USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 882 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 57 GLN : amide:sc= 1.79 K(o=0.92,f=-4.5) USER MOD Set 1.2: A 77 ASN : amide:sc= -3.03! C(o=0.92!,f=-3.9!) USER MOD Set 1.3: A 79 SER OG : rot -81:sc= 2.17 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 37:sc= 0.123 USER MOD Single : A 6 SER OG : rot 44:sc= 0.697 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 44:sc= 0.0757 USER MOD Single : A 10 GLN : amide:sc= -0.017 K(o=-0.017,f=-0.75) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 21 SER OG : rot 180:sc= 0.0603 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.0049 X(o=-0.0049,f=-0.0065) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.623 USER MOD Single : A 47 GLN : amide:sc= -0.269 K(o=-0.27,f=-2.1!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 CYS SG : rot -39:sc= -6.94! USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0.0855 K(o=0.085,f=-3.1!) USER MOD Single : A 66 SER OG : rot 13:sc= 0.0387 USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.0145 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= -2.48 K(o=-2.5,f=-9.5!) USER MOD Single : A 80 THR OG1 : rot -126:sc= 0.544 USER MOD Single : A 84 GLN : amide:sc= -0.0452 K(o=-0.045,f=-1.1) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= -0.0732 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot -59:sc= -1.48! USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 TYR OH : rot -165:sc= 1.25 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 101:sc= 0.062 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -39.733 3.558 -16.115 1.00 0.00 N ATOM 2 CA GLY A 1 -38.935 4.223 -15.099 1.00 0.00 C ATOM 3 C GLY A 1 -39.087 3.532 -13.743 1.00 0.00 C ATOM 4 O GLY A 1 -40.097 3.707 -13.062 1.00 0.00 O ATOM 0 H1 GLY A 1 -39.612 4.046 -17.025 1.00 0.00 H new ATOM 0 H2 GLY A 1 -39.423 2.570 -16.208 1.00 0.00 H new ATOM 0 H3 GLY A 1 -40.736 3.582 -15.840 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -37.886 4.221 -15.396 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -39.241 5.266 -15.016 1.00 0.00 H new ATOM 8 N SER A 2 -38.069 2.761 -13.390 1.00 0.00 N ATOM 9 CA SER A 2 -38.077 2.042 -12.127 1.00 0.00 C ATOM 10 C SER A 2 -36.667 1.543 -11.801 1.00 0.00 C ATOM 11 O SER A 2 -36.001 0.955 -12.651 1.00 0.00 O ATOM 12 CB SER A 2 -39.059 0.869 -12.167 1.00 0.00 C ATOM 13 OG SER A 2 -38.480 -0.292 -12.755 1.00 0.00 O ATOM 0 H SER A 2 -37.233 2.618 -13.957 1.00 0.00 H new ATOM 0 HA SER A 2 -38.404 2.727 -11.345 1.00 0.00 H new ATOM 0 HB2 SER A 2 -39.388 0.637 -11.154 1.00 0.00 H new ATOM 0 HB3 SER A 2 -39.946 1.158 -12.732 1.00 0.00 H new ATOM 0 HG SER A 2 -39.138 -1.019 -12.760 1.00 0.00 H new ATOM 19 N SER A 3 -36.256 1.796 -10.567 1.00 0.00 N ATOM 20 CA SER A 3 -34.938 1.380 -10.118 1.00 0.00 C ATOM 21 C SER A 3 -35.068 0.427 -8.928 1.00 0.00 C ATOM 22 O SER A 3 -35.453 0.840 -7.836 1.00 0.00 O ATOM 23 CB SER A 3 -34.079 2.588 -9.738 1.00 0.00 C ATOM 24 OG SER A 3 -32.756 2.486 -10.258 1.00 0.00 O ATOM 0 H SER A 3 -36.812 2.284 -9.865 1.00 0.00 H new ATOM 0 HA SER A 3 -34.445 0.861 -10.940 1.00 0.00 H new ATOM 0 HB2 SER A 3 -34.547 3.498 -10.113 1.00 0.00 H new ATOM 0 HB3 SER A 3 -34.036 2.676 -8.652 1.00 0.00 H new ATOM 0 HG SER A 3 -32.240 3.276 -9.996 1.00 0.00 H new ATOM 30 N GLY A 4 -34.738 -0.831 -9.181 1.00 0.00 N ATOM 31 CA GLY A 4 -34.813 -1.847 -8.144 1.00 0.00 C ATOM 32 C GLY A 4 -33.812 -2.974 -8.407 1.00 0.00 C ATOM 33 O GLY A 4 -34.178 -4.025 -8.930 1.00 0.00 O ATOM 0 H GLY A 4 -34.418 -1.170 -10.088 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -34.611 -1.396 -7.173 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -35.823 -2.255 -8.102 1.00 0.00 H new ATOM 37 N SER A 5 -32.567 -2.715 -8.033 1.00 0.00 N ATOM 38 CA SER A 5 -31.510 -3.694 -8.222 1.00 0.00 C ATOM 39 C SER A 5 -31.483 -4.668 -7.043 1.00 0.00 C ATOM 40 O SER A 5 -31.409 -4.249 -5.888 1.00 0.00 O ATOM 41 CB SER A 5 -30.150 -3.013 -8.380 1.00 0.00 C ATOM 42 OG SER A 5 -29.880 -2.107 -7.313 1.00 0.00 O ATOM 0 H SER A 5 -32.267 -1.841 -7.600 1.00 0.00 H new ATOM 0 HA SER A 5 -31.716 -4.248 -9.138 1.00 0.00 H new ATOM 0 HB2 SER A 5 -29.367 -3.771 -8.419 1.00 0.00 H new ATOM 0 HB3 SER A 5 -30.121 -2.476 -9.328 1.00 0.00 H new ATOM 0 HG SER A 5 -30.238 -2.471 -6.476 1.00 0.00 H new ATOM 48 N SER A 6 -31.543 -5.950 -7.373 1.00 0.00 N ATOM 49 CA SER A 6 -31.525 -6.987 -6.355 1.00 0.00 C ATOM 50 C SER A 6 -31.046 -8.307 -6.962 1.00 0.00 C ATOM 51 O SER A 6 -31.847 -9.081 -7.484 1.00 0.00 O ATOM 52 CB SER A 6 -32.908 -7.163 -5.725 1.00 0.00 C ATOM 53 OG SER A 6 -33.899 -7.492 -6.694 1.00 0.00 O ATOM 0 H SER A 6 -31.604 -6.294 -8.331 1.00 0.00 H new ATOM 0 HA SER A 6 -30.833 -6.684 -5.569 1.00 0.00 H new ATOM 0 HB2 SER A 6 -32.865 -7.948 -4.970 1.00 0.00 H new ATOM 0 HB3 SER A 6 -33.193 -6.244 -5.213 1.00 0.00 H new ATOM 0 HG SER A 6 -33.546 -8.171 -7.306 1.00 0.00 H new ATOM 59 N GLY A 7 -29.742 -8.524 -6.872 1.00 0.00 N ATOM 60 CA GLY A 7 -29.147 -9.738 -7.406 1.00 0.00 C ATOM 61 C GLY A 7 -27.922 -10.153 -6.589 1.00 0.00 C ATOM 62 O GLY A 7 -26.803 -9.740 -6.889 1.00 0.00 O ATOM 0 H GLY A 7 -29.081 -7.880 -6.438 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -29.883 -10.542 -7.398 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -28.859 -9.579 -8.445 1.00 0.00 H new ATOM 66 N MET A 8 -28.175 -10.964 -5.572 1.00 0.00 N ATOM 67 CA MET A 8 -27.106 -11.439 -4.710 1.00 0.00 C ATOM 68 C MET A 8 -26.358 -12.606 -5.357 1.00 0.00 C ATOM 69 O MET A 8 -26.895 -13.707 -5.470 1.00 0.00 O ATOM 70 CB MET A 8 -27.692 -11.888 -3.370 1.00 0.00 C ATOM 71 CG MET A 8 -26.590 -12.362 -2.421 1.00 0.00 C ATOM 72 SD MET A 8 -26.196 -11.073 -1.251 1.00 0.00 S ATOM 73 CE MET A 8 -26.529 -11.931 0.279 1.00 0.00 C ATOM 0 H MET A 8 -29.105 -11.304 -5.326 1.00 0.00 H new ATOM 0 HA MET A 8 -26.401 -10.623 -4.553 1.00 0.00 H new ATOM 0 HB2 MET A 8 -28.240 -11.063 -2.914 1.00 0.00 H new ATOM 0 HB3 MET A 8 -28.407 -12.694 -3.534 1.00 0.00 H new ATOM 0 HG2 MET A 8 -26.915 -13.258 -1.892 1.00 0.00 H new ATOM 0 HG3 MET A 8 -25.700 -12.633 -2.990 1.00 0.00 H new ATOM 0 HE1 MET A 8 -26.333 -11.265 1.120 1.00 0.00 H new ATOM 0 HE2 MET A 8 -27.573 -12.245 0.301 1.00 0.00 H new ATOM 0 HE3 MET A 8 -25.885 -12.807 0.352 1.00 0.00 H new ATOM 83 N SER A 9 -25.128 -12.326 -5.765 1.00 0.00 N ATOM 84 CA SER A 9 -24.301 -13.339 -6.397 1.00 0.00 C ATOM 85 C SER A 9 -22.867 -12.826 -6.545 1.00 0.00 C ATOM 86 O SER A 9 -22.628 -11.825 -7.218 1.00 0.00 O ATOM 87 CB SER A 9 -24.865 -13.738 -7.763 1.00 0.00 C ATOM 88 OG SER A 9 -25.197 -12.601 -8.556 1.00 0.00 O ATOM 0 H SER A 9 -24.685 -11.412 -5.670 1.00 0.00 H new ATOM 0 HA SER A 9 -24.300 -14.225 -5.762 1.00 0.00 H new ATOM 0 HB2 SER A 9 -24.134 -14.349 -8.293 1.00 0.00 H new ATOM 0 HB3 SER A 9 -25.753 -14.354 -7.623 1.00 0.00 H new ATOM 0 HG SER A 9 -24.481 -11.936 -8.490 1.00 0.00 H new ATOM 94 N GLN A 10 -21.949 -13.536 -5.904 1.00 0.00 N ATOM 95 CA GLN A 10 -20.546 -13.164 -5.956 1.00 0.00 C ATOM 96 C GLN A 10 -19.702 -14.165 -5.163 1.00 0.00 C ATOM 97 O GLN A 10 -19.986 -14.434 -3.997 1.00 0.00 O ATOM 98 CB GLN A 10 -20.336 -11.740 -5.439 1.00 0.00 C ATOM 99 CG GLN A 10 -19.670 -10.863 -6.502 1.00 0.00 C ATOM 100 CD GLN A 10 -18.170 -10.725 -6.237 1.00 0.00 C ATOM 101 OE1 GLN A 10 -17.429 -11.693 -6.191 1.00 0.00 O ATOM 102 NE2 GLN A 10 -17.764 -9.470 -6.066 1.00 0.00 N ATOM 0 H GLN A 10 -22.150 -14.366 -5.347 1.00 0.00 H new ATOM 0 HA GLN A 10 -20.222 -13.189 -6.997 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -21.295 -11.307 -5.154 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -19.718 -11.763 -4.542 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -19.830 -11.297 -7.489 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -20.134 -9.877 -6.508 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -18.437 -8.705 -6.117 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -16.780 -9.273 -5.884 1.00 0.00 H new ATOM 111 N LEU A 11 -18.683 -14.689 -5.828 1.00 0.00 N ATOM 112 CA LEU A 11 -17.797 -15.654 -5.199 1.00 0.00 C ATOM 113 C LEU A 11 -16.860 -14.926 -4.234 1.00 0.00 C ATOM 114 O LEU A 11 -16.833 -15.229 -3.042 1.00 0.00 O ATOM 115 CB LEU A 11 -17.067 -16.481 -6.260 1.00 0.00 C ATOM 116 CG LEU A 11 -17.688 -17.837 -6.598 1.00 0.00 C ATOM 117 CD1 LEU A 11 -17.134 -18.380 -7.917 1.00 0.00 C ATOM 118 CD2 LEU A 11 -17.501 -18.828 -5.447 1.00 0.00 C ATOM 0 H LEU A 11 -18.451 -14.464 -6.795 1.00 0.00 H new ATOM 0 HA LEU A 11 -18.369 -16.369 -4.608 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -17.010 -15.892 -7.175 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -16.044 -16.646 -5.923 1.00 0.00 H new ATOM 0 HG LEU A 11 -18.761 -17.698 -6.732 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -17.592 -19.345 -8.134 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -17.361 -17.681 -8.722 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -16.054 -18.501 -7.836 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -17.952 -19.784 -5.713 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -16.437 -18.969 -5.257 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -17.981 -18.438 -4.549 1.00 0.00 H new ATOM 130 N GLY A 12 -16.113 -13.980 -4.785 1.00 0.00 N ATOM 131 CA GLY A 12 -15.177 -13.207 -3.987 1.00 0.00 C ATOM 132 C GLY A 12 -14.064 -12.624 -4.860 1.00 0.00 C ATOM 133 O GLY A 12 -14.280 -12.332 -6.035 1.00 0.00 O ATOM 0 H GLY A 12 -16.137 -13.732 -5.774 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -15.706 -12.401 -3.479 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -14.743 -13.841 -3.213 1.00 0.00 H new ATOM 137 N SER A 13 -12.897 -12.471 -4.252 1.00 0.00 N ATOM 138 CA SER A 13 -11.749 -11.928 -4.959 1.00 0.00 C ATOM 139 C SER A 13 -10.630 -12.969 -5.018 1.00 0.00 C ATOM 140 O SER A 13 -10.519 -13.817 -4.134 1.00 0.00 O ATOM 141 CB SER A 13 -11.247 -10.646 -4.292 1.00 0.00 C ATOM 142 OG SER A 13 -11.782 -9.478 -4.910 1.00 0.00 O ATOM 0 H SER A 13 -12.721 -12.714 -3.277 1.00 0.00 H new ATOM 0 HA SER A 13 -12.059 -11.680 -5.974 1.00 0.00 H new ATOM 0 HB2 SER A 13 -11.520 -10.655 -3.237 1.00 0.00 H new ATOM 0 HB3 SER A 13 -10.158 -10.615 -4.339 1.00 0.00 H new ATOM 0 HG SER A 13 -11.439 -8.681 -4.455 1.00 0.00 H new ATOM 148 N ARG A 14 -9.829 -12.871 -6.069 1.00 0.00 N ATOM 149 CA ARG A 14 -8.722 -13.794 -6.254 1.00 0.00 C ATOM 150 C ARG A 14 -7.527 -13.369 -5.397 1.00 0.00 C ATOM 151 O ARG A 14 -6.518 -14.070 -5.342 1.00 0.00 O ATOM 152 CB ARG A 14 -8.293 -13.851 -7.722 1.00 0.00 C ATOM 153 CG ARG A 14 -9.374 -14.506 -8.584 1.00 0.00 C ATOM 154 CD ARG A 14 -8.896 -15.851 -9.135 1.00 0.00 C ATOM 155 NE ARG A 14 -8.980 -16.888 -8.082 1.00 0.00 N ATOM 156 CZ ARG A 14 -9.055 -18.203 -8.327 1.00 0.00 C ATOM 157 NH1 ARG A 14 -9.057 -18.650 -9.590 1.00 0.00 N ATOM 158 NH2 ARG A 14 -9.127 -19.071 -7.309 1.00 0.00 N ATOM 0 H ARG A 14 -9.924 -12.167 -6.801 1.00 0.00 H new ATOM 0 HA ARG A 14 -9.060 -14.784 -5.947 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -8.094 -12.843 -8.086 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.362 -14.412 -7.811 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -10.277 -14.652 -7.992 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -9.637 -13.844 -9.409 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -9.506 -16.140 -9.991 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.869 -15.764 -9.490 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.981 -16.582 -7.109 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -9.001 -17.989 -10.365 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -9.114 -19.651 -9.777 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -9.125 -18.731 -6.347 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -9.184 -20.072 -7.496 1.00 0.00 H new ATOM 172 N GLY A 15 -7.682 -12.224 -4.750 1.00 0.00 N ATOM 173 CA GLY A 15 -6.628 -11.697 -3.898 1.00 0.00 C ATOM 174 C GLY A 15 -7.039 -10.358 -3.282 1.00 0.00 C ATOM 175 O GLY A 15 -8.115 -9.840 -3.576 1.00 0.00 O ATOM 0 H GLY A 15 -8.521 -11.646 -4.798 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.404 -12.412 -3.106 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.715 -11.569 -4.480 1.00 0.00 H new ATOM 179 N ARG A 16 -6.160 -9.837 -2.440 1.00 0.00 N ATOM 180 CA ARG A 16 -6.417 -8.568 -1.780 1.00 0.00 C ATOM 181 C ARG A 16 -5.103 -7.832 -1.513 1.00 0.00 C ATOM 182 O ARG A 16 -4.161 -8.412 -0.974 1.00 0.00 O ATOM 183 CB ARG A 16 -7.156 -8.775 -0.456 1.00 0.00 C ATOM 184 CG ARG A 16 -8.445 -9.573 -0.666 1.00 0.00 C ATOM 185 CD ARG A 16 -9.471 -8.758 -1.456 1.00 0.00 C ATOM 186 NE ARG A 16 -10.573 -8.331 -0.565 1.00 0.00 N ATOM 187 CZ ARG A 16 -11.610 -7.580 -0.960 1.00 0.00 C ATOM 188 NH1 ARG A 16 -11.694 -7.169 -2.232 1.00 0.00 N ATOM 189 NH2 ARG A 16 -12.564 -7.241 -0.082 1.00 0.00 N ATOM 0 H ARG A 16 -5.269 -10.270 -2.199 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.043 -7.971 -2.443 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.510 -9.300 0.247 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -7.391 -7.808 -0.012 