USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 564 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 16 THR OG1 : rot 130:sc= -0.419 USER MOD Set 1.2: A 20 HIS : no HD1:sc= -2.1! C(o=-3!,f=-4.5!) USER MOD Set 1.3: A 67 ASN : amide:sc= -0.437 K(o=-3,f=-2.2) USER MOD Set 2.1: A 23 GLN : amide:sc= -1.17! C(o=-6.7!,f=-8.5!) USER MOD Set 2.2: A 33 HIS : no HD1:sc= -5.54! C(o=-6.7!,f=-5.5!) USER MOD Set 3.1: A 3 LYS NZ :NH3+ 171:sc= 0.481 (180deg=0.449) USER MOD Set 3.2: A 8 ASN : amide:sc= -0.172 K(o=0.31,f=-4.2!) USER MOD Single : A 1 CYS N :NH3+ -112:sc= -1.52 (180deg=-3.54!) USER MOD Single : A 1 CYS SG : rot 180:sc= 0.0411 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0208 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -10.4! C(o=-10!,f=-16!) USER MOD Single : A 18 SER OG : rot 146:sc= 1.23 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 26 SER OG : rot 180:sc= 0.012 USER MOD Single : A 28 GLN : amide:sc= 0.449 K(o=0.45,f=-0.77) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= -1.23 K(o=-1.2,f=-2!) USER MOD Single : A 32 THR OG1 : rot 56:sc= 0.0723 USER MOD Single : A 34 ASN : amide:sc= -0.338 X(o=-0.34,f=-0.3) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.593 K(o=0.59,f=-0.52) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -178:sc= 1.21 (180deg=1.13) USER MOD Single : A 45 ASN : amide:sc= -1.19 K(o=-1.2,f=-1.8!) USER MOD Single : A 49 ASN : amide:sc= -0.574 K(o=-0.57,f=-6.3!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 1.88 K(o=1.9,f=-14!) USER MOD Single : A 57 LYS NZ :NH3+ -124:sc= 0.00783 (180deg=-0.0116) USER MOD Single : A 64 HIS : no HD1:sc= -2.08 K(o=-2.1,f=-2.9!) USER MOD Single : A 65 THR OG1 : rot -81:sc= -0.324 USER MOD Single : A 66 THR OG1 : rot 130:sc= -3.55! USER MOD Single : A 68 SER OG : rot 180:sc= 0.0575 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 55 N CYS A 1 10.839 26.736 -21.214 1.00 0.00 N ATOM 56 CA CYS A 1 11.498 26.599 -19.919 1.00 0.00 C ATOM 57 C CYS A 1 10.529 26.132 -18.845 1.00 0.00 C ATOM 58 O CYS A 1 9.313 26.209 -19.014 1.00 0.00 O ATOM 59 CB CYS A 1 12.157 27.920 -19.506 1.00 0.00 C ATOM 60 SG CYS A 1 11.055 29.371 -19.548 1.00 0.00 S ATOM 0 H1 CYS A 1 11.201 26.011 -21.866 1.00 0.00 H new ATOM 0 H2 CYS A 1 9.813 26.614 -21.096 1.00 0.00 H new ATOM 0 H3 CYS A 1 11.033 27.681 -21.604 1.00 0.00 H new ATOM 0 HA CYS A 1 12.271 25.838 -20.023 1.00 0.00 H new ATOM 0 HB2 CYS A 1 12.553 27.812 -18.496 1.00 0.00 H new ATOM 0 HB3 CYS A 1 13.006 28.107 -20.163 1.00 0.00 H new ATOM 0 HG CYS A 1 11.715 30.428 -19.179 1.00 0.00 H new ATOM 65 N LEU A 2 11.082 25.609 -17.760 1.00 0.00 N ATOM 66 CA LEU A 2 10.286 25.092 -16.654 1.00 0.00 C ATOM 67 C LEU A 2 9.817 26.195 -15.715 1.00 0.00 C ATOM 68 O LEU A 2 10.492 27.209 -15.542 1.00 0.00 O ATOM 69 CB LEU A 2 11.113 24.086 -15.871 1.00 0.00 C ATOM 70 CG LEU A 2 10.393 23.355 -14.757 1.00 0.00 C ATOM 71 CD1 LEU A 2 9.242 22.554 -15.326 1.00 0.00 C ATOM 72 CD2 LEU A 2 11.368 22.463 -14.009 1.00 0.00 C ATOM 0 H LEU A 2 12.089 25.531 -17.621 1.00 0.00 H new ATOM 0 HA LEU A 2 9.399 24.619 -17.077 1.00 0.00 H new ATOM 0 HB2 LEU A 2 11.505 23.347 -16.569 1.00 0.00 H new ATOM 0 HB3 LEU A 2 11.970 24.606 -15.443 1.00 0.00 H new ATOM 0 HG LEU A 2 9.986 24.079 -14.051 1.00 0.00 H new ATOM 0 HD11 LEU A 2 8.729 22.031 -14.519 1.00 0.00 H new ATOM 0 HD12 LEU A 2 8.543 23.225 -15.825 1.00 0.00 H new ATOM 0 HD13 LEU A 2 9.624 21.828 -16.044 1.00 0.00 H new ATOM 0 HD21 LEU A 2 10.843 21.940 -13.209 1.00 0.00 H new ATOM 0 HD22 LEU A 2 11.797 21.735 -14.698 1.00 0.00 H new ATOM 0 HD23 LEU A 2 12.165 23.072 -13.582 1.00 0.00 H new ATOM 84 N LYS A 3 8.673 25.950 -15.092 1.00 0.00 N ATOM 85 CA LYS A 3 8.063 26.877 -14.153 1.00 0.00 C ATOM 86 C LYS A 3 8.270 26.399 -12.716 1.00 0.00 C ATOM 87 O LYS A 3 7.310 26.187 -11.970 1.00 0.00 O ATOM 88 CB LYS A 3 6.566 26.998 -14.461 1.00 0.00 C ATOM 89 CG LYS A 3 5.885 25.648 -14.646 1.00 0.00 C ATOM 90 CD LYS A 3 4.396 25.776 -14.947 1.00 0.00 C ATOM 91 CE LYS A 3 4.125 26.766 -16.078 1.00 0.00 C ATOM 92 NZ LYS A 3 2.681 26.830 -16.435 1.00 0.00 N1+ ATOM 0 H LYS A 3 8.138 25.092 -15.227 1.00 0.00 H new ATOM 0 HA LYS A 3 8.535 27.854 -14.258 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.076 27.538 -13.650 1.00 0.00 H new ATOM 0 HB3 LYS A 3 6.434 27.592 -15.365 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.371 25.109 -15.459 1.00 0.00 H new ATOM 0 HG3 LYS A 3 6.019 25.051 -13.744 1.00 0.00 H new ATOM 0 HD2 LYS A 3 3.995 24.799 -15.216 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.871 26.099 -14.048 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.468 27.757 -15.781 1.00 0.00 H new ATOM 0 HE3 LYS A 3 4.702 26.478 -16.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.521 27.618 -17.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.395 25.937 -16.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.117 26.980 -15.574 1.00 0.00 H new ATOM 106 N GLY A 4 9.524 26.202 -12.341 1.00 0.00 N ATOM 107 CA GLY A 4 9.833 25.787 -10.988 1.00 0.00 C ATOM 108 C GLY A 4 9.562 24.313 -10.763 1.00 0.00 C ATOM 109 O GLY A 4 10.416 23.475 -11.039 1.00 0.00 O ATOM 0 H GLY A 4 10.334 26.322 -12.949 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.881 25.998 -10.776 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.241 26.374 -10.286 1.00 0.00 H new ATOM 113 N THR A 5 8.374 23.995 -10.266 1.00 0.00 N ATOM 114 CA THR A 5 7.994 22.610 -10.039 1.00 0.00 C ATOM 115 C THR A 5 7.444 21.981 -11.312 1.00 0.00 C ATOM 116 O THR A 5 7.430 20.764 -11.468 1.00 0.00 O ATOM 117 CB THR A 5 6.957 22.489 -8.913 1.00 0.00 C ATOM 118 OG1 THR A 5 5.949 23.497 -9.070 1.00 0.00 O ATOM 119 CG2 THR A 5 7.615 22.622 -7.552 1.00 0.00 C ATOM 0 H THR A 5 7.659 24.677 -10.013 1.00 0.00 H new ATOM 0 HA THR A 5 8.895 22.075 -9.738 1.00 0.00 H new ATOM 0 HB THR A 5 6.496 21.503 -8.974 1.00 0.00 H new ATOM 0 HG1 THR A 5 5.289 23.414 -8.350 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.859 22.533 -6.772 1.00 0.00 H new ATOM 0 HG22 THR A 5 8.358 21.834 -7.429 1.00 0.00 H new ATOM 0 HG23 THR A 5 8.101 23.595 -7.476 1.00 0.00 H new ATOM 127 N GLY A 6 6.997 22.847 -12.219 1.00 0.00 N ATOM 128 CA GLY A 6 6.589 22.422 -13.540 1.00 0.00 C ATOM 129 C GLY A 6 5.364 21.542 -13.568 1.00 0.00 C ATOM 130 O GLY A 6 5.335 20.569 -14.319 1.00 0.00 O ATOM 0 H GLY A 6 6.911 23.850 -12.054 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.399 23.306 -14.149 1.00 0.00 H new ATOM 0 HA3 GLY A 6 7.416 21.886 -14.006 1.00 0.00 H new ATOM 134 N GLU A 7 4.344 21.898 -12.796 1.00 0.00 N ATOM 135 CA GLU A 7 3.100 21.132 -12.771 1.00 0.00 C ATOM 136 C GLU A 7 2.533 21.017 -14.180 1.00 0.00 C ATOM 137 O GLU A 7 2.371 19.921 -14.717 1.00 0.00 O ATOM 138 CB GLU A 7 2.088 21.809 -11.850 1.00 0.00 C ATOM 139 CG GLU A 7 2.484 21.765 -10.386 1.00 0.00 C ATOM 140 CD GLU A 7 1.650 22.685 -9.525 1.00 0.00 C ATOM 141 OE1 GLU A 7 0.547 22.281 -9.108 1.00 0.00 O ATOM 142 OE2 GLU A 7 2.105 23.818 -9.248 1.00 0.00 O1- ATOM 0 H GLU A 7 4.352 22.710 -12.179 1.00 0.00 H new ATOM 0 HA GLU A 7 3.306 20.131 -12.391 1.00 0.00 H new ATOM 0 HB2 GLU A 7 1.968 22.848 -12.155 1.00 0.00 H new ATOM 0 HB3 GLU A 7 1.118 21.327 -11.971 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.386 20.743 -10.019 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.535 22.039 -10.290 1.00 0.00 H new ATOM 149 N ASN A 8 2.261 22.165 -14.769 1.00 0.00 N ATOM 150 CA ASN A 8 1.806 22.243 -16.146 1.00 0.00 C ATOM 151 C ASN A 8 2.716 23.187 -16.937 1.00 0.00 C ATOM 152 O ASN A 8 2.249 24.075 -17.646 1.00 0.00 O ATOM 153 CB ASN A 8 0.344 22.717 -16.189 1.00 0.00 C ATOM 154 CG ASN A 8 0.160 24.141 -15.682 1.00 0.00 C ATOM 155 OD1 ASN A 8 0.932 24.626 -14.850 1.00 0.00 O ATOM 156 ND2 ASN A 8 -0.860 24.820 -16.178 1.00 0.00 N ATOM 0 H ASN A 8 2.349 23.071 -14.308 1.00 0.00 H new ATOM 0 HA ASN A 8 1.855 21.255 -16.604 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.022 22.653 -17.214 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.268 22.043 -15.589 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -1.030 25.779 -15.874 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.477 24.385 -16.864 1.00 0.00 H new ATOM 163 N TYR A 9 4.033 22.987 -16.772 1.00 0.00 N ATOM 164 CA TYR A 9 5.067 23.790 -17.448 1.00 0.00 C ATOM 165 C TYR A 9 4.716 24.105 -18.915 1.00 0.00 C ATOM 166 O TYR A 9 4.207 25.182 -19.213 1.00 0.00 O ATOM 167 CB TYR A 9 6.456 23.113 -17.327 1.00 0.00 C ATOM 168 CG TYR A 9 6.599 21.761 -18.020 1.00 0.00 C ATOM 169 CD1 TYR A 9 5.561 20.834 -18.043 1.00 0.00 C ATOM 170 CD2 TYR A 9 7.768 21.440 -18.694 1.00 0.00 C ATOM 171 CE1 TYR A 9 5.690 19.633 -18.712 1.00 0.00 C ATOM 172 CE2 TYR A 9 7.901 20.247 -19.371 1.00 0.00 C ATOM 173 CZ TYR A 9 6.861 19.344 -19.376 1.00 0.00 C ATOM 174 OH TYR A 9 6.986 18.163 -20.068 1.00 0.00 O ATOM 0 H TYR A 9 4.413 22.262 -16.164 1.00 0.00 H new ATOM 0 