636 NZ LYS A 41 21.152 5.896 -3.296 1.00 0.00 N ATOM 0 H LYS A 41 18.053 9.641 -3.872 1.00 0.00 H new ATOM 0 HA LYS A 41 18.691 11.083 -6.331 1.00 0.00 H new ATOM 0 HB2 LYS A 41 20.925 9.965 -6.464 1.00 0.00 H new ATOM 0 HB3 LYS A 41 20.789 11.386 -5.448 1.00 0.00 H new ATOM 0 HG2 LYS A 41 22.238 9.771 -4.374 1.00 0.00 H new ATOM 0 HG3 LYS A 41 20.776 9.944 -3.423 1.00 0.00 H new ATOM 0 HD2 LYS A 41 19.857 7.868 -4.426 1.00 0.00 H new ATOM 0 HD3 LYS A 41 21.287 7.703 -5.426 1.00 0.00 H new ATOM 0 HE2 LYS A 41 22.703 7.319 -3.492 1.00 0.00 H new ATOM 0 HE3 LYS A 41 21.428 7.783 -2.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 21.624 5.395 -2.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 20.123 5.881 -3.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 21.377 5.426 -4.196 1.00 0.00 H new ATOM 650 N VAL A 42 18.766 8.780 -7.567 1.00 0.00 N ATOM 651 CA VAL A 42 18.416 7.579 -8.317 1.00 0.00 C ATOM 652 C VAL A 42 18.854 6.304 -7.589 1.00 0.00 C ATOM 653 O VAL A 42 19.878 6.272 -6.904 1.00 0.00 O ATOM 654 CB VAL A 42 19.004 7.669 -9.740 1.00 0.00 C ATOM 655 CG1 VAL A 42 18.606 6.450 -10.582 1.00 0.00 C ATOM 656 CG2 VAL A 42 18.479 8.944 -10.410 1.00 0.00 C ATOM 0 H VAL A 42 19.310 9.449 -8.112 1.00 0.00 H new ATOM 0 HA VAL A 42 17.331 7.520 -8.397 1.00 0.00 H new ATOM 0 HB VAL A 42 20.091 7.693 -9.670 1.00 0.00 H new ATOM 0 HG11 VAL A 42 19.035 6.541 -11.580 1.00 0.00 H new ATOM 0 HG12 VAL A 42 18.980 5.543 -10.108 1.00 0.00 H new ATOM 0 HG13 VAL A 42 17.520 6.399 -10.657 1.00 0.00 H new ATOM 0 HG21 VAL A 42 18.887 9.020 -11.418 1.00 0.00 H new ATOM 0 HG22 VAL A 42 17.391 8.906 -10.461 1.00 0.00 H new ATOM 0 HG23 VAL A 42 18.785 9.813 -9.828 1.00 0.00 H new ATOM 666 N GLY A 43 18.087 5.233 -7.792 1.00 0.00 N ATOM 667 CA GLY A 43 18.278 3.965 -7.127 1.00 0.00 C ATOM 668 C GLY A 43 17.902 4.100 -5.658 1.00 0.00 C ATOM 669 O GLY A 43 18.610 3.544 -4.817 1.00 0.00 O ATOM 0 H GLY A 43 17.300 5.233 -8.441 1.00 0.00 H new ATOM 0 HA2 GLY A 43 17.666 3.198 -7.601 1.00 0.00 H new ATOM 0 HA3 GLY A 43 19.316 3.646 -7.220 1.00 0.00 H new ATOM 673 N ASP A 44 16.836 4.852 -5.339 1.00 0.00 N ATOM 674 CA ASP A 44 16.402 4.970 -3.923 1.00 0.00 C ATOM 675 C ASP A 44 15.038 4.325 -3.763 1.00 0.00 C ATOM 676 O ASP A 44 14.212 4.431 -4.664 1.00 0.00 O ATOM 677 CB ASP A 44 16.318 6.419 -3.389 1.00 0.00 C ATOM 678 CG ASP A 44 17.618 6.997 -2.807 1.00 0.00 C ATOM 679 OD1 ASP A 44 18.523 6.209 -2.442 1.00 0.00 O ATOM 680 OD2 ASP A 44 17.703 8.233 -2.636 1.00 0.00 O ATOM 0 H ASP A 44 16.271 5.373 -6.010 1.00 0.00 H new ATOM 0 HA ASP A 44 17.172 4.467 -3.338 1.00 0.00 H new ATOM 0 HB2 ASP A 44 15.987 7.066 -4.201 1.00 0.00 H new ATOM 0 HB3 ASP A 44 15.549 6.457 -2.618 1.00 0.00 H new ATOM 685 N LEU A 45 14.765 3.687 -2.621 1.00 0.00 N ATOM 686 CA LEU A 45 13.416 3.235 -2.307 1.00 0.00 C ATOM 687 C LEU A 45 12.636 4.400 -1.695 1.00 0.00 C ATOM 688 O LEU A 45 13.227 5.253 -1.027 1.00 0.00 O ATOM 689 CB LEU A 45 13.493 2.093 -1.280 1.00 0.00 C ATOM 690 CG LEU A 45 12.192 1.283 -1.106 1.00 0.00 C ATOM 691 CD1 LEU A 45 11.953 0.328 -2.281 1.00 0.00 C ATOM 692 CD2 LEU A 45 12.271 0.485 0.198 1.00 0.00 C ATOM 0 H LEU A 45 15.460 3.475 -1.905 1.00 0.00 H new ATOM 0 HA LEU A 45 12.921 2.885 -3.213 1.00 0.00 H new ATOM 0 HB2 LEU A 45 14.290 1.412 -1.576 1.00 0.00 H new ATOM 0 HB3 LEU A 45 13.774 2.512 -0.314 1.00 0.00 H new ATOM 0 HG LEU A 45 11.357 1.983 -1.075 1.00 0.00 H new ATOM 0 HD11 LEU A 45 11.027 -0.223 -2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 45 11.878 0.900 -3.206 1.00 0.00 H new ATOM 0 HD13 LEU A 45 12.784 -0.373 -2.355 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.355 -0.091 0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.123 -0.194 0.158 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.392 1.170 1.037 1.00 0.00 H new ATOM 704 N LEU A 46 11.314 4.385 -1.848 1.00 0.00 N ATOM 705 CA LEU A 46 10.374 5.232 -1.132 1.00 0.00 C ATOM 706 C LEU A 46 9.284 4.307 -0.620 1.00 0.00 C ATOM 707 O LEU A 46 8.618 3.649 -1.421 1.00 0.00 O ATOM 708 CB LEU A 46 9.736 6.302 -2.035 1.00 0.00 C ATOM 709 CG LEU A 46 10.691 7.370 -2.578 1.00 0.00 C ATOM 710 CD1 LEU A 46 9.913 8.333 -3.479 1.00 0.00 C ATOM 711 CD2 LEU A 46 11.369 8.172 -1.470 1.00 0.00 C ATOM 0 H LEU A 46 10.853 3.754 -2.503 1.00 0.00 H new ATOM 0 HA LEU A 46 10.895 5.764 -0.336 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.262 5.802 -2.880 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.945 6.800 -1.474 1.00 0.00 H new ATOM 0 HG LEU A 46 11.471 6.851 -3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.589 9.095 -3.867 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.474 7.780 -4.309 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.121 8.811 -2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.034 8.914 -1.912 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.611 8.676 -0.870 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.946 7.500 -0.835 1.00 0.00 H new ATOM 723 N SER A 47 9.054 4.304 0.688 1.00 0.00 N ATOM 724 CA SER A 47 7.969 3.537 1.308 1.00 0.00 C ATOM 725 C SER A 47 7.128 4.473 2.181 1.00 0.00 C ATOM 726 O SER A 47 7.690 5.387 2.790 1.00 0.00 O ATOM 727 CB SER A 47 8.523 2.371 2.134 1.00 0.00 C ATOM 728 OG SER A 47 9.501 1.647 1.409 1.00 0.00 O ATOM 0 H SER A 47 9.615 4.834 1.355 1.00 0.00 H new ATOM 0 HA SER A 47 7.340 3.112 0.526 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.959 