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -8.222 -10.498 -1.198 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -8.864 -9.854 0.300 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -8.991 -7.885 -1.899 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -9.867 -9.355 -2.278 1.00 0.00 H new ATOM 0 HE ARG A 16 -10.541 -8.627 0.411 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -10.968 -7.428 -2.901 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -12.484 -6.597 -2.532 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -12.501 -7.555 0.887 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -13.354 -6.669 -0.382 1.00 0.00 H new ATOM 203 N LEU A 17 -5.080 -6.566 -1.902 1.00 0.00 N ATOM 204 CA LEU A 17 -3.897 -5.745 -1.711 1.00 0.00 C ATOM 205 C LEU A 17 -3.901 -5.174 -0.291 1.00 0.00 C ATOM 206 O LEU A 17 -4.946 -4.774 0.218 1.00 0.00 O ATOM 207 CB LEU A 17 -3.804 -4.677 -2.803 1.00 0.00 C ATOM 208 CG LEU A 17 -3.526 -5.187 -4.218 1.00 0.00 C ATOM 209 CD1 LEU A 17 -4.325 -4.393 -5.254 1.00 0.00 C ATOM 210 CD2 LEU A 17 -2.026 -5.176 -4.520 1.00 0.00 C ATOM 0 H LEU A 17 -5.863 -6.088 -2.349 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.995 -6.348 -1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.739 -4.118 -2.817 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.017 -3.974 -2.530 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.859 -6.223 -4.279 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -4.109 -4.776 -6.251 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.391 -4.496 -5.049 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.045 -3.341 -5.201 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.856 -5.543 -5.532 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.645 -4.158 -4.434 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.507 -5.819 -3.809 1.00 0.00 H new ATOM 222 N TRP A 18 -2.719 -5.156 0.308 1.00 0.00 N ATOM 223 CA TRP A 18 -2.573 -4.641 1.658 1.00 0.00 C ATOM 224 C TRP A 18 -1.083 -4.410 1.918 1.00 0.00 C ATOM 225 O TRP A 18 -0.236 -5.095 1.346 1.00 0.00 O ATOM 226 CB TRP A 18 -3.218 -5.583 2.677 1.00 0.00 C ATOM 227 CG TRP A 18 -2.786 -7.043 2.535 1.00 0.00 C ATOM 228 CD1 TRP A 18 -3.346 -7.999 1.781 1.00 0.00 C ATOM 229 CD2 TRP A 18 -1.673 -7.679 3.198 1.00 0.00 C ATOM 230 NE1 TRP A 18 -2.678 -9.200 1.909 1.00 0.00 N ATOM 231 CE2 TRP A 18 -1.629 -8.999 2.798 1.00 0.00 C ATOM 232 CE3 TRP A 18 -0.735 -7.157 4.105 1.00 0.00 C ATOM 233 CZ2 TRP A 18 -0.665 -9.907 3.255 1.00 0.00 C ATOM 234 CZ3 TRP A 18 0.221 -8.076 4.553 1.00 0.00 C ATOM 235 CH2 TRP A 18 0.280 -9.408 4.160 1.00 0.00 C ATOM 0 H TRP A 18 -1.854 -5.490 -0.117 1.00 0.00 H new ATOM 0 HA TRP A 18 -3.097 -3.691 1.767 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -2.972 -5.238 3.681 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -4.302 -5.524 2.576 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -4.211 -7.849 1.152 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -2.911 -10.074 1.438 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -0.751 -6.127 4.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.651 -10.936 2.927 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 0.965 -7.726 5.253 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.051 -10.055 4.551 1.00 0.00 H new ATOM 246 N LEU A 19 -0.808 -3.443 2.781 1.00 0.00 N ATOM 247 CA LEU A 19 0.565 -3.113 3.123 1.00 0.00 C ATOM 248 C LEU A 19 1.004 -3.957 4.321 1.00 0.00 C ATOM 249 O LEU A 19 0.199 -4.258 5.201 1.00 0.00 O ATOM 250 CB LEU A 19 0.716 -1.607 3.344 1.00 0.00 C ATOM 251 CG LEU A 19 0.294 -0.712 2.176 1.00 0.00 C ATOM 252 CD1 LEU A 19 0.465 -1.438 0.840 1.00 0.00 C ATOM 253 CD2 LEU A 19 -1.133 -0.195 2.369 1.00 0.00 C ATOM 0 H LEU A 19 -1.513 -2.877 3.254 1.00 0.00 H new ATOM 0 HA LEU A 19 1.232 -3.359 2.297 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.130 -1.328 4.220 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.760 -1.397 3.578 1.00 0.00 H new ATOM 0 HG LEU A 19 0.951 0.157 2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.158 -0.780 0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.511 -1.715 0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.152 -2.336 0.833 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.408 0.438 1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.821 -1.039 2.429 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.189 0.384 3.291 1.00 0.00 H new ATOM 265 N GLN A 20 2.280 -4.315 4.317 1.00 0.00 N ATOM 266 CA GLN A 20 2.836 -5.118 5.393 1.00 0.00 C ATOM 267 C GLN A 20 4.011 -4.389 6.048 1.00 0.00 C ATOM 268 O GLN A 20 5.105 -4.342 5.489 1.00 0.00 O ATOM 269 CB GLN A 20 3.261 -6.497 4.884 1.00 0.00 C ATOM 270 CG GLN A 20 3.521 -7.455 6.049 1.00 0.00 C ATOM 271 CD GLN A 20 3.709 -8.888 5.548 1.00 0.00 C ATOM 272 OE1 GLN A 20 4.212 -9.134 4.464 1.00 0.00 O ATOM 273 NE2 GLN A 20 3.279 -9.818 6.396 1.00 0.00 N ATOM 0 H GLN A 20 2.945 -4.064 3.585 1.00 0.00 H new ATOM 0 HA GLN A 20 2.062 -5.267 6.146 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.484 -6.906 4.239 1.00 0.00 H new ATOM 0 HB3 GLN A 20 4.162 -6.403 4.278 1.00 0.00 H new ATOM 0 HG2 GLN A 20 4.409 -7.137 6.595 1.00 0.00 H new ATOM 0 HG3 GLN A 20 2.686 -7.417 6.749 1.00 0.00 H new ATOM 0 HE21 GLN A 20 2.867 -9.544 7.288 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.361 -10.806 6.154 1.00 0.00 H new ATOM 282 N SER A 21 3.743 -3.838 7.223 1.00 0.00 N ATOM 283 CA SER A 21 4.765 -3.113 7.959 1.00 0.00 C ATOM 284 C SER A 21 5.534 -4.073 8.869 1.00 0.00 C ATOM 285 O SER A 21 4.932 -4.876 9.581 1.00 0.00 O ATOM 286 CB SER A 21 4.150 -1.979 8.782 1.00 0.00 C ATOM 287 OG SER A 21 2.751 -2.163 8.983 1.00 0.00 O ATOM 0 H SER A 21 2.834 -3.879 7.683 1.00 0.00 H new ATOM 0 HA SER A 21 5.456 -2.671 7.241 1.00 0.00 H new ATOM 0 HB2 SER A 21 4.650 -1.920 9.749 1.00 0.00 H new ATOM 0 HB3 SER A 21 4.322 -1.029 8.276 1.00 0.00 H new ATOM 0 HG SER A 21 2.396 -1.420 9.514 1.00 0.00 H new ATOM 293 N PRO A 22 6.888 -3.955 8.816 1.00 0.00 N ATOM 294 CA PRO A 22 7.745 -4.803 9.626 1.00 0.00 C ATOM 295 C PRO A 22 7.730 -4.358 11.090 1.00 0.00 C ATOM 296 O PRO A 22 8.026 -3.203 11.395 1.00 0.00 O ATOM 297 CB PRO A 22 9.120 -4.697 8.988 1.00 0.00 C ATOM 298 CG PRO A 22 9.087 -3.441 8.132 1.00 0.00 C ATOM 299 CD PRO A 22 7.635 -3.016 7.984 1.00 0.00 C ATOM 0 HA PRO A 22 7.410 -5.840 9.649 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.899 -4.631 9.748 1.00 0.00 H new ATOM 0 HB3 PRO A 22 9.338 -5.577 8.382 1.00 0.00 H new ATOM 0 HG2 PRO A 22 9.672 -2.647 8.596 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.530 -3.633 7.155 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.487 -1.988 8.316 1.00 0.00 H new ATOM 0 HD3 PRO A 22 7.312 -3.065 6.944 1.00 0.00 H new ATOM 307 N THR A 23 7.382 -5.297 11.957 1.00 0.00 N ATOM 308 CA THR A 23 7.324 -5.016 13.382 1.00 0.00 C ATOM 309 C THR A 23 6.878 -3.573 13.623 1.00 0.00 C ATOM 310 O THR A 23 7.362 -2.915 14.543 1.00 0.00 O ATOM 311 CB THR A 23 8.694 -5.337 13.983 1.00 0.00 C ATOM 312 OG1 THR A 23 8.725 -6.761 14.036 1.00 0.00 O ATOM 313 CG2 THR A 23 8.806 -4.908 15.447 1.00 0.00 C ATOM 0 H THR A 23 7.137 -6.253 11.701 1.00 0.00 H new ATOM 0 HA THR A 23 6.581 -5.640 13.878 1.00 0.00 H new ATOM 0 HB THR A 23 9.471 -4.843 13.399 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.581 -7.056 14.412 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.797 -5.159 15.825 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.650 -3.832 15.524 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.051 -5.427 16.037 1.00 0.00 H new ATOM 321 N GLY A 24 5.961 -3.122 12.780 1.00 0.00 N ATOM 322 CA GLY A 24 5.444 -1.768 12.890 1.00 0.00 C ATOM 323 C GLY A 24 4.540 -1.624 14.116 1.00 0.00 C ATOM 324 O GLY A 24 4.758 -0.750 14.954 1.00 0.00 O ATOM 0 H GLY A 24 5.562 -3.670 12.018 1.00 0.00 H new ATOM 0 HA2 GLY A 24 6.273 -1.063 12.960 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.885 -1.514 11.990 1.00 0.00 H new ATOM 328 N GLY A 25 3.544 -2.496 14.183 1.00 0.00 N ATOM 329 CA GLY A 25 2.606 -2.477 15.292 1.00 0.00 C ATOM 330 C GLY A 25 1.164 -2.581 14.793 1.00 0.00 C ATOM 331 O GLY A 25 0.383 -3.383 15.303 1.00 0.00 O ATOM 0 H GLY A 25 3.367 -3.220 13.487 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.821 -3.304 15.969 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.731 -1.557 15.863 1.00 0.00 H new ATOM 335 N PRO A 26 0.846 -1.738 13.774 1.00 0.00 N ATOM 336 CA PRO A 26 -0.489 -1.728 13.200 1.00 0.00 C ATOM 337 C PRO A 26 -0.710 -2.948 12.304 1.00 0.00 C ATOM 338 O PRO A 26 0.245 -3.513 11.772 1.00 0.00 O ATOM 339 CB PRO A 26 -0.582 -0.412 12.445 1.00 0.00 C ATOM 340 CG PRO A 26 0.850 0.051 12.235 1.00 0.00 C ATOM 341 CD PRO A 26 1.745 -0.775 13.145 1.00 0.00 C ATOM 0 HA PRO A 26 -1.272 -1.795 13.955 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -1.093 -0.544 11.492 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -1.151 0.324 13.012 1.00 0.00 H new ATOM 0 HG2 PRO A 26 1.143 -0.076 11.193 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.946 1.112 12.466 1.00 0.00 H new ATOM 0 HD2 PRO A 26 2.530 -1.277 12.579 1.00 0.00 H new ATOM 0 HD3 PRO A 26 2.239 -0.150 13.889 1.00 0.00 H new ATOM 349 N PRO A 27 -2.007 -3.329 12.161 1.00 0.00 N ATOM 350 CA PRO A 27 -2.366 -4.472 11.339 1.00 0.00 C ATOM 351 C PRO A 27 -2.266 -4.130 9.851 1.00 0.00 C ATOM 352 O PRO A 27 -2.035 -2.978 9.490 1.00 0.00 O ATOM 353 CB PRO A 27 -3.776 -4.841 11.771 1.00 0.00 C ATOM 354 CG PRO A 27 -4.328 -3.616 12.481 1.00 0.00 C ATOM 355 CD PRO A 27 -3.164 -2.684 12.776 1.00 0.00 C ATOM 0 HA PRO A 27 -1.690 -5.316 11.474 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.392 -5.105 10.911 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.768 -5.706 12.434 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -5.069 -3.115 11.858 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.830 -3.904 13.405 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -3.334 -1.693 12.356 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -3.022 -2.556 13.849 1.00 0.00 H new ATOM 363 N PRO A 28 -2.450 -5.180 9.007 1.00 0.00 N ATOM 364 CA PRO A 28 -2.383 -5.003 7.566 1.00 0.00 C ATOM 365 C PRO A 28 -3.644 -4.314 7.040 1.00 0.00 C ATOM 366 O PRO A 28 -4.732 -4.886 7.082 1.00 0.00 O ATOM 367 CB PRO A 28 -2.193 -6.403 7.005 1.00 0.00 C ATOM 368 CG PRO A 28 -2.625 -7.356 8.108 1.00 0.00 C ATOM 369 CD PRO A 28 -2.726 -6.559 9.399 1.00 0.00 C ATOM 0 HA PRO A 28 -1.564 -4.352 7.260 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -2.792 -6.548 6.106 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -1.153 -6.574 6.726 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -3.585 -7.812 7.865 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -1.905 -8.167 8.215 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.716 -6.653 9.846 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.008 -6.911 10.139 1.00 0.00 H new ATOM 377 N ILE A 29 -3.455 -3.095 6.556 1.00 0.00 N ATOM 378 CA ILE A 29 -4.564 -2.322 6.022 1.00 0.00 C ATOM 379 C ILE A 29 -4.922 -2.846 4.630 1.00 0.00 C ATOM 380 O ILE A 29 -4.075 -2.881 3.739 1.00 0.00 O ATOM 381 CB ILE A 29 -4.237 -0.827 6.050 1.00 0.00 C ATOM 382 CG1 ILE A 29 -4.259 -0.288 7.482 1.00 0.00 C ATOM 383 CG2 ILE A 29 -5.174 -0.044 5.129 1.00 0.00 C ATOM 384 CD1 ILE A 29 -2.842 -0.008 7.985 1.00 0.00 C ATOM 0 H ILE A 29 -2.551 -2.624 6.522 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.449 -2.444 6.647 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.224 -0.691 5.670 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.850 0.627 7.521 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -4.746 -1.009 8.138 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.920 1.015 5.167 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.066 -0.406 4.107 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -6.205 -0.182 5.456 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.887 0.374 9.005 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -2.261 -0.930 7.968 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -2.367 0.732 7.341 1.00 0.00 H new ATOM 396 N PHE A 30 -6.178 -3.241 4.487 1.00 0.00 N ATOM 397 CA PHE A 30 -6.659 -3.763 3.219 1.00 0.00 C ATOM 398 C PHE A 30 -7.223 -2.642 2.344 1.00 0.00 C ATOM 399 O PHE A 30 -8.330 -2.161 2.582 1.00 0.00 O ATOM 400 CB PHE A 30 -7.778 -4.756 3.539 1.00 0.00 C ATOM 401 CG PHE A 30 -7.280 -6.144 3.945 1.00 0.00 C ATOM 402 CD1 PHE A 30 -6.991 -6.409 5.248 1.00 0.00 C ATOM 403 CD2 PHE A 30 -7.126 -7.114 3.005 1.00 0.00 C ATOM 404 CE1 PHE A 30 -6.529 -7.697 5.625 1.00 0.00 C ATOM 405 CE2 PHE A 30 -6.664 -8.403 3.382 1.00 0.00 C ATOM 406 CZ PHE A 30 -6.375 -8.667 4.685 1.00 0.00 C ATOM 0 H PHE A 30 -6.878 -3.210 5.228 1.00 0.00 H new ATOM 0 HA PHE A 30 -5.840 -4.235 2.676 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.390 -4.351 4.345 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.424 -4.854 2.666 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -7.113 -5.639 5.995 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.355 -6.904 1.971 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -6.300 -7.907 6.659 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.542 -9.173 2.635 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.023 -9.647 4.972 1.00 0.00 H new ATOM 416 N LEU A 31 -6.437 -2.258 1.349 1.00 0.00 N ATOM 417 CA LEU A 31 -6.844 -1.203 0.437 1.00 0.00 C ATOM 418 C LEU A 31 -8.197 -1.563 -0.181 1.00 0.00 C ATOM 419 O LEU A 31 -8.606 -2.723 -0.156 1.00 0.00 O ATOM 420 CB LEU A 31 -5.748 -0.935 -0.596 1.00 0.00 C ATOM 421 CG LEU A 31 -4.309 -1.117 -0.110 1.00 0.00 C ATOM 422 CD1 LEU A 31 -3.322 -0.411 -1.041 1.00 0.00 C ATOM 423 CD2 LEU A 31 -4.158 -0.655 1.341 1.00 0.00 C ATOM 0 H LEU A 31 -5.520 -2.659 1.154 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.978 -0.265 0.975 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.909 -1.596 -1.447 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.861 0.086 -0.960 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.072 -2.181 -0.136 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.307 -0.556 -0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.407 -0.828 -2.045 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.548 0.655 -1.070 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.126 -0.795 1.662 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.421 0.400 1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.819 -1.240 1.980 1.00 0.00 H new ATOM 435 N PRO A 32 -8.871 -0.520 -0.736 1.00 0.00 N ATOM 436 CA PRO A 32 -10.169 -0.715 -1.359 1.00 0.00 C ATOM 437 C PRO A 32 -10.026 -1.392 -2.724 1.00 0.00 C ATOM 438 O PRO A 32 -8.918 -1.526 -3.241 1.00 0.00 O ATOM 439 CB PRO A 32 -10.775 0.676 -1.448 1.00 0.00 C ATOM 440 CG PRO A 32 -9.615 1.647 -1.301 1.00 0.00 C ATOM 441 CD PRO A 32 -8.417 0.867 -0.784 1.00 0.00 C ATOM 0 HA PRO A 32 -10.814 -1.381 -0.786 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.286 0.819 -2.400 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -11.515 0.830 -0.663 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -9.383 2.112 -2.259 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -9.874 2.450 -0.611 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -7.557 0.979 -1.444 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -8.111 1.218 0.202 1.00 0.00 H new ATOM 449 N SER A 33 -11.162 -1.802 -3.267 1.00 0.00 N ATOM 450 CA SER A 33 -11.177 -2.463 -4.561 1.00 0.00 C ATOM 451 C SER A 33 -11.895 -1.585 -5.589 1.00 0.00 C ATOM 452 O SER A 33 -11.649 -1.699 -6.788 1.00 0.00 O ATOM 453 CB SER A 33 -11.850 -3.834 -4.472 1.00 0.00 C ATOM 454 OG SER A 33 -13.257 -3.727 -4.273 1.00 0.00 O ATOM 0 H SER A 33 -12.079 -1.689 -2.835 1.00 0.00 H new ATOM 0 HA SER A 33 -10.146 -2.615 -4.879 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.655 -4.393 -5.387 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.410 -4.401 -3.652 1.00 0.00 H new ATOM 0 HG SER A 33 -13.649 -4.624 -4.223 1.00 0.00 H new ATOM 460 N ASP A 34 -12.770 -0.729 -5.080 1.00 0.00 N ATOM 461 CA ASP A 34 -13.525 0.167 -5.938 1.00 0.00 C ATOM 462 C ASP A 34 -12.616 1.306 -6.405 1.00 0.00 C ATOM 463 O ASP A 34 -12.940 2.479 -6.221 1.00 0.00 O ATOM 464 CB ASP A 34 -14.707 0.783 -5.187 1.00 0.00 C ATOM 465 CG ASP A 34 -15.739 -0.221 -4.671 1.00 0.00 C ATOM 466 OD1 ASP A 34 -15.334 -1.089 -3.868 1.00 0.00 O ATOM 467 OD2 ASP A 34 -16.910 -0.098 -5.091 1.00 0.00 O ATOM 0 H ASP A 34 -12.972 -0.638 -4.084 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.897 -0.411 -6.784 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -14.323 1.354 -4.341 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -15.209 1.490 -5.847 1.00 0.00 H new ATOM 472 N GLY A 35 -11.496 0.921 -7.000 1.00 0.00 N ATOM 473 CA GLY A 35 -10.539 1.896 -7.494 1.00 0.00 C ATOM 474 C GLY A 35 -10.528 3.148 -6.615 1.00 0.00 C ATOM 475 O GLY A 35 -10.393 4.263 -7.118 1.00 0.00 O ATOM 0 H GLY A 35 -11.230 -0.052 -7.151 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.543 1.454 -7.516 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -10.789 2.169 -8.519 1.00 0.00 H new ATOM 479 N GLN A 36 -10.671 2.923 -5.317 1.00 0.00 N ATOM 480 CA GLN A 36 -10.680 4.020 -4.364 1.00 0.00 C ATOM 481 C GLN A 36 -9.248 4.414 -3.996 1.00 0.00 C ATOM 482 O GLN A 36 -8.292 3.777 -4.436 1.00 0.00 O ATOM 483 CB GLN A 36 -11.487 3.656 -3.116 1.00 0.00 C ATOM 484 CG GLN A 36 -12.769 4.486 -3.031 1.00 0.00 C ATOM 485 CD GLN A 36 -12.975 5.032 -1.616 1.00 0.00 C ATOM 486 OE1 GLN A 36 -12.285 5.931 -1.164 1.00 0.00 O ATOM 487 NE2 GLN A 36 -13.960 4.441 -0.946 1.00 0.00 N ATOM 0 H GLN A 36 -10.782 1.997 -4.903 1.00 0.00 H new ATOM 0 HA GLN A 36 -11.164 4.878 -4.831 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -11.737 2.595 -3.137 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -10.881 3.823 -2.225 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.719 5.312 -3.740 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -13.624 3.872 -3.316 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.499 3.694 -1.385 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -14.177 4.735 0.006 1.00 0.00 H new ATOM 496 N ALA A 37 -9.145 5.462 -3.192 1.00 0.00 N ATOM 497 CA ALA A 37 -7.846 5.949 -2.759 1.00 0.00 C ATOM 498 C ALA A 37 -7.819 6.028 -1.232 1.00 0.00 C ATOM 499 O ALA A 37 -8.631 6.728 -0.628 1.00 0.00 O ATOM 500 CB ALA A 37 -7.561 7.300 -3.419 1.00 0.00 C ATOM 0 H ALA A 37 -9.940 5.988 -2.829 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.057 5.263 -3.067 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.587 7.665 -3.094 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.562 7.183 -4.503 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.331 8.015 -3.131 1.00 0.00 H new ATOM 506 N LEU A 38 -6.876 5.301 -0.650 1.00 0.00 N ATOM 507 CA LEU A 38 -6.733 5.281 0.796 1.00 0.00 C ATOM 508 C LEU A 38 -5.594 6.217 1.204 1.00 0.00 C ATOM 509 O LEU A 38 -4.424 5.911 0.982 1.00 0.00 O ATOM 510 CB LEU A 38 -6.558 3.846 1.297 1.00 0.00 C ATOM 511 CG LEU A 38 -7.046 3.568 2.720 1.00 0.00 C ATOM 512 CD1 LEU A 38 -8.523 3.935 2.875 1.00 0.00 C ATOM 513 CD2 LEU A 38 -6.771 2.117 3.121 1.00 0.00 C ATOM 0 H LEU A 38 -6.204 4.722 -1.153 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.639 5.653 1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.085 3.178 0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.500 3.589 1.240 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.483 4.203 3.404 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.844 3.728 3.896 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.659 4.995 2.660 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.120 3.344 2.180 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.128 1.946 4.137 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.290 1.446 2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.699 1.924 3.076 1.00 0.00 H new ATOM 525 N VAL A 39 -5.976 7.340 1.795 1.00 0.00 N ATOM 526 CA VAL A 39 -5.002 8.323 2.237 1.00 0.00 C ATOM 527 C VAL A 39 -4.287 7.801 3.485 1.00 0.00 C ATOM 528 O VAL A 39 -4.933 7.371 4.440 1.00 0.00 O ATOM 529 CB VAL A 39 -5.685 9.674 2.459 1.00 0.00 C ATOM 530 CG1 VAL A 39 -5.027 10.438 3.610 1.00 0.00 C ATOM 531 CG2 VAL A 39 -5.684 10.507 1.176 1.00 0.00 C ATOM 0 H VAL A 39 -6.948 7.591 1.978 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.243 8.480 1.470 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.723 9.484 2.733 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.531 11.395 3.747 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.104 9.853 4.526 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.976 10.612 3.378 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.175 11.462 1.362 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.657 10.683 0.858 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.219 9.970 0.393 1.00 0.00 H new ATOM 541 N LEU A 40 -2.964 7.857 3.437 1.00 0.00 N ATOM 542 CA LEU A 40 -2.155 7.395 4.552 1.00 0.00 C ATOM 543 C LEU A 40 -1.505 8.599 5.238 1.00 0.00 C ATOM 544 O LEU A 40 -1.604 9.724 4.750 1.00 0.00 O ATOM 545 CB LEU A 40 -1.153 6.338 4.086 1.00 0.00 C ATOM 546 CG LEU A 40 -1.718 4.935 3.851 1.00 0.00 C ATOM 547 CD1 LEU A 40 -0.593 3.915 3.665 1.00 0.00 C ATOM 548 CD2 LEU A 40 -2.674 4.534 4.976 1.00 0.00 C ATOM 0 H LEU A 40 -2.432 8.215 2.644 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.779 6.902 5.297 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.695 6.684 3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.357 6.268 4.828 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.296 4.950 2.927 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.022 2.927 3.500 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.014 4.196 2.804 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.031 3.895 4.558 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.061 3.533 4.785 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.141 4.541 5.927 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.502 5.241 5.019 1.00 0.00 H new ATOM 560 N GLY A 41 -0.854 8.321 6.357 1.00 0.00 N ATOM 561 CA GLY A 41 -0.187 9.367 7.114 1.00 0.00 C ATOM 562 C GLY A 41 -0.338 9.136 8.619 1.00 0.00 C ATOM 563 O GLY A 41 -0.530 8.004 9.061 1.00 0.00 O ATOM 0 H GLY A 41 -0.774 7.387 6.758 1.00 0.00 H new ATOM 0 HA2 GLY A 41 0.870 9.393 6.851 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.606 10.337 6.848 1.00 0.00 H new ATOM 567 N ARG A 42 -0.244 10.226 9.366 1.00 0.00 N ATOM 568 CA ARG A 42 -0.368 10.156 10.812 1.00 0.00 C ATOM 569 C ARG A 42 -1.700 9.513 11.201 1.00 0.00 C ATOM 570 O ARG A 42 -2.697 9.667 10.496 1.00 0.00 O ATOM 571 CB ARG A 42 -0.279 11.548 11.441 1.00 0.00 C ATOM 572 CG ARG A 42 1.013 11.705 12.245 1.00 0.00 C ATOM 573 CD ARG A 42 1.033 13.038 12.997 1.00 0.00 C ATOM 574 NE ARG A 42 -0.061 13.073 13.993 1.00 0.00 N ATOM 575 CZ ARG A 42 -0.597 14.200 14.481 1.00 0.00 C ATOM 576 NH1 ARG A 42 -0.144 15.391 14.067 1.00 0.00 N ATOM 577 NH2 ARG A 42 -1.586 14.136 15.383 1.00 0.00 N ATOM 0 H ARG A 42 -0.083 11.163 8.997 1.00 0.00 H new ATOM 0 HA ARG A 42 0.456 9.547 11.185 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -0.320 12.307 10.660 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.138 11.713 12.091 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.107 10.882 12.954 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.871 11.648 11.575 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.994 13.170 13.495 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.922 13.863 12.294 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.430 12.184 14.329 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.609 15.440 13.380 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.552 16.249 14.438 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.931 13.229 15.698 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.994 14.994 15.754 1.00 0.00 H new ATOM 591 N GLY A 43 -1.675 8.806 12.321 1.00 0.00 N ATOM 592 CA GLY A 43 -2.869 8.138 12.811 1.00 0.00 C ATOM 593 C GLY A 43 -2.572 6.683 13.177 1.00 0.00 C ATOM 594 O GLY A 43 -1.432 6.233 13.074 1.00 0.00 O ATOM 0 H GLY A 43 -0.847 8.681 12.903 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.253 8.665 13.684 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.648 8.173 12.050 1.00 0.00 H new ATOM 598 N PRO A 44 -3.646 5.968 13.608 1.00 0.00 N ATOM 599 CA PRO A 44 -3.512 4.572 13.990 1.00 0.00 C ATOM 600 C PRO A 44 -3.368 3.678 12.757 1.00 0.00 C ATOM 601 O PRO A 44 -3.128 2.478 12.881 1.00 0.00 O ATOM 602 CB PRO A 44 -4.758 4.266 14.804 1.00 0.00 C ATOM 603 CG PRO A 44 -5.760 5.355 14.458 1.00 0.00 C ATOM 604 CD PRO A 44 -5.011 6.467 13.743 1.00 0.00 C ATOM 0 HA PRO A 44 -2.613 4.380 14.576 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.153 3.280 14.558 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -4.536 4.264 15.871 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.551 4.958 13.822 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -6.237 5.735 15.361 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.453 6.680 12.770 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.039 7.394 14.315 1.00 0.00 H new ATOM 612 N LEU A 45 -3.520 4.297 11.595 1.00 0.00 N ATOM 613 CA LEU A 45 -3.410 3.572 10.341 1.00 0.00 C ATOM 614 C LEU A 45 -2.061 2.852 10.290 1.00 0.00 C ATOM 615 O LEU A 45 -2.010 1.625 10.224 1.00 0.00 O ATOM 616 CB LEU A 45 -3.652 4.510 9.157 1.00 0.00 C ATOM 617 CG LEU A 45 -5.028 5.177 9.099 1.00 0.00 C ATOM 618 CD1 LEU A 45 -6.062 4.369 9.885 1.00 0.00 C ATOM 619 CD2 LEU A 45 -4.953 6.629 9.576 1.00 0.00 C ATOM 0 H LEU A 45 -3.718 5.293 11.496 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.183 2.806 10.274 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.892 5.291 9.177 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.505 3.946 8.236 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.356 5.195 8.060 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.031 4.865 9.828 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.141 3.368 9.461 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.752 