USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 620 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 Single : A 1 GLY N :NH3+ -146:sc= 0.0722 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.36 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 ASN : amide:sc= 0.272 K(o=0.27,f=-2.6!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.0196 X(o=-0.02,f=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 16:sc= -0.42! USER MOD Single : A 30 THR OG1 : rot -59:sc= 0.206 USER MOD Single : A 31 SER OG : rot 180:sc= 0.177 USER MOD Single : A 33 LYS NZ :NH3+ -154:sc= -0.0661 (180deg=-0.379) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 159:sc= -0.774 (180deg=-1.47) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -167:sc= -1.17 (180deg=-1.59) USER MOD Single : A 59 GLN : amide:sc= -0.0153 X(o=-0.015,f=0) USER MOD Single : A 61 SER OG : rot 85:sc= 0.809 USER MOD Single : A 62 MET CE :methyl 180:sc= -0.0917 (180deg=-0.0917) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.0172 K(o=-0.017,f=-1.9!) USER MOD Single : A 68 LYS NZ :NH3+ 161:sc= -1.27 (180deg=-2.01) USER MOD Single : A 69 SER OG : rot -97:sc= 0.841 USER MOD Single : A 71 THR OG1 : rot 14:sc= 0.977! USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.728 20.796 -19.033 1.00 13.64 N ATOM 2 CA GLY A 1 -11.522 20.656 -19.899 1.00 13.19 C ATOM 3 C GLY A 1 -11.617 19.357 -20.705 1.00 12.36 C ATOM 4 O GLY A 1 -12.715 18.869 -20.971 1.00 12.08 O ATOM 0 H1 GLY A 1 -12.979 21.802 -18.948 1.00 13.64 H new ATOM 0 H2 GLY A 1 -13.522 20.275 -19.457 1.00 13.64 H new ATOM 0 H3 GLY A 1 -12.525 20.409 -18.089 1.00 13.64 H new ATOM 0 HA2 GLY A 1 -11.445 21.509 -20.573 1.00 13.19 H new ATOM 0 HA3 GLY A 1 -10.620 20.651 -19.286 1.00 13.19 H new ATOM 10 N PRO A 2 -10.471 18.777 -21.104 1.00 12.13 N ATOM 11 CA PRO A 2 -10.464 17.526 -21.883 1.00 11.53 C ATOM 12 C PRO A 2 -10.616 16.286 -21.004 1.00 10.87 C ATOM 13 O PRO A 2 -10.051 16.208 -19.914 1.00 11.06 O ATOM 14 CB PRO A 2 -9.088 17.560 -22.538 1.00 11.92 C ATOM 15 CG PRO A 2 -8.201 18.448 -21.672 1.00 12.50 C ATOM 16 CD PRO A 2 -9.123 19.319 -20.812 1.00 12.69 C ATOM 0 HA PRO A 2 -11.295 17.464 -22.585 1.00 11.53 H new ATOM 0 HB2 PRO A 2 -8.672 16.555 -22.612 1.00 11.92 H new ATOM 0 HB3 PRO A 2 -9.154 17.954 -23.552 1.00 11.92 H new ATOM 0 HG2 PRO A 2 -7.549 17.842 -21.043 1.00 12.50 H new ATOM 0 HG3 PRO A 2 -7.556 19.069 -22.294 1.00 12.50 H new ATOM 0 HD2 PRO A 2 -8.878 19.240 -19.753 1.00 12.69 H new ATOM 0 HD3 PRO A 2 -9.046 20.373 -21.080 1.00 12.69 H new ATOM 24 N ALA A 3 -11.387 15.320 -21.494 1.00 10.31 N ATOM 25 CA ALA A 3 -11.610 14.085 -20.747 1.00 9.88 C ATOM 26 C ALA A 3 -10.751 12.958 -21.312 1.00 8.87 C ATOM 27 O ALA A 3 -10.469 12.914 -22.510 1.00 8.87 O ATOM 28 CB ALA A 3 -13.082 13.674 -20.820 1.00 10.41 C ATOM 0 H ALA A 3 -11.863 15.366 -22.395 1.00 10.31 H new ATOM 0 HA ALA A 3 -11.335 14.266 -19.708 1.00 9.88 H new ATOM 0 HB1 ALA A 3 -13.231 12.752 -20.258 1.00 10.41 H new ATOM 0 HB2 ALA A 3 -13.702 14.463 -20.393 1.00 10.41 H new ATOM 0 HB3 ALA A 3 -13.364 13.514 -21.861 1.00 10.41 H new ATOM 34 N SER A 4 -10.340 12.047 -20.435 1.00 8.23 N ATOM 35 CA SER A 4 -9.513 10.919 -20.854 1.00 7.43 C ATOM 36 C SER A 4 -10.209 9.600 -20.532 1.00 6.45 C ATOM 37 O SER A 4 -10.525 9.313 -19.378 1.00 6.46 O ATOM 38 CB SER A 4 -8.160 10.954 -20.142 1.00 7.71 C ATOM 39 OG SER A 4 -7.179 10.340 -20.968 1.00 8.01 O ATOM 0 H SER A 4 -10.563 12.066 -19.440 1.00 8.23 H new ATOM 0 HA SER A 4 -9.359 10.996 -21.930 1.00 7.43 H new ATOM 0 HB2 SER A 4 -7.877 11.984 -19.925 1.00 7.71 H new ATOM 0 HB3 SER A 4 -8.225 10.433 -19.187 1.00 7.71 H new ATOM 0 HG SER A 4 -6.310 10.362 -20.516 1.00 8.01 H new ATOM 45 N VAL A 5 -10.445 8.802 -21.569 1.00 5.93 N ATOM 46 CA VAL A 5 -11.106 7.511 -21.388 1.00 5.29 C ATOM 47 C VAL A 5 -10.065 6.384 -21.346 1.00 4.34 C ATOM 48 O VAL A 5 -9.102 6.404 -22.113 1.00 4.23 O ATOM 49 CB VAL A 5 -12.082 7.249 -22.539 1.00 5.68 C ATOM 50 CG1 VAL A 5 -12.890 5.982 -22.250 1.00 5.89 C ATOM 51 CG2 VAL A 5 -13.037 8.437 -22.680 1.00 6.25 C ATOM 0 H VAL A 5 -10.193 9.021 -22.533 1.00 5.93 H new ATOM 0 HA VAL A 5 -11.654 7.536 -20.446 1.00 5.29 H new ATOM 0 HB VAL A 5 -11.521 7.119 -23.464 1.00 5.68 H new ATOM 0 HG11 VAL A 5 -13.584 5.798 -23.070 1.00 5.89 H new ATOM 0 HG12 VAL A 5 -12.213 5.134 -22.150 1.00 5.89 H new ATOM 0 HG13 VAL A 5 -13.450 6.111 -21.324 1.00 5.89 H new ATOM 0 HG21 VAL A 5 -13.731 8.250 -23.499 1.00 6.25 H new ATOM 0 HG22 VAL A 5 -13.596 8.567 -21.753 1.00 6.25 H new ATOM 0 HG23 VAL A 5 -12.465 9.341 -22.888 1.00 6.25 H new ATOM 61 N PRO A 6 -10.233 5.385 -20.459 1.00 4.14 N ATOM 62 CA PRO A 6 -9.277 4.268 -20.360 1.00 3.76 C ATOM 63 C PRO A 6 -9.538 3.179 -21.397 1.00 3.28 C ATOM 64 O PRO A 6 -10.511 3.237 -22.149 1.00 3.74 O ATOM 65 CB PRO A 6 -9.531 3.746 -18.951 1.00 4.55 C ATOM 66 CG PRO A 6 -10.949 4.157 -18.570 1.00 5.11 C ATOM 67 CD PRO A 6 -11.366 5.296 -19.507 1.00 4.91 C ATOM 0 HA PRO A 6 -8.249 4.579 -20.546 1.00 3.76 H new ATOM 0 HB2 PRO A 6 -9.422 2.662 -18.916 1.00 4.55 H new ATOM 0 HB3 PRO A 6 -8.808 4.162 -18.250 1.00 4.55 H new ATOM 0 HG2 PRO A 6 -11.632 3.313 -18.665 1.00 5.11 H new ATOM 0 HG3 PRO A 6 -10.988 4.482 -17.530 1.00 5.11 H new ATOM 0 HD2 PRO A 6 -12.304 5.075 -20.017 1.00 4.91 H new ATOM 0 HD3 PRO A 6 -11.511 6.231 -18.965 1.00 4.91 H new ATOM 75 N THR A 7 -8.656 2.183 -21.427 1.00 2.95 N ATOM 76 CA THR A 7 -8.798 1.081 -22.374 1.00 3.10 C ATOM 77 C THR A 7 -9.773 0.038 -21.837 1.00 2.71 C ATOM 78 O THR A 7 -10.584 -0.516 -22.578 1.00 3.34 O ATOM 79 CB THR A 7 -7.444 0.415 -22.627 1.00 4.00 C ATOM 80 OG1 THR A 7 -6.465 1.414 -22.872 1.00 4.61 O ATOM 81 CG2 THR A 7 -7.547 -0.512 -23.839 1.00 4.67 C ATOM 0 H THR A 7 -7.844 2.116 -20.814 1.00 2.95 H new ATOM 0 HA THR A 7 -9.182 1.489 -23.309 1.00 3.10 H new ATOM 0 HB THR A 7 -7.156 -0.168 -21.752 1.00 4.00 H new ATOM 0 HG1 THR A 7 -5.597 0.989 -23.033 1.00 4.61 H new ATOM 0 HG21 THR A 7 -6.582 -0.986 -24.018 1.00 4.67 H new ATOM 0 HG22 THR A 7 -8.298 -1.279 -23.648 1.00 4.67 H new ATOM 0 HG23 THR A 7 -7.835 0.067 -24.716 1.00 4.67 H new ATOM 89 N THR A 8 -9.682 -0.224 -20.536 1.00 2.31 N ATOM 90 CA THR A 8 -10.560 -1.206 -19.902 1.00 2.57 C ATOM 91 C THR A 8 -10.288 -1.268 -18.401 1.00 2.19 C ATOM 92 O THR A 8 -9.388 -0.599 -17.890 1.00 2.24 O ATOM 93 CB THR A 8 -10.340 -2.592 -20.514 1.00 3.29 C ATOM 94 OG1 THR A 8 -11.136 -3.547 -19.825 1.00 3.87 O ATOM 95 CG2 THR A 8 -8.863 -2.979 -20.401 1.00 3.77 C ATOM 0 H THR A 8 -9.017 0.224 -19.905 1.00 2.31 H new ATOM 0 HA THR A 8 -11.592 -0.899 -20.070 1.00 2.57 H new ATOM 0 HB THR A 8 -10.626 -2.571 -21.565 1.00 3.29 H new ATOM 0 HG1 THR A 8 -10.996 -4.434 -20.218 1.00 3.87 H new ATOM 0 HG21 THR A 8 -8.711 -3.966 -20.838 1.00 3.77 H new ATOM 0 HG22 THR A 8 -8.254 -2.249 -20.934 1.00 3.77 H new ATOM 0 HG23 THR A 8 -8.571 -2.998 -19.351 1.00 3.77 H new ATOM 103 N CYS A 9 -11.073 -2.080 -17.700 1.00 2.05 N ATOM 104 CA CYS A 9 -10.909 -2.224 -16.255 1.00 1.84 C ATOM 105 C CYS A 9 -9.750 -3.167 -15.951 1.00 1.86 C ATOM 106 O CYS A 9 -9.020 -3.586 -16.850 1.00 2.40 O ATOM 107 CB CYS A 9 -12.185 -2.783 -15.616 1.00 1.97 C ATOM 108 SG CYS A 9 -13.608 -1.770 -16.097 1.00 2.39 S ATOM 0 H CYS A 9 -11.822 -2.644 -18.102 1.00 2.05 H new ATOM 0 HA CYS A 9 -10.703 -1.238 -15.840 1.00 1.84 H new ATOM 0 HB2 CYS A 9 -12.339 -3.815 -15.932 1.00 1.97 H new ATOM 0 HB3 CYS A 9 -12.085 -2.793 -14.531 1.00 1.97 H new ATOM 113 N CYS A 10 -9.588 -3.498 -14.672 1.00 1.73 N ATOM 114 CA CYS A 10 -8.511 -4.396 -14.261 1.00 1.73 C ATOM 115 C CYS A 10 -9.070 -5.549 -13.430 1.00 1.76 C ATOM 116 O CYS A 10 -9.411 -5.383 -12.260 1.00 2.04 O ATOM 117 CB CYS A 10 -7.461 -3.630 -13.434 1.00 1.70 C ATOM 118 SG CYS A 10 -5.882 -3.572 -14.326 1.00 2.06 S ATOM 0 H CYS A 10 -10.180 -3.163 -13.911 1.00 1.73 H new ATOM 0 HA CYS A 10 -8.038 -4.796 -15.158 1.00 1.73 H new ATOM 0 HB2 CYS A 10 -7.812 -2.617 -13.235 1.00 1.70 H new ATOM 0 HB3 CYS A 10 -7.324 -4.115 -12.468 1.00 1.70 H new ATOM 123 N PHE A 11 -9.152 -6.721 -14.052 1.00 1.84 N ATOM 124 CA PHE A 11 -9.663 -7.903 -13.365 1.00 1.87 C ATOM 125 C PHE A 11 -8.506 -8.780 -12.900 1.00 1.89 C ATOM 126 O PHE A 11 -7.430 -8.778 -13.498 1.00 2.03 O ATOM 127 CB PHE A 11 -10.569 -8.716 -14.292 1.00 2.02 C ATOM 128 CG PHE A 11 -11.845 -7.950 -14.549 1.00 2.03 C ATOM 129 CD1 PHE A 11 -12.633 -7.521 -13.473 1.00 2.39 C ATOM 130 CD2 PHE A 11 -12.242 -7.669 -15.862 1.00 2.35 C ATOM 131 CE1 PHE A 11 -13.816 -6.811 -13.711 