USER MOD reduce.3.24.130724 H: found=0, std=0, add=865, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 862 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 73 HIS : no HD1:sc= -0.279 K(o=-0.59,f=0.12) USER MOD Set 1.2: A 75 ASN : amide:sc= -0.307 X(o=-0.59,f=-0.11) USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0875 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 17:sc= 0.82 USER MOD Single : A 12 LYS NZ :NH3+ -154:sc= -0.362 (180deg=-1.3) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 45:sc= 1.2 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 3:sc= 0.191 USER MOD Single : A 27 SER OG : rot 180:sc=-0.00316 USER MOD Single : A 32 SER OG : rot -127:sc= 0.188 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.133 X(o=-0.13,f=-0.47) USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.0142 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.0534 USER MOD Single : A 84 TYR OH : rot 142:sc= -1.82! USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 82:sc=-0.00826 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= -1.3 USER MOD Single : A 98 TYR OH : rot 165:sc= 0.176 USER MOD Single : A 106 SER OG : rot -70:sc= 0.00774 USER MOD Single : A 108 TYR OH : rot 15:sc= -0.794 USER MOD Single : A 113 THR OG1 : rot 43:sc= 1.03 USER MOD Single : A 114 GLN : amide:sc=-0.00581 X(o=-0.0058,f=-0.43) USER MOD Single : A 115 THR OG1 : rot 180:sc= -0.122 USER MOD Single : A 119 SER OG : rot 25:sc= 0.734 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.775 6.286 -21.994 1.00 0.00 N ATOM 2 CA GLY A 1 -8.048 5.921 -22.586 1.00 0.00 C ATOM 3 C GLY A 1 -8.737 4.800 -21.833 1.00 0.00 C ATOM 4 O GLY A 1 -8.225 4.314 -20.824 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.787 7.294 -21.738 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.612 5.714 -21.141 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.011 6.112 -22.678 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.699 6.795 -22.607 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.890 5.616 -23.621 1.00 0.00 H new ATOM 8 N SER A 2 -9.903 4.389 -22.323 1.00 0.00 N ATOM 9 CA SER A 2 -10.666 3.322 -21.686 1.00 0.00 C ATOM 10 C SER A 2 -10.758 2.102 -22.597 1.00 0.00 C ATOM 11 O SER A 2 -10.639 2.214 -23.817 1.00 0.00 O ATOM 12 CB SER A 2 -12.070 3.814 -21.328 1.00 0.00 C ATOM 13 OG SER A 2 -12.049 4.607 -20.155 1.00 0.00 O ATOM 0 H SER A 2 -10.339 4.779 -23.159 1.00 0.00 H new ATOM 0 HA SER A 2 -10.147 3.033 -20.772 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.477 4.395 -22.156 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.732 2.960 -21.182 1.00 0.00 H new ATOM 0 HG SER A 2 -12.958 4.910 -19.949 1.00 0.00 H new ATOM 19 N SER A 3 -10.972 0.936 -21.995 1.00 0.00 N ATOM 20 CA SER A 3 -11.078 -0.306 -22.751 1.00 0.00 C ATOM 21 C SER A 3 -11.724 -1.401 -21.909 1.00 0.00 C ATOM 22 O SER A 3 -11.972 -1.219 -20.717 1.00 0.00 O ATOM 23 CB SER A 3 -9.695 -0.760 -23.223 1.00 0.00 C ATOM 24 OG SER A 3 -9.790 -1.552 -24.394 1.00 0.00 O ATOM 0 H SER A 3 -11.075 0.826 -20.986 1.00 0.00 H new ATOM 0 HA SER A 3 -11.709 -0.120 -23.620 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.070 0.111 -23.419 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.207 -1.331 -22.433 1.00 0.00 H new ATOM 0 HG SER A 3 -8.893 -1.828 -24.676 1.00 0.00 H new ATOM 30 N GLY A 4 -11.996 -2.541 -22.537 1.00 0.00 N ATOM 31 CA GLY A 4 -12.611 -3.650 -21.832 1.00 0.00 C ATOM 32 C GLY A 4 -11.600 -4.690 -21.392 1.00 0.00 C ATOM 33 O GLY A 4 -10.393 -4.474 -21.494 1.00 0.00 O ATOM 0 H GLY A 4 -11.801 -2.716 -23.523 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.142 -3.272 -20.958 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.353 -4.120 -22.477 1.00 0.00 H new ATOM 37 N SER A 5 -12.094 -5.822 -20.900 1.00 0.00 N ATOM 38 CA SER A 5 -11.225 -6.898 -20.437 1.00 0.00 C ATOM 39 C SER A 5 -12.036 -8.150 -20.115 1.00 0.00 C ATOM 40 O SER A 5 -13.264 -8.144 -20.189 1.00 0.00 O ATOM 41 CB SER A 5 -10.440 -6.453 -19.202 1.00 0.00 C ATOM 42 OG SER A 5 -11.313 -6.074 -18.152 1.00 0.00 O ATOM 0 H SER A 5 -13.091 -6.018 -20.812 1.00 0.00 H new ATOM 0 HA SER A 5 -10.524 -7.136 -21.237 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.793 -7.264 -18.867 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.793 -5.615 -19.461 1.00 0.00 H new ATOM 0 HG SER A 5 -10.787 -5.795 -17.374 1.00 0.00 H new ATOM 48 N SER A 6 -11.338 -9.223 -19.756 1.00 0.00 N ATOM 49 CA SER A 6 -11.990 -10.484 -19.426 1.00 0.00 C ATOM 50 C SER A 6 -11.127 -11.310 -18.478 1.00 0.00 C ATOM 51 O SER A 6 -9.994 -10.941 -18.170 1.00 0.00 O ATOM 52 CB SER A 6 -12.278 -11.282 -20.699 1.00 0.00 C ATOM 53 OG SER A 6 -11.107 -11.923 -21.175 1.00 0.00 O ATOM 0 H SER A 6 -10.321 -9.244 -19.686 1.00 0.00 H new ATOM 0 HA SER A 6 -12.932 -10.258 -18.927 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.048 -12.027 -20.499 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.670 -10.617 -21.468 1.00 0.00 H new ATOM 0 HG SER A 6 -11.318 -12.428 -21.988 1.00 0.00 H new ATOM 59 N GLY A 7 -11.672 -12.433 -18.017 1.00 0.00 N ATOM 60 CA GLY A 7 -10.939 -13.295 -17.109 1.00 0.00 C ATOM 61 C GLY A 7 -11.507 -14.699 -17.057 1.00 0.00 C ATOM 62 O GLY A 7 -12.392 -15.047 -17.839 1.00 0.00 O ATOM 0 H GLY A 7 -12.608 -12.760 -18.257 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.895 -13.340 -17.419 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.956 -12.862 -16.109 1.00 0.00 H new ATOM 66 N ARG A 8 -10.997 -15.508 -16.134 1.00 0.00 N ATOM 67 CA ARG A 8 -11.458 -16.883 -15.985 1.00 0.00 C ATOM 68 C ARG A 8 -11.406 -17.319 -14.523 1.00 0.00 C ATOM 69 O ARG A 8 -10.869 -16.610 -13.673 1.00 0.00 O ATOM 70 CB ARG A 8 -10.606 -17.824 -16.839 1.00 0.00 C ATOM 71 CG ARG A 8 -10.659 -17.514 -18.325 1.00 0.00 C ATOM 72 CD ARG A 8 -12.014 -17.867 -18.920 1.00 0.00 C ATOM 73 NE ARG A 8 -12.118 -19.288 -19.241 1.00 0.00 N ATOM 74 CZ ARG A 8 -11.618 -19.829 -20.346 1.00 0.00 C ATOM 75 NH1 ARG A 8 -10.984 -19.073 -21.231 1.00 0.00 N ATOM 76 NH2 ARG A 8 -11.753 -21.131 -20.568 1.00 0.00 N ATOM 0 H ARG A 8 -10.265 -15.235 -15.478 1.00 0.00 H new ATOM 0 HA ARG A 8 -12.493 -16.931 -16.324 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -9.571 -17.769 -16.502 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.940 -18.849 -16.678 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.455 -16.455 -18.484 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -9.877 -18.070 -18.842 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -12.801 -17.596 -18.216 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -12.178 -17.279 -19.823 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.601 -19.898 -18.581 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -10.879 -18.072 -21.064 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -10.601 -19.492 -22.079 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -12.241 -21.716 -19.890 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -11.369 -21.546 -21.417 1.00 0.00 H new ATOM 90 N SER A 9 -11.970 -18.489 -14.239 1.00 0.00 N ATOM 91 CA SER A 9 -11.992 -19.017 -12.880 1.00 0.00 C ATOM 92 C SER A 9 -11.658 -20.505 -12.870 1.00 0.00 C ATOM 93 O SER A 9 -12.371 -21.331 -13.441 1.00 0.00 O ATOM 94 CB SER A 9 -13.364 -18.786 -12.244 1.00 0.00 C ATOM 95 OG SER A 9 -14.350 -19.609 -12.843 1.00 0.00 O ATOM 0 H SER A 9 -12.418 -19.089 -14.932 1.00 0.00 H new ATOM 0 HA SER A 9 -11.236 -18.489 -12.299 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.312 -18.994 -11.175 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.646 -17.739 -12.351 1.00 0.00 H new ATOM 0 HG SER A 9 -13.914 -20.331 -13.343 1.00 0.00 H new ATOM 101 N PRO A 10 -10.548 -20.857 -12.206 1.00 0.00 N ATOM 102 CA PRO A 10 -10.093 -22.247 -12.104 1.00 0.00 C ATOM 103 C PRO A 10 -11.005 -23.092 -11.223 1.00 0.00 C ATOM 104 O PRO A 10 -12.068 -22.639 -10.797 1.00 0.00 O ATOM 105 CB PRO A 10 -8.705 -22.120 -11.470 1.00 0.00 C ATOM 106 CG PRO A 10 -8.748 -20.836 -10.717 1.00 0.00 C ATOM 107 CD PRO A 10 -9.650 -19.925 -11.502 1.00 0.00 C ATOM 0 HA PRO A 10 -10.090 -22.747 -13.072 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.494 -22.960 -10.808 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -7.923 -22.108 -12.229 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -9.130 -20.988 -9.708 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -7.751 -20.408 -10.619 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -10.203 -19.249 -10.851 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.087 -19.306 -12.200 1.00 0.00 H new ATOM 115 N PHE A 11 -10.584 -24.323 -10.951 1.00 0.00 N ATOM 116 CA PHE A 11 -11.364 -25.233 -10.121 1.00 0.00 C ATOM 117 C PHE A 11 -10.506 -26.396 -9.633 1.00 0.00 C ATOM 118 O PHE A 11 -10.021 -27.201 -10.428 1.00 0.00 O ATOM 119 CB PHE A 11 -12.568 -25.765 -10.901 1.00 0.00 C ATOM 120 CG PHE A 11 -13.779 -24.881 -10.812 1.00 0.00 C ATOM 121 CD1 PHE A 11 -14.326 -24.555 -9.582 1.00 0.00 C ATOM 122 CD2 PHE A 11 -14.370 -24.375 -11.959 1.00 0.00 C ATOM 123 CE1 PHE A 11 -15.440 -23.741 -9.496 1.00 0.00 C ATOM 124 CE2 PHE A 11 -15.484 -23.561 -11.879 1.00 0.00 C ATOM 125 CZ PHE A 11 -16.020 -23.245 -10.647 1.00 0.00 C ATOM 0 H PHE A 11 -9.706 -24.713 -11.294 1.00 0.00 H new ATOM 0 HA PHE A 11 -11.719 -24.677 -9.253 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -12.289 -25.881 -11.948 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -12.824 -26.756 -10.527 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -13.877 -24.941 -8.679 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -13.955 -24.619 -12.926 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -15.856 -23.493 -8.531 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -15.935 -23.172 -12.780 1.00 0.00 H new ATOM 0 HZ PHE A 11 -16.892 -22.611 -10.583 1.00 0.00 H new ATOM 135 N LYS A 12 -10.321 -26.477 -8.319 1.00 0.00 N ATOM 136 CA LYS A 12 -9.522 -27.541 -7.723 1.00 0.00 C ATOM 137 C LYS A 12 -10.070 -27.931 -6.354 1.00 0.00 C ATOM 138 O LYS A 12 -11.065 -27.373 -5.891 1.00 0.00 O ATOM 139 CB LYS A 12 -8.063 -27.098 -7.592 1.00 0.00 C ATOM 140 CG LYS A 12 -7.443 -26.650 -8.904 1.00 0.00 C ATOM 141 CD LYS A 12 -7.718 -25.181 -9.178 1.00 0.00 C ATOM 142 CE LYS A 12 -6.641 -24.291 -8.577 1.00 0.00 C ATOM 143 NZ LYS A 12 -6.875 -24.039 -7.128 1.00 0.00 N ATOM 0 H LYS A 12 -10.714 -25.818 -7.647 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.574 -28.411 -8.377 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.004 -26.280 -6.874 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.477 -27.922 -7.186 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.367 -26.820 -8.876 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.840 -27.254 -9.720 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.771 -25.014 -10.254 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.689 -24.908 -8.765 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.666 -24.759 -8.711 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.615 -23.341 -9.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.435 -23.137 -6.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.898 -23.994 -6.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.456 -24.810 -6.570 1.00 0.00 H new ATOM 157 N VAL A 13 -9.415 -28.892 -5.711 1.00 0.00 N ATOM 158 CA VAL A 13 -9.836 -29.355 -4.394 1.00 0.00 C ATOM 159 C VAL A 13 -10.053 -28.183 -3.443 1.00 0.00 C ATOM 160 O VAL A 13 -9.209 -27.293 -3.334 1.00 0.00 O ATOM 161 CB VAL A 13 -8.800 -30.316 -3.780 1.00 0.00 C ATOM 162 CG1 VAL A 13 -9.243 -30.764 -2.395 1.00 0.00 C ATOM 163 CG2 VAL A 13 -8.578 -31.513 -4.691 1.00 0.00 C ATOM 0 H VAL A 13 -8.591 -29.365 -6.081 1.00 0.00 H new ATOM 0 HA VAL A 13 -10.778 -29.887 -4.531 1.00 0.00 H new ATOM 0 HB VAL A 13 -7.853 -29.786 -3.679 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.499 -31.442 -1.977 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -9.346 -29.894 -1.747 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -10.202 -31.277 -2.468 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.843 -32.181 -4.241 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.519 -32.047 -4.826 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.213 -31.171 -5.659 1.00 0.00 H new ATOM 173 N LYS A 14 -11.189 -28.190 -2.755 1.00 0.00 N ATOM 174 CA LYS A 14 -11.518 -27.129 -1.810 1.00 0.00 C ATOM 175 C LYS A 14 -10.601 -27.181 -0.593 1.00 0.00 C ATOM 176 O LYS A 14 -10.952 -27.757 0.438 1.00 0.00 O ATOM 177 CB LYS A 14 -12.978 -27.247 -1.368 1.00 0.00 C ATOM 178 CG LYS A 14 -13.964 -27.277 -2.523 1.00 0.00 C ATOM 179 CD LYS A 14 -15.292 -27.887 -2.108 1.00 0.00 C ATOM 180 CE LYS A 14 -16.087 -28.365 -3.313 1.00 0.00 C ATOM 181 NZ LYS A 14 -16.942 -27.285 -3.878 1.00 0.00 N ATOM 0 H LYS A 14 -11.898 -28.919 -2.834 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.373 -26.172 -2.311 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -13.097 -28.155 -0.776 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.220 -26.407 -0.716 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -14.127 -26.264 -2.890 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.542 -27.850 -3.348 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -15.114 -28.724 -1.433 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.875 -27.150 -1.555 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.402 -28.725 -4.081 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -16.713 -29.209 -3.