USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 875 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 82 GLN : amide:sc= 0.216 X(o=0.45,f=0.85) USER MOD Set 1.2: A 87 SER OG : rot 180:sc= 0.235 USER MOD Set 2.1: A 29 SER OG : rot 180:sc= -0.724 USER MOD Set 2.2: A 52 HIS : no HE2:sc= -0.148 K(o=-0.87,f=-5.3!) USER MOD Set 3.1: A 17 HIS : no HE2:sc= 1.16 K(o=-3,f=-8.7!) USER MOD Set 3.2: A 62 THR OG1 : rot -30:sc= -4.18! USER MOD Set 4.1: A 15 ASN : amide:sc= -0.147 X(o=-0.15,f=-0.22) USER MOD Set 4.2: A 16 SER OG : rot 180:sc= 0 USER MOD Set 5.1: A 1 MET N :NH3+ -174:sc= 1.55 (180deg=0.487) USER MOD Set 5.2: A 60 ASN : amide:sc= -0.799! C(o=0.75!,f=-4.7!) USER MOD Single : A 1 MET CE :methyl -143:sc= -4.05! (180deg=-9.11!) USER MOD Single : A 6 TYR OH : rot -110:sc= 0.0816 USER MOD Single : A 8 SER OG : rot 20:sc= 0.783 USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.733! C(o=-0.73!,f=-4!) USER MOD Single : A 19 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.65 X(o=-1.6,f=-1.3) USER MOD Single : A 23 GLN : amide:sc=-0.00222 X(o=-0.0022,f=-0.47) USER MOD Single : A 32 ASN : amide:sc= 0.329 X(o=0.33,f=-0.0036) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -1.13 K(o=-1.1,f=-2.1) USER MOD Single : A 36 TYR OH : rot 30:sc= -0.219 USER MOD Single : A 37 SER OG : rot -44:sc= 0.0356 USER MOD Single : A 40 HIS : no HD1:sc= -0.0284 X(o=-0.028,f=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc=-0.00779 X(o=-0.0078,f=-0.0078) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -56:sc= 1.18 USER MOD Single : A 76 TYR OH : rot 30:sc= -0.0994 USER MOD Single : A 79 GLN : amide:sc= -0.958 K(o=-0.96,f=-0.002) USER MOD Single : A 83 THR OG1 : rot -90:sc= 1.43 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 149:sc= -0.021 (180deg=-0.79) USER MOD Single : A 91 TYR OH : rot -152:sc= 0.662 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -3.07! K(o=-3.1!,f=-1.2) USER MOD Single : A 101 LYS NZ :NH3+ -162:sc= -0.0574 (180deg=-0.379) USER MOD Single : A 105 SER OG : rot 25:sc= 1.17 USER MOD Single : A 113 LYS NZ :NH3+ -109:sc= 0.283 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.711 1.798 -12.955 1.00 0.00 N ATOM 2 CA MET A 1 5.473 2.410 -11.632 1.00 0.00 C ATOM 3 C MET A 1 5.080 1.314 -10.643 1.00 0.00 C ATOM 4 O MET A 1 4.402 0.361 -11.023 1.00 0.00 O ATOM 5 CB MET A 1 4.378 3.461 -11.732 1.00 0.00 C ATOM 6 CG MET A 1 4.564 4.622 -10.771 1.00 0.00 C ATOM 7 SD MET A 1 4.228 4.161 -9.075 1.00 0.00 S ATOM 8 CE MET A 1 2.581 3.518 -9.298 1.00 0.00 C ATOM 0 H1 MET A 1 6.077 2.518 -13.610 1.00 0.00 H new ATOM 0 H2 MET A 1 6.406 1.030 -12.862 1.00 0.00 H new ATOM 0 H3 MET A 1 4.818 1.415 -13.326 1.00 0.00 H new ATOM 0 HA MET A 1 6.381 2.901 -11.282 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.346 3.845 -12.752 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.414 2.990 -11.538 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.585 4.994 -10.848 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.904 5.440 -11.060 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.968 3.780 -8.435 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.142 3.947 -10.199 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.624 2.433 -9.397 1.00 0.00 H new ATOM 20 N ARG A 2 5.502 1.422 -9.391 1.00 0.00 N ATOM 21 CA ARG A 2 5.213 0.384 -8.410 1.00 0.00 C ATOM 22 C ARG A 2 4.486 0.933 -7.190 1.00 0.00 C ATOM 23 O ARG A 2 4.869 1.954 -6.617 1.00 0.00 O ATOM 24 CB ARG A 