USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 922 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 24:sc= 1.14 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -0.0211 X(o=-0.021,f=-0.14) USER MOD Single : A 10 MET CE :methyl -135:sc= -5.92! (180deg=-10!) USER MOD Single : A 13 MET CE :methyl -152:sc= -3.93! (180deg=-5.54!) USER MOD Single : A 15 CYS SG : rot 180:sc= -0.33 USER MOD Single : A 17 LYS NZ :NH3+ -121:sc= 1.07 (180deg=-0.851) USER MOD Single : A 18 GLN : amide:sc= -15.6! C(o=-16!,f=-23!) USER MOD Single : A 20 MET CE :methyl 147:sc= -1.13 (180deg=-2.58) USER MOD Single : A 25 LYS NZ :NH3+ 167:sc= -0.0272 (180deg=-0.806) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.0206 X(o=-0.021,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.0553 X(o=-0.055,f=-0.42) USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 125:sc= -6.66! USER MOD Single : A 43 SER OG : rot 0:sc= 1.13 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= -0.0297 USER MOD Single : A 60 HIS :FLIP no HD1:sc= -0.286 F(o=-2.4,f=-0.29) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0176 USER MOD Single : A 71 GLN : amide:sc= -0.287 K(o=-0.29,f=-2.4!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -84:sc= 1.19 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HD1:sc= -7.44! C(o=-7.4!,f=-8.4!) USER MOD Single : A 86 LYS NZ :NH3+ -179:sc= 0.156 (180deg=0.156) USER MOD Single : A 90 GLN : amide:sc= -1.04 K(o=-1,f=-4.5!) USER MOD Single : A 93 LYS NZ :NH3+ 169:sc= -1.03 (180deg=-1.22) USER MOD Single : A 95 TYR OH : rot 50:sc= -1.28 USER MOD Single : A 98 GLN : amide:sc= -4.64! C(o=-4.6!,f=-5!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl 178:sc= -2.74! (180deg=-2.78) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.125 K(o=-0.12,f=-0.78) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.525 -25.983 7.552 1.00 0.00 N ATOM 2 CA GLY A 1 -3.671 -25.213 6.663 1.00 0.00 C ATOM 3 C GLY A 1 -4.466 -24.114 5.955 1.00 0.00 C ATOM 4 O GLY A 1 -5.048 -23.247 6.606 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.962 -26.722 8.020 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.936 -25.353 8.270 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.289 -26.426 7.002 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.855 -24.767 7.232 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.220 -25.874 5.923 1.00 0.00 H new ATOM 8 N SER A 2 -4.465 -24.186 4.632 1.00 0.00 N ATOM 9 CA SER A 2 -5.179 -23.208 3.829 1.00 0.00 C ATOM 10 C SER A 2 -6.599 -23.700 3.545 1.00 0.00 C ATOM 11 O SER A 2 -6.796 -24.608 2.739 1.00 0.00 O ATOM 12 CB SER A 2 -4.442 -22.928 2.518 1.00 0.00 C ATOM 13 OG SER A 2 -4.985 -21.805 1.829 1.00 0.00 O ATOM 0 H SER A 2 -3.981 -24.906 4.096 1.00 0.00 H new ATOM 0 HA SER A 2 -5.230 -22.276 4.392 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.387 -22.750 2.726 1.00 0.00 H new ATOM 0 HB3 SER A 2 -4.496 -23.808 1.877 1.00 0.00 H new ATOM 0 HG SER A 2 -4.486 -21.658 0.998 1.00 0.00 H new ATOM 19 N SER A 3 -7.553 -23.079 4.224 1.00 0.00 N ATOM 20 CA SER A 3 -8.950 -23.443 4.054 1.00 0.00 C ATOM 21 C SER A 3 -9.850 -22.334 4.604 1.00 0.00 C ATOM 22 O SER A 3 -9.528 -21.713 5.615 1.00 0.00 O ATOM 23 CB SER A 3 -9.261 -24.771 4.747 1.00 0.00 C ATOM 24 OG SER A 3 -8.843 -25.890 3.969 1.00 0.00 O ATOM 0 H SER A 3 -7.386 -22.327 4.892 1.00 0.00 H new ATOM 0 HA SER A 3 -9.145 -23.566 2.989 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.765 -24.798 5.717 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.333 -24.840 4.935 1.00 0.00 H new ATOM 0 HG SER A 3 -8.126 -25.615 3.360 1.00 0.00 H new ATOM 30 N GLY A 4 -10.960 -22.121 3.913 1.00 0.00 N ATOM 31 CA GLY A 4 -11.909 -21.098 4.319 1.00 0.00 C ATOM 32 C GLY A 4 -11.973 -19.969 3.288 1.00 0.00 C ATOM 33 O GLY A 4 -12.478 -20.160 2.183 1.00 0.00 O ATOM 0 H GLY A 4 -11.224 -22.639 3.075 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -12.897 -21.541 4.440 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.620 -20.693 5.289 1.00 0.00 H new ATOM 37 N SER A 5 -11.453 -18.817 3.687 1.00 0.00 N ATOM 38 CA SER A 5 -11.445 -17.657 2.811 1.00 0.00 C ATOM 39 C SER A 5 -10.622 -17.955 1.557 1.00 0.00 C ATOM 40 O SER A 5 -9.841 -18.905 1.533 1.00 0.00 O ATOM 41 CB SER A 5 -10.888 -16.427 3.532 1.00 0.00 C ATOM 42 OG SER A 5 -11.301 -15.213 2.911 1.00 0.00 O ATOM 0 H SER A 5 -11.035 -18.662 4.604 1.00 0.00 H new ATOM 0 HA SER A 5 -12.473 -17.440 2.520 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.219 -16.434 4.570 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.799 -16.476 3.544 1.00 0.00 H new ATOM 0 HG SER A 5 -10.927 -14.451 3.401 1.00 0.00 H new ATOM 48 N SER A 6 -10.825 -17.125 0.544 1.00 0.00 N ATOM 49 CA SER A 6 -10.111 -17.288 -0.712 1.00 0.00 C ATOM 50 C SER A 6 -8.927 -16.321 -0.769 1.00 0.00 C ATOM 51 O SER A 6 -9.011 -15.266 -1.395 1.00 0.00 O ATOM 52 CB SER A 6 -11.040 -17.060 -1.906 1.00 0.00 C ATOM 53 OG SER A 6 -11.902 -18.172 -2.132 1.00 0.00 O ATOM 0 H SER A 6 -11.473 -16.338 0.567 1.00 0.00 H new ATOM 0 HA SER A 6 -9.739 -18.311 -0.765 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.639 -16.166 -1.733 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.443 -16.876 -2.800 1.00 0.00 H new ATOM 0 HG SER A 6 -12.480 -17.987 -2.901 1.00 0.00 H new ATOM 59 N GLY A 7 -7.849 -16.716 -0.106 1.00 0.00 N ATOM 60 CA GLY A 7 -6.649 -15.899 -0.073 1.00 0.00 C ATOM 61 C GLY A 7 -6.858 -14.652 0.788 1.00 0.00 C ATOM 62 O GLY A 7 -7.990 -14.215 0.990 1.00 0.00 O ATOM 0 H GLY A 7 -7.783 -17.592 0.413 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.818 -16.483 0.322 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.378 -15.604 -1.087 1.00 0.00 H new ATOM 66 N GLU A 8 -5.749 -14.113 1.273 1.00 0.00 N ATOM 67 CA GLU A 8 -5.796 -12.925 2.108 1.00 0.00 C ATOM 68 C GLU A 8 -5.767 -11.665 1.240 1.00 0.00 C ATOM 69 O GLU A 8 -4.708 -11.259 0.765 1.00 0.00 O ATOM 70 CB GLU A 8 -4.649 -12.920 3.120 1.00 0.00 C ATOM 71 CG GLU A 8 -4.929 -13.889 4.271 1.00 0.00 C ATOM 72 CD GLU A 8 -4.240 -15.235 4.034 1.00 0.00 C ATOM 73 OE1 GLU A 8 -4.566 -15.866 3.006 1.00 0.00 O ATOM 74 OE2 GLU A 8 -3.403 -15.601 4.887 1.00 0.00 O ATOM 0 H GLU A 8 -4.812 -14.478 1.103 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.731 -12.935 2.668 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.720 -13.199 2.623 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.511 -11.913 3.513 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.579 -13.457 5.208 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -6.004 -14.039 4.371 1.00 0.00 H new ATOM 81 N GLN A 9 -6.943 -11.082 1.060 1.00 0.00 N ATOM 82 CA GLN A 9 -7.066 -9.877 0.258 1.00 0.00 C ATOM 83 C GLN A 9 -7.231 -8.653 1.161 1.00 0.00 C ATOM 84 O GLN A 9 -7.689 -8.772 2.296 1.00 0.00 O ATOM 85 CB GLN A 9 -8.229 -9.991 -0.730 1.00 0.00 C ATOM 86 CG GLN A 9 -9.555 -10.191 0.006 1.00 0.00 C ATOM 87 CD GLN A 9 -10.088 -11.611 -0.201 1.00 0.00 C ATOM 88 OE1 GLN A 9 -10.266 -12.078 -1.314 1.00 0.00 O ATOM 89 NE2 GLN A 9 -10.332 -12.267 0.930 1.00 0.00 N ATOM 0 H GLN A 9 -7.819 -11.422 1.456 1.00 0.00 H new ATOM 0 HA GLN A 9 -6.151 -9.756 -0.322 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -8.281 -9.090 -1.342 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -8.055 -10.827 -1.407 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.416 -10.002 1.071 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -10.287 -9.468 -0.353 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -10.160 -11.816 1.829 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -10.691 -13.221 0.899 1.00 0.00 H new ATOM 98 N MET A 10 -6.850 -7.504 0.623 1.00 0.00 N ATOM 99 CA MET A 10 -6.950 -6.259 1.366 1.00 0.00 C ATOM 100 C MET A 10 -7.005 -5.059 0.419 1.00 0.00 C ATOM 101 O MET A 10 -6.153 -4.915 -0.457 1.00 0.00 O ATOM 102 CB MET A 10 -5.744 -6.121 2.297 1.00 0.00 C ATOM 103 CG MET A 10 -5.723 -4.746 2.967 1.00 0.00 C ATOM 104 SD MET A 10 -5.035 -4.878 4.609 1.00 0.00 S ATOM 105 CE MET A 10 -5.510 -3.290 5.272 1.00 0.00 C ATOM 0 H MET A 10 -6.471 -7.409 -0.319 1.00 0.00 H new ATOM 0 HA MET A 10 -7.870 -6.279 1.950 1.00 0.00 H new ATOM 0 HB2 MET A 10 -5.777 -6.900 3.059 1.00 0.00 H new ATOM 0 HB3 MET A 10 -4.824 -6.268 1.731 1.00 0.00 H new ATOM 0 HG2 MET A 10 -5.132 -4.051 2.371 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.734 -4.342 3.019 1.00 0.00 H new ATOM 0 HE1 MET A 10 -4.665 -2.848 5.800 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.813 -2.632 4.458 1.00 0.00 H new ATOM 0 HE3 MET A 10 -6.342 -3.419 5.964 1.00 0.00 H new ATOM 115 N GLU A 11 -8.015 -4.227 0.628 1.00 0.00 N ATOM 116 CA GLU A 11 -8.192 -3.043 -0.196 1.00 0.00 C ATOM 117 C GLU A 11 -8.705 -1.878 0.652 1.00 0.00 C ATOM 118 O GLU A 11 -9.746 -1.987 1.299 1.00 0.00 O ATOM 119 CB GLU A 11 -9.136 -3.326 -1.367 1.00 0.00 C ATOM 120 CG GLU A 11 -10.440 -3.961 -0.879 1.00 0.00 C ATOM 121 CD GLU A 11 -11.432 -4.131 -2.031 1.00 0.00 C ATOM 122 OE1 GLU A 11 -10.975 -4.552 -3.116 1.00 0.00 O ATOM 123 OE2 GLU A 11 -12.625 -3.837 -1.801 1.00 0.00 O ATOM 0 H GLU A 11 -8.719 -4.349 1.356 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.223 -2.765 -0.612 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.355 -2.398 -1.895 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.648 -3.991 -2.080 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -10.230 -4.931 -0.429 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.883 -3.338 -0.102 1.00 0.00 H new ATOM 130 N GLY A 12 -7.951 -0.789 0.623 1.00 0.00 N ATOM 131 CA GLY A 12 -8.315 0.395 1.381 1.00 0.00 C ATOM 132 C GLY A 12 -7.482 1.603 0.947 1.00 0.00 C ATOM 133 O GLY A 12 -6.417 1.445 0.353 1.00 0.00 O ATOM 0 H GLY A 12 -7.088 -0.702 0.086 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.374 0.610 1.240 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.166 0.210 2.445 1.00 0.00 H new ATOM 137 N MET A 13 -7.999 2.782 1.260 1.00 0.00 N ATOM 138 CA MET A 13 -7.316 4.015 0.910 1.00 0.00 C ATOM 139 C MET A 13 -5.920 4.064 1.532 1.00 0.00 C ATOM 140 O MET A 13 -5.771 3.922 2.744 1.00 0.00 O ATOM 141 CB MET A 13 -8.137 5.210 1.400 1.00 0.00 C ATOM 142 CG MET A 13 -9.031 5.756 0.285 1.00 0.00 C ATOM 143 SD MET A 13 -8.131 6.948 -0.691 1.00 0.00 S ATOM 144 CE MET A 13 -8.104 6.104 -2.264 1.00 0.00 C ATOM 0 H MET A 13 -8.883 2.909 1.752 1.00 0.00 H new ATOM 0 HA MET A 13 -7.211 4.055 -0.174 1.00 0.00 H new ATOM 0 HB2 MET A 13 -8.751 4.910 2.249 1.00 0.00 H new ATOM 0 HB3 MET A 13 -7.468 5.995 1.752 1.00 0.00 H new ATOM 0 HG2 MET A 13 -9.374 4.939 -0.350 1.00 0.00 H new ATOM 0 HG3 MET A 13 -9.919 6.221 0.714 1.00 0.00 H new ATOM 0 HE1 MET A 13 -7.221 6.409 -2.826 1.00 0.00 H new ATOM 0 HE2 MET A 13 -8.074 5.027 -2.099 1.00 0.00 H new ATOM 0 HE3 MET A 13 -9.000 6.360 -2.829 1.00 0.00 H new ATOM 154 N LEU A 14 -4.931 4.267 0.673 1.00 0.00 N ATOM 155 CA LEU A 14 -3.551 4.337 1.124 1.00 0.00 C ATOM 156 C LEU A 14 -2.781 5.322 0.242 1.00 0.00 C ATOM 157 O LEU A 14 -3.108 5.498 -0.930 1.00 0.00 O ATOM 158 CB LEU A 14 -2.931 2.939 1.170 1.00 0.00 C ATOM 159 CG LEU A 14 -2.580 2.407 2.561 1.00 0.00 C ATOM 160 CD1 LEU A 14 -3.820 2.352 3.456 1.00 0.00 C ATOM 161 CD2 LEU A 14 -1.880 1.050 2.468 1.00 0.00 C ATOM 0 H LEU A 14 -5.058 4.385 -0.332 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.502 4.716 2.145 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.623 2.241 0.699 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.024 2.945 0.565 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.878 3.100 3.025 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.543 1.970 4.439 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.238 3.353 3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.564 1.693 3.007 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.641 0.694 3.470 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.538 0.334 1.976 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.961 1.154 1.891 1.00 0.00 H new ATOM 173 N CYS A 15 -1.772 5.939 0.841 1.00 0.00 N ATOM 174 CA CYS A 15 -0.953 6.901 0.125 1.00 0.00 C ATOM 175 C CYS A 15 0.263 6.168 -0.444 1.00 0.00 C ATOM 176 O CYS A 15 1.257 5.971 0.254 1.00 0.00 O ATOM 177 CB CYS A 15 -0.545 8.074 1.020 1.00 0.00 C ATOM 178 SG CYS A 15 -0.703 9.648 0.101 1.00 0.00 S ATOM 0 H CYS A 15 -1.504 5.791 1.814 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.529 7.336 -0.692 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.174 8.099 1.910 1.00 0.00 H new ATOM 0 HB3 CYS A 15 0.483 7.943 1.359 1.00 0.00 H new ATOM 0 HG CYS A 15 -0.356 10.637 0.871 1.00 0.00 H new ATOM 184 N ARG A 16 0.145 5.784 -1.706 1.00 0.00 N ATOM 185 CA ARG A 16 1.223 5.077 -2.377 1.00 0.00 C ATOM 186 C ARG A 16 2.199 6.072 -3.008 1.00 0.00 C ATOM 187 O ARG A 16 1.837 6.805 -3.926 1.00 0.00 O ATOM 188 CB ARG A 16 0.679 4.148 -3.465 1.00 0.00 C ATOM 189 CG ARG A 16 1.818 3.457 -4.216 1.00 0.00 C ATOM 190 CD ARG A 16 1.582 3.494 -5.727 1.00 0.00 C ATOM 191 NE ARG A 16 2.034 4.791 -6.278 1.00 0.00 N ATOM 192 CZ ARG A 16 2.059 5.083 -7.586 1.00 0.00 C ATOM 193 NH1 ARG A 16 1.658 4.173 -8.484 1.00 0.00 N ATOM 194 NH2 ARG A 16 2.486 6.286 -7.995 1.00 0.00 N ATOM 0 H ARG A 16 -0.681 5.949 -2.282 1.00 0.00 H new ATOM 0 HA ARG A 16 1.742 4.478 -1.629 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.028 3.398 -3.016 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.071 4.720 -4.166 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.763 3.946 -3.980 1.00 0.00 H new ATOM 0 HG3 ARG A 16 1.903 2.423 -3.883 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.121 2.678 -6.208 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.524 3.347 -5.942 1.00 0.00 H new ATOM 0 HE ARG A 16 2.346 5.507 -5.622 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.333 3.258 -8.172 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.677 4.396 -9.479 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.792 6.978 -7.311 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.505 6.509 -8.990 1.00 0.00 H new ATOM 208 N LYS A 17 3.418 6.065 -2.489 1.00 0.00 N ATOM 209 CA LYS A 17 4.449 6.958 -2.989 1.00 0.00 C ATOM 210 C LYS A 17 5.668 6.136 -3.413 1.00 0.00 C ATOM 211 O LYS A 17 6.416 5.647 -2.568 1.00 0.00 O ATOM 212 CB LYS A 17 4.767 8.042 -1.957 1.00 0.00 C ATOM 213 CG LYS A 17 5.854 8.988 -2.471 1.00 0.00 C ATOM 214 CD LYS A 17 7.019 9.075 -1.483 1.00 0.00 C ATOM 215 CE LYS A 17 8.144 9.950 -2.037 1.00 0.00 C ATOM 216 NZ LYS A 17 8.790 9.293 -3.195 1.00 0.00 N ATOM 0 H LYS A 17 3.715 5.455 -1.727 1.00 0.00 H new ATOM 0 HA LYS A 17 4.097 7.487 -3.874 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.864 8.609 -1.730 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.094 7.578 -1.026 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.218 8.639 -3.437 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.432 9.980 -2.629 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.667 9.485 -0.536 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.400 8.075 -1.276 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.745 10.919 -2.337 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.884 10.137 -1.