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -17.467 -27.651 -4.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -17.613 -26.959 -3.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -16.343 -26.489 -4.178 1.00 0.00 H new ATOM 195 N VAL A 15 -9.425 -26.575 -0.717 1.00 0.00 N ATOM 196 CA VAL A 15 -8.458 -26.550 0.375 1.00 0.00 C ATOM 197 C VAL A 15 -8.002 -25.126 0.672 1.00 0.00 C ATOM 198 O VAL A 15 -8.190 -24.219 -0.141 1.00 0.00 O ATOM 199 CB VAL A 15 -7.226 -27.416 0.053 1.00 0.00 C ATOM 200 CG1 VAL A 15 -7.620 -28.879 -0.075 1.00 0.00 C ATOM 201 CG2 VAL A 15 -6.547 -26.925 -1.217 1.00 0.00 C ATOM 0 H VAL A 15 -9.118 -26.094 -1.563 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.960 -26.958 1.252 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.516 -27.327 0.875 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.736 -29.475 -0.303 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.057 -29.222 0.863 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.349 -28.991 -0.877 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.678 -27.548 -1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.248 -26.983 -2.050 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.228 -25.892 -1.083 1.00 0.00 H new ATOM 211 N LEU A 16 -7.400 -24.935 1.841 1.00 0.00 N ATOM 212 CA LEU A 16 -6.915 -23.621 2.247 1.00 0.00 C ATOM 213 C LEU A 16 -6.071 -22.988 1.145 1.00 0.00 C ATOM 214 O LEU A 16 -5.328 -23.665 0.433 1.00 0.00 O ATOM 215 CB LEU A 16 -6.096 -23.733 3.533 1.00 0.00 C ATOM 216 CG LEU A 16 -6.779 -24.439 4.705 1.00 0.00 C ATOM 217 CD1 LEU A 16 -5.744 -24.954 5.694 1.00 0.00 C ATOM 218 CD2 LEU A 16 -7.758 -23.501 5.395 1.00 0.00 C ATOM 0 H LEU A 16 -7.236 -25.674 2.525 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.779 -22.982 2.429 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.171 -24.262 3.306 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.819 -22.728 3.852 1.00 0.00 H new ATOM 0 HG LEU A 16 -7.336 -25.291 4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.248 -25.453 6.521 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.082 -25.660 5.193 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.159 -24.118 6.077 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.235 -24.020 6.226 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.223 -22.629 5.771 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.519 -23.181 4.683 1.00 0.00 H new ATOM 230 N PRO A 17 -6.183 -21.660 1.002 1.00 0.00 N ATOM 231 CA PRO A 17 -5.435 -20.906 -0.009 1.00 0.00 C ATOM 232 C PRO A 17 -3.943 -20.845 0.301 1.00 0.00 C ATOM 233 O PRO A 17 -3.532 -20.950 1.457 1.00 0.00 O ATOM 234 CB PRO A 17 -6.053 -19.508 0.062 1.00 0.00 C ATOM 235 CG PRO A 17 -6.600 -19.404 1.444 1.00 0.00 C ATOM 236 CD PRO A 17 -7.049 -20.790 1.816 1.00 0.00 C ATOM 0 HA PRO A 17 -5.502 -21.367 -0.994 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.307 -18.736 -0.128 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.838 -19.384 -0.684 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -5.842 -19.040 2.138 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.432 -18.701 1.483 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -6.922 -20.981 2.882 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -8.103 -20.946 1.587 1.00 0.00 H new ATOM 244 N THR A 18 -3.134 -20.674 -0.740 1.00 0.00 N ATOM 245 CA THR A 18 -1.687 -20.599 -0.580 1.00 0.00 C ATOM 246 C THR A 18 -1.258 -19.218 -0.098 1.00 0.00 C ATOM 247 O THR A 18 -0.249 -19.078 0.593 1.00 0.00 O ATOM 248 CB THR A 18 -0.958 -20.920 -1.899 1.00 0.00 C ATOM 249 OG1 THR A 18 -1.397 -22.185 -2.406 1.00 0.00 O ATOM 250 CG2 THR A 18 0.548 -20.945 -1.692 1.00 0.00 C ATOM 0 H THR A 18 -3.457 -20.585 -1.703 1.00 0.00 H new ATOM 0 HA THR A 18 -1.413 -21.343 0.168 1.00 0.00 H new ATOM 0 HB THR A 18 -1.196 -20.138 -2.620 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.930 -22.381 -3.245 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.041 -21.174 -2.637 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.882 -19.971 -1.334 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.802 -21.708 -0.956 1.00 0.00 H new ATOM 258 N TYR A 19 -2.030 -18.202 -0.466 1.00 0.00 N ATOM 259 CA TYR A 19 -1.728 -16.831 -0.072 1.00 0.00 C ATOM 260 C TYR A 19 -1.959 -16.630 1.423 1.00 0.00 C ATOM 261 O TYR A 19 -2.735 -17.356 2.045 1.00 0.00 O ATOM 262 CB TYR A 19 -2.587 -15.848 -0.869 1.00 0.00 C ATOM 263 CG TYR A 19 -3.943 -15.591 -0.251 1.00 0.00 C ATOM 264 CD1 TYR A 19 -4.111 -14.615 0.723 1.00 0.00 C ATOM 265 CD2 TYR A 19 -5.057 -16.323 -0.644 1.00 0.00 C ATOM 266 CE1 TYR A 19 -5.347 -14.377 1.291 1.00 0.00 C ATOM 267 CE2 TYR A 19 -6.298 -16.091 -0.083 1.00 0.00 C ATOM 268 CZ TYR A 19 -6.438 -15.117 0.884 1.00 0.00 C ATOM 269 OH TYR A 19 -7.672 -14.882 1.446 1.00 0.00 O ATOM 0 H TYR A 19 -2.870 -18.302 -1.037 1.00 0.00 H new ATOM 0 HA TYR A 19 -0.676 -16.641 -0.287 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -2.053 -14.902 -0.959 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -2.724 -16.234 -1.879 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.260 -14.032 1.042 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -4.951 -17.086 -1.401 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -5.459 -13.616 2.049 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -7.154 -16.669 -0.400 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.830 -13.916 1.496 1.00 0.00 H new ATOM 279 N ASP A 20 -1.281 -15.640 1.991 1.00 0.00 N ATOM 280 CA ASP A 20 -1.412 -15.340 3.413 1.00 0.00 C ATOM 281 C ASP A 20 -0.943 -13.921 3.715 1.00 0.00 C ATOM 282 O ASP A 20 0.214 -13.575 3.476 1.00 0.00 O ATOM 283 CB ASP A 20 -0.610 -16.344 4.243 1.00 0.00 C ATOM 284 CG ASP A 20 -1.406 -17.592 4.571 1.00 0.00 C ATOM 285 OD1 ASP A 20 -2.646 -17.493 4.675 1.00 0.00 O ATOM 286 OD2 ASP A 20 -0.789 -18.666 4.724 1.00 0.00 O ATOM 0 H ASP A 20 -0.635 -15.031 1.489 1.00 0.00 H new ATOM 0 HA ASP A 20 -2.466 -15.419 3.680 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.291 -16.624 3.697 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.287 -15.869 5.169 1.00 0.00 H new ATOM 291 N ALA A 21 -1.849 -13.102 4.239 1.00 0.00 N ATOM 292 CA ALA A 21 -1.528 -11.721 4.574 1.00 0.00 C ATOM 293 C ALA A 21 -0.583 -11.651 5.769 1.00 0.00 C ATOM 294 O ALA A 21 0.379 -10.884 5.768 1.00 0.00 O ATOM 295 CB ALA A 21 -2.801 -10.937 4.859 1.00 0.00 C ATOM 0 H ALA A 21 -2.812 -13.372 4.441 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.023 -11.274 3.718 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.546 -9.907 5.108 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.441 -10.949 3.977 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -3.329 -11.393 5.697 1.00 0.00 H new ATOM 301 N SER A 22 -0.864 -12.457 6.788 1.00 0.00 N ATOM 302 CA SER A 22 -0.042 -12.484 7.992 1.00 0.00 C ATOM 303 C SER A 22 1.439 -12.584 7.636 1.00 0.00 C ATOM 304 O SER A 22 2.300 -12.099 8.370 1.00 0.00 O ATOM 305 CB SER A 22 -0.444 -13.660 8.884 1.00 0.00 C ATOM 306 OG SER A 22 -0.526 -14.862 8.138 1.00 0.00 O ATOM 0 H SER A 22 -1.655 -13.100 6.804 1.00 0.00 H new ATOM 0 HA SER A 22 -0.206 -11.553 8.535 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.283 -13.776 9.688 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.406 -13.453 9.352 1.00 0.00 H new ATOM 0 HG SER A 22 -0.783 -15.598 8.731 1.00 0.00 H new ATOM 312 N LYS A 23 1.727 -13.217 6.504 1.00 0.00 N ATOM 313 CA LYS A 23 3.102 -13.381 6.048 1.00 0.00 C ATOM 314 C LYS A 23 3.521 -12.218 5.154 1.00 0.00 C ATOM 315 O LYS A 23 4.373 -12.371 4.278 1.00 0.00 O ATOM 316 CB LYS A 23 3.255 -14.702 5.289 1.00 0.00 C ATOM 317 CG LYS A 23 3.281 -15.922 6.193 1.00 0.00 C ATOM 318 CD LYS A 23 4.594 -16.028 6.950 1.00 0.00 C ATOM 319 CE LYS A 23 4.653 -17.296 7.789 1.00 0.00 C ATOM 320 NZ LYS A 23 3.969 -17.125 9.100 1.00 0.00 N ATOM 0 H LYS A 23 1.026 -13.625 5.885 1.00 0.00 H new ATOM 0 HA LYS A 23 3.750 -13.395 6.924 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.432 -14.802 4.581 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.176 -14.672 4.706 1.00 0.00 H new ATOM 0 HG2 LYS A 23 2.455 -15.868 6.902 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.131 -16.821 5.596 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.424 -16.019 6.244 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.715 -15.158 7.595 1.00 0.00 H new ATOM 0 HE2 LYS A 23 4.189 -18.116 7.241 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.694 -17.573 7.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 4.031 -18.010 9.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.428 -16.359 9.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.969 -16.885 8.941 1.00 0.00 H new ATOM 334 N VAL A 24 2.918 -11.056 5.382 1.00 0.00 N ATOM 335 CA VAL A 24 3.231 -9.866 4.599 1.00 0.00 C ATOM 336 C VAL A 24 3.804 -8.763 5.481 1.00 0.00 C ATOM 337 O VAL A 24 3.223 -8.408 6.508 1.00 0.00 O ATOM 338 CB VAL A 24 1.985 -9.330 3.870 1.00 0.00 C ATOM 339 CG1 VAL A 24 2.314 -8.047 3.122 1.00 0.00 C ATOM 340 CG2 VAL A 24 1.429 -10.382 2.922 1.00 0.00 C ATOM 0 H VAL A 24 2.210 -10.913 6.102 1.00 0.00 H new ATOM 0 HA VAL A 24 3.976 -10.160 3.860 1.00 0.00 H new ATOM 0 HB VAL A 24 1.221 -9.103 4.613 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.421 -7.683 2.613 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.662 -7.293 3.828 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.095 -8.244 2.388 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.549 -9.986 2.415 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.187 -10.643 2.183 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.153 -11.272 3.488 1.00 0.00 H new ATOM 350 N THR A 25 4.948 -8.221 5.075 1.00 0.00 N ATOM 351 CA THR A 25 5.601 -7.158 5.828 1.00 0.00 C ATOM 352 C THR A 25 6.175 -6.097 4.897 1.00 0.00 C ATOM 353 O THR A 25 6.460 -6.369 3.731 1.00 0.00 O ATOM 354 CB THR A 25 6.731 -7.711 6.716 1.00 0.00 C ATOM 355 OG1 THR A 25 7.647 -8.476 5.924 1.00 0.00 O ATOM 356 CG2 THR A 25 6.168 -8.581 7.830 1.00 0.00 C ATOM 0 H THR A 25 5.442 -8.501 4.228 1.00 0.00 H new ATOM 0 HA THR A 25 4.838 -6.706 6.462 1.00 0.00 H new ATOM 0 HB THR A 25 7.255 -6.867 7.165 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.372 -8.445 4.984 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.985 -8.960 8.444 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.494 -7.989 8.449 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.621 -9.418 7.397 1.00 0.00 H new ATOM 364 N ALA A 26 6.343 -4.886 5.419 1.00 0.00 N ATOM 365 CA ALA A 26 6.886 -3.785 4.634 1.00 0.00 C ATOM 366 C ALA A 26 7.855 -2.946 5.461 1.00 0.00 C ATOM 367 O ALA A 26 7.671 -2.777 6.667 1.00 0.00 O ATOM 368 CB ALA A 26 5.760 -2.915 4.095 1.00 0.00 C ATOM 0 H ALA A 26 6.111 -4.643 6.382 1.00 0.00 H new ATOM 0 HA ALA A 26 7.438 -4.208 3.794 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.180 -2.097 3.511 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.108 -3.516 3.461 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.184 -2.509 4.927 1.00 0.00 H new ATOM 374 N SER A 27 8.887 -2.424 4.806 1.00 0.00 N ATOM 375 CA SER A 27 9.887 -1.607 5.483 1.00 0.00 C ATOM 376 C SER A 27 10.425 -0.525 4.552 1.00 0.00 C ATOM 377 O SER A 27 10.597 -0.749 3.354 1.00 0.00 O ATOM 378 CB SER A 27 11.038 -2.483 5.983 1.00 0.00 C ATOM 379 OG SER A 27 10.562 -3.520 6.823 1.00 0.00 O ATOM 0 H SER A 27 9.052 -2.552 3.808 1.00 0.00 H new ATOM 0 HA SER A 27 9.409 -1.124 6.336 1.00 0.00 H new ATOM 0 HB2 SER A 27 11.567 -2.913 5.133 1.00 0.00 H new ATOM 0 HB3 SER A 27 11.756 -1.870 6.528 1.00 0.00 H new ATOM 0 HG SER A 27 11.316 -4.066 7.128 1.00 0.00 H new ATOM 385 N GLY A 28 10.688 0.652 5.112 1.00 0.00 N ATOM 386 CA GLY A 28 11.203 1.753 4.319 1.00 0.00 C ATOM 387 C GLY A 28 10.760 3.103 4.845 1.00 0.00 C ATOM 388 O GLY A 28 10.122 3.207 5.893 1.00 0.00 O ATOM 0 H GLY A 28 10.554 0.863 6.101 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.292 1.710 4.308 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.869 1.641 3.287 1.00 0.00 H new ATOM 392 N PRO A 29 11.103 4.171 4.109 1.00 0.00 N ATOM 393 CA PRO A 29 10.747 5.541 4.488 1.00 0.00 C ATOM 394 C PRO A 29 9.252 5.809 4.359 1.00 0.00 C ATOM 395 O PRO A 29 8.664 6.512 5.180 1.00 0.00 O ATOM 396 CB PRO A 29 11.532 6.400 3.494 1.00 0.00 C ATOM 397 CG PRO A 29 11.732 5.520 2.309 1.00 0.00 C ATOM 398 CD PRO A 29 11.863 4.122 2.848 1.00 0.00 C ATOM 0 HA PRO A 29 10.983 5.749 5.532 1.00 0.00 H new ATOM 0 HB2 PRO A 29 10.981 7.302 3.229 