2 6.501 -0.315 -7.993 1.00 0.00 C ATOM 25 CG ARG A 2 6.812 -1.538 -8.837 1.00 0.00 C ATOM 26 CD ARG A 2 8.230 -2.032 -8.617 1.00 0.00 C ATOM 27 NE ARG A 2 9.211 -1.181 -9.283 1.00 0.00 N ATOM 28 CZ ARG A 2 10.433 -1.583 -9.626 1.00 0.00 C ATOM 29 NH1 ARG A 2 10.856 -2.802 -9.311 1.00 0.00 N ATOM 30 NH2 ARG A 2 11.236 -0.762 -10.286 1.00 0.00 N ATOM 0 H ARG A 2 6.041 2.210 -9.032 1.00 0.00 H new ATOM 0 HA ARG A 2 4.547 -0.338 -8.882 1.00 0.00 H new ATOM 0 HB2 ARG A 2 7.330 0.389 -8.065 1.00 0.00 H new ATOM 0 HB3 ARG A 2 6.425 -0.612 -6.947 1.00 0.00 H new ATOM 0 HG2 ARG A 2 6.108 -2.335 -8.595 1.00 0.00 H new ATOM 0 HG3 ARG A 2 6.671 -1.297 -9.891 1.00 0.00 H new ATOM 0 HD2 ARG A 2 8.442 -2.063 -7.548 1.00 0.00 H new ATOM 0 HD3 ARG A 2 8.321 -3.052 -8.990 1.00 0.00 H new ATOM 0 HE ARG A 2 8.944 -0.220 -9.499 1.00 0.00 H new ATOM 0 HH11 ARG A 2 10.243 -3.439 -8.802 1.00 0.00 H new ATOM 0 HH12 ARG A 2 11.794 -3.101 -9.578 1.00 0.00 H new ATOM 0 HH21 ARG A 2 10.918 0.176 -10.530 1.00 0.00 H new ATOM 0 HH22 ARG A 2 12.173 -1.068 -10.550 1.00 0.00 H new ATOM 44 N ILE A 3 3.439 0.228 -6.788 1.00 0.00 N ATOM 45 CA ILE A 3 2.601 0.666 -5.686 1.00 0.00 C ATOM 46 C ILE A 3 2.263 -0.511 -4.770 1.00 0.00 C ATOM 47 O ILE A 3 2.175 -1.658 -5.216 1.00 0.00 O ATOM 48 CB ILE A 3 1.300 1.326 -6.208 1.00 0.00 C ATOM 49 CG1 ILE A 3 0.492 1.926 -5.052 1.00 0.00 C ATOM 50 CG2 ILE A 3 0.459 0.316 -6.983 1.00 0.00 C ATOM 51 CD1 ILE A 3 -0.768 2.644 -5.490 1.00 0.00 C ATOM 0 H ILE A 3 3.150 -0.654 -7.212 1.00 0.00 H new ATOM 0 HA ILE A 3 3.158 1.409 -5.114 1.00 0.00 H new ATOM 0 HB ILE A 3 1.577 2.134 -6.885 1.00 0.00 H new ATOM 0 HG12 ILE A 3 0.222 1.129 -4.359 1.00 0.00 H new ATOM 0 HG13 ILE A 3 1.124 2.625 -4.504 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.450 0.799 -7.341 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.031 -0.058 -7.833 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.195 -0.515 -6.329 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.284 3.040 -4.615 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -0.506 3.464 -6.159 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.422 1.945 -6.011 1.00 0.00 H new ATOM 63 N PHE A 4 2.108 -0.223 -3.489 1.00 0.00 N ATOM 64 CA PHE A 4 1.740 -1.234 -2.515 1.00 0.00 C ATOM 65 C PHE A 4 0.222 -1.252 -2.363 1.00 0.00 C ATOM 66 O PHE A 4 -0.370 -0.289 -1.877 1.00 0.00 O ATOM 67 CB PHE A 4 2.426 -0.927 -1.179 1.00 0.00 C ATOM 68 CG PHE A 4 2.200 -1.950 -0.105 1.00 0.00 C ATOM 69 CD1 PHE A 4 2.912 -3.139 -0.103 1.00 0.00 C ATOM 70 CD2 PHE A 4 1.287 -1.717 0.911 1.00 0.00 C ATOM 71 CE1 PHE A 4 2.719 -4.074 0.892 1.00 0.00 C ATOM 72 CE2 PHE A 4 1.089 -2.651 1.909 1.00 0.00 C ATOM 73 CZ PHE A 4 1.808 -3.830 1.899 1.00 0.00 C ATOM 0 H PHE A 4 2.233 0.711 -3.098 1.00 0.00 H new ATOM 0 HA PHE A 4 2.067 -2.219 -2.849 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.498 -0.832 -1.351 1.00 0.00 H new ATOM 0 HB3 PHE A 4 2.074 0.040 -0.820 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.626 -3.335 -0.889 1.00 0.00 H new ATOM 0 HD2 PHE A 4 0.724 -0.795 0.923 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.280 -4.997 0.883 1.00 0.00 H new ATOM 0 HE2 PHE A 4 0.374 -2.460 2.695 1.00 0.00 H new ATOM 0 HZ PHE A 4 1.657 -4.561 2.679 1.00 0.00 H new ATOM 83 N VAL A 5 -0.406 -2.331 -2.806 1.00 0.00 N ATOM 84 CA VAL A 5 -1.858 -2.414 -2.809 1.00 0.00 C ATOM 85 C VAL A 5 -2.367 -3.128 -1.562 1.00 0.00 C ATOM 86 O VAL A 5 -1.937 -4.233 -1.242 1.00 