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.802 9.157 -2.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.343 8.369 -3.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.680 9.891 -4.039 1.00 0.00 H new ATOM 230 N GLN A 18 5.831 6.010 -4.722 1.00 0.00 N ATOM 231 CA GLN A 18 6.946 5.255 -5.268 1.00 0.00 C ATOM 232 C GLN A 18 8.273 5.845 -4.786 1.00 0.00 C ATOM 233 O GLN A 18 8.379 7.052 -4.576 1.00 0.00 O ATOM 234 CB GLN A 18 6.886 5.217 -6.796 1.00 0.00 C ATOM 235 CG GLN A 18 7.397 3.878 -7.332 1.00 0.00 C ATOM 236 CD GLN A 18 8.879 3.964 -7.702 1.00 0.00 C ATOM 237 OE1 GLN A 18 9.668 4.636 -7.058 1.00 0.00 O ATOM 238 NE2 GLN A 18 9.212 3.250 -8.773 1.00 0.00 N ATOM 0 H GLN A 18 5.210 6.418 -5.420 1.00 0.00 H new ATOM 0 HA GLN A 18 6.875 4.228 -4.909 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.860 5.378 -7.127 1.00 0.00 H new ATOM 0 HB3 GLN A 18 7.485 6.030 -7.207 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.251 3.102 -6.581 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.816 3.587 -8.208 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.502 2.709 -9.266 1.00 0.00 H new ATOM 0 HE22 GLN A 18 10.178 3.243 -9.101 1.00 0.00 H new ATOM 247 N GLU A 19 9.251 4.966 -4.625 1.00 0.00 N ATOM 248 CA GLU A 19 10.566 5.385 -4.171 1.00 0.00 C ATOM 249 C GLU A 19 11.631 4.990 -5.196 1.00 0.00 C ATOM 250 O GLU A 19 12.485 5.801 -5.553 1.00 0.00 O ATOM 251 CB GLU A 19 10.885 4.796 -2.795 1.00 0.00 C ATOM 252 CG GLU A 19 10.260 5.638 -1.681 1.00 0.00 C ATOM 253 CD GLU A 19 11.328 6.439 -0.934 1.00 0.00 C ATOM 254 OE1 GLU A 19 11.871 7.379 -1.554 1.00 0.00 O ATOM 255 OE2 GLU A 19 11.579 6.092 0.241 1.00 0.00 O ATOM 0 H GLU A 19 9.159 3.965 -4.801 1.00 0.00 H new ATOM 0 HA GLU A 19 10.567 6.471 -4.074 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.511 3.774 -2.737 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.965 4.748 -2.657 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.521 6.318 -2.105 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.732 4.989 -0.982 1.00 0.00 H new ATOM 262 N MET A 20 11.547 3.745 -5.641 1.00 0.00 N ATOM 263 CA MET A 20 12.493 3.233 -6.618 1.00 0.00 C ATOM 264 C MET A 20 11.782 2.392 -7.681 1.00 0.00 C ATOM 265 O MET A 20 10.815 1.694 -7.380 1.00 0.00 O ATOM 266 CB MET A 20 13.546 2.379 -5.910 1.00 0.00 C ATOM 267 CG MET A 20 14.173 3.140 -4.740 1.00 0.00 C ATOM 268 SD MET A 20 15.821 2.529 -4.429 1.00 0.00 S ATOM 269 CE MET A 20 16.661 3.153 -5.875 1.00 0.00 C ATOM 0 H MET A 20 10.838 3.075 -5.343 1.00 0.00 H new ATOM 0 HA MET A 20 12.971 4.079 -7.112 1.00 0.00 H new ATOM 0 HB2 MET A 20 13.089 1.459 -5.547 1.00 0.00 H new ATOM 0 HB3 MET A 20 14.322 2.091 -6.619 1.00 0.00 H new ATOM 0 HG2 MET A 20 14.208 4.206 -4.965 1.00 0.00 H new ATOM 0 HG3 MET A 20 13.558 3.023 -3.848 1.00 0.00 H new ATOM 0 HE1 MET A 20 17.692 3.399 -5.619 1.00 0.00 H new ATOM 0 HE2 MET A 20 16.653 2.393 -6.657 1.00 0.00 H new ATOM 0 HE3 MET A 20 16.152 4.048 -6.233 1.00 0.00 H new ATOM 279 N GLU A 21 12.290 2.486 -8.901 1.00 0.00 N ATOM 280 CA GLU A 21 11.716 1.743 -10.009 1.00 0.00 C ATOM 281 C GLU A 21 12.527 0.472 -10.272 1.00 0.00 C ATOM 282 O GLU A 21 12.093 -0.401 -11.023 1.00 0.00 O ATOM 283 CB GLU A 21 11.633 2.610 -11.267 1.00 0.00 C ATOM 284 CG GLU A 21 11.387 1.752 -12.510 1.00 0.00 C ATOM 285 CD GLU A 21 10.710 2.567 -13.613 1.00 0.00 C ATOM 286 OE1 GLU A 21 9.977 3.513 -13.252 1.00 0.00 O ATOM 287 OE2 GLU A 21 10.940 2.225 -14.794 1.00 0.00 O ATOM 0 H GLU A 21 13.093 3.065 -9.146 1.00 0.00 H new ATOM 0 HA GLU A 21 10.700 1.454 -9.739 1.00 0.00 H new ATOM 0 HB2 GLU A 21 10.829 3.338 -11.159 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.559 3.173 -11.387 1.00 0.00 H new ATOM 0 HG2 GLU A 21 12.334 1.355 -12.875 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.763 0.898 -12.249 1.00 0.00 H new ATOM 294 N ALA A 22 13.689 0.408 -9.639 1.00 0.00 N ATOM 295 CA ALA A 22 14.564 -0.741 -9.795 1.00 0.00 C ATOM 296 C ALA A 22 15.860 -0.499 -9.019 1.00 0.00 C ATOM 297 O ALA A 22 16.110 0.611 -8.552 1.00 0.00 O ATOM 298 CB ALA A 22 14.814 -0.995 -11.283 1.00 0.00 C ATOM 0 H ALA A 22 14.045 1.134 -9.017 1.00 0.00 H new ATOM 0 HA ALA A 22 14.097 -1.637 -9.386 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.471 -1.857 -11.400 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.865 -1.191 -11.783 1.00 0.00 H new ATOM 0 HB3 ALA A 22 15.284 -0.118 -11.728 1.00 0.00 H new ATOM 304 N PHE A 23 16.651 -1.556 -8.905 1.00 0.00 N ATOM 305 CA PHE A 23 17.915 -1.473 -8.194 1.00 0.00 C ATOM 306 C PHE A 23 18.708 -0.238 -8.628 1.00 0.00 C ATOM 307 O PHE A 23 19.162 -0.157 -9.769 1.00 0.00 O ATOM 308 CB PHE A 23 18.713 -2.728 -8.550 1.00 0.00 C ATOM 309 CG PHE A 23 17.996 -4.038 -8.214 1.00 0.00 C ATOM 310 CD1 PHE A 23 17.645 -4.310 -6.929 1.00 0.00 C ATOM 311 CD2 PHE A 23 17.710 -4.929 -9.201 1.00 0.00 C ATOM 312 CE1 PHE A 23 16.979 -5.525 -6.617 1.00 0.00 C ATOM 313 CE2 PHE A 23 17.045 -6.144 -8.889 1.00 0.00 C ATOM 314 CZ PHE A 23 16.693 -6.416 -7.603 1.00 0.00 C ATOM 0 H PHE A 23 16.440 -2.475 -9.294 1.00 0.00 H new ATOM 0 HA PHE A 23 17.734 -1.397 -7.122 1.00 0.00 H new ATOM 0 HB2 PHE A 23 18.938 -2.712 -9.616 1.00 0.00 H new ATOM 0 HB3 PHE A 23 19.666 -2.702 -8.022 1.00 0.00 H new ATOM 0 HD1 PHE A 23 17.873 -3.602 -6.146 1.00 0.00 H new ATOM 0 HD2 PHE A 23 17.989 -4.712 -10.222 1.00 0.00 H new ATOM 0 HE1 PHE A 23 16.700 -5.741 -5.596 1.00 0.00 H new ATOM 0 HE2 PHE A 23 16.819 -6.852 -9.672 1.00 0.00 H new ATOM 0 HZ PHE A 23 16.186 -7.340 -7.366 1.00 0.00 H new ATOM 324 N GLY A 24 18.850 0.692 -7.696 1.00 0.00 N ATOM 325 CA GLY A 24 19.581 1.919 -7.968 1.00 0.00 C ATOM 326 C GLY A 24 18.849 2.774 -9.005 1.00 0.00 C ATOM 327 O GLY A 24 19.477 3.530 -9.745 1.00 0.00 O ATOM 0 H GLY A 24 18.472 0.621 -6.751 1.00 0.00 H new ATOM 0 HA2 GLY A 24 19.704 2.486 -7.045 1.00 0.00 H new ATOM 0 HA3 GLY A 24 20.581 1.679 -8.330 1.00 0.00 H new ATOM 331 N LYS A 25 17.533 2.624 -9.026 1.00 0.00 N ATOM 332 CA LYS A 25 16.710 3.374 -9.960 1.00 0.00 C ATOM 333 C LYS A 25 15.580 4.066 -9.195 1.00 0.00 C ATOM 334 O LYS A 25 14.904 3.442 -8.378 1.00 0.00 O ATOM 335 CB LYS A 25 16.221 2.466 -11.090 1.00 0.00 C ATOM 336 CG LYS A 25 16.583 3.050 -12.457 1.00 0.00 C ATOM 337 CD LYS A 25 15.336 3.559 -13.184 1.00 0.00 C ATOM 338 CE LYS A 25 14.631 4.644 -12.368 1.00 0.00 C ATOM 339 NZ LYS A 25 13.300 4.942 -12.943 1.00 0.00 N ATOM 0 H LYS A 25 17.016 1.995 -8.412 1.00 0.00 H new ATOM 0 HA LYS A 25 17.296 4.157 -10.441 1.00 0.00 H new ATOM 0 HB2 LYS A 25 16.665 1.476 -10.984 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.141 2.340 -11.019 1.00 0.00 H new ATOM 0 HG2 LYS A 25 17.293 3.867 -12.331 1.00 0.00 H new ATOM 0 HG3 LYS A 25 17.076 2.289 -13.062 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.616 3.957 -14.159 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.651 2.730 -13.363 1.00 0.00 H new ATOM 0 HE2 LYS A 25 14.522 4.317 -11.334 1.00 0.00 H new ATOM 0 HE3 LYS A 25 15.238 5.549 -12.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.749 5.508 -12.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.416 5.476 -13.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.799 4.052 -13.138 1.00 0.00 H new ATOM 353 N LYS A 26 15.409 5.347 -9.487 1.00 0.00 N ATOM 354 CA LYS A 26 14.373 6.131 -8.837 1.00 0.00 C ATOM 355 C LYS A 26 13.241 6.396 -9.831 1.00 0.00 C ATOM 356 O LYS A 26 13.482 6.539 -11.029 1.00 0.00 O ATOM 357 CB LYS A 26 14.966 7.403 -8.227 1.00 0.00 C ATOM 358 CG LYS A 26 15.249 8.449 -9.308 1.00 0.00 C ATOM 359 CD LYS A 26 15.687 9.776 -8.685 1.00 0.00 C ATOM 360 CE LYS A 26 16.801 10.426 -9.508 1.00 0.00 C ATOM 361 NZ LYS A 26 17.093 11.786 -9.002 1.00 0.00 N ATOM 0 H LYS A 26 15.971 5.862 -10.165 1.00 0.00 H new ATOM 0 HA LYS A 26 13.943 5.576 -8.003 1.00 0.00 H new ATOM 0 HB2 LYS A 26 14.275 7.814 -7.490 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.889 7.162 -7.699 1.00 0.00 H new ATOM 0 HG2 LYS A 26 16.027 8.083 -9.978 1.00 0.00 H new ATOM 0 HG3 LYS A 26 14.355 8.604 -9.912 1.00 0.00 H new ATOM 0 HD2 LYS A 26 14.834 10.452 -8.623 1.00 0.00 H new ATOM 0 HD3 LYS A 26 16.034 9.606 -7.666 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.701 9.813 -9.461 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.505 10.477 -10.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 17.851 12.213 -9.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 16.237 12.373 -9.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.396 11.729 -8.009 1.00 0.00 H new ATOM 375 N ALA A 27 12.029 6.454 -9.298 1.00 0.00 N ATOM 376 CA ALA A 27 10.859 6.699 -10.124 1.00 0.00 C ATOM 377 C ALA A 27 10.887 8.145 -10.624 1.00 0.00 C ATOM 378 O ALA A 27 11.020 9.077 -9.833 1.00 0.00 O ATOM 379 CB ALA A 27 9.594 6.384 -9.323 1.00 0.00 C ATOM 0 H ALA A 27 11.832 6.335 -8.304 1.00 0.00 H new ATOM 0 HA ALA A 27 10.863 6.048 -10.998 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.716 6.568 -9.942 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.609 5.338 -9.016 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.555 7.021 -8.440 1.00 0.00 H new ATOM 385 N ALA A 28 10.760 8.286 -11.935 1.00 0.00 N ATOM 386 CA ALA A 28 10.770 9.602 -12.551 1.00 0.00 C ATOM 387 C ALA A 28 9.947 10.567 -11.694 1.00 0.00 C ATOM 388 O ALA A 28 10.505 11.384 -10.963 1.00 0.00 O ATOM 389 CB ALA A 28 10.242 9.500 -13.983 1.00 0.00 C ATOM 0 H ALA A 28 10.650 7.510 -12.588 1.00 0.00 H new ATOM 0 HA ALA A 28 11.786 9.993 -12.605 1.00 0.00 H new ATOM 0 HB1 ALA A 28 10.250 10.487 -14.445 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.877 8.826 -14.558 1.00 0.00 H new ATOM 0 HB3 ALA A 28 9.223 9.114 -13.968 1.00 0.00 H new ATOM 395 N ASN A 29 8.634 10.440 -11.812 1.00 0.00 N ATOM 396 CA ASN A 29 7.729 11.291 -11.057 1.00 0.00 C ATOM 397 C ASN A 29 7.020 10.454 -9.991 1.00 0.00 C ATOM 398 O ASN A 29 6.012 9.807 -10.273 1.00 0.00 O ATOM 399 CB ASN A 29 6.661 11.902 -11.966 1.00 0.00 C ATOM 400 CG ASN A 29 5.862 12.978 -11.227 1.00 0.00 C ATOM 401 OD1 ASN A 29 6.391 13.982 -10.779 1.00 0.00 O ATOM 402 ND2 ASN A 29 4.563 12.713 -11.125 1.00 0.00 N ATOM 0 H ASN A 29 8.175 9.761 -12.419 1.00 0.00 H new ATOM 0 HA ASN A 29 8.316 12.089 -10.603 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.133 12.336 -12.847 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.987 11.121 -12.317 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.944 13.370 -10.649 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.185 11.853 -11.523 1.00 0.00 H new ATOM 409 N ARG A 30 7.574 10.493 -8.788 1.00 0.00 N ATOM 410 CA ARG A 30 7.007 9.746 -7.678 1.00 0.00 C ATOM 411 C ARG A 30 6.667 10.689 -6.522 1.00 0.00 C ATOM 412 O ARG A 30 7.530 11.018 -5.710 1.00 0.00 O ATOM 413 CB ARG A 30 7.978 8.673 -7.183 1.00 0.00 C ATOM 414 CG ARG A 30 9.392 9.240 -7.034 1.00 0.00 C ATOM 415 CD ARG A 30 10.385 8.142 -6.647 1.00 0.00 C ATOM 416 NE ARG A 30 11.234 8.600 -5.524 1.00 0.00 N ATOM 417 CZ ARG A 30 12.312 9.382 -5.668 1.00 0.00 C ATOM 418 NH1 ARG A 30 12.680 9.798 -6.888 1.00 0.00 N ATOM 419 NH2 ARG A 30 13.023 9.748 -4.593 1.00 0.00 N ATOM 0 H ARG A 30 8.410 11.030 -8.558 1.00 0.00 H new ATOM 0 HA ARG A 30 6.099 9.261 -8.035 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.636 8.282 -6.225 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.989 7.837 -7.882 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.703 9.703 -7.971 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.396 10.023 -6.275 1.00 0.00 H new ATOM 0 HD2 ARG A 30 9.847 7.238 -6.362 1.00 0.00 H new ATOM 0 HD3 ARG A 30 11.008 7.885 -7.504 1.00 0.00 H new ATOM 0 HE ARG A 30 10.982 8.301 -4.582 1.00 0.00 H new ATOM 0 HH11 ARG A 30 12.139 9.519 -7.707 1.00 0.00 H new ATOM 0 HH12 ARG A 30 13.501 10.393 -6.998 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.743 9.431 -3.665 1.00 0.00 H new ATOM 0 HH22 ARG A 30 13.844 10.343 -4.703 1.00 0.00 H new ATOM 433 N SER A 31 5.407 11.098 -6.485 1.00 0.00 N ATOM 434 CA SER A 31 4.943 11.997 -5.442 1.00 0.00 C ATOM 435 C SER A 31 3.831 11.328 -4.631 1.00 0.00 C ATOM 436 O SER A 31 3.267 10.321 -5.057 1.00 0.00 O ATOM 437 CB SER A 31 4.447 13.318 -6.034 1.00 0.00 C ATOM 438 OG SER A 31 5.456 13.973 -6.798 1.00 0.00 O ATOM 0 H SER A 31 4.694 10.823 -7.160 1.00 0.00 H new ATOM 0 HA SER A 31 5.782 12.218 -4.783 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.579 13.129 -6.666 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.118 13.975 -5.229 1.00 0.00 H new ATOM 0 HG SER A 31 5.100 14.811 -7.160 1.00 0.00 H new ATOM 444 N TRP A 32 3.548 11.915 -3.478 1.00 0.00 N ATOM 445 CA TRP A 32 2.514 11.388 -2.604 1.00 0.00 C ATOM 446 C TRP A 32 1.163 11.590 -3.294 1.00 0.00 C ATOM 447 O TRP A 32 0.776 12.720 -3.588 1.00 0.00 O ATOM 448 CB TRP A 32 2.581 12.038 -1.220 1.00 0.00 C ATOM 449 CG TRP A 32 3.734 11.533 -0.351 1.00 0.00 C ATOM 450 CD1 TRP A 32 4.904 12.137 -0.099 1.00 0.00 C ATOM 451 CD2 TRP A 32 3.782 10.287 0.375 1.00 0.00 C ATOM 452 NE1 TRP A 32 5.698 11.375 0.734 1.00 0.00 N ATOM 453 CE2 TRP A 32 4.994 10.214 1.031 1.00 0.00 C ATOM 454 CE3 TRP A 32 2.832 9.255 0.475 1.00 0.00 C ATOM 455 CZ2 TRP A 32 5.368 9.129 1.832 1.00 0.00 C ATOM 456 CZ3 TRP A 32 3.221 8.177 1.280 1.00 0.00 C ATOM 457 CH2 TRP A 32 4.438 8.089 1.946 1.00 0.00 C ATOM 0 H TRP A 32 4.017 12.751 -3.128 1.00 0.00 H new ATOM 0 HA TRP A 32 2.662 10.322 -2.432 1.00 0.00 H new ATOM 0 HB2 TRP A 32 2.676 13.117 -1.341 1.00 0.00 H new ATOM 0 HB3 TRP A 32 1.641 11.857 -0.699 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.189 13.099 -0.498 1.00 0.00 H new ATOM 0 HE1 TRP A 32 6.630 11.619 1.070 1.00 0.00 H new ATOM 0 HE3 TRP A 32 1.878 9.291 -0.