1.00 2.43 C ATOM 132 CE2 PHE A 11 -13.425 -6.959 -16.099 1.00 2.43 C ATOM 133 CZ PHE A 11 -14.212 -6.530 -15.024 1.00 2.16 C ATOM 0 H PHE A 11 -8.874 -6.878 -15.021 1.00 1.84 H new ATOM 0 HA PHE A 11 -10.241 -7.571 -12.502 1.00 1.87 H new ATOM 0 HB2 PHE A 11 -10.057 -8.917 -15.233 1.00 2.02 H new ATOM 0 HB3 PHE A 11 -10.797 -9.682 -13.840 1.00 2.02 H new ATOM 0 HD1 PHE A 11 -12.328 -7.738 -12.460 1.00 2.39 H new ATOM 0 HD2 PHE A 11 -11.635 -8.000 -16.692 1.00 2.35 H new ATOM 0 HE1 PHE A 11 -14.423 -6.480 -12.881 1.00 2.43 H new ATOM 0 HE2 PHE A 11 -13.731 -6.742 -17.112 1.00 2.43 H new ATOM 0 HZ PHE A 11 -15.125 -5.982 -15.207 1.00 2.16 H new ATOM 143 N ASN A 12 -8.737 -9.526 -11.823 1.00 1.97 N ATOM 144 CA ASN A 12 -7.704 -10.405 -11.276 1.00 2.02 C ATOM 145 C ASN A 12 -6.478 -9.594 -10.864 1.00 1.88 C ATOM 146 O ASN A 12 -5.507 -9.484 -11.612 1.00 1.90 O ATOM 147 CB ASN A 12 -7.286 -11.455 -12.308 1.00 2.19 C ATOM 148 CG ASN A 12 -8.406 -12.475 -12.479 1.00 2.61 C ATOM 149 OD1 ASN A 12 -8.444 -13.488 -11.780 1.00 3.12 O ATOM 150 ND2 ASN A 12 -9.331 -12.267 -13.376 1.00 3.11 N ATOM 0 H ASN A 12 -9.621 -9.541 -11.315 1.00 1.97 H new ATOM 0 HA ASN A 12 -8.119 -10.906 -10.402 1.00 2.02 H new ATOM 0 HB2 ASN A 12 -7.068 -10.976 -13.262 1.00 2.19 H new ATOM 0 HB3 ASN A 12 -6.372 -11.954 -11.985 1.00 2.19 H new ATOM 0 HD21 ASN A 12 -10.085 -12.943 -13.498 1.00 3.11 H new ATOM 0 HD22 ASN A 12 -9.300 -11.428 -13.955 1.00 3.11 H new ATOM 157 N LEU A 13 -6.539 -9.026 -9.662 1.00 1.77 N ATOM 158 CA LEU A 13 -5.434 -8.219 -9.147 1.00 1.64 C ATOM 159 C LEU A 13 -4.154 -9.046 -9.069 1.00 1.72 C ATOM 160 O LEU A 13 -4.176 -10.219 -8.698 1.00 1.94 O ATOM 161 CB LEU A 13 -5.769 -7.686 -7.757 1.00 1.56 C ATOM 162 CG LEU A 13 -7.046 -6.848 -7.836 1.00 1.51 C ATOM 163 CD1 LEU A 13 -7.772 -6.899 -6.493 1.00 1.49 C ATOM 164 CD2 LEU A 13 -6.685 -5.399 -8.170 1.00 1.39 C ATOM 0 H LEU A 13 -7.335 -9.108 -9.030 1.00 1.77 H new ATOM 0 HA LEU A 13 -5.281 -7.384 -9.831 1.00 1.64 H new ATOM 0 HB2 LEU A 13 -5.905 -8.513 -7.060 1.00 1.56 H new ATOM 0 HB3 LEU A 13 -4.945 -7.081 -7.378 1.00 1.56 H new ATOM 0 HG LEU A 13 -7.696 -7.247 -8.614 1.00 1.51 H new ATOM 0 HD11 LEU A 13 -8.682 -6.302 -6.549 1.00 1.49 H new ATOM 0 HD12 LEU A 13 -8.029 -7.932 -6.257 1.00 1.49 H new ATOM 0 HD13 LEU A 13 -7.123 -6.500 -5.713 1.00 1.49 H new ATOM 0 HD21 LEU A 13 -7.595 -4.801 -8.226 1.00 1.39 H new ATOM 0 HD22 LEU A 13 -6.035 -4.998 -7.393 1.00 1.39 H new ATOM 0 HD23 LEU A 13 -6.168 -5.365 -9.129 1.00 1.39 H new ATOM 176 N ALA A 14 -3.040 -8.416 -9.426 1.00 1.59 N ATOM 177 CA ALA A 14 -1.750 -9.099 -9.397 1.00 1.66 C ATOM 178 C ALA A 14 -1.378 -9.473 -7.967 1.00 1.65 C ATOM 179 O ALA A 14 -1.472 -8.656 -7.052 1.00 1.57 O ATOM 180 CB ALA A 14 -0.656 -8.200 -9.979 1.00 1.59 C ATOM 0 H ALA A 14 -3.002 -7.445 -9.736 1.00 1.59 H new ATOM 0 HA ALA A 14 -1.834 -10.004 -9.999 1.00 1.66 H new ATOM 0 HB1 ALA A 14 0.299 -8.724 -9.950 1.00 1.59 H new ATOM 0 HB2 ALA A 14 -0.901 -7.950 -11.011 1.00 1.59 H new ATOM 0 HB3 ALA A 14 -0.586 -7.285 -9.391 1.00 1.59 H new ATOM 186 N ASN A 15 -0.951 -10.719 -7.786 1.00 1.79 N ATOM 187 CA ASN A 15 -0.562 -11.195 -6.462 1.00 1.82 C ATOM 188 C ASN A 15 0.941 -11.032 -6.264 1.00 1.80 C ATOM 189 O ASN A 15 1.412 -10.773 -5.156 1.00 1.76 O ATOM 190 CB ASN A 15 -0.934 -12.669 -6.289 1.00 2.04 C ATOM 191 CG ASN A 15 -0.330 -13.484 -7.427 1.00 2.36 C ATOM 192 OD1 ASN A 15 -0.783 -13.401 -8.568 1.00 2.95 O ATOM 193 ND2 ASN A 15 0.678 -14.277 -7.182 1.00 2.78 N ATOM 0 H ASN A 15 -0.866 -11.411 -8.530 1.00 1.79 H new ATOM 0 HA ASN A 15 -1.095 -10.602 -5.719 1.00 1.82 H new ATOM 0 HB2 ASN A 15 -0.568 -13.037 -5.330 1.00 2.04 H new ATOM 0 HB3 ASN A 15 -2.018 -12.783 -6.282 1.00 2.04 H new ATOM 0 HD21 ASN A 15 1.089 -14.827 -7.936 1.00 2.78 H new ATOM 0 HD22 ASN A 15 1.054 -14.346 -6.236 1.00 2.78 H new ATOM 200 N ARG A 16 1.687 -11.182 -7.354 1.00 1.88 N ATOM 201 CA ARG A 16 3.139 -11.047 -7.295 1.00 1.89 C ATOM 202 C ARG A 16 3.522 -9.602 -6.991 1.00 1.70 C ATOM 203 O ARG A 16 2.682 -8.703 -7.023 1.00 1.66 O ATOM 204 CB ARG A 16 3.771 -11.462 -8.625 1.00 2.03 C ATOM 205 CG ARG A 16 3.621 -12.973 -8.811 1.00 2.27 C ATOM 206 CD ARG A 16 4.743 -13.489 -9.715 1.00 2.52 C ATOM 207 NE ARG A 16 4.379 -13.344 -11.126 1.00 3.05 N ATOM 208 CZ ARG A 16 3.376 -14.042 -11.679 1.00 3.51 C ATOM 209 NH1 ARG A 16 2.671 -14.895 -10.975 1.00 3.65 N ATOM 210 NH2 ARG A 16 3.098 -13.871 -12.943 1.00 4.27 N ATOM 0 H ARG A 16 1.316 -11.395 -8.280 1.00 1.88 H new ATOM 0 HA ARG A 16 3.508 -11.698 -6.502 1.00 1.89 H new ATOM 0 HB2 ARG A 16 3.291 -10.934 -9.449 1.00 2.03 H new ATOM 0 HB3 ARG A 16 4.825 -11.186 -8.641 1.00 2.03 H new ATOM 0 HG2 ARG A 16 3.659 -13.475 -7.844 1.00 2.27 H new ATOM 0 HG3 ARG A 16 2.650 -13.202 -9.251 1.00 2.27 H new ATOM 0 HD2 ARG A 16 5.662 -12.938 -9.513 1.00 2.52 H new ATOM 0 HD3 ARG A 16 4.944 -14.537 -9.492 1.00 2.52 H new ATOM 0 HE ARG A 16 4.905 -12.691 -11.707 1.00 3.05 H new ATOM 0 HH11 ARG A 16 2.881 -15.038 -9.987 1.00 3.65 H new ATOM 0 HH12 ARG A 16 1.912 -15.416 -11.415 1.00 3.65 H new ATOM 0 HH21 ARG A 16 3.641 -13.212 -13.500 1.00 4.27 H new ATOM 0 HH22 ARG A 16 2.337 -14.397 -13.374 1.00 4.27 H new ATOM 224 N LYS A 17 4.800 -9.391 -6.695 1.00 1.67 N ATOM 225 CA LYS A 17 5.296 -8.074 -6.385 1.00 1.53 C ATOM 226 C LYS A 17 5.981 -7.489 -7.631 1.00 1.51 C ATOM 227 O LYS A 17 6.647 -8.199 -8.384 1.00 1.61 O ATOM 228 CB LYS A 17 6.273 -8.199 -5.193 1.00 1.59 C ATOM 229 CG LYS A 17 7.229 -7.010 -5.130 1.00 1.98 C ATOM 230 CD LYS A 17 7.427 -6.566 -3.676 1.00 2.07 C ATOM 231 CE LYS A 17 8.891 -6.185 -3.451 1.00 2.71 C ATOM 232 NZ LYS A 17 9.246 -6.407 -2.020 1.00 3.18 N ATOM 0 H LYS A 17 5.507 -10.126 -6.666 1.00 1.67 H new ATOM 0 HA LYS A 17 4.489 -7.398 -6.105 1.00 1.53 H new ATOM 0 HB2 LYS A 17 5.708 -8.264 -4.263 1.00 1.59 H new ATOM 0 HB3 LYS A 17 6.844 -9.123 -5.284 1.00 1.59 H new ATOM 0 HG2 LYS A 17 8.189 -7.282 -5.569 1.00 1.98 H new ATOM 0 HG3 LYS A 17 6.832 -6.183 -5.719 1.00 1.98 H new ATOM 0 HD2 LYS A 17 6.781 -5.717 -3.453 1.00 2.07 H new ATOM 0 HD3 LYS A 17 7.141 -7.370 -2.998 1.00 2.07 H new ATOM 0 HE2 LYS A 17 9.537 -6.783 -4.094 1.00 2.71 H new ATOM 0 HE3 LYS A 17 9.052 -5.141 -3.719 1.00 2.71 H new ATOM 0 HZ1 LYS A 17 10.241 -6.148 -1.865 1.00 3.18 H new ATOM 0 HZ2 LYS A 17 8.637 -5.819 -1.416 1.00 3.18 H new ATOM 0 HZ3 LYS A 17 9.107 -7.409 -1.779 1.00 3.18 H new ATOM 246 N ILE A 18 5.808 -6.184 -7.824 1.00 1.40 N ATOM 247 CA ILE A 18 6.411 -5.501 -8.966 1.00 1.41 C ATOM 248 C ILE A 18 7.590 -4.640 -8.492 1.00 1.34 C ATOM 249 O ILE A 18 7.505 -4.004 -7.441 1.00 1.25 O ATOM 250 CB ILE A 18 5.371 -4.608 -9.652 1.00 1.35 C ATOM 251 CG1 ILE A 18 4.153 -5.452 -10.035 1.00 1.44 C ATOM 252 CG2 ILE A 18 5.970 -3.982 -10.913 1.00 1.42 C ATOM 253 CD1 ILE A 18 3.051 -4.545 -10.589 1.00 1.39 C ATOM 0 H ILE A 18 5.260 -5.582 -7.210 1.00 1.40 H new ATOM 0 HA ILE A 18 6.768 -6.247 -9.676 1.00 1.41 H new ATOM 0 HB ILE A 18 5.071 -3.815 -8.966 1.00 1.35 H new ATOM 0 HG12 ILE A 18 4.434 -6.196 -10.780 1.00 1.44 H new ATOM 0 HG13 ILE A 18 3.787 -5.996 -9.164 1.00 1.44 H new ATOM 0 HG21 ILE A 18 5.225 -3.349 -11.394 1.00 1.42 H new ATOM 0 HG22 ILE A 18 6.838 -3.380 -10.643 1.00 1.42 H new ATOM 0 HG23 ILE A 18 6.275 -4.770 -11.601 1.00 1.42 H new ATOM 0 HD11 ILE A 18 2.185 -5.149 -10.861 1.00 1.39 H new ATOM 0 HD12 ILE A 18 2.762 -3.818 -9.830 1.00 1.39 H new ATOM 0 HD13 ILE A 18 3.420 -4.022 -11.471 1.00 1.39 H new ATOM 265 N PRO A 19 8.707 -4.600 -9.243 1.00 1.42 N ATOM 266 CA PRO A 19 9.876 -3.793 -8.840 1.00 1.41 C ATOM 267 C PRO A 19 9.689 -2.302 -9.098 1.00 1.34 C ATOM 268 O PRO A 19 8.898 -1.891 -9.948 1.00 1.33 O ATOM 269 CB PRO A 19 10.992 -4.366 -9.700 1.00 1.55 C ATOM 270 CG PRO A 19 10.335 -5.021 -10.907 1.00 1.63 C ATOM 271 CD PRO A 19 8.885 -5.333 -10.521 1.00 1.56 C ATOM 0 HA PRO A 19 10.068 -3.851 -7.769 1.00 1.41 H new ATOM 0 HB2 PRO A 19 11.678 -3.580 -10.014 1.00 1.55 H new ATOM 0 HB3 PRO A 19 11.577 -5.094 -9.138 1.00 1.55 H new ATOM 0 HG2 PRO A 19 10.369 -4.357 -11.771 1.00 1.63 H new ATOM 0 HG3 PRO A 19 10.864 -5.933 -11.185 1.00 1.63 H new ATOM 0 HD2 PRO A 19 8.184 -4.991 -11.282 1.00 1.56 H new ATOM 0 HD3 PRO A 19 8.723 -6.404 -10.397 1.00 1.56 H new ATOM 279 N LEU A 20 10.423 -1.502 -8.335 1.00 1.32 N ATOM 280 CA LEU A 20 10.340 -0.048 -8.454 1.00 1.31 C ATOM 281 C LEU A 20 11.176 0.462 -9.624 1.00 1.40 C ATOM 282 O LEU A 20 10.706 1.251 -10.445 1.00 1.43 O ATOM 283 CB LEU A 20 10.833 0.617 -7.167 1.00 