4.298 10.928 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.944 7.080 9.525 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.595 6.656 10.605 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.267 7.187 8.938 1.00 0.00 H new ATOM 631 N THR A 46 -1.001 3.646 10.322 1.00 0.00 N ATOM 632 CA THR A 46 0.345 3.100 10.280 1.00 0.00 C ATOM 633 C THR A 46 1.061 3.344 11.610 1.00 0.00 C ATOM 634 O THR A 46 2.268 3.133 11.717 1.00 0.00 O ATOM 635 CB THR A 46 1.067 3.714 9.079 1.00 0.00 C ATOM 636 OG1 THR A 46 1.059 5.113 9.347 1.00 0.00 O ATOM 637 CG2 THR A 46 0.266 3.579 7.782 1.00 0.00 C ATOM 0 H THR A 46 -1.047 4.664 10.377 1.00 0.00 H new ATOM 0 HA THR A 46 0.329 2.018 10.149 1.00 0.00 H new ATOM 0 HB THR A 46 2.039 3.236 8.957 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.509 5.588 8.618 1.00 0.00 H new ATOM 0 HG21 THR A 46 0.823 4.031 6.961 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.096 2.524 7.568 1.00 0.00 H new ATOM 0 HG23 THR A 46 -0.693 4.086 7.892 1.00 0.00 H new ATOM 645 N GLN A 47 0.287 3.786 12.590 1.00 0.00 N ATOM 646 CA GLN A 47 0.832 4.061 13.908 1.00 0.00 C ATOM 647 C GLN A 47 1.900 5.153 13.823 1.00 0.00 C ATOM 648 O GLN A 47 2.769 5.245 14.689 1.00 0.00 O ATOM 649 CB GLN A 47 1.398 2.789 14.544 1.00 0.00 C ATOM 650 CG GLN A 47 0.274 1.881 15.048 1.00 0.00 C ATOM 651 CD GLN A 47 0.171 1.932 16.574 1.00 0.00 C ATOM 652 OE1 GLN A 47 1.126 2.220 17.277 1.00 0.00 O ATOM 653 NE2 GLN A 47 -1.037 1.637 17.044 1.00 0.00 N ATOM 0 H GLN A 47 -0.714 3.961 12.497 1.00 0.00 H new ATOM 0 HA GLN A 47 0.024 4.419 14.546 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.004 2.252 13.814 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.055 3.054 15.372 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.673 2.189 14.605 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.458 0.856 14.726 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -1.792 1.405 16.399 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -1.208 1.643 18.049 1.00 0.00 H new ATOM 662 N VAL A 48 1.800 5.954 12.773 1.00 0.00 N ATOM 663 CA VAL A 48 2.746 7.037 12.564 1.00 0.00 C ATOM 664 C VAL A 48 2.304 8.258 13.373 1.00 0.00 C ATOM 665 O VAL A 48 1.161 8.699 13.263 1.00 0.00 O ATOM 666 CB VAL A 48 2.885 7.329 11.068 1.00 0.00 C ATOM 667 CG1 VAL A 48 3.571 8.676 10.834 1.00 0.00 C ATOM 668 CG2 VAL A 48 3.635 6.201 10.357 1.00 0.00 C ATOM 0 H VAL A 48 1.078 5.875 12.057 1.00 0.00 H new ATOM 0 HA VAL A 48 3.736 6.753 12.920 1.00 0.00 H new ATOM 0 HB VAL A 48 1.883 7.385 10.643 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.657 8.859 9.763 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.980 9.470 11.291 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.565 8.660 11.281 1.00 0.00 H new ATOM 0 HG21 VAL A 48 3.720 6.433 9.295 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.631 6.099 10.787 1.00 0.00 H new ATOM 0 HG23 VAL A 48 3.089 5.266 10.481 1.00 0.00 H new ATOM 678 N THR A 49 3.233 8.769 14.167 1.00 0.00 N ATOM 679 CA THR A 49 2.953 9.931 14.994 1.00 0.00 C ATOM 680 C THR A 49 3.950 11.052 14.694 1.00 0.00 C ATOM 681 O THR A 49 3.975 12.068 15.387 1.00 0.00 O ATOM 682 CB THR A 49 2.965 9.483 16.457 1.00 0.00 C ATOM 683 OG1 THR A 49 4.288 8.994 16.660 1.00 0.00 O ATOM 684 CG2 THR A 49 2.075 8.264 16.704 1.00 0.00 C ATOM 0 H THR A 49 4.180 8.400 14.255 1.00 0.00 H new ATOM 0 HA THR A 49 1.969 10.346 14.773 1.00 0.00 H new ATOM 0 HB THR A 49 2.636 10.306 17.091 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.384 8.684 17.585 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.120 7.988 17.758 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.046 8.504 16.435 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.423 7.430 16.095 1.00 0.00 H new ATOM 692 N ASP A 50 4.748 10.829 13.659 1.00 0.00 N ATOM 693 CA ASP A 50 5.744 11.808 13.259 1.00 0.00 C ATOM 694 C ASP A 50 5.042 13.028 12.658 1.00 0.00 C ATOM 695 O ASP A 50 4.145 12.886 11.829 1.00 0.00 O ATOM 696 CB ASP A 50 6.684 11.234 12.197 1.00 0.00 C ATOM 697 CG ASP A 50 7.992 12.005 12.006 1.00 0.00 C ATOM 698 OD1 ASP A 50 7.916 13.253 11.982 1.00 0.00 O ATOM 699 OD2 ASP A 50 9.037 11.330 11.887 1.00 0.00 O ATOM 0 H ASP A 50 4.725 9.985 13.086 1.00 0.00 H new ATOM 0 HA ASP A 50 6.321 12.082 14.142 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.922 10.204 12.463 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.156 11.203 11.244 1.00 0.00 H new ATOM 704 N ARG A 51 5.476 14.198 13.102 1.00 0.00 N ATOM 705 CA ARG A 51 4.900 15.442 12.619 1.00 0.00 C ATOM 706 C ARG A 51 5.204 15.625 11.130 1.00 0.00 C ATOM 707 O ARG A 51 4.404 16.203 10.396 1.00 0.00 O ATOM 708 CB ARG A 51 5.449 16.641 13.395 1.00 0.00 C ATOM 709 CG ARG A 51 5.037 16.576 14.867 1.00 0.00 C ATOM 710 CD ARG A 51 3.957 17.614 15.181 1.00 0.00 C ATOM 711 NE ARG A 51 4.511 18.670 16.058 1.00 0.00 N ATOM 712 CZ ARG A 51 4.887 18.471 17.328 1.00 0.00 C ATOM 713 NH1 ARG A 51 4.771 17.254 17.878 1.00 0.00 N ATOM 714 NH2 ARG A 51 5.378 19.488 18.049 1.00 0.00 N ATOM 0 H ARG A 51 6.220 14.311 13.791 1.00 0.00 H new ATOM 0 HA ARG A 51 3.822 15.389 12.770 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.536 16.662 13.318 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.081 17.566 12.951 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.666 15.578 15.101 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.907 16.749 15.500 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.585 18.055 14.256 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.109 17.133 15.668 1.00 0.00 H new ATOM 0 HE ARG A 51 4.613 19.608 15.671 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.397 16.480 17.329 1.00 0.00 H new ATOM 0 HH12 ARG A 51 5.057 17.102 18.845 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.466 20.414 17.631 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.664 19.336 19.016 1.00 0.00 H new ATOM 728 N LYS A 52 6.362 15.121 10.729 1.00 0.00 N ATOM 729 CA LYS A 52 6.781 15.222 9.341 1.00 0.00 C ATOM 730 C LYS A 52 5.764 14.502 8.453 1.00 0.00 C ATOM 731 O LYS A 52 5.751 14.693 7.238 1.00 0.00 O ATOM 732 CB LYS A 52 8.213 14.710 9.176 1.00 0.00 C ATOM 733 CG LYS A 52 9.218 15.684 9.794 1.00 0.00 C ATOM 734 CD LYS A 52 9.827 16.595 8.726 1.00 0.00 C ATOM 735 CE LYS A 52 11.252 17.004 9.103 1.00 0.00 C ATOM 736 NZ LYS A 52 11.422 18.469 8.972 1.00 0.00 N ATOM 0 H LYS A 52 7.023 14.642 11.341 1.00 0.00 H new ATOM 0 HA LYS A 52 6.801 16.264 9.023 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.310 13.733 9.649 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.435 14.575 8.117 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.723 16.289 10.554 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.009 15.126 10.295 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.835 16.080 7.765 1.00 0.00 H new ATOM 0 HD3 LYS A 52 9.209 17.485 8.606 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.466 16.697 10.127 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.967 16.490 8.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 12.395 18.730 9.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.238 18.753 7.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.753 18.954 9.604 1.00 0.00 H new ATOM 750 N CYS A 53 4.937 13.689 9.093 1.00 0.00 N ATOM 751 CA CYS A 53 3.919 12.940 8.376 1.00 0.00 C ATOM 752 C CYS A 53 2.613 13.736 8.425 1.00 0.00 C ATOM 753 O CYS A 53 2.258 14.289 9.465 1.00 0.00 O ATOM 754 CB CYS A 53 3.750 11.529 8.944 1.00 0.00 C ATOM 755 SG CYS A 53 4.138 10.287 7.658 1.00 0.00 S ATOM 0 H CYS A 53 4.951 13.532 10.101 1.00 0.00 H new ATOM 0 HA CYS A 53 4.224 12.808 7.338 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.407 11.393 9.803 1.00 0.00 H new ATOM 0 HB3 CYS A 53 2.729 11.391 9.299 1.00 0.00 H new ATOM 0 HG CYS A 53 3.675 10.690 6.512 1.00 0.00 H new ATOM 761 N SER A 54 1.934 13.768 7.288 1.00 0.00 N ATOM 762 CA SER A 54 0.675 14.486 7.189 1.00 0.00 C ATOM 763 C SER A 54 -0.472 13.502 6.952 1.00 0.00 C ATOM 764 O SER A 54 -0.317 12.527 6.217 1.00 0.00 O ATOM 765 CB SER A 54 0.722 15.526 6.068 1.00 0.00 C ATOM 766 OG SER A 54 1.018 16.830 6.561 1.00 0.00 O ATOM 0 H SER A 54 2.232 13.308 6.428 1.00 0.00 H new ATOM 0 HA SER A 54 0.506 15.011 8.129 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.475 15.236 5.336 1.00 0.00 H new ATOM 0 HB3 SER A 54 -0.237 15.544 5.549 1.00 0.00 H new ATOM 0 HG SER A 54 1.041 17.465 5.815 1.00 0.00 H new ATOM 772 N ARG A 55 -1.598 13.790 7.587 1.00 0.00 N ATOM 773 CA ARG A 55 -2.771 12.943 7.455 1.00 0.00 C ATOM 774 C ARG A 55 -2.906 12.444 6.014 1.00 0.00 C ATOM 775 O ARG A 55 -3.147 11.261 5.783 1.00 0.00 O ATOM 776 CB ARG A 55 -4.043 13.697 7.848 1.00 0.00 C ATOM 777 CG ARG A 55 -4.752 13.006 9.015 1.00 0.00 C ATOM 778 CD ARG A 55 -6.265 13.220 8.941 1.00 0.00 C ATOM 779 NE ARG A 55 -6.970 11.957 9.255 1.00 0.00 N ATOM 780 CZ ARG A 55 -8.303 11.818 9.242 1.00 0.00 C ATOM 781 NH1 ARG A 55 -9.083 12.862 8.931 1.00 0.00 N ATOM 782 NH2 ARG A 55 -8.856 10.634 9.541 1.00 0.00 N ATOM 0 H ARG A 55 -1.723 14.599 8.195 1.00 0.00 H new ATOM 0 HA ARG A 55 -2.644 12.094 8.127 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -3.792 14.721 8.125 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -4.715 13.754 6.992 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -4.531 11.939 8.999 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -4.372 13.396 9.959 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -6.565 13.998 9.643 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -6.544 13.564 7.945 1.00 0.00 H new ATOM 0 HE ARG A 55 -6.406 11.142 9.496 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -8.662 13.763 8.704 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.097 12.756 8.921 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -8.262 9.839 9.778 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.870 10.528 9.531 1.00 0.00 H new ATOM 796 N ASN A 56 -2.744 13.373 5.083 1.00 0.00 N ATOM 797 CA ASN A 56 -2.844 13.043 3.672 1.00 0.00 C ATOM 798 C ASN A 56 -1.472 13.207 3.015 1.00 0.00 C ATOM 799 O ASN A 56 -1.320 13.980 2.071 1.00 0.00 O ATOM 800 CB ASN A 56 -3.824 13.975 2.957 1.00 0.00 C ATOM 801 CG ASN A 56 -3.689 15.410 3.469 1.00 0.00 C ATOM 802 OD1 ASN A 56 -2.619 15.868 3.836 1.00 0.00 O ATOM 803 ND2 ASN A 56 -4.830 16.093 3.472 1.00 0.00 N ATOM 0 H ASN A 56 -2.544 14.354 5.279 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.198 12.015 3.591 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.638 13.949 1.883 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.844 13.624 3.112 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -4.844 17.060 3.795 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -5.691 15.649 3.151 1.00 0.00 H new ATOM 810 N GLN A 57 -0.508 12.465 3.541 1.00 0.00 N ATOM 811 CA GLN A 57 0.847 12.519 3.018 1.00 0.00 C ATOM 812 C GLN A 57 0.879 12.010 1.575 1.00 0.00 C ATOM 813 O GLN A 57 1.382 12.691 0.683 1.00 0.00 O ATOM 814 CB GLN A 57 1.808 11.722 3.902 1.00 0.00 C ATOM 815 CG GLN A 57 3.149 11.505 3.198 1.00 0.00 C ATOM 816 CD GLN A 57 3.854 12.838 2.940 1.00 0.00 C ATOM 817 OE1 GLN A 57 3.517 13.867 3.501 1.00 0.00 O ATOM 818 NE2 GLN A 57 4.850 12.762 2.061 1.00 0.00 N ATOM 0 H GLN A 57 -0.638 11.824 4.323 1.00 0.00 H new ATOM 0 HA GLN A 57 1.177 13.558 3.024 1.00 0.00 H new ATOM 0 HB2 GLN A 57 1.968 12.252 4.841 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.364 10.758 4.151 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.785 10.865 3.809 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.988 10.986 2.253 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.080 11.868 1.627 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.383 13.598 1.821 1.00 0.00 H new ATOM 827 N VAL A 58 0.336 10.815 1.391 1.00 0.00 N ATOM 828 CA VAL A 58 0.296 10.207 0.072 1.00 0.00 C ATOM 829 C VAL A 58 -1.045 9.494 -0.116 1.00 0.00 C ATOM 830 O VAL A 58 -1.720 9.167 0.859 1.00 0.00 O ATOM 831 CB VAL A 58 1.498 9.278 -0.113 1.00 0.00 C ATOM 832 CG1 VAL A 58 2.795 10.079 -0.244 1.00 0.00 C ATOM 833 CG2 VAL A 58 1.591 8.268 1.032 1.00 0.00 C ATOM 0 H VAL A 58 -0.080 10.252 2.133 1.00 0.00 H new ATOM 0 HA VAL A 58 0.370 10.970 -0.703 1.00 0.00 H new ATOM 0 HB VAL A 58 1.353 8.722 -1.039 1.00 0.00 H new ATOM 0 HG11 VAL A 58 3.634 9.395 -0.374 1.00 0.00 H new ATOM 0 HG12 VAL A 58 2.729 10.740 -1.108 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.948 10.673 0.657 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.453 7.620 0.876 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.702 8.799 1.977 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.684 7.664 1.059 1.00 0.00 H new ATOM 843 N GLU A 59 -1.390 9.274 -1.376 1.00 0.00 N ATOM 844 CA GLU A 59 -2.638 8.606 -1.704 1.00 0.00 C ATOM 845 C GLU A 59 -2.359 7.231 -2.316 1.00 0.00 C ATOM 846 O GLU A 59 -1.738 7.133 -3.372 1.00 0.00 O ATOM 847 CB GLU A 59 -3.488 9.462 -2.645 1.00 0.00 C ATOM 848 CG GLU A 59 -4.966 9.081 -2.548 1.00 0.00 C ATOM 849 CD GLU A 59 -5.835 10.044 -3.359 1.00 0.00 C ATOM 850 OE1 GLU A 