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 6.323 9.096 2.335 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 2.527 7.357 1.391 1.00 0.00 H new ATOM 0 HH2 TRP A 32 4.665 7.222 2.549 1.00 0.00 H new ATOM 468 N GLN A 33 0.484 10.478 -3.533 1.00 0.00 N ATOM 469 CA GLN A 33 -0.814 10.519 -4.183 1.00 0.00 C ATOM 470 C GLN A 33 -1.745 9.467 -3.576 1.00 0.00 C ATOM 471 O GLN A 33 -1.366 8.306 -3.431 1.00 0.00 O ATOM 472 CB GLN A 33 -0.678 10.323 -5.694 1.00 0.00 C ATOM 473 CG GLN A 33 -0.230 11.617 -6.377 1.00 0.00 C ATOM 474 CD GLN A 33 0.540 11.319 -7.665 1.00 0.00 C ATOM 475 OE1 GLN A 33 1.405 10.460 -7.718 1.00 0.00 O ATOM 476 NE2 GLN A 33 0.178 12.075 -8.698 1.00 0.00 N ATOM 0 H GLN A 33 0.809 9.543 -3.288 1.00 0.00 H new ATOM 0 HA GLN A 33 -1.251 11.504 -4.016 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.043 9.531 -5.898 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.632 10.000 -6.110 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.100 12.233 -6.604 1.00 0.00 H new ATOM 0 HG3 GLN A 33 0.399 12.192 -5.698 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.554 12.776 -8.585 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.632 11.953 -9.603 1.00 0.00 H new ATOM 485 N ASN A 34 -2.947 9.912 -3.237 1.00 0.00 N ATOM 486 CA ASN A 34 -3.935 9.024 -2.649 1.00 0.00 C ATOM 487 C ASN A 34 -4.317 7.947 -3.667 1.00 0.00 C ATOM 488 O ASN A 34 -5.073 8.211 -4.600 1.00 0.00 O ATOM 489 CB ASN A 34 -5.205 9.788 -2.269 1.00 0.00 C ATOM 490 CG ASN A 34 -4.949 10.724 -1.087 1.00 0.00 C ATOM 491 OD1 ASN A 34 -4.882 11.935 -1.224 1.00 0.00 O ATOM 492 ND2 ASN A 34 -4.810 10.099 0.079 1.00 0.00 N ATOM 0 H ASN A 34 -3.258 10.876 -3.359 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.500 8.581 -1.754 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.556 10.365 -3.125 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.996 9.082 -2.014 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -4.636 10.637 0.928 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -4.877 9.082 0.124 1.00 0.00 H new ATOM 499 N VAL A 35 -3.777 6.757 -3.452 1.00 0.00 N ATOM 500 CA VAL A 35 -4.052 5.639 -4.339 1.00 0.00 C ATOM 501 C VAL A 35 -4.611 4.472 -3.523 1.00 0.00 C ATOM 502 O VAL A 35 -3.971 4.004 -2.582 1.00 0.00 O ATOM 503 CB VAL A 35 -2.791 5.271 -5.123 1.00 0.00 C ATOM 504 CG1 VAL A 35 -3.083 4.172 -6.147 1.00 0.00 C ATOM 505 CG2 VAL A 35 -2.186 6.503 -5.799 1.00 0.00 C ATOM 0 H VAL A 35 -3.150 6.542 -2.677 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.808 5.912 -5.075 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.058 4.884 -4.415 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.170 3.929 -6.691 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.446 3.282 -5.632 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.841 4.520 -6.848 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.291 6.213 -6.349 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.912 6.933 -6.488 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.923 7.241 -5.042 1.00 0.00 H new ATOM 515 N TYR A 36 -5.799 4.034 -3.913 1.00 0.00 N ATOM 516 CA TYR A 36 -6.451 2.930 -3.230 1.00 0.00 C ATOM 517 C TYR A 36 -5.758 1.603 -3.546 1.00 0.00 C ATOM 518 O TYR A 36 -5.823 1.117 -4.674 1.00 0.00 O ATOM 519 CB TYR A 36 -7.882 2.885 -3.771 1.00 0.00 C ATOM 520 CG TYR A 36 -8.807 1.936 -3.007 1.00 0.00 C ATOM 521 CD1 TYR A 36 -9.288 2.294 -1.764 1.00 0.00 C ATOM 522 CD2 TYR A 36 -9.160 0.722 -3.560 1.00 0.00 C ATOM 523 CE1 TYR A 36 -10.158 1.401 -1.044 1.00 0.00 C ATOM 524 CE2 TYR A 36 -10.031 -0.171 -2.841 1.00 0.00 C ATOM 525 CZ TYR A 36 -10.487 0.213 -1.618 1.00 0.00 C ATOM 526 OH TYR A 36 -11.309 -0.631 -0.938 1.00 0.00 O ATOM 0 H TYR A 36 -6.327 4.424 -4.694 1.00 0.00 H new ATOM 0 HA TYR A 36 -6.416 3.073 -2.150 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.303 3.890 -3.739 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.854 2.584 -4.818 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.012 3.244 -1.331 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -8.783 0.442 -4.532 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -10.541 1.669 -0.070 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -10.316 -1.124 -3.263 1.00 0.00 H new ATOM 0 HH TYR A 36 -11.458 -1.441 -1.469 1.00 0.00 H new ATOM 536 N CYS A 37 -5.109 1.055 -2.529 1.00 0.00 N ATOM 537 CA CYS A 37 -4.404 -0.206 -2.684 1.00 0.00 C ATOM 538 C CYS A 37 -5.439 -1.330 -2.752 1.00 0.00 C ATOM 539 O CYS A 37 -6.353 -1.388 -1.930 1.00 0.00 O ATOM 540 CB CYS A 37 -3.391 -0.430 -1.559 1.00 0.00 C ATOM 541 SG CYS A 37 -1.688 -0.349 -2.225 1.00 0.00 S ATOM 0 H CYS A 37 -5.057 1.461 -1.595 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.825 -0.190 -3.607 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.523 0.325 -0.784 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.562 -1.400 -1.092 1.00 0.00 H new ATOM 0 HG CYS A 37 -1.007 0.543 -1.568 1.00 0.00 H new ATOM 547 N VAL A 38 -5.262 -2.196 -3.739 1.00 0.00 N ATOM 548 CA VAL A 38 -6.169 -3.315 -3.925 1.00 0.00 C ATOM 549 C VAL A 38 -5.359 -4.604 -4.079 1.00 0.00 C ATOM 550 O VAL A 38 -4.749 -4.837 -5.122 1.00 0.00 O ATOM 551 CB VAL A 38 -7.096 -3.046 -5.113 1.00 0.00 C ATOM 552 CG1 VAL A 38 -7.879 -4.304 -5.493 1.00 0.00 C ATOM 553 CG2 VAL A 38 -8.041 -1.880 -4.818 1.00 0.00 C ATOM 0 H VAL A 38 -4.503 -2.145 -4.419 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.809 -3.436 -3.051 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.476 -2.767 -5.965 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.530 -4.086 -6.340 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.183 -5.097 -5.766 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.483 -4.627 -4.645 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.689 -1.710 -5.678 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.651 -2.117 -3.946 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.458 -0.981 -4.619 1.00 0.00 H new ATOM 563 N LEU A 39 -5.378 -5.407 -3.025 1.00 0.00 N ATOM 564 CA LEU A 39 -4.653 -6.666 -3.031 1.00 0.00 C ATOM 565 C LEU A 39 -5.625 -7.809 -3.329 1.00 0.00 C ATOM 566 O LEU A 39 -6.749 -7.819 -2.829 1.00 0.00 O ATOM 567 CB LEU A 39 -3.878 -6.843 -1.723 1.00 0.00 C ATOM 568 CG LEU A 39 -2.964 -8.067 -1.646 1.00 0.00 C ATOM 569 CD1 LEU A 39 -1.493 -7.650 -1.573 1.00 0.00 C ATOM 570 CD2 LEU A 39 -3.360 -8.975 -0.480 1.00 0.00 C ATOM 0 H LEU A 39 -5.884 -5.210 -2.162 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.904 -6.670 -3.823 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.273 -5.951 -1.559 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.595 -6.897 -0.904 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.090 -8.645 -2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.865 -8.539 -1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.233 -7.076 -2.462 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.332 -7.038 -0.686 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.694 -9.838 -0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.281 -8.421 0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.387 -9.314 -0.615 1.00 0.00 H new ATOM 582 N ARG A 40 -5.157 -8.745 -4.142 1.00 0.00 N ATOM 583 CA ARG A 40 -5.971 -9.890 -4.512 1.00 0.00 C ATOM 584 C ARG A 40 -5.211 -10.786 -5.492 1.00 0.00 C ATOM 585 O ARG A 40 -4.561 -10.295 -6.413 1.00 0.00 O ATOM 586 CB ARG A 40 -7.287 -9.445 -5.154 1.00 0.00 C ATOM 587 CG ARG A 40 -8.467 -10.238 -4.590 1.00 0.00 C ATOM 588 CD ARG A 40 -9.694 -9.341 -4.409 1.00 0.00 C ATOM 589 NE ARG A 40 -10.870 -10.160 -4.040 1.00 0.00 N ATOM 590 CZ ARG A 40 -11.941 -9.686 -3.389 1.00 0.00 C ATOM 591 NH1 ARG A 40 -11.991 -8.396 -3.031 1.00 0.00 N ATOM 592 NH2 ARG A 40 -12.962 -10.502 -3.096 1.00 0.00 N ATOM 0 H ARG A 40 -4.224 -8.734 -4.555 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.194 -10.447 -3.602 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.441 -8.381 -4.976 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.234 -9.583 -6.234 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.710 -11.062 -5.261 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.189 -10.678 -3.632 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.501 -8.598 -3.635 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.895 -8.796 -5.331 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.865 -11.147 -4.297 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.214 -7.774 -3.254 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.806 -8.035 -2.535 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.924 -11.484 -3.368 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.777 -10.141 -2.600 1.00 0.00 H new ATOM 606 N ARG A 41 -5.317 -12.086 -5.259 1.00 0.00 N ATOM 607 CA ARG A 41 -4.648 -13.056 -6.109 1.00 0.00 C ATOM 608 C ARG A 41 -3.131 -12.956 -5.937 1.00 0.00 C ATOM 609 O ARG A 41 -2.376 -13.589 -6.673 1.00 0.00 O ATOM 610 CB ARG A 41 -5.004 -12.836 -7.581 1.00 0.00 C ATOM 611 CG ARG A 41 -5.525 -14.126 -8.217 1.00 0.00 C ATOM 612 CD ARG A 41 -5.536 -14.019 -9.744 1.00 0.00 C ATOM 613 NE ARG A 41 -6.273 -15.163 -10.326 1.00 0.00 N ATOM 614 CZ ARG A 41 -6.705 -15.211 -11.594 1.00 0.00 C ATOM 615 NH1 ARG A 41 -6.477 -14.180 -12.419 1.00 0.00 N ATOM 616 NH2 ARG A 41 -7.365 -16.289 -12.036 1.00 0.00 N ATOM 0 H ARG A 41 -5.856 -12.490 -4.493 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.986 -14.048 -5.810 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.760 -12.055 -7.663 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.125 -12.488 -8.123 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.899 -14.965 -7.912 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.533 -14.333 -7.856 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -6.003 -13.082 -10.048 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.514 -14.003 -10.123 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.464 -15.965 -9.725 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.975 -13.359 -12.082 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.806 -14.217 -13.384 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.539 -17.074 -11.408 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.694 -16.326 -13.001 1.00 0.00 H new ATOM 630 N GLY A 42 -2.730 -12.155 -4.960 1.00 0.00 N ATOM 631 CA GLY A 42 -1.317 -11.964 -4.682 1.00 0.00 C ATOM 632 C GLY A 42 -0.740 -10.829 -5.531 1.00 0.00 C ATOM 633 O GLY A 42 0.450 -10.825 -5.843 1.00 0.00 O ATOM 0 H GLY A 42 -3.359 -11.631 -4.352 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.178 -11.739 -3.625 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.775 -12.887 -4.886 1.00 0.00 H new ATOM 637 N SER A 43 -1.611 -9.893 -5.881 1.00 0.00 N ATOM 638 CA SER A 43 -1.203 -8.755 -6.687 1.00 0.00 C ATOM 639 C SER A 43 -1.773 -7.464 -6.096 1.00 0.00 C ATOM 640 O SER A 43 -2.948 -7.407 -5.736 1.00 0.00 O ATOM 641 CB SER A 43 -1.655 -8.919 -8.139 1.00 0.00 C ATOM 642 OG SER A 43 -3.034 -9.267 -8.234 1.00 0.00 O ATOM 0 H SER A 43 -2.597 -9.900 -5.621 1.00 0.00 H new ATOM 0 HA SER A 43 -0.114 -8.701 -6.677 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.478 -7.990 -8.681 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.053 -9.689 -8.621 1.00 0.00 H new ATOM 0 HG SER A 43 -3.418 -9.330 -7.335 1.00 0.00 H new ATOM 648 N LEU A 44 -0.914 -6.458 -6.015 1.00 0.00 N ATOM 649 CA LEU A 44 -1.317 -5.172 -5.474 1.00 0.00 C ATOM 650 C LEU A 44 -1.688 -4.234 -6.625 1.00 0.00 C ATOM 651 O LEU A 44 -0.828 -3.836 -7.409 1.00 0.00 O ATOM 652 CB LEU A 44 -0.231 -4.614 -4.552 1.00 0.00 C ATOM 653 CG LEU A 44 -0.578 -3.319 -3.814 1.00 0.00 C ATOM 654 CD1 LEU A 44 -1.871 -3.475 -3.012 1.00 0.00 C ATOM 655 CD2 LEU A 44 0.589 -2.858 -2.938 1.00 0.00 C ATOM 0 H LEU A 44 0.060 -6.508 -6.315 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.205 -5.282 -4.852 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.016 -5.375 -3.812 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.668 -4.442 -5.144 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.752 -2.539 -4.555 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.095 -2.541 -2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.690 -3.723 -3.687 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.751 -4.273 -2.279 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.316 -1.936 -2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.818 -3.629 -2.202 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.465 -2.680 -3.562 1.00 0.00 H new ATOM 667 N GLY A 45 -2.971 -3.906 -6.689 1.00 0.00 N ATOM 668 CA GLY A 45 -3.466 -3.022 -7.730 1.00 0.00 C ATOM 669 C GLY A 45 -3.716 -1.616 -7.183 1.00 0.00 C ATOM 670 O GLY A 45 -4.159 -1.458 -6.046 1.00 0.00 O ATOM 0 H GLY A 45 -3.682 -4.237 -6.037 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.745 -2.976 -8.546 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.390 -3.424 -8.144 1.00 0.00 H new ATOM 674 N PHE A 46 -3.420 -0.630 -8.017 1.00 0.00 N ATOM 675 CA PHE A 46 -3.606 0.759 -7.630 1.00 0.00 C ATOM 676 C PHE A 46 -4.841 1.355 -8.308 1.00 0.00 C ATOM 677 O PHE A 46 -5.100 1.088 -9.481 1.00 0.00 O ATOM 678 CB PHE A 46 -2.365 1.523 -8.094 1.00 0.00 C ATOM 679 CG PHE A 46 -1.053 0.991 -7.513 1.00 0.00 C ATOM 680 CD1 PHE A 46 -0.900 0.884 -6.166 1.00 0.00 C ATOM 681 CD2 PHE A 46 -0.041 0.625 -8.344 1.00 0.00 C ATOM 682 CE1 PHE A 46 0.317 0.391 -5.626 1.00 0.00 C ATOM 683 CE2 PHE A 46 1.177 0.131 -7.804 1.00 0.00 C ATOM 684 CZ PHE A 46 1.330 0.025 -6.457 1.00 0.00 C ATOM 0 H PHE A 46 -3.053 -0.765 -8.959 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.747 0.830 -6.551 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.312 1.482 -9.182 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.473 2.572 -7.819 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.705 1.174 -5.507 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.163 0.710 -9.414 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.438 0.307 -4.556 1.00 0.00 H new ATOM 0 HE2 PHE A 46 1.981 -0.160 -8.463 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.256 -0.350 -6.047 1.00 0.00 H new ATOM 694 N TYR A 47 -5.571 2.152 -7.542 1.00 0.00 N ATOM 695 CA TYR A 47 -6.772 2.789 -8.054 1.00 0.00 C ATOM 696 C TYR A 47 -6.996 4.151 -7.393 1.00 0.00 C ATOM 697 O TYR A 47 -6.337 4.482 -6.408 1.00 0.00 O ATOM 698 CB TYR A 47 -7.931 1.860 -7.686 1.00 0.00 C ATOM 699 CG TYR A 47 -7.823 0.460 -8.292 1.00 0.00 C ATOM 700 CD1 TYR A 47 -6.944 -0.459 -7.755 1.00 0.00 C ATOM 701 CD2 TYR A 47 -8.605 0.115 -9.376 1.00 0.00 C ATOM 702 CE1 TYR A 47 -6.843 -1.777 -8.326 1.00 0.00 C ATOM 703 CE2 TYR A 47 -8.504 -1.203 -9.947 1.00 0.00 C ATOM 704 CZ TYR A 47 -7.627 -2.084 -9.394 1.00 0.00 C ATOM 705 OH TYR A 47 -7.531 -3.329 -9.933 1.00 0.00 O ATOM 0 H TYR A 47 -5.354 2.371 -6.570 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.691 2.952 -9.129 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -7.982 1.772 -6.601 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.866 2.315 -8.013 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.332 -0.190 -6.907 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.293 0.834 -9.796 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.160 -2.506 -7.915 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.110 -1.486 -10.795 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.150 -3.407 -10.689 1.00 0.00 H new ATOM 715 N LYS A 48 -7.927 4.903 -7.961 1.00 0.00 N ATOM 716 CA LYS A 48 -8.246 6.221 -7.439 1.00 0.00 C ATOM 717 C LYS A 48 -8.838 6.079 -6.035 1.00 0.00 C ATOM 718 O LYS A 48 -8.301 6.627 -5.073 1.00 0.00 O ATOM 719 CB LYS A 48 -9.149 6.979 -8.414 1.00 0.00 C ATOM 720 CG LYS A 48 -9.440 8.393 -7.905 1.00 0.00 C ATOM 721 CD LYS A 48 -9.459 9.397 -9.059 1.00 0.00 C ATOM 722 CE LYS A 48 -10.893 9.803 -9.408 1.00 0.00 C ATOM 723 NZ LYS A 48 -11.365 10.871 -8.499 1.00 0.00 N ATOM 0 H LYS A 48 -8.471 4.625 -8.778 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.342 6.823 -7.345 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.671 7.032 -9.392 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.085 6.436 -8.546 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.400 8.408 -7.390 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.683 8.684 -7.177 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.883 10.281 -8.786 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.978 8.960 -9.934 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.938 10.150 -10.440 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.551 8.937 -9.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.339 11.135 -8.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.341 10.527 -7.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.747 11.703 -8.590 1.00 0.00 H new ATOM 737 N ASP A 49 -9.936 5.342 -5.963 1.00 0.00 N ATOM 738 CA ASP A 49 -10.607 5.122 -4.693 1.00 0.00 C ATOM 739 C ASP A 49 -11.313 3.765 -4.722 1.00 0.00 C ATOM 740 O ASP A 49 -11.229 3.039 -5.712 1.00 0.00 O ATOM 741 CB ASP A 49 -11.663 6.199 -4.434 1.00 0.00 C ATOM 742 CG ASP A 49 -12.115 6.973 -5.673 1.00 0.00 C ATOM 743 OD1 ASP A 49 -12.569 6.303 -6.626 1.00 0.00 O ATOM 744 OD2 ASP A 49 -11.997 8.217 -5.640 1.00 0.00 O ATOM 0 H ASP A 49 -10.378 4.890 -6.763 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.855 5.157 -3.904 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.535 5.729 -3.979 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.267 6.907 -3.706 1.00 0.00 H new ATOM 749 N ALA A 50 -11.993 3.463 -3.626 1.00 0.00 N ATOM 750 CA ALA A 50 -12.713 2.206 -3.514 1.00 0.00 C ATOM 751 C ALA A 50 -13.821 2.162 -4.568 1.00 0.00 C ATOM 752 O ALA A 50 -14.360 1.097 -4.863 1.00 0.00 O ATOM 753 CB ALA A 50 -13.255 2.053 -2.091 1.00 0.00 C ATOM 0 H ALA A 50 -12.061 4.067 -2.807 1.00 0.00 H new ATOM 0 HA ALA A 50 -12.047 1.364 -3.701 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -13.795 1.110 -2.007 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -12.426 2.061 -1.383 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -13.930 2.879 -1.868 1.00 0.00 H new ATOM 759 N LYS A 51 -14.129 3.333 -5.106 1.00 0.00 N ATOM 760 CA LYS A 51 -15.163 3.442 -6.121 1.00 0.00 C ATOM 761 C LYS A 51 -14.545 3.205 -7.500 1.00 0.00 C ATOM 762 O LYS A 51 -15.254 2.907 -8.459 1.00 0.00 O ATOM 763 CB LYS A 51 -15.897 4.779 -5.997 1.00 0.00 C ATOM 764 CG LYS A 51 -16.676 4.857 -4.682 1.00 0.00 C ATOM 765 CD LYS A 51 -18.088 4.293 -4.848 1.00 0.00 C ATOM 766 CE LYS A 51 -18.481 3.436 -3.643 1.00 0.00 C ATOM 767 NZ LYS A 51 -19.862 2.928 -3.796 1.00 0.00 N ATOM 0 H LYS A 51 -13.680 4.215 -4.858 1.00 0.00 H new ATOM 0 HA LYS A 51 -15.922 2.674 -5.975 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -15.179 5.598 -6.048 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -16.581 4.902 -6.837 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -16.147 4.301 -3.908 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -16.731 5.893 -4.349 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -18.799 5.111 -4.964 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -18.140 3.694 -5.757 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -17.789 2.600 -3.543 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -18.403 4.025 -2.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -20.112 2.348 -2.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -20.521 3.730 -3.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -19.925 2.348 -4.657 1.00 0.00 H new ATOM 781 N ALA A 52 -13.228 3.347 -7.556 1.00 0.00 N ATOM 782 CA ALA A 52 -12.507 3.153 -8.802 1.00 0.00 C ATOM 783 C ALA A 52 -11.982 1.717 -8.863 1.00 0.00 C ATOM 784 O ALA A 52 -11.593 1.239 -9.928 1.00 0.00 O ATOM 785 CB ALA A 52 -11.386 4.189 -8.910 1.00 0.00 C ATOM 0 H ALA A 52 -12.642 3.594 -6.758 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.169 3.299 -9.656 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.845 4.043 -9.845 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.814 5.191 -8.891 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.700 4.071 -8.071 1.00 0.00 H new ATOM 791 N ALA A 53 -11.987 1.069 -7.707 1.00 0.00 N ATOM 792 CA ALA A 53 -11.516 -0.303 -7.616 1.00 0.00 C ATOM 793 C ALA A 53 -12.645 -1.253 -8.022 1.00 0.00 C ATOM 794 O ALA A 53 -12.432 -2.176 -8.806 1.00 0.00 O ATOM 795 CB ALA A 53 -11.006 -0.574 -6.200 1.00 0.00 C ATOM 0 H ALA A 53 -12.310 1.469 -6.826 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.684 -0.470 -8.300 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.653 -1.603 -6.131 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.186 0.107 -5.972 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.815 -0.420 -5.486 1.00 0.00 H new ATOM 801 N SER A 54 -13.821 -0.994 -7.469 1.00 0.00 N ATOM 802 CA SER A 54 -14.983 -1.814 -7.763 1.00 0.00 C ATOM 803 C SER A 54 -15.405 -1.620 -9.221 1.00 0.00 C ATOM 804 O SER A 54 -15.783 -2.578 -9.894 1.00 0.00 O ATOM 805 CB SER A 54 -16.145 -1.481 -6.825 1.00 0.00 C ATOM 806 OG SER A 54 -17.372 -2.051 -7.271 1.00 0.00 O ATOM 0 H SER A 54 -13.994 -0.227 -6.819 1.00 0.00 H new ATOM 0 HA SER A 54 -14.713 -2.858 -7.605 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.918 -1.847 -5.823 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.253 -0.399 -6.752 1.00 0.00 H new ATOM 0 HG SER A 54 -18.088 -1.817 -6.645 1.00 0.00 H new ATOM 812 N ALA A 55 -15.328 -0.374 -9.665 1.00 0.00 N ATOM 813 CA ALA A 55 -15.697 -0.042 -11.030 1.00 0.00 C ATOM 814 C ALA A 55 -14.626 -0.572 -11.987 1.00 0.00 C ATOM 815 O ALA A 55 -14.824 -0.582 -13.201 1.00 0.00 O ATOM 816 CB ALA A 55 -15.892 1.470 -11.153 1.00 0.00 C ATOM 0 H ALA A 55 -15.015 0.418 -9.103 1.00 0.00 H new ATOM 0 HA ALA A 55 -16.642 -0.515 -11.298 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.169 1.719 -12.177 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.683 1.791 -10.475 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.963 1.979 -10.894 1.00 0.00 H new ATOM 822 N GLY A 56 -13.516 -0.999 -11.404 1.00 0.00 N ATOM 823 CA GLY A 56 -12.414 -1.528 -12.189 1.00 0.00 C ATOM 824 C GLY A 56 -11.699 -0.412 -12.952 1.00 0.00 C ATOM 825 O GLY A 56 -11.104 -0.655 -14.001 1.00 0.00 O ATOM 0 H GLY A 56 -13.356 -0.989 -10.397 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.707 -2.036 -11.533 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.788 -2.272 -12.892 1.00 0.00 H new ATOM 829 N VAL A 57 -11.780 0.788 -12.396 1.00 0.00 N ATOM 830 CA VAL A 57 -11.148 1.942 -13.012 1.00 0.00 C ATOM 831 C VAL A 57 -9.760 2.144 -12.402 1.00 0.00 C ATOM 832 O VAL A 57 -9.636 2.458 -11.220 1.00 0.00 O ATOM 833 CB VAL A 57 -12.049 3.171 -12.867 1.00 0.00 C ATOM 834 CG1 VAL A 57 -11.409 4.399 -13.518 1.00 0.00 C ATOM 835 CG2 VAL A 57 -13.438 2.904 -13.448 1.00 0.00 C ATOM 0 H VAL A 57 -12.274 0.986 -11.526 1.00 0.00 H new ATOM 0 HA VAL A 57 -11.013 1.778 -14.081 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.165 3.378 -11.803 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -12.069 5.258 -13.401 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.453 4.608 -13.039 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.249 4.206 -14.579 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -14.058 3.793 -13.332 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -13.349 2.659 -14.506 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -13.899 2.069 -12.920 1.00 0.00 H new ATOM 845 N PRO A 58 -8.722 1.948 -13.260 1.00 0.00 N ATOM 846 CA PRO A 58 -7.347 2.105 -12.818 1.00 0.00 C ATOM 847 C PRO A 58 -6.985 3.584 -12.663 1.00 0.00 C ATOM 848 O PRO A 58 -7.367 4.410 -13.491 1.00 0.00 O ATOM 849 CB PRO A 58 -6.512 1.397 -13.872 1.00 0.00 C ATOM 850 CG PRO A 58 -7.404 1.275 -15.097 1.00 0.00 C ATOM 851 CD PRO A 58 -8.830 1.575 -14.667 1.00 0.00 C ATOM 0 HA PRO A 58 -7.171 1.674 -11.833 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -5.609 1.964 -14.101 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.192 0.415 -13.522 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.085 1.971 -15.872 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.336 0.273 -15.521 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.260 2.383 -15.259 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.474 0.706 -14.798 1.00 0.00 H new ATOM 859 N TYR A 59 -6.254 3.873 -11.596 1.00 0.00 N ATOM 860 CA TYR A 59 -5.838 5.237 -11.322 1.00 0.00 C ATOM 861 C TYR A 59 -5.242 5.890 -12.571 1.00 0.00 C ATOM 862 O TYR A 59 -5.801 6.850 -13.100 1.00 0.00 O ATOM 863 CB TYR A 59 -4.754 5.139 -10.246 1.00 0.00 C ATOM 864 CG TYR A 59 -4.343 6.487 -9.652 1.00 0.00 C ATOM 865 CD1 TYR A 59 -5.303 7.339 -9.144 1.00 0.00 C ATOM 866 CD2 TYR A 59 -3.012 6.852 -9.623 1.00 0.00 C ATOM 867 CE1 TYR A 59 -4.916 8.608 -8.585 1.00 0.00 C ATOM 868 CE2 TYR A 59 -2.626 8.122 -9.064 1.00 0.00 C ATOM 869 CZ TYR A 59 -3.597 8.937 -8.572 1.00 0.00 C ATOM 870 OH TYR A 59 -3.232 10.136 -8.044 1.00 0.00 O ATOM 0 H TYR A 59 -5.940 3.185 -10.911 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.688 5.841 -11.006 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.111 4.494 -9.443 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -3.874 4.659 -10.674 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.344 7.054 -9.166 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.260 6.185 -10.019 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.657 9.284 -8.185 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.588 8.420 -9.036 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.867 10.391 -7.342 1.00 0.00 H new ATOM 880 N HIS A 60 -4.117 5.343 -13.006 1.00 0.00 N ATOM 881 CA HIS A 60 -3.439 5.861 -14.183 1.00 0.00 C ATOM 882 C HIS A 60 -3.224 4.729 -15.190 1.00 0.00 C ATOM 883 O HIS A 60 -2.169 4.644 -15.817 1.00 0.00 O ATOM 884 CB HIS A 60 -2.138 6.566 -13.795 1.00 0.00 C ATOM 885 CG HIS A 60 -2.336 7.947 -13.218 1.00 0.00 C ATOM 886 ND1 HIS A 60 -3.266 8.421 -12.339 1.00 0.00 N flip ATOM 887 CD2 HIS A 60 -1.521 9.018 -13.539 1.00 0.00 C flip ATOM 888 CE1 HIS A 60 -3.029 9.710 -12.133 1.00 0.00 C flip ATOM 889 NE2 HIS A 60 -1.948 10.083 -12.876 1.00 0.00 N flip ATOM 0 H HIS A 60 -3.657 4.546 -12.565 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.062 6.615 -14.664 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.607 5.952 -13.067 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.500 6.639 -14.676 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -0.679 8.991 -14.215 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -3.599 10.358 -11.483 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -1.540 11.017 -12.915 1.00 0.00 H new ATOM 897 N GLY A 61 -4.240 3.888 -15.313 1.00 0.00 N ATOM 898 CA GLY A 61 -4.174 2.765 -16.233 1.00 0.00 C ATOM 899 C GLY A 61 -2.991 1.854 -15.902 1.00 0.00 C ATOM 900 O GLY A 61 -2.587 1.032 -16.724 1.00 0.00 O ATOM 0 H GLY A 61 -5.113 3.961 -14.791 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.102 2.195 -16.184 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.080 3.132 -17.255 1.00 0.00 H new ATOM 904 N GLU A 62 -2.468 2.029 -14.697 1.00 0.00 N