2.752 3.058 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.709 1.704 2.417 1.00 0.00 H new ATOM 0 HG SER A 47 9.838 0.910 1.960 1.00 0.00 H new ATOM 734 N PRO A 48 5.796 4.309 2.231 1.00 0.00 N ATOM 735 CA PRO A 48 4.931 5.230 2.951 1.00 0.00 C ATOM 736 C PRO A 48 5.141 5.094 4.463 1.00 0.00 C ATOM 737 O PRO A 48 5.499 4.026 4.967 1.00 0.00 O ATOM 738 CB PRO A 48 3.503 4.872 2.528 1.00 0.00 C ATOM 739 CG PRO A 48 3.599 3.395 2.148 1.00 0.00 C ATOM 740 CD PRO A 48 5.013 3.267 1.584 1.00 0.00 C ATOM 0 HA PRO A 48 5.149 6.272 2.716 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.793 5.032 3.339 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.169 5.481 1.688 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.451 2.747 3.012 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.845 3.120 1.410 1.00 0.00 H new ATOM 0 HD2 PRO A 48 5.428 2.281 1.791 1.00 0.00 H new ATOM 0 HD3 PRO A 48 5.015 3.393 0.501 1.00 0.00 H new ATOM 748 N LEU A 49 4.860 6.179 5.185 1.00 0.00 N ATOM 749 CA LEU A 49 4.925 6.240 6.649 1.00 0.00 C ATOM 750 C LEU A 49 3.555 6.607 7.218 1.00 0.00 C ATOM 751 O LEU A 49 3.135 6.088 8.252 1.00 0.00 O ATOM 752 CB LEU A 49 5.950 7.306 7.073 1.00 0.00 C ATOM 753 CG LEU A 49 7.409 6.969 6.715 1.00 0.00 C ATOM 754 CD1 LEU A 49 8.282 8.189 7.009 1.00 0.00 C ATOM 755 CD2 LEU A 49 7.930 5.764 7.504 1.00 0.00 C ATOM 0 H LEU A 49 4.574 7.061 4.760 1.00 0.00 H new ATOM 0 HA LEU A 49 5.225 5.265 7.032 1.00 0.00 H new ATOM 0 HB2 LEU A 49 5.684 8.254 6.605 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.878 7.452 8.151 1.00 0.00 H new ATOM 0 HG LEU A 49 7.450 6.710 5.657 1.00 0.00 H new ATOM 0 HD11 LEU A 49 9.319 7.963 6.760 1.00 0.00 H new ATOM 0 HD12 LEU A 49 7.940 9.034 6.411 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.210 8.441 8.067 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.963 5.562 7.220 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.883 5.980 8.571 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.316 4.891 7.283 1.00 0.00 H new ATOM 767 N GLN A 50 2.862 7.492 6.509 1.00 0.00 N ATOM 768 CA GLN A 50 1.501 7.969 6.712 1.00 0.00 C ATOM 769 C GLN A 50 1.086 8.559 5.352 1.00 0.00 C ATOM 770 O GLN A 50 1.784 8.338 4.355 1.00 0.00 O ATOM 771 CB GLN A 50 1.468 9.014 7.851 1.00 0.00 C ATOM 772 CG GLN A 50 2.545 10.102 7.707 1.00 0.00 C ATOM 773 CD GLN A 50 2.167 11.399 8.415 1.00 0.00 C ATOM 774 OE1 GLN A 50 2.233 11.514 9.637 1.00 0.00 O ATOM 775 NE2 GLN A 50 1.771 12.408 7.656 1.00 0.00 N ATOM 0 H GLN A 50 3.285 7.938 5.695 1.00 0.00 H new ATOM 0 HA GLN A 50 0.810 7.184 7.019 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.485 9.485 7.874 1.00 0.00 H new ATOM 0 HB3 GLN A 50 1.600 8.505 8.806 1.00 0.00 H new ATOM 0 HG2 GLN A 50 3.487 9.732 8.113 1.00 0.00 H new ATOM 0 HG3 GLN A 50 2.712 10.305 6.649 1.00 0.00 H new ATOM 0 HE21 GLN A 50 1.722 12.296 6.643 1.00 0.00 H new ATOM 0 HE22 GLN A 50 1.515 13.298 8.084 1.00 0.00 H new ATOM 784 N ASN A 51 -0.009 9.323 5.276 1.00 0.00 N ATOM 785 CA ASN A 51 -0.263 10.094 4.059 1.00 0.00 C ATOM 786 C ASN A 51 0.847 11.135 3.904 1.00 0.00 C ATOM 787 O ASN A 51 1.390 11.636 4.893 1.00 0.00 O ATOM 788 CB ASN A 51 -1.625 10.794 4.066 1.00 0.00 C ATOM 789 CG ASN A 51 -1.972 11.313 2.672 1.00 0.00 C ATOM 790 OD1 ASN A 51 -2.376 10.548 1.802 1.00 0.00 O ATOM 791 ND2 ASN A 51 -1.775 12.594 2.402 1.00 0.00 N ATOM 0 H ASN A 51 -0.708 9.422 6.012 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.274 9.398 3.221 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -2.395 10.100 4.403 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -1.610 11.622 4.775 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -1.959 12.952 1.465 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -1.439 13.223 3.131 1.00 0.00 H new ATOM 798 N ALA A 52 1.120 11.491 2.655 1.00 0.00 N ATOM 799 CA ALA A 52 2.143 12.392 2.143 1.00 0.00 C ATOM 800 C ALA A 52 3.589 12.015 2.488 1.00 0.00 C ATOM 801 O ALA A 52 4.430 12.085 1.595 1.00 0.00 O ATOM 802 CB ALA A 52 1.811 13.842 2.509 1.00 0.00 C ATOM 0 H ALA A 52 0.565 11.110 1.889 1.00 0.00 H new ATOM 0 HA ALA A 52 2.112 12.283 1.059 1.00 0.00 H new ATOM 0 HB1 ALA A 52 2.586 14.502 2.119 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.849 14.115 2.076 1.00 0.00 H new ATOM 0 HB3 ALA A 52 1.762 13.941 3.593 1.00 0.00 H new ATOM 808 N LEU A 53 3.916 11.635 3.726 1.00 0.00 N ATOM 809 CA LEU A 53 5.286 11.288 4.091 1.00 0.00 C ATOM 810 C LEU A 53 5.637 9.900 3.572 1.00 0.00 C ATOM 811 O LEU A 53 4.924 8.925 3.829 1.00 0.00 O ATOM 812 CB LEU A 53 5.569 11.329 5.603 1.00 0.00 C ATOM 813 CG LEU A 53 5.701 12.735 6.220 1.00 0.00 C ATOM 814 CD1 LEU A 53 5.857 12.608 7.739 1.00 0.00 C ATOM 815 CD2 LEU A 53 6.915 13.504 5.680 1.00 0.00 C ATOM 0 H LEU A 53 3.247 11.561 4.492 1.00 0.00 H new ATOM 0 HA LEU A 53 5.907 12.054 3.627 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.768 10.800 6.119 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.490 10.779 5.797 1.00 0.00 H new ATOM 0 HG LEU A 53 4.800 13.287 5.953 1.00 0.00 H new ATOM 0 HD11 LEU A 53 5.951 13.601 8.179 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.982 12.108 8.154 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.750 12.025 7.966 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.960 14.487 6.148 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.827 12.951 5.908 