59 -5.624 10.101 -4.590 1.00 0.00 O ATOM 851 OE2 GLU A 59 -6.692 10.703 -2.730 1.00 0.00 O ATOM 0 H GLU A 59 -0.827 9.546 -2.182 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.204 8.465 -0.783 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.363 10.516 -2.396 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.142 9.334 -3.671 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.108 8.063 -2.912 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.280 9.093 -1.504 1.00 0.00 H new ATOM 858 N LEU A 60 -2.833 6.204 -1.625 1.00 0.00 N ATOM 859 CA LEU A 60 -2.643 4.840 -2.087 1.00 0.00 C ATOM 860 C LEU A 60 -3.946 4.328 -2.704 1.00 0.00 C ATOM 861 O LEU A 60 -5.017 4.485 -2.119 1.00 0.00 O ATOM 862 CB LEU A 60 -2.111 3.960 -0.954 1.00 0.00 C ATOM 863 CG LEU A 60 -0.600 4.010 -0.719 1.00 0.00 C ATOM 864 CD1 LEU A 60 -0.257 4.946 0.442 1.00 0.00 C ATOM 865 CD2 LEU A 60 -0.031 2.605 -0.510 1.00 0.00 C ATOM 0 H LEU A 60 -3.348 6.290 -0.749 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.885 4.805 -2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.612 4.249 -0.030 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.393 2.927 -1.160 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.128 4.419 -1.613 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.823 4.964 0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.609 5.952 0.214 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.741 4.590 1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.045 2.669 -0.345 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.505 2.146 0.358 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.227 1.998 -1.394 1.00 0.00 H new ATOM 877 N ILE A 61 -3.813 3.727 -3.877 1.00 0.00 N ATOM 878 CA ILE A 61 -4.967 3.191 -4.579 1.00 0.00 C ATOM 879 C ILE A 61 -4.678 1.749 -4.999 1.00 0.00 C ATOM 880 O ILE A 61 -3.721 1.490 -5.726 1.00 0.00 O ATOM 881 CB ILE A 61 -5.357 4.104 -5.743 1.00 0.00 C ATOM 882 CG1 ILE A 61 -5.864 5.455 -5.234 1.00 0.00 C ATOM 883 CG2 ILE A 61 -6.373 3.420 -6.660 1.00 0.00 C ATOM 884 CD1 ILE A 61 -5.385 6.595 -6.135 1.00 0.00 C ATOM 0 H ILE A 61 -2.923 3.599 -4.359 1.00 0.00 H new ATOM 0 HA ILE A 61 -5.835 3.164 -3.920 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.465 4.298 -6.338 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.953 5.448 -5.198 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.512 5.619 -4.215 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.633 4.091 -7.479 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.940 2.505 -7.064 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -7.270 3.177 -6.091 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.759 7.544 -5.751 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.295 6.614 -6.150 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.759 6.440 -7.147 1.00 0.00 H new ATOM 896 N ALA A 62 -5.525 0.847 -4.523 1.00 0.00 N ATOM 897 CA ALA A 62 -5.372 -0.563 -4.840 1.00 0.00 C ATOM 898 C ALA A 62 -5.822 -0.808 -6.281 1.00 0.00 C ATOM 899 O ALA A 62 -6.861 -0.304 -6.706 1.00 0.00 O ATOM 900 CB ALA A 62 -6.162 -1.401 -3.832 1.00 0.00 C ATOM 0 H ALA A 62 -6.319 1.065 -3.921 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.327 -0.863 -4.765 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.048 -2.459 -4.069 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -5.785 -1.212 -2.827 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.217 -1.130 -3.881 1.00 0.00 H new ATOM 906 N ASP A 63 -5.018 -1.583 -6.995 1.00 0.00 N ATOM 907 CA ASP A 63 -5.320 -1.901 -8.380 1.00 0.00 C ATOM 908 C ASP A 63 -5.174 -3.409 -8.596 1.00 0.00 C ATOM 909 O ASP A 63 -4.123 -3.878 -9.029 1.00 0.00 O ATOM 910 CB ASP A 63 -4.355 -1.191 -9.331 1.00 0.00 C ATOM 911 CG ASP A 63 -4.939 0.022 -10.057 1.00 0.00 C ATOM 912 OD1 ASP A 63 -5.857 0.643 -9.478 1.00 0.00 O ATOM 913 OD2 ASP A 63 -4.453 0.303 -11.175 1.00 0.00 O ATOM 0 H ASP A 63 -4.158 -2.000 -6.640 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.338 -1.572 -8.588 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.481 -0.870 -8.765 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.008 -1.908 -10.075 1.00 0.00 H new ATOM 918 N PRO A 64 -6.272 -4.145 -8.275 1.00 0.00 N ATOM 919 CA PRO A 64 -6.275 -5.590 -8.430 1.00 0.00 C ATOM 920 C PRO A 64 -6.399 -5.983 -9.903 1.00 0.00 C ATOM 921 O PRO A 64 -6.433 -7.168 -10.232 1.00 0.00 O ATOM 922 CB PRO A 64 -7.444 -6.072 -7.586 1.00 0.00 C ATOM 923 CG PRO A 64 -8.330 -4.857 -7.366 1.00 0.00 C ATOM 924 CD PRO A 64 -7.534 -3.623 -7.759 1.00 0.00 C ATOM 0 HA PRO A 64 -5.344 -6.051 -8.099 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.990 -6.867 -8.094 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -7.098 -6.480 -6.636 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.238 -4.933 -7.965 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.641 -4.795 -6.323 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.059 -3.037 -8.514 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -7.371 -2.968 -6.903 1.00 0.00 H new ATOM 932 N GLU A 65 -6.462 -4.967 -10.751 1.00 0.00 N ATOM 933 CA GLU A 65 -6.581 -5.192 -12.181 1.00 0.00 C ATOM 934 C GLU A 65 -5.242 -5.655 -12.759 1.00 0.00 C ATOM 935 O GLU A 65 -5.208 -6.403 -13.735 1.00 0.00 O ATOM 936 CB GLU A 65 -7.080 -3.934 -12.895 1.00 0.00 C ATOM 937 CG GLU A 65 -8.594 -3.777 -12.735 1.00 0.00 C ATOM 938 CD GLU A 65 -9.073 -2.449 -13.326 1.00 0.00 C ATOM 939 OE1 GLU A 65 -8.642 -1.404 -12.794 1.00 0.00 O ATOM 940 OE2 GLU A 65 -9.859 -2.511 -14.296 1.00 0.00 O ATOM 0 H GLU A 65 -6.433 -3.986 -10.475 1.00 0.00 H new ATOM 0 HA GLU A 65 -7.317 -5.979 -12.345 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.575 -3.057 -12.490 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.826 -3.987 -13.954 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -9.103 -4.604 -13.230 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.859 -3.826 -11.679 1.00 0.00 H new ATOM 947 N SER A 66 -4.171 -5.191 -12.131 1.00 0.00 N ATOM 948 CA SER A 66 -2.833 -5.548 -12.571 1.00 0.00 C ATOM 949 C SER A 66 -1.913 -5.718 -11.360 1.00 0.00 C ATOM 950 O SER A 66 -0.690 -5.713 -11.500 1.00 0.00 O ATOM 951 CB SER A 66 -2.267 -4.494 -13.524 1.00 0.00 C ATOM 952 OG SER A 66 -2.799 -4.624 -14.840 1.00 0.00 O ATOM 0 H SER A 66 -4.203 -4.571 -11.321 1.00 0.00 H new ATOM 0 HA SER A 66 -2.891 -6.493 -13.111 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.491 -3.499 -13.139 1.00 0.00 H new ATOM 0 HB3 SER A 66 -1.181 -4.584 -13.561 1.00 0.00 H new ATOM 0 HG SER A 66 -3.566 -5.234 -14.824 1.00 0.00 H new ATOM 958 N ARG A 67 -2.535 -5.864 -10.200 1.00 0.00 N ATOM 959 CA ARG A 67 -1.787 -6.035 -8.966 1.00 0.00 C ATOM 960 C ARG A 67 -0.798 -4.883 -8.781 1.00 0.00 C ATOM 961 O ARG A 67 0.377 -5.108 -8.493 1.00 0.00 O ATOM 962 CB ARG A 67 -1.022 -7.360 -8.964 1.00 0.00 C ATOM 963 CG ARG A 67 -1.901 -8.500 -8.447 1.00 0.00 C ATOM 964 CD ARG A 67 -1.684 -9.775 -9.265 1.00 0.00 C ATOM 965 NE ARG A 67 -1.737 -10.960 -8.381 1.00 0.00 N ATOM 966 CZ ARG A 67 -1.279 -12.172 -8.721 1.00 0.00 C ATOM 967 NH1 ARG A 67 -0.731 -12.367 -9.928 1.00 0.00 N ATOM 968 NH2 ARG A 67 -1.368 -13.190 -7.854 1.00 0.00 N ATOM 0 H ARG A 67 -3.549 -5.867 -10.088 1.00 0.00 H new ATOM 0 HA ARG A 67 -2.502 -6.040 -8.143 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.681 -7.588 -9.974 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.133 -7.270 -8.340 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -1.673 -8.693 -7.399 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.950 -8.206 -8.496 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.447 -9.854 -10.039 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.720 -9.732 -9.771 1.00 0.00 H new ATOM 0 HE ARG A 67 -2.148 -10.847 -7.454 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -0.662 -11.592 -10.588 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -0.382 -13.290 -10.187 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.785 -13.042 -6.935 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -1.019 -14.113 -8.113 1.00 0.00 H new ATOM 982 N THR A 68 -1.309 -3.673 -8.953 1.00 0.00 N ATOM 983 CA THR A 68 -0.485 -2.485 -8.809 1.00 0.00 C ATOM 984 C THR A 68 -1.103 -1.529 -7.786 1.00 0.00 C ATOM 985 O THR A 68 -2.179 -1.794 -7.254 1.00 0.00 O ATOM 986 CB THR A 68 -0.309 -1.861 -10.195 1.00 0.00 C ATOM 987 OG1 THR A 68 -1.588 -2.004 -10.806 1.00 0.00 O ATOM 988 CG2 THR A 68 0.625 -2.678 -11.090 1.00 0.00 C ATOM 0 H THR A 68 -2.284 -3.490 -9.191 1.00 0.00 H new ATOM 0 HA THR A 68 0.503 -2.733 -8.421 1.00 0.00 H new ATOM 0 HB THR A 68 0.082 -0.849 -10.090 1.00 0.00 H new ATOM 0 HG1 THR A 68 -1.564 -1.623 -11.709 1.00 0.00 H new ATOM 0 HG21 THR A 68 0.715 -2.192 -12.061 1.00 0.00 H new ATOM 0 HG22 THR A 68 1.608 -2.745 -10.625 1.00 0.00 H new ATOM 0 HG23 THR A 68 0.217 -3.680 -11.222 1.00 0.00 H new ATOM 996 N VAL A 69 -0.394 -0.436 -7.543 1.00 0.00 N ATOM 997 CA VAL A 69 -0.859 0.561 -6.593 1.00 0.00 C ATOM 998 C VAL A 69 -0.268 1.924 -6.960 1.00 0.00 C ATOM 999 O VAL A 69 0.934 2.040 -7.194 1.00 0.00 O ATOM 1000 CB VAL A 69 -0.517 0.125 -5.167 1.00 0.00 C ATOM 1001 CG1 VAL A 69 -0.975 1.172 -4.149 1.00 0.00 C ATOM 1002 CG2 VAL A 69 -1.120 -1.245 -4.853 1.00 0.00 C ATOM 0 H VAL A 69 0.498 -0.219 -7.987 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.944 0.655 -6.638 1.00 0.00 H new ATOM 0 HB VAL A 69 0.567 0.038 -5.094 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.720 0.838 -3.143 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.478 2.120 -4.353 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.054 1.305 -4.224 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.862 -1.531 -3.833 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.204 -1.197 -4.953 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.724 -1.985 -5.549 1.00 0.00 H new ATOM 1012 N ALA A 70 -1.140 2.920 -7.000 1.00 0.00 N ATOM 1013 CA ALA A 70 -0.719 4.270 -7.335 1.00 0.00 C ATOM 1014 C ALA A 70 -0.416 5.039 -6.048 1.00 0.00 C ATOM 1015 O ALA A 70 -1.079 4.841 -5.031 1.00 0.00 O ATOM 1016 CB ALA A 70 -1.801 4.948 -8.178 1.00 0.00 C ATOM 0 H ALA A 70 -2.136 2.820 -6.806 1.00 0.00 H new ATOM 0 HA ALA A 70 0.194 4.251 -7.930 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -1.485 5.961 -8.429 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.958 4.379 -9.094 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.732 4.988 -7.612 1.00 0.00 H new ATOM 1022 N VAL A 71 0.587 5.901 -6.133 1.00 0.00 N ATOM 1023 CA VAL A 71 0.986 6.701 -4.988 1.00 0.00 C ATOM 1024 C VAL A 71 1.054 8.173 -5.398 1.00 0.00 C ATOM 1025 O VAL A 71 1.861 8.549 -6.246 1.00 0.00 O ATOM 1026 CB VAL A 71 2.307 6.177 -4.419 1.00 0.00 C ATOM 1027 CG1 VAL A 71 2.840 7.107 -3.327 1.00 0.00 C ATOM 1028 CG2 VAL A 71 2.150 4.749 -3.894 1.00 0.00 C ATOM 0 H VAL A 71 1.135 6.063 -6.978 1.00 0.00 H new ATOM 0 HA VAL A 71 0.248 6.620 -4.190 1.00 0.00 H new ATOM 0 HB VAL A 71 3.036 6.158 -5.229 1.00 0.00 H new ATOM 0 HG11 VAL A 71 3.779 6.712 -2.939 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.009 8.100 -3.745 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.113 7.173 -2.518 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.103 4.401 -3.495 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.399 4.732 -3.105 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.836 4.095 -4.707 1.00 0.00 H new ATOM 1038 N LYS A 72 0.194 8.967 -4.776 1.00 0.00 N ATOM 1039 CA LYS A 72 0.146 10.390 -5.066 1.00 0.00 C ATOM 1040 C LYS A 72 0.378 11.178 -3.775 1.00 0.00 C ATOM 1041 O LYS A 72 -0.376 11.037 -2.814 1.00 0.00 O ATOM 1042 CB LYS A 72 -1.160 10.748 -5.778 1.00 0.00 C ATOM 1043 CG LYS A 72 -1.345 12.265 -5.854 1.00 0.00 C ATOM 1044 CD LYS A 72 -2.124 12.660 -7.110 1.00 0.00 C ATOM 1045 CE LYS A 72 -3.473 13.283 -6.745 1.00 0.00 C ATOM 1046 NZ LYS A 72 -3.930 14.196 -7.817 1.00 0.00 N ATOM 0 H LYS A 72 -0.474 8.652 -4.073 1.00 0.00 H new ATOM 0 HA LYS A 72 0.944 10.665 -5.756 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.157 10.328 -6.784 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.001 10.302 -5.248 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.875 12.615 -4.968 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.371 12.754 -5.857 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.539 13.368 -7.697 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.282 11.781 -7.735 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.212 12.498 -6.589 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -3.385 13.830 -5.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -4.847 14.610 -7.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -3.232 14.956 -7.