ATOM 905 CA GLU A 62 -1.339 1.233 -14.248 1.00 0.00 C ATOM 906 C GLU A 62 -1.814 -0.144 -13.779 1.00 0.00 C ATOM 907 O GLU A 62 -2.805 -0.250 -13.058 1.00 0.00 O ATOM 908 CB GLU A 62 -0.566 1.953 -13.141 1.00 0.00 C ATOM 909 CG GLU A 62 0.479 2.902 -13.731 1.00 0.00 C ATOM 910 CD GLU A 62 1.642 3.109 -12.758 1.00 0.00 C ATOM 911 OE1 GLU A 62 2.551 2.251 -12.769 1.00 0.00 O ATOM 912 OE2 GLU A 62 1.595 4.121 -12.025 1.00 0.00 O ATOM 0 H GLU A 62 -2.806 2.711 -14.018 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.659 1.095 -15.089 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.259 2.514 -12.514 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.076 1.221 -12.499 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.854 2.497 -14.671 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.016 3.862 -13.960 1.00 0.00 H new ATOM 919 N VAL A 63 -1.084 -1.164 -14.206 1.00 0.00 N ATOM 920 CA VAL A 63 -1.418 -2.529 -13.839 1.00 0.00 C ATOM 921 C VAL A 63 -0.966 -2.791 -12.401 1.00 0.00 C ATOM 922 O VAL A 63 -0.240 -1.987 -11.819 1.00 0.00 O ATOM 923 CB VAL A 63 -0.806 -3.506 -14.845 1.00 0.00 C ATOM 924 CG1 VAL A 63 -0.670 -2.859 -16.225 1.00 0.00 C ATOM 925 CG2 VAL A 63 0.543 -4.030 -14.350 1.00 0.00 C ATOM 0 H VAL A 63 -0.262 -1.072 -14.803 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.497 -2.681 -13.874 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.481 -4.356 -14.939 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.232 -3.575 -16.921 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.654 -2.558 -16.585 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.026 -1.982 -16.154 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.956 -4.722 -15.084 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.230 -3.195 -14.213 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.406 -4.547 -13.400 1.00 0.00 H new ATOM 935 N PRO A 64 -1.427 -3.948 -11.855 1.00 0.00 N ATOM 936 CA PRO A 64 -1.079 -4.326 -10.496 1.00 0.00 C ATOM 937 C PRO A 64 0.366 -4.825 -10.419 1.00 0.00 C ATOM 938 O PRO A 64 0.847 -5.487 -11.337 1.00 0.00 O ATOM 939 CB PRO A 64 -2.095 -5.388 -10.110 1.00 0.00 C ATOM 940 CG PRO A 64 -2.682 -5.898 -11.416 1.00 0.00 C ATOM 941 CD PRO A 64 -2.290 -4.924 -12.515 1.00 0.00 C ATOM 0 HA PRO A 64 -1.118 -3.486 -9.803 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -1.622 -6.196 -9.552 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.872 -4.971 -9.469 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.306 -6.897 -11.639 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.767 -5.975 -11.343 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -1.767 -5.431 -13.325 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.167 -4.446 -12.952 1.00 0.00 H new ATOM 949 N VAL A 65 1.017 -4.487 -9.316 1.00 0.00 N ATOM 950 CA VAL A 65 2.396 -4.893 -9.107 1.00 0.00 C ATOM 951 C VAL A 65 2.424 -6.268 -8.438 1.00 0.00 C ATOM 952 O VAL A 65 1.841 -6.455 -7.370 1.00 0.00 O ATOM 953 CB VAL A 65 3.141 -3.823 -8.306 1.00 0.00 C ATOM 954 CG1 VAL A 65 3.331 -2.550 -9.134 1.00 0.00 C ATOM 955 CG2 VAL A 65 2.417 -3.519 -6.992 1.00 0.00 C ATOM 0 H VAL A 65 0.615 -3.936 -8.557 1.00 0.00 H new ATOM 0 HA VAL A 65 2.915 -4.986 -10.061 1.00 0.00 H new ATOM 0 HB VAL A 65 4.129 -4.214 -8.062 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.863 -1.806 -8.541 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.908 -2.781 -10.029 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.357 -2.155 -9.423 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.967 -2.756 -6.442 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.411 -3.158 -7.206 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.357 -4.427 -6.391 1.00 0.00 H new ATOM 965 N SER A 66 3.106 -7.196 -9.092 1.00 0.00 N ATOM 966 CA SER A 66 3.217 -8.549 -8.574 1.00 0.00 C ATOM 967 C SER A 66 4.037 -8.549 -7.282 1.00 0.00 C ATOM 968 O SER A 66 5.138 -8.002 -7.242 1.00 0.00 O ATOM 969 CB SER A 66 3.851 -9.484 -9.605 1.00 0.00 C ATOM 970 OG SER A 66 4.914 -8.853 -10.315 1.00 0.00 O ATOM 0 H SER A 66 3.588 -7.038 -9.977 1.00 0.00 H new ATOM 0 HA SER A 66 2.213 -8.916 -8.360 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.229 -10.375 -9.103 1.00 0.00 H new ATOM 0 HB3 SER A 66 3.089 -9.815 -10.311 1.00 0.00 H new ATOM 0 HG SER A 66 5.294 -9.483 -10.963 1.00 0.00 H new ATOM 976 N LEU A 67 3.469 -9.168 -6.258 1.00 0.00 N ATOM 977 CA LEU A 67 4.134 -9.246 -4.968 1.00 0.00 C ATOM 978 C LEU A 67 4.931 -10.550 -4.888 1.00 0.00 C ATOM 979 O LEU A 67 5.130 -11.094 -3.803 1.00 0.00 O ATOM 980 CB LEU A 67 3.123 -9.072 -3.833 1.00 0.00 C ATOM 981 CG LEU A 67 2.217 -7.843 -3.924 1.00 0.00 C ATOM 982 CD1 LEU A 67 0.910 -8.068 -3.160 1.00 0.00 C ATOM 983 CD2 LEU A 67 2.949 -6.586 -3.452 1.00 0.00 C ATOM 0 H LEU A 67 2.556 -9.620 -6.295 1.00 0.00 H new ATOM 0 HA LEU A 67 4.847 -8.429 -4.857 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.493 -9.961 -3.795 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.669 -9.027 -2.891 1.00 0.00 H new ATOM 0 HG LEU A 67 1.955 -7.688 -4.971 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.284 -7.179 -3.240 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.383 -8.923 -3.584 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.131 -8.262 -2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.282 -5.727 -3.527 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.261 -6.714 -2.415 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.827 -6.420 -4.077 1.00 0.00 H new ATOM 995 N ALA A 68 5.364 -11.014 -6.051 1.00 0.00 N ATOM 996 CA ALA A 68 6.134 -12.244 -6.127 1.00 0.00 C ATOM 997 C ALA A 68 7.581 -11.960 -5.719 1.00 0.00 C ATOM 998 O ALA A 68 8.294 -11.235 -6.411 1.00 0.00 O ATOM 999 CB ALA A 68 6.029 -12.826 -7.537 1.00 0.00 C ATOM 0 H ALA A 68 5.196 -10.560 -6.949 1.00 0.00 H new ATOM 0 HA ALA A 68 5.737 -12.989 -5.437 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.607 -13.749 -7.594 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.985 -13.037 -7.767 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.421 -12.108 -8.257 1.00 0.00 H new ATOM 1005 N ARG A 69 7.972 -12.546 -4.597 1.00 0.00 N ATOM 1006 CA ARG A 69 9.322 -12.365 -4.089 1.00 0.00 C ATOM 1007 C ARG A 69 9.517 -10.928 -3.600 1.00 0.00 C ATOM 1008 O ARG A 69 10.647 -10.468 -3.451 1.00 0.00 O ATOM 1009 CB ARG A 69 10.362 -12.675 -5.167 1.00 0.00 C ATOM 1010 CG ARG A 69 10.024 -13.977 -5.897 1.00 0.00 C ATOM 1011 CD ARG A 69 11.290 -14.781 -6.200 1.00 0.00 C ATOM 1012 NE ARG A 69 11.940 -14.259 -7.423 1.00 0.00 N ATOM 1013 CZ ARG A 69 12.984 -14.844 -8.026 1.00 0.00 C ATOM 1014 NH1 ARG A 69 13.502 -15.973 -7.524 1.00 0.00 N ATOM 1015 NH2 ARG A 69 13.510 -14.300 -9.132 1.00 0.00 N ATOM 0 H ARG A 69 7.378 -13.146 -4.025 1.00 0.00 H new ATOM 0 HA ARG A 69 9.459 -13.057 -3.258 1.00 0.00 H new ATOM 0 HB2 ARG A 69 10.406 -11.854 -5.882 1.00 0.00 H new ATOM 0 HB3 ARG A 69 11.350 -12.755 -4.712 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.347 -14.575 -5.287 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.501 -13.752 -6.826 1.00 0.00 H new ATOM 0 HD2 ARG A 69 11.979 -14.721 -5.358 1.00 0.00 H new ATOM 0 HD3 ARG A 69 11.039 -15.834 -6.332 1.00 0.00 H new ATOM 0 HE ARG A 69 11.570 -13.401 -7.832 1.00 0.00 H new ATOM 0 HH11 ARG A 69 13.102 -16.388 -6.682 1.00 0.00 H new ATOM 0 HH12 ARG A 69 14.297 -16.418 -7.983 1.00 0.00 H new ATOM 0 HH21 ARG A 69 13.116 -13.441 -9.515 1.00 0.00 H new ATOM 0 HH22 ARG A 69 14.305 -14.745 -9.591 1.00 0.00 H new ATOM 1029 N ALA A 70 8.397 -10.260 -3.365 1.00 0.00 N ATOM 1030 CA ALA A 70 8.430 -8.885 -2.896 1.00 0.00 C ATOM 1031 C ALA A 70 8.716 -8.870 -1.393 1.00 0.00 C ATOM 1032 O ALA A 70 8.723 -9.918 -0.748 1.00 0.00 O ATOM 1033 CB ALA A 70 7.111 -8.194 -3.245 1.00 0.00 C ATOM 0 H ALA A 70 7.461 -10.645 -3.491 1.00 0.00 H new ATOM 0 HA ALA A 70 9.228 -8.331 -3.389 1.00 0.00 H new ATOM 0 HB1 ALA A 70 7.136 -7.163 -2.893 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.969 -8.205 -4.326 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.286 -8.721 -2.765 1.00 0.00 H new ATOM 1039 N GLN A 71 8.945 -7.671 -0.878 1.00 0.00 N ATOM 1040 CA GLN A 71 9.231 -7.506 0.537 1.00 0.00 C ATOM 1041 C GLN A 71 8.334 -6.421 1.136 1.00 0.00 C ATOM 1042 O GLN A 71 8.248 -5.316 0.602 1.00 0.00 O ATOM 1043 CB GLN A 71 10.709 -7.182 0.763 1.00 0.00 C ATOM 1044 CG GLN A 71 11.595 -8.370 0.383 1.00 0.00 C ATOM 1045 CD GLN A 71 12.372 -8.885 1.596 1.00 0.00 C ATOM 1046 OE1 GLN A 71 12.497 -8.223 2.613 1.00 0.00 O ATOM 1047 NE2 GLN A 71 12.887 -10.101 1.432 1.00 0.00 N ATOM 0 H GLN A 71 8.938 -6.804 -1.416 1.00 0.00 H new ATOM 0 HA GLN A 71 9.018 -8.447 1.044 1.00 0.00 H new ATOM 0 HB2 GLN A 71 10.989 -6.311 0.170 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.872 -6.922 1.809 1.00 0.00 H new ATOM 0 HG2 GLN A 71 10.979 -9.171 -0.026 1.00 0.00 H new ATOM 0 HG3 GLN A 71 12.292 -8.072 -0.400 1.00 0.00 H new ATOM 0 HE21 GLN A 71 12.745 -10.601 0.554 1.00 0.00 H new ATOM 0 HE22 GLN A 71 13.424 -10.533 2.184 1.00 0.00 H new ATOM 1056 N GLY A 72 7.688 -6.774 2.238 1.00 0.00 N ATOM 1057 CA GLY A 72 6.801 -5.845 2.916 1.00 0.00 C ATOM 1058 C GLY A 72 7.293 -5.553 4.335 1.00 0.00 C ATOM 1059 O GLY A 72 7.278 -6.433 5.194 1.00 0.00 O ATOM 0 H GLY A 72 7.762 -7.691 2.678 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.741 -4.916 2.350 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.794 -6.261 2.955 1.00 0.00 H new ATOM 1063 N SER A 73 7.717 -4.314 4.537 1.00 0.00 N ATOM 1064 CA SER A 73 8.213 -3.895 5.837 1.00 0.00 C ATOM 1065 C SER A 73 7.666 -2.509 6.184 1.00 0.00 C ATOM 1066 O SER A 73 7.236 -1.769 5.300 1.00 0.00 O ATOM 1067 CB SER A 73 9.742 -3.885 5.866 1.00 0.00 C ATOM 1068 OG SER A 73 10.259 -4.565 7.007 1.00 0.00 O ATOM 0 H SER A 73 7.727 -3.587 3.822 1.00 0.00 H new ATOM 0 HA SER A 73 7.867 -4.612 6.582 1.00 0.00 H new ATOM 0 HB2 SER A 73 10.125 -4.355 4.960 1.00 0.00 H new ATOM 0 HB3 SER A 73 10.098 -2.855 5.866 1.00 0.00 H new ATOM 0 HG SER A 73 11.238 -4.538 6.988 1.00 0.00 H new ATOM 1074 N VAL A 74 7.700 -2.199 7.471 1.00 0.00 N ATOM 1075 CA VAL A 74 7.214 -0.915 7.946 1.00 0.00 C ATOM 1076 C VAL A 74 8.328 0.126 7.820 1.00 0.00 C ATOM 1077 O VAL A 74 9.496 -0.226 7.662 1.00 0.00 O ATOM 1078 CB VAL A 74 6.682 -1.052 9.374 1.00 0.00 C ATOM 1079 CG1 VAL A 74 6.093 -2.445 9.608 1.00 0.00 C ATOM 1080 CG2 VAL A 74 7.774 -0.738 10.398 1.00 0.00 C ATOM 0 H VAL A 74 8.057 -2.816 8.201 1.00 0.00 H new ATOM 0 HA VAL A 74 6.379 -0.573 7.334 1.00 0.00 H new ATOM 0 HB VAL A 74 5.881 -0.324 9.505 1.00 0.00 H new ATOM 0 HG11 VAL A 74 5.722 -2.516 10.630 1.00 0.00 H new ATOM 0 HG12 VAL A 74 5.272 -2.615 8.911 1.00 0.00 H new ATOM 0 HG13 VAL A 74 6.865 -3.198 9.449 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.370 -0.843 11.405 1.00 0.00 H new ATOM 0 HG22 VAL A 74 8.606 -1.430 10.267 1.00 0.00 H new ATOM 0 HG23 VAL A 74 8.126 0.283 10.253 1.00 0.00 H new ATOM 1090 N ALA A 75 7.928 1.386 7.895 1.00 0.00 N ATOM 1091 CA ALA A 75 8.878 2.481 7.792 1.00 0.00 C ATOM 1092 C ALA A 75 8.732 3.394 9.011 1.00 0.00 C ATOM 1093 O ALA A 75 8.307 4.541 8.884 1.00 0.00 O ATOM 1094 CB ALA A 75 8.657 3.227 6.474 1.00 0.00 C ATOM 0 H ALA A 75 6.958 1.674 8.026 1.00 0.00 H new ATOM 0 HA ALA A 75 9.900 2.103 7.785 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.370 4.048 6.397 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.802 2.541 5.639 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.642 3.623 6.446 1.00 0.00 H new ATOM 1100 N PHE A 76 9.093 2.851 10.164 1.00 0.00 N ATOM 1101 CA PHE A 76 9.008 3.603 11.404 1.00 0.00 C ATOM 1102 C PHE A 76 9.827 4.892 11.322 1.00 0.00 C ATOM 1103 O PHE A 76 9.556 5.851 12.043 1.00 0.00 O ATOM 1104 CB PHE A 76 9.588 2.714 12.507 1.00 0.00 C ATOM 1105 CG PHE A 76 8.667 1.569 12.933 1.00 0.00 C ATOM 1106 CD1 PHE A 76 7.332 1.787 13.074 1.00 0.00 C ATOM 1107 CD2 PHE A 76 9.183 0.333 13.170 1.00 0.00 C ATOM 1108 CE1 PHE A 76 6.477 0.725 13.469 1.00 0.00 C ATOM 1109 CE2 PHE A 76 8.328 -0.729 13.565 1.00 0.00 C ATOM 1110 CZ PHE A 76 6.993 -0.511 13.706 1.00 0.00 C ATOM 0 H PHE A 76 9.445 1.899 10.266 1.00 0.00 H new ATOM 0 HA PHE A 76 7.971 3.875 11.603 1.00 0.00 H new ATOM 0 HB2 PHE A 76 10.534 2.296 12.163 1.00 0.00 H new ATOM 0 HB3 PHE A 76 9.810 3.331 13.378 1.00 0.00 H new ATOM 0 HD1 PHE A 76 6.922 2.768 12.885 1.00 0.00 H new ATOM 0 HD2 PHE A 76 10.243 0.160 13.058 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.417 0.898 13.581 1.00 0.00 H new ATOM 0 HE2 PHE A 76 8.738 -1.710 13.754 1.00 0.00 H new ATOM 0 HZ PHE A 76 6.343 -1.319 14.006 1.00 0.00 H new ATOM 1120 N ASP A 77 10.812 4.874 10.436 1.00 0.00 N ATOM 1121 CA ASP A 77 11.672 6.030 10.249 1.00 0.00 C ATOM 1122 C ASP A 77 10.817 7.241 9.871 1.00 0.00 C ATOM 1123 O ASP A 77 11.187 8.380 10.153 1.00 0.00 O ATOM 1124 CB ASP A 77 12.679 5.792 9.122 1.00 0.00 C ATOM 1125 CG ASP A 77 13.449 4.473 9.211 1.00 0.00 C ATOM 1126 OD1 ASP A 77 12.772 3.423 9.263 1.00 0.00 O ATOM 1127 OD2 ASP A 77 14.697 4.544 9.224 1.00 0.00 O ATOM 0 H ASP A 77 11.034 4.077 9.840 1.00 0.00 H new ATOM 0 HA ASP A 77 12.209 6.204 11.181 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.150 5.823 8.170 1.00 0.00 H new ATOM 0 HB3 ASP A 77 13.395 6.614 9.115 1.00 0.00 H new ATOM 1132 N TYR A 78 9.688 6.954 9.239 1.00 0.00 N ATOM 1133 CA TYR A 78 8.777 8.005 8.820 1.00 0.00 C ATOM 1134 C TYR A 78 7.916 8.483 9.990 1.00 0.00 C ATOM 1135 O TYR A 78 7.020 7.769 10.438 1.00 0.00 O ATOM 1136 CB TYR A 78 7.872 7.380 7.757 1.00 0.00 C ATOM 1137 CG TYR A 78 7.488 8.335 6.626 1.00 0.00 C ATOM 1138 CD1 TYR A 78 6.393 9.164 6.764 1.00 0.00 C ATOM 1139 CD2 TYR A 78 8.236 8.368 5.466 1.00 0.00 C ATOM 1140 CE1 TYR A 78 6.032 10.064 5.700 1.00 0.00 C ATOM 1141 CE2 TYR A 78 7.874 9.267 4.401 1.00 0.00 C ATOM 1142 CZ TYR A 78 6.790 10.071 4.571 1.00 0.00 C ATOM 1143 OH TYR A 78 6.448 10.920 3.565 1.00 0.00 O ATOM 0 H TYR A 78 9.384 6.008 9.007 1.00 0.00 H new ATOM 0 HA TYR A 