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.821 13.620 4.600 1.00 0.00 H new ATOM 827 N TYR A 54 6.806 9.816 2.949 1.00 0.00 N ATOM 828 CA TYR A 54 7.461 8.583 2.558 1.00 0.00 C ATOM 829 C TYR A 54 8.881 8.653 3.118 1.00 0.00 C ATOM 830 O TYR A 54 9.478 9.732 3.186 1.00 0.00 O ATOM 831 CB TYR A 54 7.479 8.442 1.025 1.00 0.00 C ATOM 832 CG TYR A 54 6.220 7.880 0.385 1.00 0.00 C ATOM 833 CD1 TYR A 54 5.048 8.654 0.284 1.00 0.00 C ATOM 834 CD2 TYR A 54 6.242 6.587 -0.169 1.00 0.00 C ATOM 835 CE1 TYR A 54 3.911 8.141 -0.372 1.00 0.00 C ATOM 836 CE2 TYR A 54 5.109 6.057 -0.802 1.00 0.00 C ATOM 837 CZ TYR A 54 3.942 6.840 -0.927 1.00 0.00 C ATOM 838 OH TYR A 54 2.876 6.328 -1.607 1.00 0.00 O ATOM 0 H TYR A 54 7.343 10.644 2.693 1.00 0.00 H new ATOM 0 HA TYR A 54 6.932 7.713 2.947 1.00 0.00 H new ATOM 0 HB2 TYR A 54 7.673 9.424 0.593 1.00 0.00 H new ATOM 0 HB3 TYR A 54 8.317 7.802 0.750 1.00 0.00 H new ATOM 0 HD1 TYR A 54 5.020 9.645 0.711 1.00 0.00 H new ATOM 0 HD2 TYR A 54 7.143 5.995 -0.106 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.016 8.741 -0.451 1.00 0.00 H new ATOM 0 HE2 TYR A 54 5.129 5.051 -1.193 1.00 0.00 H new ATOM 0 HH TYR A 54 2.384 7.056 -2.040 1.00 0.00 H new ATOM 848 N CYS A 55 9.420 7.514 3.544 1.00 0.00 N ATOM 849 CA CYS A 55 10.829 7.404 3.887 1.00 0.00 C ATOM 850 C CYS A 55 11.682 7.433 2.614 1.00 0.00 C ATOM 851 O CYS A 55 11.145 7.290 1.515 1.00 0.00 O ATOM 852 CB CYS A 55 11.071 6.128 4.695 1.00 0.00 C ATOM 853 SG CYS A 55 10.821 4.626 3.714 1.00 0.00 S ATOM 0 H CYS A 55 8.894 6.648 3.660 1.00 0.00 H new ATOM 0 HA CYS A 55 11.121 8.253 4.505 1.00 0.00 H new ATOM 0 HB2 CYS A 55 12.088 6.137 5.086 1.00 0.00 H new ATOM 0 HB3 CYS A 55 10.400 6.113 5.554 1.00 0.00 H new ATOM 0 HG CYS A 55 9.599 4.595 3.271 1.00 0.00 H new ATOM 859 N ILE A 56 13.004 7.546 2.757 1.00 0.00 N ATOM 860 CA ILE A 56 13.963 7.532 1.657 1.00 0.00 C ATOM 861 C ILE A 56 14.914 6.354 1.859 1.00 0.00 C ATOM 862 O ILE A 56 15.213 5.946 2.985 1.00 0.00 O ATOM 863 CB ILE A 56 14.765 8.862 1.589 1.00 0.00 C ATOM 864 CG1 ILE A 56 13.868 10.121 1.523 1.00 0.00 C ATOM 865 CG2 ILE A 56 15.740 8.886 0.383 1.00 0.00 C ATOM 866 CD1 ILE A 56 14.606 11.359 2.048 1.00 0.00 C ATOM 0 H ILE A 56 13.447 7.653 3.669 1.00 0.00 H new ATOM 0 HA ILE A 56 13.425 7.427 0.715 1.00 0.00 H new ATOM 0 HB ILE A 56 15.327 8.894 2.523 1.00 0.00 H new ATOM 0 HG12 ILE A 56 13.553 10.292 0.494 1.00 0.00 H new ATOM 0 HG13 ILE A 56 12.964 9.957 2.110 1.00 0.00 H new ATOM 0 HG21 ILE A 56 16.281 9.832 0.371 1.00 0.00 H new ATOM 0 HG22 ILE A 56 16.449 8.063 0.472 1.00 0.00 H new ATOM 0 HG23 ILE A 56 15.176 8.780 -0.543 1.00 0.00 H new ATOM 0 HD11 ILE A 56 13.949 12.227 1.988 1.00 0.00 H new ATOM 0 HD12 ILE A 56 14.898 11.196 3.085 1.00 0.00 H new ATOM 0 HD13 ILE A 56 15.496 11.536 1.444 1.00 0.00 H new ATOM 878 N ASN A 57 15.450 5.877 0.736 1.00 0.00 N ATOM 879 CA ASN A 57 16.562 4.951 0.585 1.00 0.00 C ATOM 880 C ASN A 57 16.215 3.536 1.005 1.00 0.00 C ATOM 881 O ASN A 57 16.188 2.665 0.138 1.00 0.00 O ATOM 882 CB ASN A 57 17.821 5.465 1.308 1.00 0.00 C ATOM 883 CG ASN A 57 19.011 4.605 0.923 1.00 0.00 C ATOM 884 OD1 ASN A 57 19.513 3.810 1.708 1.00 0.00 O ATOM 885 ND2 ASN A 57 19.458 4.739 -0.309 1.00 0.00 N ATOM 0 H ASN A 57 15.080 6.157 -0.172 1.00 0.00 H new ATOM 0 HA ASN A 57 16.782 4.905 -0.481 1.00 0.00 H new ATOM 0 HB2 ASN A 57 18.008 6.505 1.040 1.00 0.00 H new ATOM 0 HB3 ASN A 57 17.671 5.436 2.387 1.00 0.00 H new ATOM 0 HD21 ASN A 57 20.242 4.172 -0.631 1.00 0.00 H new ATOM 0 HD22 ASN A 57 19.020 5.410 -0.940 1.00 0.00 H new ATOM 892 N ARG A 58 15.932 3.341 2.296 1.00 0.00 N ATOM 893 CA ARG A 58 15.423 2.124 2.928 1.00 0.00 C ATOM 894 C ARG A 58 15.112 2.351 4.418 1.00 0.00 C ATOM 895 O ARG A 58 14.835 1.371 5.109 1.00 0.00 O ATOM 896 CB ARG A 58 16.414 0.944 2.763 1.00 0.00 C ATOM 897 CG ARG A 58 17.758 1.136 3.491 1.00 0.00 C ATOM 898 CD ARG A 58 18.738 -0.006 3.195 1.00 0.00 C ATOM 899 NE ARG A 58 18.274 -1.297 3.741 1.00 0.00 N ATOM 900 CZ ARG A 58 18.774 -2.501 3.432 1.00 0.00 C ATOM 901 NH1 ARG A 58 19.787 -2.617 2.576 1.00 0.00 N ATOM 902 NH2 ARG A 58 18.254 -3.592 3.986 1.00 0.00 N ATOM 0 H ARG A 58 16.064 4.088 2.977 1.00 0.00 H new ATOM 0 HA ARG A 58 14.494 1.866 2.420 1.00 0.00 H new ATOM 0 HB2 ARG A 58 15.941 0.034 3.132 1.00 0.00 H new ATOM 0 HB3 ARG A 58 16.608 0.794 1.701 1.00 0.00 H new ATOM 0 HG2 ARG A 58 18.203 2.084 3.188 1.00 0.00 H new ATOM 0 HG3 ARG A 58 17.584 1.195 4.565 1.00 0.00 H new ATOM 0 HD2 ARG A 58 18.872 -0.097 2.117 1.00 0.00 H new ATOM 0 HD3 ARG A 58 19.713 0.236 3.618 1.00 0.00 H new ATOM 0 HE ARG A 58 17.506 -1.270 4.412 1.00 0.00 H new ATOM 0 HH11 ARG A 58 20.191 -1.784 2.148 1.00 0.00 H new ATOM 0 HH12 ARG A 58 20.159 -3.539 2.348 1.00 0.00 H new ATOM 0 HH21 ARG A 58 17.478 -3.510 4.643 1.00 0.00 H new ATOM 0 HH22 ARG A 58 18.631 -4.511 3.754 1.00 0.00 H new ATOM 916 N GLU A 59 15.195 3.580 4.953 1.00 0.00 N ATOM 917 CA GLU A 59 15.145 3.811 6.397 1.00 0.00 C ATOM 918 C GLU A 59 14.208 4.965 6.737 1.00 0.00 C ATOM 919 O GLU A 59 14.192 6.000 6.072 1.00 0.00 O ATOM 920 CB GLU A 59 16.556 4.012 6.972 1.00 0.00 C ATOM 921 CG GLU A 59 17.292 5.275 6.490 1.00 0.00 C ATOM 922 CD GLU A 59 18.747 5.295 6.992 1.00 0.00 C ATOM 923 OE1 GLU A 59 18.976 5.482 8.209 1.00 0.00 O ATOM 924 OE2 GLU A 59 19.678 5.117 6.174 1.00 0.00 O ATOM 0 H GLU A 59 15.298 4.430 4.399 1.00 0.00 H new ATOM 0 HA GLU A 59 14.733 2.921 