HA TYR A 9 5.108 24.751 -16.935 1.00 0.00 H new ATOM 0 HB2 TYR A 9 7.206 23.790 -17.735 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.685 22.984 -16.269 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.638 21.058 -17.528 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.591 22.139 -18.688 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.876 18.923 -18.714 1.00 0.00 H new ATOM 0 HE2 TYR A 9 8.817 20.021 -19.896 1.00 0.00 H new ATOM 0 HH TYR A 9 7.874 18.117 -20.479 1.00 0.00 H new ATOM 184 N ARG A 10 5.002 23.185 -19.825 1.00 0.00 N ATOM 185 CA ARG A 10 4.589 23.328 -21.204 1.00 0.00 C ATOM 186 C ARG A 10 3.865 22.055 -21.616 1.00 0.00 C ATOM 187 O ARG A 10 2.642 21.970 -21.557 1.00 0.00 O ATOM 188 CB ARG A 10 5.788 23.563 -22.134 1.00 0.00 C ATOM 189 CG ARG A 10 6.858 24.504 -21.599 1.00 0.00 C ATOM 190 CD ARG A 10 7.934 23.741 -20.839 1.00 0.00 C ATOM 191 NE ARG A 10 9.280 24.023 -21.345 1.00 0.00 N ATOM 192 CZ ARG A 10 10.191 23.083 -21.618 1.00 0.00 C ATOM 193 NH1 ARG A 10 9.949 21.822 -21.306 1.00 0.00 N1+ ATOM 194 NH2 ARG A 10 11.363 23.408 -22.156 1.00 0.00 N ATOM 0 H ARG A 10 5.521 22.330 -19.627 1.00 0.00 H new ATOM 0 HA ARG A 10 3.934 24.195 -21.289 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.251 22.600 -22.351 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.420 23.960 -23.080 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.312 25.050 -22.426 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.400 25.243 -20.942 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.884 24.003 -19.782 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.738 22.671 -20.912 1.00 0.00 H new ATOM 0 HE ARG A 10 9.538 24.998 -21.499 1.00 0.00 H new ATOM 0 HH11 ARG A 10 9.069 21.567 -20.858 1.00 0.00 H new ATOM 0 HH12 ARG A 10 10.642 21.103 -21.513 1.00 0.00 H new ATOM 0 HH21 ARG A 10 11.575 24.384 -22.365 1.00 0.00 H new ATOM 0 HH22 ARG A 10 12.050 22.682 -22.360 1.00 0.00 H new ATOM 208 N GLY A 11 4.641 21.042 -21.967 1.00 0.00 N ATOM 209 CA GLY A 11 4.077 19.768 -22.356 1.00 0.00 C ATOM 210 C GLY A 11 4.813 19.180 -23.534 1.00 0.00 C ATOM 211 O GLY A 11 4.202 18.777 -24.518 1.00 0.00 O ATOM 0 H GLY A 11 5.660 21.081 -21.989 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.121 19.076 -21.515 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.024 19.896 -22.609 1.00 0.00 H new ATOM 215 N ASN A 12 6.135 19.153 -23.435 1.00 0.00 N ATOM 216 CA ASN A 12 6.974 18.698 -24.543 1.00 0.00 C ATOM 217 C ASN A 12 7.777 17.449 -24.178 1.00 0.00 C ATOM 218 O ASN A 12 7.581 16.392 -24.778 1.00 0.00 O ATOM 219 CB ASN A 12 7.904 19.832 -24.993 1.00 0.00 C ATOM 220 CG ASN A 12 8.530 20.547 -23.822 1.00 0.00 C ATOM 221 OD1 ASN A 12 9.608 20.188 -23.361 1.00 0.00 O ATOM 222 ND2 ASN A 12 7.847 21.562 -23.323 1.00 0.00 N ATOM 0 H ASN A 12 6.651 19.439 -22.603 1.00 0.00 H new ATOM 0 HA ASN A 12 6.318 18.424 -25.369 1.00 0.00 H new ATOM 0 HB2 ASN A 12 8.689 19.426 -25.631 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.341 20.546 -25.595 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.213 22.080 -22.524 1.00 0.00 H new ATOM 0 HD22 ASN A 12 6.953 21.828 -23.737 1.00 0.00 H new ATOM 229 N VAL A 13 8.681 17.569 -23.206 1.00 0.00 N ATOM 230 CA VAL A 13 9.512 16.453 -22.793 1.00 0.00 C ATOM 231 C VAL A 13 8.674 15.280 -22.285 1.00 0.00 C ATOM 232 O VAL A 13 7.860 15.430 -21.370 1.00 0.00 O ATOM 233 CB VAL A 13 10.507 16.890 -21.705 1.00 0.00 C ATOM 234 CG1 VAL A 13 11.289 15.701 -21.181 1.00 0.00 C ATOM 235 CG2 VAL A 13 11.449 17.952 -22.244 1.00 0.00 C ATOM 0 H VAL A 13 8.852 18.433 -22.692 1.00 0.00 H new ATOM 0 HA VAL A 13 10.064 16.120 -23.672 1.00 0.00 H new ATOM 0 HB VAL A 13 9.942 17.316 -20.876 1.00 0.00 H new ATOM 0 HG11 VAL A 13 11.986 16.034 -20.413 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.600 14.972 -20.754 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.843 15.241 -21.999 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.147 18.250 -21.462 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.004 17.550 -23.091 1.00 0.00 H new ATOM 0 HG23 VAL A 13 10.873 18.819 -22.567 1.00 0.00 H new ATOM 245 N ALA A 14 8.889 14.124 -22.897 1.00 0.00 N ATOM 246 CA ALA A 14 8.193 12.899 -22.531 1.00 0.00 C ATOM 247 C ALA A 14 9.209 11.818 -22.169 1.00 0.00 C ATOM 248 O ALA A 14 8.963 10.619 -22.338 1.00 0.00 O ATOM 249 CB ALA A 14 7.304 12.447 -23.678 1.00 0.00 C ATOM 0 H ALA A 14 9.553 14.009 -23.663 1.00 0.00 H new ATOM 0 HA ALA A 14 7.562 13.084 -21.662 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.786 11.530 -23.397 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.572 13.224 -23.899 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.915 12.263 -24.561 1.00 0.00 H new ATOM 255 N VAL A 15 10.363 12.261 -21.685 1.00 0.00 N ATOM 256 CA VAL A 15 11.456 11.373 -21.307 1.00 0.00 C ATOM 257 C VAL A 15 12.094 11.885 -20.021 1.00 0.00 C ATOM 258 O VAL A 15 12.235 13.092 -19.835 1.00 0.00 O ATOM 259 CB VAL A 15 12.532 11.287 -22.423 1.00 0.00 C ATOM 260 CG1 VAL A 15 13.713 10.427 -21.988 1.00 0.00 C ATOM 261 CG2 VAL A 15 11.928 10.740 -23.710 1.00 0.00 C ATOM 0 H VAL A 15 10.568 13.250 -21.543 1.00 0.00 H new ATOM 0 HA VAL A 15 11.049 10.373 -21.156 1.00 0.00 H new ATOM 0 HB VAL A 15 12.898 12.297 -22.608 1.00 0.00 H new ATOM 0 HG11 VAL A 15 14.449 10.386 -22.791 1.00 0.00 H new ATOM 0 HG12 VAL A 15 14.170 10.860 -21.098 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.366 9.419 -21.763 1.00 0.00 H new ATOM 0 HG21 VAL A 15 12.698 10.687 -24.480 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.527 9.743 -23.529 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.126 11.398 -24.044 1.00 0.00 H new ATOM 271 N THR A 16 12.464 10.965 -19.140 1.00 0.00 N ATOM 272 CA THR A 16 13.023 11.318 -17.838 1.00 0.00 C ATOM 273 C THR A 16 14.340 12.083 -17.977 1.00 0.00 C ATOM 274 O THR A 16 14.853 12.245 -19.085 1.00 0.00 O ATOM 275 CB THR A 16 13.275 10.055 -16.991 1.00 0.00 C ATOM 276 OG1 THR A 16 14.273 9.237 -17.622 1.00 0.00 O ATOM 277 CG2 THR A 16 11.996 9.251 -16.821 1.00 0.00 C ATOM 0 H THR A 16 12.387 9.961 -19.304 1.00 0.00 H new ATOM 0 HA THR A 16 12.291 11.957 -17.344 1.00 0.00 H new ATOM 0 HB THR A 16 13.623 10.368 -16.007 1.00 0.00 H new ATOM 0 HG1 THR A 16 14.962 8.998 -16.967 1.00 0.00 H new ATOM 0 HG21 THR A 16 12.200 8.365 -16.220 1.00 0.00 H new ATOM 0 HG22 THR A 16 11.245 9.863 -16.322 1.00 0.00 H new ATOM 0 HG23 THR A 16 11.624 8.948 -17.800 1.00 0.00 H new ATOM 285 N VAL A 17 14.893 12.546 -16.862 1.00 0.00 N ATOM 286 CA VAL A 17 16.219 13.149 -16.874 1.00 0.00 C ATOM 287 C VAL A 17 17.245 12.131 -17.381 1.00 0.00 C ATOM 288 O VAL A 17 18.197 12.478 -18.085 1.00 0.00 O ATOM 289 CB VAL A 17 16.620 13.676 -15.473 1.00 0.00 C ATOM 290 CG1 VAL A 17 16.558 12.572 -14.426 1.00 0.00 C ATOM 291 CG2 VAL A 17 18.008 14.297 -15.500 1.00 0.00 C ATOM 0 H VAL A 17 14.447 12.516 -15.945 1.00 0.00 H new ATOM 0 HA VAL A 17 16.198 14.005 -17.548 1.00 0.00 H new ATOM 0 HB VAL A 17 15.900 14.447 -15.198 1.00 0.00 H new ATOM 0 HG11 VAL A 17 16.845 12.975 -13.455 1.00 0.00 H new ATOM 0 HG12 VAL A 17 15.542 12.180 -14.370 1.00 0.00 H new ATOM 0 HG13 VAL A 17 17.242 11.770 -14.702 1.00 0.00 H new ATOM 0 HG21 VAL A 17 18.264 14.659 -14.504 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.736 13.548 -15.812 1.00 0.00 H new ATOM 0 HG23 VAL A 17 18.020 15.130 -16.203 1.00 0.00 H new ATOM 301 N SER A 18 17.010 10.870 -17.050 1.00 0.00 N ATOM 302 CA SER A 18 17.833 9.776 -17.533 1.00 0.00 C ATOM 303 C SER A 18 17.261 9.256 -18.857 1.00 0.00 C ATOM 304 O SER A 18 16.387 9.891 -19.445 1.00 0.00 O ATOM 305 CB SER A 18 17.857 8.668 -16.483 1.00 0.00 C ATOM 306 OG SER A 18 18.106 9.197 -15.188 1.00 0.00 O ATOM 0 H SER A 18 16.245 10.579 -16.441 1.00 0.00 H new ATOM 0 HA SER A 18 18.853 10.120 -17.706 1.00 0.00 H new ATOM 0 HB2 SER A 18 16.904 8.139 -16.486 1.00 0.00 H new ATOM 0 HB3 SER A 18 18.627 7.939 -16.736 1.00 0.00 H new ATOM 0 HG SER A 18 17.615 8.673 -14.521 1.00 0.00 H new ATOM 312 N GLY A 19 17.720 8.099 -19.310 1.00 0.00 N ATOM 313 CA GLY A 19 17.286 7.586 -20.599 1.00 0.00 C ATOM 314 C GLY A 19 16.038 6.728 -20.508 1.00 0.00 C ATOM 315 O GLY A 19 15.826 5.843 -21.337 1.00 0.00 O ATOM 0 H GLY A 19 18.383 7.505 -18.812 1.00 0.00 H new ATOM 0 HA2 GLY A 19 17.096 8.423 -21.271 1.00 0.00 H new ATOM 0 HA3 GLY A 19 18.092 6.999 -21.040 1.00 0.00 H new ATOM 319 N HIS A 20 15.207 6.984 -19.510 1.00 0.00 N ATOM 320 CA HIS A 20 13.993 6.201 -19.314 1.00 0.00 C ATOM 321 C HIS A 20 12.823 6.826 -20.060 1.00 0.00 C ATOM 322 O HIS A 20 12.580 8.028 -19.952 1.00 0.00 O ATOM 323 CB HIS A 20 13.637 6.093 -17.829 1.00 0.00 C ATOM 324 CG HIS A 20 14.711 5.497 -16.976 1.00 0.00 C ATOM 325 ND1 HIS A 20 15.621 6.252 -16.263 1.00 0.00 N ATOM 326 CD2 HIS A 20 15.014 4.206 -16.715 1.00 0.00 C ATOM 327 CE1 HIS A 20 16.441 5.449 -15.610 1.00 0.00 C ATOM 328 