1.31 C ATOM 284 CG LEU A 20 10.076 0.041 -5.968 1.00 1.26 C ATOM 285 CD1 LEU A 20 10.663 0.608 -4.674 1.00 1.32 C ATOM 286 CD2 LEU A 20 8.597 0.424 -6.065 1.00 1.19 C ATOM 0 H LEU A 20 11.081 -1.832 -7.629 1.00 1.32 H new ATOM 0 HA LEU A 20 9.295 0.207 -8.629 1.00 1.31 H new ATOM 0 HB2 LEU A 20 11.904 0.451 -7.047 1.00 1.31 H new ATOM 0 HB3 LEU A 20 10.681 1.695 -7.222 1.00 1.31 H new ATOM 0 HG LEU A 20 10.172 -1.045 -5.967 1.00 1.26 H new ATOM 0 HD11 LEU A 20 10.124 0.198 -3.820 1.00 1.32 H new ATOM 0 HD12 LEU A 20 11.716 0.337 -4.603 1.00 1.32 H new ATOM 0 HD13 LEU A 20 10.567 1.694 -4.676 1.00 1.32 H new ATOM 0 HD21 LEU A 20 8.058 0.014 -5.211 1.00 1.19 H new ATOM 0 HD22 LEU A 20 8.502 1.510 -6.067 1.00 1.19 H new ATOM 0 HD23 LEU A 20 8.177 0.022 -6.987 1.00 1.19 H new ATOM 298 N GLN A 21 12.425 0.014 -9.683 1.00 1.48 N ATOM 299 CA GLN A 21 13.338 0.440 -10.745 1.00 1.59 C ATOM 300 C GLN A 21 12.754 0.165 -12.129 1.00 1.61 C ATOM 301 O GLN A 21 13.062 0.862 -13.096 1.00 1.69 O ATOM 302 CB GLN A 21 14.678 -0.287 -10.620 1.00 1.68 C ATOM 303 CG GLN A 21 15.707 0.378 -11.536 1.00 1.78 C ATOM 304 CD GLN A 21 17.085 -0.221 -11.275 1.00 1.91 C ATOM 305 OE1 GLN A 21 17.676 -0.842 -12.159 1.00 2.31 O ATOM 306 NE2 GLN A 21 17.636 -0.073 -10.102 1.00 2.28 N ATOM 0 H GLN A 21 12.830 -0.640 -9.014 1.00 1.48 H new ATOM 0 HA GLN A 21 13.486 1.514 -10.633 1.00 1.59 H new ATOM 0 HB2 GLN A 21 15.024 -0.259 -9.587 1.00 1.68 H new ATOM 0 HB3 GLN A 21 14.561 -1.337 -10.889 1.00 1.68 H new ATOM 0 HG2 GLN A 21 15.428 0.233 -12.580 1.00 1.78 H new ATOM 0 HG3 GLN A 21 15.727 1.453 -11.358 1.00 1.78 H new ATOM 0 HE21 GLN A 21 17.146 0.441 -9.370 1.00 2.28 H new ATOM 0 HE22 GLN A 21 18.556 -0.472 -9.917 1.00 2.28 H new ATOM 315 N ARG A 22 11.909 -0.856 -12.215 1.00 1.58 N ATOM 316 CA ARG A 22 11.290 -1.208 -13.490 1.00 1.64 C ATOM 317 C ARG A 22 9.971 -0.458 -13.697 1.00 1.57 C ATOM 318 O ARG A 22 9.441 -0.419 -14.807 1.00 1.65 O ATOM 319 CB ARG A 22 11.016 -2.711 -13.547 1.00 1.67 C ATOM 320 CG ARG A 22 11.016 -3.176 -15.005 1.00 1.81 C ATOM 321 CD ARG A 22 10.068 -4.365 -15.164 1.00 2.19 C ATOM 322 NE ARG A 22 10.798 -5.630 -15.035 1.00 2.69 N ATOM 323 CZ ARG A 22 10.253 -6.806 -15.377 1.00 3.31 C ATOM 324 NH1 ARG A 22 9.029 -6.878 -15.846 1.00 3.61 N ATOM 325 NH2 ARG A 22 10.951 -7.899 -15.241 1.00 4.07 N ATOM 0 H ARG A 22 11.639 -1.448 -11.430 1.00 1.58 H new ATOM 0 HA ARG A 22 11.985 -0.924 -14.280 1.00 1.64 H new ATOM 0 HB2 ARG A 22 11.776 -3.251 -12.982 1.00 1.67 H new ATOM 0 HB3 ARG A 22 10.055 -2.934 -13.083 1.00 1.67 H new ATOM 0 HG2 ARG A 22 10.705 -2.360 -15.657 1.00 1.81 H new ATOM 0 HG3 ARG A 22 12.024 -3.459 -15.307 1.00 1.81 H new ATOM 0 HD2 ARG A 22 9.283 -4.314 -14.410 1.00 2.19 H new ATOM 0 HD3 ARG A 22 9.579 -4.319 -16.137 1.00 2.19 H new ATOM 0 HE ARG A 22 11.752 -5.615 -14.673 1.00 2.69 H new ATOM 0 HH11 ARG A 22 8.474 -6.029 -15.956 1.00 3.61 H new ATOM 0 HH12 ARG A 22 8.633 -7.783 -16.100 1.00 3.61 H new ATOM 0 HH21 ARG A 22 11.903 -7.854 -14.877 1.00 4.07 H new ATOM 0 HH22 ARG A 22 10.545 -8.799 -15.498 1.00 4.07 H new ATOM 339 N LEU A 23 9.438 0.129 -12.622 1.00 1.46 N ATOM 340 CA LEU A 23 8.174 0.858 -12.716 1.00 1.41 C ATOM 341 C LEU A 23 8.351 2.169 -13.477 1.00 1.51 C ATOM 342 O LEU A 23 9.389 2.825 -13.388 1.00 1.58 O ATOM 343 CB LEU A 23 7.630 1.166 -11.315 1.00 1.30 C ATOM 344 CG LEU A 23 6.539 0.155 -10.951 1.00 1.21 C ATOM 345 CD1 LEU A 23 6.173 0.308 -9.469 1.00 1.12 C ATOM 346 CD2 LEU A 23 5.300 0.410 -11.813 1.00 1.22 C ATOM 0 H LEU A 23 9.855 0.114 -11.691 1.00 1.46 H new ATOM 0 HA LEU A 23 7.469 0.226 -13.256 1.00 1.41 H new ATOM 0 HB2 LEU A 23 8.437 1.124 -10.584 1.00 1.30 H new ATOM 0 HB3 LEU A 23 7.226 2.178 -11.286 1.00 1.30 H new ATOM 0 HG LEU A 23 6.905 -0.856 -11.131 1.00 1.21 H new ATOM 0 HD11 LEU A 23 5.396 -0.412 -9.210 1.00 1.12 H new ATOM 0 HD12 LEU A 23 7.056 0.126 -8.856 1.00 1.12 H new ATOM 0 HD13 LEU A 23 5.807 1.318 -9.287 1.00 1.12 H new ATOM 0 HD21 LEU A 23 4.523 -0.309 -11.555 1.00 1.22 H new ATOM 0 HD22 LEU A 23 4.933 1.421 -11.633 1.00 1.22 H new ATOM 0 HD23 LEU A 23 5.560 0.300 -12.866 1.00 1.22 H new ATOM 358 N GLU A 24 7.312 2.542 -14.219 1.00 1.55 N ATOM 359 CA GLU A 24 7.336 3.781 -14.992 1.00 1.66 C ATOM 360 C GLU A 24 6.253 4.736 -14.494 1.00 1.63 C ATOM 361 O GLU A 24 6.469 5.944 -14.391 1.00 1.71 O ATOM 362 CB GLU A 24 7.102 3.493 -16.477 1.00 1.79 C ATOM 363 CG GLU A 24 7.584 4.683 -17.310 1.00 2.10 C ATOM 364 CD GLU A 24 7.291 4.424 -18.784 1.00 2.48 C ATOM 365 OE1 GLU A 24 7.523 3.312 -19.227 1.00 3.03 O ATOM 366 OE2 GLU A 24 6.838 5.342 -19.447 1.00 2.89 O ATOM 0 H GLU A 24 6.447 2.008 -14.302 1.00 1.55 H new ATOM 0 HA GLU A 24 8.316 4.240 -14.864 1.00 1.66 H new ATOM 0 HB2 GLU A 24 7.636 2.589 -16.772 1.00 1.79 H new ATOM 0 HB3 GLU A 24 6.043 3.312 -16.661 1.00 1.79 H new ATOM 0 HG2 GLU A 24 7.084 5.595 -16.984 1.00 2.10 H new ATOM 0 HG3 GLU A 24 8.653 4.835 -17.162 1.00 2.10 H new ATOM 373 N SER A 25 5.085 4.178 -14.182 1.00 1.54 N ATOM 374 CA SER A 25 3.967 4.981 -13.691 1.00 1.52 C ATOM 375 C SER A 25 2.775 4.080 -13.384 1.00 1.41 C ATOM 376 O SER A 25 2.696 2.952 -13.869 1.00 1.40 O ATOM 377 CB SER A 25 3.553 6.021 -14.733 1.00 1.67 C ATOM 378 OG SER A 25 3.251 5.363 -15.957 1.00 2.07 O ATOM 0 H SER A 25 4.889 3.180 -14.260 1.00 1.54 H new ATOM 0 HA SER A 25 4.286 5.493 -12.783 1.00 1.52 H new ATOM 0 HB2 SER A 25 2.685 6.579 -14.382 1.00 1.67 H new ATOM 0 HB3 SER A 25 4.356 6.743 -14.883 1.00 1.67 H new ATOM 0 HG SER A 25 2.983 6.026 -16.627 1.00 2.07 H new ATOM 384 N TYR A 26 1.847 4.582 -12.570 1.00 1.39 N ATOM 385 CA TYR A 26 0.669 3.795 -12.212 1.00 1.30 C ATOM 386 C TYR A 26 -0.619 4.548 -12.562 1.00 1.36 C ATOM 387 O TYR A 26 -0.635 5.775 -12.650 1.00 1.44 O ATOM 388 CB TYR A 26 0.699 3.432 -10.711 1.00 1.15 C ATOM 389 CG TYR A 26 0.334 4.620 -9.840 1.00 1.13 C ATOM 390 CD1 TYR A 26 1.311 5.559 -9.492 1.00 1.57 C ATOM 391 CD2 TYR A 26 -0.980 4.771 -9.376 1.00 1.74 C ATOM 392 CE1 TYR A 26 0.976 6.651 -8.682 1.00 1.62 C ATOM 393 CE2 TYR A 26 -1.315 5.863 -8.567 1.00 1.73 C ATOM 394 CZ TYR A 26 -0.337 6.803 -8.219 1.00 1.19 C ATOM 395 OH TYR A 26 -0.667 7.878 -7.421 1.00 1.28 O ATOM 0 H TYR A 26 1.886 5.512 -12.153 1.00 1.39 H new ATOM 0 HA TYR A 26 0.686 2.872 -12.791 1.00 1.30 H new ATOM 0 HB2 TYR A 26 0.005 2.614 -10.520 1.00 1.15 H new ATOM 0 HB3 TYR A 26 1.693 3.075 -10.442 1.00 1.15 H new ATOM 0 HD1 TYR A 26 2.324 5.442 -9.848 1.00 1.57 H new ATOM 0 HD2 TYR A 26 -1.734 4.045 -9.643 1.00 1.74 H new ATOM 0 HE1 TYR A 26 1.730 7.376 -8.414 1.00 1.62 H new ATOM 0 HE2 TYR A 26 -2.328 5.981 -8.211 1.00 1.73 H new ATOM 0 HH TYR A 26 0.036 8.558 -7.481 1.00 1.28 H new ATOM 405 N ARG A 27 -1.693 3.790 -12.758 1.00 1.34 N ATOM 406 CA ARG A 27 -2.984 4.385 -13.095 1.00 1.42 C ATOM 407 C ARG A 27 -4.094 3.738 -12.273 1.00 1.32 C ATOM 408 O ARG A 27 -4.262 2.519 -12.282 1.00 1.29 O ATOM 409 CB ARG A 27 -3.288 4.197 -14.582 1.00 1.57 C ATOM 410 CG ARG A 27 -2.577 5.285 -15.390 1.00 1.91 C ATOM 411 CD ARG A 27 -3.309 6.616 -15.210 1.00 2.15 C ATOM 412 NE ARG A 27 -2.946 7.553 -16.276 1.00 2.51 N ATOM 413 CZ ARG A 27 -1.743 8.143 -16.328 1.00 2.96 C ATOM 414 NH1 ARG A 27 -0.829 7.904 -15.418 1.00 3.26 N ATOM 415 NH2 ARG A 27 -1.477 8.970 -17.301 1.00 3.60 N ATOM 0 H ARG A 27 -1.697 2.772 -12.691 1.00 1.34 H new ATOM 0 HA ARG A 27 -2.936 5.450 -12.869 1.00 1.42 H new ATOM 0 HB2 ARG A 27 -2.958 3.211 -14.910 1.00 1.57 H new ATOM 0 HB3 ARG A 27 -4.363 4.246 -14.753 1.00 1.57 H new ATOM 0 HG2 ARG A 27 -1.542 5.380 -15.061 1.00 1.91 H new ATOM 0 HG3 ARG A 27 -2.552 5.011 -16.445 1.00 1.91 H new ATOM 0 HD2 ARG A 27 -4.386 6.449 -15.217 1.00 2.15 H new ATOM 0 HD3 ARG A 27 -3.059 7.046 -14.240 1.00 2.15 H new ATOM 0 HE ARG A 27 -3.631 7.763 -17.002 1.00 2.51 H new ATOM 0 HH11 ARG A 27 -1.027 7.259 -14.653 1.00 3.26 H new ATOM 0 HH12 ARG A 27 0.080 8.363 -15.475 1.00 3.26 H new ATOM 0 HH21 ARG A 27 -2.181 9.163 -18.013 1.00 3.60 H new ATOM 0 HH22 ARG A 27 -0.565 9.424 -17.349 1.00 3.60 H new ATOM 429 N ARG A 28 -4.850 4.570 -11.562 1.00 1.31 N ATOM 430 CA ARG A 28 -5.944 4.069 -10.735 1.00 1.25 C ATOM 431 C ARG A 28 -7.289 4.373 -11.385 1.00 1.35 C ATOM 432 O ARG A 28 -7.444 5.369 -12.093 1.00 1.48 O ATOM 433 CB ARG A 28 -5.905 4.710 -9.346 1.00 1.26 C ATOM 434 CG ARG A 28 -6.926 4.025 -8.434 1.00 1.25 C ATOM 435 CD ARG A 28 -6.539 4.252 -6.973 1.00 1.52 C ATOM 436 NE ARG A 28 -7.195 5.452 -6.445 1.00 1.69 N ATOM 437 CZ ARG A 28 -8.502 5.478 -6.151 1.00 2.01 C ATOM 