78 9.331 8.865 8.444 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.376 6.512 7.331 1.00 0.00 H new ATOM 0 HB3 TYR A 78 6.963 7.017 8.237 1.00 0.00 H new ATOM 0 HD1 TYR A 78 5.807 9.137 7.671 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.093 7.719 5.357 1.00 0.00 H new ATOM 0 HE1 TYR A 78 5.179 10.719 5.796 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.450 9.302 3.488 1.00 0.00 H new ATOM 0 HH TYR A 78 5.757 10.505 3.008 1.00 0.00 H new ATOM 1153 N ARG A 79 8.216 9.689 10.451 1.00 0.00 N ATOM 1154 CA ARG A 79 7.480 10.270 11.561 1.00 0.00 C ATOM 1155 C ARG A 79 6.330 11.134 11.040 1.00 0.00 C ATOM 1156 O ARG A 79 5.272 11.208 11.664 1.00 0.00 O ATOM 1157 CB ARG A 79 8.394 11.126 12.440 1.00 0.00 C ATOM 1158 CG ARG A 79 8.865 10.343 13.667 1.00 0.00 C ATOM 1159 CD ARG A 79 9.618 11.252 14.641 1.00 0.00 C ATOM 1160 NE ARG A 79 11.076 11.032 14.514 1.00 0.00 N ATOM 1161 CZ ARG A 79 11.699 9.900 14.868 1.00 0.00 C ATOM 1162 NH1 ARG A 79 10.995 8.877 15.371 1.00 0.00 N ATOM 1163 NH2 ARG A 79 13.026 9.790 14.717 1.00 0.00 N ATOM 0 H ARG A 79 8.959 10.279 10.076 1.00 0.00 H new ATOM 0 HA ARG A 79 7.082 9.451 12.160 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.257 11.455 11.861 1.00 0.00 H new ATOM 0 HB3 ARG A 79 7.863 12.023 12.758 1.00 0.00 H new ATOM 0 HG2 ARG A 79 8.007 9.897 14.170 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.512 9.524 13.354 1.00 0.00 H new ATOM 0 HD2 ARG A 79 9.380 12.296 14.435 1.00 0.00 H new ATOM 0 HD3 ARG A 79 9.299 11.048 15.663 1.00 0.00 H new ATOM 0 HE ARG A 79 11.642 11.790 14.133 1.00 0.00 H new ATOM 0 HH11 ARG A 79 9.985 8.960 15.484 1.00 0.00 H new ATOM 0 HH12 ARG A 79 11.469 8.015 15.640 1.00 0.00 H new ATOM 0 HH21 ARG A 79 13.562 10.568 14.333 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.500 8.928 14.987 1.00 0.00 H new ATOM 1177 N LYS A 80 6.575 11.766 9.901 1.00 0.00 N ATOM 1178 CA LYS A 80 5.573 12.622 9.289 1.00 0.00 C ATOM 1179 C LYS A 80 4.214 11.919 9.331 1.00 0.00 C ATOM 1180 O LYS A 80 3.381 12.222 10.183 1.00 0.00 O ATOM 1181 CB LYS A 80 6.008 13.035 7.882 1.00 0.00 C ATOM 1182 CG LYS A 80 7.076 14.130 7.938 1.00 0.00 C ATOM 1183 CD LYS A 80 6.459 15.509 7.700 1.00 0.00 C ATOM 1184 CE LYS A 80 7.461 16.621 8.019 1.00 0.00 C ATOM 1185 NZ LYS A 80 7.979 17.225 6.771 1.00 0.00 N ATOM 0 H LYS A 80 7.453 11.702 9.386 1.00 0.00 H new ATOM 0 HA LYS A 80 5.470 13.550 9.851 1.00 0.00 H new ATOM 0 HB2 LYS A 80 6.398 12.168 7.349 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.145 13.392 7.321 1.00 0.00 H new ATOM 0 HG2 LYS A 80 7.571 14.111 8.909 1.00 0.00 H new ATOM 0 HG3 LYS A 80 7.841 13.935 7.187 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.136 15.593 6.662 1.00 0.00 H new ATOM 0 HD3 LYS A 80 5.571 15.626 8.321 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.982 17.387 8.629 1.00 0.00 H new ATOM 0 HE3 LYS A 80 8.287 16.218 8.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.657 17.978 7.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 8.454 16.495 6.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.190 17.628 6.227 1.00 0.00 H new ATOM 1199 N ARG A 81 4.033 10.994 8.400 1.00 0.00 N ATOM 1200 CA ARG A 81 2.790 10.246 8.319 1.00 0.00 C ATOM 1201 C ARG A 81 2.899 8.948 9.121 1.00 0.00 C ATOM 1202 O ARG A 81 3.721 8.088 8.808 1.00 0.00 O ATOM 1203 CB ARG A 81 2.440 9.913 6.868 1.00 0.00 C ATOM 1204 CG ARG A 81 1.686 11.068 6.206 1.00 0.00 C ATOM 1205 CD ARG A 81 2.561 11.771 5.167 1.00 0.00 C ATOM 1206 NE ARG A 81 1.972 13.082 4.812 1.00 0.00 N ATOM 1207 CZ ARG A 81 2.613 14.030 4.115 1.00 0.00 C ATOM 1208 NH1 ARG A 81 3.868 13.819 3.695 1.00 0.00 N ATOM 1209 NH2 ARG A 81 2.000 15.189 3.839 1.00 0.00 N ATOM 0 H ARG A 81 4.727 10.745 7.695 1.00 0.00 H new ATOM 0 HA ARG A 81 2.000 10.870 8.736 1.00 0.00 H new ATOM 0 HB2 ARG A 81 3.352 9.702 6.310 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.830 9.010 6.835 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.782 10.690 5.729 1.00 0.00 H new ATOM 0 HG3 ARG A 81 1.371 11.784 6.965 1.00 0.00 H new ATOM 0 HD2 ARG A 81 3.567 11.910 5.562 1.00 0.00 H new ATOM 0 HD3 ARG A 81 2.651 11.150 4.276 1.00 0.00 H new ATOM 0 HE ARG A 81 1.018 13.276 5.117 1.00 0.00 H new ATOM 0 HH11 ARG A 81 4.335 12.937 3.906 1.00 0.00 H new ATOM 0 HH12 ARG A 81 4.356 14.540 3.164 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.045 15.350 4.160 1.00 0.00 H new ATOM 0 HH22 ARG A 81 2.488 15.910 3.308 1.00 0.00 H new ATOM 1223 N LYS A 82 2.058 8.847 10.140 1.00 0.00 N ATOM 1224 CA LYS A 82 2.049 7.668 10.989 1.00 0.00 C ATOM 1225 C LYS A 82 1.533 6.471 10.188 1.00 0.00 C ATOM 1226 O LYS A 82 0.916 6.642 9.138 1.00 0.00 O ATOM 1227 CB LYS A 82 1.259 7.936 12.271 1.00 0.00 C ATOM 1228 CG LYS A 82 2.147 8.581 13.338 1.00 0.00 C ATOM 1229 CD LYS A 82 2.966 7.523 14.081 1.00 0.00 C ATOM 1230 CE LYS A 82 2.493 7.382 15.529 1.00 0.00 C ATOM 1231 NZ LYS A 82 3.070 8.454 16.370 1.00 0.00 N ATOM 0 H LYS A 82 1.378 9.563 10.397 1.00 0.00 H new ATOM 0 HA LYS A 82 3.061 7.424 11.311 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.415 8.589 12.052 1.00 0.00 H new ATOM 0 HB3 LYS A 82 0.848 7.001 12.651 1.00 0.00 H new ATOM 0 HG2 LYS A 82 2.817 9.303 12.871 1.00 0.00 H new ATOM 0 HG3 LYS A 82 1.529 9.132 14.047 1.00 0.00 H new ATOM 0 HD2 LYS A 82 2.877 6.564 13.570 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.021 7.796 14.064 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.405 7.427 15.568 1.00 0.00 H new ATOM 0 HE3 LYS A 82 2.786 6.408 15.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.739 8.343 17.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.108 8.393 16.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 2.770 9.381 16.006 1.00 0.00 H new ATOM 1245 N HIS A 83 1.804 5.286 10.714 1.00 0.00 N ATOM 1246 CA HIS A 83 1.374 4.061 10.061 1.00 0.00 C ATOM 1247 C HIS A 83 1.795 4.089 8.590 1.00 0.00 C ATOM 1248 O HIS A 83 0.948 4.133 7.699 1.00 0.00 O ATOM 1249 CB HIS A 83 -0.129 3.846 10.244 1.00 0.00 C ATOM 1250 CG HIS A 83 -0.769 4.793 11.231 1.00 0.00 C ATOM 1251 ND1 HIS A 83 -0.683 4.619 12.601 1.00 0.00 N ATOM 1252 CD2 HIS A 83 -1.505 5.924 11.032 1.00 0.00 C ATOM 1253 CE1 HIS A 83 -1.341 5.606 13.190 1.00 0.00 C ATOM 1254 NE2 HIS A 83 -1.851 6.414 12.216 1.00 0.00 N ATOM 0 H HIS A 83 2.316 5.148 11.585 1.00 0.00 H new ATOM 0 HA HIS A 83 1.863 3.205 10.527 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -0.622 3.957 9.278 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -0.302 2.822 10.574 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.763 6.349 10.073 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -1.454 5.747 14.255 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -2.406 7.255 12.372 1.00 0.00 H new ATOM 1262 N VAL A 84 3.103 4.061 8.382 1.00 0.00 N ATOM 1263 CA VAL A 84 3.647 4.083 7.034 1.00 0.00 C ATOM 1264 C VAL A 84 4.687 2.970 6.891 1.00 0.00 C ATOM 1265 O VAL A 84 5.670 2.936 7.629 1.00 0.00 O ATOM 1266 CB VAL A 84 4.208 5.471 6.719 1.00 0.00 C ATOM 1267 CG1 VAL A 84 4.925 5.478 5.367 1.00 0.00 C ATOM 1268 CG2 VAL A 84 3.106 6.531 6.760 1.00 0.00 C ATOM 0 H VAL A 84 3.802 4.023 9.124 1.00 0.00 H new ATOM 0 HA VAL A 84 2.863 3.891 6.302 1.00 0.00 H new ATOM 0 HB VAL A 84 4.939 5.719 7.488 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.314 6.476 5.167 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.749 4.765 5.388 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.223 5.198 4.581 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.532 7.508 6.533 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.340 6.289 6.023 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.659 6.553 7.754 1.00 0.00 H new ATOM 1278 N PHE A 85 4.435 2.088 5.935 1.00 0.00 N ATOM 1279 CA PHE A 85 5.338 0.977 5.685 1.00 0.00 C ATOM 1280 C PHE A 85 5.890 1.029 4.259 1.00 0.00 C ATOM 1281 O PHE A 85 5.233 1.541 3.354 1.00 0.00 O ATOM 1282 CB PHE A 85 4.524 -0.307 5.858 1.00 0.00 C ATOM 1283 CG PHE A 85 3.263 -0.366 4.994 1.00 0.00 C ATOM 1284 CD1 PHE A 85 2.172 0.371 5.334 1.00 0.00 C ATOM 1285 CD2 PHE A 85 3.233 -1.155 3.887 1.00 0.00 C ATOM 1286 CE1 PHE A 85 1.001 0.317 4.532 1.00 0.00 C ATOM 1287 CE2 PHE A 85 2.062 -1.210 3.086 1.00 0.00 C ATOM 1288 CZ PHE A 85 0.970 -0.473 3.425 1.00 0.00 C ATOM 0 H PHE A 85 3.619 2.120 5.324 1.00 0.00 H new ATOM 0 HA PHE A 85 6.182 1.020 6.374 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.157 -1.161 5.618 1.00 0.00 H new ATOM 0 HB3 PHE A 85 4.239 -0.406 6.905 1.00 0.00 H new ATOM 0 HD1 PHE A 85 2.196 0.997 6.214 1.00 0.00 H new ATOM 0 HD2 PHE A 85 4.100 -1.740 3.617 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.135 0.903 4.801 1.00 0.00 H new ATOM 0 HE2 PHE A 85 2.038 -1.837 2.207 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.079 -0.515 2.816 1.00 0.00 H new ATOM 1298 N LYS A 86 7.091 0.493 4.104 1.00 0.00 N ATOM 1299 CA LYS A 86 7.739 0.471 2.804 1.00 0.00 C ATOM 1300 C LYS A 86 7.534 -0.901 2.159 1.00 0.00 C ATOM 1301 O LYS A 86 7.646 -1.928 2.826 1.00 0.00 O ATOM 1302 CB LYS A 86 9.209 0.877 2.931 1.00 0.00 C ATOM 1303 CG LYS A 86 9.900 0.868 1.566 1.00 0.00 C ATOM 1304 CD LYS A 86 11.321 1.426 1.667 1.00 0.00 C ATOM 1305 CE LYS A 86 11.378 2.874 1.177 1.00 0.00 C ATOM 1306 NZ LYS A 86 12.694 3.476 1.488 1.00 0.00 N ATOM 0 H LYS A 86 7.633 0.070 4.858 1.00 0.00 H new ATOM 0 HA LYS A 86 7.285 1.207 2.140 1.00 0.00 H new ATOM 0 HB2 LYS A 86 9.279 1.872 3.371 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.722 0.193 3.607 1.00 0.00 H new ATOM 0 HG2 LYS A 86 9.932 -0.150 1.177 1.00 0.00 H new ATOM 0 HG3 LYS A 86 9.322 1.462 0.858 1.00 0.00 H new ATOM 0 HD2 LYS A 86 11.663 1.374 2.701 1.00 0.00 H new ATOM 0 HD3 LYS A 86 12.000 0.811 1.076 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.201 2.907 0.102 1.00 0.00 H new ATOM 0 HE3 LYS A 86 10.585 3.455 1.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 12.709 4.464 1.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 12.855 3.446 2.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.443 2.941 1.004 1.00 0.00 H new ATOM 1320 N LEU A 87 7.236 -0.873 0.868 1.00 0.00 N ATOM 1321 CA LEU A 87 7.014 -2.102 0.125 1.00 0.00 C ATOM 1322 C LEU A 87 8.033 -2.197 -1.013 1.00 0.00 C ATOM 1323 O LEU A 87 7.895 -1.521 -2.032 1.00 0.00 O ATOM 1324 CB LEU A 87 5.560 -2.191 -0.342 1.00 0.00 C ATOM 1325 CG LEU A 87 5.222 -3.365 -1.263 1.00 0.00 C ATOM 1326 CD1 LEU A 87 5.317 -4.695 -0.513 1.00 0.00 C ATOM 1327 CD2 LEU A 87 3.852 -3.172 -1.916 1.00 0.00 C ATOM 0 H LEU A 87 7.143 -0.019 0.318 1.00 0.00 H new ATOM 0 HA LEU A 87 7.172 -2.969 0.767 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.919 -2.249 0.538 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.308 -1.265 -0.859 1.00 0.00 H new ATOM 0 HG LEU A 87 5.960 -3.394 -2.065 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.072 -5.513 -1.190 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.331 -4.828 -0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.616 -4.693 0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.636 -4.020 -2.566 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.087 -3.103 -1.143 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.856 -2.255 -2.506 1.00 0.00 H new ATOM 1339 N GLY A 88 9.033 -3.040 -0.802 1.00 0.00 N ATOM 1340 CA GLY A 88 10.074 -3.231 -1.797 1.00 0.00 C ATOM 1341 C GLY A 88 9.827 -4.503 -2.611 1.00 0.00 C ATOM 1342 O GLY A 88 9.870 -5.608 -2.071 1.00 0.00 O ATOM 0 H GLY A 88 9.144 -3.599 0.044 1.00 0.00 H new ATOM 0 HA2 GLY A 88 10.108 -2.369 -2.463 1.00 0.00 H new ATOM 0 HA3 GLY A 88 11.045 -3.292 -1.306 1.00 0.00 H new ATOM 1346 N LEU A 89 9.575 -4.305 -3.896 1.00 0.00 N ATOM 1347 CA LEU A 89 9.321 -5.423 -4.790 1.00 0.00 C ATOM 1348 C LEU A 89 10.644 -6.120 -5.115 1.00 0.00 C ATOM 1349 O LEU A 89 11.715 -5.614 -4.783 1.00 0.00 O ATOM 1350 CB LEU A 89 8.551 -4.956 -6.027 1.00 0.00 C ATOM 1351 CG LEU A 89 7.299 -4.119 -5.761 1.00 0.00 C ATOM 1352 CD1 LEU A 89 6.365 -4.130 -6.972 1.00 0.00 C ATOM 1353 CD2 LEU A 89 6.590 -4.582 -4.487 1.00 0.00 C ATOM 0 H LEU A 89 9.541 -3.387 -4.340 1.00 0.00 H new ATOM 0 HA LEU A 89 8.682 -6.161 -4.306 1.00 0.00 H new ATOM 0 HB2 LEU A 89 9.227 -4.373 -6.653 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.261 -5.835 -6.603 1.00 0.00 H new ATOM 0 HG LEU A 89 7.607 -3.086 -5.601 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.483 -3.527 -6.756 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.885 -3.716 -7.836 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.061 -5.154 -7.188 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.703 -3.970 -4.321 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.296 -5.626 -4.593 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.265 -4.480 -3.637 1.00 0.00 H new ATOM 1365 N GLN A 90 10.526 -7.270 -5.762 1.00 0.00 N ATOM 1366 CA GLN A 90 11.699 -8.042 -6.136 1.00 0.00 C ATOM 1367 C GLN A 90 12.395 -7.400 -7.338 1.00 0.00 C ATOM 1368 O GLN A 90 13.542 -7.726 -7.642 1.00 0.00 O ATOM 1369 CB GLN A 90 11.328 -9.497 -6.430 1.00 0.00 C ATOM 1370 CG GLN A 90 10.469 -9.599 -7.692 1.00 0.00 C ATOM 1371 CD GLN A 90 10.619 -10.974 -8.347 1.00 0.00 C ATOM 1372 OE1 GLN A 90 11.703 -11.523 -8.457 1.00 0.00 O ATOM 1373 NE2 GLN A 90 9.474 -11.498 -8.773 1.00 0.00 N ATOM 0 H GLN A 90 9.636 -7.686 -6.037 1.00 0.00 H new ATOM 0 HA GLN A 90 12.393 -8.042 -5.296 1.00 0.00 H new ATOM 0 HB2 GLN A 90 12.235 -10.089 -6.554 1.00 0.00 H new ATOM 0 HB3 GLN A 90 10.786 -9.917 -5.582 1.00 0.00 H new ATOM 0 HG2 GLN A 90 9.423 -9.425 -7.440 1.00 0.00 H new ATOM 0 HG3 GLN A 90 10.760 -8.822 -8.399 1.00 0.00 H new ATOM 0 HE21 GLN A 90 8.601 -10.985 -8.650 1.00 0.00 H new ATOM 0 HE22 GLN A 90 9.468 -12.413 -9.223 1.00 0.00 H new ATOM 1382 N ASP A 91 11.673 -6.500 -7.988 1.00 0.00 N ATOM 1383 CA ASP A 91 12.207 -5.810 -9.150 1.00 0.00 C ATOM 1384 C ASP A 91 12.887 -4.515 -8.701 1.00 0.00 C ATOM 1385 O ASP A 91 13.063 -3.594 -9.497 1.00 0.00 O ATOM 1386 CB ASP A 91 11.093 -5.443 -10.133 1.00 0.00 C ATOM 1387 CG ASP A 91 11.542 -5.277 -11.586 1.00 0.00 C ATOM 1388 OD1 ASP A 91 11.750 -6.322 -12.239 1.00 0.00 O ATOM 1389 OD2 ASP A 91 11.666 -4.108 -12.012 1.00 0.00 O ATOM 0 H ASP A 91 10.723 -6.232 -7.732 1.00 0.00 H new ATOM 0 HA ASP A 91 12.916 -6.476 -9.641 1.00 0.00 H new ATOM 0 HB2 ASP A 91 10.324 -6.214 -10.092 1.00 0.00 H new ATOM 0 HB3 ASP A 91 10.630 -4.513 -9.803 1.00 0.00 H new ATOM 1394 N GLY A 92 13.251 -4.487 -7.427 1.00 0.00 N ATOM 1395 CA GLY A 92 13.908 -3.320 -6.863 1.00 0.00 C ATOM 1396 C GLY A 92 12.975 -2.108 -6.872 1.00 0.00 C ATOM 1397 O GLY A 92 13.423 -0.976 -7.052 1.00 0.00 O ATOM 0 H GLY A 92 13.104 -5.253 -6.770 1.00 0.00 H new ATOM 0 HA2 GLY A 92 14.223 -3.534 -5.842 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.809 -3.094 -7.433 1.00 0.00 H new ATOM 1401 N LYS A 93 11.694 -2.385 -6.675 1.00 0.00 N ATOM 1402 CA LYS A 93 10.694 -1.331 -6.658 1.00 0.00 C ATOM 1403 C LYS A 93 10.250 -1.079 -5.216 1.00 0.00 C ATOM 1404 O LYS A 93 9.631 -1.941 -4.594 1.00 0.00 O ATOM 1405 CB LYS A 93 9.543 -1.670 -7.607 1.00 0.00 C ATOM 1406 CG LYS A 93 9.261 -0.510 -8.563 1.00 0.00 C ATOM 1407 CD LYS A 93 7.992 -0.767 -9.379 1.00 0.00 C ATOM 1408 CE LYS A 93 8.335 -1.301 -10.771 1.00 0.00 C ATOM 1409 NZ LYS A 93 9.404 -2.321 -10.687 1.00 0.00 N ATOM 0 H LYS A 93 11.326 -3.324 -6.526 1.00 0.00 H new ATOM 0 HA LYS A 93 11.117 -0.397 -7.029 1.00 0.00 H new ATOM 0 HB2 LYS A 93 9.790 -2.565 -8.178 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.646 -1.897 -7.030 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.152 0.415 -7.996 1.00 0.00 H new ATOM 0 HG3 LYS A 93 10.108 -0.374 -9.235 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.358 -1.484 -8.857 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.421 0.157 -9.470 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.446 -1.734 -11.230 1.00 0.00 H new ATOM 0 HE3 LYS A 93 8.657 -0.481 -11.