NE2 HIS A 20 16.092 4.206 -15.869 1.00 0.00 N ATOM 0 H HIS A 20 15.349 7.725 -18.824 1.00 0.00 H new ATOM 0 HA HIS A 20 14.185 5.203 -19.707 1.00 0.00 H new ATOM 0 HB2 HIS A 20 13.401 7.088 -17.452 1.00 0.00 H new ATOM 0 HB3 HIS A 20 12.734 5.491 -17.728 1.00 0.00 H new ATOM 0 HD2 HIS A 20 14.502 3.337 -17.101 1.00 0.00 H new ATOM 0 HE1 HIS A 20 17.257 5.758 -14.974 1.00 0.00 H new ATOM 0 HE2 HIS A 20 16.552 3.374 -15.498 1.00 0.00 H new ATOM 337 N THR A 21 12.111 6.006 -20.816 1.00 0.00 N ATOM 338 CA THR A 21 10.887 6.435 -21.472 1.00 0.00 C ATOM 339 C THR A 21 9.806 6.738 -20.440 1.00 0.00 C ATOM 340 O THR A 21 9.503 5.897 -19.588 1.00 0.00 O ATOM 341 CB THR A 21 10.375 5.339 -22.427 1.00 0.00 C ATOM 342 OG1 THR A 21 11.309 5.137 -23.493 1.00 0.00 O ATOM 343 CG2 THR A 21 8.999 5.675 -22.988 1.00 0.00 C ATOM 0 H THR A 21 12.362 5.033 -20.991 1.00 0.00 H new ATOM 0 HA THR A 21 11.109 7.338 -22.041 1.00 0.00 H new ATOM 0 HB THR A 21 10.280 4.418 -21.852 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.975 4.438 -24.093 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.674 4.878 -23.656 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.287 5.775 -22.169 1.00 0.00 H new ATOM 0 HG23 THR A 21 9.051 6.613 -23.541 1.00 0.00 H new ATOM 351 N CYS A 22 9.255 7.943 -20.488 1.00 0.00 N ATOM 352 CA CYS A 22 8.128 8.280 -19.636 1.00 0.00 C ATOM 353 C CYS A 22 6.900 7.475 -20.038 1.00 0.00 C ATOM 354 O CYS A 22 6.356 7.647 -21.127 1.00 0.00 O ATOM 355 CB CYS A 22 7.811 9.775 -19.685 1.00 0.00 C ATOM 356 SG CYS A 22 8.989 10.821 -18.769 1.00 0.00 S ATOM 0 H CYS A 22 9.567 8.695 -21.102 1.00 0.00 H new ATOM 0 HA CYS A 22 8.404 8.028 -18.612 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.791 10.096 -20.726 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.811 9.936 -19.283 1.00 0.00 H new ATOM 361 N GLN A 23 6.508 6.558 -19.177 1.00 0.00 N ATOM 362 CA GLN A 23 5.264 5.827 -19.331 1.00 0.00 C ATOM 363 C GLN A 23 4.069 6.778 -19.214 1.00 0.00 C ATOM 364 O GLN A 23 4.073 7.697 -18.391 1.00 0.00 O ATOM 365 CB GLN A 23 5.188 4.750 -18.254 1.00 0.00 C ATOM 366 CG GLN A 23 3.812 4.148 -18.086 1.00 0.00 C ATOM 367 CD GLN A 23 3.412 4.072 -16.638 1.00 0.00 C ATOM 368 OE1 GLN A 23 3.676 3.089 -15.950 1.00 0.00 O ATOM 369 NE2 GLN A 23 2.793 5.127 -16.156 1.00 0.00 N ATOM 0 H GLN A 23 7.043 6.297 -18.349 1.00 0.00 H new ATOM 0 HA GLN A 23 5.234 5.363 -20.317 1.00 0.00 H new ATOM 0 HB2 GLN A 23 5.894 3.956 -18.498 1.00 0.00 H new ATOM 0 HB3 GLN A 23 5.505 5.178 -17.303 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.084 4.746 -18.634 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.796 3.149 -18.521 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.593 5.922 -16.763 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.513 5.150 -15.176 1.00 0.00 H new ATOM 378 N HIS A 24 3.051 6.536 -20.039 1.00 0.00 N ATOM 379 CA HIS A 24 1.855 7.379 -20.087 1.00 0.00 C ATOM 380 C HIS A 24 1.155 7.470 -18.736 1.00 0.00 C ATOM 381 O HIS A 24 1.106 6.506 -17.972 1.00 0.00 O ATOM 382 CB HIS A 24 0.854 6.836 -21.109 1.00 0.00 C ATOM 383 CG HIS A 24 1.314 6.924 -22.528 1.00 0.00 C ATOM 384 ND1 HIS A 24 2.074 5.952 -23.136 1.00 0.00 N ATOM 385 CD2 HIS A 24 1.105 7.876 -23.464 1.00 0.00 C ATOM 386 CE1 HIS A 24 2.313 6.304 -24.385 1.00 0.00 C ATOM 387 NE2 HIS A 24 1.735 7.470 -24.611 1.00 0.00 N ATOM 0 H HIS A 24 3.031 5.752 -20.692 1.00 0.00 H new ATOM 0 HA HIS A 24 2.194 8.374 -20.374 1.00 0.00 H new ATOM 0 HB2 HIS A 24 0.641 5.794 -20.873 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.083 7.384 -21.009 1.00 0.00 H new ATOM 0 HD2 HIS A 24 0.544 8.789 -23.332 1.00 0.00 H new ATOM 0 HE1 HIS A 24 2.885 5.734 -25.102 1.00 0.00 H new ATOM 0 HE2 HIS A 24 1.754 7.983 -25.493 1.00 0.00 H new ATOM 396 N TRP A 25 0.614 8.649 -18.456 1.00 0.00 N ATOM 397 CA TRP A 25 -0.184 8.870 -17.256 1.00 0.00 C ATOM 398 C TRP A 25 -1.491 8.097 -17.336 1.00 0.00 C ATOM 399 O TRP A 25 -2.062 7.710 -16.321 1.00 0.00 O ATOM 400 CB TRP A 25 -0.480 10.355 -17.063 1.00 0.00 C ATOM 401 CG TRP A 25 0.746 11.205 -16.981 1.00 0.00 C ATOM 402 CD1 TRP A 25 1.205 12.071 -17.929 1.00 0.00 C ATOM 403 CD2 TRP A 25 1.674 11.270 -15.894 1.00 0.00 C ATOM 404 NE1 TRP A 25 2.352 12.678 -17.492 1.00 0.00 N ATOM 405 CE2 TRP A 25 2.667 12.198 -16.249 1.00 0.00 C ATOM 406 CE3 TRP A 25 1.759 10.636 -14.653 1.00 0.00 C ATOM 407 CZ2 TRP A 25 3.735 12.504 -15.411 1.00 0.00 C ATOM 408 CZ3 TRP A 25 2.817 10.940 -13.822 1.00 0.00 C ATOM 409 CH2 TRP A 25 3.794 11.865 -14.202 1.00 0.00 C ATOM 0 H TRP A 25 0.714 9.473 -19.049 1.00 0.00 H new ATOM 0 HA TRP A 25 0.393 8.514 -16.402 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -1.099 10.704 -17.890 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -1.063 10.485 -16.151 1.00 0.00 H new ATOM 0 HD1 TRP A 25 0.733 12.252 -18.884 1.00 0.00 H new ATOM 0 HE1 TRP A 25 2.886 13.376 -18.010 1.00 0.00 H new ATOM 0 HE3 TRP A 25 1.010 9.920 -14.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 4.489 13.219 -15.704 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 2.892 10.455 -12.860 1.00 0.00 H new ATOM 0 HH2 TRP A 25 4.611 12.079 -13.529 1.00 0.00 H new ATOM 420 N SER A 26 -1.962 7.887 -18.556 1.00 0.00 N ATOM 421 CA SER A 26 -3.199 7.166 -18.795 1.00 0.00 C ATOM 422 C SER A 26 -2.977 5.660 -18.692 1.00 0.00 C ATOM 423 O SER A 26 -3.923 4.877 -18.722 1.00 0.00 O ATOM 424 CB SER A 26 -3.727 7.531 -20.180 1.00 0.00 C ATOM 425 OG SER A 26 -2.704 7.398 -21.157 1.00 0.00 O ATOM 0 H SER A 26 -1.498 8.211 -19.404 1.00 0.00 H new ATOM 0 HA SER A 26 -3.930 7.448 -18.037 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.568 6.886 -20.436 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.101 8.555 -20.174 1.00 0.00 H new ATOM 0 HG SER A 26 -3.061 7.634 -22.039 1.00 0.00 H new ATOM 431 N ALA A 27 -1.720 5.266 -18.565 1.00 0.00 N ATOM 432 CA ALA A 27 -1.356 3.865 -18.499 1.00 0.00 C ATOM 433 C ALA A 27 -1.041 3.458 -17.071 1.00 0.00 C ATOM 434 O ALA A 27 -0.216 4.080 -16.409 1.00 0.00 O ATOM 435 CB ALA A 27 -0.155 3.596 -19.394 1.00 0.00 C ATOM 0 H ALA A 27 -0.929 5.907 -18.505 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.202 3.273 -18.847 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.111 2.541 -19.338 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.404 3.853 -20.424 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.689 4.201 -19.062 1.00 0.00 H new ATOM 441 N GLN A 28 -1.716 2.428 -16.594 1.00 0.00 N ATOM 442 CA GLN A 28 -1.399 1.840 -15.302 1.00 0.00 C ATOM 443 C GLN A 28 -0.422 0.684 -15.501 1.00 0.00 C ATOM 444 O GLN A 28 -0.268 -0.192 -14.651 1.00 0.00 O ATOM 445 CB GLN A 28 -2.672 1.370 -14.597 1.00 0.00 C ATOM 446 CG GLN A 28 -3.585 2.508 -14.160 1.00 0.00 C ATOM 447 CD GLN A 28 -3.039 3.236 -12.962 1.00 0.00 C ATOM 448 OE1 GLN A 28 -3.373 2.931 -11.817 1.00 0.00 O ATOM 449 NE2 GLN A 28 -2.158 4.179 -13.216 1.00 0.00 N ATOM 0 H GLN A 28 -2.490 1.979 -17.083 1.00 0.00 H new ATOM 0 HA GLN A 28 -0.931 2.592 -14.667 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.224 0.709 -15.265 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.396 0.781 -13.722 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.711 3.209 -14.985 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.573 2.111 -13.925 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -1.910 4.399 -14.181 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.722 4.690 -12.448 1.00 0.00 H new ATOM 458 N THR A 29 0.217 0.700 -16.659 1.00 0.00 N ATOM 459 CA THR A 29 1.254 -0.251 -17.013 1.00 0.00 C ATOM 460 C THR A 29 2.347 0.494 -17.778 1.00 0.00 C ATOM 461 O THR A 29 2.031 1.348 -18.608 1.00 0.00 O ATOM 462 CB THR A 29 0.683 -1.386 -17.892 1.00 0.00 C ATOM 463 OG1 THR A 29 -0.449 -1.982 -17.241 1.00 0.00 O ATOM 464 CG2 THR A 29 1.729 -2.455 -18.172 1.00 0.00 C ATOM 0 H THR A 29 0.026 1.385 -17.390 1.00 0.00 H new ATOM 0 HA THR A 29 1.659 -0.700 -16.106 1.00 0.00 H new ATOM 0 HB THR A 29 0.378 -0.951 -18.844 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.809 -2.700 -17.803 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.292 -3.237 -18.793 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.575 -2.008 -18.693 1.00 0.00 H new ATOM 0 HG23 THR A 29 2.069 -2.886 -17.231 1.00 0.00 H new ATOM 472 N PRO A 30 3.640 0.220 -17.523 1.00 0.00 N ATOM 473 CA PRO A 30 4.110 -0.783 -16.549 1.00 0.00 C ATOM 474 C PRO A 30 3.690 -0.513 -15.097 1.00 0.00 C ATOM 475 O PRO A 30 3.206 -1.413 -14.412 1.00 0.00 O ATOM 476 CB PRO A 30 5.642 -0.716 -16.673 1.00 0.00 C ATOM 477 CG PRO A 30 5.939 0.574 -17.363 1.00 0.00 C ATOM 478 CD PRO A 30 4.759 0.858 -18.234 1.00 0.00 C ATOM 0 HA PRO A 30 3.673 -1.757 -16.771 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.116 -0.753 -15.692 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.025 -1.562 -17.244 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.093 