438 NH1 ARG A 28 -9.260 4.422 -6.324 1.00 2.51 N ATOM 439 NH2 ARG A 28 -9.032 6.577 -5.685 1.00 2.49 N ATOM 0 H ARG A 28 -4.728 5.582 -11.541 1.00 1.31 H new ATOM 0 HA ARG A 28 -5.823 2.990 -10.639 1.00 1.25 H new ATOM 0 HB2 ARG A 28 -4.905 4.620 -8.921 1.00 1.26 H new ATOM 0 HB3 ARG A 28 -6.125 5.775 -9.420 1.00 1.26 H new ATOM 0 HG2 ARG A 28 -7.923 4.423 -8.623 1.00 1.25 H new ATOM 0 HG3 ARG A 28 -6.963 2.957 -8.650 1.00 1.25 H new ATOM 0 HD2 ARG A 28 -6.822 3.384 -6.377 1.00 1.52 H new ATOM 0 HD3 ARG A 28 -5.457 4.356 -6.890 1.00 1.52 H new ATOM 0 HE ARG A 28 -6.639 6.294 -6.297 1.00 1.69 H new ATOM 0 HH11 ARG A 28 -8.857 3.559 -6.689 1.00 2.51 H new ATOM 0 HH12 ARG A 28 -10.253 4.464 -6.094 1.00 2.51 H new ATOM 0 HH21 ARG A 28 -8.452 7.405 -5.548 1.00 2.49 H new ATOM 0 HH22 ARG A 28 -10.026 6.608 -5.458 1.00 2.49 H new ATOM 453 N ILE A 29 -8.260 3.501 -11.136 1.00 1.33 N ATOM 454 CA ILE A 29 -9.594 3.675 -11.698 1.00 1.45 C ATOM 455 C ILE A 29 -10.628 3.787 -10.581 1.00 1.43 C ATOM 456 O ILE A 29 -10.574 3.059 -9.590 1.00 1.36 O ATOM 457 CB ILE A 29 -9.953 2.488 -12.595 1.00 1.51 C ATOM 458 CG1 ILE A 29 -8.846 2.276 -13.631 1.00 1.57 C ATOM 459 CG2 ILE A 29 -11.271 2.771 -13.314 1.00 1.67 C ATOM 460 CD1 ILE A 29 -9.122 0.993 -14.418 1.00 1.70 C ATOM 0 H ILE A 29 -8.150 2.672 -10.553 1.00 1.33 H new ATOM 0 HA ILE A 29 -9.597 4.590 -12.290 1.00 1.45 H new ATOM 0 HB ILE A 29 -10.057 1.592 -11.983 1.00 1.51 H new ATOM 0 HG12 ILE A 29 -8.800 3.128 -14.309 1.00 1.57 H new ATOM 0 HG13 ILE A 29 -7.877 2.210 -13.135 1.00 1.57 H new ATOM 0 HG21 ILE A 29 -11.526 1.925 -13.953 1.00 1.67 H new ATOM 0 HG22 ILE A 29 -12.061 2.922 -12.579 1.00 1.67 H new ATOM 0 HG23 ILE A 29 -11.167 3.668 -13.924 1.00 1.67 H new ATOM 0 HD11 ILE A 29 -8.334 0.842 -15.156 1.00 1.70 H new ATOM 0 HD12 ILE A 29 -9.146 0.145 -13.734 1.00 1.70 H new ATOM 0 HD13 ILE A 29 -10.083 1.077 -14.926 1.00 1.70 H new ATOM 472 N THR A 30 -11.572 4.709 -10.754 1.00 1.59 N ATOM 473 CA THR A 30 -12.618 4.910 -9.756 1.00 1.64 C ATOM 474 C THR A 30 -13.809 5.646 -10.369 1.00 1.87 C ATOM 475 O THR A 30 -14.518 6.386 -9.687 1.00 2.31 O ATOM 476 CB THR A 30 -12.081 5.720 -8.573 1.00 1.74 C ATOM 477 OG1 THR A 30 -13.138 5.989 -7.661 1.00 2.30 O ATOM 478 CG2 THR A 30 -11.492 7.039 -9.078 1.00 2.22 C ATOM 0 H THR A 30 -11.634 5.322 -11.567 1.00 1.59 H new ATOM 0 HA THR A 30 -12.941 3.930 -9.406 1.00 1.64 H new ATOM 0 HB THR A 30 -11.303 5.148 -8.067 1.00 1.74 H new ATOM 0 HG1 THR A 30 -13.849 6.482 -8.121 1.00 2.30 H new ATOM 0 HG21 THR A 30 -11.110 7.614 -8.234 1.00 2.22 H new ATOM 0 HG22 THR A 30 -10.679 6.832 -9.773 1.00 2.22 H new ATOM 0 HG23 THR A 30 -12.267 7.612 -9.587 1.00 2.22 H new ATOM 486 N SER A 31 -14.021 5.435 -11.666 1.00 2.05 N ATOM 487 CA SER A 31 -15.124 6.081 -12.362 1.00 2.29 C ATOM 488 C SER A 31 -16.387 5.234 -12.261 1.00 2.24 C ATOM 489 O SER A 31 -16.422 4.225 -11.556 1.00 2.70 O ATOM 490 CB SER A 31 -14.779 6.289 -13.837 1.00 3.07 C ATOM 491 OG SER A 31 -15.623 7.296 -14.378 1.00 3.47 O ATOM 0 H SER A 31 -13.447 4.826 -12.250 1.00 2.05 H new ATOM 0 HA SER A 31 -15.297 7.049 -11.891 1.00 2.29 H new ATOM 0 HB2 SER A 31 -13.734 6.580 -13.941 1.00 3.07 H new ATOM 0 HB3 SER A 31 -14.906 5.357 -14.387 1.00 3.07 H new ATOM 0 HG SER A 31 -15.404 7.434 -15.323 1.00 3.47 H new ATOM 497 N GLY A 32 -17.427 5.655 -12.976 1.00 2.23 N ATOM 498 CA GLY A 32 -18.693 4.927 -12.962 1.00 2.54 C ATOM 499 C GLY A 32 -18.844 4.079 -14.221 1.00 2.44 C ATOM 500 O GLY A 32 -19.954 3.847 -14.700 1.00 2.68 O ATOM 0 H GLY A 32 -17.420 6.487 -13.566 1.00 2.23 H new ATOM 0 HA2 GLY A 32 -18.741 4.288 -12.080 1.00 2.54 H new ATOM 0 HA3 GLY A 32 -19.522 5.631 -12.891 1.00 2.54 H new ATOM 504 N LYS A 33 -17.713 3.620 -14.753 1.00 2.37 N ATOM 505 CA LYS A 33 -17.730 2.798 -15.960 1.00 2.49 C ATOM 506 C LYS A 33 -17.301 1.370 -15.638 1.00 2.30 C ATOM 507 O LYS A 33 -17.811 0.408 -16.214 1.00 2.48 O ATOM 508 CB LYS A 33 -16.786 3.376 -17.015 1.00 2.87 C ATOM 509 CG LYS A 33 -17.485 4.520 -17.754 1.00 3.62 C ATOM 510 CD LYS A 33 -16.437 5.498 -18.289 1.00 4.07 C ATOM 511 CE LYS A 33 -16.998 6.229 -19.509 1.00 4.74 C ATOM 512 NZ LYS A 33 -17.051 5.292 -20.668 1.00 5.35 N ATOM 0 H LYS A 33 -16.784 3.801 -14.373 1.00 2.37 H new ATOM 0 HA LYS A 33 -18.748 2.793 -16.349 1.00 2.49 H new ATOM 0 HB2 LYS A 33 -15.873 3.738 -16.542 1.00 2.87 H new ATOM 0 HB3 LYS A 33 -16.492 2.599 -17.721 1.00 2.87 H new ATOM 0 HG2 LYS A 33 -18.082 4.125 -18.576 1.00 3.62 H new ATOM 0 HG3 LYS A 33 -18.170 5.036 -17.082 1.00 3.62 H new ATOM 0 HD2 LYS A 33 -16.165 6.216 -17.515 1.00 4.07 H new ATOM 0 HD3 LYS A 33 -15.528 4.961 -18.560 1.00 4.07 H new ATOM 0 HE2 LYS A 33 -17.995 6.611 -19.291 1.00 4.74 H new ATOM 0 HE3 LYS A 33 -16.373 7.089 -19.751 1.00 4.74 H new ATOM 0 HZ1 LYS A 33 -16.997 5.833 -21.555 1.00 5.35 H new ATOM 0 HZ2 LYS A 33 -16.250 4.631 -20.617 1.00 5.35 H new ATOM 0 HZ3 LYS A 33 -17.943 4.758 -20.642 1.00 5.35 H new ATOM 526 N CYS A 34 -16.359 1.243 -14.709 1.00 2.10 N ATOM 527 CA CYS A 34 -15.866 -0.073 -14.313 1.00 1.97 C ATOM 528 C CYS A 34 -16.749 -0.665 -13.210 1.00 2.00 C ATOM 529 O CYS A 34 -17.430 0.070 -12.496 1.00 2.06 O ATOM 530 CB CYS A 34 -14.427 0.024 -13.801 1.00 1.79 C ATOM 531 SG CYS A 34 -13.280 0.011 -15.203 1.00 1.82 S ATOM 0 H CYS A 34 -15.925 2.026 -14.220 1.00 2.10 H new ATOM 0 HA CYS A 34 -15.895 -0.720 -15.190 1.00 1.97 H new ATOM 0 HB2 CYS A 34 -14.298 0.938 -13.221 1.00 1.79 H new ATOM 0 HB3 CYS A 34 -14.211 -0.810 -13.134 1.00 1.79 H new ATOM 536 N PRO A 35 -16.749 -2.000 -13.052 1.00 2.03 N ATOM 537 CA PRO A 35 -17.566 -2.661 -12.018 1.00 2.12 C ATOM 538 C PRO A 35 -16.897 -2.651 -10.645 1.00 1.98 C ATOM 539 O PRO A 35 -17.566 -2.690 -9.611 1.00 2.08 O ATOM 540 CB PRO A 35 -17.679 -4.083 -12.553 1.00 2.27 C ATOM 541 CG PRO A 35 -16.489 -4.310 -13.479 1.00 2.22 C ATOM 542 CD PRO A 35 -15.950 -2.933 -13.881 1.00 2.06 C ATOM 0 HA PRO A 35 -18.522 -2.163 -11.858 1.00 2.12 H new ATOM 0 HB2 PRO A 35 -17.674 -4.804 -11.735 1.00 2.27 H new ATOM 0 HB3 PRO A 35 -18.617 -4.219 -13.091 1.00 2.27 H new ATOM 0 HG2 PRO A 35 -15.717 -4.892 -12.976 1.00 2.22 H new ATOM 0 HG3 PRO A 35 -16.791 -4.876 -14.360 1.00 2.22 H new ATOM 0 HD2 PRO A 35 -14.884 -2.842 -13.675 1.00 2.06 H new ATOM 0 HD3 PRO A 35 -16.086 -2.743 -14.946 1.00 2.06 H new ATOM 550 N GLN A 36 -15.568 -2.600 -10.646 1.00 1.80 N ATOM 551 CA GLN A 36 -14.814 -2.586 -9.395 1.00 1.69 C ATOM 552 C GLN A 36 -13.559 -1.730 -9.538 1.00 1.54 C ATOM 553 O GLN A 36 -12.808 -1.859 -10.505 1.00 1.55 O ATOM 554 CB GLN A 36 -14.406 -4.006 -8.997 1.00 1.77 C ATOM 555 CG GLN A 36 -13.688 -4.682 -10.169 1.00 1.97 C ATOM 556 CD GLN A 36 -13.309 -6.106 -9.781 1.00 2.66 C ATOM 557 OE1 GLN A 36 -12.261 -6.334 -9.177 1.00 3.13 O ATOM 558 NE2 GLN A 36 -14.109 -7.088 -10.094 1.00 3.28 N ATOM 0 H GLN A 36 -14.995 -2.568 -11.489 1.00 1.80 H new ATOM 0 HA GLN A 36 -15.456 -2.164 -8.622 1.00 1.69 H new ATOM 0 HB2 GLN A 36 -13.752 -3.977 -8.125 1.00 1.77 H new ATOM 0 HB3 GLN A 36 -15.287 -4.583 -8.716 1.00 1.77 H new ATOM 0 HG2 GLN A 36 -14.334 -4.693 -11.047 1.00 1.97 H new ATOM 0 HG3 GLN A 36 -12.795 -4.117 -10.437 1.00 1.97 H new ATOM 0 HE21 GLN A 36 -14.977 -6.899 -10.594 1.00 3.28 H new ATOM 0 HE22 GLN A 36 -13.866 -8.045 -9.838 1.00 3.28 H new ATOM 567 N LYS A 37 -13.340 -0.855 -8.560 1.00 1.47 N ATOM 568 CA LYS A 37 -12.171 0.021 -8.581 1.00 1.36 C ATOM 569 C LYS A 37 -10.894 -0.794 -8.408 1.00 1.24 C ATOM 570 O LYS A 37 -10.918 -1.908 -7.885 1.00 1.26 O ATOM 571 CB LYS A 37 -12.257 1.056 -7.457 1.00 1.41 C ATOM 572 CG LYS A 37 -13.596 1.791 -7.539 1.00 2.00 C ATOM 573 CD LYS A 37 -13.610 2.940 -6.528 1.00 2.27 C ATOM 574 CE LYS A 37 -15.031 3.134 -5.996 1.00 2.94 C ATOM 575 NZ LYS A 37 -14.977 3.808 -4.668 1.00 3.31 N ATOM 0 H LYS A 37 -13.949 -0.734 -7.751 1.00 1.47 H new ATOM 0 HA LYS A 37 -12.150 0.532 -9.544 1.00 1.36 H new ATOM 0 HB2 LYS A 37 -12.158 0.565 -6.489 1.00 1.41 H new ATOM 0 HB3 LYS A 37 -11.435 1.767 -7.539 1.00 1.41 H new ATOM 0 HG2 LYS A 37 -13.750 2.177 -8.547 1.00 2.00 H new ATOM 0 HG3 LYS A 37 -14.415 1.101 -7.333 1.00 2.00 H new ATOM 0 HD2 LYS A 37 -12.929 2.723 -5.705 1.00 2.27 H new ATOM 0 HD3 LYS A 37 -13.258 3.858 -6.999 1.00 2.27 H new ATOM 0 HE2 LYS A 37 -15.614 3.732 -6.696 1.00 2.94 H new ATOM 0 HE3 LYS A 37 -15.532 2.170 -5.906 1.00 2.94 H new ATOM 0 HZ1 LYS A 37 -15.943 3.940 -4.306 1.00 3.31 H new ATOM 0 HZ2 LYS A 37 -14.435 3.221 -4.002 1.00 3.31 H new ATOM 0 HZ3 LYS A 37 -14.515 4.734 -4.767 1.00 