6.872 1.00 0.00 H new ATOM 0 HB2 GLU A 59 16.485 4.046 8.059 1.00 0.00 H new ATOM 0 HB3 GLU A 59 17.160 3.141 6.719 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.279 5.313 5.401 1.00 0.00 H new ATOM 0 HG3 GLU A 59 16.769 6.163 6.846 1.00 0.00 H new ATOM 931 N LYS A 60 13.425 4.771 7.801 1.00 0.00 N ATOM 932 CA LYS A 60 12.295 5.631 8.161 1.00 0.00 C ATOM 933 C LYS A 60 12.707 7.050 8.543 1.00 0.00 C ATOM 934 O LYS A 60 11.897 7.964 8.409 1.00 0.00 O ATOM 935 CB LYS A 60 11.473 4.998 9.298 1.00 0.00 C ATOM 936 CG LYS A 60 10.861 3.641 8.910 1.00 0.00 C ATOM 937 CD LYS A 60 9.902 3.139 10.000 1.00 0.00 C ATOM 938 CE LYS A 60 9.199 1.826 9.617 1.00 0.00 C ATOM 939 NZ LYS A 60 10.120 0.661 9.570 1.00 0.00 N ATOM 0 H LYS A 60 13.562 3.996 8.450 1.00 0.00 H new ATOM 0 HA LYS A 60 11.682 5.714 7.263 1.00 0.00 H new ATOM 0 HB2 LYS A 60 12.112 4.867 10.172 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.675 5.682 9.587 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.326 3.736 7.965 1.00 0.00 H new ATOM 0 HG3 LYS A 60 11.655 2.911 8.755 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.457 2.992 10.926 1.00 0.00 H new ATOM 0 HD3 LYS A 60 9.151 3.904 10.197 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.404 1.624 10.335 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.725 1.946 8.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.587 -0.192 9.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.865 0.835 8.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 10.554 0.523 10.505 1.00 0.00 H new ATOM 953 N LEU A 61 13.930 7.235 9.047 1.00 0.00 N ATOM 954 CA LEU A 61 14.376 8.508 9.604 1.00 0.00 C ATOM 955 C LEU A 61 14.470 9.589 8.533 1.00 0.00 C ATOM 956 O LEU A 61 14.209 10.757 8.814 1.00 0.00 O ATOM 957 CB LEU A 61 15.758 8.350 10.263 1.00 0.00 C ATOM 958 CG LEU A 61 15.860 7.258 11.343 1.00 0.00 C ATOM 959 CD1 LEU A 61 17.264 7.281 11.949 1.00 0.00 C ATOM 960 CD2 LEU A 61 14.801 7.425 12.436 1.00 0.00 C ATOM 0 H LEU A 61 14.638 6.502 9.079 1.00 0.00 H new ATOM 0 HA LEU A 61 13.636 8.809 10.346 1.00 0.00 H new ATOM 0 HB2 LEU A 61 16.489 8.135 9.484 1.00 0.00 H new ATOM 0 HB3 LEU A 61 16.039 9.304 10.709 1.00 0.00 H new ATOM 0 HG LEU A 61 15.675 6.293 10.870 1.00 0.00 H new ATOM 0 HD11 LEU A 61 17.342 6.509 12.715 1.00 0.00 H new ATOM 0 HD12 LEU A 61 18.001 7.093 11.168 1.00 0.00 H new ATOM 0 HD13 LEU A 61 17.451 8.257 12.397 1.00 0.00 H new ATOM 0 HD21 LEU A 61 14.913 6.632 13.175 1.00 0.00 H new ATOM 0 HD22 LEU A 61 14.928 8.393 12.921 1.00 0.00 H new ATOM 0 HD23 LEU A 61 13.807 7.369 11.991 1.00 0.00 H new ATOM 972 N HIS A 62 14.874 9.200 7.326 1.00 0.00 N ATOM 973 CA HIS A 62 15.071 10.117 6.213 1.00 0.00 C ATOM 974 C HIS A 62 13.742 10.197 5.465 1.00 0.00 C ATOM 975 O HIS A 62 13.236 9.155 5.054 1.00 0.00 O ATOM 976 CB HIS A 62 16.195 9.587 5.306 1.00 0.00 C ATOM 977 CG HIS A 62 17.537 9.378 5.974 1.00 0.00 C ATOM 978 ND1 HIS A 62 18.598 8.681 5.438 1.00 0.00 N ATOM 979 CD2 HIS A 62 17.944 9.837 7.202 1.00 0.00 C ATOM 980 CE1 HIS A 62 19.614 8.720 6.317 1.00 0.00 C ATOM 981 NE2 HIS A 62 19.264 9.417 7.415 1.00 0.00 N ATOM 0 H HIS A 62 15.075 8.227 7.094 1.00 0.00 H new ATOM 0 HA HIS A 62 15.367 11.110 6.552 1.00 0.00 H new ATOM 0 HB2 HIS A 62 15.873 8.639 4.876 1.00 0.00 H new ATOM 0 HB3 HIS A 62 16.327 10.284 4.478 1.00 0.00 H new ATOM 0 HD2 HIS A 62 17.349 10.422 7.887 1.00 0.00 H new ATOM 0 HE1 HIS A 62 20.577 8.257 6.164 1.00 0.00 H new ATOM 0 HE2 HIS A 62 19.842 9.602 8.235 1.00 0.00 H new ATOM 989 N THR A 63 13.169 11.390 5.276 1.00 0.00 N ATOM 990 CA THR A 63 11.810 11.534 4.775 1.00 0.00 C ATOM 991 C THR A 63 11.680 12.570 3.652 1.00 0.00 C ATOM 992 O THR A 63 12.418 13.559 3.589 1.00 0.00 O ATOM 993 CB THR A 63 10.905 11.896 5.967 1.00 0.00 C ATOM 994 OG1 THR A 63 11.427 12.997 6.697 1.00 0.00 O ATOM 995 CG2 THR A 63 10.797 10.728 6.948 1.00 0.00 C ATOM 0 H THR A 63 13.637 12.276 5.467 1.00 0.00 H new ATOM 0 HA THR A 63 11.506 10.589 4.326 1.00 0.00 H new ATOM 0 HB THR A 63 9.930 12.143 5.547 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.831 13.205 7.446 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.152 11.010 7.780 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.373 9.863 6.438 1.00 0.00 H new ATOM 0 HG23 THR A 63 11.788 10.477 7.326 1.00 0.00 H new ATOM 1003 N VAL A 64 10.677 12.350 2.807 1.00 0.00 N ATOM 1004 CA VAL A 64 10.158 13.265 1.801 1.00 0.00 C ATOM 1005 C VAL A 64 8.656 13.393 2.059 1.00 0.00 C ATOM 1006 O VAL A 64 8.049 12.487 2.637 1.00 0.00 O ATOM 1007 CB VAL A 64 10.386 12.741 0.365 1.00 0.00 C ATOM 1008 CG1 VAL A 64 11.728 13.190 -0.200 1.00 0.00 C ATOM 1009 CG2 VAL A 64 10.246 11.221 0.211 1.00 0.00 C ATOM 0 H VAL A 64 10.171 11.464 2.809 1.00 0.00 H new ATOM 0 HA VAL A 64 10.675 14.222 1.876 1.00 0.00 H new ATOM 0 HB VAL A 64 9.578 13.191 -0.212 1.00 0.00 H new ATOM 0 HG11 VAL A 64 11.846 12.799 -1.211 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.766 14.279 -0.225 1.00 0.00 H new ATOM 0 HG13 VAL A 64 12.533 12.813 0.431 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.422 10.943 -0.828 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.975 10.722 0.849 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.241 10.917 0.502 1.00 0.00 H new ATOM 1019 N LYS A 65 8.045 14.476 1.579 1.00 0.00 N ATOM 1020 CA LYS A 65 6.603 14.685 1.625 1.00 0.00 C ATOM 1021 C LYS A 65 6.132 14.893 0.196 1.00 0.00 