1.376 -16.641 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.851 0.499 -17.955 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.598 1.929 -18.354 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.889 0.441 -19.233 1.00 0.00 H new ATOM 486 N HIS A 31 3.854 0.720 -14.636 1.00 0.00 N ATOM 487 CA HIS A 31 3.691 1.031 -13.216 1.00 0.00 C ATOM 488 C HIS A 31 2.257 1.431 -12.860 1.00 0.00 C ATOM 489 O HIS A 31 1.667 2.311 -13.491 1.00 0.00 O ATOM 490 CB HIS A 31 4.669 2.134 -12.801 1.00 0.00 C ATOM 491 CG HIS A 31 6.084 1.653 -12.658 1.00 0.00 C ATOM 492 ND1 HIS A 31 7.035 1.764 -13.655 1.00 0.00 N ATOM 493 CD2 HIS A 31 6.708 1.049 -11.618 1.00 0.00 C ATOM 494 CE1 HIS A 31 8.176 1.249 -13.230 1.00 0.00 C ATOM 495 NE2 HIS A 31 8.004 0.810 -11.998 1.00 0.00 N ATOM 0 H HIS A 31 4.099 1.520 -15.219 1.00 0.00 H new ATOM 0 HA HIS A 31 3.913 0.119 -12.662 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.638 2.934 -13.541 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.341 2.563 -11.854 1.00 0.00 H new ATOM 0 HD1 HIS A 31 6.881 2.178 -14.574 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.266 0.801 -10.664 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.094 1.197 -13.796 1.00 0.00 H new ATOM 504 N THR A 32 1.719 0.789 -11.825 1.00 0.00 N ATOM 505 CA THR A 32 0.372 1.069 -11.328 1.00 0.00 C ATOM 506 C THR A 32 0.362 2.314 -10.444 1.00 0.00 C ATOM 507 O THR A 32 0.345 2.236 -9.215 1.00 0.00 O ATOM 508 CB THR A 32 -0.166 -0.139 -10.543 1.00 0.00 C ATOM 509 OG1 THR A 32 0.856 -0.640 -9.671 1.00 0.00 O ATOM 510 CG2 THR A 32 -0.614 -1.244 -11.486 1.00 0.00 C ATOM 0 H THR A 32 2.205 0.058 -11.306 1.00 0.00 H new ATOM 0 HA THR A 32 -0.274 1.254 -12.186 1.00 0.00 H new ATOM 0 HB THR A 32 -1.026 0.187 -9.958 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.169 0.081 -9.086 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.990 -2.087 -10.906 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.404 -0.869 -12.136 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.231 -1.569 -12.093 1.00 0.00 H new ATOM 518 N HIS A 33 0.408 3.464 -11.087 1.00 0.00 N ATOM 519 CA HIS A 33 0.521 4.741 -10.384 1.00 0.00 C ATOM 520 C HIS A 33 -0.838 5.382 -10.150 1.00 0.00 C ATOM 521 O HIS A 33 -1.686 5.369 -11.023 1.00 0.00 O ATOM 522 CB HIS A 33 1.402 5.699 -11.173 1.00 0.00 C ATOM 523 CG HIS A 33 0.893 5.973 -12.554 1.00 0.00 C ATOM 524 ND1 HIS A 33 0.211 7.117 -12.893 1.00 0.00 N ATOM 525 CD2 HIS A 33 0.957 5.232 -13.681 1.00 0.00 C ATOM 526 CE1 HIS A 33 -0.125 7.065 -14.163 1.00 0.00 C ATOM 527 NE2 HIS A 33 0.318 5.935 -14.666 1.00 0.00 N ATOM 0 H HIS A 33 0.369 3.547 -12.103 1.00 0.00 H new ATOM 0 HA HIS A 33 0.972 4.537 -9.413 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.481 6.640 -10.629 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.408 5.285 -11.240 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.425 4.264 -13.786 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.673 7.824 -14.702 1.00 0.00 H new ATOM 0 HE2 HIS A 33 0.204 5.631 -15.633 1.00 0.00 H new ATOM 536 N ASN A 34 -1.026 5.998 -9.006 1.00 0.00 N ATOM 537 CA ASN A 34 -2.278 6.698 -8.741 1.00 0.00 C ATOM 538 C ASN A 34 -2.187 8.176 -9.116 1.00 0.00 C ATOM 539 O ASN A 34 -2.955 9.001 -8.631 1.00 0.00 O ATOM 540 CB ASN A 34 -2.706 6.538 -7.286 1.00 0.00 C ATOM 541 CG ASN A 34 -1.558 6.703 -6.321 1.00 0.00 C ATOM 542 OD1 ASN A 34 -1.255 7.809 -5.879 1.00 0.00 O ATOM 543 ND2 ASN A 34 -0.915 5.594 -5.988 1.00 0.00 N ATOM 0 H ASN A 34 -0.344 6.034 -8.249 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.040 6.240 -9.371 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.478 7.272 -7.055 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.152 5.553 -7.149 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.130 5.635 -5.338 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -1.204 4.699 -6.382 1.00 0.00 H new ATOM 550 N ARG A 36 -1.231 8.511 -9.975 1.00 0.00 N ATOM 551 CA ARG A 36 -1.185 9.842 -10.574 1.00 0.00 C ATOM 552 C ARG A 36 -1.597 9.754 -12.034 1.00 0.00 C ATOM 553 O ARG A 36 -0.751 9.694 -12.923 1.00 0.00 O ATOM 554 CB ARG A 36 0.208 10.493 -10.468 1.00 0.00 C ATOM 555 CG ARG A 36 0.605 10.933 -9.063 1.00 0.00 C ATOM 556 CD ARG A 36 1.127 9.771 -8.236 1.00 0.00 C ATOM 557 NE ARG A 36 1.324 10.129 -6.832 1.00 0.00 N ATOM 558 CZ ARG A 36 1.646 9.257 -5.874 1.00 0.00 C ATOM 559 NH1 ARG A 36 1.856 7.981 -6.170 1.00 0.00 N1+ ATOM 560 NH2 ARG A 36 1.780 9.672 -4.624 1.00 0.00 N ATOM 0 H ARG A 36 -0.482 7.885 -10.271 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.879 10.473 -10.018 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.952 9.787 -10.836 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.239 11.361 -11.127 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.370 11.707 -9.127 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.256 11.377 -8.564 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.426 8.939 -8.301 1.00 0.00 H new ATOM 0 HD3 ARG A 36 2.072 9.425 -8.656 1.00 0.00 H new ATOM 0 HE ARG A 36 1.208 11.107 -6.568 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.772 7.661 -7.135 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.102 7.320 -5.433 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.637 10.656 -4.395 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.026 9.008 -3.890 1.00 0.00 H new ATOM 574 N THR A 37 -2.896 9.724 -12.263 1.00 0.00 N ATOM 575 CA THR A 37 -3.451 9.601 -13.600 1.00 0.00 C ATOM 576 C THR A 37 -4.279 10.841 -13.913 1.00 0.00 C ATOM 577 O THR A 37 -4.638 11.579 -12.998 1.00 0.00 O ATOM 578 CB THR A 37 -4.347 8.345 -13.709 1.00 0.00 C ATOM 579 OG1 THR A 37 -5.361 8.402 -12.699 1.00 0.00 O ATOM 580 CG2 THR A 37 -3.525 7.072 -13.542 1.00 0.00 C ATOM 0 H THR A 37 -3.599 9.784 -11.526 1.00 0.00 H new ATOM 0 HA THR A 37 -2.632 9.505 -14.313 1.00 0.00 H new ATOM 0 HB THR A 37 -4.806 8.326 -14.698 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.933 7.609 -12.765 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.179 6.204 -13.623 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.763 7.026 -14.320 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.045 7.075 -12.564 1.00 0.00 H new ATOM 588 N PRO A 38 -4.582 11.114 -15.189 1.00 0.00 N ATOM 589 CA PRO A 38 -5.448 12.236 -15.556 1.00 0.00 C ATOM 590 C PRO A 38 -6.843 12.092 -14.950 1.00 0.00 C ATOM 591 O PRO A 38 -7.584 13.066 -14.830 1.00 0.00 O ATOM 592 CB PRO A 38 -5.501 12.195 -17.086 1.00 0.00 C ATOM 593 CG PRO A 38 -4.919 10.880 -17.495 1.00 0.00 C ATOM 594 CD PRO A 38 -4.075 10.388 -16.361 1.00 0.00 C ATOM 0 HA PRO A 38 -5.067 13.185 -15.180 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.527 12.293 -17.442 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.934 13.021 -17.516 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.710 10.165 -17.722 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.320 10.991 -18.399 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.170 9.310 -16.233 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.019 10.596 -16.532 1.00 0.00 H new ATOM 602 N GLU A 39 -7.175 10.868 -14.551 1.00 0.00 N ATOM 603 CA GLU A 39 -8.426 10.583 -13.863 1.00 0.00 C ATOM 604 C GLU A 39 -8.339 11.013 -12.403 1.00 0.00 C ATOM 605 O GLU A 39 -9.355 11.194 -11.731 1.00 0.00 O ATOM 606 CB GLU A 39 -8.728 9.085 -13.934 1.00 0.00 C ATOM 607 CG GLU A 39 -8.844 8.548 -15.345 1.00 0.00 C ATOM 608 CD GLU A 39 -8.942 7.039 -15.381 1.00 0.00 C ATOM 609 OE1 GLU A 39 -9.939 6.484 -14.878 1.00 0.00 O ATOM 610 OE2 GLU A 39 -8.016 6.394 -15.912 1.00 0.00 O1- ATOM 0 H GLU A 39 -6.585 10.049 -14.696 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.225 11.141 -14.351 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.941 8.541 -13.412 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.659 8.887 -13.403 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.724 8.978 -15.823 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.978 8.867 -15.925 1.00 0.00 H new ATOM 617 N ASN A 40 -7.113 11.165 -11.924 1.00 0.00 N ATOM 618 CA ASN A 40 -6.857 11.497 -10.526 1.00 0.00 C ATOM 619 C ASN A 40 -6.395 12.935 -10.369 1.00 0.00 C ATOM 620 O ASN A 40 -6.672 13.583 -9.360 1.00 0.00 O ATOM 621 CB ASN A 40 -5.799 10.550 -9.948 1.00 0.00 C ATOM 622 CG ASN A 40 -6.386 9.267 -9.389 1.00 0.00 C ATOM 623 OD1 ASN A 40 -7.433 8.796 -9.831 1.00 0.00 O ATOM 624 ND2 ASN A 40 -5.698 8.680 -8.422 1.00 0.00 N ATOM 0 H ASN A 40 -6.270 11.063 -12.489 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.793 11.381 -9.980 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -5.078 10.303 -10.727 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -5.252 11.065 -9.159 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.032 7.806 -8.017 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -4.834 9.102 -8.082 1.00 0.00 H new ATOM 631 N PHE A 41 -5.703 13.431 -11.375 1.00 0.00 N ATOM 632 CA PHE A 41 -5.151 14.775 -11.342 1.00 0.00 C ATOM 633 C PHE A 41 -5.455 15.498 -12.647 1.00 0.00 C ATOM 634 O PHE A 41 -4.556 15.771 -13.444 1.00 0.00 O ATOM 635 CB PHE A 41 -3.638 14.725 -11.108 1.00 0.00 C ATOM 636 CG PHE A 41 -3.249 14.198 -9.758 1.00 0.00 C ATOM 637 CD1 PHE A 41 -3.056 12.841 -9.559 1.00 0.00 C ATOM 638 CD2 PHE A 41 -3.075 15.061 -8.688 1.00 0.00 C ATOM 639 CE1 PHE A 41 -2.696 12.353 -8.318 1.00 0.00 C ATOM 640 CE2 PHE A 41 -2.715 14.578 -7.445 1.00 0.00 C ATOM 641 CZ PHE A 41 -2.525 13.222 -7.260 1.00 0.00 C ATOM 0 H PHE A 41 -5.507 12.919 -12.235 1.00 0.00 H new ATOM 0 HA PHE A 41 -5.613 15.321 -10.519 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.182 14.101 -11.876 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.228 15.728 -11.228 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.189 12.156 -10.384 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.222 16.122 -8.827 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.549 11.293 -8.176 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.582 15.260 -6.618 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.243 12.843 -6.289 1.00 0.00 H new ATOM 651 N PRO A 42 -6.737 15.808 -12.889 1.00 0.00 N ATOM 652 CA PRO A 42 -7.165 16.465 -14.123 1.00 0.00 C ATOM 653 C PRO A 42 -6.531 17.844 -14.296 1.00 0.00 C ATOM 654 O PRO A 42 -6.045 18.188 -15.375 1.00 0.00 O ATOM 655 CB PRO A 42 -8.689 16.589 -13.969 1.00 0.00 C ATOM 656 CG PRO A 42 -9.056 15.607 -12.909 1.00 0.00 C ATOM 657 CD PRO A 42 -7.872 15.532 -11.991 1.00 0.00 C ATOM 0 HA PRO A 42 -6.864 15.899 -15.004 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -8.975 17.601 -13.684 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.199 16.366 -14.906 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -9.948 15.928 -12.371 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.278 14.631 -13.341 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -7.938 16.265 -11.187 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -7.786 14.552 -11.522 1.00 0.00 H new ATOM 665 N SER A 43 -6.486 18.606 -13.213 1.00 0.00 N ATOM 666 CA SER A 43 -5.987 19.973 -13.254 1.00 0.00 C ATOM 667 C SER A 43 -4.463 20.007 -13.131 1.00 0.00 C ATOM 668 O SER A 43 -3.865 21.061 -12.915 1.00 0.00 O ATOM 669 CB SER A 43 -6.629 20.794 -12.137 1.00 0.00 C ATOM 670 OG SER A 43 -8.044 20.729 -12.212 1.00 0.00 O ATOM 0 H SER A 43 -6.791 18.298 -12.290 1.00 0.00 H new ATOM 0 HA SER A 43 -6.255 20.408 -14.217 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.294 20.422 -11.168 1.00 0.00 H new ATOM 0 HB3 SER A 43 -6.304 21.832 -12.210 1.00 0.00 H new ATOM 0 HG SER A 43 -8.435 21.260 -11.487 1.00 0.00 H new ATOM 676 N LYS A 44 -3.843 18.843 -13.263 1.00 0.00 N ATOM 677 CA LYS A 44 -2.391 18.741 -13.255 1.00 0.00 C ATOM 678 C LYS A 44 -1.909 18.470 -14.667 1.00 0.00 C ATOM 679 O LYS A 44 -0.711 18.411 -14.945 1.00 0.00 O ATOM 680 CB LYS A 44 -1.927 17.634 -12.307 1.00 0.00 C ATOM 681 CG LYS A 44 -2.215 17.921 -10.843 1.00 0.00 C ATOM 682 CD LYS A 44 -1.281 18.981 -10.288 1.00 0.00 C ATOM 683 CE LYS A 44 -1.569 19.253 -8.823 1.00 0.00 C ATOM 684 NZ LYS A 44 -0.511 20.085 -8.191 1.00 0.00 N1+ ATOM 0 H LYS A 44 -4.326 17.952 -13.377 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.967 19.679 -12.898 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.414 16.700 -12.587 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.855 17.485 -12.434 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.248 18.251 -10.733 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.110 17.003 -10.264 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.247 18.655 -10.404 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.391 19.902 -10.860 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.531 19.758 -8.731 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.653 18.307 -8.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.730 20.218 -7.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.408 19.608 -8.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.470 21.011 -8.662 1.00 0.00 H new ATOM 698 N ASN A 45 -2.899 18.294 -15.542 1.00 0.00 N ATOM 699 CA ASN A 45 -2.701 18.160 -16.978 1.00 0.00 C ATOM 700 C ASN A 45 -1.847 16.948 -17.326 1.00 0.00 C ATOM 701 O ASN A 45 -0.837 17.058 -18.003 1.00 0.00 O ATOM 702 CB ASN A 45 -2.102 19.446 -17.571 1.00 0.00 C ATOM 703 CG ASN A 45 -2.973 20.667 -17.313 1.00 0.00 C ATOM 704 OD1 ASN A 45 -2.494 21.799 -17.348 1.00 0.00 O ATOM 705 ND2 ASN A 45 -4.247 20.444 -17.017 1.00 0.00 N ATOM 0 H ASN A 45 -3.879 18.240 -15.263 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.682 18.000 -17.426 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.113 19.613 -17.145 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.969 19.319 -18.645 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.867 21.227 -16.808 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.607 19.490 -16.998 1.00 0.00 H new ATOM 712 N LEU A 46 -2.286 15.780 -16.895 1.00 0.00 N ATOM 713 CA LEU A 46 -1.579 14.540 -17.195 1.00 0.00 C ATOM 714 C LEU A 46 -1.859 14.105 -18.631 1.00 0.00 C ATOM 715 O LEU A 46 -2.643 13.190 -18.892 1.00 0.00 O ATOM 716 CB LEU A 46 -1.984 13.457 -16.191 1.00 0.00 C ATOM 717 CG LEU A 46 -1.033 13.272 -14.994 1.00 0.00 C ATOM 718 CD1 LEU A 46 -0.160 14.499 -14.771 1.00 0.00 C ATOM 719 CD2 LEU A 46 -1.815 12.959 -13.724 1.00 0.00 C ATOM 0 H LEU A 46 -3.130 15.660 -16.335 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.505 14.704 -17.103 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.978 13.693 -15.810 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.063 12.507 -16.720 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.382 12.430 -15.231 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.496 14.328 -13.918 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.442 14.684 -15.661 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.792 15.365 -14.575 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.122 12.832 -12.892 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.498 13.780 -13.506 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.385 12.040 -13.865 1.00 0.00 H new ATOM 731 N ASP A 47 -1.215 14.807 -19.556 1.00 0.00 N ATOM 732 CA ASP A 47 -1.346 14.560 -20.981 1.00 0.00 C ATOM 733 C ASP A 47 -0.305 13.560 -21.448 1.00 0.00 C ATOM 734 O ASP A 47 0.889 13.747 -21.202 1.00 0.00 O ATOM 735 CB ASP A 47 -1.156 15.864 -21.759 1.00 0.00 C ATOM 736 CG ASP A 47 -2.208 16.905 -21.453 1.00 0.00 C ATOM 737 OD1 ASP A 47 -3.341 16.787 -21.969 1.00 0.00 O1- ATOM 738 OD2 ASP A 47 -1.904 17.855 -20.702 1.00 0.00 O1- ATOM 0 H ASP A 47 -0.580 15.573 -19.331 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.343 14.158 -21.164 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -0.172 16.274 -21.531 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -1.171 15.647 -22.827 1.00 0.00 H new ATOM 743 N GLU A 48 -0.771 12.510 -22.113 1.00 0.00 N ATOM 744 CA GLU A 48 0.102 11.507 -22.712 1.00 0.00 C ATOM 745 C GLU A 48 1.058 10.911 -21.689 1.00 0.00 C ATOM 746 O GLU A 48 0.680 10.075 -20.870 1.00 0.00 O ATOM 747 CB GLU A 48 0.910 12.102 -23.876 1.00 0.00 C ATOM 748 CG GLU A 48 0.149 12.253 -25.187 1.00 0.00 C ATOM 749 CD GLU A 48 -1.193 12.939 -25.038 1.00 0.00 C ATOM 750 OE1 GLU A 48 -1.225 14.166 -24.824 1.00 0.00 O ATOM 751 OE2 GLU A 48 -2.228 12.246 -25.149 1.00 0.00 O1- ATOM 0 H GLU A 48 -1.765 12.329 -22.253 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.543 10.714 -23.090 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.281 13.082 -23.575 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.781 11.471 -24.051 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.761 12.820 -25.888 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.004 11.266 -25.623 1.00 0.00 H new ATOM 758 N ASN A 49 2.297 11.369 -21.745 1.00 0.00 N ATOM 759 CA ASN A 49 3.350 10.889 -20.874 1.00 0.00 C ATOM 760 C ASN A 49 4.337 12.008 -20.583 1.00 0.00 C ATOM 761 O ASN A 49 5.439 11.770 -20.091 1.00 0.00 O ATOM 762 CB ASN A 49 4.068 9.706 -21.526 1.00 0.00 C ATOM 763 CG ASN A 49 4.723 10.057 -22.855 1.00 0.00 C ATOM 764 OD1 ASN A 49 4.255 10.920 -23.597 1.00 0.00 O ATOM 765 ND2 ASN A 49 5.811 9.378 -23.168 1.00 0.00 N ATOM 0 H ASN A 49 2.600 12.089 -22.401 1.00 0.00 H new ATOM 0 HA ASN A 49 2.910 10.558 -19.933 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.829 9.330 -20.842 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.353 8.898 -21.683 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.291 9.562 -24.049 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.171 8.669 -22.529 1.00 0.00 H new ATOM 772 N TYR A 50 3.927 13.229 -20.907 1.00 0.00 N ATOM 773 CA TYR A 50 4.753 14.414 -20.688 1.00 0.00 C ATOM 774 C TYR A 50 5.183 14.507 -19.233 1.00 0.00 C ATOM 775 O TYR A 50 4.417 14.167 -18.335 