3.31 H new ATOM 589 N ALA A 38 -9.777 -0.226 -8.854 1.00 1.19 N ATOM 590 CA ALA A 38 -8.490 -0.909 -8.744 1.00 1.12 C ATOM 591 C ALA A 38 -7.370 -0.028 -9.288 1.00 1.08 C ATOM 592 O ALA A 38 -7.600 1.105 -9.712 1.00 1.13 O ATOM 593 CB ALA A 38 -8.511 -2.222 -9.527 1.00 1.22 C ATOM 0 H ALA A 38 -9.735 0.695 -9.290 1.00 1.19 H new ATOM 0 HA ALA A 38 -8.311 -1.117 -7.689 1.00 1.12 H new ATOM 0 HB1 ALA A 38 -7.544 -2.717 -9.434 1.00 1.22 H new ATOM 0 HB2 ALA A 38 -9.291 -2.871 -9.128 1.00 1.22 H new ATOM 0 HB3 ALA A 38 -8.713 -2.016 -10.578 1.00 1.22 H new ATOM 599 N VAL A 39 -6.153 -0.564 -9.273 1.00 1.06 N ATOM 600 CA VAL A 39 -4.997 0.177 -9.769 1.00 1.05 C ATOM 601 C VAL A 39 -4.290 -0.618 -10.862 1.00 1.10 C ATOM 602 O VAL A 39 -4.415 -1.839 -10.948 1.00 1.14 O ATOM 603 CB VAL A 39 -4.003 0.457 -8.634 1.00 0.95 C ATOM 604 CG1 VAL A 39 -2.844 1.318 -9.150 1.00 0.89 C ATOM 605 CG2 VAL A 39 -4.715 1.204 -7.508 1.00 0.98 C ATOM 0 H VAL A 39 -5.942 -1.500 -8.926 1.00 1.06 H new ATOM 0 HA VAL A 39 -5.354 1.123 -10.175 1.00 1.05 H new ATOM 0 HB VAL A 39 -3.612 -0.491 -8.264 1.00 0.95 H new ATOM 0 HG11 VAL A 39 -2.144 1.511 -8.337 1.00 0.89 H new ATOM 0 HG12 VAL A 39 -2.330 0.792 -9.954 1.00 0.89 H new ATOM 0 HG13 VAL A 39 -3.233 2.264 -9.526 1.00 0.89 H new ATOM 0 HG21 VAL A 39 -4.010 1.404 -6.701 1.00 0.98 H new ATOM 0 HG22 VAL A 39 -5.108 2.147 -7.888 1.00 0.98 H new ATOM 0 HG23 VAL A 39 -5.536 0.595 -7.130 1.00 0.98 H new ATOM 615 N ILE A 40 -3.533 0.097 -11.684 1.00 1.16 N ATOM 616 CA ILE A 40 -2.785 -0.535 -12.766 1.00 1.25 C ATOM 617 C ILE A 40 -1.358 -0.004 -12.776 1.00 1.21 C ATOM 618 O ILE A 40 -1.131 1.205 -12.734 1.00 1.20 O ATOM 619 CB ILE A 40 -3.431 -0.254 -14.125 1.00 1.40 C ATOM 620 CG1 ILE A 40 -4.935 -0.548 -14.056 1.00 1.45 C ATOM 621 CG2 ILE A 40 -2.785 -1.152 -15.182 1.00 1.53 C ATOM 622 CD1 ILE A 40 -5.701 0.752 -13.810 1.00 1.73 C ATOM 0 H ILE A 40 -3.420 1.109 -11.624 1.00 1.16 H new ATOM 0 HA ILE A 40 -2.788 -1.612 -12.595 1.00 1.25 H new ATOM 0 HB ILE A 40 -3.283 0.793 -14.388 1.00 1.40 H new ATOM 0 HG12 ILE A 40 -5.269 -1.008 -14.986 1.00 1.45 H new ATOM 0 HG13 ILE A 40 -5.140 -1.260 -13.256 1.00 1.45 H new ATOM 0 HG21 ILE A 40 -3.241 -0.957 -16.153 1.00 1.53 H new ATOM 0 HG22 ILE A 40 -1.717 -0.942 -15.234 1.00 1.53 H new ATOM 0 HG23 ILE A 40 -2.937 -2.197 -14.913 1.00 1.53 H new ATOM 0 HD11 ILE A 40 -6.769 0.541 -13.761 1.00 1.73 H new ATOM 0 HD12 ILE A 40 -5.375 1.194 -12.868 1.00 1.73 H new ATOM 0 HD13 ILE A 40 -5.506 1.449 -14.625 1.00 1.73 H new ATOM 634 N PHE A 41 -0.396 -0.917 -12.820 1.00 1.24 N ATOM 635 CA PHE A 41 1.007 -0.520 -12.818 1.00 1.23 C ATOM 636 C PHE A 41 1.649 -0.774 -14.175 1.00 1.38 C ATOM 637 O PHE A 41 1.295 -1.715 -14.884 1.00 1.49 O ATOM 638 CB PHE A 41 1.779 -1.296 -11.753 1.00 1.17 C ATOM 639 CG PHE A 41 1.456 -0.727 -10.394 1.00 1.03 C ATOM 640 CD1 PHE A 41 1.692 0.625 -10.134 1.00 1.01 C ATOM 641 CD2 PHE A 41 0.918 -1.548 -9.397 1.00 0.96 C ATOM 642 CE1 PHE A 41 1.389 1.161 -8.877 1.00 0.93 C ATOM 643 CE2 PHE A 41 0.616 -1.015 -8.139 1.00 0.87 C ATOM 644 CZ PHE A 41 0.851 0.341 -7.879 1.00 0.85 C ATOM 0 H PHE A 41 -0.557 -1.924 -12.857 1.00 1.24 H new ATOM 0 HA PHE A 41 1.046 0.547 -12.598 1.00 1.23 H new ATOM 0 HB2 PHE A 41 1.513 -2.352 -11.791 1.00 1.17 H new ATOM 0 HB3 PHE A 41 2.850 -1.230 -11.943 1.00 1.17 H new ATOM 0 HD1 PHE A 41 2.109 1.258 -10.904 1.00 1.01 H new ATOM 0 HD2 PHE A 41 0.736 -2.593 -9.598 1.00 0.96 H new ATOM 0 HE1 PHE A 41 1.570 2.207 -8.678 1.00 0.93 H new ATOM 0 HE2 PHE A 41 0.202 -1.649 -7.369 1.00 0.87 H new ATOM 0 HZ PHE A 41 0.617 0.754 -6.909 1.00 0.85 H new ATOM 654 N LYS A 42 2.608 0.076 -14.517 1.00 1.40 N ATOM 655 CA LYS A 42 3.318 -0.054 -15.783 1.00 1.55 C ATOM 656 C LYS A 42 4.818 -0.048 -15.534 1.00 1.55 C ATOM 657 O LYS A 42 5.327 0.715 -14.714 1.00 1.50 O ATOM 658 CB LYS A 42 2.955 1.092 -16.729 1.00 1.64 C ATOM 659 CG LYS A 42 3.593 0.859 -18.102 1.00 2.00 C ATOM 660 CD LYS A 42 3.936 2.206 -18.741 1.00 2.06 C ATOM 661 CE LYS A 42 4.762 1.974 -20.007 1.00 2.75 C ATOM 662 NZ LYS A 42 3.849 1.770 -21.167 1.00 2.95 N ATOM 0 H LYS A 42 2.911 0.860 -13.939 1.00 1.40 H new ATOM 0 HA LYS A 42 3.025 -0.996 -16.246 1.00 1.55 H new ATOM 0 HB2 LYS A 42 1.872 1.163 -16.829 1.00 1.64 H new ATOM 0 HB3 LYS A 42 3.299 2.040 -16.315 1.00 1.64 H new ATOM 0 HG2 LYS A 42 4.494 0.254 -17.998 1.00 2.00 H new ATOM 0 HG3 LYS A 42 2.908 0.304 -18.743 1.00 2.00 H new ATOM 0 HD2 LYS A 42 3.022 2.748 -18.984 1.00 2.06 H new ATOM 0 HD3 LYS A 42 4.495 2.823 -18.037 1.00 2.06 H new ATOM 0 HE2 LYS A 42 5.414 2.828 -20.190 1.00 2.75 H new ATOM 0 HE3 LYS A 42 5.405 1.103 -19.880 1.00 2.75 H new ATOM 0 HZ1 LYS A 42 4.361 1.965 -22.051 1.00 2.95 H new ATOM 0 HZ2 LYS A 42 3.510 0.787 -21.173 1.00 2.95 H new ATOM 0 HZ3 LYS A 42 3.037 2.415 -21.088 1.00 2.95 H new ATOM 676 N THR A 43 5.514 -0.912 -16.252 1.00 1.64 N ATOM 677 CA THR A 43 6.963 -1.013 -16.109 1.00 1.67 C ATOM 678 C THR A 43 7.655 -0.234 -17.227 1.00 1.80 C ATOM 679 O THR A 43 7.024 0.557 -17.928 1.00 1.84 O ATOM 680 CB THR A 43 7.405 -2.482 -16.160 1.00 1.74 C ATOM 681 OG1 THR A 43 7.223 -2.983 -17.477 1.00 1.89 O ATOM 682 CG2 THR A 43 6.569 -3.309 -15.179 1.00 1.67 C ATOM 0 H THR A 43 5.107 -1.551 -16.936 1.00 1.64 H new ATOM 0 HA THR A 43 7.245 -0.590 -15.145 1.00 1.67 H new ATOM 0 HB THR A 43 8.457 -2.552 -15.883 1.00 1.74 H new ATOM 0 HG1 THR A 43 7.506 -3.921 -17.512 1.00 1.89 H new ATOM 0 HG21 THR A 43 6.886 -4.351 -15.219 1.00 1.67 H new ATOM 0 HG22 THR A 43 6.709 -2.925 -14.168 1.00 1.67 H new ATOM 0 HG23 THR A 43 5.516 -3.240 -15.451 1.00 1.67 H new ATOM 690 N LYS A 44 8.958 -0.462 -17.389 1.00 1.88 N ATOM 691 CA LYS A 44 9.716 0.228 -18.429 1.00 2.01 C ATOM 692 C LYS A 44 9.853 -0.648 -19.674 1.00 2.17 C ATOM 693 O LYS A 44 10.826 -0.537 -20.421 1.00 2.32 O ATOM 694 CB LYS A 44 11.113 0.589 -17.919 1.00 2.03 C ATOM 695 CG LYS A 44 11.679 1.742 -18.751 1.00 2.23 C ATOM 696 CD LYS A 44 13.195 1.582 -18.883 1.00 2.47 C ATOM 697 CE LYS A 44 13.849 1.751 -17.511 1.00 2.77 C ATOM 698 NZ LYS A 44 15.214 1.154 -17.535 1.00 3.19 N ATOM 0 H LYS A 44 9.504 -1.110 -16.821 1.00 1.88 H new ATOM 0 HA LYS A 44 9.173 1.137 -18.688 1.00 2.01 H new ATOM 0 HB2 LYS A 44 11.065 0.874 -16.868 1.00 2.03 H new ATOM 0 HB3 LYS A 44 11.771 -0.278 -17.985 1.00 2.03 H new ATOM 0 HG2 LYS A 44 11.217 1.753 -19.738 1.00 2.23 H new ATOM 0 HG3 LYS A 44 11.443 2.695 -18.278 1.00 2.23 H new ATOM 0 HD2 LYS A 44 13.433 0.600 -19.292 1.00 2.47 H new ATOM 0 HD3 LYS A 44 13.590 2.322 -19.579 1.00 2.47 H new ATOM 0 HE2 LYS A 44 13.907 2.808 -17.252 1.00 2.77 H new ATOM 0 HE3 LYS A 44 13.242 1.268 -16.745 1.00 2.77 H new ATOM 0 HZ1 LYS A 44 15.659 1.269 -16.602 1.00 3.19 H new ATOM 0 HZ2 LYS A 44 15.146 0.142 -17.764 1.00 3.19 H new ATOM 0 HZ3 LYS A 44 15.790 1.634 -18.255 1.00 3.19 H new ATOM 712 N LEU A 45 8.869 -1.519 -19.891 1.00 2.17 N ATOM 713 CA LEU A 45 8.891 -2.406 -21.049 1.00 2.34 C ATOM 714 C LEU A 45 7.596 -2.282 -21.857 1.00 2.39 C ATOM 715 O LEU A 45 7.235 -3.185 -22.612 1.00 2.52 O ATOM 716 CB LEU A 45 9.051 -3.855 -20.589 1.00 2.37 C ATOM 717 CG LEU A 45 10.530 -4.243 -20.613 1.00 2.46 C ATOM 718 CD1 LEU A 45 10.774 -5.386 -19.625 1.00 2.44 C ATOM 719 CD2 LEU A 45 10.915 -4.700 -22.022 1.00 2.68 C ATOM 0 H LEU A 45 8.055 -1.628 -19.286 1.00 2.17 H new ATOM 0 HA LEU A 45 9.732 -2.118 -21.680 1.00 2.34 H new ATOM 0 HB2 LEU A 45 8.650 -3.973 -19.582 1.00 2.37 H new ATOM 0 HB3 LEU A 45 8.480 -4.518 -21.239 1.00 2.37 H new ATOM 0 HG LEU A 45 11.135 -3.381 -20.331 1.00 2.46 H new ATOM 0 HD11 LEU A 45 11.828 -5.663 -19.642 1.00 2.44 H new ATOM 0 HD12 LEU A 45 10.500 -5.064 -18.621 1.00 2.44 H new ATOM 0 HD13 LEU A 45 10.168 -6.247 -19.908 1.00 2.44 H new ATOM 0 HD21 LEU A 45 11.969 -4.977 -22.039 1.00 2.68 H new ATOM 0 HD22 LEU A 45 10.309 -5.561 -22.303 1.00 2.68 H new ATOM 0 HD23 LEU A 45 10.741 -3.888 -22.728 1.00 2.68 H new ATOM 731 N ALA A 46 6.899 -1.158 -21.692 1.00 2.31 N ATOM 732 CA ALA A 46 5.648 -0.933 -22.414 1.00 2.37 C ATOM 733 C ALA A 46 4.615 -1.995 -22.038 1.00 2.36 C ATOM 734 O ALA A 46 3.896 -2.517 -22.891 1.00 2.48 O ATOM 735 CB ALA A 46 5.886 -0.970 -23.927 1.00 2.57 C ATOM 0 H ALA A 46 7.176 -0.397 -21.072 1.00 2.31 H new ATOM 0 HA ALA A 46 5.270 0.051 -22.135 1.00 2.37 H new ATOM 0 HB1 ALA A 46 4.944 -0.801 -24.448 1.00 2.57 H new ATOM 0 HB2 ALA A 46 6.598 -0.192 -24.202 1.00 2.57 H new ATOM 0 HB3 ALA A 46 6.286 -1.944 -24.209 1.00 2.57 H new ATOM 741 N LYS A 47 4.547 -2.305 -20.746 