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -4.033 13.665 -8.705 1.00 0.00 H new ATOM 1060 N GLN A 73 1.426 11.989 -3.794 1.00 0.00 N ATOM 1061 CA GLN A 73 1.766 12.799 -2.637 1.00 0.00 C ATOM 1062 C GLN A 73 0.880 14.044 -2.580 1.00 0.00 C ATOM 1063 O GLN A 73 0.902 14.868 -3.494 1.00 0.00 O ATOM 1064 CB GLN A 73 3.248 13.180 -2.652 1.00 0.00 C ATOM 1065 CG GLN A 73 3.522 14.352 -1.706 1.00 0.00 C ATOM 1066 CD GLN A 73 5.026 14.573 -1.528 1.00 0.00 C ATOM 1067 OE1 GLN A 73 5.815 13.643 -1.486 1.00 0.00 O ATOM 1068 NE2 GLN A 73 5.376 15.851 -1.427 1.00 0.00 N ATOM 0 H GLN A 73 2.051 12.102 -4.592 1.00 0.00 H new ATOM 0 HA GLN A 73 1.585 12.209 -1.739 1.00 0.00 H new ATOM 0 HB2 GLN A 73 3.851 12.321 -2.357 1.00 0.00 H new ATOM 0 HB3 GLN A 73 3.548 13.448 -3.665 1.00 0.00 H new ATOM 0 HG2 GLN A 73 3.062 15.258 -2.101 1.00 0.00 H new ATOM 0 HG3 GLN A 73 3.062 14.157 -0.737 1.00 0.00 H new ATOM 0 HE21 GLN A 73 4.664 16.580 -1.470 1.00 0.00 H new ATOM 0 HE22 GLN A 73 6.357 16.103 -1.306 1.00 0.00 H new ATOM 1077 N LEU A 74 0.120 14.143 -1.499 1.00 0.00 N ATOM 1078 CA LEU A 74 -0.772 15.274 -1.312 1.00 0.00 C ATOM 1079 C LEU A 74 -0.316 16.082 -0.095 1.00 0.00 C ATOM 1080 O LEU A 74 -0.991 17.023 0.318 1.00 0.00 O ATOM 1081 CB LEU A 74 -2.225 14.802 -1.227 1.00 0.00 C ATOM 1082 CG LEU A 74 -2.564 13.530 -2.008 1.00 0.00 C ATOM 1083 CD1 LEU A 74 -3.331 12.538 -1.133 1.00 0.00 C ATOM 1084 CD2 LEU A 74 -3.320 13.863 -3.296 1.00 0.00 C ATOM 0 H LEU A 74 0.104 13.458 -0.744 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.727 15.941 -2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.472 14.637 -0.178 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -2.869 15.606 -1.584 1.00 0.00 H new ATOM 0 HG LEU A 74 -1.631 13.048 -2.298 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.560 11.643 -1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.722 12.267 -0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -4.259 12.996 -0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.549 12.942 -3.832 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.248 14.380 -3.050 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.703 14.505 -3.925 1.00 0.00 H new ATOM 1096 N GLY A 75 0.827 15.684 0.445 1.00 0.00 N ATOM 1097 CA GLY A 75 1.381 16.360 1.606 1.00 0.00 C ATOM 1098 C GLY A 75 2.442 17.381 1.191 1.00 0.00 C ATOM 1099 O GLY A 75 2.324 18.013 0.143 1.00 0.00 O ATOM 0 H GLY A 75 1.384 14.902 0.100 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.583 16.861 2.154 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.821 15.627 2.282 1.00 0.00 H new ATOM 1103 N VAL A 76 3.454 17.511 2.037 1.00 0.00 N ATOM 1104 CA VAL A 76 4.535 18.445 1.772 1.00 0.00 C ATOM 1105 C VAL A 76 5.854 17.676 1.669 1.00 0.00 C ATOM 1106 O VAL A 76 6.606 17.852 0.713 1.00 0.00 O ATOM 1107 CB VAL A 76 4.560 19.535 2.845 1.00 0.00 C ATOM 1108 CG1 VAL A 76 4.171 18.968 4.212 1.00 0.00 C ATOM 1109 CG2 VAL A 76 5.929 20.216 2.904 1.00 0.00 C ATOM 0 H VAL A 76 3.548 16.985 2.906 1.00 0.00 H new ATOM 0 HA VAL A 76 4.378 18.950 0.819 1.00 0.00 H new ATOM 0 HB VAL A 76 3.822 20.289 2.572 1.00 0.00 H new ATOM 0 HG11 VAL A 76 4.197 19.764 4.957 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.165 18.552 4.160 1.00 0.00 H new ATOM 0 HG13 VAL A 76 4.874 18.184 4.494 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.919 20.987 3.675 1.00 0.00 H new ATOM 0 HG22 VAL A 76 6.694 19.476 3.140 1.00 0.00 H new ATOM 0 HG23 VAL A 76 6.151 20.671 1.939 1.00 0.00 H new ATOM 1119 N ASN A 77 6.093 16.841 2.669 1.00 0.00 N ATOM 1120 CA ASN A 77 7.308 16.044 2.704 1.00 0.00 C ATOM 1121 C ASN A 77 7.344 15.123 1.483 1.00 0.00 C ATOM 1122 O ASN A 77 6.329 14.531 1.118 1.00 0.00 O ATOM 1123 CB ASN A 77 7.358 15.170 3.958 1.00 0.00 C ATOM 1124 CG ASN A 77 6.812 15.922 5.173 1.00 0.00 C ATOM 1125 OD1 ASN A 77 5.619 16.131 5.323 1.00 0.00 O ATOM 1126 ND2 ASN A 77 7.749 16.317 6.031 1.00 0.00 N ATOM 0 H ASN A 77 5.466 16.699 3.461 1.00 0.00 H new ATOM 0 HA ASN A 77 8.158 16.726 2.706 1.00 0.00 H new ATOM 0 HB2 ASN A 77 6.777 14.262 3.796 1.00 0.00 H new ATOM 0 HB3 ASN A 77 8.386 14.861 4.149 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.486 16.827 6.874 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.730 16.110 5.846 1.00 0.00 H new ATOM 1133 N PRO A 78 8.554 15.027 0.870 1.00 0.00 N ATOM 1134 CA PRO A 78 8.735 14.187 -0.301 1.00 0.00 C ATOM 1135 C PRO A 78 8.775 12.707 0.085 1.00 0.00 C ATOM 1136 O PRO A 78 9.555 12.308 0.949 1.00 0.00 O ATOM 1137 CB PRO A 78 10.029 14.671 -0.936 1.00 0.00 C ATOM 1138 CG PRO A 78 10.762 15.442 0.150 1.00 0.00 C ATOM 1139 CD PRO A 78 9.778 15.713 1.275 1.00 0.00 C ATOM 0 HA PRO A 78 7.907 14.265 -1.006 1.00 0.00 H new ATOM 0 HB2 PRO A 78 10.627 13.832 -1.291 1.00 0.00 H new ATOM 0 HB3 PRO A 78 9.827 15.307 -1.798 1.00 0.00 H new ATOM 0 HG2 PRO A 78 11.613 14.868 0.517 1.00 0.00 H new ATOM 0 HG3 PRO A 78 11.156 16.378 -0.246 1.00 0.00 H new ATOM 0 HD2 PRO A 78 10.149 15.332 2.226 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.609 16.782 1.404 1.00 0.00 H new ATOM 1147 N SER A 79 7.925 11.933 -0.573 1.00 0.00 N ATOM 1148 CA SER A 79 7.853 10.506 -0.310 1.00 0.00 C ATOM 1149 C SER A 79 8.675 9.740 -1.348 1.00 0.00 C ATOM 1150 O SER A 79 8.952 10.257 -2.430 1.00 0.00 O ATOM 1151 CB SER A 79 6.403 10.018 -0.314 1.00 0.00 C ATOM 1152 OG SER A 79 5.742 10.297 0.917 1.00 0.00 O ATOM 0 H SER A 79 7.280 12.268 -1.289 1.00 0.00 H new ATOM 0 HA SER A 79 8.268 10.319 0.681 1.00 0.00 H new ATOM 0 HB2 SER A 79 5.862 10.495 -1.132 1.00 0.00 H new ATOM 0 HB3 SER A 79 6.382 8.944 -0.501 1.00 0.00 H new ATOM 0 HG SER A 79 5.975 9.611 1.577 1.00 0.00 H new ATOM 1158 N THR A 80 9.041 8.520 -0.983 1.00 0.00 N ATOM 1159 CA THR A 80 9.825 7.678 -1.870 1.00 0.00 C ATOM 1160 C THR A 80 9.064 6.391 -2.194 1.00 0.00 C ATOM 1161 O THR A 80 8.672 5.653 -1.291 1.00 0.00 O ATOM 1162 CB THR A 80 11.183 7.431 -1.210 1.00 0.00 C ATOM 1163 OG1 THR A 80 11.760 8.730 -1.106 1.00 0.00 O ATOM 1164 CG2 THR A 80 12.147 6.667 -2.120 1.00 0.00 C ATOM 0 H THR A 80 8.809 8.095 -0.085 1.00 0.00 H new ATOM 0 HA THR A 80 9.998 8.167 -2.829 1.00 0.00 H new ATOM 0 HB THR A 80 11.040 6.874 -0.284 1.00 0.00 H new ATOM 0 HG1 THR A 80 12.648 8.728 -1.521 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.095 6.519 -1.603 1.00 0.00 H new ATOM 0 HG22 THR A 80 11.717 5.698 -2.374 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.317 7.239 -3.032 1.00 0.00 H new ATOM 1172 N VAL A 81 8.879 6.160 -3.486 1.00 0.00 N ATOM 1173 CA VAL A 81 8.171 4.975 -3.940 1.00 0.00 C ATOM 1174 C VAL A 81 9.183 3.952 -4.461 1.00 0.00 C ATOM 1175 O VAL A 81 9.430 3.875 -5.663 1.00 0.00 O ATOM 1176 CB VAL A 81 7.120 5.361 -4.983 1.00 0.00 C ATOM 1177 CG1 VAL A 81 6.692 4.144 -5.806 1.00 0.00 C ATOM 1178 CG2 VAL A 81 5.912 6.029 -4.323 1.00 0.00 C ATOM 0 H VAL A 81 9.207 6.773 -4.232 1.00 0.00 H new ATOM 0 HA VAL A 81 7.633 4.510 -3.114 1.00 0.00 H new ATOM 0 HB VAL A 81 7.572 6.083 -5.663 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.945 4.446 -6.540 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.559 3.729 -6.320 1.00 0.00 H new ATOM 0 HG13 VAL A 81 6.267 3.389 -5.145 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.180 6.293 -5.086 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.460 5.340 -3.610 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.234 6.930 -3.802 1.00 0.00 H new ATOM 1188 N GLY A 82 9.739 3.191 -3.530 1.00 0.00 N ATOM 1189 CA GLY A 82 10.718 2.175 -3.880 1.00 0.00 C ATOM 1190 C GLY A 82 12.142 2.718 -3.748 1.00 0.00 C ATOM 1191 O GLY A 82 12.709 2.725 -2.656 1.00 0.00 O ATOM 0 H GLY A 82 9.531 3.257 -2.534 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.594 1.307 -3.232 1.00 0.00 H new ATOM 0 HA3 GLY A 82 10.547 1.837 -4.902 1.00 0.00 H new ATOM 1195 N VAL A 83 12.680 3.159 -4.876 1.00 0.00 N ATOM 1196 CA VAL A 83 14.027 3.702 -4.900 1.00 0.00 C ATOM 1197 C VAL A 83 14.016 5.051 -5.622 1.00 0.00 C ATOM 1198 O VAL A 83 15.065 5.556 -6.019 1.00 0.00 O ATOM 1199 CB VAL A 83 14.987 2.693 -5.534 1.00 0.00 C ATOM 1200 CG1 VAL A 83 14.710 2.538 -7.031 1.00 0.00 C ATOM 1201 CG2 VAL A 83 16.443 3.090 -5.284 1.00 0.00 C ATOM 0 H VAL A 83 12.207 3.151 -5.780 1.00 0.00 H new ATOM 0 HA VAL A 83 14.385 3.879 -3.886 1.00 0.00 H new ATOM 0 HB VAL A 83 14.817 1.726 -5.060 1.00 0.00 H new ATOM 0 HG11 VAL A 83 15.406 1.815 -7.457 1.00 0.00 H new ATOM 0 HG12 VAL A 83 13.688 2.188 -7.178 1.00 0.00 H new ATOM 0 HG13 VAL A 83 14.838 3.501 -7.526 1.00 0.00 H new ATOM 0 HG21 VAL A 83 17.104 2.356 -5.745 1.00 0.00 H new ATOM 0 HG22 VAL A 83 16.632 4.072 -5.718 1.00 0.00 H new ATOM 0 HG23 VAL A 83 16.632 3.125 -4.211 1.00 0.00 H new ATOM 1211 N GLN A 84 12.817 5.596 -5.770 1.00 0.00 N ATOM 1212 CA GLN A 84 12.656 6.877 -6.438 1.00 0.00 C ATOM 1213 C GLN A 84 11.909 7.858 -5.531 1.00 0.00 C ATOM 1214 O GLN A 84 10.926 7.490 -4.889 1.00 0.00 O ATOM 1215 CB GLN A 84 11.934 6.711 -7.776 1.00 0.00 C ATOM 1216 CG GLN A 84 11.469 8.063 -8.321 1.00 0.00 C ATOM 1217 CD GLN A 84 11.373 8.035 -9.848 1.00 0.00 C ATOM 1218 OE1 GLN A 84 11.397 6.991 -10.478 1.00 0.00 O ATOM 1219 NE2 GLN A 84 11.263 9.238 -10.404 1.00 0.00 N ATOM 0 H GLN A 84 11.949 5.175 -5.439 1.00 0.00 H new ATOM 0 HA GLN A 84 13.646 7.284 -6.645 1.00 0.00 H new ATOM 0 HB2 GLN A 84 12.600 6.235 -8.496 1.00 0.00 H new ATOM 0 HB3 GLN A 84 11.076 6.051 -7.650 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.497 8.315 -7.897 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.165 8.843 -8.011 1.00 0.00 H new ATOM 0 HE21 GLN A 84 11.249 10.072 -9.817 1.00 0.00 H new ATOM 0 HE22 GLN A 84 11.192 9.327 -11.418 1.00 0.00 H new ATOM 1228 N GLU A 85 12.405 9.086 -5.506 1.00 0.00 N ATOM 1229 CA GLU A 85 11.797 10.122 -4.689 1.00 0.00 C ATOM 1230 C GLU A 85 10.629 10.770 -5.435 1.00 0.00 C ATOM 1231 O GLU A 85 10.674 10.920 -6.655 1.00 0.00 O ATOM 1232 CB GLU A 85 12.832 11.170 -4.273 1.00 0.00 C ATOM 1233 CG GLU A 85 12.826 11.376 -2.757 1.00 0.00 C ATOM 1234 CD GLU A 85 14.134 10.887 -2.132 1.00 0.00 C ATOM 1235 OE1 GLU A 85 14.282 9.651 -2.021 1.00 0.00 O ATOM 1236 OE2 GLU A 85 14.956 11.760 -1.780 1.00 0.00 O ATOM 0 H GLU A 85 13.221 9.387 -6.039 1.00 0.00 H new ATOM 0 HA GLU A 85 11.410 9.661 -3.780 1.00 0.00 H new ATOM 0 HB2 GLU A 85 13.824 10.855 -4.597 1.00 0.00 H new ATOM 0 HB3 GLU A 85 12.619 12.115 -4.773 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.683 12.433 -2.531 1.00 0.00 H new ATOM 0 HG3 GLU A 85 11.986 10.839 -2.317 1.00 0.00 H new ATOM 1243 N LEU A 86 9.611 11.137 -4.670 1.00 0.00 N ATOM 1244 CA LEU A 86 8.433 11.766 -5.244 1.00 0.00 C ATOM 1245 C LEU A 86 8.458 13.264 -4.933 1.00 0.00 C ATOM 1246 O LEU A 86 9.446 13.777 -4.412 1.00 0.00 O ATOM 1247 CB LEU A 86 7.163 11.059 -4.766 1.00 0.00 C ATOM 1248 CG LEU A 86 6.809 9.756 -5.486 1.00 0.00 C ATOM 1249 CD1 LEU A 86 5.386 9.309 -5.143 1.00 0.00 C ATOM 1250 CD2 LEU A 86 7.020 9.889 -6.996 1.00 0.00 C ATOM 0 H LEU A 86 9.577 11.011 -3.658 1.00 0.00 H new ATOM 0 HA LEU A 86 8.437 11.666 -6.329 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.268 10.846 -3.702 1.00 0.00 H new ATOM 0 HB3 LEU A 86 6.325 11.748 -4.872 1.00 0.00 H new ATOM 0 HG LEU A 86 7.485 8.977 -5.134 1.00 0.00 H new ATOM 0 HD11 LEU A 86 5.160 8.381 -5.668 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.305 9.147 -4.068 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.679 10.080 -5.449 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.761 8.949 -7.484 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.385 10.686 -7.383 1.00 0.00 H new ATOM 0 HD23 LEU A 86 8.064 10.127 -7.198 1.00 0.00 H new ATOM 1262 N LYS A 87 7.358 13.923 -5.267 1.00 0.00 N ATOM 1263 CA LYS A 87 7.241 15.352 -5.030 1.00 0.00 C ATOM 1264 C LYS A 87 5.806 15.679 -4.612 1.00 0.00 C ATOM 1265 O LYS A 87 4.931 14.815 -4.652 1.00 0.00 O ATOM 1266 CB LYS A 87 7.719 16.138 -6.252 1.00 0.00 C ATOM 1267 CG LYS A 87 9.066 16.810 -5.978 1.00 0.00 C ATOM 1268 CD LYS A 87 9.750 17.220 -7.284 1.00 0.00 C ATOM 1269 CE LYS A 87 11.255 16.949 -7.224 1.00 0.00 C ATOM 1270 NZ LYS A 87 11.973 17.796 -8.202 1.00 0.00 N ATOM 0 H LYS A 87 6.540 13.494 -5.700 1.00 0.00 H new ATOM 0 HA LYS A 87 7.890 15.657 -4.209 1.00 0.00 H new ATOM 0 HB2 LYS A 87 7.810 15.468 -7.107 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.979 16.893 -6.516 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.917 17.688 -5.350 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.711 16.128 -5.424 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.311 16.670 -8.117 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.575 18.279 -7.473 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.627 17.149 -6.219 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.450 15.897 -7.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 12.993 17.600 -8.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 11.630 17.586 -9.