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.485 6.721 3.914 1.00 0.00 H new ATOM 0 HG2 PRO A 29 10.890 5.595 1.621 1.00 0.00 H new ATOM 0 HG3 PRO A 29 12.624 5.809 1.754 1.00 0.00 H new ATOM 0 HD2 PRO A 29 11.451 3.385 2.159 1.00 0.00 H new ATOM 0 HD3 PRO A 29 12.905 3.852 3.017 1.00 0.00 H new ATOM 406 N GLY A 30 8.641 5.244 3.322 1.00 0.00 N ATOM 407 CA GLY A 30 7.219 5.434 3.105 1.00 0.00 C ATOM 408 C GLY A 30 6.394 5.087 4.328 1.00 0.00 C ATOM 409 O GLY A 30 5.337 5.674 4.561 1.00 0.00 O ATOM 0 H GLY A 30 9.106 4.658 2.628 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.033 6.471 2.827 1.00 0.00 H new ATOM 0 HA3 GLY A 30 6.897 4.817 2.266 1.00 0.00 H new ATOM 413 N LEU A 31 6.876 4.128 5.112 1.00 0.00 N ATOM 414 CA LEU A 31 6.175 3.701 6.318 1.00 0.00 C ATOM 415 C LEU A 31 6.972 4.062 7.567 1.00 0.00 C ATOM 416 O LEU A 31 6.817 3.437 8.616 1.00 0.00 O ATOM 417 CB LEU A 31 5.922 2.193 6.278 1.00 0.00 C ATOM 418 CG LEU A 31 5.274 1.655 5.001 1.00 0.00 C ATOM 419 CD1 LEU A 31 5.629 0.190 4.800 1.00 0.00 C ATOM 420 CD2 LEU A 31 3.764 1.837 5.052 1.00 0.00 C ATOM 0 H LEU A 31 7.749 3.632 4.934 1.00 0.00 H new ATOM 0 HA LEU A 31 5.218 4.222 6.357 1.00 0.00 H new ATOM 0 HB2 LEU A 31 6.873 1.681 6.422 1.00 0.00 H new ATOM 0 HB3 LEU A 31 5.287 1.929 7.123 1.00 0.00 H new ATOM 0 HG LEU A 31 5.660 2.221 4.154 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.160 -0.176 3.887 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.711 0.086 4.719 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.271 -0.391 5.650 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.320 1.449 4.136 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.361 1.296 5.908 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.528 2.897 5.149 1.00 0.00 H new ATOM 432 N SER A 32 7.823 5.075 7.447 1.00 0.00 N ATOM 433 CA SER A 32 8.646 5.519 8.567 1.00 0.00 C ATOM 434 C SER A 32 7.776 5.984 9.730 1.00 0.00 C ATOM 435 O SER A 32 6.973 6.906 9.589 1.00 0.00 O ATOM 436 CB SER A 32 9.576 6.651 8.127 1.00 0.00 C ATOM 437 OG SER A 32 10.126 7.324 9.246 1.00 0.00 O ATOM 0 H SER A 32 7.961 5.604 6.586 1.00 0.00 H new ATOM 0 HA SER A 32 9.247 4.673 8.901 1.00 0.00 H new ATOM 0 HB2 SER A 32 10.379 6.247 7.511 1.00 0.00 H new ATOM 0 HB3 SER A 32 9.025 7.359 7.508 1.00 0.00 H new ATOM 0 HG SER A 32 9.960 8.286 9.163 1.00 0.00 H new ATOM 443 N SER A 33 7.941 5.337 10.880 1.00 0.00 N ATOM 444 CA SER A 33 7.168 5.681 12.068 1.00 0.00 C ATOM 445 C SER A 33 7.583 7.046 12.610 1.00 0.00 C ATOM 446 O SER A 33 6.753 7.805 13.112 1.00 0.00 O ATOM 447 CB SER A 33 7.353 4.613 13.148 1.00 0.00 C ATOM 448 OG SER A 33 8.662 4.655 13.689 1.00 0.00 O ATOM 0 H SER A 33 8.603 4.572 11.014 1.00 0.00 H new ATOM 0 HA SER A 33 6.116 5.726 11.787 1.00 0.00 H new ATOM 0 HB2 SER A 33 6.623 4.765 13.943 1.00 0.00 H new ATOM 0 HB3 SER A 33 7.163 3.627 12.725 1.00 0.00 H new ATOM 0 HG SER A 33 8.754 3.964 14.378 1.00 0.00 H new ATOM 454 N TYR A 34 8.871 7.350 12.504 1.00 0.00 N ATOM 455 CA TYR A 34 9.398 8.622 12.985 1.00 0.00 C ATOM 456 C TYR A 34 8.718 9.794 12.283 1.00 0.00 C ATOM 457 O TYR A 34 8.523 10.857 12.871 1.00 0.00 O ATOM 458 CB TYR A 34 10.910 8.688 12.765 1.00 0.00 C ATOM 459 CG TYR A 34 11.706 7.923 13.797 1.00 0.00 C ATOM 460 CD1 TYR A 34 11.786 8.368 15.111 1.00 0.00 C ATOM 461 CD2 TYR A 34 12.380 6.756 13.459 1.00 0.00 C ATOM 462 CE1 TYR A 34 12.514 7.673 16.058 1.00 0.00 C ATOM 463 CE2 TYR A 34 13.108 6.054 14.399 1.00 0.00 C ATOM 464 CZ TYR A 34 13.172 6.516 15.697 1.00 0.00 C ATOM 465 OH TYR A 34 13.898 5.820 16.636 1.00 0.00 O ATOM 0 H TYR A 34 9.570 6.733 12.089 1.00 0.00 H new ATOM 0 HA TYR A 34 9.190 8.692 14.053 1.00 0.00 H new ATOM 0 HB2 TYR A 34 11.142 8.295 11.775 1.00 0.00 H new ATOM 0 HB3 TYR A 34 11.225 9.731 12.776 1.00 0.00 H new ATOM 0 HD1 TYR A 34 11.270 9.273 15.397 1.00 0.00 H new ATOM 0 HD2 TYR A 34 12.334 6.392 12.443 1.00 0.00 H new ATOM 0 HE1 TYR A 34 12.567 8.034 17.075 1.00 0.00 H new ATOM 0 HE2 TYR A 34 13.625 5.148 14.119 1.00 0.00 H new ATOM 0 HH TYR A 34 14.298 5.029 16.219 1.00 0.00 H new ATOM 475 N GLY A 35 8.359 9.590 11.019 1.00 0.00 N ATOM 476 CA GLY A 35 7.704 10.636 10.256 1.00 0.00 C ATOM 477 C GLY A 35 8.177 10.687 8.817 1.00 0.00 C ATOM 478 O GLY A 35 9.276 10.231 8.500 1.00 0.00 O ATOM 0 H GLY A 35 8.510 8.719 10.510 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.626 10.475 10.275 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.891 11.599 10.731 1.00 0.00 H new ATOM 482 N VAL A 36 7.345 11.241 7.941 1.00 0.00 N ATOM 483 CA VAL A 36 7.684 11.349 6.527 1.00 0.00 C ATOM 484 C VAL A 36 7.640 12.800 6.060 1.00 0.00 C ATOM 485 O VAL A 36 6.832 13.603 6.525 1.00 0.00 O ATOM 486 CB VAL A 36 6.728 10.512 5.656 1.00 0.00 C ATOM 487 CG1 VAL A 36 6.884 9.030 5.964 1.00 0.00 C ATOM 488 CG2 VAL A 36 5.289 10.960 5.862 1.00 0.00 C ATOM 0 H VAL A 36 6.431 11.622 8.186 1.00 0.00 H new ATOM 0 HA VAL A 36 8.698 10.965 6.414 1.00 0.00 H new ATOM 0 HB VAL A 36 6.986 10.670 4.609 1.00 0.00 H new ATOM 0 HG11 VAL A 36 6.201 8.455 5.339 1.00 0.00 H new ATOM 0 HG12 VAL A 36 7.909 8.722 5.760 1.00 0.00 H new ATOM 0 HG13 VAL A 36 6.654 8.850 7.014 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.628 10.358 5.239 1.00 0.00 H new ATOM 0 HG22 VAL A 36 5.015 10.834 6.909 1.00 0.00 H new ATOM 0 HG23 VAL A 36 5.192 12.010 5.585 1.00 0.00 H new ATOM 498 N PRO A 37 8.530 13.145 5.117 1.00 0.00 N ATOM 499 CA PRO A 37 8.612 14.500 4.566 1.00 0.00 C ATOM 500 C PRO A 37 7.409 14.847 3.696 1.00 0.00 C ATOM 501 O PRO A 37 7.172 14.213 2.668 1.00 0.00 O ATOM 502 CB PRO A 37 9.889 14.462 3.722 1.00 0.00 C ATOM 503 CG PRO A 37 10.059 13.028 3.356 1.00 0.00 C ATOM 504 CD PRO A 37 9.523 12.238 4.517 1.00 0.00 C ATOM 0 HA PRO A 37 8.624 15.258 5.349 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.796 15.089 2.835 1.00 0.00 H new ATOM 0 HB3 PRO A 37 10.746 14.831 4.285 1.00 0.00 H new ATOM 0 HG2 PRO A 37 9.517 12.792 2.440 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.108 12.793 3.175 1.00 0.00 H new ATOM 0 HD2 PRO A 37 9.068 11.303 4.191 1.00 0.00 H new ATOM 0 HD3 PRO A 37 10.310 11.979 5.225 1.00 0.00 H new ATOM 512 N ALA A 38 6.652 15.856 4.115 1.00 0.00 N ATOM 513 CA ALA A 38 5.475 16.287 3.372 1.00 0.00 C ATOM 514 C ALA A 38 5.858 16.812 1.992 1.00 0.00 C ATOM 515 O ALA A 38 6.973 17.291 1.788 1.00 0.00 O ATOM 516 CB ALA A 38 4.719 17.352 4.153 1.00 0.00 C ATOM 0 H ALA A 38 6.833 16.390 4.965 1.00 0.00 H new ATOM 0 HA ALA A 38 4.826 15.422 3.235 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.842 17.665 3.586 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.404 16.944 5.113 1.00 0.00 H new ATOM 0 HB3 ALA A 38 5.369 18.211 4.320 1.00 0.00 H new ATOM 522 N SER A 39 4.926 16.718 1.049 1.00 0.00 N ATOM 523 CA SER A 39 5.169 17.179 -0.313 1.00 0.00 C ATOM 524 C SER A 39 6.412 16.516 -0.899 1.00 0.00 C ATOM 525 O SER A 39 7.223 17.165 -1.560 1.00 0.00 O ATOM 526 CB SER A 39 5.329 18.701 -0.338 1.00 0.00 C ATOM 527 OG SER A 39 5.001 19.227 -1.612 1.00 0.00 O ATOM 0 H SER A 39 3.996 16.327 1.203 1.00 0.00 H new ATOM 0 HA SER A 39 4.309 16.901 -0.923 1.00 0.00 H new ATOM 0 HB2 SER A 39 4.688 19.150 0.420 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.355 18.966 -0.085 1.00 0.00 H new ATOM 0 HG SER A 39 5.110 20.201 -1.602 1.00 0.00 H new ATOM 533 N LEU A 40 6.554 15.219 -0.651 1.00 0.00 N ATOM 534 CA LEU A 40 7.698 14.465 -1.153 1.00 0.00 C ATOM 535 C LEU A 40 7.286 13.052 -1.554 1.00 0.00 C ATOM 536 O LEU A 40 6.719 12.297 -0.764 1.00 0.00 O ATOM 537 CB LEU A 40 8.799 14.406 -0.093 1.00 0.00 C ATOM 538 CG LEU A 40 10.233 14.327 -0.619 1.00 0.00 C ATOM 539 CD1 LEU A 40 10.455 13.025 -1.373 1.00 0.00 C ATOM 540 CD2 LEU A 40 10.540 15.521 -1.511 1.00 0.00 C ATOM 0 H LEU A 40 5.892 14.667 -0.106 1.00 0.00 H new ATOM 0 HA LEU A 40 8.079 14.976 -2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.714 15.289 0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 40 8.618 13.539 0.542 1.00 0.00 H new ATOM 0 HG LEU A 40 10.913 14.350 0.232 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.481 12.987 -1.740 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.277 12.183 -0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 40 9.766 12.971 -2.216 1.00 0.00 H new ATOM 0 HD21 LEU A 40 11.564 15.448 -1.876 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.853 15.529 -2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 40 10.423 16.442 -0.939 1.00 0.00 H new ATOM 552 N PRO A 41 7.578 12.684 -2.810 1.00 0.00 N ATOM 553 CA PRO A 41 7.249 11.359 -3.344 1.00 0.00 C ATOM 554 C PRO A 41 8.097 10.256 -2.719 1.00 0.00 C ATOM 555 O PRO A 41 9.232 10.021 -3.134 1.00 0.00 O ATOM 556 CB PRO A 41 7.559 11.491 -4.837 1.00 0.00 C ATOM 557 CG PRO A 41 8.578 12.575 -4.918 1.00 0.00 C ATOM 558 CD PRO A 41 8.253 13.533 -3.806 1.00 0.00 C ATOM 0 HA PRO A 41 6.217 11.079 -3.133 1.00 0.00 H new ATOM 0 HB2 PRO A 41 7.942 10.556 -5.246 1.00 0.00 H new ATOM 0 HB3 PRO A 41 6.665 11.745 -5.406 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.585 12.173 -4.805 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.541 13.074 -5.886 1.00 0.00 H new ATOM 0 HD2 PRO A 41 9.152 13.994 -3.397 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.607 14.342 -4.148 1.00 0.00 H new ATOM 566 N VAL A 42 7.538 9.581 -1.719 1.00 0.00 N ATOM 567 CA VAL A 42 8.243 8.501 -1.038 1.00 0.00 C ATOM 568 C VAL A 42 7.591 7.153 -1.326 1.00 0.00 C ATOM 569 O VAL A 42 6.389 7.075 -1.579 1.00 0.00 O ATOM 570 CB VAL A 42 8.278 8.727 0.485 1.00 0.00 C ATOM 571 CG1 VAL A 42 6.879 8.630 1.072 1.00 0.00 C ATOM 572 CG2 VAL A 42 9.215 7.729 1.149 1.00 0.00 C ATOM 0 H VAL A 42 6.600 9.763 -1.363 1.00 0.00 H new ATOM 0 HA VAL A 42 9.264 8.497 -1.421 1.00 0.00 H new ATOM 0 HB VAL A 42 8.657 9.731 0.678 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.924 8.792 2.149 1.00 0.00 H new ATOM 0 HG12 VAL A 42 6.240 9.387 0.617 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.468 7.641 0.871 1.00 0.00 H new ATOM 0 HG21 VAL A 42 9.228 7.903 2.225 1.00 0.00 H new ATOM 0 HG22 VAL A 42 8.868 6.715 0.949 1.00 0.00 H new ATOM 0 HG23 VAL A 42 10.221 7.853 0.749 1.00 0.00 H new ATOM 582 N ASP A 43 8.393 6.095 -1.286 1.00 0.00 N ATOM 583 CA ASP A 43 7.895 4.748 -1.541 1.00 0.00 C ATOM 584 C ASP A 43 8.543 3.741 -0.596 1.00 0.00 C ATOM 585 O ASP A 43 9.606 3.999 -0.031 1.00 0.00 O ATOM 586 CB ASP A 43 8.161 4.349 -2.993 1.00 0.00 C ATOM 587 CG ASP A 43 9.624 4.477 -3.370 1.00 0.00 C ATOM 588 OD1 ASP A 43 10.409 3.573 -3.015 1.00 0.00 O ATOM 589 OD2 ASP A 43 9.984 5.482 -4.019 1.00 0.00 O ATOM 0 H ASP A 43 9.391 6.144 -1.079 1.00 0.00 H new ATOM 0 HA ASP A 43 6.820 4.745 -1.363 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.837 3.320 -3.149 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.562 4.975 -3.654 1.00 0.00 H new ATOM 594 N PHE A 44 7.896 2.593 -0.429 1.00 0.00 N ATOM 595 CA PHE A 44 8.408 1.547 0.449 1.00 0.00 C ATOM 596 C PHE A 44 8.534 0.223 -0.298 1.00 0.00 C ATOM 597 O PHE A 44 8.216 0.134 -1.484 1.00 0.00 O ATOM 598 CB PHE A 44 7.492 1.376 1.662 1.00 0.00 C ATOM 599 CG PHE A 44 6.033 1.315 1.308 1.00 0.00 C ATOM 600 CD1 PHE A 44 5.299 2.478 1.139 1.00 0.00 C ATOM 601 CD2 PHE A 44 5.396 0.096 1.145 1.00 0.00 C ATOM 602 CE1 PHE A 44 3.957 2.426 0.812 1.00 0.00 C ATOM 603 CE2 PHE A 44 4.055 0.037 0.818 1.00 0.00 C ATOM 604 CZ PHE A 44 3.334 1.204 0.653 1.00 0.00 C ATOM 0 H PHE A 44 7.016 2.363 -0.890 1.00 0.00 H new ATOM 0 HA PHE A 44 9.399 1.847 0.790 1.00 0.00 H new ATOM 0 HB2 PHE A 44 7.768 0.463 2.190 1.00 0.00 H new ATOM 0 HB3 PHE A 44 7.656 2.205 2.351 1.00 0.00 H new ATOM 0 HD1 PHE A 44 5.781 3.436 1.264 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.954 -0.819 1.275 1.00 0.00 H new ATOM 0 HE1 PHE A 44 3.397 3.340 0.681 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.571 -0.920 0.692 1.00 0.00 H new ATOM 0 HZ PHE A 44 2.285 1.161 0.400 1.00 0.00 H new ATOM 614 N ALA A 45 9.002 -0.804 0.404 1.00 0.00 N ATOM 615 CA ALA A 45 9.169 -2.124 -0.192 1.00 0.00 C ATOM 616 C ALA A 45 8.480 -3.196 0.647 1.00 0.00 C ATOM 617 O ALA A 45 8.670 -3.264 1.861 1.00 0.00 O ATOM 618 CB ALA A 45 10.647 -2.447 -0.353 1.00 0.00 C ATOM 0 H ALA A 45 9.272 -0.747 1.386 1.00 0.00 H new ATOM 0 HA ALA A 45 8.701 -2.113 -1.176 1.00 0.00 H new ATOM 0 HB1 ALA A 45 10.757 -3.435 -0.799 1.00 0.00 H new ATOM 0 HB2 ALA A 45 11.114 -1.703 -0.999 1.00 0.00 H new ATOM 0 HB3 ALA A 45 11.131 -2.434 0.624 1.00 0.00 H new ATOM 624 N ILE A 46 7.679 -4.029 -0.009 1.00 0.00 N ATOM 625 CA ILE A 46 6.963 -5.097 0.676 1.00 0.00 C ATOM 626 C ILE A 46 7.659 -6.440 0.480 1.00 0.00 C ATOM 627 O ILE A 46 7.505 -7.085 -0.557 1.00 0.00 O ATOM 628 CB ILE A 46 5.509 -5.208 0.181 1.00 0.00 C ATOM 629 CG1 ILE A 46 4.784 -3.872 0.358 1.00 0.00 C ATOM 630 CG2 ILE A 46 4.779 -6.316 0.925 1.00 0.00 C ATOM 631 CD1 ILE A 46 3.612 -3.692 -0.582 1.00 0.00 C ATOM 0 H ILE A 46 7.510 -3.984 -1.014 1.00 0.00 H new ATOM 0 HA ILE A 46 6.959 -4.844 1.736 1.00 0.00 H new ATOM 0 HB ILE A 46 5.520 -5.456 -0.880 1.00 0.00 H new ATOM 0 HG12 ILE A 46 4.430 -3.793 1.386 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.493 -3.059 0.201 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.753 -6.382 0.564 1.00 0.00 H new ATOM 0 HG22 ILE A 46 5.286 -7.265 0.753 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.775 -6.096 1.993 1.00 0.00 H new ATOM 0 HD11 ILE A 46 3.146 -2.724 -0.401 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.962 -3.739 -1.613 1.00 0.00 H new ATOM 0 HD13 ILE A 46 2.883 -4.484 -0.410 1.00 0.00 H new ATOM 643 N ASP A 47 8.423 -6.856 1.484 1.00 0.00 N ATOM 644 CA ASP A 47 9.141 -8.124 1.424 1.00 0.00 C ATOM 645 C ASP A 47 8.273 -9.265 1.946 1.00 0.00 C ATOM 646 O ASP A 47 7.954 -9.322 3.133 1.00 0.00 O ATOM 647 CB ASP A 47 10.436 -8.040 2.234 1.00 0.00 C ATOM 648 CG ASP A 47 11.293 -9.282 2.085 1.00 0.00 C ATOM 649 OD1 ASP A 47 11.653 -9.620 0.939 1.00 0.00 O ATOM 650 OD2 ASP A 47 11.602 -9.916 3.116 1.00 0.00 O ATOM 0 H ASP A 47 8.561 -6.334 2.349 1.00 0.00 H new ATOM 0 HA ASP A 47 9.386 -8.326 0.381 1.00 0.00 H new ATOM 0 HB2 ASP A 47 11.006 -7.168 1.913 1.00 0.00 H new ATOM 0 HB3 ASP A 47 10.194 -7.893 3.287 1.00 0.00 H new ATOM 655 N ALA A 48 7.894 -10.170 1.050 1.00 0.00 N ATOM 656 CA ALA A 48 7.064 -11.310 1.420 1.00 0.00 C ATOM 657 C ALA A 48 7.856 -12.611 1.352 1.00 0.00 C ATOM 658 O ALA A 48 8.445 -12.937 0.321 1.00 0.00 O ATOM 659 CB ALA A 48 5.840 -11.387 0.518 1.00 0.00 C ATOM 0 H ALA A 48 8.148 -10.136 0.063 1.00 0.00 H new ATOM 0 HA ALA A 48 6.735 -11.169 2.450 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.229 -12.243 0.806 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.255 -10.473 0.620 1.00 0.00 H new ATOM 0 HB3 ALA A 48 6.158 -11.500 -0.518 1.00 0.00 H new ATOM 665 N ARG A 49 7.866 -13.350 2.456 1.00 0.00 N ATOM 666 CA ARG A 49 8.588 -14.615 2.522 1.00 0.00 C ATOM 667 C ARG A 49 7.657 -15.788 2.230 1.00 0.00 C ATOM 668 O ARG A 49 7.904 -16.578 1.318 1.00 0.00 O ATOM 669 CB ARG A 49 9.230 -14.790 3.900 1.00 0.00 C ATOM 670 CG ARG A 49 10.238 -13.706 4.244 1.00 0.00 C ATOM 671 CD ARG A 49 10.627 -13.753 5.713 1.00 0.00 C ATOM 672 NE ARG A 49 11.129 -12.467 6.188 1.00 0.00 N ATOM 673 CZ ARG A 49 11.930 -12.333 7.239 1.00 0.00 C ATOM 674 NH1 ARG A 49 12.319 -13.402 7.921 1.00 0.00 N ATOM 675 NH2 ARG A 49 12.345 -11.128 7.610 1.00 0.00 N ATOM 0 H ARG A 49 7.382 -13.095 3.317 1.00 0.00 H new ATOM 0 HA ARG A 49 9.371 -14.597 1.764 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.447 -14.800 4.658 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.725 -15.760 3.940 1.00 0.00 H new ATOM 0 HG2 ARG A 49 11.128 -13.826 3.627 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.817 -12.728 4.009 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.762 -14.046 6.308 1.00 0.00 H new ATOM 0 HD3 ARG A 49 11.390 -14.517 5.862 1.00 0.00 H new ATOM 0 HE ARG A 49 10.849 -11.625 5.685 1.00 0.00 H new ATOM 0 HH11 ARG A 49 12.003 -14.330 7.639 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.934 -13.296 8.728 1.00 0.00 H new ATOM 0 HH21 ARG A 49 12.049 -10.303 7.088 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.960 -11.027 8.417 1.00 0.00 H new ATOM 689 N ASP A 50 6.588 -15.896 3.011 1.00 0.00 N ATOM 690 CA ASP A 50 5.619 -16.973 2.836 1.00 0.00 C ATOM 691 C ASP A 50 4.222 -16.412 2.592 1.00 0.00 C ATOM 692 O ASP A 50 3.221 -17.035 2.945 1.00 0.00 O ATOM 693 CB ASP A 50 5.609 -17.883 4.065 1.00 0.00 C ATOM 694 CG ASP A 50 5.264 -19.318 3.720 1.00 0.00 C ATOM 695 OD1 ASP A 50 5.773 -19.820 2.696 1.00 0.00 O ATOM 696 OD2 ASP A 50 4.484 -19.939 4.473 1.00 0.00 O ATOM 0 H ASP A 50 6.370 -15.252 3.771 1.00 0.00 H new ATOM 0 HA ASP A 50 5.914 -17.556 1.964 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.588 -17.853 4.544 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.888 -17.503 4.789 1.00 0.00 H new ATOM 701 N ALA A 51 4.162 -15.230 1.986 1.00 0.00 N ATOM 702 CA ALA A 51 2.887 -14.586 1.693 1.00 0.00 C ATOM 703 C ALA A 51 2.244 -15.182 0.446 1.00 0.00 C ATOM 704 O ALA A 51 1.296 -14.622 -0.104 1.00 0.00 O ATOM 705 CB ALA A 51 3.081 -13.086 1.524 1.00 0.00 C ATOM 0 H ALA A 51 4.981 -14.700 1.689 1.00 0.00 H new ATOM 0 HA ALA A 51 2.217 -14.763 2.534 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.121 -12.617 1.306 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.489 -12.666 2.443 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.772 -12.899 0.702 1.00 0.00 H new ATOM 711 N GLY A 52 2.765 -16.323 0.004 1.00 0.00 N ATOM 712 CA GLY A 52 2.229 -16.976 -1.176 1.00 0.00 C ATOM 713 C GLY A 52 2.018 -16.012 -2.326 1.00 0.00 C ATOM 714 O GLY A 52 2.925 -15.267 -2.694 1.00 0.00 O ATOM 0 H GLY A 52 3.549 -16.807 0.442 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.909 -17.768 -1.490 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.281 -17.451 -0.925 1.00 0.00 H new ATOM 718 N GLU A 53 0.817 -16.027 -2.896 1.00 0.00 N ATOM 719 CA GLU A 53 0.491 -15.149 -4.014 1.00 0.00 C ATOM 720 C GLU A 53 -0.960 -14.683 -3.934 1.00 0.00 C ATOM 721 O GLU A 53 -1.887 -15.474 -4.095 1.00 0.00 O ATOM 722 CB GLU A 53 0.736 -15.866 -5.343 1.00 0.00 C ATOM 723 CG GLU A 53 2.185 -15.826 -5.798 1.00 0.00 C ATOM 724 CD GLU A 53 2.558 -17.017 -6.660 1.00 0.00 C ATOM 725 OE1 GLU A 53 2.487 -18.158 -6.159 1.00 0.00 O ATOM 726 OE2 GLU A 53 2.922 -16.806 -7.836 1.00 0.00 O ATOM 0 H GLU A 53 0.054 -16.637 -2.602 1.00 0.00 H new ATOM 0 HA GLU A 53 1.139 -14.274 -3.957 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.422 -16.906 -5.249 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.110 -15.413 -6.112 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.361 -14.907 -6.358 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.836 -15.796 -4.924 1.00 0.00 H new ATOM 733 N GLY A 54 -1.147 -13.390 -3.684 1.00 0.00 N ATOM 734 CA GLY A 54 -2.487 -12.840 -3.587 1.00 0.00 C ATOM 735 C GLY A 54 -2.577 -11.431 -4.139 1.00 0.00 C ATOM 736 O GLY A 54 -1.556 -10.792 -4.400 1.00 0.00 O ATOM 0 H GLY A 54 -0.395 -12.714 -3.547 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.181 -13.484 -4.128 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.801 -12.839 -2.543 1.00 0.00 H new ATOM 740 N LEU A 55 -3.800 -10.946 -4.320 1.00 0.00 N ATOM 741 CA LEU A 55 -4.019 -9.603 -4.847 1.00 0.00 C ATOM 742 C LEU A 55 -3.710 -8.546 -3.791 1.00 0.00 C ATOM 743 O LEU A 55 -4.440 -8.401 -2.810 1.00 0.00 O ATOM 744 CB LEU A 55 -5.464 -9.453 -5.327 1.00 0.00 C ATOM 745 CG LEU A 55 -5.718 -8.348 -6.354 1.00 0.00 C ATOM 746 CD1 LEU A 55 -5.455 -8.858 -7.762 1.00 0.00 C ATOM 747 CD2 LEU A 55 -7.142 -7.824 -6.231 1.00 0.00 C ATOM 0 H LEU A 55 -4.655 -11.462 -4.110 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.344 -9.455 -5.690 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -5.783 -10.402 -5.757 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.097 -9.268 -4.459 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.031 -7.526 -6.154 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.641 -8.058 -8.479 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.418 -9.184 -7.843 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.117 -9.697 -7.975 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.306 -7.039 -6.969 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.846 -8.638 -6.405 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.296 -7.420 -5.231 1.00 0.00 H new ATOM 759 N LEU A 56 -2.625 -7.809 -4.000 1.00 0.00 N ATOM 760 CA LEU A 56 -2.220 -6.763 -3.068 1.00 0.00 C ATOM 761 C LEU A 56 -2.948 -5.456 -3.366 1.00 0.00 C ATOM 762 O LEU A 56 -3.132 -5.087 -4.525 1.00 0.00 O ATOM 763 CB LEU A 56 -0.707 -6.545 -3.141 1.00 0.00 C ATOM 764 CG LEU A 56 -0.152 -5.399 -2.295 1.00 0.00 C ATOM 765 CD1 LEU A 56 -0.358 -5.681 -0.815 1.00 0.00 C ATOM 766 CD2 LEU A 56 1.322 -5.177 -2.598 1.00 0.00 C ATOM 0 H LEU A 56 -2.010 -7.916 -4.807 1.00 0.00 H new ATOM 0 HA LEU A 56 -2.487 -7.085 -2.061 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.212 -7.467 -2.837 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.436 -6.366 -4.181 1.00 0.00 H new ATOM 0 HG LEU A 56 -0.695 -4.489 -2.550 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.043 -4.855 -0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.423 -5.788 -0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.158 -6.602 -0.545 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.700 -4.358 -1.987 1.00 0.00 H new ATOM 0 HD22 LEU A 56 1.881 -6.085 -2.373 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.443 -4.929 -3.652 1.00 0.00 H new ATOM 778 N ALA A 57 -3.358 -4.760 -2.311 1.00 0.00 N ATOM 779 CA ALA A 57 -4.063 -3.492 -2.459 1.00 0.00 C ATOM 780 C ALA A 57 -3.560 -2.464 -1.451 1.00 0.00 C ATOM 781 O ALA A 57 -3.164 -2.813 -0.339 1.00 0.00 O ATOM 782 CB ALA A 57 -5.562 -3.700 -2.301 1.00 0.00 C ATOM 0 H ALA A 57 -3.214 -5.052 -1.344 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.864 -3.108 -3.460 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.076 -2.745 -2.414 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.915 -4.394 -3.063 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.770 -4.109 -1.313 1.00 0.00 H new ATOM 788 N VAL A 58 -3.578 -1.196 -1.848 1.00 0.00 N ATOM 789 CA VAL A 58 -3.125 -0.116 -0.978 1.00 0.00 C ATOM 790 C VAL A 58 -4.250 0.874 -0.699 1.00 0.00 C ATOM 791 O VAL A 58 -4.852 1.420 -1.623 1.00 0.00 O ATOM 792 CB VAL A 58 -1.933 0.639 -1.596 1.00 0.00 C ATOM 793 CG1 VAL A 58 -1.515 1.798 -0.705 1.00 0.00 C ATOM 794 CG2 VAL A 58 -0.767 -0.310 -1.833 1.00 0.00 C ATOM 0 H VAL A 58 -3.901 -0.891 -2.766 1.00 0.00 H new ATOM 0 HA VAL A 58 -2.809 -0.575 -0.041 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.242 1.046 -2.559 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -0.672 2.319 -1.158 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.350 2.489 -0.591 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.223 1.418 0.274 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.067 0.240 -2.270 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -0.456 -0.748 -0.885 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -1.076 -1.103 -2.514 1.00 0.00 H new ATOM 804 N GLN A 59 -4.527 1.100 0.581 1.00 0.00 N ATOM 805 CA GLN A 59 -5.581 2.025 0.982 1.00 0.00 C ATOM 806 C GLN A 59 -5.010 3.178 1.800 1.00 0.00 C ATOM 807 O GLN A 59 -4.663 3.010 2.970 1.00 0.00 O ATOM 808 CB GLN A 59 -6.652 1.291 1.790 1.00 0.00 C ATOM 809 CG GLN A 59 -7.856 2.155 2.131 1.00 0.00 C ATOM 810 CD GLN A 59 -8.572 2.671 0.898 1.00 0.00 C ATOM 811 OE1 GLN A 59 -8.191 3.692 0.326 1.00 0.00 O ATOM 812 NE2 GLN A 59 -9.617 1.965 0.482 1.00 0.00 N ATOM 0 H GLN A 59 -4.037 0.656 1.358 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.035 2.434 0.079 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -6.988 0.421 1.226 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -6.208 0.920 2.714 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -8.554 1.576 2.736 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.532 3.000 2.738 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -9.898 1.124 0.987 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -10.139 2.263 -0.342 1.00 0.00 H new ATOM 821 N ILE A 60 -4.917 4.349 1.179 1.00 0.00 N ATOM 822 CA ILE A 60 -4.389 5.530 1.851 1.00 0.00 C ATOM 823 C ILE A 60 -5.487 6.559 2.098 1.00 0.00 C ATOM 824 O ILE A 60 -6.324 6.812 1.230 1.00 0.00 O ATOM 825 CB ILE A 60 -3.261 6.186 1.033 1.00 0.00 C ATOM 826 CG1 ILE A 60 -2.140 5.178 0.769 1.00 0.00 C ATOM 827 CG2 ILE A 60 -2.722 7.408 1.760 1.00 0.00 C ATOM 828 CD1 ILE A 60 -1.076 5.692 -0.175 1.00 0.00 C ATOM 0 H ILE A 60 -5.200 4.505 0.212 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.986 5.195 2.807 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.667 6.508 0.074 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.674 4.908 1.717 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.572 4.267 0.355 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.925 7.861 1.170 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.525 8.131 1.901 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.328 7.109 2.732 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.314 4.926 -0.316 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.529 5.935 -1.136 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.617 6.587 0.246 1.00 0.00 H new ATOM 840 N THR A 61 -5.479 7.152 3.288 1.00 0.00 N ATOM 841 CA THR A 61 -6.473 8.154 3.649 1.00 0.00 C ATOM 842 C THR A 61 -5.824 9.347 4.342 1.00 0.00 C ATOM 843 O THR A 61 -4.643 9.309 4.688 1.00 0.00 O ATOM 844 CB THR A 61 -7.555 7.564 4.574 1.00 0.00 C ATOM 845 OG1 THR A 61 -6.944 6.766 5.595 1.00 0.00 O ATOM 846 CG2 THR A 61 -8.540 6.717 3.783 1.00 0.00 C ATOM 0 H THR A 61 -4.794 6.955 4.018 1.00 0.00 H new ATOM 0 HA THR A 61 -6.939 8.485 2.721 1.00 0.00 H new ATOM 0 HB THR A 61 -8.098 8.389 5.034 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.638 6.396 6.180 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.294 6.311 4.457 