1.00 2.22 N ATOM 742 CA LYS A 47 3.596 -3.304 -20.263 1.00 2.20 C ATOM 743 C LYS A 47 2.800 -2.754 -19.083 1.00 2.02 C ATOM 744 O LYS A 47 3.254 -1.857 -18.374 1.00 1.89 O ATOM 745 CB LYS A 47 4.327 -4.573 -19.821 1.00 2.26 C ATOM 746 CG LYS A 47 4.501 -5.507 -21.020 1.00 2.67 C ATOM 747 CD LYS A 47 3.266 -6.398 -21.157 1.00 2.87 C ATOM 748 CE LYS A 47 3.372 -7.227 -22.439 1.00 3.20 C ATOM 749 NZ LYS A 47 2.698 -6.504 -23.555 1.00 3.49 N ATOM 0 H LYS A 47 5.131 -1.886 -20.022 1.00 2.22 H new ATOM 0 HA LYS A 47 2.917 -3.544 -21.081 1.00 2.20 H new ATOM 0 HB2 LYS A 47 5.300 -4.317 -19.402 1.00 2.26 H new ATOM 0 HB3 LYS A 47 3.763 -5.075 -19.035 1.00 2.26 H new ATOM 0 HG2 LYS A 47 4.645 -4.925 -21.930 1.00 2.67 H new ATOM 0 HG3 LYS A 47 5.392 -6.121 -20.890 1.00 2.67 H new ATOM 0 HD2 LYS A 47 3.182 -7.056 -20.292 1.00 2.87 H new ATOM 0 HD3 LYS A 47 2.364 -5.786 -21.181 1.00 2.87 H new ATOM 0 HE2 LYS A 47 4.419 -7.403 -22.685 1.00 3.20 H new ATOM 0 HE3 LYS A 47 2.910 -8.203 -22.293 1.00 3.20 H new ATOM 0 HZ1 LYS A 47 2.770 -7.067 -24.427 1.00 3.49 H new ATOM 0 HZ2 LYS A 47 1.696 -6.358 -23.319 1.00 3.49 H new ATOM 0 HZ3 LYS A 47 3.158 -5.582 -23.699 1.00 3.49 H new ATOM 763 N ASP A 48 1.607 -3.304 -18.883 1.00 2.03 N ATOM 764 CA ASP A 48 0.749 -2.863 -17.784 1.00 1.88 C ATOM 765 C ASP A 48 0.244 -4.063 -16.990 1.00 1.86 C ATOM 766 O ASP A 48 0.022 -5.142 -17.540 1.00 2.00 O ATOM 767 CB ASP A 48 -0.452 -2.079 -18.319 1.00 1.92 C ATOM 768 CG ASP A 48 0.033 -0.964 -19.239 1.00 1.98 C ATOM 769 OD1 ASP A 48 0.651 -0.037 -18.741 1.00 2.27 O ATOM 770 OD2 ASP A 48 -0.219 -1.054 -20.430 1.00 2.28 O ATOM 0 H ASP A 48 1.213 -4.048 -19.459 1.00 2.03 H new ATOM 0 HA ASP A 48 1.341 -2.218 -17.135 1.00 1.88 H new ATOM 0 HB2 ASP A 48 -1.122 -2.746 -18.861 1.00 1.92 H new ATOM 0 HB3 ASP A 48 -1.023 -1.658 -17.491 1.00 1.92 H new ATOM 775 N ILE A 49 0.064 -3.861 -15.688 1.00 1.70 N ATOM 776 CA ILE A 49 -0.417 -4.933 -14.819 1.00 1.69 C ATOM 777 C ILE A 49 -1.481 -4.402 -13.862 1.00 1.56 C ATOM 778 O ILE A 49 -1.535 -3.206 -13.574 1.00 1.46 O ATOM 779 CB ILE A 49 0.736 -5.522 -14.001 1.00 1.66 C ATOM 780 CG1 ILE A 49 1.904 -5.892 -14.931 1.00 1.80 C ATOM 781 CG2 ILE A 49 0.254 -6.768 -13.251 1.00 1.71 C ATOM 782 CD1 ILE A 49 1.469 -6.956 -15.949 1.00 2.11 C ATOM 0 H ILE A 49 0.241 -2.975 -15.214 1.00 1.70 H new ATOM 0 HA ILE A 49 -0.846 -5.710 -15.451 1.00 1.69 H new ATOM 0 HB ILE A 49 1.078 -4.779 -13.280 1.00 1.66 H new ATOM 0 HG12 ILE A 49 2.255 -5.003 -15.454 1.00 1.80 H new ATOM 0 HG13 ILE A 49 2.741 -6.266 -14.341 1.00 1.80 H new ATOM 0 HG21 ILE A 49 1.077 -7.184 -12.670 1.00 1.71 H new ATOM 0 HG22 ILE A 49 -0.562 -6.497 -12.581 1.00 1.71 H new ATOM 0 HG23 ILE A 49 -0.097 -7.511 -13.967 1.00 1.71 H new ATOM 0 HD11 ILE A 49 2.309 -7.204 -16.598 1.00 2.11 H new ATOM 0 HD12 ILE A 49 1.141 -7.852 -15.421 1.00 2.11 H new ATOM 0 HD13 ILE A 49 0.648 -6.569 -16.552 1.00 2.11 H new ATOM 794 N CYS A 50 -2.325 -5.306 -13.374 1.00 1.60 N ATOM 795 CA CYS A 50 -3.385 -4.919 -12.447 1.00 1.51 C ATOM 796 C CYS A 50 -2.917 -5.091 -11.006 1.00 1.38 C ATOM 797 O CYS A 50 -2.201 -6.037 -10.678 1.00 1.44 O ATOM 798 CB CYS A 50 -4.633 -5.773 -12.672 1.00 1.63 C ATOM 799 SG CYS A 50 -5.258 -5.494 -14.347 1.00 1.82 S ATOM 0 H CYS A 50 -2.298 -6.300 -13.601 1.00 1.60 H new ATOM 0 HA CYS A 50 -3.627 -3.872 -12.629 1.00 1.51 H new ATOM 0 HB2 CYS A 50 -4.396 -6.828 -12.531 1.00 1.63 H new ATOM 0 HB3 CYS A 50 -5.399 -5.518 -11.939 1.00 1.63 H new ATOM 804 N ALA A 51 -3.327 -4.160 -10.148 1.00 1.23 N ATOM 805 CA ALA A 51 -2.941 -4.214 -8.740 1.00 1.13 C ATOM 806 C ALA A 51 -4.031 -3.615 -7.856 1.00 1.06 C ATOM 807 O ALA A 51 -4.780 -2.733 -8.276 1.00 1.05 O ATOM 808 CB ALA A 51 -1.641 -3.441 -8.516 1.00 1.03 C ATOM 0 H ALA A 51 -3.919 -3.368 -10.398 1.00 1.23 H new ATOM 0 HA ALA A 51 -2.797 -5.261 -8.474 1.00 1.13 H new ATOM 0 HB1 ALA A 51 -1.366 -3.490 -7.463 1.00 1.03 H new ATOM 0 HB2 ALA A 51 -0.847 -3.881 -9.119 1.00 1.03 H new ATOM 0 HB3 ALA A 51 -1.782 -2.400 -8.806 1.00 1.03 H new ATOM 814 N ASP A 52 -4.104 -4.107 -6.622 1.00 1.07 N ATOM 815 CA ASP A 52 -5.097 -3.618 -5.669 1.00 1.06 C ATOM 816 C ASP A 52 -4.462 -2.571 -4.746 1.00 0.96 C ATOM 817 O ASP A 52 -3.273 -2.658 -4.441 1.00 0.93 O ATOM 818 CB ASP A 52 -5.635 -4.781 -4.824 1.00 1.20 C ATOM 819 CG ASP A 52 -7.135 -4.613 -4.602 1.00 1.59 C ATOM 820 OD1 ASP A 52 -7.799 -4.119 -5.498 1.00 2.15 O ATOM 821 OD2 ASP A 52 -7.601 -4.983 -3.536 1.00 2.22 O ATOM 0 H ASP A 52 -3.492 -4.839 -6.260 1.00 1.07 H new ATOM 0 HA ASP A 52 -5.920 -3.165 -6.222 1.00 1.06 H new ATOM 0 HB2 ASP A 52 -5.437 -5.728 -5.326 1.00 1.20 H new ATOM 0 HB3 ASP A 52 -5.118 -4.814 -3.865 1.00 1.20 H new ATOM 826 N PRO A 53 -5.233 -1.570 -4.286 1.00 0.98 N ATOM 827 CA PRO A 53 -4.693 -0.524 -3.398 1.00 1.00 C ATOM 828 C PRO A 53 -4.588 -0.960 -1.931 1.00 1.09 C ATOM 829 O PRO A 53 -4.232 -0.161 -1.064 1.00 1.21 O ATOM 830 CB PRO A 53 -5.711 0.599 -3.560 1.00 1.10 C ATOM 831 CG PRO A 53 -7.015 -0.041 -4.019 1.00 1.13 C ATOM 832 CD PRO A 53 -6.671 -1.413 -4.608 1.00 1.07 C ATOM 0 HA PRO A 53 -3.671 -0.252 -3.660 1.00 1.00 H new ATOM 0 HB2 PRO A 53 -5.853 1.129 -2.618 1.00 1.10 H new ATOM 0 HB3 PRO A 53 -5.364 1.331 -4.289 1.00 1.10 H new ATOM 0 HG2 PRO A 53 -7.706 -0.145 -3.183 1.00 1.13 H new ATOM 0 HG3 PRO A 53 -7.508 0.584 -4.764 1.00 1.13 H new ATOM 0 HD2 PRO A 53 -7.272 -2.205 -4.161 1.00 1.07 H new ATOM 0 HD3 PRO A 53 -6.849 -1.446 -5.683 1.00 1.07 H new ATOM 840 N LYS A 54 -4.890 -2.230 -1.659 1.00 1.09 N ATOM 841 CA LYS A 54 -4.810 -2.740 -0.293 1.00 1.23 C ATOM 842 C LYS A 54 -3.639 -3.715 -0.144 1.00 1.25 C ATOM 843 O LYS A 54 -3.623 -4.543 0.767 1.00 1.42 O ATOM 844 CB LYS A 54 -6.106 -3.461 0.085 1.00 1.34 C ATOM 845 CG LYS A 54 -6.194 -3.591 1.607 1.00 1.87 C ATOM 846 CD LYS A 54 -6.865 -4.918 1.970 1.00 2.30 C ATOM 847 CE LYS A 54 -7.422 -4.837 3.392 1.00 2.83 C ATOM 848 NZ LYS A 54 -8.815 -4.309 3.350 1.00 3.39 N ATOM 0 H LYS A 54 -5.188 -2.914 -2.355 1.00 1.09 H new ATOM 0 HA LYS A 54 -4.657 -1.889 0.370 1.00 1.23 H new ATOM 0 HB2 LYS A 54 -6.966 -2.908 -0.293 1.00 1.34 H new ATOM 0 HB3 LYS A 54 -6.133 -4.448 -0.377 1.00 1.34 H new ATOM 0 HG2 LYS A 54 -5.197 -3.544 2.045 1.00 1.87 H new ATOM 0 HG3 LYS A 54 -6.763 -2.759 2.021 1.00 1.87 H new ATOM 0 HD2 LYS A 54 -7.668 -5.136 1.266 1.00 2.30 H new ATOM 0 HD3 LYS A 54 -6.146 -5.734 1.896 1.00 2.30 H new ATOM 0 HE2 LYS A 54 -7.409 -5.823 3.856 1.00 2.83 H new ATOM 0 HE3 LYS A 54 -6.794 -4.189 4.004 1.00 2.83 H new ATOM 0 HZ1 LYS A 54 -9.195 -4.254 4.317 1.00 3.39 H new ATOM 0 HZ2 LYS A 54 -8.814 -3.360 2.924 1.00 3.39 H new ATOM 0 HZ3 LYS A 54 -9.410 -4.944 2.780 1.00 3.39 H new ATOM 862 N LYS A 55 -2.658 -3.609 -1.041 1.00 1.14 N ATOM 863 CA LYS A 55 -1.495 -4.490 -0.985 1.00 1.19 C ATOM 864 C LYS A 55 -0.314 -3.767 -0.344 1.00 1.18 C ATOM 865 O LYS A 55 -0.353 -2.556 -0.125 1.00 1.12 O ATOM 866 CB LYS A 55 -1.099 -4.949 -2.390 1.00 1.15 C ATOM 867 CG LYS A 55 -1.815 -6.259 -2.721 1.00 1.31 C ATOM 868 CD LYS A 55 -1.150 -7.411 -1.966 1.00 1.80 C ATOM 869 CE LYS A 55 -1.477 -8.735 -2.661 1.00 2.02 C ATOM 870 NZ LYS A 55 -1.264 -9.862 -1.710 1.00 2.31 N ATOM 0 H LYS A 55 -2.646 -2.932 -1.804 1.00 1.14 H new ATOM 0 HA LYS A 55 -1.760 -5.360 -0.384 1.00 1.19 H new ATOM 0 HB2 LYS A 55 -1.361 -4.184 -3.121 1.00 1.15 H new ATOM 0 HB3 LYS A 55 -0.019 -5.088 -2.448 1.00 1.15 H new ATOM 0 HG2 LYS A 55 -2.867 -6.190 -2.446 1.00 1.31 H new ATOM 0 HG3 LYS A 55 -1.778 -6.445 -3.794 1.00 1.31 H new ATOM 0 HD2 LYS A 55 -0.071 -7.263 -1.933 1.00 1.80 H new ATOM 0 HD3 LYS A 55 -1.501 -7.434 -0.934 1.00 1.80 H new ATOM 0 HE2 LYS A 55 -2.510 -8.730 -3.009 1.00 2.02 H new ATOM 0 HE3 LYS A 55 -0.845 -8.862 -3.540 1.00 2.02 H new ATOM 0 HZ1 LYS A 55 -1.486 -10.762 -2.182 1.00 2.31 H new ATOM 0 HZ2 LYS A 55 -0.272 -9.870 -1.398 1.00 2.31 H new ATOM 0 HZ3 LYS A 55 -1.885 -9.742 -0.885 1.00 2.31 H new ATOM 884 N LYS A 56 0.736 -4.524 -0.040 1.00 1.29 N ATOM 885 CA LYS A 56 1.923 -3.948 0.580 1.00 1.34 C ATOM 886 C LYS A 56 2.854 -3.365 -0.475 1.00 1.24 C ATOM 887 O LYS A 56 3.428 -2.292 -0.289 1.00 1.23 O ATOM 888 CB LYS A 56 2.678 -5.009 1.382 1.00 1.51 C ATOM 889 CG LYS A 56 3.601 -4.326 2.392 1.00 2.15 C ATOM 890 CD LYS A 56 2.840 -4.086 3.698 1.00 2.42 C ATOM 891 CE LYS A 56 3.080 -5.258 4.650 1.00 3.16 C ATOM 892 NZ LYS A 56 2.521 -6.506 4.054 1.00 3.69 N ATOM 0 H LYS A 56 0.789 -5.528 -0.211 1.00 1.29 H new ATOM 0 HA LYS A 56 1.595 -3.152 1.249 1.00 1.34 H new ATOM 0 HB2 LYS A 56 