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 9.495 -2.804 -11.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 10.305 -1.861 -10.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 9.164 -3.016 -9.952 1.00 0.00 H new ATOM 1423 N GLU A 94 10.583 0.106 -4.726 1.00 0.00 N ATOM 1424 CA GLU A 94 10.225 0.482 -3.369 1.00 0.00 C ATOM 1425 C GLU A 94 9.039 1.449 -3.381 1.00 0.00 C ATOM 1426 O GLU A 94 9.030 2.417 -4.140 1.00 0.00 O ATOM 1427 CB GLU A 94 11.422 1.091 -2.636 1.00 0.00 C ATOM 1428 CG GLU A 94 12.362 0.000 -2.119 1.00 0.00 C ATOM 1429 CD GLU A 94 13.825 0.374 -2.367 1.00 0.00 C ATOM 1430 OE1 GLU A 94 14.266 1.372 -1.759 1.00 0.00 O ATOM 1431 OE2 GLU A 94 14.468 -0.347 -3.160 1.00 0.00 O ATOM 0 H GLU A 94 11.097 0.818 -5.244 1.00 0.00 H new ATOM 0 HA GLU A 94 9.929 -0.418 -2.829 1.00 0.00 H new ATOM 0 HB2 GLU A 94 11.965 1.755 -3.308 1.00 0.00 H new ATOM 0 HB3 GLU A 94 11.071 1.699 -1.802 1.00 0.00 H new ATOM 0 HG2 GLU A 94 12.197 -0.151 -1.052 1.00 0.00 H new ATOM 0 HG3 GLU A 94 12.135 -0.945 -2.614 1.00 0.00 H new ATOM 1438 N TYR A 95 8.067 1.153 -2.531 1.00 0.00 N ATOM 1439 CA TYR A 95 6.879 1.984 -2.434 1.00 0.00 C ATOM 1440 C TYR A 95 6.595 2.367 -0.980 1.00 0.00 C ATOM 1441 O TYR A 95 7.053 1.695 -0.057 1.00 0.00 O ATOM 1442 CB TYR A 95 5.724 1.130 -2.959 1.00 0.00 C ATOM 1443 CG TYR A 95 5.666 1.033 -4.485 1.00 0.00 C ATOM 1444 CD1 TYR A 95 5.181 2.092 -5.226 1.00 0.00 C ATOM 1445 CD2 TYR A 95 6.098 -0.113 -5.121 1.00 0.00 C ATOM 1446 CE1 TYR A 95 5.126 2.000 -6.662 1.00 0.00 C ATOM 1447 CE2 TYR A 95 6.043 -0.205 -6.557 1.00 0.00 C ATOM 1448 CZ TYR A 95 5.560 0.856 -7.257 1.00 0.00 C ATOM 1449 OH TYR A 95 5.509 0.770 -8.613 1.00 0.00 O ATOM 0 H TYR A 95 8.078 0.349 -1.903 1.00 0.00 H new ATOM 0 HA TYR A 95 7.008 2.906 -3.000 1.00 0.00 H new ATOM 0 HB2 TYR A 95 5.810 0.126 -2.544 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.784 1.545 -2.595 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.843 2.989 -4.729 1.00 0.00 H new ATOM 0 HD2 TYR A 95 6.478 -0.941 -4.541 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.749 2.821 -7.254 1.00 0.00 H new ATOM 0 HE2 TYR A 95 6.378 -1.096 -7.066 1.00 0.00 H new ATOM 0 HH TYR A 95 5.921 1.567 -9.007 1.00 0.00 H new ATOM 1459 N LEU A 96 5.840 3.444 -0.822 1.00 0.00 N ATOM 1460 CA LEU A 96 5.489 3.924 0.504 1.00 0.00 C ATOM 1461 C LEU A 96 3.968 4.038 0.614 1.00 0.00 C ATOM 1462 O LEU A 96 3.337 4.753 -0.162 1.00 0.00 O ATOM 1463 CB LEU A 96 6.227 5.228 0.814 1.00 0.00 C ATOM 1464 CG LEU A 96 7.663 5.082 1.322 1.00 0.00 C ATOM 1465 CD1 LEU A 96 8.289 6.450 1.598 1.00 0.00 C ATOM 1466 CD2 LEU A 96 7.721 4.167 2.547 1.00 0.00 C ATOM 0 H LEU A 96 5.461 3.998 -1.590 1.00 0.00 H new ATOM 0 HA LEU A 96 5.812 3.213 1.264 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.243 5.837 -0.090 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.653 5.779 1.559 1.00 0.00 H new ATOM 0 HG LEU A 96 8.256 4.609 0.539 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.309 6.317 1.958 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.302 7.036 0.679 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.703 6.973 2.354 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.753 4.080 2.888 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.109 4.588 3.345 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.342 3.180 2.282 1.00 0.00 H new ATOM 1478 N PHE A 97 3.422 3.320 1.585 1.00 0.00 N ATOM 1479 CA PHE A 97 1.986 3.331 1.807 1.00 0.00 C ATOM 1480 C PHE A 97 1.656 3.740 3.244 1.00 0.00 C ATOM 1481 O PHE A 97 2.219 3.195 4.193 1.00 0.00 O ATOM 1482 CB PHE A 97 1.485 1.906 1.567 1.00 0.00 C ATOM 1483 CG PHE A 97 1.662 1.418 0.128 1.00 0.00 C ATOM 1484 CD1 PHE A 97 0.701 1.675 -0.800 1.00 0.00 C ATOM 1485 CD2 PHE A 97 2.779 0.727 -0.224 1.00 0.00 C ATOM 1486 CE1 PHE A 97 0.865 1.222 -2.136 1.00 0.00 C ATOM 1487 CE2 PHE A 97 2.943 0.275 -1.560 1.00 0.00 C ATOM 1488 CZ PHE A 97 1.982 0.532 -2.487 1.00 0.00 C ATOM 0 H PHE A 97 3.948 2.727 2.227 1.00 0.00 H new ATOM 0 HA PHE A 97 1.512 4.047 1.136 1.00 0.00 H new ATOM 0 HB2 PHE A 97 2.014 1.228 2.237 1.00 0.00 H new ATOM 0 HB3 PHE A 97 0.428 1.854 1.830 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.187 2.223 -0.521 1.00 0.00 H new ATOM 0 HD2 PHE A 97 3.542 0.522 0.513 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.102 1.426 -2.873 1.00 0.00 H new ATOM 0 HE2 PHE A 97 3.831 -0.273 -1.840 1.00 0.00 H new ATOM 0 HZ PHE A 97 2.106 0.188 -3.503 1.00 0.00 H new ATOM 1498 N GLN A 98 0.746 4.696 3.360 1.00 0.00 N ATOM 1499 CA GLN A 98 0.335 5.184 4.665 1.00 0.00 C ATOM 1500 C GLN A 98 -1.042 4.625 5.031 1.00 0.00 C ATOM 1501 O GLN A 98 -2.020 4.863 4.325 1.00 0.00 O ATOM 1502 CB GLN A 98 0.333 6.713 4.703 1.00 0.00 C ATOM 1503 CG GLN A 98 -0.089 7.227 6.081 1.00 0.00 C ATOM 1504 CD GLN A 98 -0.577 8.675 6.001 1.00 0.00 C ATOM 1505 OE1 GLN A 98 -0.990 9.161 4.961 1.00 0.00 O ATOM 1506 NE2 GLN A 98 -0.505 9.335 7.153 1.00 0.00 N ATOM 0 H GLN A 98 0.282 5.146 2.571 1.00 0.00 H new ATOM 0 HA GLN A 98 1.056 4.836 5.405 1.00 0.00 H new ATOM 0 HB2 GLN A 98 1.327 7.088 4.460 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.347 7.098 3.943 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.881 6.594 6.482 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.752 7.161 6.771 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -0.149 8.868 7.987 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.806 10.308 7.203 1.00 0.00 H new ATOM 1515 N ALA A 99 -1.073 3.892 6.135 1.00 0.00 N ATOM 1516 CA ALA A 99 -2.313 3.298 6.604 1.00 0.00 C ATOM 1517 C ALA A 99 -3.091 4.330 7.422 1.00 0.00 C ATOM 1518 O ALA A 99 -2.572 5.401 7.733 1.00 0.00 O ATOM 1519 CB ALA A 99 -2.001 2.033 7.406 1.00 0.00 C ATOM 0 H ALA A 99 -0.259 3.696 6.718 1.00 0.00 H new ATOM 0 HA ALA A 99 -2.940 3.004 5.762 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -2.931 1.587 7.758 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.474 1.320 6.771 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.375 2.289 8.261 1.00 0.00 H new ATOM 1525 N LYS A 100 -4.325 3.972 7.747 1.00 0.00 N ATOM 1526 CA LYS A 100 -5.180 4.854 8.523 1.00 0.00 C ATOM 1527 C LYS A 100 -4.742 4.822 9.988 1.00 0.00 C ATOM 1528 O LYS A 100 -5.000 5.763 10.737 1.00 0.00 O ATOM 1529 CB LYS A 100 -6.652 4.494 8.313 1.00 0.00 C ATOM 1530 CG LYS A 100 -7.036 3.256 9.126 1.00 0.00 C ATOM 1531 CD LYS A 100 -8.265 3.530 9.995 1.00 0.00 C ATOM 1532 CE LYS A 100 -8.667 2.283 10.784 1.00 0.00 C ATOM 1533 NZ LYS A 100 -9.461 1.366 9.936 1.00 0.00 N ATOM 0 H LYS A 100 -4.753 3.083 7.487 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.076 5.884 8.181 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.281 5.335 8.606 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.838 4.310 7.255 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -7.241 2.424 8.453 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.199 2.957 9.757 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.053 4.348 10.684 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -9.096 3.850 9.366 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -7.775 1.772 11.147 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -9.247 2.571 11.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -9.725 0.525 10.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.321 1.851 9.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -8.895 1.077 9.113 1.00 0.00 H new ATOM 1547 N ASP A 101 -4.088 3.729 10.354 1.00 0.00 N ATOM 1548 CA ASP A 101 -3.612 3.563 11.717 1.00 0.00 C ATOM 1549 C ASP A 101 -2.657 2.369 11.776 1.00 0.00 C ATOM 1550 O ASP A 101 -2.346 1.766 10.750 1.00 0.00 O ATOM 1551 CB ASP A 101 -4.773 3.288 12.676 1.00 0.00 C ATOM 1552 CG ASP A 101 -5.756 4.448 12.849 1.00 0.00 C ATOM 1553 OD1 ASP A 101 -5.286 5.535 13.249 1.00 0.00 O ATOM 1554 OD2 ASP A 101 -6.955 4.220 12.579 1.00 0.00 O ATOM 0 H ASP A 101 -3.877 2.950 9.730 1.00 0.00 H new ATOM 0 HA ASP A 101 -3.109 4.483 12.014 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -5.322 2.417 12.318 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -4.364 3.029 13.653 1.00 0.00 H new ATOM 1559 N GLU A 102 -2.219 2.062 12.988 1.00 0.00 N ATOM 1560 CA GLU A 102 -1.306 0.951 13.195 1.00 0.00 C ATOM 1561 C GLU A 102 -1.974 -0.366 12.796 1.00 0.00 C ATOM 1562 O GLU A 102 -1.300 -1.304 12.371 1.00 0.00 O ATOM 1563 CB GLU A 102 -0.821 0.903 14.646 1.00 0.00 C ATOM 1564 CG GLU A 102 0.254 1.961 14.900 1.00 0.00 C ATOM 1565 CD GLU A 102 0.854 1.807 16.299 1.00 0.00 C ATOM 1566 OE1 GLU A 102 1.712 0.910 16.453 1.00 0.00 O ATOM 1567 OE2 GLU A 102 0.443 2.589 17.183 1.00 0.00 O ATOM 0 H GLU A 102 -2.480 2.564 13.837 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.433 1.100 12.560 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -1.662 1.065 15.320 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.422 -0.087 14.867 1.00 0.00 H new ATOM 0 HG2 GLU A 102 1.041 1.872 14.151 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.177 2.956 14.793 1.00 0.00 H new ATOM 1574 N ALA A 103 -3.290 -0.395 12.946 1.00 0.00 N ATOM 1575 CA ALA A 103 -4.056 -1.582 12.606 1.00 0.00 C ATOM 1576 C ALA A 103 -4.060 -1.763 11.087 1.00 0.00 C ATOM 1577 O ALA A 103 -3.485 -2.720 10.571 1.00 0.00 O ATOM 1578 CB ALA A 103 -5.468 -1.460 13.182 1.00 0.00 C ATOM 0 H ALA A 103 -3.845 0.385 13.298 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.601 -2.471 13.043 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -6.043 -2.350 12.927 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -5.412 -1.362 14.266 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.957 -0.580 12.764 1.00 0.00 H new ATOM 1584 N GLU A 104 -4.715 -0.829 10.413 1.00 0.00 N ATOM 1585 CA GLU A 104 -4.801 -0.874 8.963 1.00 0.00 C ATOM 1586 C GLU A 104 -3.473 -1.346 8.367 1.00 0.00 C ATOM 1587 O GLU A 104 -3.453 -2.221 7.503 1.00 0.00 O ATOM 1588 CB GLU A 104 -5.204 0.488 8.395 1.00 0.00 C ATOM 1589 CG GLU A 104 -5.337 0.430 6.872 1.00 0.00 C ATOM 1590 CD GLU A 104 -6.768 0.749 6.434 1.00 0.00 C ATOM 1591 OE1 GLU A 104 -7.643 -0.108 6.686 1.00 0.00 O ATOM 1592 OE2 GLU A 104 -6.955 1.842 5.858 1.00 0.00 O ATOM 0 H GLU A 104 -5.191 -0.037 10.844 1.00 0.00 H new ATOM 0 HA GLU A 104 -5.576 -1.589 8.686 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.150 0.804 8.834 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.460 1.235 8.670 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.647 1.139 6.416 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.056 -0.561 6.516 1.00 0.00 H new ATOM 1599 N MET A 105 -2.396 -0.745 8.852 1.00 0.00 N ATOM 1600 CA MET A 105 -1.068 -1.092 8.377 1.00 0.00 C ATOM 1601 C MET A 105 -0.740 -2.554 8.688 1.00 0.00 C ATOM 1602 O MET A 105 -0.658 -3.382 7.783 1.00 0.00 O ATOM 1603 CB MET A 105 -0.033 -0.184 9.044 1.00 0.00 C ATOM 1604 CG MET A 105 1.376 -0.490 8.534 1.00 0.00 C ATOM 1605 SD MET A 105 2.018 -1.942 9.350 1.00 0.00 S ATOM 1606 CE MET A 105 3.274 -1.193 10.373 1.00 0.00 C ATOM 0 H MET A 105 -2.417 -0.020 9.569 1.00 0.00 H new ATOM 0 HA MET A 105 -1.042 -0.954 7.296 1.00 0.00 H new ATOM 0 HB2 MET A 105 -0.277 0.859 8.844 1.00 0.00 H new ATOM 0 HB3 MET A 105 -0.069 -0.318 10.125 1.00 0.00 H new ATOM 0 HG2 MET A 105 1.355 -0.648 7.456 1.00 0.00 H new ATOM 0 HG3 MET A 105 2.032 0.361 8.719 1.00 0.00 H new ATOM 0 HE1 MET A 105 3.754 -1.960 10.981 1.00 0.00 H new ATOM 0 HE2 MET A 105 4.020 -0.713 9.740 1.00 0.00 H new ATOM 0 HE3 MET A 105 2.817 -0.448 11.024 1.00 0.00 H new ATOM 1616 N SER A 106 -0.560 -2.826 9.973 1.00 0.00 N ATOM 1617 CA SER A 106 -0.242 -4.174 10.414 1.00 0.00 C ATOM 1618 C SER A 106 -0.971 -5.196 9.540 1.00 0.00 C ATOM 1619 O SER A 106 -0.369 -6.165 9.079 1.00 0.00 O ATOM 1620 CB SER A 106 -0.613 -4.373 11.885 1.00 0.00 C ATOM 1621 OG SER A 106 0.216 -5.344 12.518 1.00 0.00 O ATOM 0 H SER A 106 -0.628 -2.137 10.722 1.00 0.00 H new ATOM 0 HA SER A 106 0.833 -4.322 10.315 1.00 0.00 H new ATOM 0 HB2 SER A 106 -0.526 -3.423 12.412 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.655 -4.684 11.957 1.00 0.00 H new ATOM 0 HG SER A 106 -0.051 -5.441 13.456 1.00 0.00 H new ATOM 1627 N SER A 107 -2.256 -4.946 9.339 1.00 0.00 N ATOM 1628 CA SER A 107 -3.073 -5.833 8.528 1.00 0.00 C ATOM 1629 C SER A 107 -2.480 -5.952 7.122 1.00 0.00 C ATOM 1630 O SER A 107 -2.254 -7.057 6.631 1.00 0.00 O ATOM 1631 CB SER A 107 -4.518 -5.337 8.454 1.00 0.00 C ATOM 1632 OG SER A 107 -5.425 -6.241 9.079 1.00 0.00 O ATOM 0 H SER A 107 -2.752 -4.142 9.724 1.00 0.00 H new ATOM 0 HA SER A 107 -3.079 -6.817 8.997 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.591 -4.361 8.933 1.00 0.00 H new ATOM 0 HB3 SER A 107 -4.802 -5.202 7.410 1.00 0.00 H new ATOM 0 HG SER A 107 -6.337 -5.888 9.012 1.00 0.00 H new ATOM 1638 N TRP A 108 -2.245 -4.798 6.515 1.00 0.00 N ATOM 1639 CA TRP A 108 -1.683 -4.759 5.176 1.00 0.00 C ATOM 1640 C TRP A 108 -0.486 -5.711 5.137 1.00 0.00 C ATOM 1641 O TRP A 108 -0.517 -6.725 4.442 1.00 0.00 O ATOM 1642 CB TRP A 108 -1.321 -3.327 4.775 1.00 0.00 C ATOM 1643 CG TRP A 108 -2.459 -2.566 4.092 1.00 0.00 C ATOM 1644 CD1 TRP A 108 -3.138 -1.507 4.554 1.00 0.00 C ATOM 1645 CD2 TRP A 108 -3.026 -2.849 2.795 1.00 0.00 C ATOM 1646 NE1 TRP A 108 -4.097 -1.089 3.654 1.00 0.00 N ATOM 1647 CE2 TRP A 108 -4.027 -1.931 2.551 1.00 0.00 C ATOM 1648 CE3 TRP A 108 -2.704 -3.848 1.860 1.00 0.00 C ATOM 1649 CZ2 TRP A 108 -4.787 -1.921 1.375 1.00 0.00 C ATOM 1650 CZ3 TRP A 108 -3.473 -3.824 0.690 1.00 0.00 C ATOM 1651 CH2 TRP A 108 -4.484 -2.907 0.429 1.00 0.00 C ATOM 0 H TRP A 108 -2.433 -3.884 6.926 1.00 0.00 H new ATOM 0 HA TRP A 108 -2.416 -5.091 4.441 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -1.013 -2.778 5.665 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -0.462 -3.354 4.105 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -2.957 -1.039 5.511 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -4.739 -0.306 3.776 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -1.925 -4.576 2.