1.00 0.00 O ATOM 776 CB TYR A 50 3.985 15.685 -21.050 1.00 0.00 C ATOM 777 CG TYR A 50 3.329 15.668 -22.412 1.00 0.00 C ATOM 778 CD1 TYR A 50 3.743 14.786 -23.402 1.00 0.00 C ATOM 779 CD2 TYR A 50 2.292 16.544 -22.704 1.00 0.00 C ATOM 780 CE1 TYR A 50 3.140 14.778 -24.647 1.00 0.00 C ATOM 781 CE2 TYR A 50 1.684 16.542 -23.943 1.00 0.00 C ATOM 782 CZ TYR A 50 2.111 15.659 -24.911 1.00 0.00 C ATOM 783 OH TYR A 50 1.507 15.660 -26.148 1.00 0.00 O ATOM 0 H TYR A 50 3.018 13.427 -21.326 1.00 0.00 H new ATOM 0 HA TYR A 50 5.632 14.323 -21.327 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.217 15.855 -20.295 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.670 16.531 -21.004 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.548 14.096 -23.197 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.955 17.239 -21.949 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.472 14.087 -25.407 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.878 17.229 -24.153 1.00 0.00 H new ATOM 0 HH TYR A 50 0.801 16.340 -26.167 1.00 0.00 H new ATOM 793 N CYS A 51 6.407 14.966 -19.011 1.00 0.00 N ATOM 794 CA CYS A 51 6.922 15.164 -17.661 1.00 0.00 C ATOM 795 C CYS A 51 6.125 16.228 -16.915 1.00 0.00 C ATOM 796 O CYS A 51 6.487 17.405 -16.915 1.00 0.00 O ATOM 797 CB CYS A 51 8.383 15.589 -17.700 1.00 0.00 C ATOM 798 SG CYS A 51 9.549 14.308 -18.247 1.00 0.00 S ATOM 0 H CYS A 51 7.065 15.209 -19.751 1.00 0.00 H new ATOM 0 HA CYS A 51 6.827 14.212 -17.138 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.477 16.449 -18.363 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.675 15.921 -16.704 1.00 0.00 H new ATOM 803 N ARG A 52 5.045 15.810 -16.289 1.00 0.00 N ATOM 804 CA ARG A 52 4.220 16.706 -15.507 1.00 0.00 C ATOM 805 C ARG A 52 4.634 16.643 -14.049 1.00 0.00 C ATOM 806 O ARG A 52 5.578 15.937 -13.690 1.00 0.00 O ATOM 807 CB ARG A 52 2.747 16.324 -15.640 1.00 0.00 C ATOM 808 CG ARG A 52 2.177 16.493 -17.043 1.00 0.00 C ATOM 809 CD ARG A 52 2.277 17.926 -17.556 1.00 0.00 C ATOM 810 NE ARG A 52 1.370 18.142 -18.686 1.00 0.00 N ATOM 811 CZ ARG A 52 1.398 19.181 -19.515 1.00 0.00 C ATOM 812 NH1 ARG A 52 2.323 20.118 -19.391 1.00 0.00 N1+ ATOM 813 NH2 ARG A 52 0.469 19.292 -20.460 1.00 0.00 N ATOM 0 H ARG A 52 4.716 14.845 -16.308 1.00 0.00 H new ATOM 0 HA ARG A 52 4.355 17.721 -15.879 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.625 15.285 -15.334 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.163 16.931 -14.948 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.707 15.830 -17.727 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.132 16.184 -17.045 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.035 18.622 -16.752 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.302 18.136 -17.862 1.00 0.00 H new ATOM 0 HE ARG A 52 0.655 17.434 -18.851 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.024 20.048 -18.654 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.335 20.911 -20.033 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.259 18.583 -20.545 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.484 20.087 -21.099 1.00 0.00 H new ATOM 827 N ASN A 53 3.936 17.383 -13.214 1.00 0.00 N ATOM 828 CA ASN A 53 4.148 17.300 -11.780 1.00 0.00 C ATOM 829 C ASN A 53 2.794 17.233 -11.067 1.00 0.00 C ATOM 830 O ASN A 53 2.363 18.194 -10.425 1.00 0.00 O ATOM 831 CB ASN A 53 4.964 18.498 -11.289 1.00 0.00 C ATOM 832 CG ASN A 53 5.423 18.351 -9.852 1.00 0.00 C ATOM 833 OD1 ASN A 53 4.946 17.487 -9.116 1.00 0.00 O ATOM 834 ND2 ASN A 53 6.348 19.206 -9.440 1.00 0.00 N ATOM 0 H ASN A 53 3.218 18.048 -13.500 1.00 0.00 H new ATOM 0 HA ASN A 53 4.712 16.396 -11.551 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.835 18.626 -11.932 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.363 19.403 -11.382 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.691 19.163 -8.480 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.717 19.907 -10.083 1.00 0.00 H new ATOM 841 N PRO A 54 2.098 16.088 -11.193 1.00 0.00 N ATOM 842 CA PRO A 54 0.778 15.892 -10.588 1.00 0.00 C ATOM 843 C PRO A 54 0.823 15.803 -9.064 1.00 0.00 C ATOM 844 O PRO A 54 0.148 16.565 -8.375 1.00 0.00 O ATOM 845 CB PRO A 54 0.292 14.569 -11.186 1.00 0.00 C ATOM 846 CG PRO A 54 1.523 13.853 -11.630 1.00 0.00 C ATOM 847 CD PRO A 54 2.539 14.910 -11.963 1.00 0.00 C ATOM 0 HA PRO A 54 0.121 16.737 -10.796 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.257 13.984 -10.448 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.384 14.742 -12.023 1.00 0.00 H new ATOM 0 HG2 PRO A 54 1.893 13.194 -10.844 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.316 13.228 -12.498 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.544 14.601 -11.677 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.561 15.118 -13.033 1.00 0.00 H new ATOM 855 N ASP A 55 1.619 14.872 -8.548 1.00 0.00 N ATOM 856 CA ASP A 55 1.709 14.643 -7.108 1.00 0.00 C ATOM 857 C ASP A 55 2.211 15.884 -6.368 1.00 0.00 C ATOM 858 O ASP A 55 1.828 16.138 -5.228 1.00 0.00 O ATOM 859 CB ASP A 55 2.624 13.454 -6.813 1.00 0.00 C ATOM 860 CG ASP A 55 2.626 13.078 -5.346 1.00 0.00 C ATOM 861 OD1 ASP A 55 1.688 12.376 -4.909 1.00 0.00 O1- ATOM 862 OD2 ASP A 55 3.569 13.466 -4.632 1.00 0.00 O1- ATOM 0 H ASP A 55 2.214 14.261 -9.107 1.00 0.00 H new ATOM 0 HA ASP A 55 0.704 14.422 -6.749 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.303 12.597 -7.405 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.640 13.695 -7.125 1.00 0.00 H new ATOM 867 N GLY A 56 3.060 16.662 -7.032 1.00 0.00 N ATOM 868 CA GLY A 56 3.573 17.882 -6.438 1.00 0.00 C ATOM 869 C GLY A 56 4.944 17.700 -5.829 1.00 0.00 C ATOM 870 O GLY A 56 5.122 17.848 -4.619 1.00 0.00 O ATOM 0 H GLY A 56 3.402 16.468 -7.973 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.618 18.661 -7.199 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.881 18.227 -5.670 1.00 0.00 H new ATOM 874 N LYS A 57 5.913 17.378 -6.669 1.00 0.00 N ATOM 875 CA LYS A 57 7.291 17.233 -6.237 1.00 0.00 C ATOM 876 C LYS A 57 8.056 18.523 -6.485 1.00 0.00 C ATOM 877 O LYS A 57 7.470 19.526 -6.889 1.00 0.00 O ATOM 878 CB LYS A 57 7.968 16.074 -6.969 1.00 0.00 C ATOM 879 CG LYS A 57 7.331 14.724 -6.690 1.00 0.00 C ATOM 880 CD LYS A 57 7.277 14.433 -5.196 1.00 0.00 C ATOM 881 CE LYS A 57 6.585 13.112 -4.899 1.00 0.00 C ATOM 882 NZ LYS A 57 7.391 11.948 -5.345 1.00 0.00 N1+ ATOM 0 H LYS A 57 5.767 17.211 -7.665 1.00 0.00 H new ATOM 0 HA LYS A 57 7.295 17.016 -5.169 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.938 16.266 -8.042 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.019 16.037 -6.681 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.322 14.704 -7.103 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.898 13.941 -7.194 1.00 0.00 H new ATOM 0 HD2 LYS A 57 8.290 14.410 -4.794 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.750 15.241 -4.688 1.00 0.00 H new ATOM 0 HE2 LYS A 57 6.398 13.034 -3.828 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.614 13.092 -5.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.827 11.363 -5.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.244 12.284 -5.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.668 11.380 -4.519 1.00 0.00 H new ATOM 896 N ARG A 59 9.357 18.495 -6.257 1.00 0.00 N ATOM 897 CA ARG A 59 10.191 19.672 -6.440 1.00 0.00 C ATOM 898 C ARG A 59 10.404 19.975 -7.922 1.00 0.00 C ATOM 899 O ARG A 59 10.742 21.100 -8.291 1.00 0.00 O ATOM 900 CB ARG A 59 11.540 19.455 -5.756 1.00 0.00 C ATOM 901 CG ARG A 59 12.361 18.348 -6.389 1.00 0.00 C ATOM 902 CD ARG A 59 13.616 18.047 -5.585 1.00 0.00 C ATOM 903 NE ARG A 59 14.562 17.223 -6.339 1.00 0.00 N ATOM 904 CZ ARG A 59 15.429 16.374 -5.786 1.00 0.00 C ATOM 905 NH1 ARG A 59 15.440 16.179 -4.474 1.00 0.00 N1+ ATOM 906 NH2 ARG A 59 16.278 15.704 -6.553 1.00 0.00 N ATOM 0 H ARG A 59 9.862 17.666 -5.943 1.00 0.00 H new ATOM 0 HA ARG A 59 9.683 20.525 -5.991 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.109 20.384 -5.788 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.373 19.219 -4.705 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.755 17.446 -6.468 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.639 18.636 -7.403 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.097 18.982 -5.299 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.342 17.534 -4.663 1.00 0.00 H new ATOM 0 HE ARG A 59 14.558 17.304 -7.356 1.00 0.00 H new ATOM 0 HH11 ARG A 59 14.781 16.681 -3.878 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.107 15.527 -4.061 1.00 0.00 H new ATOM 0 HH21 ARG A 59 16.267 15.838 -7.564 1.00 0.00 H new ATOM 0 HH22 ARG A 59 16.942 15.054 -6.132 1.00 0.00 H new ATOM 920 N ALA A 60 10.197 18.973 -8.763 1.00 0.00 N ATOM 921 CA ALA A 60 10.452 19.101 -10.188 1.00 0.00 C ATOM 922 C ALA A 60 9.557 18.147 -10.973 1.00 0.00 C ATOM 923 O ALA A 60 8.971 