1.972 -5.659 1.900 1.00 1.51 H new ATOM 0 HB3 LYS A 56 3.260 -5.641 0.711 1.00 1.51 H new ATOM 0 HG2 LYS A 56 4.477 -4.947 2.578 1.00 2.15 H new ATOM 0 HG3 LYS A 56 3.961 -3.379 1.989 1.00 2.15 H new ATOM 0 HD2 LYS A 56 3.171 -3.155 4.159 1.00 2.42 H new ATOM 0 HD3 LYS A 56 1.774 -3.980 3.496 1.00 2.42 H new ATOM 0 HE2 LYS A 56 4.148 -5.377 4.835 1.00 3.16 H new ATOM 0 HE3 LYS A 56 2.610 -5.060 5.613 1.00 3.16 H new ATOM 0 HZ1 LYS A 56 2.483 -7.250 4.779 1.00 3.69 H new ATOM 0 HZ2 LYS A 56 1.562 -6.321 3.697 1.00 3.69 H new ATOM 0 HZ3 LYS A 56 3.128 -6.818 3.269 1.00 3.69 H new ATOM 906 N TRP A 57 2.998 -4.079 -1.585 1.00 1.22 N ATOM 907 CA TRP A 57 3.865 -3.615 -2.658 1.00 1.16 C ATOM 908 C TRP A 57 3.146 -2.575 -3.516 1.00 1.02 C ATOM 909 O TRP A 57 3.778 -1.697 -4.104 1.00 0.98 O ATOM 910 CB TRP A 57 4.341 -4.780 -3.534 1.00 1.22 C ATOM 911 CG TRP A 57 3.178 -5.488 -4.152 1.00 1.22 C ATOM 912 CD1 TRP A 57 2.506 -6.518 -3.590 1.00 1.32 C ATOM 913 CD2 TRP A 57 2.553 -5.250 -5.446 1.00 1.16 C ATOM 914 NE1 TRP A 57 1.505 -6.923 -4.454 1.00 1.33 N ATOM 915 CE2 TRP A 57 1.493 -6.172 -5.611 1.00 1.24 C ATOM 916 CE3 TRP A 57 2.799 -4.329 -6.481 1.00 1.09 C ATOM 917 CZ2 TRP A 57 0.705 -6.182 -6.762 1.00 1.26 C ATOM 918 CZ3 TRP A 57 2.007 -4.336 -7.642 1.00 1.11 C ATOM 919 CH2 TRP A 57 0.963 -5.261 -7.782 1.00 1.20 C ATOM 0 H TRP A 57 2.532 -4.969 -1.764 1.00 1.22 H new ATOM 0 HA TRP A 57 4.740 -3.154 -2.200 1.00 1.16 H new ATOM 0 HB2 TRP A 57 5.003 -4.407 -4.316 1.00 1.22 H new ATOM 0 HB3 TRP A 57 4.921 -5.480 -2.933 1.00 1.22 H new ATOM 0 HD1 TRP A 57 2.717 -6.953 -2.624 1.00 1.32 H new ATOM 0 HE1 TRP A 57 0.855 -7.684 -4.259 1.00 1.33 H new ATOM 0 HE3 TRP A 57 3.601 -3.613 -6.383 1.00 1.09 H new ATOM 0 HZ2 TRP A 57 -0.099 -6.896 -6.865 1.00 1.26 H new ATOM 0 HZ3 TRP A 57 2.204 -3.625 -8.431 1.00 1.11 H new ATOM 0 HH2 TRP A 57 0.358 -5.262 -8.677 1.00 1.20 H new ATOM 930 N VAL A 58 1.817 -2.664 -3.566 1.00 0.97 N ATOM 931 CA VAL A 58 1.039 -1.701 -4.337 1.00 0.87 C ATOM 932 C VAL A 58 1.012 -0.370 -3.595 1.00 0.89 C ATOM 933 O VAL A 58 1.169 0.695 -4.190 1.00 0.88 O ATOM 934 CB VAL A 58 -0.403 -2.191 -4.551 1.00 0.86 C ATOM 935 CG1 VAL A 58 -1.191 -1.149 -5.361 1.00 0.81 C ATOM 936 CG2 VAL A 58 -0.386 -3.519 -5.314 1.00 0.93 C ATOM 0 H VAL A 58 1.267 -3.380 -3.091 1.00 0.97 H new ATOM 0 HA VAL A 58 1.509 -1.583 -5.313 1.00 0.87 H new ATOM 0 HB VAL A 58 -0.880 -2.333 -3.581 1.00 0.86 H new ATOM 0 HG11 VAL A 58 -2.212 -1.500 -5.510 1.00 0.81 H new ATOM 0 HG12 VAL A 58 -1.208 -0.204 -4.819 1.00 0.81 H new ATOM 0 HG13 VAL A 58 -0.712 -1.003 -6.329 1.00 0.81 H new ATOM 0 HG21 VAL A 58 -1.409 -3.865 -5.465 1.00 0.93 H new ATOM 0 HG22 VAL A 58 0.095 -3.377 -6.282 1.00 0.93 H new ATOM 0 HG23 VAL A 58 0.167 -4.262 -4.739 1.00 0.93 H new ATOM 946 N GLN A 59 0.817 -0.449 -2.281 1.00 0.99 N ATOM 947 CA GLN A 59 0.779 0.755 -1.457 1.00 1.08 C ATOM 948 C GLN A 59 2.120 1.466 -1.531 1.00 1.13 C ATOM 949 O GLN A 59 2.192 2.672 -1.773 1.00 1.21 O ATOM 950 CB GLN A 59 0.471 0.406 0.001 1.00 1.22 C ATOM 951 CG GLN A 59 -1.044 0.299 0.191 1.00 1.67 C ATOM 952 CD GLN A 59 -1.359 0.141 1.675 1.00 2.01 C ATOM 953 OE1 GLN A 59 -2.177 0.880 2.223 1.00 2.67 O ATOM 954 NE2 GLN A 59 -0.754 -0.787 2.363 1.00 2.31 N ATOM 0 H GLN A 59 0.685 -1.322 -1.770 1.00 0.99 H new ATOM 0 HA GLN A 59 -0.009 1.407 -1.835 1.00 1.08 H new ATOM 0 HB2 GLN A 59 0.949 -0.536 0.269 1.00 1.22 H new ATOM 0 HB3 GLN A 59 0.878 1.170 0.663 1.00 1.22 H new ATOM 0 HG2 GLN A 59 -1.535 1.189 -0.203 1.00 1.67 H new ATOM 0 HG3 GLN A 59 -1.432 -0.553 -0.367 1.00 1.67 H new ATOM 0 HE21 GLN A 59 -0.076 -1.399 1.908 1.00 2.31 H new ATOM 0 HE22 GLN A 59 -0.958 -0.901 3.356 1.00 2.31 H new ATOM 963 N ASP A 60 3.183 0.695 -1.345 1.00 1.13 N ATOM 964 CA ASP A 60 4.527 1.250 -1.420 1.00 1.20 C ATOM 965 C ASP A 60 4.799 1.720 -2.845 1.00 1.12 C ATOM 966 O ASP A 60 5.479 2.721 -3.070 1.00 1.20 O ATOM 967 CB ASP A 60 5.569 0.199 -1.023 1.00 1.26 C ATOM 968 CG ASP A 60 6.690 0.862 -0.228 1.00 1.41 C ATOM 969 OD1 ASP A 60 6.383 1.666 0.635 1.00 1.87 O ATOM 970 OD2 ASP A 60 7.841 0.555 -0.497 1.00 1.75 O ATOM 0 H ASP A 60 3.142 -0.304 -1.144 1.00 1.13 H new ATOM 0 HA ASP A 60 4.599 2.090 -0.729 1.00 1.20 H new ATOM 0 HB2 ASP A 60 5.101 -0.584 -0.427 1.00 1.26 H new ATOM 0 HB3 ASP A 60 5.976 -0.279 -1.914 1.00 1.26 H new ATOM 975 N SER A 61 4.245 0.980 -3.805 1.00 1.01 N ATOM 976 CA SER A 61 4.414 1.319 -5.211 1.00 0.96 C ATOM 977 C SER A 61 3.767 2.667 -5.506 1.00 0.98 C ATOM 978 O SER A 61 4.399 3.567 -6.060 1.00 1.05 O ATOM 979 CB SER A 61 3.777 0.252 -6.102 1.00 0.90 C ATOM 980 OG SER A 61 4.747 -0.741 -6.410 1.00 0.96 O ATOM 0 H SER A 61 3.680 0.148 -3.633 1.00 1.01 H new ATOM 0 HA SER A 61 5.482 1.370 -5.422 1.00 0.96 H new ATOM 0 HB2 SER A 61 2.925 -0.200 -5.595 1.00 0.90 H new ATOM 0 HB3 SER A 61 3.399 0.705 -7.019 1.00 0.90 H new ATOM 0 HG SER A 61 4.772 -1.408 -5.692 1.00 0.96 H new ATOM 986 N MET A 62 2.499 2.798 -5.124 1.00 0.97 N ATOM 987 CA MET A 62 1.774 4.047 -5.349 1.00 1.03 C ATOM 988 C MET A 62 2.465 5.202 -4.630 1.00 1.17 C ATOM 989 O MET A 62 2.622 6.290 -5.183 1.00 1.25 O ATOM 990 CB MET A 62 0.333 3.933 -4.846 1.00 1.03 C ATOM 991 CG MET A 62 -0.580 4.805 -5.710 1.00 1.58 C ATOM 992 SD MET A 62 -2.132 5.109 -4.830 1.00 1.92 S ATOM 993 CE MET A 62 -2.992 3.608 -5.363 1.00 1.85 C ATOM 0 H MET A 62 1.958 2.066 -4.663 1.00 0.97 H new ATOM 0 HA MET A 62 1.766 4.241 -6.422 1.00 1.03 H new ATOM 0 HB2 MET A 62 0.004 2.894 -4.884 1.00 1.03 H new ATOM 0 HB3 MET A 62 0.274 4.248 -3.804 1.00 1.03 H new ATOM 0 HG2 MET A 62 -0.088 5.750 -5.939 1.00 1.58 H new ATOM 0 HG3 MET A 62 -0.779 4.311 -6.661 1.00 1.58 H new ATOM 0 HE1 MET A 62 -3.991 3.588 -4.928 1.00 1.85 H new ATOM 0 HE2 MET A 62 -3.069 3.599 -6.450 1.00 1.85 H new ATOM 0 HE3 MET A 62 -2.434 2.732 -5.032 1.00 1.85 H new ATOM 1003 N LYS A 63 2.884 4.949 -3.394 1.00 1.24 N ATOM 1004 CA LYS A 63 3.568 5.974 -2.614 1.00 1.40 C ATOM 1005 C LYS A 63 4.905 6.307 -3.262 1.00 1.44 C ATOM 1006 O LYS A 63 5.310 7.468 -3.336 1.00 1.58 O ATOM 1007 CB LYS A 63 3.810 5.492 -1.183 1.00 1.47 C ATOM 1008 CG LYS A 63 2.616 5.874 -0.306 1.00 1.72 C ATOM 1009 CD LYS A 63 2.865 7.245 0.328 1.00 1.92 C ATOM 1010 CE LYS A 63 1.555 7.788 0.900 1.00 2.24 C ATOM 1011 NZ LYS A 63 1.737 9.216 1.287 1.00 2.73 N ATOM 0 H LYS A 63 2.764 4.056 -2.916 1.00 1.24 H new ATOM 0 HA LYS A 63 2.937 6.863 -2.587 1.00 1.40 H new ATOM 0 HB2 LYS A 63 3.952 4.411 -1.171 1.00 1.47 H new ATOM 0 HB3 LYS A 63 4.723 5.938 -0.787 1.00 1.47 H new ATOM 0 HG2 LYS A 63 1.705 5.898 -0.904 1.00 1.72 H new ATOM 0 HG3 LYS A 63 2.467 5.124 0.471 1.00 1.72 H new ATOM 0 HD2 LYS A 63 3.612 7.162 1.117 1.00 1.92 H new ATOM 0 HD3 LYS A 63 3.263 7.935 -0.416 1.00 1.92 H new ATOM 0 HE2 LYS A 63 0.758 7.699 0.161 1.00 2.24 H new ATOM 0 HE3 LYS A 63 1.253 7.201 1.767 1.00 2.24 H new ATOM 0 HZ1 LYS A 63 0.847 9.586 1.676 1.00 2.73 H new ATOM 0 HZ2 LYS A 63 2.485 9.288 2.005 1.00 2.73 H new ATOM 0 HZ3 LYS A 63 2.006 9.771 0.450 1.00 2.73 H new ATOM 1025 N TYR A 64 5.578 5.267 -3.740 1.00 1.34 N ATOM 1026 CA TYR A 64 6.868 5.436 -4.398 1.00 1.39 C ATOM 1027 C TYR A 64 6.688 6.256 -5.674 1.00 1.43 C ATOM 1028 O TYR A 64 7.389 7.242 -5.903 1.00 1.56 O ATOM 1029 CB TYR A 64 7.467 4.052 -4.725 1.00 1.30 C ATOM 1030 CG TYR A 64 8.694 4.179 -5.606 1.00 1.35 C ATOM 1031 CD1 TYR A 64 9.896 4.664 -5.080 1.00 1.43 C ATOM 1032 CD2 TYR A 64 8.618 3.808 -6.953 1.00 1.54 C ATOM 1033 CE1 TYR A 64 11.024 4.778 -5.903 1.00 1.50 C ATOM 1034 CE2 TYR A 64 9.743 3.922 -7.776 1.00 1.59 C ATOM 1035 CZ TYR A 64 10.947 4.406 -7.251 1.00 1.48 C ATOM 1036 OH TYR A 64 12.058 4.519 -8.062 1.00 1.57 O ATOM 0 H TYR A 64 5.254 4.302 -3.685 1.00 1.34 H new ATOM 0 HA TYR A 64 7.552 5.966 -3.735 1.00 1.39 H new ATOM 0 HB2 TYR A 64 7.732 3.540 -3.800 1.00 1.30 H new ATOM 0 HB3 TYR A 64 6.718 3.438 -5.226 1.00 1.30 H new ATOM 0 HD1 TYR A 64 9.954 4.950 -4.040 1.00 1.43 H new ATOM 0 HD2 TYR A 64 7.689 3.433 -7.358 1.00 1.54 H new ATOM 0 HE1 TYR A 64 11.953 5.153 -5.498 1.00 1.50 H new ATOM 0 HE2 TYR A 64 9.683 3.637 -8.816 1.00 1.59 H new ATOM 0 HH TYR A 64 11.834 4.218 -8.967 1.00 1.57 H new ATOM 1046 N LEU A 65 5.741 5.833 -6.500 1.00 1.34 N ATOM 1047 CA LEU A 65 5.473 6.527 -7.750 1.00 1.41 C ATOM 1048 C LEU A 65 4.961 7.932 -7.472 1.00 1.53 C ATOM 1049 O LEU A 65 5.339 8.895 -8.139 1.00 1.67 O ATOM 1050 CB LEU A 65 4.436 5.761 -8.567 1.00 1.32 C ATOM 1051 CG LEU A 65 5.092 4.510 -9.150 1.00 1.27 C ATOM 1052 CD1 LEU A 65 4.030 