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -5.565 -1.191 1.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -3.266 -4.571 -0.062 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -5.033 -2.955 -0.500 1.00 0.00 H new ATOM 1662 N LEU A 109 0.541 -5.350 5.892 1.00 0.00 N ATOM 1663 CA LEU A 109 1.746 -6.160 5.953 1.00 0.00 C ATOM 1664 C LEU A 109 1.359 -7.637 6.051 1.00 0.00 C ATOM 1665 O LEU A 109 1.880 -8.469 5.311 1.00 0.00 O ATOM 1666 CB LEU A 109 2.654 -5.685 7.089 1.00 0.00 C ATOM 1667 CG LEU A 109 3.488 -4.434 6.804 1.00 0.00 C ATOM 1668 CD1 LEU A 109 4.764 -4.789 6.038 1.00 0.00 C ATOM 1669 CD2 LEU A 109 2.657 -3.376 6.075 1.00 0.00 C ATOM 0 H LEU A 109 0.564 -4.508 6.467 1.00 0.00 H new ATOM 0 HA LEU A 109 2.330 -6.044 5.040 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.035 -5.493 7.966 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.332 -6.498 7.349 1.00 0.00 H new ATOM 0 HG LEU A 109 3.794 -4.003 7.757 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.339 -3.882 5.848 1.00 0.00 H new ATOM 0 HD12 LEU A 109 5.363 -5.481 6.630 1.00 0.00 H new ATOM 0 HD13 LEU A 109 4.501 -5.257 5.089 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.273 -2.497 5.884 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.301 -3.782 5.128 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.804 -3.094 6.692 1.00 0.00 H new ATOM 1681 N ARG A 110 0.447 -7.916 6.971 1.00 0.00 N ATOM 1682 CA ARG A 110 -0.016 -9.278 7.176 1.00 0.00 C ATOM 1683 C ARG A 110 -0.628 -9.830 5.887 1.00 0.00 C ATOM 1684 O ARG A 110 -0.452 -11.005 5.566 1.00 0.00 O ATOM 1685 CB ARG A 110 -1.058 -9.343 8.295 1.00 0.00 C ATOM 1686 CG ARG A 110 -1.794 -10.684 8.281 1.00 0.00 C ATOM 1687 CD ARG A 110 -2.737 -10.804 9.480 1.00 0.00 C ATOM 1688 NE ARG A 110 -2.902 -12.226 9.854 1.00 0.00 N ATOM 1689 CZ ARG A 110 -2.010 -12.922 10.573 1.00 0.00 C ATOM 1690 NH1 ARG A 110 -0.886 -12.331 11.000 1.00 0.00 N ATOM 1691 NH2 ARG A 110 -2.243 -14.209 10.865 1.00 0.00 N ATOM 0 H ARG A 110 0.017 -7.222 7.582 1.00 0.00 H new ATOM 0 HA ARG A 110 0.846 -9.882 7.461 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.570 -9.202 9.260 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.774 -8.530 8.178 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -2.362 -10.782 7.356 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -1.071 -11.500 8.299 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.338 -10.241 10.324 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -3.706 -10.369 9.236 1.00 0.00 H new ATOM 0 HE ARG A 110 -3.747 -12.707 9.546 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -0.709 -11.351 10.778 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -0.207 -12.861 11.547 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.099 -14.659 10.540 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -1.564 -14.739 11.412 1.00 0.00 H new ATOM 1705 N VAL A 111 -1.333 -8.957 5.183 1.00 0.00 N ATOM 1706 CA VAL A 111 -1.971 -9.342 3.936 1.00 0.00 C ATOM 1707 C VAL A 111 -0.916 -9.420 2.830 1.00 0.00 C ATOM 1708 O VAL A 111 -0.718 -10.474 2.229 1.00 0.00 O ATOM 1709 CB VAL A 111 -3.109 -8.374 3.609 1.00 0.00 C ATOM 1710 CG1 VAL A 111 -3.921 -8.866 2.409 1.00 0.00 C ATOM 1711 CG2 VAL A 111 -4.009 -8.154 4.827 1.00 0.00 C ATOM 0 H VAL A 111 -1.476 -7.984 5.453 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.420 -10.331 4.027 1.00 0.00 H new ATOM 0 HB VAL A 111 -2.666 -7.415 3.342 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.724 -8.159 2.198 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.271 -8.947 1.538 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -4.348 -9.843 2.635 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.810 -7.462 4.567 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -4.439 -9.106 5.138 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -3.420 -7.737 5.644 1.00 0.00 H new ATOM 1721 N VAL A 112 -0.267 -8.288 2.596 1.00 0.00 N ATOM 1722 CA VAL A 112 0.763 -8.215 1.573 1.00 0.00 C ATOM 1723 C VAL A 112 1.698 -9.418 1.710 1.00 0.00 C ATOM 1724 O VAL A 112 2.169 -9.959 0.710 1.00 0.00 O ATOM 1725 CB VAL A 112 1.495 -6.874 1.664 1.00 0.00 C ATOM 1726 CG1 VAL A 112 2.668 -6.823 0.683 1.00 0.00 C ATOM 1727 CG2 VAL A 112 0.534 -5.707 1.430 1.00 0.00 C ATOM 0 H VAL A 112 -0.434 -7.415 3.097 1.00 0.00 H new ATOM 0 HA VAL A 112 0.319 -8.261 0.579 1.00 0.00 H new ATOM 0 HB VAL A 112 1.897 -6.779 2.673 1.00 0.00 H new ATOM 0 HG11 VAL A 112 3.171 -5.860 0.768 1.00 0.00 H new ATOM 0 HG12 VAL A 112 3.372 -7.622 0.916 1.00 0.00 H new ATOM 0 HG13 VAL A 112 2.297 -6.951 -0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 112 1.080 -4.766 1.500 1.00 0.00 H new ATOM 0 HG22 VAL A 112 0.089 -5.795 0.439 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -0.253 -5.727 2.184 1.00 0.00 H new ATOM 1737 N ASN A 113 1.939 -9.801 2.955 1.00 0.00 N ATOM 1738 CA ASN A 113 2.810 -10.930 3.235 1.00 0.00 C ATOM 1739 C ASN A 113 2.100 -12.226 2.840 1.00 0.00 C ATOM 1740 O ASN A 113 2.729 -13.152 2.329 1.00 0.00 O ATOM 1741 CB ASN A 113 3.146 -11.010 4.725 1.00 0.00 C ATOM 1742 CG ASN A 113 4.419 -10.224 5.044 1.00 0.00 C ATOM 1743 OD1 ASN A 113 5.501 -10.526 4.567 1.00 0.00 O ATOM 1744 ND2 ASN A 113 4.231 -9.203 5.874 1.00 0.00 N ATOM 0 H ASN A 113 1.546 -9.350 3.781 1.00 0.00 H new ATOM 0 HA ASN A 113 3.729 -10.796 2.665 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.315 -10.616 5.310 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.275 -12.052 5.017 1.00 0.00 H new ATOM 0 HD21 ASN A 113 5.019 -8.617 6.148 1.00 0.00 H new ATOM 0 HD22 ASN A 113 3.298 -9.006 6.237 1.00 0.00 H new ATOM 1751 N ALA A 114 0.799 -12.252 3.092 1.00 0.00 N ATOM 1752 CA ALA A 114 -0.003 -13.420 2.769 1.00 0.00 C ATOM 1753 C ALA A 114 -0.090 -13.569 1.249 1.00 0.00 C ATOM 1754 O ALA A 114 -0.451 -14.632 0.746 1.00 0.00 O ATOM 1755 CB ALA A 114 -1.381 -13.289 3.422 1.00 0.00 C ATOM 0 H ALA A 114 0.281 -11.483 3.516 1.00 0.00 H new ATOM 0 HA ALA A 114 0.460 -14.325 3.163 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.983 -14.165 3.180 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -1.266 -13.215 4.503 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -1.877 -12.393 3.048 1.00 0.00 H new ATOM 1761 N ALA A 115 0.248 -12.489 0.560 1.00 0.00 N ATOM 1762 CA ALA A 115 0.213 -12.486 -0.893 1.00 0.00 C ATOM 1763 C ALA A 115 1.594 -12.864 -1.433 1.00 0.00 C ATOM 1764 O ALA A 115 1.700 -13.587 -2.422 1.00 0.00 O ATOM 1765 CB ALA A 115 -0.253 -11.116 -1.390 1.00 0.00 C ATOM 0 H ALA A 115 0.548 -11.610 0.981 1.00 0.00 H new ATOM 0 HA ALA A 115 -0.498 -13.225 -1.261 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.279 -11.114 -2.480 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.250 -10.908 -1.003 1.00 0.00 H new ATOM 0 HB3 ALA A 115 0.438 -10.348 -1.042 1.00 0.00 H new ATOM 1771 N ILE A 116 2.616 -12.358 -0.759 1.00 0.00 N ATOM 1772 CA ILE A 116 3.985 -12.634 -1.158 1.00 0.00 C ATOM 1773 C ILE A 116 4.259 -14.133 -1.026 1.00 0.00 C ATOM 1774 O ILE A 116 4.655 -14.783 -1.992 1.00 0.00 O ATOM 1775 CB ILE A 116 4.961 -11.759 -0.368 1.00 0.00 C ATOM 1776 CG1 ILE A 116 4.882 -10.300 -0.825 1.00 0.00 C ATOM 1777 CG2 ILE A 116 6.385 -12.310 -0.453 1.00 0.00 C ATOM 1778 CD1 ILE A 116 5.571 -9.374 0.179 1.00 0.00 C ATOM 0 H ILE A 116 2.523 -11.758 0.061 1.00 0.00 H new ATOM 0 HA ILE A 116 4.135 -12.373 -2.206 1.00 0.00 H new ATOM 0 HB ILE A 116 4.669 -11.784 0.682 1.00 0.00 H new ATOM 0 HG12 ILE A 116 5.351 -10.195 -1.803 1.00 0.00 H new ATOM 0 HG13 ILE A 116 3.838 -10.007 -0.939 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.058 -11.669 0.117 1.00 0.00 H new ATOM 0 HG22 ILE A 116 6.410 -13.319 -0.042 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.704 -12.335 -1.495 1.00 0.00 H new ATOM 0 HD11 ILE A 116 5.501 -8.343 -0.169 1.00 0.00 H new ATOM 0 HD12 ILE A 116 5.084 -9.463 1.150 1.00 0.00 H new ATOM 0 HD13 ILE A 116 6.620 -9.655 0.272 1.00 0.00 H new ATOM 1790 N ALA A 117 4.037 -14.639 0.178 1.00 0.00 N ATOM 1791 CA ALA A 117 4.254 -16.050 0.450 1.00 0.00 C ATOM 1792 C ALA A 117 3.496 -16.886 -0.583 1.00 0.00 C ATOM 1793 O ALA A 117 4.050 -17.825 -1.154 1.00 0.00 O ATOM 1794 CB ALA A 117 3.826 -16.366 1.884 1.00 0.00 C ATOM 0 H ALA A 117 3.709 -14.097 0.977 1.00 0.00 H new ATOM 0 HA ALA A 117 5.312 -16.299 0.364 1.00 0.00 H new ATOM 0 HB1 ALA A 117 3.989 -17.424 2.087 1.00 0.00 H new ATOM 0 HB2 ALA A 117 4.415 -15.768 2.580 1.00 0.00 H new ATOM 0 HB3 ALA A 117 2.769 -16.131 2.008 1.00 0.00 H new ATOM 1800 N SER A 118 2.242 -16.515 -0.793 1.00 0.00 N ATOM 1801 CA SER A 118 1.403 -17.219 -1.747 1.00 0.00 C ATOM 1802 C SER A 118 1.740 -16.772 -3.171 1.00 0.00 C ATOM 1803 O SER A 118 0.860 -16.347 -3.917 1.00 0.00 O ATOM 1804 CB SER A 118 -0.081 -16.983 -1.455 1.00 0.00 C ATOM 1805 OG SER A 118 -0.621 -17.984 -0.596 1.00 0.00 O ATOM 0 H SER A 118 1.786 -15.735 -0.318 1.00 0.00 H new ATOM 0 HA SER A 118 1.600 -18.287 -1.652 1.00 0.00 H new ATOM 0 HB2 SER A 118 -0.209 -16.003 -0.995 1.00 0.00 H new ATOM 0 HB3 SER A 118 -0.638 -16.970 -2.392 1.00 0.00 H new ATOM 0 HG SER A 118 -1.569 -17.798 -0.432 1.00 0.00 H new ATOM 1811 N GLY A 119 3.018 -16.883 -3.504 1.00 0.00 N ATOM 1812 CA GLY A 119 3.483 -16.496 -4.825 1.00 0.00 C ATOM 1813 C GLY A 119 3.917 -17.720 -5.634 1.00 0.00 C ATOM 1814 O GLY A 119 3.588 -18.851 -5.280 1.00 0.00 O ATOM 0 H GLY A 119 3.745 -17.235 -2.882 1.00 0.00 H new ATOM 0 HA2 GLY A 119 2.689 -15.969 -5.354 1.00 0.00 H new ATOM 0 HA3 GLY A 119 4.319 -15.802 -4.732 1.00 0.00 H new ATOM 1818 N PRO A 120 4.668 -17.444 -6.734 1.00 0.00 N ATOM 1819 CA PRO A 120 5.150 -18.510 -7.597 1.00 0.00 C ATOM 1820 C PRO A 120 6.315 -19.257 -6.946 1.00 0.00 C ATOM 1821 O PRO A 120 7.375 -18.679 -6.712 1.00 0.00 O ATOM 1822 CB PRO A 120 5.538 -17.820 -8.895 1.00 0.00 C ATOM 1823 CG PRO A 120 5.697 -16.348 -8.553 1.00 0.00 C ATOM 1824 CD PRO A 120 5.076 -16.117 -7.184 1.00 0.00 C ATOM 0 HA PRO A 120 4.397 -19.277 -7.779 1.00 0.00 H new ATOM 0 HB2 PRO A 120 6.466 -18.231 -9.294 1.00 0.00 H new ATOM 0 HB3 PRO A 120 4.772 -17.963 -9.658 1.00 0.00 H new ATOM 0 HG2 PRO A 120 6.751 -16.070 -8.546 1.00 0.00 H new ATOM 0 HG3 PRO A 120 5.208 -15.727 -9.304 1.00 0.00 H new ATOM 0 HD2 PRO A 120 5.792 -15.668 -6.495 1.00 0.00 H new ATOM 0 HD3 PRO A 120 4.224 -15.440 -7.245 1.00 0.00 H new ATOM 1832 N SER A 121 6.079 -20.532 -6.671 1.00 0.00 N ATOM 1833 CA SER A 121 7.096 -21.365 -6.051 1.00 0.00 C ATOM 1834 C SER A 121 8.320 -21.462 -6.963 1.00 0.00 C ATOM 1835 O SER A 121 8.271 -21.046 -8.120 1.00 0.00 O ATOM 1836 CB SER A 121 6.551 -22.761 -5.743 1.00 0.00 C ATOM 1837 OG SER A 121 6.992 -23.238 -4.474 1.00 0.00 O ATOM 0 H SER A 121 5.198 -21.008 -6.866 1.00 0.00 H new ATOM 0 HA SER A 121 7.389 -20.903 -5.108 1.00 0.00 H new ATOM 0 HB2 SER A 121 5.461 -22.737 -5.763 1.00 0.00 H new ATOM 0 HB3 SER A 121 6.869 -23.454 -6.522 1.00 0.00 H new ATOM 0 HG SER A 121 6.622 -24.131 -4.313 1.00 0.00 H new ATOM 1843 N SER A 122 9.389 -22.014 -6.408 1.00 0.00 N ATOM 1844 CA SER A 122 10.624 -22.171 -7.158 1.00 0.00 C ATOM 1845 C SER A 122 11.298 -20.811 -7.347 1.00 0.00 C ATOM 1846 O SER A 122 12.417 -20.598 -6.883 1.00 0.00 O ATOM 1847 CB SER A 122 10.365 -22.829 -8.515 1.00 0.00 C ATOM 1848 OG SER A 122 11.407 -23.730 -8.879 1.00 0.00 O ATOM 0 H SER A 122 9.426 -22.358 -5.448 1.00 0.00 H new ATOM 0 HA SER A 122 11.288 -22.822 -6.590 1.00 0.00 H new ATOM 0 HB2 SER A 122 9.417 -23.366 -8.483 1.00 0.00 H new ATOM 0 HB3 SER A 122 10.269 -22.058 -9.279 1.00 0.00 H new ATOM 0 HG SER A 122 11.204 -24.131 -9.750 1.00 0.00 H new ATOM 1854 N GLY A 123 10.588 -19.924 -8.030 1.00 0.00 N ATOM 1855 CA GLY A 123 11.103 -18.590 -8.287 1.00 0.00 C ATOM 1856 C GLY A 123 11.408 -18.397 -9.773 1.00 0.00 C ATOM 1857 O GLY A 123 10.501 -18.408 -10.603 1.00 0.00 O ATOM 0 H GLY A 123 9.660 -20.104 -8.413 1.00 0.00 H new ATOM 0 HA2 GLY A 123 10.375 -17.847 -7.962 1.00 0.00 H new ATOM 0 HA3 GLY A 123 12.008 -18.427 -7.702 1.00 0.00 H new TER 1861 GLY A 123