0.00 O ATOM 87 CB VAL A 5 -2.382 -3.134 -4.071 1.00 0.00 C ATOM 88 CG1 VAL A 5 -3.903 -3.192 -4.068 1.00 0.00 C ATOM 89 CG2 VAL A 5 -1.875 -2.440 -5.329 1.00 0.00 C ATOM 0 H VAL A 5 0.066 -3.160 -3.167 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.237 -1.392 -2.812 1.00 0.00 H new ATOM 0 HB VAL A 5 -2.003 -4.156 -4.063 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -4.249 -3.703 -4.966 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.245 -3.735 -3.187 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.306 -2.179 -4.049 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.253 -2.960 -6.209 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.223 -1.407 -5.340 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.785 -2.456 -5.339 1.00 0.00 H new ATOM 99 N TYR A 6 -3.282 -2.474 -0.865 1.00 0.00 N ATOM 100 CA TYR A 6 -3.840 -3.006 0.370 1.00 0.00 C ATOM 101 C TYR A 6 -5.356 -2.826 0.393 1.00 0.00 C ATOM 102 O TYR A 6 -6.090 -3.738 0.748 1.00 0.00 O ATOM 103 CB TYR A 6 -3.189 -2.326 1.587 1.00 0.00 C ATOM 104 CG TYR A 6 -3.091 -0.819 1.460 1.00 0.00 C ATOM 105 CD1 TYR A 6 -2.042 -0.236 0.759 1.00 0.00 C ATOM 106 CD2 TYR A 6 -4.053 0.017 2.012 1.00 0.00 C ATOM 107 CE1 TYR A 6 -1.953 1.132 0.615 1.00 0.00 C ATOM 108 CE2 TYR A 6 -3.972 1.387 1.864 1.00 0.00 C ATOM 109 CZ TYR A 6 -2.922 1.937 1.166 1.00 0.00 C ATOM 110 OH TYR A 6 -2.846 3.297 1.005 1.00 0.00 O ATOM 0 H TYR A 6 -3.658 -1.565 -1.136 1.00 0.00 H new ATOM 0 HA TYR A 6 -3.625 -4.073 0.419 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -3.764 -2.570 2.480 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.189 -2.736 1.730 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -1.283 -0.866 0.319 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -4.876 -0.411 2.565 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -1.127 1.569 0.073 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -4.730 2.025 2.295 1.00 0.00 H new ATOM 0 HH TYR A 6 -2.629 3.716 1.864 1.00 0.00 H new ATOM 120 N GLY A 7 -5.824 -1.652 -0.013 1.00 0.00 N ATOM 121 CA GLY A 7 -7.250 -1.385 -0.016 1.00 0.00 C ATOM 122 C GLY A 7 -7.986 -2.143 -1.105 1.00 0.00 C ATOM 123 O GLY A 7 -8.295 -1.571 -2.150 1.00 0.00 O ATOM 0 H GLY A 7 -5.242 -0.881 -0.340 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -7.668 -1.654 0.954 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.415 -0.316 -0.148 1.00 0.00 H new ATOM 127 N SER A 8 -8.270 -3.426 -0.838 1.00 0.00 N ATOM 128 CA SER A 8 -8.952 -4.327 -1.777 1.00 0.00 C ATOM 129 C SER A 8 -8.304 -4.312 -3.164 1.00 0.00 C ATOM 130 O SER A 8 -8.597 -3.451 -3.992 1.00 0.00 O ATOM 131 CB SER A 8 -10.456 -4.011 -1.861 1.00 0.00 C ATOM 132 OG SER A 8 -10.700 -2.646 -2.168 1.00 0.00 O ATOM 0 H SER A 8 -8.029 -3.872 0.047 1.00 0.00 H new ATOM 0 HA SER A 8 -8.842 -5.338 -1.385 1.00 0.00 H new ATOM 0 HB2 SER A 8 -10.916 -4.641 -2.622 1.00 0.00 H new ATOM 0 HB3 SER A 8 -10.931 -4.259 -0.912 1.00 0.00 H new ATOM 0 HG SER A 8 -9.897 -2.252 -2.569 1.00 0.00 H new ATOM 138 N LEU A 9 -7.426 -5.288 -3.408 1.00 0.00 N ATOM 139 CA LEU A 9 -6.683 -5.369 -4.667 1.00 0.00 C ATOM 140 C LEU A 9 -7.618 -5.394 -5.876 1.00 0.00 C ATOM 141 O LEU A 9 -7.282 -4.871 -6.935 1.00 0.00 O ATOM 142 CB LEU A 9 -5.763 -6.601 -4.695 1.00 0.00 C ATOM 143 CG LEU A 9 -6.460 -7.965 -4.791 1.00 0.00 C ATOM 144 CD1 LEU A 9 -5.464 -9.035 -5.205 1.00 0.00 C ATOM 145 CD2 LEU A 9 -7.112 -8.344 -3.467 1.00 0.00 C ATOM 0 H LEU A 9 -7.212 -6.035 -2.748 