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.024 7.334 3.026 1.00 0.00 H new ATOM 0 HG23 THR A 61 -8.008 5.898 3.298 1.00 0.00 H new ATOM 854 N ASP A 62 -6.603 10.404 4.542 1.00 0.00 N ATOM 855 CA ASP A 62 -6.105 11.609 5.195 1.00 0.00 C ATOM 856 C ASP A 62 -6.756 11.795 6.562 1.00 0.00 C ATOM 857 O ASP A 62 -7.535 10.953 7.008 1.00 0.00 O ATOM 858 CB ASP A 62 -6.367 12.835 4.320 1.00 0.00 C ATOM 859 CG ASP A 62 -7.670 12.729 3.551 1.00 0.00 C ATOM 860 OD1 ASP A 62 -7.703 11.999 2.538 1.00 0.00 O ATOM 861 OD2 ASP A 62 -8.655 13.376 3.962 1.00 0.00 O ATOM 0 H ASP A 62 -7.582 10.451 4.261 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.030 11.497 5.337 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.389 13.727 4.946 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.543 12.959 3.618 1.00 0.00 H new ATOM 866 N GLN A 63 -6.430 12.902 7.221 1.00 0.00 N ATOM 867 CA GLN A 63 -6.982 13.197 8.538 1.00 0.00 C ATOM 868 C GLN A 63 -8.504 13.105 8.523 1.00 0.00 C ATOM 869 O GLN A 63 -9.119 12.671 9.497 1.00 0.00 O ATOM 870 CB GLN A 63 -6.547 14.590 8.996 1.00 0.00 C ATOM 871 CG GLN A 63 -6.988 15.703 8.060 1.00 0.00 C ATOM 872 CD GLN A 63 -6.577 17.077 8.553 1.00 0.00 C ATOM 873 OE1 GLN A 63 -7.195 17.634 9.461 1.00 0.00 O ATOM 874 NE2 GLN A 63 -5.530 17.632 7.955 1.00 0.00 N ATOM 0 H GLN A 63 -5.787 13.609 6.865 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.599 12.456 9.240 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -6.953 14.780 9.990 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -5.461 14.611 9.086 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -6.560 15.533 7.072 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -8.072 15.670 7.948 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.047 17.135 7.207 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.208 18.556 8.244 1.00 0.00 H new ATOM 883 N GLU A 64 -9.106 13.518 7.412 1.00 0.00 N ATOM 884 CA GLU A 64 -10.557 13.483 7.272 1.00 0.00 C ATOM 885 C GLU A 64 -11.031 12.093 6.856 1.00 0.00 C ATOM 886 O GLU A 64 -12.167 11.706 7.126 1.00 0.00 O ATOM 887 CB GLU A 64 -11.017 14.519 6.244 1.00 0.00 C ATOM 888 CG GLU A 64 -12.520 14.525 6.016 1.00 0.00 C ATOM 889 CD GLU A 64 -13.275 15.231 7.124 1.00 0.00 C ATOM 890 OE1 GLU A 64 -13.490 14.611 8.186 1.00 0.00 O ATOM 891 OE2 GLU A 64 -13.652 16.406 6.929 1.00 0.00 O ATOM 0 H GLU A 64 -8.612 13.880 6.597 1.00 0.00 H new ATOM 0 HA GLU A 64 -10.995 13.722 8.241 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.704 15.510 6.574 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -10.515 14.326 5.296 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -12.738 15.012 5.066 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -12.876 13.498 5.936 1.00 0.00 H new ATOM 898 N GLY A 65 -10.150 11.347 6.196 1.00 0.00 N ATOM 899 CA GLY A 65 -10.496 10.009 5.753 1.00 0.00 C ATOM 900 C GLY A 65 -10.931 9.974 4.301 1.00 0.00 C ATOM 901 O GLY A 65 -11.847 9.237 3.937 1.00 0.00 O ATOM 0 H GLY A 65 -9.203 11.645 5.960 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.637 9.351 5.888 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -11.298 9.618 6.379 1.00 0.00 H new ATOM 905 N LYS A 66 -10.273 10.773 3.468 1.00 0.00 N ATOM 906 CA LYS A 66 -10.596 10.832 2.048 1.00 0.00 C ATOM 907 C LYS A 66 -9.601 10.016 1.229 1.00 0.00 C ATOM 908 O LYS A 66 -8.461 9.790 1.638 1.00 0.00 O ATOM 909 CB LYS A 66 -10.601 12.284 1.564 1.00 0.00 C ATOM 910 CG LYS A 66 -11.855 13.049 1.950 1.00 0.00 C ATOM 911 CD LYS A 66 -12.950 12.885 0.910 1.00 0.00 C ATOM 912 CE LYS A 66 -13.825 11.677 1.207 1.00 0.00 C ATOM 913 NZ LYS A 66 -15.180 11.812 0.606 1.00 0.00 N ATOM 0 H LYS A 66 -9.512 11.389 3.753 1.00 0.00 H new ATOM 0 HA LYS A 66 -11.590 10.406 1.910 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -9.731 12.798 1.974 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -10.497 12.297 0.479 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -12.214 12.696 2.917 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -11.616 14.106 2.065 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -13.566 13.784 0.884 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -12.502 12.777 -0.078 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -13.345 10.777 0.822 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -13.917 11.552 2.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -15.745 10.969 0.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -15.649 12.656 0.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -15.094 11.906 -0.426 1.00 0.00 H new ATOM 927 N PRO A 67 -10.038 9.563 0.045 1.00 0.00 N ATOM 928 CA PRO A 67 -9.199 8.766 -0.856 1.00 0.00 C ATOM 929 C PRO A 67 -8.072 9.586 -1.475 1.00 0.00 C ATOM 930 O PRO A 67 -8.286 10.710 -1.931 1.00 0.00 O ATOM 931 CB PRO A 67 -10.180 8.304 -1.937 1.00 0.00 C ATOM 932 CG PRO A 67 -11.261 9.329 -1.931 1.00 0.00 C ATOM 933 CD PRO A 67 -11.384 9.793 -0.506 1.00 0.00 C ATOM 0 HA PRO A 67 -8.702 7.948 -0.334 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -9.696 8.245 -2.912 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -10.574 7.312 -1.716 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.015 10.160 -2.592 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -12.201 8.907 -2.286 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -11.667 10.844 -0.449 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -12.142 9.228 0.036 1.00 0.00 H new ATOM 941 N LYS A 68 -6.872 9.017 -1.489 1.00 0.00 N ATOM 942 CA LYS A 68 -5.710 9.694 -2.054 1.00 0.00 C ATOM 943 C LYS A 68 -5.132 8.900 -3.221 1.00 0.00 C ATOM 944 O LYS A 68 -5.268 7.678 -3.280 1.00 0.00 O ATOM 945 CB LYS A 68 -4.639 9.894 -0.979 1.00 0.00 C ATOM 946 CG LYS A 68 -5.086 10.784 0.167 1.00 0.00 C ATOM 947 CD LYS A 68 -5.157 12.242 -0.254 1.00 0.00 C ATOM 948 CE LYS A 68 -3.771 12.823 -0.488 1.00 0.00 C ATOM 949 NZ LYS A 68 -3.816 14.296 -0.703 1.00 0.00 N ATOM 0 H LYS A 68 -6.678 8.088 -1.115 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.032 10.668 -2.424 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.350 8.921 -0.581 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.751 10.327 -1.439 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.064 10.459 0.521 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.393 10.679 1.002 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -5.748 12.330 -1.165 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.670 12.819 0.515 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -3.135 12.600 0.368 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.318 12.343 -1.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.852 14.654 -0.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.403 14.508 -1.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -4.225 14.757 0.135 1.00 0.00 H new ATOM 963 N ARG A 69 -4.488 9.602 -4.147 1.00 0.00 N ATOM 964 CA ARG A 69 -3.889 8.963 -5.312 1.00 0.00 C ATOM 965 C ARG A 69 -2.540 8.344 -4.960 1.00 0.00 C ATOM 966 O ARG A 69 -1.662 9.013 -4.416 1.00 0.00 O ATOM 967 CB ARG A 69 -3.717 9.977 -6.445 1.00 0.00 C ATOM 968 CG ARG A 69 -3.059 9.397 -7.686 1.00 0.00 C ATOM 969 CD ARG A 69 -2.661 10.489 -8.667 1.00 0.00 C ATOM 970 NE ARG A 69 -3.806 11.297 -9.081 1.00 0.00 N ATOM 971 CZ ARG A 69 -3.771 12.156 -10.093 1.00 0.00 C ATOM 972 NH1 ARG A 69 -2.656 12.317 -10.792 1.00 0.00 N ATOM 973 NH2 ARG A 69 -4.854 12.855 -10.409 1.00 0.00 N ATOM 0 H ARG A 69 -4.368 10.614 -4.113 1.00 0.00 H new ATOM 0 HA ARG A 69 -4.558 8.169 -5.643 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -4.694 10.376 -6.715 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.119 10.814 -6.085 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -2.177 8.826 -7.398 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -3.744 8.702 -8.172 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.910 11.132 -8.208 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -2.200 10.037 -9.545 1.00 0.00 H new ATOM 0 HE ARG A 69 -4.680 11.196 -8.564 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -1.822 11.780 -10.553 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.632 12.978 -11.569 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -5.714 12.733 -9.874 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.826 13.515 -11.186 1.00 0.00 H new ATOM 987 N ALA A 70 -2.382 7.062 -5.273 1.00 0.00 N ATOM 988 CA ALA A 70 -1.140 6.353 -4.991 1.00 0.00 C ATOM 989 C ALA A 70 -0.699 5.521 -6.190 1.00 0.00 C ATOM 990 O ALA A 70 -1.522 4.900 -6.863 1.00 0.00 O ATOM 991 CB ALA A 70 -1.304 5.469 -3.764 1.00 0.00 C ATOM 0 H ALA A 70 -3.099 6.493 -5.722 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.365 7.093 -4.791 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.369 4.946 -3.565 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.565 6.085 -2.904 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.096 4.742 -3.943 1.00 0.00 H new ATOM 997 N ILE A 71 0.604 5.514 -6.451 1.00 0.00 N ATOM 998 CA ILE A 71 1.154 4.757 -7.569 1.00 0.00 C ATOM 999 C ILE A 71 1.535 3.344 -7.142 1.00 0.00 C ATOM 1000 O ILE A 71 2.069 3.135 -6.053 1.00 0.00 O ATOM 1001 CB ILE A 71 2.393 5.453 -8.164 1.00 0.00 C ATOM 1002 CG1 ILE A 71 2.042 6.874 -8.608 1.00 0.00 C ATOM 1003 CG2 ILE A 71 2.942 4.647 -9.332 1.00 0.00 C ATOM 1004 CD1 ILE A 71 3.214 7.830 -8.555 1.00 0.00 C ATOM 0 H ILE A 71 1.298 6.024 -5.904 1.00 0.00 H new ATOM 0 HA ILE A 71 0.375 4.706 -8.330 1.00 0.00 H new ATOM 0 HB ILE A 71 3.163 5.513 -7.395 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.655 6.843 -9.626 1.00 0.00 H new ATOM 0 HG13 ILE A 71 1.242 7.257 -7.974 1.00 0.00 H new ATOM 0 HG21 ILE A 71 3.817 5.151 -9.742 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.224 3.652 -8.987 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.178 4.560 -10.105 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.892 8.818 -8.883 1.00 0.00 H new ATOM 0 HD12 ILE A 71 3.588 7.891 -7.533 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.007 7.470 -9.211 1.00 0.00 H new ATOM 1016 N VAL A 72 1.258 2.375 -8.009 1.00 0.00 N ATOM 1017 CA VAL A 72 1.574 0.980 -7.723 1.00 0.00 C ATOM 1018 C VAL A 72 2.709 0.481 -8.610 1.00 0.00 C ATOM 1019 O VAL A 72 2.657 0.607 -9.834 1.00 0.00 O ATOM 1020 CB VAL A 72 0.345 0.074 -7.924 1.00 0.00 C ATOM 1021 CG1 VAL A 72 -0.348 0.396 -9.239 1.00 0.00 C ATOM 1022 CG2 VAL A 72 0.749 -1.391 -7.869 1.00 0.00 C ATOM 0 H VAL A 72 0.816 2.530 -8.915 1.00 0.00 H new ATOM 0 HA VAL A 72 1.884 0.933 -6.679 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.360 0.263 -7.115 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.214 -0.255 -9.363 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.674 1.436 -9.234 1.00 0.00 H new ATOM 0 HG13 VAL A 72 0.346 0.237 -10.064 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -0.132 -2.017 -8.013 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.474 -1.598 -8.656 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.195 -1.609 -6.899 1.00 0.00 H new ATOM 1032 N HIS A 73 3.736 -0.086 -7.984 1.00 0.00 N ATOM 1033 CA HIS A 73 4.885 -0.605 -8.717 1.00 0.00 C ATOM 1034 C HIS A 73 4.867 -2.131 -8.745 1.00 0.00 C ATOM 1035 O HIS A 73 4.635 -2.777 -7.723 1.00 0.00 O ATOM 1036 CB HIS A 73 6.186 -0.111 -8.084 1.00 0.00 C ATOM 1037 CG HIS A 73 7.311 0.034 -9.062 1.00 0.00 C ATOM 1038 ND1 HIS A 73 7.728 1.252 -9.556 1.00 0.00 N ATOM 1039 CD2 HIS A 73 8.109 -0.896 -9.637 1.00 0.00 C ATOM 1040 CE1 HIS A 73 8.732 1.065 -10.394 1.00 0.00 C ATOM 1041 NE2 HIS A 73 8.983 -0.230 -10.460 1.00 0.00 N ATOM 0 H HIS A 73 3.796 -0.197 -6.972 1.00 0.00 H new ATOM 0 HA HIS A 73 4.826 -0.239 -9.742 1.00 0.00 H new ATOM 0 HB2 HIS A 73 6.005 0.852 -7.606 1.00 0.00 H new ATOM 0 HB3 HIS A 73 6.485 -0.806 -7.299 1.00 0.00 H new ATOM 0 HD2 HIS A 73 8.066 -1.963 -9.478 1.00 0.00 H new ATOM 0 HE1 HIS A 73 9.258 1.839 -10.933 1.00 0.00 H new ATOM 0 HE2 HIS A 73 9.709 -0.665 -11.030 1.00 0.00 H new ATOM 1049 N ASP A 74 5.113 -2.699 -9.920 1.00 0.00 N ATOM 1050 CA ASP A 74 5.125 -4.148 -10.081 1.00 0.00 C ATOM 1051 C ASP A 74 6.518 -4.641 -10.462 1.00 0.00 C ATOM 1052 O ASP A 74 7.000 -4.378 -11.563 1.00 0.00 O ATOM 1053 CB ASP A 74 4.112 -4.573 -11.145 1.00 0.00 C ATOM 1054 CG ASP A 74 2.684 -4.257 -10.744 1.00 0.00 C ATOM 1055 OD1 ASP A 74 2.131 -4.987 -9.894 1.00 0.00 O ATOM 1056 OD2 ASP A 74 2.120 -3.280 -11.279 1.00 0.00 O ATOM 0 H ASP A 74 5.307 -2.178 -10.775 1.00 0.00 H new ATOM 0 HA ASP A 74 4.848 -4.597 -9.127 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.343 -4.069 -12.084 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.207 -5.644 -11.326 1.00 0.00 H new ATOM 1061 N ASN A 75 7.159 -5.356 -9.543 1.00 0.00 N ATOM 1062 CA ASN A 75 8.497 -5.884 -9.782 1.00 0.00 C ATOM 1063 C ASN A 75 8.440 -7.362 -10.158 1.00 0.00 C ATOM 1064 O ASN A 75 9.301 -7.864 -10.880 1.00 0.00 O ATOM 1065 CB ASN A 75 9.372 -5.695 -8.541 1.00 0.00 C ATOM 1066 CG ASN A 75 9.267 -4.295 -7.968 1.00 0.00 C ATOM 1067 OD1 ASN A 75 9.614 -3.315 -8.627 1.00 0.00 O ATOM 1068 ND2 ASN A 75 8.787 -4.196 -6.733 1.00 0.00 N ATOM 0 H ASN A 75 6.773 -5.583 -8.626 1.00 0.00 H new ATOM 0 HA ASN A 75 8.935 -5.333 -10.614 1.00 0.00 H new ATOM 0 HB2 ASN A 75 9.080 -6.419 -7.780 1.00 0.00 H new ATOM 0 HB3 ASN A 75 10.411 -5.903 -8.797 1.00 0.00 H new ATOM 0 HD21 ASN A 75 8.694 -3.280 -6.294 1.00 0.00 H new ATOM 0 HD22 ASN A 75 8.512 -5.036 -6.224 1.00 0.00 H new ATOM 1075 N LYS A 76 7.418 -8.053 -9.664 1.00 0.00 N ATOM 1076 CA LYS A 76 7.245 -9.472 -9.948 1.00 0.00 C ATOM 1077 C LYS A 76 8.478 -10.266 -9.526 1.00 0.00 C ATOM 1078 O LYS A 76 8.878 -11.214 -10.202 1.00 0.00 O ATOM 1079 CB LYS A 76 6.974 -9.686 -11.439 1.00 0.00 C ATOM 1080 CG LYS A 76 5.941 -8.731 -12.013 1.00 0.00 C ATOM 1081 CD LYS A 76 4.528 -9.157 -11.654 1.00 0.00 C ATOM 1082 CE LYS A 76 4.071 -8.529 -10.346 1.00 0.00 C ATOM 1083 NZ LYS A 76 2.598 -8.641 -10.161 1.00 0.00 N ATOM 0 H LYS A 76 6.697 -7.652 -9.064 1.00 0.00 H new ATOM 0 HA LYS A 76 6.390 -9.830 -9.374 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.908 -9.572 -11.989 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.636 -10.710 -11.595 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.125 -7.725 -11.636 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.045 -8.690 -13.097 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.846 -8.870 -12.454 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.484 -10.243 -11.572 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.579 -9.015 -9.513 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.360 -7.478 -10.