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.801 18.799 -7.985 1.00 0.00 H new ATOM 1284 N PRO A 88 5.603 16.962 -4.210 1.00 0.00 N ATOM 1285 CA PRO A 88 4.289 17.414 -3.784 1.00 0.00 C ATOM 1286 C PRO A 88 3.360 17.607 -4.985 1.00 0.00 C ATOM 1287 O PRO A 88 3.589 18.483 -5.817 1.00 0.00 O ATOM 1288 CB PRO A 88 4.545 18.702 -3.019 1.00 0.00 C ATOM 1289 CG PRO A 88 5.930 19.168 -3.438 1.00 0.00 C ATOM 1290 CD PRO A 88 6.615 18.013 -4.150 1.00 0.00 C ATOM 0 HA PRO A 88 3.778 16.687 -3.153 1.00 0.00 H new ATOM 0 HB2 PRO A 88 3.792 19.453 -3.256 1.00 0.00 H new ATOM 0 HB3 PRO A 88 4.499 18.533 -1.943 1.00 0.00 H new ATOM 0 HG2 PRO A 88 5.858 20.034 -4.096 1.00 0.00 H new ATOM 0 HG3 PRO A 88 6.509 19.477 -2.567 1.00 0.00 H new ATOM 0 HD2 PRO A 88 6.945 18.303 -5.148 1.00 0.00 H new ATOM 0 HD3 PRO A 88 7.499 17.681 -3.606 1.00 0.00 H new ATOM 1298 N GLY A 89 2.332 16.773 -5.036 1.00 0.00 N ATOM 1299 CA GLY A 89 1.367 16.841 -6.121 1.00 0.00 C ATOM 1300 C GLY A 89 1.719 15.847 -7.230 1.00 0.00 C ATOM 1301 O GLY A 89 1.027 15.773 -8.245 1.00 0.00 O ATOM 0 H GLY A 89 2.146 16.047 -4.344 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.369 16.627 -5.739 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.342 17.852 -6.528 1.00 0.00 H new ATOM 1305 N LEU A 90 2.793 15.107 -6.999 1.00 0.00 N ATOM 1306 CA LEU A 90 3.245 14.120 -7.965 1.00 0.00 C ATOM 1307 C LEU A 90 2.457 12.823 -7.770 1.00 0.00 C ATOM 1308 O LEU A 90 1.597 12.741 -6.894 1.00 0.00 O ATOM 1309 CB LEU A 90 4.761 13.938 -7.876 1.00 0.00 C ATOM 1310 CG LEU A 90 5.480 13.644 -9.195 1.00 0.00 C ATOM 1311 CD1 LEU A 90 4.930 14.516 -10.325 1.00 0.00 C ATOM 1312 CD2 LEU A 90 6.994 13.796 -9.039 1.00 0.00 C ATOM 0 H LEU A 90 3.364 15.171 -6.156 1.00 0.00 H new ATOM 0 HA LEU A 90 3.048 14.463 -8.981 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.191 14.842 -7.444 1.00 0.00 H new ATOM 0 HB3 LEU A 90 4.969 13.123 -7.182 1.00 0.00 H new ATOM 0 HG LEU A 90 5.287 12.606 -9.466 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.458 14.287 -11.251 1.00 0.00 H new ATOM 0 HD12 LEU A 90 3.866 14.315 -10.455 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.073 15.567 -10.076 1.00 0.00 H new ATOM 0 HD21 LEU A 90 7.481 13.582 -9.990 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.228 14.816 -8.733 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.354 13.099 -8.282 1.00 0.00 H new ATOM 1324 N SER A 91 2.779 11.842 -8.600 1.00 0.00 N ATOM 1325 CA SER A 91 2.112 10.553 -8.529 1.00 0.00 C ATOM 1326 C SER A 91 3.004 9.469 -9.138 1.00 0.00 C ATOM 1327 O SER A 91 3.582 9.663 -10.206 1.00 0.00 O ATOM 1328 CB SER A 91 0.760 10.592 -9.245 1.00 0.00 C ATOM 1329 OG SER A 91 0.479 11.881 -9.785 1.00 0.00 O ATOM 0 H SER A 91 3.493 11.914 -9.325 1.00 0.00 H new ATOM 0 HA SER A 91 1.930 10.319 -7.480 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.753 9.854 -10.047 1.00 0.00 H new ATOM 0 HB3 SER A 91 -0.028 10.312 -8.547 1.00 0.00 H new ATOM 0 HG SER A 91 -0.391 11.864 -10.235 1.00 0.00 H new ATOM 1335 N GLY A 92 3.087 8.351 -8.432 1.00 0.00 N ATOM 1336 CA GLY A 92 3.899 7.236 -8.889 1.00 0.00 C ATOM 1337 C GLY A 92 3.116 5.923 -8.817 1.00 0.00 C ATOM 1338 O GLY A 92 1.901 5.930 -8.628 1.00 0.00 O ATOM 0 H GLY A 92 2.605 8.193 -7.547 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.224 7.414 -9.914 1.00 0.00 H new ATOM 0 HA3 GLY A 92 4.798 7.162 -8.278 1.00 0.00 H new ATOM 1342 N SER A 93 3.846 4.827 -8.971 1.00 0.00 N ATOM 1343 CA SER A 93 3.235 3.510 -8.926 1.00 0.00 C ATOM 1344 C SER A 93 4.055 2.584 -8.026 1.00 0.00 C ATOM 1345 O SER A 93 5.256 2.784 -7.853 1.00 0.00 O ATOM 1346 CB SER A 93 3.111 2.912 -10.329 1.00 0.00 C ATOM 1347 OG SER A 93 4.356 2.912 -11.022 1.00 0.00 O ATOM 0 H SER A 93 4.854 4.825 -9.127 1.00 0.00 H new ATOM 0 HA SER A 93 2.231 3.613 -8.514 1.00 0.00 H new ATOM 0 HB2 SER A 93 2.737 1.891 -10.256 1.00 0.00 H new ATOM 0 HB3 SER A 93 2.378 3.480 -10.901 1.00 0.00 H new ATOM 0 HG SER A 93 4.235 2.521 -11.912 1.00 0.00 H new ATOM 1353 N LEU A 94 3.373 1.590 -7.476 1.00 0.00 N ATOM 1354 CA LEU A 94 4.024 0.632 -6.597 1.00 0.00 C ATOM 1355 C LEU A 94 3.669 -0.787 -7.045 1.00 0.00 C ATOM 1356 O LEU A 94 2.498 -1.105 -7.242 1.00 0.00 O ATOM 1357 CB LEU A 94 3.673 0.922 -5.136 1.00 0.00 C ATOM 1358 CG LEU A 94 4.833 1.365 -4.243 1.00 0.00 C ATOM 1359 CD1 LEU A 94 4.695 2.839 -3.856 1.00 0.00 C ATOM 1360 CD2 LEU A 94 4.958 0.460 -3.016 1.00 0.00 C ATOM 0 H LEU A 94 2.377 1.427 -7.622 1.00 0.00 H new ATOM 0 HA LEU A 94 5.108 0.726 -6.665 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.907 1.697 -5.114 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.230 0.024 -4.704 1.00 0.00 H new ATOM 0 HG LEU A 94 5.758 1.266 -4.811 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.532 3.128 -3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.693 3.453 -4.757 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.761 2.987 -3.314 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.790 0.797 -2.398 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.036 0.503 -2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.137 -0.566 -3.337 1.00 0.00 H new ATOM 1372 N SER A 95 4.703 -1.602 -7.192 1.00 0.00 N ATOM 1373 CA SER A 95 4.516 -2.980 -7.613 1.00 0.00 C ATOM 1374 C SER A 95 4.547 -3.908 -6.397 1.00 0.00 C ATOM 1375 O SER A 95 5.053 -3.534 -5.340 1.00 0.00 O ATOM 1376 CB SER A 95 5.584 -3.397 -8.626 1.00 0.00 C ATOM 1377 OG SER A 95 6.842 -2.784 -8.358 1.00 0.00 O ATOM 0 H SER A 95 5.673 -1.334 -7.027 1.00 0.00 H new ATOM 0 HA SER A 95 3.543 -3.060 -8.098 1.00 0.00 H new ATOM 0 HB2 SER A 95 5.698 -4.481 -8.608 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.256 -3.128 -9.630 1.00 0.00 H new ATOM 0 HG SER A 95 6.742 -1.809 -8.380 1.00 0.00 H new ATOM 1383 N LEU A 96 4.001 -5.100 -6.587 1.00 0.00 N ATOM 1384 CA LEU A 96 3.960 -6.084 -5.519 1.00 0.00 C ATOM 1385 C LEU A 96 5.371 -6.287 -4.964 1.00 0.00 C ATOM 1386 O LEU A 96 6.221 -6.885 -5.623 1.00 0.00 O ATOM 1387 CB LEU A 96 3.299 -7.375 -6.005 1.00 0.00 C ATOM 1388 CG LEU A 96 1.868 -7.619 -5.522 1.00 0.00 C ATOM 1389 CD1 LEU A 96 1.238 -8.809 -6.249 1.00 0.00 C ATOM 1390 CD2 LEU A 96 1.824 -7.788 -4.001 1.00 0.00 C ATOM 0 H LEU A 96 3.583 -5.407 -7.465 1.00 0.00 H new ATOM 0 HA LEU A 96 3.341 -5.727 -4.696 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.298 -7.371 -7.095 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.916 -8.217 -5.690 1.00 0.00 H new ATOM 0 HG LEU A 96 1.271 -6.740 -5.766 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.221 -8.960 -5.886 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.215 -8.610 -7.320 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.828 -9.706 -6.059 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.796 -7.960 -3.684 1.00 0.00 H new ATOM 0 HD22 LEU A 96 2.440 -8.639 -3.712 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.205 -6.885 -3.523 1.00 0.00 H new ATOM 1402 N GLY A 97 5.577 -5.777 -3.759 1.00 0.00 N ATOM 1403 CA GLY A 97 6.871 -5.895 -3.108 1.00 0.00 C ATOM 1404 C GLY A 97 7.508 -4.520 -2.901 1.00 0.00 C ATOM 1405 O GLY A 97 8.142 -4.273 -1.876 1.00 0.00 O ATOM 0 H GLY A 97 4.870 -5.281 -3.216 1.00 0.00 H new ATOM 0 HA2 GLY A 97 6.754 -6.394 -2.146 1.00 0.00 H new ATOM 0 HA3 GLY A 97 7.531 -6.518 -3.712 1.00 0.00 H new ATOM 1409 N ASP A 98 7.317 -3.659 -3.890 1.00 0.00 N ATOM 1410 CA ASP A 98 7.865 -2.315 -3.829 1.00 0.00 C ATOM 1411 C ASP A 98 7.534 -1.695 -2.470 1.00 0.00 C ATOM 1412 O ASP A 98 6.505 -2.010 -1.875 1.00 0.00 O ATOM 1413 CB ASP A 98 7.260 -1.424 -4.916 1.00 0.00 C ATOM 1414 CG ASP A 98 7.920 -1.541 -6.291 1.00 0.00 C ATOM 1415 OD1 ASP A 98 8.767 -2.449 -6.438 1.00 0.00 O ATOM 1416 OD2 ASP A 98 7.564 -0.721 -7.164 1.00 0.00 O ATOM 0 H ASP A 98 6.790 -3.866 -4.738 1.00 0.00 H new ATOM 0 HA ASP A 98 8.943 -2.383 -3.977 1.00 0.00 H new ATOM 0 HB2 ASP A 98 6.202 -1.666 -5.016 1.00 0.00 H new ATOM 0 HB3 ASP A 98 7.320 -0.386 -4.588 1.00 0.00 H new ATOM 1421 N VAL A 99 8.425 -0.824 -2.020 1.00 0.00 N ATOM 1422 CA VAL A 99 8.240 -0.157 -0.742 1.00 0.00 C ATOM 1423 C VAL A 99 7.681 1.246 -0.981 1.00 0.00 C ATOM 1424 O VAL A 99 7.708 1.747 -2.104 1.00 0.00 O ATOM 1425 CB VAL A 99 9.555 -0.151 0.040 1.00 0.00 C ATOM 1426 CG1 VAL A 99 9.378 0.515 1.406 1.00 0.00 C ATOM 1427 CG2 VAL A 99 10.111 -1.569 0.189 1.00 0.00 C ATOM 0 H VAL A 99 9.277 -0.565 -2.517 1.00 0.00 H new ATOM 0 HA VAL A 99 7.516 -0.696 -0.131 1.00 0.00 H new ATOM 0 HB VAL A 99 10.279 0.435 -0.527 1.00 0.00 H new ATOM 0 HG11 VAL A 99 10.328 0.506 1.941 1.00 0.00 H new ATOM 0 HG12 VAL A 99 9.049 1.545 1.269 1.00 0.00 H new ATOM 0 HG13 VAL A 99 8.631 -0.031 1.983 1.00 0.00 H new ATOM 0 HG21 VAL A 99 11.046 -1.536 0.749 1.00 0.00 H new ATOM 0 HG22 VAL A 99 9.390 -2.188 0.723 1.00 0.00 H new ATOM 0 HG23 VAL A 99 10.294 -1.994 -0.798 1.00 0.00 H new ATOM 1437 N LEU A 100 7.186 1.842 0.094 1.00 0.00 N ATOM 1438 CA LEU A 100 6.620 3.178 0.015 1.00 0.00 C ATOM 1439 C LEU A 100 6.918 3.931 1.314 1.00 0.00 C ATOM 1440 O LEU A 100 6.093 3.955 2.225 1.00 0.00 O ATOM 1441 CB LEU A 100 5.131 3.110 -0.328 1.00 0.00 C ATOM 1442 CG LEU A 100 4.373 4.439 -0.293 1.00 0.00 C ATOM 1443 CD1 LEU A 100 4.955 5.429 -1.304 1.00 0.00 C ATOM 1444 CD2 LEU A 100 2.873 4.221 -0.503 1.00 0.00 C ATOM 0 H LEU A 100 7.165 1.424 1.024 1.00 0.00 H new ATOM 0 HA LEU A 100 7.084 3.741 -0.795 1.00 0.00 H new ATOM 0 HB2 LEU A 100 5.027 2.682 -1.325 1.00 0.00 H new ATOM 0 HB3 LEU A 100 4.650 2.422 0.366 1.00 0.00 H new ATOM 0 HG LEU A 100 4.499 4.878 0.697 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.398 6.365 -1.259 1.00 0.00 H new ATOM 0 HD12 LEU A 100 6.002 5.618 -1.067 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.880 5.010 -2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 100 2.358 5.181 -0.474 1.00 0.00 H new ATOM 0 HD22 LEU A 100 2.706 3.749 -1.471 1.00 0.00 H new ATOM 0 HD23 LEU A 100 2.485 3.577 0.286 1.00 0.00 H new ATOM 1456 N TYR A 101 8.101 4.526 1.356 1.00 0.00 N ATOM 1457 CA TYR A 101 8.519 5.277 2.528 1.00 0.00 C ATOM 1458 C TYR A 101 7.575 6.452 2.791 1.00 0.00 C ATOM 1459 O TYR A 101 7.684 7.496 2.149 1.00 0.00 O ATOM 1460 CB TYR A 101 9.913 5.820 2.206 1.00 0.00 C ATOM 1461 CG TYR A 101 10.971 4.735 1.998 1.00 0.00 C ATOM 1462 CD1 TYR A 101 11.575 4.143 3.089 1.00 0.00 C ATOM 1463 CD2 TYR A 101 11.322 4.348 0.721 1.00 0.00 C ATOM 1464 CE1 TYR A 101 12.571 3.121 2.894 1.00 0.00 C ATOM 1465 CE2 TYR A 101 12.318 3.327 0.526 1.00 0.00 C ATOM 1466 CZ TYR A 101 12.893 2.764 1.622 1.00 0.00 C ATOM 1467 OH TYR A 101 13.834 1.799 1.438 1.00 0.00 O ATOM 0 H TYR A 101 8.783 4.503 0.598 1.00 0.00 H new ATOM 0 HA TYR A 101 8.512 4.642 3.414 1.00 0.00 H new ATOM 0 HB2 TYR A 101 9.854 6.433 1.306 1.00 0.00 H new ATOM 0 HB3 TYR A 101 10.233 6.474 3.017 1.00 0.00 H new ATOM 0 HD1 TYR A 101 11.301 4.446 4.089 1.00 0.00 H new ATOM 0 HD2 TYR A 101 10.849 4.811 -0.133 1.00 0.00 H new ATOM 0 HE1 TYR A 101 13.051 2.649 3.739 1.00 0.00 H new ATOM 0 HE2 TYR A 101 12.602 3.015 -0.468 1.00 0.00 H new ATOM 0 HH TYR A 101 13.962 1.646 0.479 1.00 0.00 H new ATOM 1477 N LEU A 102 6.670 6.243 3.736 1.00 0.00 N ATOM 1478 CA LEU A 102 5.708 7.272 4.092 1.00 0.00 C ATOM 1479 C LEU A 102 6.391 8.640 4.047 1.00 0.00 C ATOM 1480 O LEU A 102 5.964 9.527 3.309 1.00 0.00 O ATOM 1481 CB LEU A 102 5.057 6.954 5.440 1.00 0.00 C ATOM 1482 CG LEU A 102 3.539 6.764 5.423 1.00 0.00 C ATOM 1483 CD1 LEU A 102 3.150 5.404 6.007 1.00 0.00 C ATOM 1484 CD2 LEU A 102 2.835 7.918 6.140 1.00 0.00 C ATOM 0 H LEU A 102 6.583 5.376 4.266 1.00 0.00 H new ATOM 0 HA LEU A 102 4.893 7.298 3.369 1.00 0.00 H new ATOM 0 HB2 LEU A 102 5.513 6.046 5.836 1.00 0.00 H new ATOM 0 HB3 LEU A 102 5.295 7.759 6.135 1.00 0.00 H new ATOM 0 HG LEU A 102 3.204 6.776 4.386 1.00 0.00 H new ATOM 0 HD11 LEU A 102 2.066 5.294 5.983 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.608 4.610 5.417 1.00 0.00 H new ATOM 0 HD13 LEU A 102 3.499 5.337 7.038 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.757 7.759 6.114 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.170 7.961 7.176 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.075 8.857 5.641 1.00 0.00 H new ATOM 1496 N VAL A 103 7.440 8.769 4.845 1.00 0.00 N ATOM 1497 CA VAL A 103 8.186 10.015 4.905 1.00 0.00 C ATOM 1498 C VAL A 103 9.543 9.760 5.565 1.00 0.00 C ATOM 1499 O VAL A 103 9.800 8.664 6.061 1.00 0.00 O ATOM 1500 CB VAL A 103 7.362 11.084 5.626 1.00 0.00 C ATOM 1501 CG1 VAL A 103 7.206 10.747 7.110 1.00 0.00 C ATOM 1502 CG2 VAL A 103 7.982 12.470 5.440 1.00 0.00 C ATOM 0 H VAL A 103 7.792 8.032 5.456 1.00 0.00 H new ATOM 0 HA VAL A 103 8.378 10.394 3.901 1.00 0.00 H new ATOM 0 HB VAL A 103 6.367 11.099 5.180 1.00 0.00 H new ATOM 0 HG11 VAL A 103 6.617 11.522 7.599 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.700 9.787 7.214 1.00 0.00 H new ATOM 0 HG13 VAL A 103 8.190 10.691 7.576 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.378 13.212 5.962 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.993 12.474 5.847 1.00 0.00 H new ATOM 0 HG23 VAL A 103 8.018 12.713 4.378 1.00 0.00 H new ATOM 1512 N ASN A 104 10.376 10.790 5.548 1.00 0.00 N ATOM 1513 CA ASN A 104 11.700 10.692 6.138 1.00 0.00 C ATOM 1514 C ASN A 104 12.342 9.367 5.722 1.00 0.00 C ATOM 1515 O ASN A 104 13.067 8.752 6.503 1.00 0.00 O ATOM 1516 CB ASN A 104 11.625 10.722 7.666 1.00 0.00 C ATOM 1517 CG ASN A 104 12.502 11.839 8.236 1.00 0.00 C ATOM 1518 OD1 ASN A 104 13.691 11.680 8.457 1.00 0.00 O ATOM 1519 ND2 ASN A 104 11.850 12.977 8.461 1.00 0.00 N ATOM 0 H ASN A 104 10.159 11.697 5.135 1.00 0.00 H new ATOM 0 HA ASN A 104 12.289 11.540 5.789 