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.069 -4.470 -4.727 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.084 -6.503 -5.542 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -5.151 -6.592 -3.793 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.242 -7.891 -5.547 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.970 -9.998 -5.270 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.041 -8.782 -6.177 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.665 -9.094 -4.466 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -7.598 -9.315 -3.565 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.351 -8.396 -2.688 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.854 -7.592 -3.199 1.00 0.00 H new ATOM 157 N ARG A 10 -8.789 -6.005 -5.715 1.00 0.00 N ATOM 158 CA ARG A 10 -9.786 -6.012 -6.779 1.00 0.00 C ATOM 159 C ARG A 10 -10.243 -4.593 -7.075 1.00 0.00 C ATOM 160 O ARG A 10 -10.065 -4.104 -8.187 1.00 0.00 O ATOM 161 CB ARG A 10 -10.987 -6.883 -6.407 1.00 0.00 C ATOM 162 CG ARG A 10 -10.673 -8.368 -6.370 1.00 0.00 C ATOM 163 CD ARG A 10 -11.929 -9.196 -6.147 1.00 0.00 C ATOM 164 NE ARG A 10 -11.645 -10.629 -6.154 1.00 0.00 N ATOM 165 CZ ARG A 10 -12.547 -11.572 -6.426 1.00 0.00 C ATOM 166 NH1 ARG A 10 -13.798 -11.240 -6.727 1.00 0.00 N ATOM 167 NH2 ARG A 10 -12.187 -12.847 -6.405 1.00 0.00 N ATOM 0 H ARG A 10 -9.068 -6.497 -4.866 1.00 0.00 H new ATOM 0 HA ARG A 10 -9.325 -6.435 -7.671 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -11.360 -6.575 -5.430 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -11.789 -6.707 -7.124 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.201 -8.665 -7.307 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.956 -8.570 -5.574 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -12.381 -8.920 -5.194 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -12.658 -8.967 -6.924 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.694 -10.927 -5.937 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -14.073 -10.258 -6.751 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -14.483 -11.967 -6.934 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -11.225 -13.102 -6.182 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -12.872 -13.574 -6.612 1.00 0.00 H new ATOM 181 N HIS A 11 -10.802 -3.940 -6.058 1.00 0.00 N ATOM 182 CA HIS A 11 -11.281 -2.561 -6.161 1.00 0.00 C ATOM 183 C HIS A 11 -12.355 -2.423 -7.240 1.00 0.00 C ATOM 184 O HIS A 11 -13.548 -2.487 -6.942 1.00 0.00 O ATOM 185 CB HIS A 11 -10.115 -1.599 -6.435 1.00 0.00 C ATOM 186 CG HIS A 11 -10.520 -0.156 -6.492 1.00 0.00 C ATOM 187 ND1 HIS A 11 -10.601 0.562 -7.669 1.00 0.00 N ATOM 188 CD2 HIS A 11 -10.869 0.706 -5.507 1.00 0.00 C ATOM 189 CE1 HIS A 11 -10.982 1.799 -7.403 1.00 0.00 C ATOM 190 NE2 HIS A 11 -11.150 1.911 -6.099 1.00 0.00 N ATOM 0 H HIS A 11 -10.936 -4.353 -5.135 1.00 0.00 H new ATOM 0 HA HIS A 11 -11.732 -2.296 -5.205 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -9.362 -1.725 -5.657 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -9.645 -1.872 -7.380 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -10.917 0.485 -4.451 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -11.131 2.585 -8.129 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -11.442 2.757 -5.610 1.00 0.00 H new ATOM 199 N LYS A 12 -11.916 -2.248 -8.484 1.00 0.00 N ATOM 200 CA LYS A 12 -12.805 -2.065 -9.620 1.00 0.00 C ATOM 201 C LYS A 12 -11.974 -1.757 -10.856 1.00 0.00 C ATOM 202 O LYS A 12 -11.277 -0.739 -10.907 1.00 0.00 O ATOM 203 CB LYS A 12 -13.801 -0.930 -9.365 1.00 0.00 C ATOM 204 CG LYS A 12 -14.955 -0.899 -10.351 1.00 0.00 C ATOM 205 CD LYS A 12 -16.042 0.056 -9.895 1.00 0.00 C ATOM 206 CE LYS A 12 -17.291 -0.080 -10.745 1.00 0.00 C ATOM 207 NZ LYS A 12 -18.415 0.720 -10.197 1.00 0.00 N ATOM 0 H LYS A 12 -10.926 -2.230 -8.730 1.00 0.00 H new ATOM 0 HA LYS A 12 -13.374 -2.982 -9.772 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -14.200 -1.028 -8.355 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -13.272 0.022 -9.408 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -14.590 -0.596 -11.332 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -15.370 -1.901 -10.460 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -16.287 -0.141 -8.851 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -15.674 1.081 -9.948 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -17.076 0.244 -11.763 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -17.583 -1.129 -10.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -19.252 0.603 -10.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -18.636 0.394 -9.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -18.145 1.724 -10.169 1.00 0.00 H new ATOM 221 N GLN A 13 -12.020 -2.649 -11.829 1.00 0.00 N ATOM 222 CA GLN A 13 -11.278 -2.474 -13.066 1.00 0.00 C ATOM 223 C GLN A 13 -12.216 -2.608 -14.261 1.00 0.00 C ATOM 224 O GLN A 13 -13.416 -2.369 -14.141 1.00 0.00 O ATOM 225 CB GLN A 13 -10.110 -3.470 -13.169 1.00 0.00 C ATOM 226 CG GLN A 13 -10.494 -4.943 -13.105 1.00 0.00 C ATOM 227 CD GLN A 13 -11.088 -5.312 -11.770 1.00 0.00 C ATOM 228 OE1 GLN A 13 -12.307 -5.358 -11.604 1.00 0.00 O ATOM 229 NE2 GLN A 13 -10.232 -5.506 -10.793 1.00 0.00 N ATOM 0 H GLN A 13 -12.568 -3.508 -11.786 1.00 0.00 H new ATOM 0 HA GLN A 13 -10.849 -1.472 -13.067 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -9.584 -3.290 -14.107 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -9.406 -3.261 -12.364 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.211 -5.166 -13.895 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.613 -5.556 -13.292 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.230 -5.459 -10.976 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.570 -5.704 -9.851 1.00 0.00 H new ATOM 238 N GLY A 14 -11.670 -2.959 -15.415 1.00 0.00 N ATOM 239 CA GLY A 14 -12.492 -3.144 -16.589 1.00 0.00 C ATOM 240 C GLY A 14 -12.333 -2.020 -17.586 1.00 0.00 C ATOM 241 O GLY A 14 -12.309 -2.254 -18.793 1.00 0.00 O ATOM 0 H GLY A 14 -10.673 -3.119 -15.558 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -12.232 -4.089 -17.066 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -13.538 -3.215 -16.290 1.00 0.00 H new ATOM 245 N ASN A 15 -12.196 -0.803 -17.082 1.00 0.00 N ATOM 246 CA ASN A 15 -12.110 0.369 -17.948 1.00 0.00 C ATOM 247 C ASN A 15 -11.022 1.322 -17.467 1.00 0.00 C ATOM 248 O ASN A 15 -10.348 1.966 -18.270 1.00 0.00 O ATOM 249 CB ASN A 15 -13.462 1.096 -18.012 1.00 0.00 C ATOM 250 CG ASN A 15 -13.815 1.827 -16.725 1.00 0.00 C ATOM 251 OD1 ASN A 15 -13.487 3.001 -16.556 1.00 0.00 O ATOM 252 ND2 ASN A 15 -14.487 1.142 -15.811 1.00 0.00 N ATOM 0 H ASN A 15 -12.142 -0.599 -16.084 1.00 0.00 H new ATOM 0 HA ASN A 15 -11.850 0.028 -18.950 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -13.443 1.811 -18.834 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -14.245 0.372 -18.237 