C ATOM 1022 O LYS A 65 6.666 15.755 -0.499 1.00 0.00 O ATOM 1023 CB LYS A 65 6.286 15.894 2.514 1.00 0.00 C ATOM 1024 CG LYS A 65 4.785 16.006 2.809 1.00 0.00 C ATOM 1025 CD LYS A 65 4.487 17.214 3.707 1.00 0.00 C ATOM 1026 CE LYS A 65 2.980 17.307 3.985 1.00 0.00 C ATOM 1027 NZ LYS A 65 2.637 18.471 4.840 1.00 0.00 N ATOM 0 H LYS A 65 8.550 15.245 1.140 1.00 0.00 H new ATOM 0 HA LYS A 65 6.085 13.828 2.056 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.835 15.810 3.452 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.629 16.805 2.024 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.233 16.100 1.874 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.438 15.094 3.294 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.033 17.122 4.646 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.833 18.129 3.226 1.00 0.00 H new ATOM 0 HE2 LYS A 65 2.442 17.382 3.040 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.645 16.391 4.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.610 18.493 5.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.129 18.388 5.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.932 19.349 4.366 1.00 0.00 H new ATOM 1041 N VAL A 66 5.173 14.096 -0.256 1.00 0.00 N ATOM 1042 CA VAL A 66 4.614 14.200 -1.599 1.00 0.00 C ATOM 1043 C VAL A 66 3.784 15.485 -1.675 1.00 0.00 C ATOM 1044 O VAL A 66 3.114 15.853 -0.705 1.00 0.00 O ATOM 1045 CB VAL A 66 3.803 12.925 -1.928 1.00 0.00 C ATOM 1046 CG1 VAL A 66 3.126 12.993 -3.306 1.00 0.00 C ATOM 1047 CG2 VAL A 66 4.710 11.682 -1.910 1.00 0.00 C ATOM 0 H VAL A 66 4.757 13.352 0.304 1.00 0.00 H new ATOM 0 HA VAL A 66 5.397 14.265 -2.354 1.00 0.00 H new ATOM 0 HB VAL A 66 3.033 12.855 -1.159 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.571 12.072 -3.484 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.441 13.841 -3.334 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.885 13.115 -4.079 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.119 10.797 -2.144 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.500 11.797 -2.652 1.00 0.00 H new ATOM 0 HG23 VAL A 66 5.155 11.570 -0.921 1.00 0.00 H new ATOM 1057 N LEU A 67 3.810 16.149 -2.834 1.00 0.00 N ATOM 1058 CA LEU A 67 3.097 17.399 -3.085 1.00 0.00 C ATOM 1059 C LEU A 67 2.098 17.214 -4.228 1.00 0.00 C ATOM 1060 O LEU A 67 0.986 17.733 -4.148 1.00 0.00 O ATOM 1061 CB LEU A 67 4.094 18.523 -3.425 1.00 0.00 C ATOM 1062 CG LEU A 67 5.167 18.790 -2.351 1.00 0.00 C ATOM 1063 CD1 LEU A 67 6.188 19.786 -2.899 1.00 0.00 C ATOM 1064 CD2 LEU A 67 4.584 19.320 -1.037 1.00 0.00 C ATOM 0 H LEU A 67 4.341 15.822 -3.641 1.00 0.00 H new ATOM 0 HA LEU A 67 2.551 17.679 -2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.593 18.274 -4.362 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.536 19.444 -3.596 1.00 0.00 H new ATOM 0 HG LEU A 67 5.640 17.835 -2.122 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.950 19.979 -2.144 1.00 0.00 H new ATOM 0 HD12 LEU A 67 6.658 19.372 -3.791 1.00 0.00 H new ATOM 0 HD13 LEU A 67 5.685 20.719 -3.154 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.390 19.488 -0.323 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.063 20.259 -1.223 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.884 18.591 -0.629 1.00 0.00 H new ATOM 1076 N SER A 68 2.461 16.466 -5.275 1.00 0.00 N ATOM 1077 CA SER A 68 1.591 16.040 -6.374 1.00 0.00 C ATOM 1078 C SER A 68 2.297 14.898 -7.114 1.00 0.00 C ATOM 1079 O SER A 68 3.523 14.801 -7.044 1.00 0.00 O ATOM 1080 CB SER A 68 1.359 17.209 -7.349 1.00 0.00 C ATOM 1081 OG SER A 68 0.560 18.223 -6.765 1.00 0.00 O ATOM 0 H SER A 68 3.416 16.125 -5.384 1.00 0.00 H new ATOM 0 HA SER A 68 0.627 15.715 -5.984 1.00 0.00 H new ATOM 0 HB2 SER A 68 2.319 17.629 -7.650 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.876 16.839 -8.253 1.00 0.00 H new ATOM 0 HG SER A 68 0.370 17.993 -5.832 1.00 0.00 H new ATOM 1087 N ALA A 69 1.559 14.057 -7.847 1.00 0.00 N ATOM 1088 CA ALA A 69 2.140 13.043 -8.722 1.00 0.00 C ATOM 1089 C ALA A 69 1.177 12.681 -9.855 1.00 0.00 C ATOM 1090 O ALA A 69 -0.039 12.856 -9.718 1.00 0.00 O ATOM 1091 CB ALA A 69 2.503 11.792 -7.910 1.00 0.00 C ATOM 0 H ALA A 69 0.539 14.064 -7.847 1.00 0.00 H new ATOM 0 HA ALA A 69 3.047 13.452 -9.167 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.936 11.042 -8.572 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.227 12.056 -7.139 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.605 11.389 -7.442 1.00 0.00 H new ATOM 1097 N SER A 70 1.730 12.144 -10.945 1.00 0.00 N ATOM 1098 CA SER A 70 1.035 11.811 -12.188 1.00 0.00 C ATOM 1099 C SER A 70 1.737 10.630 -12.873 1.00 0.00 C ATOM 1100 O SER A 70 2.890 10.324 -12.556 1.00 0.00 O ATOM 1101 CB SER A 70 1.066 13.029 -13.130 1.00 0.00 C ATOM 1102 OG SER A 70 0.530 14.197 -12.522 1.00 0.00 O ATOM 0 H SER A 70 2.724 11.919 -10.985 1.00 0.00 H new ATOM 0 HA SER A 70 0.003 11.541 -11.963 1.00 0.00 H new ATOM 0 HB2 SER A 70 2.094 13.221 -13.437 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.501 12.801 -14.034 1.00 0.00 H new ATOM 0 HG SER A 70 0.572 14.944 -13.155 1.00 0.00 H new ATOM 1108 N SER A 71 1.076 9.981 -13.834 1.00 0.00 N ATOM 1109 CA SER A 71 1.697 8.984 -14.705 1.00 0.00 C ATOM 1110 C SER A 71 2.877 9.604 -15.472 1.00 0.00 C ATOM 1111 O SER A 71 2.867 10.803 -15.766 1.00 0.00 O ATOM 1112 CB SER A 71 0.643 8.435 -15.676 1.00 0.00 C ATOM 1113 OG SER A 