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.592 10.870 7.980 1.00 0.00 H new ATOM 0 HB3 ASN A 104 11.946 9.761 8.068 1.00 0.00 H new ATOM 0 HD21 ASN A 104 12.347 13.783 8.841 1.00 0.00 H new ATOM 0 HD22 ASN A 104 10.853 13.043 8.254 1.00 0.00 H new ATOM 1526 N GLY A 105 12.053 8.966 4.493 1.00 0.00 N ATOM 1527 CA GLY A 105 12.593 7.726 3.964 1.00 0.00 C ATOM 1528 C GLY A 105 12.443 6.587 4.975 1.00 0.00 C ATOM 1529 O GLY A 105 13.173 5.599 4.915 1.00 0.00 O ATOM 0 H GLY A 105 11.451 9.478 3.848 1.00 0.00 H new ATOM 0 HA2 GLY A 105 12.078 7.466 3.039 1.00 0.00 H new ATOM 0 HA3 GLY A 105 13.646 7.860 3.716 1.00 0.00 H new ATOM 1533 N LEU A 106 11.492 6.764 5.880 1.00 0.00 N ATOM 1534 CA LEU A 106 11.238 5.764 6.903 1.00 0.00 C ATOM 1535 C LEU A 106 9.810 5.236 6.750 1.00 0.00 C ATOM 1536 O LEU A 106 9.136 5.535 5.765 1.00 0.00 O ATOM 1537 CB LEU A 106 11.538 6.330 8.293 1.00 0.00 C ATOM 1538 CG LEU A 106 13.018 6.469 8.655 1.00 0.00 C ATOM 1539 CD1 LEU A 106 13.187 7.095 10.040 1.00 0.00 C ATOM 1540 CD2 LEU A 106 13.739 5.124 8.542 1.00 0.00 C ATOM 0 H LEU A 106 10.888 7.585 5.926 1.00 0.00 H new ATOM 0 HA LEU A 106 11.909 4.914 6.779 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.071 7.312 8.372 1.00 0.00 H new ATOM 0 HB3 LEU A 106 11.061 5.689 9.035 1.00 0.00 H new ATOM 0 HG LEU A 106 13.483 7.145 7.937 1.00 0.00 H new ATOM 0 HD11 LEU A 106 14.248 7.182 10.273 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.731 8.085 10.050 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.703 6.465 10.786 1.00 0.00 H new ATOM 0 HD21 LEU A 106 14.789 5.251 8.805 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.279 4.406 9.222 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.663 4.755 7.519 1.00 0.00 H new ATOM 1552 N TYR A 107 9.391 4.459 7.738 1.00 0.00 N ATOM 1553 CA TYR A 107 8.055 3.886 7.725 1.00 0.00 C ATOM 1554 C TYR A 107 7.704 3.346 6.337 1.00 0.00 C ATOM 1555 O TYR A 107 6.738 3.793 5.720 1.00 0.00 O ATOM 1556 CB TYR A 107 7.102 5.032 8.070 1.00 0.00 C ATOM 1557 CG TYR A 107 7.674 6.038 9.071 1.00 0.00 C ATOM 1558 CD1 TYR A 107 8.121 5.606 10.303 1.00 0.00 C ATOM 1559 CD2 TYR A 107 7.744 7.376 8.741 1.00 0.00 C ATOM 1560 CE1 TYR A 107 8.659 6.553 11.246 1.00 0.00 C ATOM 1561 CE2 TYR A 107 8.282 8.322 9.683 1.00 0.00 C ATOM 1562 CZ TYR A 107 8.713 7.864 10.889 1.00 0.00 C ATOM 1563 OH TYR A 107 9.222 8.758 11.779 1.00 0.00 O ATOM 0 H TYR A 107 9.953 4.213 8.553 1.00 0.00 H new ATOM 0 HA TYR A 107 7.985 3.058 8.430 1.00 0.00 H new ATOM 0 HB2 TYR A 107 6.836 5.558 7.153 1.00 0.00 H new ATOM 0 HB3 TYR A 107 6.181 4.615 8.476 1.00 0.00 H new ATOM 0 HD1 TYR A 107 8.068 4.558 10.560 1.00 0.00 H new ATOM 0 HD2 TYR A 107 7.395 7.713 7.776 1.00 0.00 H new ATOM 0 HE1 TYR A 107 9.011 6.229 12.214 1.00 0.00 H new ATOM 0 HE2 TYR A 107 8.342 9.372 9.438 1.00 0.00 H new ATOM 0 HH TYR A 107 8.984 9.667 11.501 1.00 0.00 H new ATOM 1573 N PRO A 108 8.528 2.368 5.875 1.00 0.00 N ATOM 1574 CA PRO A 108 8.314 1.762 4.572 1.00 0.00 C ATOM 1575 C PRO A 108 7.128 0.796 4.605 1.00 0.00 C ATOM 1576 O PRO A 108 7.030 -0.043 5.499 1.00 0.00 O ATOM 1577 CB PRO A 108 9.629 1.077 4.236 1.00 0.00 C ATOM 1578 CG PRO A 108 10.370 0.929 5.554 1.00 0.00 C ATOM 1579 CD PRO A 108 9.681 1.814 6.579 1.00 0.00 C ATOM 0 HA PRO A 108 8.054 2.492 3.806 1.00 0.00 H new ATOM 0 HB2 PRO A 108 9.456 0.105 3.774 1.00 0.00 H new ATOM 0 HB3 PRO A 108 10.208 1.669 3.527 1.00 0.00 H new ATOM 0 HG2 PRO A 108 10.363 -0.111 5.881 1.00 0.00 H new ATOM 0 HG3 PRO A 108 11.414 1.220 5.439 1.00 0.00 H new ATOM 0 HD2 PRO A 108 9.373 1.241 7.454 1.00 0.00 H new ATOM 0 HD3 PRO A 108 10.346 2.602 6.932 1.00 0.00 H new ATOM 1587 N LEU A 109 6.256 0.945 3.618 1.00 0.00 N ATOM 1588 CA LEU A 109 5.081 0.097 3.523 1.00 0.00 C ATOM 1589 C LEU A 109 5.227 -0.836 2.319 1.00 0.00 C ATOM 1590 O LEU A 109 5.179 -0.390 1.174 1.00 0.00 O ATOM 1591 CB LEU A 109 3.808 0.945 3.492 1.00 0.00 C ATOM 1592 CG LEU A 109 3.375 1.553 4.828 1.00 0.00 C ATOM 1593 CD1 LEU A 109 3.063 0.460 5.852 1.00 0.00 C ATOM 1594 CD2 LEU A 109 4.422 2.541 5.345 1.00 0.00 C ATOM 0 H LEU A 109 6.341 1.641 2.877 1.00 0.00 H new ATOM 0 HA LEU A 109 4.995 -0.534 4.408 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.952 1.755 2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 109 2.993 0.327 3.115 1.00 0.00 H new ATOM 0 HG LEU A 109 2.455 2.114 4.666 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.758 0.919 6.792 1.00 0.00 H new ATOM 0 HD12 LEU A 109 2.256 -0.170 5.477 1.00 0.00 H new ATOM 0 HD13 LEU A 109 3.952 -0.149 6.017 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.090 2.959 6.295 1.00 0.00 H new ATOM 0 HD22 LEU A 109 5.371 2.024 5.488 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.552 3.345 4.621 1.00 0.00 H new ATOM 1606 N THR A 110 5.404 -2.115 2.619 1.00 0.00 N ATOM 1607 CA THR A 110 5.558 -3.114 1.576 1.00 0.00 C ATOM 1608 C THR A 110 4.191 -3.518 1.018 1.00 0.00 C ATOM 1609 O THR A 110 3.277 -3.836 1.777 1.00 0.00 O ATOM 1610 CB THR A 110 6.347 -4.288 2.158 1.00 0.00 C ATOM 1611 OG1 THR A 110 7.559 -3.696 2.619 1.00 0.00 O ATOM 1612 CG2 THR A 110 6.802 -5.278 1.084 1.00 0.00 C ATOM 0 H THR A 110 5.444 -2.482 3.570 1.00 0.00 H new ATOM 0 HA THR A 110 6.116 -2.717 0.728 1.00 0.00 H new ATOM 0 HB THR A 110 5.734 -4.808 2.894 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.131 -4.387 3.014 1.00 0.00 H new ATOM 0 HG21 THR A 110 7.357 -6.092 1.551 1.00 0.00 H new ATOM 0 HG22 THR A 110 5.930 -5.682 0.569 1.00 0.00 H new ATOM 0 HG23 THR A 110 7.443 -4.767 0.366 1.00 0.00 H new ATOM 1620 N LEU A 111 4.096 -3.492 -0.303 1.00 0.00 N ATOM 1621 CA LEU A 111 2.856 -3.852 -0.971 1.00 0.00 C ATOM 1622 C LEU A 111 2.755 -5.375 -1.063 1.00 0.00 C ATOM 1623 O LEU A 111 3.630 -6.026 -1.631 1.00 0.00 O ATOM 1624 CB LEU A 111 2.752 -3.145 -2.324 1.00 0.00 C ATOM 1625 CG LEU A 111 1.511 -3.472 -3.157 1.00 0.00 C ATOM 1626 CD1 LEU A 111 0.231 -3.177 -2.373 1.00 0.00 C ATOM 1627 CD2 LEU A 111 1.543 -2.737 -4.499 1.00 0.00 C ATOM 0 H LEU A 111 4.857 -3.227 -0.929 1.00 0.00 H new ATOM 0 HA LEU A 111 1.998 -3.510 -0.392 1.00 0.00 H new ATOM 0 HB2 LEU A 111 2.777 -2.069 -2.152 1.00 0.00 H new ATOM 0 HB3 LEU A 111 3.636 -3.395 -2.911 1.00 0.00 H new ATOM 0 HG LEU A 111 1.517 -4.540 -3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.636 -3.418 -2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 111 0.212 -3.782 -1.466 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.204 -2.121 -2.105 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.650 -2.987 -5.072 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.573 -1.662 -4.324 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.429 -3.039 -5.058 1.00 0.00 H new ATOM 1639 N ARG A 112 1.679 -5.901 -0.495 1.00 0.00 N ATOM 1640 CA ARG A 112 1.452 -7.336 -0.506 1.00 0.00 C ATOM 1641 C ARG A 112 0.127 -7.658 -1.199 1.00 0.00 C ATOM 1642 O ARG A 112 -0.724 -6.784 -1.356 1.00 0.00 O ATOM 1643 CB ARG A 112 1.427 -7.900 0.916 1.00 0.00 C ATOM 1644 CG ARG A 112 2.812 -7.824 1.561 1.00 0.00 C ATOM 1645 CD ARG A 112 3.785 -8.794 0.888 1.00 0.00 C ATOM 1646 NE ARG A 112 5.097 -8.750 1.570 1.00 0.00 N ATOM 1647 CZ ARG A 112 6.019 -9.719 1.490 1.00 0.00 C ATOM 1648 NH1 ARG A 112 5.777 -10.814 0.757 1.00 0.00 N ATOM 1649 NH2 ARG A 112 7.182 -9.594 2.143 1.00 0.00 N ATOM 0 H ARG A 112 0.955 -5.358 -0.024 1.00 0.00 H new ATOM 0 HA ARG A 112 2.274 -7.798 -1.053 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.710 -7.343 1.519 1.00 0.00 H new ATOM 0 HB3 ARG A 112 1.089 -8.936 0.894 1.00 0.00 H new ATOM 0 HG2 ARG A 112 3.197 -6.807 1.486 1.00 0.00 H new ATOM 0 HG3 ARG A 112 2.736 -8.058 2.623 1.00 0.00 H new ATOM 0 HD2 ARG A 112 3.383 -9.807 0.921 1.00 0.00 H new ATOM 0 HD3 ARG A 112 3.904 -8.532 -0.163 1.00 0.00 H new ATOM 0 HE ARG A 112 5.313 -7.930 2.137 1.00 0.00 H new ATOM 0 HH11 ARG A 112 4.891 -10.910 0.260 1.00 0.00 H new ATOM 0 HH12 ARG A 112 6.478 -11.552 0.696 1.00 0.00 H new ATOM 0 HH21 ARG A 112 7.366 -8.761 2.702 1.00 0.00 H new ATOM 0 HH22 ARG A 112 7.883 -10.332 2.082 1.00 0.00 H new ATOM 1663 N TRP A 113 -0.006 -8.915 -1.596 1.00 0.00 N ATOM 1664 CA TRP A 113 -1.213 -9.364 -2.268 1.00 0.00 C ATOM 1665 C TRP A 113 -1.646 -10.686 -1.631 1.00 0.00 C ATOM 1666 O TRP A 113 -0.834 -11.594 -1.465 1.00 0.00 O ATOM 1667 CB TRP A 113 -0.991 -9.473 -3.778 1.00 0.00 C ATOM 1668 CG TRP A 113 -2.031 -10.333 -4.500 1.00 0.00 C ATOM 1669 CD1 TRP A 113 -2.155 -11.667 -4.481 1.00 0.00 C ATOM 1670 CD2 TRP A 113 -3.094 -9.860 -5.354 1.00 0.00 C ATOM 1671 NE1 TRP A 113 -3.216 -12.087 -5.256 1.00 0.00 N ATOM 1672 CE2 TRP A 113 -3.805 -10.954 -5.804 1.00 0.00 C ATOM 1673 CE3 TRP A 113 -3.444 -8.552 -5.733 1.00 0.00 C ATOM 1674 CZ2 TRP A 113 -4.910 -10.851 -6.658 1.00 0.00 C ATOM 1675 CZ3 TRP A 113 -4.550 -8.467 -6.586 1.00 0.00 C ATOM 1676 CH2 TRP A 113 -5.277 -9.558 -7.048 1.00 0.00 C ATOM 0 H TRP A 113 0.703 -9.637 -1.465 1.00 0.00 H new ATOM 0 HA TRP A 113 -2.016 -8.638 -2.143 1.00 0.00 H new ATOM 0 HB2 TRP A 113 -1.000 -8.472 -4.209 1.00 0.00 H new ATOM 0 HB3 TRP A 113 -0.000 -9.890 -3.960 1.00 0.00 H new ATOM 0 HD1 TRP A 113 -1.506 -12.330 -3.928 1.00 0.00 H new ATOM 0 HE1 TRP A 113 -3.514 -13.052 -5.400 1.00 0.00 H new ATOM 0 HE3 TRP A 113 -2.902 -7.682 -5.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 -5.450 -11.723 -6.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 -4.861 -7.484 -6.908 1.00 0.00 H new ATOM 0 HH2 TRP A 113 -6.121 -9.409 -7.705 1.00 0.00 H new ATOM 1687 N SER A 114 -2.925 -10.752 -1.292 1.00 0.00 N ATOM 1688 CA SER A 114 -3.476 -11.947 -0.677 1.00 0.00 C ATOM 1689 C SER A 114 -3.721 -13.018 -1.742 1.00 0.00 C ATOM 1690 O SER A 114 -4.118 -12.705 -2.863 1.00 0.00 O ATOM 1691 CB SER A 114 -4.774 -11.635 0.069 1.00 0.00 C ATOM 1692 OG SER A 114 -5.199 -12.725 0.883 1.00 0.00 O ATOM 0 H SER A 114 -3.596 -9.997 -1.432 1.00 0.00 H new ATOM 0 HA SER A 114 -2.753 -12.322 0.048 1.00 0.00 H new ATOM 0 HB2 SER A 114 -4.631 -10.752 0.692 1.00 0.00 H new ATOM 0 HB3 SER A 114 -5.556 -11.394 -0.651 1.00 0.00 H new ATOM 0 HG SER A 114 -6.030 -12.485 1.344 1.00 0.00 H new ATOM 1698 N GLY A 115 -3.473 -14.261 -1.353 1.00 0.00 N ATOM 1699 CA GLY A 115 -3.662 -15.380 -2.260 1.00 0.00 C ATOM 1700 C GLY A 115 -3.937 -16.672 -1.488 1.00 0.00 C ATOM 1701 O GLY A 115 -3.365 -16.896 -0.422 1.00 0.00 O ATOM 0 H GLY A 115 -3.143 -14.517 -0.422 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -4.493 -15.171 -2.933 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -2.774 -15.504 -2.879 1.00 0.00 H new ATOM 1705 N PRO A 116 -4.835 -17.510 -2.071 1.00 0.00 N ATOM 1706 CA PRO A 116 -5.193 -18.773 -1.448 1.00 0.00 C ATOM 1707 C PRO A 116 -4.073 -19.803 -1.615 1.00 0.00 C ATOM 1708 O PRO A 116 -3.418 -19.850 -2.655 1.00 0.00 O ATOM 1709 CB PRO A 116 -6.489 -19.191 -2.123 1.00 0.00 C ATOM 1710 CG PRO A 116 -6.564 -18.391 -3.413 1.00 0.00 C ATOM 1711 CD PRO A 116 -5.533 -17.277 -3.332 1.00 0.00 C ATOM 0 HA PRO A 116 -5.331 -18.687 -0.370 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -6.496 -20.262 -2.327 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -7.347 -18.983 -1.484 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -6.366 -19.032 -4.272 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -7.563 -17.977 -3.548 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -4.846 -17.311 -4.177 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -6.008 -16.296 -3.347 1.00 0.00 H new ATOM 1719 N SER A 117 -3.888 -20.602 -0.575 1.00 0.00 N ATOM 1720 CA SER A 117 -2.859 -21.627 -0.592 1.00 0.00 C ATOM 1721 C SER A 117 -3.030 -22.561 0.608 1.00 0.00 C ATOM 1722 O SER A 117 -3.331 -23.742 0.442 1.00 0.00 O ATOM 1723 CB SER A 117 -1.461 -21.005 -0.586 1.00 0.00 C ATOM 1724 OG SER A 117 -1.295 -20.076 0.481 1.00 0.00 O ATOM 0 H SER A 117 -4.434 -20.560 0.286 1.00 0.00 H new ATOM 0 HA SER A 117 -2.966 -22.203 -1.511 1.00 0.00 H new ATOM 0 HB2 SER A 117 -0.714 -21.794 -0.500 1.00 0.00 H new ATOM 0 HB3 SER A 117 -1.284 -20.501 -1.536 1.00 0.00 H new ATOM 0 HG SER A 117 -0.798 -20.501 1.211 1.00 0.00 H new ATOM 1730 N SER A 118 -2.830 -21.996 1.789 1.00 0.00 N ATOM 1731 CA SER A 118 -2.958 -22.763 3.017 1.00 0.00 C ATOM 1732 C SER A 118 -1.888 -23.856 3.065 1.00 0.00 C ATOM 1733 O SER A 118 -1.910 -24.787 2.262 1.00 0.00 O ATOM 1734 CB SER A 118 -4.352 -23.381 3.137 1.00 0.00 C ATOM 1735 OG SER A 118 -4.575 -23.949 4.425 1.00 0.00 O ATOM 0 H SER A 118 -2.580 -21.016 1.922 1.00 0.00 H new ATOM 0 HA SER A 118 -2.816 -22.086 3.859 1.00 0.00 H new ATOM 0 HB2 SER A 118 -5.105 -22.617 2.942 1.00 0.00 H new ATOM 0 HB3 SER A 118 -4.474 -24.151 2.375 1.00 0.00 H new ATOM 0 HG SER A 118 -5.476 -24.332 4.462 1.00 0.00 H new ATOM 1741 N GLY A 119 -0.976 -23.705 4.015 1.00 0.00 N ATOM 1742 CA GLY A 119 0.100 -24.667 4.178 1.00 0.00 C ATOM 1743 C GLY A 119 1.421 -23.964 4.497 1.00 0.00 C ATOM 1744 O GLY A 119 1.547 -23.312 5.533 1.00 0.00 O ATOM 0 H GLY A 119 -0.961 -22.931 4.679 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -0.148 -25.363 4.979 1.00 0.00 H new ATOM 0 HA3 GLY A 119 0.208 -25.255 3.267 1.00 0.00 H new TER 1748 GLY A 119