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -14.750 1.587 -14.931 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -14.741 0.170 -15.987 1.00 0.00 H new ATOM 259 N SER A 16 -10.860 1.411 -16.157 1.00 0.00 N ATOM 260 CA SER A 16 -9.860 2.281 -15.568 1.00 0.00 C ATOM 261 C SER A 16 -8.462 1.679 -15.718 1.00 0.00 C ATOM 262 O SER A 16 -8.314 0.506 -16.075 1.00 0.00 O ATOM 263 CB SER A 16 -10.191 2.505 -14.093 1.00 0.00 C ATOM 264 OG SER A 16 -11.566 2.806 -13.932 1.00 0.00 O ATOM 0 H SER A 16 -11.413 0.887 -15.479 1.00 0.00 H new ATOM 0 HA SER A 16 -9.869 3.238 -16.089 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.938 1.614 -13.518 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.586 3.321 -13.698 1.00 0.00 H new ATOM 0 HG SER A 16 -11.761 2.945 -12.982 1.00 0.00 H new ATOM 270 N HIS A 17 -7.446 2.478 -15.416 1.00 0.00 N ATOM 271 CA HIS A 17 -6.046 2.050 -15.508 1.00 0.00 C ATOM 272 C HIS A 17 -5.686 1.028 -14.428 1.00 0.00 C ATOM 273 O HIS A 17 -4.520 0.695 -14.253 1.00 0.00 O ATOM 274 CB HIS A 17 -5.115 3.256 -15.379 1.00 0.00 C ATOM 275 CG HIS A 17 -5.120 4.168 -16.563 1.00 0.00 C ATOM 276 ND1 HIS A 17 -5.333 5.528 -16.469 1.00 0.00 N ATOM 277 CD2 HIS A 17 -4.908 3.912 -17.874 1.00 0.00 C ATOM 278 CE1 HIS A 17 -5.252 6.065 -17.671 1.00 0.00 C ATOM 279 NE2 HIS A 17 -4.994 5.106 -18.540 1.00 0.00 N ATOM 0 H HIS A 17 -7.564 3.441 -15.100 1.00 0.00 H new ATOM 0 HA HIS A 17 -5.920 1.579 -16.483 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -5.399 3.826 -14.495 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -4.098 2.899 -15.215 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -5.523 6.038 -15.606 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -4.708 2.946 -18.314 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.376 7.112 -17.904 1.00 0.00 H new ATOM 288 N TRP A 18 -6.688 0.534 -13.710 1.00 0.00 N ATOM 289 CA TRP A 18 -6.457 -0.399 -12.617 1.00 0.00 C ATOM 290 C TRP A 18 -6.157 -1.799 -13.146 1.00 0.00 C ATOM 291 O TRP A 18 -5.480 -2.591 -12.494 1.00 0.00 O ATOM 292 CB TRP A 18 -7.674 -0.432 -11.686 1.00 0.00 C ATOM 293 CG TRP A 18 -7.397 -1.125 -10.383 1.00 0.00 C ATOM 294 CD1 TRP A 18 -7.989 -2.260 -9.904 1.00 0.00 C ATOM 295 CD2 TRP A 18 -6.436 -0.728 -9.397 1.00 0.00 C ATOM 296 NE1 TRP A 18 -7.460 -2.585 -8.679 1.00 0.00 N ATOM 297 CE2 TRP A 18 -6.504 -1.664 -8.348 1.00 0.00 C ATOM 298 CE3 TRP A 18 -5.520 0.326 -9.298 1.00 0.00 C ATOM 299 CZ2 TRP A 18 -5.699 -1.578 -7.218 1.00 0.00 C ATOM 300 CZ3 TRP A 18 -4.719 0.409 -8.174 1.00 0.00 C ATOM 301 CH2 TRP A 18 -4.812 -0.539 -7.148 1.00 0.00 C ATOM 0 H TRP A 18 -7.669 0.765 -13.867 1.00 0.00 H new ATOM 0 HA TRP A 18 -5.588 -0.057 -12.054 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -8.000 0.589 -11.486 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -8.498 -0.936 -12.191 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -8.760 -2.819 -10.414 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -7.735 -3.384 -8.108 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -5.440 1.061 -10.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -5.771 -2.306 -6.