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.327 -8.201 -9.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.112 -8.156 -10.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 2.324 -9.644 -10.153 1.00 0.00 H new ATOM 1097 N ASP A 77 9.073 -9.873 -8.406 1.00 0.00 N ATOM 1098 CA ASP A 77 10.259 -10.549 -7.893 1.00 0.00 C ATOM 1099 C ASP A 77 10.082 -10.916 -6.423 1.00 0.00 C ATOM 1100 O ASP A 77 11.056 -11.058 -5.686 1.00 0.00 O ATOM 1101 CB ASP A 77 11.493 -9.661 -8.064 1.00 0.00 C ATOM 1102 CG ASP A 77 11.973 -9.609 -9.501 1.00 0.00 C ATOM 1103 OD1 ASP A 77 12.032 -10.677 -10.147 1.00 0.00 O ATOM 1104 OD2 ASP A 77 12.290 -8.501 -9.980 1.00 0.00 O ATOM 0 H ASP A 77 8.754 -9.090 -7.836 1.00 0.00 H new ATOM 0 HA ASP A 77 10.399 -11.467 -8.464 1.00 0.00 H new ATOM 0 HB2 ASP A 77 11.261 -8.652 -7.725 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.296 -10.034 -7.429 1.00 0.00 H new ATOM 1109 N GLY A 78 8.829 -11.067 -6.003 1.00 0.00 N ATOM 1110 CA GLY A 78 8.547 -11.415 -4.622 1.00 0.00 C ATOM 1111 C GLY A 78 8.238 -10.200 -3.770 1.00 0.00 C ATOM 1112 O GLY A 78 7.598 -10.312 -2.723 1.00 0.00 O ATOM 0 H GLY A 78 8.005 -10.955 -6.594 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.702 -12.103 -4.589 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.403 -11.942 -4.201 1.00 0.00 H new ATOM 1116 N THR A 79 8.695 -9.034 -4.216 1.00 0.00 N ATOM 1117 CA THR A 79 8.466 -7.794 -3.486 1.00 0.00 C ATOM 1118 C THR A 79 7.559 -6.853 -4.270 1.00 0.00 C ATOM 1119 O THR A 79 7.194 -7.135 -5.412 1.00 0.00 O ATOM 1120 CB THR A 79 9.791 -7.071 -3.178 1.00 0.00 C ATOM 1121 OG1 THR A 79 10.394 -6.613 -4.393 1.00 0.00 O ATOM 1122 CG2 THR A 79 10.753 -7.995 -2.445 1.00 0.00 C ATOM 0 H THR A 79 9.226 -8.923 -5.080 1.00 0.00 H new ATOM 0 HA THR A 79 7.981 -8.065 -2.548 1.00 0.00 H new ATOM 0 HB THR A 79 9.573 -6.216 -2.538 1.00 0.00 H new ATOM 0 HG1 THR A 79 11.235 -6.153 -4.188 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.682 -7.463 -2.238 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.303 -8.318 -1.506 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.964 -8.866 -3.065 1.00 0.00 H new ATOM 1130 N TYR A 80 7.198 -5.734 -3.651 1.00 0.00 N ATOM 1131 CA TYR A 80 6.331 -4.752 -4.292 1.00 0.00 C ATOM 1132 C TYR A 80 6.604 -3.351 -3.753 1.00 0.00 C ATOM 1133 O TYR A 80 6.778 -3.159 -2.550 1.00 0.00 O ATOM 1134 CB TYR A 80 4.862 -5.117 -4.071 1.00 0.00 C ATOM 1135 CG TYR A 80 4.482 -6.468 -4.636 1.00 0.00 C ATOM 1136 CD1 TYR A 80 4.035 -6.594 -5.945 1.00 0.00 C ATOM 1137 CD2 TYR A 80 4.570 -7.617 -3.860 1.00 0.00 C ATOM 1138 CE1 TYR A 80 3.687 -7.826 -6.465 1.00 0.00 C ATOM 1139 CE2 TYR A 80 4.225 -8.852 -4.372 1.00 0.00 C ATOM 1140 CZ TYR A 80 3.784 -8.952 -5.675 1.00 0.00 C ATOM 1141 OH TYR A 80 3.438 -10.181 -6.188 1.00 0.00 O ATOM 0 H TYR A 80 7.492 -5.485 -2.707 1.00 0.00 H new ATOM 0 HA TYR A 80 6.544 -4.759 -5.361 1.00 0.00 H new ATOM 0 HB2 TYR A 80 4.651 -5.107 -3.002 1.00 0.00 H new ATOM 0 HB3 TYR A 80 4.234 -4.352 -4.527 1.00 0.00 H new ATOM 0 HD1 TYR A 80 3.958 -5.714 -6.567 1.00 0.00 H new ATOM 0 HD2 TYR A 80 4.914 -7.543 -2.839 1.00 0.00 H new ATOM 0 HE1 TYR A 80 3.341 -7.907 -7.485 1.00 0.00 H new ATOM 0 HE2 TYR A 80 4.300 -9.735 -3.755 1.00 0.00 H new ATOM 0 HH TYR A 80 3.565 -10.869 -5.502 1.00 0.00 H new ATOM 1151 N ALA A 81 6.641 -2.375 -4.655 1.00 0.00 N ATOM 1152 CA ALA A 81 6.890 -0.991 -4.272 1.00 0.00 C ATOM 1153 C ALA A 81 5.647 -0.131 -4.479 1.00 0.00 C ATOM 1154 O ALA A 81 4.846 -0.387 -5.378 1.00 0.00 O ATOM 1155 CB ALA A 81 8.061 -0.427 -5.063 1.00 0.00 C ATOM 0 H ALA A 81 6.502 -2.518 -5.655 1.00 0.00 H new ATOM 0 HA ALA A 81 7.140 -0.973 -3.211 1.00 0.00 H new ATOM 0 HB1 ALA A 81 8.236 0.607 -4.767 1.00 0.00 H new ATOM 0 HB2 ALA A 81 8.954 -1.018 -4.862 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.833 -0.466 -6.128 1.00 0.00 H new ATOM 1161 N VAL A 82 5.492 0.888 -3.640 1.00 0.00 N ATOM 1162 CA VAL A 82 4.346 1.785 -3.731 1.00 0.00 C ATOM 1163 C VAL A 82 4.742 3.218 -3.393 1.00 0.00 C ATOM 1164 O VAL A 82 5.326 3.481 -2.341 1.00 0.00 O ATOM 1165 CB VAL A 82 3.210 1.342 -2.791 1.00 0.00 C ATOM 1166 CG1 VAL A 82 2.027 2.292 -2.898 1.00 0.00 C ATOM 1167 CG2 VAL A 82 2.788 -0.086 -3.102 1.00 0.00 C ATOM 0 H VAL A 82 6.145 1.113 -2.890 1.00 0.00 H new ATOM 0 HA VAL A 82 3.992 1.742 -4.761 1.00 0.00 H new ATOM 0 HB VAL A 82 3.578 1.373 -1.765 1.00 0.00 H new ATOM 0 HG11 VAL A 82 1.234 1.963 -2.226 1.00 0.00 H new ATOM 0 HG12 VAL A 82 2.342 3.298 -2.622 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.656 2.297 -3.923 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.984 -0.383 -2.428 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.438 -0.146 -4.133 1.00 0.00 H new ATOM 0 HG23 VAL A 82 3.639 -0.754 -2.968 1.00 0.00 H new ATOM 1177 N THR A 83 4.420 4.144 -4.291 1.00 0.00 N ATOM 1178 CA THR A 83 4.743 5.550 -4.088 1.00 0.00 C ATOM 1179 C THR A 83 3.511 6.341 -3.662 1.00 0.00 C ATOM 1180 O THR A 83 2.402 6.078 -4.127 1.00 0.00 O ATOM 1181 CB THR A 83 5.328 6.182 -5.366 1.00 0.00 C ATOM 1182 OG1 THR A 83 6.431 5.401 -5.838 1.00 0.00 O ATOM 1183 CG2 THR A 83 5.785 7.609 -5.103 1.00 0.00 C ATOM 0 H THR A 83 3.936 3.945 -5.166 1.00 0.00 H new ATOM 0 HA THR A 83 5.490 5.592 -3.296 1.00 0.00 H new ATOM 0 HB THR A 83 4.547 6.202 -6.126 1.00 0.00 H new ATOM 0 HG1 THR A 83 6.796 5.808 -6.651 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.194 8.035 -6.019 1.00 0.00 H new ATOM 0 HG22 THR A 83 4.936 8.208 -4.772 1.00 0.00 H new ATOM 0 HG23 THR A 83 6.552 7.608 -4.329 1.00 0.00 H new ATOM 1191 N TYR A 84 3.713 7.309 -2.776 1.00 0.00 N ATOM 1192 CA TYR A 84 2.618 8.137 -2.286 1.00 0.00 C ATOM 1193 C TYR A 84 3.108 9.540 -1.938 1.00 0.00 C ATOM 1194 O TYR A 84 4.070 9.705 -1.187 1.00 0.00 O ATOM 1195 CB TYR A 84 1.973 7.492 -1.058 1.00 0.00 C ATOM 1196 CG TYR A 84 2.718 7.761 0.229 1.00 0.00 C ATOM 1197 CD1 TYR A 84 2.450 8.895 0.986 1.00 0.00 C ATOM 1198 CD2 TYR A 84 3.691 6.882 0.689 1.00 0.00 C ATOM 1199 CE1 TYR A 84 3.129 9.145 2.163 1.00 0.00 C ATOM 1200 CE2 TYR A 84 4.374 7.123 1.865 1.00 0.00 C ATOM 1201 CZ TYR A 84 4.090 8.256 2.599 1.00 0.00 C ATOM 1202 OH TYR A 84 4.769 8.501 3.770 1.00 0.00 O ATOM 0 H TYR A 84 4.625 7.540 -2.382 1.00 0.00 H new ATOM 0 HA TYR A 84 1.875 8.217 -3.079 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.951 7.859 -0.960 1.00 0.00 H new ATOM 0 HB3 TYR A 84 1.911 6.415 -1.214 1.00 0.00 H new ATOM 0 HD1 TYR A 84 1.698 9.593 0.649 1.00 0.00 H new ATOM 0 HD2 TYR A 84 3.917 5.994 0.117 1.00 0.00 H new ATOM 0 HE1 TYR A 84 2.909 10.032 2.739 1.00 0.00 H new ATOM 0 HE2 TYR A 84 5.126 6.428 2.208 1.00 0.00 H new ATOM 0 HH TYR A 84 4.912 7.657 4.248 1.00 0.00 H new ATOM 1212 N ILE A 85 2.439 10.547 -2.490 1.00 0.00 N ATOM 1213 CA ILE A 85 2.805 11.935 -2.238 1.00 0.00 C ATOM 1214 C ILE A 85 1.846 12.585 -1.246 1.00 0.00 C ATOM 1215 O ILE A 85 0.779 13.079 -1.610 1.00 0.00 O ATOM 1216 CB ILE A 85 2.817 12.759 -3.539 1.00 0.00 C ATOM 1217 CG1 ILE A 85 3.906 12.247 -4.483 1.00 0.00 C ATOM 1218 CG2 ILE A 85 3.027 14.234 -3.229 1.00 0.00 C ATOM 1219 CD1 ILE A 85 3.667 12.605 -5.933 1.00 0.00 C ATOM 0 H ILE A 85 1.641 10.427 -3.114 1.00 0.00 H new ATOM 0 HA ILE A 85 3.810 11.925 -1.815 1.00 0.00 H new ATOM 0 HB ILE A 85 1.852 12.645 -4.033 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.867 12.655 -4.170 1.00 0.00 H new ATOM 0 HG13 ILE A 85 3.974 11.163 -4.391 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.033 14.804 -4.158 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.219 14.590 -2.590 1.00 0.00 H new ATOM 0 HG23 ILE A 85 3.980 14.366 -2.716 1.00 0.00 H new ATOM 0 HD11 ILE A 85 4.479 12.210 -6.544 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.722 12.174 -6.263 1.00 0.00 H new ATOM 0 HD13 ILE A 85 3.628 13.689 -6.038 1.00 0.00 H new ATOM 1231 N PRO A 86 2.233 12.586 0.038 1.00 0.00 N ATOM 1232 CA PRO A 86 1.423 13.174 1.109 1.00 0.00 C ATOM 1233 C PRO A 86 1.365 14.695 1.023 1.00 0.00 C ATOM 1234 O PRO A 86 2.328 15.383 1.363 1.00 0.00 O ATOM 1235 CB PRO A 86 2.150 12.738 2.383 1.00 0.00 C ATOM 1236 CG PRO A 86 3.561 12.517 1.959 1.00 0.00 C ATOM 1237 CD PRO A 86 3.493 12.014 0.543 1.00 0.00 C ATOM 0 HA PRO A 86 0.384 12.847 1.061 1.00 0.00 H new ATOM 0 HB2 PRO A 86 2.085 13.503 3.157 1.00 0.00 H new ATOM 0 HB3 PRO A 86 1.714 11.828 2.796 1.00 0.00 H new ATOM 0 HG2 PRO A 86 4.136 13.441 2.018 1.00 0.00 H new ATOM 0 HG3 PRO A 86 4.055 11.793 2.607 1.00 0.00 H new ATOM 0 HD2 PRO A 86 4.349 12.347 -0.043 1.00 0.00 H new ATOM 0 HD3 PRO A 86 3.484 10.925 0.503 1.00 0.00 H new ATOM 1245 N ASP A 87 0.230 15.214 0.567 1.00 0.00 N ATOM 1246 CA ASP A 87 0.046 16.655 0.438 1.00 0.00 C ATOM 1247 C ASP A 87 -0.627 17.230 1.681 1.00 0.00 C ATOM 1248 O ASP A 87 -0.152 18.206 2.262 1.00 0.00 O ATOM 1249 CB ASP A 87 -0.788 16.975 -0.803 1.00 0.00 C ATOM 1250 CG ASP A 87 -0.252 16.300 -2.051 1.00 0.00 C ATOM 1251 OD1 ASP A 87 0.869 16.648 -2.479 1.00 0.00 O ATOM 1252 OD2 ASP A 87 -0.953 15.424 -2.598 1.00 0.00 O ATOM 0 H ASP A 87 -0.576 14.659 0.281 1.00 0.00 H new ATOM 0 HA ASP A 87 1.029 17.114 0.334 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.818 16.659 -0.636 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -0.806 18.054 -0.956 1.00 0.00 H new ATOM 1257 N LYS A 88 -1.736 16.620 2.082 1.00 0.00 N ATOM 1258 CA LYS A 88 -2.476 17.070 3.256 1.00 0.00 C ATOM 1259 C LYS A 88 -1.767 16.650 4.540 1.00 0.00 C ATOM 1260 O LYS A 88 -1.820 15.486 4.938 1.00 0.00 O ATOM 1261 CB LYS A 88 -3.897 16.503 3.236 1.00 0.00 C ATOM 1262 CG LYS A 88 -4.808 17.180 2.227 1.00 0.00 C ATOM 1263 CD LYS A 88 -5.248 18.553 2.706 1.00 0.00 C ATOM 1264 CE LYS A 88 -6.560 18.974 2.061 1.00 0.00 C ATOM 1265 NZ LYS A 88 -6.344 19.638 0.746 1.00 0.00 N ATOM 0 H LYS A 88 -2.143 15.812 1.611 1.00 0.00 H new ATOM 0 HA LYS A 88 -2.525 18.159 3.229 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.851 15.437 3.013 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.333 16.602 4.230 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.289 17.276 1.273 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -5.685 16.557 2.051 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.361 18.542 3.790 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.475 19.286 2.473 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -7.195 18.099 1.926 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -7.091 19.653 2.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -7.262 19.910 0.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -5.759 20.488 0.