71 -0.526 8.032 -14.975 1.00 0.00 O ATOM 0 H SER A 71 0.087 10.135 -14.030 1.00 0.00 H new ATOM 0 HA SER A 71 2.085 8.164 -14.101 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.387 9.198 -16.411 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.054 7.588 -16.225 1.00 0.00 H new ATOM 0 HG SER A 71 -1.186 7.687 -15.611 1.00 0.00 H new ATOM 1119 N TYR A 72 3.899 8.804 -15.796 1.00 0.00 N ATOM 1120 CA TYR A 72 5.082 9.305 -16.488 1.00 0.00 C ATOM 1121 C TYR A 72 4.740 9.735 -17.918 1.00 0.00 C ATOM 1122 O TYR A 72 3.929 9.101 -18.599 1.00 0.00 O ATOM 1123 CB TYR A 72 6.197 8.247 -16.495 1.00 0.00 C ATOM 1124 CG TYR A 72 7.359 8.573 -17.421 1.00 0.00 C ATOM 1125 CD1 TYR A 72 8.213 9.657 -17.135 1.00 0.00 C ATOM 1126 CD2 TYR A 72 7.550 7.831 -18.602 1.00 0.00 C ATOM 1127 CE1 TYR A 72 9.249 9.998 -18.021 1.00 0.00 C ATOM 1128 CE2 TYR A 72 8.596 8.156 -19.484 1.00 0.00 C ATOM 1129 CZ TYR A 72 9.456 9.239 -19.194 1.00 0.00 C ATOM 1130 OH TYR A 72 10.489 9.554 -20.023 1.00 0.00 O ATOM 0 H TYR A 72 3.926 7.806 -15.588 1.00 0.00 H new ATOM 0 HA TYR A 72 5.442 10.180 -15.947 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.577 8.129 -15.480 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.771 7.288 -16.789 1.00 0.00 H new ATOM 0 HD1 TYR A 72 8.070 10.229 -16.230 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.890 7.008 -18.832 1.00 0.00 H new ATOM 0 HE1 TYR A 72 9.888 10.842 -17.805 1.00 0.00 H new ATOM 0 HE2 TYR A 72 8.742 7.577 -20.384 1.00 0.00 H new ATOM 0 HH TYR A 72 10.497 8.938 -20.785 1.00 0.00 H new ATOM 1140 N SER A 73 5.387 10.804 -18.381 1.00 0.00 N ATOM 1141 CA SER A 73 5.439 11.245 -19.764 1.00 0.00 C ATOM 1142 C SER A 73 6.715 12.093 -19.883 1.00 0.00 C ATOM 1143 O SER A 73 6.973 12.885 -18.973 1.00 0.00 O ATOM 1144 CB SER A 73 4.189 12.066 -20.097 1.00 0.00 C ATOM 1145 OG SER A 73 3.042 11.236 -20.135 1.00 0.00 O ATOM 0 H SER A 73 5.917 11.416 -17.761 1.00 0.00 H new ATOM 0 HA SER A 73 5.462 10.410 -20.464 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.053 12.849 -19.352 1.00 0.00 H new ATOM 0 HB3 SER A 73 4.318 12.561 -21.060 1.00 0.00 H new ATOM 0 HG SER A 73 3.253 10.368 -19.732 1.00 0.00 H new ATOM 1151 N PRO A 74 7.521 11.956 -20.950 1.00 0.00 N ATOM 1152 CA PRO A 74 8.846 12.569 -21.010 1.00 0.00 C ATOM 1153 C PRO A 74 8.781 14.096 -20.960 1.00 0.00 C ATOM 1154 O PRO A 74 9.482 14.726 -20.171 1.00 0.00 O ATOM 1155 CB PRO A 74 9.483 12.074 -22.316 1.00 0.00 C ATOM 1156 CG PRO A 74 8.318 11.537 -23.147 1.00 0.00 C ATOM 1157 CD PRO A 74 7.296 11.098 -22.102 1.00 0.00 C ATOM 0 HA PRO A 74 9.442 12.283 -20.143 1.00 0.00 H new ATOM 0 HB2 PRO A 74 9.998 12.882 -22.835 1.00 0.00 H new ATOM 0 HB3 PRO A 74 10.222 11.296 -22.124 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.911 12.303 -23.807 1.00 0.00 H new ATOM 0 HG3 PRO A 74 8.628 10.704 -23.778 1.00 0.00 H new ATOM 0 HD2 PRO A 74 6.279 11.206 -22.479 1.00 0.00 H new ATOM 0 HD3 PRO A 74 7.429 10.048 -21.841 1.00 0.00 H new ATOM 1165 N ASP A 75 7.915 14.692 -21.780 1.00 0.00 N ATOM 1166 CA ASP A 75 7.764 16.143 -21.838 1.00 0.00 C ATOM 1167 C ASP A 75 7.251 16.690 -20.504 1.00 0.00 C ATOM 1168 O ASP A 75 7.704 17.735 -20.042 1.00 0.00 O ATOM 1169 CB ASP A 75 6.815 16.514 -22.981 1.00 0.00 C ATOM 1170 CG ASP A 75 6.633 18.033 -23.094 1.00 0.00 C ATOM 1171 OD1 ASP A 75 7.604 18.744 -23.434 1.00 0.00 O ATOM 1172 OD2 ASP A 75 5.496 18.515 -22.894 1.00 0.00 O ATOM 0 H ASP A 75 7.303 14.185 -22.419 1.00 0.00 H new ATOM 0 HA ASP A 75 8.738 16.594 -22.027 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.206 16.123 -23.920 1.00 0.00 H new ATOM 0 HB3 ASP A 75 5.846 16.042 -22.818 1.00 0.00 H new ATOM 1177 N GLU A 76 6.343 15.961 -19.847 1.00 0.00 N ATOM 1178 CA GLU A 76 5.757 16.379 -18.581 1.00 0.00 C ATOM 1179 C GLU A 76 6.758 16.238 -17.425 1.00 0.00 C ATOM 1180 O GLU A 76 6.723 17.030 -16.481 1.00 0.00 O ATOM 1181 CB GLU A 76 4.468 15.585 -18.322 1.00 0.00 C ATOM 1182 CG GLU A 76 3.541 16.330 -17.354 1.00 0.00 C ATOM 1183 CD GLU A 76 2.229 15.563 -17.115 1.00 0.00 C ATOM 1184 OE1 GLU A 76 1.283 15.701 -17.924 1.00 0.00 O ATOM 1185 OE2 GLU A 76 2.124 14.840 -16.101 1.00 0.00 O ATOM 0 H GLU A 76 5.997 15.063 -20.184 1.00 0.00 H new ATOM 0 HA GLU A 76 5.503 17.437 -18.643 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.949 15.411 -19.265 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.717 14.607 -17.910 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.053 16.480 -16.403 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.316 17.319 -17.754 1.00 0.00 H new ATOM 1192 N TRP A 77 7.667 15.261 -17.491 1.00 0.00 N ATOM 1193 CA TRP A 77 8.796 15.144 -16.581 1.00 0.00 C ATOM 1194 C TRP A 77 9.674 16.385 -16.734 1.00 0.00 C ATOM 1195 O TRP A 77 9.927 17.082 -15.749 1.00 0.00 O ATOM 1196 CB TRP A 77 9.550 13.831 -16.877 1.00 0.00 C ATOM 1197 CG TRP A 77 10.997 13.770 -16.493 1.00 0.00 C ATOM 1198 CD1 TRP A 77 11.501 14.062 -15.276 1.00 0.00 C ATOM 1199 CD2 TRP A 77 12.151 13.437 -17.328 1.00 0.00 C ATOM 1200 NE1 TRP A 77 12.874 13.937 -15.295 1.00 0.00 N ATOM 1201 CE2 TRP A 77 13.335 13.591 -16.547 1.00 0.00 C ATOM 1202 CE3 TRP A 77 12.322 13.044 -18.674 1.00 0.00 C ATOM 1203 CZ2 TRP A 77 14.619 13.399 -17.082 1.00 0.00 C ATOM 1204 CZ3 TRP A 77 13.604 12.831 -19.217 1.00 0.00 C ATOM 1205 CH2 TRP A 77 14.752 13.013 -18.426 1.00 0.00 C ATOM 0 H TRP A 77 7.633 14.520 -18.192 1.00 0.00 H new ATOM 0 HA TRP A 77 8.471 15.097 -15.542 1.00 0.00 H new ATOM 0 HB2 TRP A 77 9.030 13.021 -16.366 1.00 0.00 H new ATOM 0 HB3 TRP A 77 9.476 13.633 -17.946 1.00 0.00 H new ATOM 0 HD1 TRP A 77 10.916 14.351 -14.415 1.00 0.00 H new ATOM 0 HE1 TRP A 77 13.474 14.083 -14.483 1.00 0.00 H new ATOM 0 HE3 TRP A 77 11.452 12.904 -19.