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -4.010 1.219 -8.086 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.171 -0.448 -6.284 1.00 0.00 H new ATOM 312 N MET A 19 -6.666 -2.098 -14.334 1.00 0.00 N ATOM 313 CA MET A 19 -6.431 -3.397 -14.957 1.00 0.00 C ATOM 314 C MET A 19 -5.337 -3.286 -16.007 1.00 0.00 C ATOM 315 O MET A 19 -4.483 -4.161 -16.140 1.00 0.00 O ATOM 316 CB MET A 19 -7.716 -3.919 -15.604 1.00 0.00 C ATOM 317 CG MET A 19 -7.562 -5.283 -16.260 1.00 0.00 C ATOM 318 SD MET A 19 -7.188 -6.589 -15.077 1.00 0.00 S ATOM 319 CE MET A 19 -6.968 -7.984 -16.180 1.00 0.00 C ATOM 0 H MET A 19 -7.243 -1.462 -14.885 1.00 0.00 H new ATOM 0 HA MET A 19 -6.115 -4.097 -14.184 1.00 0.00 H new ATOM 0 HB2 MET A 19 -8.496 -3.977 -14.845 1.00 0.00 H new ATOM 0 HB3 MET A 19 -8.052 -3.202 -16.353 1.00 0.00 H new ATOM 0 HG2 MET A 19 -8.481 -5.532 -16.790 1.00 0.00 H new ATOM 0 HG3 MET A 19 -6.767 -5.235 -17.005 1.00 0.00 H new ATOM 0 HE1 MET A 19 -6.730 -8.874 -15.598 1.00 0.00 H new ATOM 0 HE2 MET A 19 -7.887 -8.152 -16.741 1.00 0.00 H new ATOM 0 HE3 MET A 19 -6.153 -7.775 -16.873 1.00 0.00 H new ATOM 329 N THR A 20 -5.366 -2.191 -16.740 1.00 0.00 N ATOM 330 CA THR A 20 -4.453 -1.985 -17.843 1.00 0.00 C ATOM 331 C THR A 20 -3.095 -1.494 -17.344 1.00 0.00 C ATOM 332 O THR A 20 -3.029 -0.611 -16.491 1.00 0.00 O ATOM 333 CB THR A 20 -5.042 -0.962 -18.828 1.00 0.00 C ATOM 334 OG1 THR A 20 -6.427 -1.262 -19.051 1.00 0.00 O ATOM 335 CG2 THR A 20 -4.295 -0.981 -20.155 1.00 0.00 C ATOM 0 H THR A 20 -6.020 -1.423 -16.588 1.00 0.00 H new ATOM 0 HA THR A 20 -4.311 -2.939 -18.350 1.00 0.00 H new ATOM 0 HB THR A 20 -4.939 0.033 -18.395 1.00 0.00 H new ATOM 0 HG1 THR A 20 -6.806 -0.611 -19.677 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.735 -0.247 -20.831 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.246 -0.736 -19.986 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.369 -1.973 -20.600 1.00 0.00 H new ATOM 343 N ASN A 21 -2.021 -2.098 -17.874 1.00 0.00 N ATOM 344 CA ASN A 21 -0.632 -1.721 -17.558 1.00 0.00 C ATOM 345 C ASN A 21 -0.218 -2.235 -16.182 1.00 0.00 C ATOM 346 O ASN A 21 0.900 -1.984 -15.721 1.00 0.00 O ATOM 347 CB ASN A 21 -0.431 -0.201 -17.609 1.00 0.00 C ATOM 348 CG ASN A 21 -0.973 0.442 -18.874 1.00 0.00 C ATOM 349 OD1 ASN A 21 -0.927 -0.136 -19.962 1.00 0.00 O ATOM 350 ND2 ASN A 21 -1.517 1.642 -18.728 1.00 0.00 N ATOM 0 H ASN A 21 -2.091 -2.868 -18.539 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.004 -2.184 -18.319 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.918 0.251 -16.745 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.633 0.019 -17.527 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.918 2.122 -19.534 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.535 2.086 -17.810 1.00 0.00 H new ATOM 357 N ALA A 22 -1.114 -2.967 -15.542 1.00 0.00 N ATOM 358 CA ALA A 22 -0.876 -3.459 -14.198 1.00 0.00 C ATOM 359 C ALA A 22 -0.472 -4.926 -14.207 1.00 0.00 C ATOM 360 O ALA A 22 -1.064 -5.744 -14.913 1.00 0.00 O ATOM 361 CB ALA A 22 -2.117 -3.260 -13.341 1.00 0.00 C ATOM 0 H ALA A 22 -2.017 -3.234 -15.935 1.00 0.00 H new ATOM 0 HA ALA A 22 -0.051 -2.888 -13.772 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -1.928 -3.633 -12.334 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.361 -2.199 -13.295 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.953 -3.806 -13.779 1.00 0.00 H new ATOM 367 N GLN A 23 0.551 -5.250 -13.433 1.00 0.00 N ATOM 368 CA GLN A 23 0.975 -6.631 -13.263 1.00 0.00 C ATOM 369 C GLN A 23 1.287 -6.908 -11.797 1.00 0.00 C ATOM 370 O GLN A 23 1.795 -6.038 -11.082 1.00 0.00 O ATOM 371 CB GLN A 23 2.197 -6.947 -14.134 1.00 0.00 C ATOM 372 CG GLN A 23 3.435 -6.143 -13.779 1.00 0.00 C ATOM 373 CD GLN A 23 4.653 -6.561 -14.580 1.00 0.00 C ATOM 374 OE1 