17.234 -10.386 1.00 0.00 O ATOM 924 CB ALA A 60 11.922 18.813 -10.477 1.00 0.00 C ATOM 0 H ALA A 60 9.851 18.056 -8.480 1.00 0.00 H new ATOM 0 HA ALA A 60 10.224 20.120 -10.500 1.00 0.00 H new ATOM 0 HB1 ALA A 60 12.108 18.910 -11.547 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.546 19.523 -9.934 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.164 17.799 -10.157 1.00 0.00 H new ATOM 930 N PRO A 61 9.426 18.358 -12.297 1.00 0.00 N ATOM 931 CA PRO A 61 8.684 17.454 -13.181 1.00 0.00 C ATOM 932 C PRO A 61 9.177 16.023 -13.054 1.00 0.00 C ATOM 933 O PRO A 61 10.384 15.778 -12.968 1.00 0.00 O ATOM 934 CB PRO A 61 8.990 17.987 -14.581 1.00 0.00 C ATOM 935 CG PRO A 61 9.293 19.418 -14.371 1.00 0.00 C ATOM 936 CD PRO A 61 9.982 19.501 -13.039 1.00 0.00 C ATOM 0 HA PRO A 61 7.620 17.430 -12.945 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.834 17.464 -15.030 1.00 0.00 H new ATOM 0 HB3 PRO A 61 8.140 17.855 -15.251 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.932 19.803 -15.166 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.381 20.015 -14.377 1.00 0.00 H new ATOM 0 HD2 PRO A 61 11.065 19.426 -13.141 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.774 20.446 -12.537 1.00 0.00 H new ATOM 944 N TRP A 62 8.252 15.089 -13.049 1.00 0.00 N ATOM 945 CA TRP A 62 8.596 13.698 -12.879 1.00 0.00 C ATOM 946 C TRP A 62 7.610 12.818 -13.625 1.00 0.00 C ATOM 947 O TRP A 62 6.475 13.215 -13.874 1.00 0.00 O ATOM 948 CB TRP A 62 8.626 13.339 -11.390 1.00 0.00 C ATOM 949 CG TRP A 62 7.287 13.413 -10.715 1.00 0.00 C ATOM 950 CD1 TRP A 62 6.690 14.513 -10.171 1.00 0.00 C ATOM 951 CD2 TRP A 62 6.388 12.327 -10.508 1.00 0.00 C ATOM 952 NE1 TRP A 62 5.467 14.171 -9.638 1.00 0.00 N ATOM 953 CE2 TRP A 62 5.261 12.828 -9.832 1.00 0.00 C ATOM 954 CE3 TRP A 62 6.432 10.975 -10.834 1.00 0.00 C ATOM 955 CZ2 TRP A 62 4.188 12.011 -9.475 1.00 0.00 C ATOM 956 CZ3 TRP A 62 5.373 10.173 -10.480 1.00 0.00 C ATOM 957 CH2 TRP A 62 4.263 10.692 -9.806 1.00 0.00 C ATOM 0 H TRP A 62 7.254 15.270 -13.161 1.00 0.00 H new ATOM 0 HA TRP A 62 9.589 13.527 -13.294 1.00 0.00 H new ATOM 0 HB2 TRP A 62 9.022 12.330 -11.278 1.00 0.00 H new ATOM 0 HB3 TRP A 62 9.316 14.010 -10.879 1.00 0.00 H new ATOM 0 HD1 TRP A 62 7.114 15.506 -10.160 1.00 0.00 H new ATOM 0 HE1 TRP A 62 4.821 14.810 -9.175 1.00 0.00 H new ATOM 0 HE3 TRP A 62 7.283 10.563 -11.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 3.329 12.410 -8.955 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 5.399 9.122 -10.727 1.00 0.00 H new ATOM 0 HH2 TRP A 62 3.449 10.033 -9.543 1.00 0.00 H new ATOM 968 N CYS A 63 8.047 11.630 -13.990 1.00 0.00 N ATOM 969 CA CYS A 63 7.188 10.699 -14.689 1.00 0.00 C ATOM 970 C CYS A 63 7.518 9.276 -14.260 1.00 0.00 C ATOM 971 O CYS A 63 8.381 9.061 -13.411 1.00 0.00 O ATOM 972 CB CYS A 63 7.354 10.861 -16.205 1.00 0.00 C ATOM 973 SG CYS A 63 8.878 10.118 -16.870 1.00 0.00 S ATOM 0 H CYS A 63 8.991 11.287 -13.814 1.00 0.00 H new ATOM 0 HA CYS A 63 6.149 10.909 -14.436 1.00 0.00 H new ATOM 0 HB2 CYS A 63 6.496 10.411 -16.704 1.00 0.00 H new ATOM 0 HB3 CYS A 63 7.344 11.923 -16.449 1.00 0.00 H new ATOM 978 N HIS A 64 6.821 8.307 -14.828 1.00 0.00 N ATOM 979 CA HIS A 64 7.047 6.907 -14.491 1.00 0.00 C ATOM 980 C HIS A 64 7.805 6.239 -15.616 1.00 0.00 C ATOM 981 O HIS A 64 7.470 6.421 -16.776 1.00 0.00 O ATOM 982 CB HIS A 64 5.713 6.194 -14.244 1.00 0.00 C ATOM 983 CG HIS A 64 4.962 6.770 -13.090 1.00 0.00 C ATOM 984 ND1 HIS A 64 4.023 7.769 -13.233 1.00 0.00 N ATOM 985 CD2 HIS A 64 5.025 6.500 -11.766 1.00 0.00 C ATOM 986 CE1 HIS A 64 3.544 8.089 -12.048 1.00 0.00 C ATOM 987 NE2 HIS A 64 4.134 7.333 -11.140 1.00 0.00 N ATOM 0 H HIS A 64 6.093 8.461 -15.525 1.00 0.00 H new ATOM 0 HA HIS A 64 7.636 6.847 -13.576 1.00 0.00 H new ATOM 0 HB2 HIS A 64 5.098 6.259 -15.142 1.00 0.00 H new ATOM 0 HB3 HIS A 64 5.899 5.136 -14.061 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.659 5.766 -11.291 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.795 8.842 -11.852 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.956 7.364 -10.136 1.00 0.00 H new ATOM 996 N THR A 65 8.830 5.483 -15.283 1.00 0.00 N ATOM 997 CA THR A 65 9.661 4.877 -16.304 1.00 0.00 C ATOM 998 C THR A 65 9.007 3.615 -16.847 1.00 0.00 C ATOM 999 O THR A 65 8.329 2.886 -16.117 1.00 0.00 O ATOM 1000 CB THR A 65 11.064 4.538 -15.761 1.00 0.00 C ATOM 1001 OG1 THR A 65 11.017 3.344 -14.981 1.00 0.00 O ATOM 1002 CG2 THR A 65 11.596 5.673 -14.904 1.00 0.00 C ATOM 0 H THR A 65 9.107 5.274 -14.324 1.00 0.00 H new ATOM 0 HA THR A 65 9.769 5.603 -17.109 1.00 0.00 H new ATOM 0 HB THR A 65 11.729 4.392 -16.612 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.699 3.555 -14.078 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.587 5.414 -14.531 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.660 6.582 -15.503 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.924 5.840 -14.063 1.00 0.00 H new ATOM 1010 N THR A 66 9.183 3.387 -18.138 1.00 0.00 N ATOM 1011 CA THR A 66 8.776 2.142 -18.762 1.00 0.00 C ATOM 1012 C THR A 66 9.777 1.023 -18.469 1.00 0.00 C ATOM 1013 O THR A 66 9.926 0.081 -19.248 1.00 0.00 O ATOM 1014 CB THR A 66 8.632 2.322 -20.281 1.00 0.00 C ATOM 1015 OG1 THR A 66 9.831 2.891 -20.819 1.00 0.00 O ATOM 1016 CG2 THR A 66 7.449 3.220 -20.597 1.00 0.00 C ATOM 0 H THR A 66 9.610 4.056 -18.779 1.00 0.00 H new ATOM 0 HA THR A 66 7.810 1.862 -18.341 1.00 0.00 H new ATOM 0 HB THR A 66 8.462 1.346 -20.735 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.130 2.360 -21.586 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.360 3.338 -21.677 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.536 2.771 -20.205 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.600 4.196 -20.137 1.00 0.00 H new ATOM 1024 N ASN A 67 10.469 1.146 -17.343 1.00 0.00 N ATOM 1025 CA ASN A 67 11.409 0.131 -16.900 1.00 0.00 C ATOM 1026 C ASN A 67 11.054 -0.300 -15.494 1.00 0.00 C ATOM 1027 O ASN A 67 10.969 0.526 -14.599 1.00 0.00 O ATOM 1028 CB ASN A 67 12.847 0.663 -16.907 1.00 0.00 C ATOM 1029 CG ASN A 67 13.345 1.028 -18.291 1.00 0.00 C ATOM 1030 OD1 ASN A 67 13.893 0.190 -19.001 1.00 0.00 O ATOM 1031 ND2 ASN A 67 13.173 2.286 -18.678 1.00 0.00 N ATOM 0 H ASN A 67 10.393 1.948 -16.717 1.00 0.00 H new ATOM 0 HA ASN A 67 11.347 -0.713 -17.587 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.905 1.541 -16.264 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.508 -0.090 -16.478 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.501 2.587 -19.596 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.712 2.952 -18.058 1.00 0.00 H new ATOM 1038 N SER A 68 10.853 -1.587 -15.293 1.00 0.00 N ATOM 1039 CA SER A 68 10.529 -2.102 -13.970 1.00 0.00 C ATOM 1040 C SER A 68 11.734 -2.041 -13.026 1.00 0.00 C ATOM 1041 O SER A 68 11.626 -2.384 -11.846 1.00 0.00 O ATOM 1042 CB SER A 68 9.997 -3.527 -14.084 1.00 0.00 C ATOM 1043 OG SER A 68 10.645 -4.241 -15.122 1.00 0.00 O ATOM 0 H SER A 68 10.907 -2.297 -16.024 1.00 0.00 H new ATOM 0 HA SER A 68 9.754 -1.468 -13.539 1.00 0.00 H new ATOM 0 HB2 SER A 68 10.142 -4.048 -13.137 1.00 0.00 H new ATOM 0 HB3 SER A 68 8.924 -3.502 -14.273 1.00 0.00 H new ATOM 0 HG SER A 68 10.283 -5.151 -15.168 1.00 0.00 H new ATOM 1049 N GLN A 69 12.869 -1.581 -13.547 1.00 0.00 N ATOM 1050 CA GLN A 69 14.083 -1.434 -12.751 1.00 0.00 C ATOM 1051 C GLN A 69 13.914 -0.303 -11.743 1.00 0.00 C ATOM 1052 O GLN A 69 14.322 -0.404 -10.585 1.00 0.00 O ATOM 1053 CB GLN A 69 15.278 -1.121 -13.655 1.00 0.00 C ATOM 1054 CG GLN A 69 15.419 -2.052 -14.846 1.00 0.00 C ATOM 1055 CD GLN A 69 16.685 -1.796 -15.640 1.00 0.00 C ATOM 1056 OE1 GLN A 69 17.739 -2.357 -15.343 1.00 0.00 O ATOM 1057 NE2 GLN A 69 16.587 -0.960 -16.660 1.00 0.00 N ATOM 0 H GLN A 69 12.972 -1.302 -14.523 1.00 0.00 H new ATOM 0 HA GLN A 69 14.263 -2.371 -12.225 1.00 0.00 H new ATOM 0 HB2 GLN A 69 15.187 -0.097 -14.017 1.00 0.00 H new ATOM 0 HB3 GLN A 69 16.191 -1.169 -13.061 1.00 0.00 H new ATOM 0 HG2 GLN A 69 15.416 -3.085 -14.497 1.00 0.00 H new ATOM 0 HG3 GLN A 69 14.555 -1.933 -15.499 1.00 0.00 H new ATOM 0 HE21 GLN A 69 15.693 -0.516 -16.872 1.00 0.00 H new ATOM 0 HE22 GLN A 69 17.405 -0.759 -17.235 1.00 0.00 H new ATOM 1066 N VAL A 70 13.298 0.770 -12.205 1.00 0.00 N ATOM 1067 CA VAL A 70 13.102 1.963 -11.406 1.00 0.00 C ATOM 1068 C VAL A 70 11.645 2.402 -11.491 1.00 0.00 C ATOM 1069 O VAL A 70 10.986 2.158 -12.492 1.00 0.00 O ATOM 1070 CB VAL A 70 14.038 3.092 -11.894 1.00 0.00 C ATOM 1071 CG1 VAL A 70 13.852 3.333 -13.379 1.00 0.00 C ATOM 1072 CG2 VAL A 70 13.830 4.379 -11.106 1.00 0.00 C ATOM 0 H VAL A 70 12.918 0.837 -13.149 1.00 0.00 H new ATOM 0 HA VAL A 70 13.344 1.743 -10.366 1.00 0.00 H new ATOM 0 HB VAL A 70 15.064 2.768 -11.720 1.00 0.00 H new ATOM 0 HG11 VAL A 70 14.519 4.131 -13.704 1.00 0.00 H new ATOM 0 HG12 VAL A 70 14.084 2.420 -13.928 