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -5.860 18.981 0.101 1.00 0.00 H new ATOM 1279 N THR A 89 -1.105 17.605 5.185 1.00 0.00 N ATOM 1280 CA THR A 89 -0.386 17.334 6.423 1.00 0.00 C ATOM 1281 C THR A 89 -1.344 16.929 7.537 1.00 0.00 C ATOM 1282 O THR A 89 -2.500 17.351 7.560 1.00 0.00 O ATOM 1283 CB THR A 89 0.427 18.560 6.881 1.00 0.00 C ATOM 1284 OG1 THR A 89 -0.451 19.664 7.131 1.00 0.00 O ATOM 1285 CG2 THR A 89 1.455 18.950 5.830 1.00 0.00 C ATOM 0 H THR A 89 -1.052 18.574 4.870 1.00 0.00 H new ATOM 0 HA THR A 89 0.298 16.510 6.218 1.00 0.00 H new ATOM 0 HB THR A 89 0.952 18.299 7.800 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.073 20.439 7.423 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.017 19.818 6.175 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.139 18.118 5.663 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.947 19.194 4.897 1.00 0.00 H new ATOM 1293 N GLY A 90 -0.856 16.108 8.462 1.00 0.00 N ATOM 1294 CA GLY A 90 -1.683 15.660 9.568 1.00 0.00 C ATOM 1295 C GLY A 90 -1.461 14.198 9.903 1.00 0.00 C ATOM 1296 O GLY A 90 -0.323 13.759 10.068 1.00 0.00 O ATOM 0 H GLY A 90 0.097 15.745 8.465 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.469 16.268 10.447 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.733 15.817 9.320 1.00 0.00 H new ATOM 1300 N ARG A 91 -2.550 13.444 10.006 1.00 0.00 N ATOM 1301 CA ARG A 91 -2.469 12.024 10.327 1.00 0.00 C ATOM 1302 C ARG A 91 -2.821 11.171 9.112 1.00 0.00 C ATOM 1303 O ARG A 91 -3.911 11.290 8.552 1.00 0.00 O ATOM 1304 CB ARG A 91 -3.405 11.688 11.489 1.00 0.00 C ATOM 1305 CG ARG A 91 -4.879 11.754 11.122 1.00 0.00 C ATOM 1306 CD ARG A 91 -5.766 11.513 12.333 1.00 0.00 C ATOM 1307 NE ARG A 91 -5.646 10.146 12.836 1.00 0.00 N ATOM 1308 CZ ARG A 91 -4.726 9.765 13.714 1.00 0.00 C ATOM 1309 NH1 ARG A 91 -3.850 10.642 14.186 1.00 0.00 N ATOM 1310 NH2 ARG A 91 -4.680 8.503 14.124 1.00 0.00 N ATOM 0 H ARG A 91 -3.499 13.793 9.872 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.443 11.801 10.620 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -3.174 10.687 11.853 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.213 12.378 12.311 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -5.105 12.730 10.693 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -5.098 11.010 10.356 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -5.499 12.215 13.123 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -6.804 11.712 12.067 1.00 0.00 H new ATOM 0 HE ARG A 91 -6.305 9.447 12.494 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.882 11.613 13.875 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -3.145 10.346 14.860 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -5.352 7.825 13.764 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -3.973 8.211 14.799 1.00 0.00 H new ATOM 1324 N TYR A 92 -1.892 10.311 8.710 1.00 0.00 N ATOM 1325 CA TYR A 92 -2.103 9.440 7.560 1.00 0.00 C ATOM 1326 C TYR A 92 -2.317 7.996 8.002 1.00 0.00 C ATOM 1327 O TYR A 92 -1.560 7.465 8.814 1.00 0.00 O ATOM 1328 CB TYR A 92 -0.909 9.521 6.606 1.00 0.00 C ATOM 1329 CG TYR A 92 -0.952 10.718 5.682 1.00 0.00 C ATOM 1330 CD1 TYR A 92 -1.867 10.780 4.638 1.00 0.00 C ATOM 1331 CD2 TYR A 92 -0.079 11.784 5.853 1.00 0.00 C ATOM 1332 CE1 TYR A 92 -1.909 11.871 3.790 1.00 0.00 C ATOM 1333 CE2 TYR A 92 -0.115 12.879 5.012 1.00 0.00 C ATOM 1334 CZ TYR A 92 -1.032 12.918 3.982 1.00 0.00 C ATOM 1335 OH TYR A 92 -1.071 14.006 3.141 1.00 0.00 O ATOM 0 H TYR A 92 -0.985 10.198 9.164 1.00 0.00 H new ATOM 0 HA TYR A 92 -2.999 9.779 7.040 1.00 0.00 H new ATOM 0 HB2 TYR A 92 0.010 9.557 7.190 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -0.871 8.611 6.007 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.556 9.963 4.487 1.00 0.00 H new ATOM 0 HD2 TYR A 92 0.641 11.756 6.658 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -2.625 11.903 2.982 1.00 0.00 H new ATOM 0 HE2 TYR A 92 0.571 13.700 5.160 1.00 0.00 H new ATOM 0 HH TYR A 92 -1.786 14.613 3.424 1.00 0.00 H new ATOM 1345 N MET A 93 -3.355 7.367 7.461 1.00 0.00 N ATOM 1346 CA MET A 93 -3.670 5.983 7.798 1.00 0.00 C ATOM 1347 C MET A 93 -3.656 5.104 6.552 1.00 0.00 C ATOM 1348 O MET A 93 -4.524 5.225 5.686 1.00 0.00 O ATOM 1349 CB MET A 93 -5.036 5.900 8.481 1.00 0.00 C ATOM 1350 CG MET A 93 -5.244 4.617 9.270 1.00 0.00 C ATOM 1351 SD MET A 93 -6.401 4.823 10.638 1.00 0.00 S ATOM 1352 CE MET A 93 -5.269 4.990 12.016 1.00 0.00 C ATOM 0 H MET A 93 -3.992 7.793 6.788 1.00 0.00 H new ATOM 0 HA MET A 93 -2.906 5.619 8.486 1.00 0.00 H new ATOM 0 HB2 MET A 93 -5.150 6.752 9.151 1.00 0.00 H new ATOM 0 HB3 MET A 93 -5.817 5.983 7.725 1.00 0.00 H new ATOM 0 HG2 MET A 93 -5.613 3.839 8.601 1.00 0.00 H new ATOM 0 HG3 MET A 93 -4.285 4.274 9.659 1.00 0.00 H new ATOM 0 HE1 MET A 93 -5.835 5.125 12.938 1.00 0.00 H new ATOM 0 HE2 MET A 93 -4.657 4.092 12.095 1.00 0.00 H new ATOM 0 HE3 MET A 93 -4.625 5.855 11.855 1.00 0.00 H new ATOM 1362 N ILE A 94 -2.668 4.220 6.467 1.00 0.00 N ATOM 1363 CA ILE A 94 -2.543 3.320 5.327 1.00 0.00 C ATOM 1364 C ILE A 94 -2.912 1.891 5.711 1.00 0.00 C ATOM 1365 O ILE A 94 -2.299 1.298 6.597 1.00 0.00 O ATOM 1366 CB ILE A 94 -1.114 3.333 4.753 1.00 0.00 C ATOM 1367 CG1 ILE A 94 -0.643 4.772 4.532 1.00 0.00 C ATOM 1368 CG2 ILE A 94 -1.058 2.546 3.453 1.00 0.00 C ATOM 1369 CD1 ILE A 94 0.861 4.908 4.436 1.00 0.00 C ATOM 0 H ILE A 94 -1.942 4.108 7.174 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.235 3.679 4.565 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.446 2.858 5.471 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.094 5.157 3.617 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -1.004 5.394 5.351 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -0.042 2.565 3.060 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -1.356 1.514 3.639 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.736 2.994 2.727 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.122 5.955 4.279 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.318 4.554 5.360 1.00 0.00 H new ATOM 0 HD13 ILE A 94 1.227 4.313 3.599 1.00 0.00 H new ATOM 1381 N GLY A 95 -3.918 1.343 5.036 1.00 0.00 N ATOM 1382 CA GLY A 95 -4.350 -0.013 5.320 1.00 0.00 C ATOM 1383 C GLY A 95 -4.059 -0.965 4.177 1.00 0.00 C ATOM 1384 O GLY A 95 -4.768 -0.974 3.170 1.00 0.00 O ATOM 0 H GLY A 95 -4.441 1.814 4.298 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -3.851 -0.369 6.221 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -5.420 -0.014 5.527 1.00 0.00 H new ATOM 1388 N VAL A 96 -3.011 -1.769 4.331 1.00 0.00 N ATOM 1389 CA VAL A 96 -2.627 -2.729 3.303 1.00 0.00 C ATOM 1390 C VAL A 96 -3.415 -4.027 3.442 1.00 0.00 C ATOM 1391 O VAL A 96 -3.616 -4.529 4.549 1.00 0.00 O ATOM 1392 CB VAL A 96 -1.121 -3.046 3.365 1.00 0.00 C ATOM 1393 CG1 VAL A 96 -0.745 -4.062 2.299 1.00 0.00 C ATOM 1394 CG2 VAL A 96 -0.303 -1.772 3.212 1.00 0.00 C ATOM 0 H VAL A 96 -2.413 -1.774 5.158 1.00 0.00 H new ATOM 0 HA VAL A 96 -2.854 -2.270 2.341 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.898 -3.480 4.340 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.323 -4.273 2.358 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.307 -4.982 2.459 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.981 -3.660 1.314 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.759 -2.014 3.258 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -0.528 -1.308 2.252 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.553 -1.080 4.017 1.00 0.00 H new ATOM 1404 N THR A 97 -3.858 -4.568 2.312 1.00 0.00 N ATOM 1405 CA THR A 97 -4.624 -5.808 2.307 1.00 0.00 C ATOM 1406 C THR A 97 -4.025 -6.821 1.337 1.00 0.00 C ATOM 1407 O THR A 97 -3.504 -6.453 0.284 1.00 0.00 O ATOM 1408 CB THR A 97 -6.095 -5.558 1.926 1.00 0.00 C ATOM 1409 OG1 THR A 97 -6.166 -4.784 0.724 1.00 0.00 O ATOM 1410 CG2 THR A 97 -6.828 -4.833 3.045 1.00 0.00 C ATOM 0 H THR A 97 -3.699 -4.167 1.388 1.00 0.00 H new ATOM 0 HA THR A 97 -4.582 -6.209 3.320 1.00 0.00 H new ATOM 0 HB THR A 97 -6.574 -6.524 1.764 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.105 -4.631 0.488 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.865 -4.667 2.753 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.798 -5.438 3.951 1.00 0.00 H new ATOM 0 HG23 THR A 97 -6.346 -3.873 3.233 1.00 0.00 H new ATOM 1418 N TYR A 98 -4.104 -8.096 1.698 1.00 0.00 N ATOM 1419 CA TYR A 98 -3.568 -9.162 0.859 1.00 0.00 C ATOM 1420 C TYR A 98 -4.553 -10.323 0.757 1.00 0.00 C ATOM 1421 O TYR A 98 -4.865 -10.976 1.752 1.00 0.00 O ATOM 1422 CB TYR A 98 -2.234 -9.659 1.420 1.00 0.00 C ATOM 1423 CG TYR A 98 -1.305 -10.219 0.366 1.00 0.00 C ATOM 1424 CD1 TYR A 98 -0.448 -9.388 -0.345 1.00 0.00 C ATOM 1425 CD2 TYR A 98 -1.284 -11.579 0.083 1.00 0.00 C ATOM 1426 CE1 TYR A 98 0.402 -9.896 -1.309 1.00 0.00 C ATOM 1427 CE2 TYR A 98 -0.437 -12.095 -0.878 1.00 0.00 C ATOM 1428 CZ TYR A 98 0.404 -11.250 -1.572 1.00 0.00 C ATOM 1429 OH TYR A 98 1.249 -11.759 -2.530 1.00 0.00 O ATOM 0 H TYR A 98 -4.534 -8.417 2.565 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.407 -8.757 -0.140 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -1.735 -8.836 1.932 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.428 -10.428 2.167 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.446 -8.327 -0.141 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.941 -12.244 0.624 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.061 -9.236 -1.854 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -0.433 -13.155 -1.085 1.00 0.00 H new ATOM 0 HH TYR A 98 1.307 -12.732 -2.431 1.00 0.00 H new ATOM 1439 N GLY A 99 -5.038 -10.574 -0.455 1.00 0.00 N ATOM 1440 CA GLY A 99 -5.982 -11.655 -0.666 1.00 0.00 C ATOM 1441 C GLY A 99 -7.233 -11.507 0.177 1.00 0.00 C ATOM 1442 O GLY A 99 -7.652 -12.447 0.850 1.00 0.00 O ATOM 0 H GLY A 99 -4.794 -10.048 -1.294 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -6.260 -11.690 -1.719 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -5.500 -12.604 -0.432 1.00 0.00 H new ATOM 1446 N GLY A 100 -7.831 -10.319 0.142 1.00 0.00 N ATOM 1447 CA GLY A 100 -9.034 -10.072 0.915 1.00 0.00 C ATOM 1448 C GLY A 100 -8.811 -10.239 2.405 1.00 0.00 C ATOM 1449 O GLY A 100 -9.715 -10.648 3.133 1.00 0.00 O ATOM 0 H GLY A 100 -7.504 -9.524 -0.407 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -9.389 -9.061 0.715 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -9.818 -10.756 0.589 1.00 0.00 H new ATOM 1453 N ASP A 101 -7.603 -9.924 2.859 1.00 0.00 N ATOM 1454 CA ASP A 101 -7.263 -10.042 4.273 1.00 0.00 C ATOM 1455 C ASP A 101 -6.191 -9.028 4.660 1.00 0.00 C ATOM 1456 O ASP A 101 -5.081 -9.049 4.128 1.00 0.00 O ATOM 1457 CB ASP A 101 -6.780 -11.459 4.586 1.00 0.00 C ATOM 1458 CG ASP A 101 -7.923 -12.405 4.897 1.00 0.00 C ATOM 1459 OD1 ASP A 101 -8.702 -12.110 5.828 1.00 0.00 O ATOM 1460 OD2 ASP A 101 -8.040 -13.440 4.208 1.00 0.00 O ATOM 0 H ASP A 101 -6.843 -9.585 2.269 1.00 0.00 H new ATOM 0 HA ASP A 101 -8.160 -9.835 4.856 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -6.215 -11.843 3.736 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -6.097 -11.428 5.435 1.00 0.00 H new ATOM 1465 N ASP A 102 -6.531 -8.141 5.589 1.00 0.00 N ATOM 1466 CA ASP A 102 -5.598 -7.119 6.048 1.00 0.00 C ATOM 1467 C ASP A 102 -4.565 -7.714 7.000 1.00 0.00 C ATOM 1468 O ASP A 102 -4.863 -8.641 7.754 1.00 0.00 O ATOM 1469 CB ASP A 102 -6.352 -5.983 6.740 1.00 0.00 C ATOM 1470 CG ASP A 102 -7.651 -5.638 6.037 1.00 0.00 C ATOM 1471 OD1 ASP A 102 -8.449 -6.563 5.780 1.00 0.00 O ATOM 1472 OD2 ASP A 102 -7.869 -4.444 5.744 1.00 0.00 O ATOM 0 H ASP A 102 -7.446 -8.109 6.039 1.00 0.00 H new ATOM 0 HA ASP A 102 -5.077 -6.721 5.177 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -6.564 -6.267 7.771 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -5.716 -5.098 6.777 1.00 0.00 H new ATOM 1477 N ILE A 103 -3.351 -7.176 6.959 1.00 0.00 N ATOM 1478 CA ILE A 103 -2.274 -7.654 7.818 1.00 0.00 C ATOM 1479 C ILE A 103 -2.498 -7.231 9.266 1.00 0.00 C ATOM 1480 O ILE A 103 -3.200 -6.262 9.554 1.00 0.00 O ATOM 1481 CB ILE A 103 -0.904 -7.131 7.348 1.00 0.00 C ATOM 1482 CG1 ILE A 103 -1.018 -5.673 6.898 1.00 0.00 C ATOM 1483 CG2 ILE A 103 -0.365 -7.998 6.220 1.00 0.00 C ATOM 1484 CD1 ILE A 103 0.318 -4.975 6.768 1.00 0.00 C ATOM 0 H ILE A 103 -3.088 -6.409 6.340 1.00 0.00 H new ATOM 0 HA ILE A 103 -2.279 -8.742 7.754 1.00 0.00 H new ATOM 0 HB ILE A 103 -0.206 -7.181 8.184 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -1.533 -5.637 5.938 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -1.636 -5.128 7.612 1.00 0.00 H new ATOM 0 HG21 ILE A 103 0.604 -7.616 5.898 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -0.252 -9.024 6.572 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -1.060 -7.977 5.381 1.00 0.00 H new ATOM 0 HD11 ILE A 103 0.161 -3.946 6.446 1.00 0.00 H new ATOM 0 HD12 ILE A 103 0.826 -4.980 7.732 1.00 0.00 H new ATOM 0 HD13 ILE A 103 0.931 -5.496 6.032 1.00 0.00 H new ATOM 1496 N PRO A 104 -1.885 -7.973 10.200 1.00 0.00 N ATOM 1497 CA PRO A 104 -2.000 -7.693 11.634 1.00 0.00 C ATOM 1498 C PRO A 104 -1.274 -6.413 12.035 1.00 0.00 C ATOM 1499 O PRO A 104 -1.211 -6.066 13.215 1.00 0.00 O ATOM 1500 CB PRO A 104 -1.338 -8.909 12.288 1.00 0.00 C ATOM 1501 CG PRO A 104 -0.391 -9.423 11.259 1.00 0.00 C ATOM 1502 CD PRO A 104 -1.032 -9.143 9.928 1.00 0.00 C ATOM 0 HA PRO A 104 -3.036 -7.540 11.937 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -0.816 -8.631 13.203 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -2.076 -9.664 12.559 1.00 0.00 H new ATOM 0 HG2 PRO A 104 0.577 -8.928 11.338 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -0.214 -10.491 11.390 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -0.288 -8.928 9.161 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -1.616 -9.993 9.576 