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 15.494 13.546 -16.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 13.706 12.526 -20.248 1.00 0.00 H new ATOM 0 HH2 TRP A 77 15.733 12.857 -18.850 1.00 0.00 H new ATOM 1216 N GLU A 78 10.086 16.703 -17.963 1.00 0.00 N ATOM 1217 CA GLU A 78 11.030 17.787 -18.205 1.00 0.00 C ATOM 1218 C GLU A 78 10.458 19.157 -17.858 1.00 0.00 C ATOM 1219 O GLU A 78 11.206 20.036 -17.422 1.00 0.00 O ATOM 1220 CB GLU A 78 11.539 17.749 -19.652 1.00 0.00 C ATOM 1221 CG GLU A 78 12.475 16.555 -19.890 1.00 0.00 C ATOM 1222 CD GLU A 78 13.101 16.597 -21.295 1.00 0.00 C ATOM 1223 OE1 GLU A 78 12.490 16.099 -22.267 1.00 0.00 O ATOM 1224 OE2 GLU A 78 14.227 17.127 -21.444 1.00 0.00 O ATOM 0 H GLU A 78 9.777 16.221 -18.807 1.00 0.00 H new ATOM 0 HA GLU A 78 11.874 17.628 -17.534 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.692 17.690 -20.335 1.00 0.00 H new ATOM 0 HB3 GLU A 78 12.066 18.676 -19.878 1.00 0.00 H new ATOM 0 HG2 GLU A 78 13.265 16.556 -19.139 1.00 0.00 H new ATOM 0 HG3 GLU A 78 11.919 15.626 -19.767 1.00 0.00 H new ATOM 1231 N ARG A 79 9.148 19.342 -18.002 1.00 0.00 N ATOM 1232 CA ARG A 79 8.451 20.521 -17.502 1.00 0.00 C ATOM 1233 C ARG A 79 8.610 20.644 -15.992 1.00 0.00 C ATOM 1234 O ARG A 79 9.011 21.700 -15.509 1.00 0.00 O ATOM 1235 CB ARG A 79 6.965 20.402 -17.842 1.00 0.00 C ATOM 1236 CG ARG A 79 6.643 20.803 -19.285 1.00 0.00 C ATOM 1237 CD ARG A 79 5.155 20.573 -19.573 1.00 0.00 C ATOM 1238 NE ARG A 79 4.910 20.471 -21.016 1.00 0.00 N ATOM 1239 CZ ARG A 79 4.397 21.381 -21.844 1.00 0.00 C ATOM 1240 NH1 ARG A 79 3.991 22.574 -21.416 1.00 0.00 N ATOM 1241 NH2 ARG A 79 4.307 21.046 -23.124 1.00 0.00 N ATOM 0 H ARG A 79 8.538 18.673 -18.472 1.00 0.00 H new ATOM 0 HA ARG A 79 8.879 21.407 -17.970 1.00 0.00 H new ATOM 0 HB2 ARG A 79 6.642 19.374 -17.677 1.00 0.00 H new ATOM 0 HB3 ARG A 79 6.391 21.030 -17.160 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.895 21.851 -19.445 1.00 0.00 H new ATOM 0 HG3 ARG A 79 7.250 20.220 -19.977 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.822 19.661 -19.078 1.00 0.00 H new ATOM 0 HD3 ARG A 79 4.569 21.393 -19.158 1.00 0.00 H new ATOM 0 HE ARG A 79 5.168 19.582 -21.444 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.068 22.815 -20.428 1.00 0.00 H new ATOM 0 HH12 ARG A 79 3.603 23.248 -22.076 1.00 0.00 H new ATOM 0 HH21 ARG A 79 4.623 20.127 -23.434 1.00 0.00 H new ATOM 0 HH22 ARG A 79 3.921 21.707 -23.798 1.00 0.00 H new ATOM 1255 N GLN A 80 8.306 19.587 -15.233 1.00 0.00 N ATOM 1256 CA GLN A 80 8.293 19.653 -13.774 1.00 0.00 C ATOM 1257 C GLN A 80 9.683 19.998 -13.223 1.00 0.00 C ATOM 1258 O GLN A 80 9.778 20.736 -12.240 1.00 0.00 O ATOM 1259 CB GLN A 80 7.714 18.354 -13.184 1.00 0.00 C ATOM 1260 CG GLN A 80 6.199 18.279 -13.434 1.00 0.00 C ATOM 1261 CD GLN A 80 5.584 16.926 -13.089 1.00 0.00 C ATOM 1262 OE1 GLN A 80 5.277 16.631 -11.938 1.00 0.00 O ATOM 1263 NE2 GLN A 80 5.365 16.096 -14.094 1.00 0.00 N ATOM 0 H GLN A 80 8.065 18.671 -15.611 1.00 0.00 H new ATOM 0 HA GLN A 80 7.635 20.464 -13.461 1.00 0.00 H new ATOM 0 HB2 GLN A 80 8.206 17.492 -13.634 1.00 0.00 H new ATOM 0 HB3 GLN A 80 7.915 18.313 -12.113 1.00 0.00 H new ATOM 0 HG2 GLN A 80 5.705 19.053 -12.847 1.00 0.00 H new ATOM 0 HG3 GLN A 80 6.002 18.500 -14.483 1.00 0.00 H new ATOM 0 HE21 GLN A 80 5.629 16.363 -15.043 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.932 15.189 -13.921 1.00 0.00 H new ATOM 1272 N CYS A 81 10.760 19.573 -13.895 1.00 0.00 N ATOM 1273 CA CYS A 81 12.123 19.958 -13.533 1.00 0.00 C ATOM 1274 C CYS A 81 12.313 21.482 -13.534 1.00 0.00 C ATOM 1275 O CYS A 81 13.065 22.003 -12.711 1.00 0.00 O ATOM 1276 CB CYS A 81 13.119 19.322 -14.511 1.00 0.00 C ATOM 1277 SG CYS A 81 12.990 17.511 -14.497 1.00 0.00 S ATOM 0 H CYS A 81 10.708 18.953 -14.704 1.00 0.00 H new ATOM 0 HA CYS A 81 12.305 19.599 -12.520 1.00 0.00 H new ATOM 0 HB2 CYS A 81 12.932 19.695 -15.518 1.00 0.00 H new ATOM 0 HB3 CYS A 81 14.134 19.619 -14.245 1.00 0.00 H new ATOM 0 HG CYS A 81 13.326 17.061 -13.325 1.00 0.00 H new ATOM 1283 N LYS A 82 11.640 22.212 -14.433 1.00 0.00 N ATOM 1284 CA LYS A 82 11.718 23.665 -14.496 1.00 0.00 C ATOM 1285 C LYS A 82 11.048 24.263 -13.273 1.00 0.00 C ATOM 1286 O LYS A 82 11.596 25.183 -12.674 1.00 0.00 O ATOM 1287 CB LYS A 82 11.062 24.225 -15.773 1.00 0.00 C ATOM 1288 CG LYS A 82 11.479 23.555 -17.084 1.00 0.00 C ATOM 1289 CD LYS A 82 12.988 23.646 -17.347 1.00 0.00 C ATOM 1290 CE LYS A 82 13.307 23.024 -18.710 1.00 0.00 C ATOM 1291 NZ LYS A 82 13.297 21.538 -18.680 1.00 0.00 N ATOM 0 H LYS A 82 11.025 21.803 -15.137 1.00 0.00 H new ATOM 0 HA LYS A 82 12.772 23.940 -14.520 1.00 0.00 H new ATOM 0 HB2 LYS A 82 9.980 24.139 -15.671 1.00 0.00 H new ATOM 0 HB3 LYS A 82 11.292 25.288 -15.841 1.00 0.00 H new ATOM 0 HG2 LYS A 82 11.182 22.507 -17.061 1.00 0.00 H new ATOM 0 HG3 LYS A 82 10.942 24.020 -17.911 1.00 0.00 H new ATOM 0 HD2 LYS A 82 13.309 24.687 -17.326 1.00 0.00 H new ATOM 0 HD3 LYS A 82 13.537 23.127 -16.561 1.00 0.00 H new ATOM 0 HE2 LYS A 82 12.580 23.373 -19.443 1.00 0.00 H new ATOM 0 HE3 LYS A 82 14.286 23.370 -19.