3.628 -9.803 1.00 1.21 C ATOM 1053 CD2 LEU A 65 6.124 4.929 -10.196 1.00 1.41 C ATOM 0 H LEU A 65 5.150 5.019 -6.329 1.00 1.34 H new ATOM 0 HA LEU A 65 6.402 6.589 -8.316 1.00 1.41 H new ATOM 0 HB2 LEU A 65 3.590 5.485 -7.938 1.00 1.32 H new ATOM 0 HB3 LEU A 65 4.047 6.390 -9.367 1.00 1.32 H new ATOM 0 HG LEU A 65 5.581 3.949 -8.354 1.00 1.27 H new ATOM 0 HD11 LEU A 65 4.502 2.737 -10.218 1.00 1.21 H new ATOM 0 HD12 LEU A 65 3.292 3.334 -9.057 1.00 1.21 H new ATOM 0 HD13 LEU A 65 3.537 4.183 -10.602 1.00 1.21 H new ATOM 0 HD21 LEU A 65 6.597 4.041 -10.617 1.00 1.41 H new ATOM 0 HD22 LEU A 65 5.630 5.488 -10.991 1.00 1.41 H new ATOM 0 HD23 LEU A 65 6.882 5.556 -9.728 1.00 1.41 H new ATOM 1065 N ASP A 66 4.100 8.035 -6.468 1.00 1.50 N ATOM 1066 CA ASP A 66 3.537 9.326 -6.086 1.00 1.63 C ATOM 1067 C ASP A 66 4.645 10.272 -5.633 1.00 1.79 C ATOM 1068 O ASP A 66 4.590 11.479 -5.873 1.00 1.95 O ATOM 1069 CB ASP A 66 2.529 9.157 -4.946 1.00 1.59 C ATOM 1070 CG ASP A 66 1.153 8.852 -5.524 1.00 1.51 C ATOM 1071 OD1 ASP A 66 0.660 9.661 -6.291 1.00 1.79 O ATOM 1072 OD2 ASP A 66 0.609 7.811 -5.190 1.00 1.88 O ATOM 0 H ASP A 66 3.777 7.247 -5.906 1.00 1.50 H new ATOM 0 HA ASP A 66 3.031 9.744 -6.956 1.00 1.63 H new ATOM 0 HB2 ASP A 66 2.844 8.350 -4.285 1.00 1.59 H new ATOM 0 HB3 ASP A 66 2.489 10.065 -4.344 1.00 1.59 H new ATOM 1077 N GLN A 67 5.655 9.707 -4.975 1.00 1.77 N ATOM 1078 CA GLN A 67 6.776 10.500 -4.490 1.00 1.93 C ATOM 1079 C GLN A 67 7.796 10.732 -5.604 1.00 1.94 C ATOM 1080 O GLN A 67 8.502 11.740 -5.618 1.00 1.94 O ATOM 1081 CB GLN A 67 7.467 9.790 -3.323 1.00 1.99 C ATOM 1082 CG GLN A 67 8.061 10.831 -2.371 1.00 2.39 C ATOM 1083 CD GLN A 67 7.015 11.228 -1.335 1.00 2.65 C ATOM 1084 OE1 GLN A 67 5.946 11.729 -1.682 1.00 3.11 O ATOM 1085 NE2 GLN A 67 7.262 11.031 -0.069 1.00 3.00 N ATOM 0 H GLN A 67 5.718 8.710 -4.768 1.00 1.77 H new ATOM 0 HA GLN A 67 6.385 11.460 -4.154 1.00 1.93 H new ATOM 0 HB2 GLN A 67 6.752 9.162 -2.791 1.00 1.99 H new ATOM 0 HB3 GLN A 67 8.253 9.133 -3.697 1.00 1.99 H new ATOM 0 HG2 GLN A 67 8.943 10.425 -1.876 1.00 2.39 H new ATOM 0 HG3 GLN A 67 8.385 11.708 -2.931 1.00 2.39 H new ATOM 0 HE21 GLN A 67 8.148 10.616 0.219 1.00 3.00 H new ATOM 0 HE22 GLN A 67 6.569 11.292 0.632 1.00 3.00 H new ATOM 1094 N LYS A 68 7.867 9.783 -6.535 1.00 2.05 N ATOM 1095 CA LYS A 68 8.806 9.887 -7.652 1.00 2.09 C ATOM 1096 C LYS A 68 8.564 11.157 -8.472 1.00 2.06 C ATOM 1097 O LYS A 68 9.443 11.603 -9.210 1.00 2.22 O ATOM 1098 CB LYS A 68 8.674 8.673 -8.573 1.00 2.32 C ATOM 1099 CG LYS A 68 9.992 8.453 -9.321 1.00 2.71 C ATOM 1100 CD LYS A 68 9.700 7.916 -10.724 1.00 3.04 C ATOM 1101 CE LYS A 68 9.120 6.505 -10.620 1.00 3.75 C ATOM 1102 NZ LYS A 68 8.217 6.252 -11.778 1.00 4.18 N ATOM 0 H LYS A 68 7.292 8.941 -6.540 1.00 2.05 H new ATOM 0 HA LYS A 68 9.809 9.927 -7.228 1.00 2.09 H new ATOM 0 HB2 LYS A 68 8.422 7.787 -7.990 1.00 2.32 H new ATOM 0 HB3 LYS A 68 7.862 8.829 -9.283 1.00 2.32 H new ATOM 0 HG2 LYS A 68 10.546 9.390 -9.387 1.00 2.71 H new ATOM 0 HG3 LYS A 68 10.620 7.749 -8.774 1.00 2.71 H new ATOM 0 HD2 LYS A 68 8.997 8.573 -11.237 1.00 3.04 H new ATOM 0 HD3 LYS A 68 10.614 7.902 -11.317 1.00 3.04 H new ATOM 0 HE2 LYS A 68 9.925 5.770 -10.605 1.00 3.75 H new ATOM 0 HE3 LYS A 68 8.570 6.394 -9.685 1.00 3.75 H new ATOM 0 HZ1 LYS A 68 8.079 5.228 -11.893 1.00 4.18 H new ATOM 0 HZ2 LYS A 68 7.298 6.708 -11.608 1.00 4.18 H new ATOM 0 HZ3 LYS A 68 8.643 6.644 -12.642 1.00 4.18 H new ATOM 1116 N SER A 69 7.366 11.737 -8.346 1.00 2.09 N ATOM 1117 CA SER A 69 7.028 12.954 -9.093 1.00 2.28 C ATOM 1118 C SER A 69 8.106 14.036 -8.910 1.00 2.32 C ATOM 1119 O SER A 69 8.744 14.108 -7.860 1.00 2.61 O ATOM 1120 CB SER A 69 5.685 13.511 -8.621 1.00 2.57 C ATOM 1121 OG SER A 69 5.738 13.740 -7.219 1.00 2.77 O ATOM 0 H SER A 69 6.622 11.389 -7.742 1.00 2.09 H new ATOM 0 HA SER A 69 6.969 12.686 -10.148 1.00 2.28 H new ATOM 0 HB2 SER A 69 5.459 14.440 -9.145 1.00 2.57 H new ATOM 0 HB3 SER A 69 4.884 12.810 -8.857 1.00 2.57 H new ATOM 0 HG SER A 69 5.347 12.975 -6.748 1.00 2.77 H new ATOM 1127 N PRO A 70 8.329 14.887 -9.929 1.00 2.69 N ATOM 1128 CA PRO A 70 9.347 15.952 -9.848 1.00 3.05 C ATOM 1129 C PRO A 70 8.842 17.201 -9.125 1.00 3.18 C ATOM 1130 O PRO A 70 7.807 17.174 -8.460 1.00 3.67 O ATOM 1131 CB PRO A 70 9.619 16.251 -11.318 1.00 3.88 C ATOM 1132 CG PRO A 70 8.383 15.821 -12.100 1.00 4.16 C ATOM 1133 CD PRO A 70 7.594 14.850 -11.216 1.00 3.37 C ATOM 0 HA PRO A 70 10.225 15.648 -9.278 1.00 3.05 H new ATOM 0 HB2 PRO A 70 9.817 17.313 -11.465 1.00 3.88 H new ATOM 0 HB3 PRO A 70 10.501 15.711 -11.664 1.00 3.88 H new ATOM 0 HG2 PRO A 70 7.773 16.686 -12.359 1.00 4.16 H new ATOM 0 HG3 PRO A 70 8.669 15.341 -13.036 1.00 4.16 H new ATOM 0 HD2 PRO A 70 6.558 15.166 -11.097 1.00 3.37 H new ATOM 0 HD3 PRO A 70 7.574 13.846 -11.639 1.00 3.37 H new ATOM 1141 N THR A 71 9.593 18.294 -9.270 1.00 3.48 N ATOM 1142 CA THR A 71 9.236 19.569 -8.636 1.00 4.29 C ATOM 1143 C THR A 71 9.000 19.388 -7.127 1.00 5.01 C ATOM 1144 O THR A 71 7.862 19.445 -6.658 1.00 5.40 O ATOM 1145 CB THR A 71 7.979 20.168 -9.283 1.00 4.74 C ATOM 1146 OG1 THR A 71 6.842 19.396 -8.926 1.00 5.01 O ATOM 1147 CG2 THR A 71 8.134 20.176 -10.805 1.00 5.27 C ATOM 0 H THR A 71 10.452 18.324 -9.820 1.00 3.48 H new ATOM 0 HA THR A 71 10.072 20.253 -8.783 1.00 4.29 H new ATOM 0 HB THR A 71 7.848 21.190 -8.928 1.00 4.74 H new ATOM 0 HG1 THR A 71 7.070 18.804 -8.179 1.00 5.01 H new ATOM 0 HG21 THR A 71 7.240 20.602 -11.260 1.00 5.27 H new ATOM 0 HG22 THR A 71 9.001 20.776 -11.079 1.00 5.27 H new ATOM 0 HG23 THR A 71 8.272 19.155 -11.162 1.00 5.27 H new ATOM 1155 N PRO A 72 10.073 19.174 -6.345 1.00 5.63 N ATOM 1156 CA PRO A 72 9.951 18.993 -4.888 1.00 6.67 C ATOM 1157 C PRO A 72 9.880 20.321 -4.139 1.00 7.41 C ATOM 1158 O PRO A 72 10.816 21.121 -4.175 1.00 7.87 O ATOM 1159 CB PRO A 72 11.236 18.248 -4.546 1.00 7.26 C ATOM 1160 CG PRO A 72 12.246 18.570 -5.642 1.00 6.87 C ATOM 1161 CD PRO A 72 11.464 19.095 -6.851 1.00 5.76 C ATOM 0 HA PRO A 72 9.038 18.470 -4.604 1.00 6.67 H new ATOM 0 HB2 PRO A 72 11.613 18.558 -3.571 1.00 7.26 H new ATOM 0 HB3 PRO A 72 11.056 17.174 -4.491 1.00 7.26 H new ATOM 0 HG2 PRO A 72 12.962 19.315 -5.296 1.00 6.87 H new ATOM 0 HG3 PRO A 72 12.816 17.681 -5.911 1.00 6.87 H new ATOM 0 HD2 PRO A 72 11.830 20.069 -7.176 1.00 5.76 H new ATOM 0 HD3 PRO A 72 11.544 18.423 -7.705 1.00 5.76 H new ATOM 1169 N LYS A 73 8.760 20.545 -3.455 1.00 7.81 N ATOM 1170 CA LYS A 73 8.567 21.779 -2.689 1.00 8.76 C ATOM 1171 C LYS A 73 7.158 21.818 -2.082 1.00 9.13 C ATOM 1172 O LYS A 73 7.011 21.975 -0.870 1.00 9.30 O ATOM 1173 CB LYS A 73 8.774 23.020 -3.577 1.00 9.36 C ATOM 1174 CG LYS A 73 10.146 23.644 -3.287 1.00 9.82 C ATOM 1175 CD LYS A 73 10.780 24.123 -4.596 1.00 10.66 C ATOM 1176 CE LYS A 73 10.023 25.348 -5.113 1.00 11.15 C ATOM 1177 NZ LYS A 73 10.620 26.582 -4.531 1.00 11.77 N ATOM 0 H LYS A 73 7.976 19.894 -3.414 1.00 7.81 H new ATOM 0 HA LYS A 73 9.308 21.791 -1.889 1.00 8.76 H new ATOM 0 HB2 LYS A 73 8.706 22.741 -4.629 1.00 9.36 H new ATOM 0 HB3 LYS A 73 7.986 23.749 -3.389 1.00 9.36 H new ATOM 0 HG2 LYS A 73 10.038 24.480 -2.596 1.00 9.82 H new ATOM 0 HG3 LYS A 73 10.794 22.913 -2.803 1.00 9.82 H new ATOM 0 HD2 LYS A 73 11.829 24.372 -4.434 1.00 10.66 H new ATOM 0 HD3 LYS A 73 10.753 23.326 -5.339 1.00 10.66 H new ATOM 0 HE2 LYS A 73 10.071 25.386 -6.201 1.00 11.15 H new ATOM 0 HE3 LYS A 73 8.969 25.279 -4.843 1.00 11.15 H new ATOM 0 HZ1 LYS A 73 10.106 27.415 -4.882 1.00 11.77 H new ATOM 0 HZ2 LYS A 73 10.552 26.545 -3.494 1.00 11.77 H new ATOM 0 HZ3 LYS A 73 11.620 26.649 -4.810 1.00 11.77 H new ATOM 1191 N PRO A 74 6.098 21.678 -2.904 1.00 9.55 N ATOM 1192 CA PRO A 74 4.716 21.704 -2.391 1.00 10.20 C ATOM 1193 C PRO A 74 4.285 20.364 -1.798 1.00 10.72 C ATOM 1194 O PRO A 74 5.100 19.457 -1.782 1.00 11.10 O ATOM 1195 CB PRO A 74 3.908 22.027 -3.640 1.00 10.64 C ATOM 1196 CG PRO A 74 4.741 21.583 -4.837 1.00 10.42 C ATOM 1197 CD PRO A 74 6.198 21.485 -4.372 1.00 9.69 C ATOM 1198 OXT PRO A 74 3.147 20.268 -1.369 1.00 10.91 O ATOM 0 HA PRO A 74 4.586 22.417 -1.577 1.00 10.20 H new ATOM 0 HB2 PRO A 74 2.949 21.509 -3.624 1.00 10.64 H new ATOM 0 HB3 PRO A 74 3.693 23.094 -3.695 1.00 10.64 H new ATOM 0 HG2 PRO A 74 4.392 20.620 -5.211 1.00 10.42 H new ATOM 0 HG3 PRO A 74 4.647 22.296 -5.656 1.00 10.42 H new ATOM 0 HD2 PRO A 74 6.637 20.519 -4.622 1.00 9.69 H new ATOM 0 HD3 PRO A 74 6.822 22.248 -4.837 1.00 9.69 H new TER 1206 PRO A 74