1.00 0.00 H new ATOM 1510 N LEU A 105 -0.729 -5.714 11.046 1.00 0.00 N ATOM 1511 CA LEU A 105 -0.007 -4.470 11.295 1.00 0.00 C ATOM 1512 C LEU A 105 -0.851 -3.263 10.901 1.00 0.00 C ATOM 1513 O LEU A 105 -0.641 -2.157 11.399 1.00 0.00 O ATOM 1514 CB LEU A 105 1.312 -4.459 10.522 1.00 0.00 C ATOM 1515 CG LEU A 105 2.498 -5.138 11.208 1.00 0.00 C ATOM 1516 CD1 LEU A 105 2.909 -4.365 12.452 1.00 0.00 C ATOM 1517 CD2 LEU A 105 2.158 -6.578 11.562 1.00 0.00 C ATOM 0 H LEU A 105 -0.773 -5.987 10.064 1.00 0.00 H new ATOM 0 HA LEU A 105 0.205 -4.409 12.362 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.150 -4.943 9.559 1.00 0.00 H new ATOM 0 HB3 LEU A 105 1.581 -3.423 10.317 1.00 0.00 H new ATOM 0 HG LEU A 105 3.338 -5.145 10.514 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.754 -4.863 12.927 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.195 -3.351 12.172 1.00 0.00 H new ATOM 0 HD13 LEU A 105 2.072 -4.326 13.149 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.014 -7.045 12.049 1.00 0.00 H new ATOM 0 HD22 LEU A 105 1.303 -6.594 12.237 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.913 -7.128 10.653 1.00 0.00 H new ATOM 1529 N SER A 106 -1.808 -3.483 10.005 1.00 0.00 N ATOM 1530 CA SER A 106 -2.683 -2.412 9.542 1.00 0.00 C ATOM 1531 C SER A 106 -3.796 -2.147 10.551 1.00 0.00 C ATOM 1532 O SER A 106 -4.194 -3.022 11.320 1.00 0.00 O ATOM 1533 CB SER A 106 -3.286 -2.769 8.182 1.00 0.00 C ATOM 1534 OG SER A 106 -4.497 -3.488 8.334 1.00 0.00 O ATOM 0 H SER A 106 -1.997 -4.393 9.585 1.00 0.00 H new ATOM 0 HA SER A 106 -2.085 -1.506 9.439 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.469 -1.858 7.612 1.00 0.00 H new ATOM 0 HB3 SER A 106 -2.575 -3.365 7.611 1.00 0.00 H new ATOM 0 HG SER A 106 -4.304 -4.383 8.685 1.00 0.00 H new ATOM 1540 N PRO A 107 -4.313 -0.909 10.548 1.00 0.00 N ATOM 1541 CA PRO A 107 -3.847 0.142 9.638 1.00 0.00 C ATOM 1542 C PRO A 107 -2.441 0.623 9.978 1.00 0.00 C ATOM 1543 O PRO A 107 -1.819 0.135 10.923 1.00 0.00 O ATOM 1544 CB PRO A 107 -4.863 1.268 9.846 1.00 0.00 C ATOM 1545 CG PRO A 107 -5.393 1.050 11.221 1.00 0.00 C ATOM 1546 CD PRO A 107 -5.390 -0.439 11.435 1.00 0.00 C ATOM 0 HA PRO A 107 -3.785 -0.209 8.608 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -4.393 2.247 9.753 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -5.659 1.225 9.103 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -4.772 1.552 11.963 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -6.399 1.456 11.320 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -5.193 -0.695 12.476 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -6.350 -0.885 11.173 1.00 0.00 H new ATOM 1554 N TYR A 108 -1.945 1.582 9.205 1.00 0.00 N ATOM 1555 CA TYR A 108 -0.611 2.128 9.424 1.00 0.00 C ATOM 1556 C TYR A 108 -0.679 3.614 9.760 1.00 0.00 C ATOM 1557 O TYR A 108 -1.045 4.436 8.920 1.00 0.00 O ATOM 1558 CB TYR A 108 0.260 1.913 8.185 1.00 0.00 C ATOM 1559 CG TYR A 108 0.844 0.522 8.088 1.00 0.00 C ATOM 1560 CD1 TYR A 108 2.025 0.195 8.743 1.00 0.00 C ATOM 1561 CD2 TYR A 108 0.214 -0.467 7.342 1.00 0.00 C ATOM 1562 CE1 TYR A 108 2.562 -1.075 8.658 1.00 0.00 C ATOM 1563 CE2 TYR A 108 0.743 -1.739 7.251 1.00 0.00 C ATOM 1564 CZ TYR A 108 1.917 -2.039 7.911 1.00 0.00 C ATOM 1565 OH TYR A 108 2.448 -3.305 7.822 1.00 0.00 O ATOM 0 H TYR A 108 -2.447 1.998 8.420 1.00 0.00 H new ATOM 0 HA TYR A 108 -0.165 1.603 10.269 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -0.336 2.110 7.294 1.00 0.00 H new ATOM 0 HB3 TYR A 108 1.073 2.639 8.192 1.00 0.00 H new ATOM 0 HD1 TYR A 108 2.532 0.947 9.329 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -0.705 -0.236 6.824 1.00 0.00 H new ATOM 0 HE1 TYR A 108 3.481 -1.312 9.173 1.00 0.00 H new ATOM 0 HE2 TYR A 108 0.241 -2.495 6.666 1.00 0.00 H new ATOM 0 HH TYR A 108 3.129 -3.424 8.517 1.00 0.00 H new ATOM 1575 N ARG A 109 -0.323 3.951 10.996 1.00 0.00 N ATOM 1576 CA ARG A 109 -0.344 5.338 11.445 1.00 0.00 C ATOM 1577 C ARG A 109 0.953 6.050 11.070 1.00 0.00 C ATOM 1578 O ARG A 109 2.046 5.527 11.290 1.00 0.00 O ATOM 1579 CB ARG A 109 -0.554 5.403 12.959 1.00 0.00 C ATOM 1580 CG ARG A 109 0.552 4.733 13.757 1.00 0.00 C ATOM 1581 CD ARG A 109 0.487 5.113 15.228 1.00 0.00 C ATOM 1582 NE ARG A 109 1.294 6.293 15.525 1.00 0.00 N ATOM 1583 CZ ARG A 109 2.601 6.249 15.758 1.00 0.00 C ATOM 1584 NH1 ARG A 109 3.245 5.090 15.729 1.00 0.00 N ATOM 1585 NH2 ARG A 109 3.268 7.366 16.021 1.00 0.00 N ATOM 0 H ARG A 109 -0.017 3.283 11.703 1.00 0.00 H new ATOM 0 HA ARG A 109 -1.173 5.842 10.948 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -0.628 6.447 13.262 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -1.505 4.931 13.206 1.00 0.00 H new ATOM 0 HG2 ARG A 109 0.471 3.651 13.656 1.00 0.00 H new ATOM 0 HG3 ARG A 109 1.521 5.019 13.349 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -0.549 5.303 15.508 1.00 0.00 H new ATOM 0 HD3 ARG A 109 0.833 4.276 15.834 1.00 0.00 H new ATOM 0 HE ARG A 109 0.829 7.200 15.555 1.00 0.00 H new ATOM 0 HH11 ARG A 109 2.737 4.229 15.527 1.00 0.00 H new ATOM 0 HH12 ARG A 109 4.249 5.060 15.908 1.00 0.00 H new ATOM 0 HH21 ARG A 109 2.777 8.260 16.044 1.00 0.00 H new ATOM 0 HH22 ARG A 109 4.272 7.331 16.200 1.00 0.00 H new ATOM 1599 N ILE A 110 0.823 7.245 10.505 1.00 0.00 N ATOM 1600 CA ILE A 110 1.984 8.029 10.100 1.00 0.00 C ATOM 1601 C ILE A 110 1.658 9.518 10.070 1.00 0.00 C ATOM 1602 O ILE A 110 0.492 9.908 10.016 1.00 0.00 O ATOM 1603 CB ILE A 110 2.498 7.599 8.714 1.00 0.00 C ATOM 1604 CG1 ILE A 110 2.430 6.078 8.569 1.00 0.00 C ATOM 1605 CG2 ILE A 110 3.920 8.095 8.499 1.00 0.00 C ATOM 1606 CD1 ILE A 110 2.870 5.579 7.211 1.00 0.00 C ATOM 0 H ILE A 110 -0.074 7.692 10.317 1.00 0.00 H new ATOM 0 HA ILE A 110 2.763 7.845 10.840 1.00 0.00 H new ATOM 0 HB ILE A 110 1.859 8.046 7.952 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.056 5.620 9.335 1.00 0.00 H new ATOM 0 HG13 ILE A 110 1.407 5.749 8.754 1.00 0.00 H new ATOM 0 HG21 ILE A 110 4.269 7.783 7.515 1.00 0.00 H new ATOM 0 HG22 ILE A 110 3.939 9.183 8.563 1.00 0.00 H new ATOM 0 HG23 ILE A 110 4.572 7.675 9.265 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.795 4.492 7.181 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.229 6.008 6.441 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.903 5.877 7.031 1.00 0.00 H new ATOM 1618 N ARG A 111 2.697 10.346 10.104 1.00 0.00 N ATOM 1619 CA ARG A 111 2.522 11.794 10.080 1.00 0.00 C ATOM 1620 C ARG A 111 3.481 12.441 9.085 1.00 0.00 C ATOM 1621 O ARG A 111 4.678 12.158 9.089 1.00 0.00 O ATOM 1622 CB ARG A 111 2.746 12.379 11.476 1.00 0.00 C ATOM 1623 CG ARG A 111 3.186 13.834 11.463 1.00 0.00 C ATOM 1624 CD ARG A 111 2.977 14.491 12.818 1.00 0.00 C ATOM 1625 NE ARG A 111 1.575 14.824 13.055 1.00 0.00 N ATOM 1626 CZ ARG A 111 1.174 15.716 13.954 1.00 0.00 C ATOM 1627 NH1 ARG A 111 2.063 16.361 14.696 1.00 0.00 N ATOM 1628 NH2 ARG A 111 -0.120 15.964 14.111 1.00 0.00 N ATOM 0 H ARG A 111 3.669 10.039 10.148 1.00 0.00 H new ATOM 0 HA ARG A 111 1.501 12.007 9.764 1.00 0.00 H new ATOM 0 HB2 ARG A 111 1.823 12.292 12.049 1.00 0.00 H new ATOM 0 HB3 ARG A 111 3.499 11.785 11.993 1.00 0.00 H new ATOM 0 HG2 ARG A 111 4.239 13.894 11.187 1.00 0.00 H new ATOM 0 HG3 ARG A 111 2.625 14.378 10.703 1.00 0.00 H new ATOM 0 HD2 ARG A 111 3.328 13.822 13.603 1.00 0.00 H new ATOM 0 HD3 ARG A 111 3.580 15.397 12.878 1.00 0.00 H new ATOM 0 HE ARG A 111 0.865 14.346 12.500 1.00 0.00 H new ATOM 0 HH11 ARG A 111 3.059 16.173 14.578 1.00 0.00 H new ATOM 0 HH12 ARG A 111 1.752 17.045 15.385 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -0.807 15.470 13.541 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -0.428 16.649 14.801 1.00 0.00 H new ATOM 1642 N ALA A 112 2.945 13.311 8.235 1.00 0.00 N ATOM 1643 CA ALA A 112 3.753 13.999 7.236 1.00 0.00 C ATOM 1644 C ALA A 112 4.397 15.253 7.819 1.00 0.00 C ATOM 1645 O ALA A 112 3.763 16.305 7.907 1.00 0.00 O ATOM 1646 CB ALA A 112 2.904 14.354 6.025 1.00 0.00 C ATOM 0 H ALA A 112 1.955 13.556 8.218 1.00 0.00 H new ATOM 0 HA ALA A 112 4.550 13.325 6.923 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.520 14.867 5.287 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.496 13.443 5.587 1.00 0.00 H new ATOM 0 HB3 ALA A 112 2.087 15.006 6.332 1.00 0.00 H new ATOM 1652 N THR A 113 5.659 15.133 8.218 1.00 0.00 N ATOM 1653 CA THR A 113 6.388 16.256 8.795 1.00 0.00 C ATOM 1654 C THR A 113 6.472 17.419 7.813 1.00 0.00 C ATOM 1655 O THR A 113 7.258 17.388 6.867 1.00 0.00 O ATOM 1656 CB THR A 113 7.813 15.846 9.211 1.00 0.00 C ATOM 1657 OG1 THR A 113 8.554 15.416 8.064 1.00 0.00 O ATOM 1658 CG2 THR A 113 7.775 14.731 10.245 1.00 0.00 C ATOM 0 H THR A 113 6.198 14.269 8.152 1.00 0.00 H new ATOM 0 HA THR A 113 5.836 16.571 9.680 1.00 0.00 H new ATOM 0 HB THR A 113 8.302 16.714 9.654 1.00 0.00 H new ATOM 0 HG1 THR A 113 8.383 16.026 7.316 1.00 0.00 H new ATOM 0 HG21 THR A 113 8.793 14.458 10.523 1.00 0.00 H new ATOM 0 HG22 THR A 113 7.236 15.073 11.129 1.00 0.00 H new ATOM 0 HG23 THR A 113 7.269 13.862 9.825 1.00 0.00 H new ATOM 1666 N GLN A 114 5.658 18.444 8.046 1.00 0.00 N ATOM 1667 CA GLN A 114 5.642 19.617 7.181 1.00 0.00 C ATOM 1668 C GLN A 114 7.001 20.309 7.176 1.00 0.00 C ATOM 1669 O GLN A 114 7.673 20.388 8.205 1.00 0.00 O ATOM 1670 CB GLN A 114 4.559 20.597 7.635 1.00 0.00 C ATOM 1671 CG GLN A 114 4.007 21.459 6.511 1.00 0.00 C ATOM 1672 CD GLN A 114 2.915 22.400 6.979 1.00 0.00 C ATOM 1673 OE1 GLN A 114 2.091 22.043 7.822 1.00 0.00 O ATOM 1674 NE2 GLN A 114 2.902 23.611 6.434 1.00 0.00 N ATOM 0 H GLN A 114 5.002 18.485 8.826 1.00 0.00 H new ATOM 0 HA GLN A 114 5.420 19.286 6.167 1.00 0.00 H new ATOM 0 HB2 GLN A 114 3.741 20.037 8.087 1.00 0.00 H new ATOM 0 HB3 GLN A 114 4.969 21.244 8.410 1.00 0.00 H new ATOM 0 HG2 GLN A 114 4.818 22.040 6.072 1.00 0.00 H new ATOM 0 HG3 GLN A 114 3.614 20.815 5.724 1.00 0.00 H new ATOM 0 HE21 GLN A 114 3.604 23.865 5.739 1.00 0.00 H new ATOM 0 HE22 GLN A 114 2.190 24.287 6.711 1.00 0.00 H new ATOM 1683 N THR A 115 7.401 20.810 6.011 1.00 0.00 N ATOM 1684 CA THR A 115 8.680 21.494 5.872 1.00 0.00 C ATOM 1685 C THR A 115 8.498 22.887 5.280 1.00 0.00 C ATOM 1686 O THR A 115 8.894 23.884 5.881 1.00 0.00 O ATOM 1687 CB THR A 115 9.651 20.694 4.984 1.00 0.00 C ATOM 1688 OG1 THR A 115 9.033 20.396 3.727 1.00 0.00 O ATOM 1689 CG2 THR A 115 10.071 19.402 5.668 1.00 0.00 C ATOM 0 H THR A 115 6.857 20.755 5.150 1.00 0.00 H new ATOM 0 HA THR A 115 9.102 21.581 6.873 1.00 0.00 H new ATOM 0 HB THR A 115 10.540 21.302 4.816 1.00 0.00 H new ATOM 0 HG1 THR A 115 9.658 19.889 3.168 1.00 0.00 H new ATOM 0 HG21 THR A 115 10.757 18.854 5.021 1.00 0.00 H new ATOM 0 HG22 THR A 115 10.568 19.634 6.610 1.00 0.00 H new ATOM 0 HG23 THR A 115 9.190 18.791 5.863 1.00 0.00 H new ATOM 1697 N GLY A 116 7.894 22.948 4.097 1.00 0.00 N ATOM 1698 CA GLY A 116 7.670 24.224 3.443 1.00 0.00 C ATOM 1699 C GLY A 116 7.395 24.075 1.960 1.00 0.00 C ATOM 1700 O GLY A 116 7.841 23.114 1.333 1.00 0.00 O ATOM 0 H GLY A 116 7.556 22.136 3.580 1.00 0.00 H new ATOM 0 HA2 GLY A 116 6.828 24.729 3.917 1.00 0.00 H new ATOM 0 HA3 GLY A 116 8.544 24.860 3.585 1.00 0.00 H new ATOM 1704 N ASP A 117 6.659 25.027 1.398 1.00 0.00 N ATOM 1705 CA ASP A 117 6.325 24.998 -0.021 1.00 0.00 C ATOM 1706 C ASP A 117 5.962 26.392 -0.523 1.00 0.00 C ATOM 1707 O ASP A 117 5.241 27.134 0.143 1.00 0.00 O ATOM 1708 CB ASP A 117 5.165 24.034 -0.274 1.00 0.00 C ATOM 1709 CG ASP A 117 4.791 23.950 -1.741 1.00 0.00 C ATOM 1710 OD1 ASP A 117 4.377 24.984 -2.308 1.00 0.00 O ATOM 1711 OD2 ASP A 117 4.912 22.852 -2.322 1.00 0.00 O ATOM 0 H ASP A 117 6.282 25.829 1.904 1.00 0.00 H new ATOM 0 HA ASP A 117 7.202 24.651 -0.568 1.00 0.00 H new ATOM 0 HB2 ASP A 117 5.436 23.042 0.086 1.00 0.00 H new ATOM 0 HB3 ASP A 117 4.297 24.356 0.301 1.00 0.00 H new ATOM 1716 N ALA A 118 6.469 26.742 -1.701 1.00 0.00 N ATOM 1717 CA ALA A 118 6.198 28.046 -2.292 1.00 0.00 C ATOM 1718 C ALA A 118 6.644 28.092 -3.750 1.00 0.00 C ATOM 1719 O ALA A 118 7.216 27.131 -4.264 1.00 0.00 O ATOM 1720 CB ALA A 118 6.887 29.142 -1.493 1.00 0.00 C ATOM 0 H ALA A 118 7.070 26.140 -2.264 1.00 0.00 H new ATOM 0 HA ALA A 118 5.121 28.213 -2.263 1.00 0.00 H new ATOM 0 HB1 ALA A 118 6.676 30.110 -1.946 1.00 0.00 H new ATOM 0 HB2 ALA A 118 6.517 29.133 -0.468 1.00 0.00 H new ATOM 0 HB3 ALA A 118 7.963 28.969 -1.491 1.00 0.00 H new ATOM 1726 N SER A 119 6.377 29.214 -4.411 1.00 0.00 N ATOM 1727 CA SER A 119 6.747 29.382 -5.811 1.00 0.00 C ATOM 1728 C SER A 119 8.264 29.395 -5.974 1.00 0.00 C ATOM 1729 O SER A 119 8.947 30.274 -5.451 1.00 0.00 O ATOM 1730 CB SER A 119 6.152 30.678 -6.365 1.00 0.00 C ATOM 1731 OG SER A 119 6.716 31.812 -5.729 1.00 0.00 O ATOM 0 H SER A 119 5.906 30.020 -3.999 1.00 0.00 H new ATOM 0 HA SER A 119 6.346 28.538 -6.372 1.00 0.00 H new ATOM 0 HB2 SER A 119 6.330 30.734 -7.439 1.00 0.00 H new ATOM 0 HB3 SER A 119 5.072 30.676 -6.221 1.00 0.00 H new ATOM 0 HG SER A 119 7.604 31.585 -5.382 1.00 0.00 H new TER 1737 SER A 119