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 13.315 21.171 -19.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 14.133 21.196 -18.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 12.435 21.206 -18.201 1.00 0.00 H new ATOM 1305 N VAL A 83 9.895 23.731 -12.866 1.00 0.00 N ATOM 1306 CA VAL A 83 9.108 24.302 -11.782 1.00 0.00 C ATOM 1307 C VAL A 83 9.870 24.193 -10.450 1.00 0.00 C ATOM 1308 O VAL A 83 9.758 25.091 -9.612 1.00 0.00 O ATOM 1309 CB VAL A 83 7.698 23.666 -11.730 1.00 0.00 C ATOM 1310 CG1 VAL A 83 6.747 24.500 -10.856 1.00 0.00 C ATOM 1311 CG2 VAL A 83 7.043 23.561 -13.120 1.00 0.00 C ATOM 0 H VAL A 83 9.484 22.894 -13.280 1.00 0.00 H new ATOM 0 HA VAL A 83 8.956 25.365 -11.971 1.00 0.00 H new ATOM 0 HB VAL A 83 7.848 22.669 -11.316 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.764 24.030 -10.837 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.141 24.557 -9.841 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.661 25.505 -11.269 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.056 23.108 -13.024 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.944 24.557 -13.552 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.664 22.944 -13.769 1.00 0.00 H new ATOM 1321 N ALA A 84 10.700 23.158 -10.263 1.00 0.00 N ATOM 1322 CA ALA A 84 11.604 23.042 -9.115 1.00 0.00 C ATOM 1323 C ALA A 84 12.621 24.191 -9.048 1.00 0.00 C ATOM 1324 O ALA A 84 13.084 24.540 -7.962 1.00 0.00 O ATOM 1325 CB ALA A 84 12.341 21.702 -9.183 1.00 0.00 C ATOM 0 H ALA A 84 10.762 22.372 -10.911 1.00 0.00 H new ATOM 0 HA ALA A 84 10.997 23.097 -8.211 1.00 0.00 H new ATOM 0 HB1 ALA A 84 13.014 21.613 -8.330 1.00 0.00 H new ATOM 0 HB2 ALA A 84 11.617 20.887 -9.160 1.00 0.00 H new ATOM 0 HB3 ALA A 84 12.917 21.650 -10.107 1.00 0.00 H new ATOM 1331 N GLY A 85 12.953 24.794 -10.192 1.00 0.00 N ATOM 1332 CA GLY A 85 13.861 25.927 -10.321 1.00 0.00 C ATOM 1333 C GLY A 85 13.121 27.230 -10.622 1.00 0.00 C ATOM 1334 O GLY A 85 13.756 28.190 -11.063 1.00 0.00 O ATOM 0 H GLY A 85 12.578 24.490 -11.090 1.00 0.00 H new ATOM 0 HA2 GLY A 85 14.431 26.040 -9.399 1.00 0.00 H new ATOM 0 HA3 GLY A 85 14.578 25.727 -11.117 1.00 0.00 H new ATOM 1338 N LYS A 86 11.795 27.288 -10.407 1.00 0.00 N ATOM 1339 CA LYS A 86 10.939 28.446 -10.708 1.00 0.00 C ATOM 1340 C LYS A 86 11.055 28.907 -12.170 1.00 0.00 C ATOM 1341 O LYS A 86 10.844 30.082 -12.477 1.00 0.00 O ATOM 1342 CB LYS A 86 11.173 29.566 -9.669 1.00 0.00 C ATOM 1343 CG LYS A 86 10.647 29.164 -8.283 1.00 0.00 C ATOM 1344 CD LYS A 86 11.113 30.125 -7.180 1.00 0.00 C ATOM 1345 CE LYS A 86 10.348 29.772 -5.900 1.00 0.00 C ATOM 1346 NZ LYS A 86 11.088 30.083 -4.654 1.00 0.00 N ATOM 0 H LYS A 86 11.275 26.507 -10.007 1.00 0.00 H new ATOM 0 HA LYS A 86 9.897 28.140 -10.612 1.00 0.00 H new ATOM 0 HB2 LYS A 86 12.238 29.788 -9.605 1.00 0.00 H new ATOM 0 HB3 LYS A 86 10.676 30.479 -9.998 1.00 0.00 H new ATOM 0 HG2 LYS A 86 9.557 29.140 -8.304 1.00 0.00 H new ATOM 0 HG3 LYS A 86 10.984 28.154 -8.048 1.00 0.00 H new ATOM 0 HD2 LYS A 86 12.187 30.033 -7.021 1.00 0.00 H new ATOM 0 HD3 LYS A 86 10.921 31.159 -7.467 1.00 0.00 H new ATOM 0 HE2 LYS A 86 9.401 30.312 -5.893 1.00 0.00 H new ATOM 0 HE3 LYS A 86 10.108 28.709 -5.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 10.608 29.639 -3.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 12.058 29.716 -4.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 11.117 31.113 -4.516 1.00 0.00 H new ATOM 1360 N THR A 87 11.364 27.971 -13.070 1.00 0.00 N ATOM 1361 CA THR A 87 11.451 28.170 -14.515 1.00 0.00 C ATOM 1362 C THR A 87 12.417 29.326 -14.853 1.00 0.00 C ATOM 1363 O THR A 87 12.211 30.090 -15.800 1.00 0.00 O ATOM 1364 CB THR A 87 10.016 28.269 -15.088 1.00 0.00 C ATOM 1365 OG1 THR A 87 9.201 27.268 -14.488 1.00 0.00 O ATOM 1366 CG2 THR A 87 9.928 28.055 -16.605 1.00 0.00 C ATOM 0 H THR A 87 11.570 27.010 -12.797 1.00 0.00 H new ATOM 0 HA THR A 87 11.906 27.317 -15.019 1.00 0.00 H new ATOM 0 HB THR A 87 9.684 29.283 -14.868 1.00 0.00 H new ATOM 0 HG1 THR A 87 8.291 27.328 -14.847 1.00 0.00 H new ATOM 0 HG21 THR A 87 8.890 28.141 -16.925 1.00 0.00 H new ATOM 0 HG22 THR A 87 10.528 28.809 -17.114 1.00 0.00 H new ATOM 0 HG23 THR A 87 10.304 27.063 -16.855 1.00 0.00 H new ATOM 1374 N GLN A 88 13.472 29.478 -14.043 1.00 0.00 N ATOM 1375 CA GLN A 88 14.512 30.475 -14.253 1.00 0.00 C ATOM 1376 C GLN A 88 15.387 30.037 -15.427 1.00 0.00 C ATOM 1377 O GLN A 88 15.708 30.887 -16.281 1.00 0.00 O ATOM 1378 CB GLN A 88 15.335 30.665 -12.969 1.00 0.00 C ATOM 1379 CG GLN A 88 14.523 31.367 -11.867 1.00 0.00 C ATOM 1380 CD GLN A 88 15.290 31.403 -10.544 1.00 0.00 C ATOM 1381 OE1 GLN A 88 15.896 32.407 -10.176 1.00 0.00 O ATOM 1382 NE2 GLN A 88 15.286 30.304 -9.811 1.00 0.00 N ATOM 1383 OXT GLN A 88 15.758 28.845 -15.497 1.00 0.00 O ATOM 0 H GLN A 88 13.623 28.902 -13.215 1.00 0.00 H new ATOM 0 HA GLN A 88 14.064 31.439 -14.494 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.674 29.694 -12.608 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.227 31.251 -13.192 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.286 32.384 -12.180 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.575 30.848 -11.725 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.778 29.479 -10.131 1.00 0.00 H new ATOM 0 HE22 GLN A 88 15.791 30.280 -8.925 1.00 0.00 H new TER 1392 GLN A 88