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.819 3.621 -13.574 1.00 0.00 H new ATOM 0 HG21 VAL A 70 14.506 5.148 -11.480 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.800 4.715 -11.223 1.00 0.00 H new ATOM 0 HG23 VAL A 70 14.035 4.197 -10.051 1.00 0.00 H new ATOM 1082 N ARG A 71 11.136 3.026 -10.450 1.00 0.00 N ATOM 1083 CA ARG A 71 9.743 3.438 -10.438 1.00 0.00 C ATOM 1084 C ARG A 71 9.559 4.709 -11.267 1.00 0.00 C ATOM 1085 O ARG A 71 9.486 4.668 -12.499 1.00 0.00 O ATOM 1086 CB ARG A 71 9.271 3.691 -9.008 1.00 0.00 C ATOM 1087 CG ARG A 71 9.659 2.622 -8.016 1.00 0.00 C ATOM 1088 CD ARG A 71 9.632 3.196 -6.608 1.00 0.00 C ATOM 1089 NE ARG A 71 10.137 4.576 -6.589 1.00 0.00 N ATOM 1090 CZ ARG A 71 11.435 4.902 -6.615 1.00 0.00 C ATOM 1091 NH1 ARG A 71 12.371 3.956 -6.608 1.00 0.00 N1+ ATOM 1092 NH2 ARG A 71 11.792 6.179 -6.649 1.00 0.00 N ATOM 0 H ARG A 71 11.659 3.259 -9.606 1.00 0.00 H new ATOM 0 HA ARG A 71 9.147 2.635 -10.872 1.00 0.00 H new ATOM 0 HB2 ARG A 71 9.676 4.645 -8.670 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.185 3.788 -9.010 1.00 0.00 H new ATOM 0 HG2 ARG A 71 8.973 1.778 -8.089 1.00 0.00 H new ATOM 0 HG3 ARG A 71 10.655 2.243 -8.246 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.613 3.173 -6.222 1.00 0.00 H new ATOM 0 HD3 ARG A 71 10.237 2.575 -5.947 1.00 0.00 H new ATOM 0 HE ARG A 71 9.455 5.334 -6.554 1.00 0.00 H new ATOM 0 HH11 ARG A 71 12.102 2.972 -6.583 1.00 0.00 H new ATOM 0 HH12 ARG A 71 13.358 4.214 -6.628 1.00 0.00 H new ATOM 0 HH21 ARG A 71 11.079 6.908 -6.655 1.00 0.00 H new ATOM 0 HH22 ARG A 71 12.780 6.432 -6.669 1.00 0.00 H new ATOM 1106 N TRP A 72 9.459 5.830 -10.572 1.00 0.00 N ATOM 1107 CA TRP A 72 9.356 7.125 -11.195 1.00 0.00 C ATOM 1108 C TRP A 72 10.736 7.771 -11.318 1.00 0.00 C ATOM 1109 O TRP A 72 11.686 7.353 -10.654 1.00 0.00 O ATOM 1110 CB TRP A 72 8.400 8.004 -10.386 1.00 0.00 C ATOM 1111 CG TRP A 72 8.875 8.316 -8.997 1.00 0.00 C ATOM 1112 CD1 TRP A 72 8.854 7.499 -7.900 1.00 0.00 C ATOM 1113 CD2 TRP A 72 9.429 9.556 -8.559 1.00 0.00 C ATOM 1114 NE1 TRP A 72 9.363 8.159 -6.812 1.00 0.00 N ATOM 1115 CE2 TRP A 72 9.723 9.426 -7.191 1.00 0.00 C ATOM 1116 CE3 TRP A 72 9.706 10.764 -9.198 1.00 0.00 C ATOM 1117 CZ2 TRP A 72 10.279 10.462 -6.451 1.00 0.00 C ATOM 1118 CZ3 TRP A 72 10.256 11.790 -8.462 1.00 0.00 C ATOM 1119 CH2 TRP A 72 10.538 11.635 -7.102 1.00 0.00 C ATOM 0 H TRP A 72 9.448 5.860 -9.552 1.00 0.00 H new ATOM 0 HA TRP A 72 8.956 7.013 -12.203 1.00 0.00 H new ATOM 0 HB2 TRP A 72 8.243 8.940 -10.923 1.00 0.00 H new ATOM 0 HB3 TRP A 72 7.432 7.506 -10.323 1.00 0.00 H new ATOM 0 HD1 TRP A 72 8.490 6.482 -7.892 1.00 0.00 H new ATOM 0 HE1 TRP A 72 9.458 7.771 -5.874 1.00 0.00 H new ATOM 0 HE3 TRP A 72 9.494 10.893 -10.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 10.498 10.345 -5.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 10.473 12.731 -8.945 1.00 0.00 H new ATOM 0 HH2 TRP A 72 10.970 12.460 -6.554 1.00 0.00 H new ATOM 1130 N GLU A 73 10.830 8.792 -12.153 1.00 0.00 N ATOM 1131 CA GLU A 73 12.075 9.515 -12.375 1.00 0.00 C ATOM 1132 C GLU A 73 11.773 10.986 -12.607 1.00 0.00 C ATOM 1133 O GLU A 73 10.722 11.327 -13.152 1.00 0.00 O ATOM 1134 CB GLU A 73 12.805 8.943 -13.595 1.00 0.00 C ATOM 1135 CG GLU A 73 13.773 7.816 -13.294 1.00 0.00 C ATOM 1136 CD GLU A 73 15.151 8.311 -12.913 1.00 0.00 C ATOM 1137 OE1 GLU A 73 15.322 8.797 -11.778 1.00 0.00 O1- ATOM 1138 OE2 GLU A 73 16.075 8.202 -13.751 1.00 0.00 O1- ATOM 0 H GLU A 73 10.044 9.145 -12.699 1.00 0.00 H new ATOM 0 HA GLU A 73 12.711 9.406 -11.497 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.063 8.583 -14.308 1.00 0.00 H new ATOM 0 HB3 GLU A 73 13.351 9.750 -14.084 1.00 0.00 H new ATOM 0 HG2 GLU A 73 13.374 7.207 -12.483 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.853 7.169 -14.168 1.00 0.00 H new ATOM 1145 N TYR A 74 12.681 11.849 -12.180 1.00 0.00 N ATOM 1146 CA TYR A 74 12.553 13.275 -12.438 1.00 0.00 C ATOM 1147 C TYR A 74 12.897 13.584 -13.883 1.00 0.00 C ATOM 1148 O TYR A 74 13.425 12.735 -14.604 1.00 0.00 O ATOM 1149 CB TYR A 74 13.478 14.086 -11.530 1.00 0.00 C ATOM 1150 CG TYR A 74 12.989 14.243 -10.109 1.00 0.00 C ATOM 1151 CD1 TYR A 74 11.801 14.907 -9.837 1.00 0.00 C ATOM 1152 CD2 TYR A 74 13.724 13.744 -9.043 1.00 0.00 C ATOM 1153 CE1 TYR A 74 11.359 15.072 -8.533 1.00 0.00 C ATOM 1154 CE2 TYR A 74 13.290 13.901 -7.743 1.00 0.00 C ATOM 1155 CZ TYR A 74 12.110 14.567 -7.492 1.00 0.00 C ATOM 1156 OH TYR A 74 11.684 14.726 -6.194 1.00 0.00 O ATOM 0 H TYR A 74 13.514 11.587 -11.653 1.00 0.00 H new ATOM 0 HA TYR A 74 11.519 13.552 -12.234 1.00 0.00 H new ATOM 0 HB2 TYR A 74 14.458 13.608 -11.512 1.00 0.00 H new ATOM 0 HB3 TYR A 74 13.614 15.076 -11.964 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.212 15.301 -10.652 1.00 0.00 H new ATOM 0 HD2 TYR A 74 14.651 13.224 -9.234 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.434 15.592 -8.334 1.00 0.00 H new ATOM 0 HE2 TYR A 74 13.873 13.504 -6.925 1.00 0.00 H new ATOM 0 HH TYR A 74 12.329 14.310 -5.585 1.00 0.00 H new ATOM 1166 N CYS A 75 12.609 14.803 -14.296 1.00 0.00 N ATOM 1167 CA CYS A 75 12.965 15.259 -15.633 1.00 0.00 C ATOM 1168 C CYS A 75 13.697 16.590 -15.555 1.00 0.00 C ATOM 1169 O CYS A 75 13.299 17.483 -14.804 1.00 0.00 O ATOM 1170 CB CYS A 75 11.724 15.421 -16.505 1.00 0.00 C ATOM 1171 SG CYS A 75 10.630 13.970 -16.566 1.00 0.00 S ATOM 0 H CYS A 75 12.129 15.499 -13.726 1.00 0.00 H new ATOM 0 HA CYS A 75 13.614 14.507 -16.080 1.00 0.00 H new ATOM 0 HB2 CYS A 75 11.151 16.274 -16.140 1.00 0.00 H new ATOM 0 HB3 CYS A 75 12.041 15.661 -17.520 1.00 0.00 H new ATOM 1176 N LYS A 76 14.751 16.733 -16.341 1.00 0.00 N ATOM 1177 CA LYS A 76 15.519 17.965 -16.334 1.00 0.00 C ATOM 1178 C LYS A 76 14.985 18.919 -17.388 1.00 0.00 C ATOM 1179 O LYS A 76 15.485 18.970 -18.513 1.00 0.00 O ATOM 1180 CB LYS A 76 17.006 17.703 -16.581 1.00 0.00 C ATOM 1181 CG LYS A 76 17.865 18.950 -16.412 1.00 0.00 C ATOM 1182 CD LYS A 76 19.260 18.764 -16.985 1.00 0.00 C ATOM 1183 CE LYS A 76 20.031 17.677 -16.261 1.00 0.00 C ATOM 1184 NZ LYS A 76 21.395 17.499 -16.828 1.00 0.00 N1+ ATOM 0 H LYS A 76 15.091 16.019 -16.985 1.00 0.00 H new ATOM 0 HA LYS A 76 15.414 18.415 -15.347 1.00 0.00 H new ATOM 0 HB2 LYS A 76 17.353 16.933 -15.892 1.00 0.00 H new ATOM 0 HB3 LYS A 76 17.138 17.311 -17.590 1.00 0.00 H new ATOM 0 HG2 LYS A 76 17.381 19.793 -16.905 1.00 0.00 H new ATOM 0 HG3 LYS A 76 17.938 19.199 -15.353 1.00 0.00 H new ATOM 0 HD2 LYS A 76 19.187 18.513 -18.043 1.00 0.00 H new ATOM 0 HD3 LYS A 76 19.808 19.704 -16.917 1.00 0.00 H new ATOM 0 HE2 LYS A 76 20.107 17.928 -15.203 1.00 0.00 H new ATOM 0 HE3 LYS A 76 19.484 16.737 -16.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 21.892 16.748 -16.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 21.322 17.235 -17.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 21.926 18.389 -16.742 1.00 0.00 H new ATOM 1198 N ILE A 77 13.950 19.651 -17.028 1.00 0.00 N ATOM 1199 CA ILE A 77 13.415 20.670 -17.905 1.00 0.00 C ATOM 1200 C ILE A 77 14.256 21.939 -17.728 1.00 0.00 C ATOM 1201 O ILE A 77 14.759 22.180 -16.626 1.00 0.00 O ATOM 1202 CB ILE A 77 11.922 20.952 -17.575 1.00 0.00 C ATOM 1203 CG1 ILE A 77 11.108 19.649 -17.530 1.00 0.00 C ATOM 1204 CG2 ILE A 77 11.312 21.916 -18.570 1.00 0.00 C ATOM 1205 CD1 ILE A 77 11.238 18.771 -18.757 1.00 0.00 C ATOM 0 H ILE A 77 13.464 19.559 -16.136 1.00 0.00 H new ATOM 0 HA ILE A 77 13.461 20.332 -18.940 1.00 0.00 H new ATOM 0 HB ILE A 77 11.889 21.413 -16.588 1.00 0.00 H new ATOM 0 HG12 ILE A 77 11.417 19.075 -16.656 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.056 19.900 -17.391 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.268 22.093 -18.312 1.00 0.00 H new ATOM 0 HG22 ILE A 77 11.857 22.860 -18.544 1.00 0.00 H new ATOM 0 HG23 ILE A 77 11.371 21.491 -19.572 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.628 17.877 -18.631 1.00 0.00 H new ATOM 0 HD12 ILE A 77 10.899 19.321 -19.635 1.00 0.00 H new ATOM 0 HD13 ILE A 77 12.281 18.483 -18.889 1.00 0.00 H new ATOM 1217 N PRO A 78 14.460 22.755 -18.791 1.00 0.00 N ATOM 1218 CA PRO A 78 15.192 24.020 -18.675 1.00 0.00 C ATOM 1219 C PRO A 78 14.490 24.949 -17.705 1.00 0.00 C ATOM 1220 O PRO A 78 13.504 24.579 -17.104 1.00 0.00 O ATOM 1221 CB PRO A 78 15.158 24.600 -20.088 1.00 0.00 C ATOM 1222 CG PRO A 78 14.890 23.436 -20.964 1.00 0.00 C ATOM 1223 CD PRO A 78 13.995 22.535 -20.166 1.00 0.00 C ATOM 0 HA PRO A 78 16.207 23.886 -18.300 1.00 0.00 H new ATOM 0 HB2 PRO A 78 14.381 25.358 -20.187 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.104 25.078 -20.343 1.00 0.00 H new ATOM 0 HG2 PRO A 78 14.410 23.745 -21.892 1.00 0.00 H new ATOM 0 HG3 PRO A 78 15.815 22.929 -21.238 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.944 22.799 -20.285 1.00 0.00 H new ATOM 0 HD3 PRO A 78 14.098 21.492 -20.466 1.00 0.00 H new