GLN A 23 4.537 -7.002 -15.721 1.00 0.00 O ATOM 375 NE2 GLN A 23 5.828 -6.419 -13.989 1.00 0.00 N ATOM 0 H GLN A 23 1.106 -4.572 -12.910 1.00 0.00 H new ATOM 0 HA GLN A 23 0.157 -7.278 -13.582 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.428 -8.008 -14.045 1.00 0.00 H new ATOM 0 HB3 GLN A 23 1.944 -6.762 -15.178 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.238 -5.085 -13.951 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.647 -6.259 -12.716 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.880 -6.049 -13.040 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.682 -6.680 -14.482 1.00 0.00 H new ATOM 384 N LEU A 24 0.963 -8.110 -11.349 1.00 0.00 N ATOM 385 CA LEU A 24 1.232 -8.513 -9.978 1.00 0.00 C ATOM 386 C LEU A 24 2.691 -8.911 -9.829 1.00 0.00 C ATOM 387 O LEU A 24 3.217 -9.687 -10.627 1.00 0.00 O ATOM 388 CB LEU A 24 0.323 -9.678 -9.573 1.00 0.00 C ATOM 389 CG LEU A 24 0.568 -10.250 -8.170 1.00 0.00 C ATOM 390 CD1 LEU A 24 0.337 -9.193 -7.101 1.00 0.00 C ATOM 391 CD2 LEU A 24 -0.327 -11.457 -7.927 1.00 0.00 C ATOM 0 H LEU A 24 0.511 -8.826 -11.917 1.00 0.00 H new ATOM 0 HA LEU A 24 1.026 -7.669 -9.320 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.713 -9.346 -9.635 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.445 -10.481 -10.300 1.00 0.00 H new ATOM 0 HG LEU A 24 1.609 -10.568 -8.110 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.518 -9.625 -6.117 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.019 -8.358 -7.261 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.692 -8.837 -7.158 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.142 -11.852 -6.928 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.372 -11.158 -8.011 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.109 -12.227 -8.667 1.00 0.00 H new ATOM 403 N LEU A 25 3.343 -8.358 -8.821 1.00 0.00 N ATOM 404 CA LEU A 25 4.729 -8.687 -8.540 1.00 0.00 C ATOM 405 C LEU A 25 4.796 -9.815 -7.523 1.00 0.00 C ATOM 406 O LEU A 25 5.594 -10.743 -7.658 1.00 0.00 O ATOM 407 CB LEU A 25 5.468 -7.455 -8.019 1.00 0.00 C ATOM 408 CG LEU A 25 5.596 -6.307 -9.019 1.00 0.00 C ATOM 409 CD1 LEU A 25 6.288 -5.120 -8.372 1.00 0.00 C ATOM 410 CD2 LEU A 25 6.350 -6.760 -10.261 1.00 0.00 C ATOM 0 H LEU A 25 2.933 -7.677 -8.182 1.00 0.00 H new ATOM 0 HA LEU A 25 5.211 -9.015 -9.461 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.951 -7.088 -7.132 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.467 -7.756 -7.704 1.00 0.00 H new ATOM 0 HG LEU A 25 4.596 -5.999 -9.324 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.373 -4.309 -9.096 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.705 -4.782 -7.515 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.283 -5.416 -8.040 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.431 -5.928 -10.961 1.00 0.00 H new ATOM 0 HD22 LEU A 25 7.348 -7.095 -9.979 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.812 -7.581 -10.734 1.00 0.00 H new ATOM 422 N GLY A 26 3.959 -9.722 -6.504 1.00 0.00 N ATOM 423 CA GLY A 26 3.866 -10.778 -5.522 1.00 0.00 C ATOM 424 C GLY A 26 3.354 -10.256 -4.205 1.00 0.00 C ATOM 425 O GLY A 26 3.121 -9.055 -4.064 1.00 0.00 O ATOM 0 H GLY A 26 3.339 -8.929 -6.339 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.202 -11.561 -5.888 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.846 -11.232 -5.379 1.00 0.00 H new ATOM 429 N ASP A 27 3.160 -11.146 -3.246 1.00 0.00 N ATOM 430 CA ASP A 27 2.717 -10.735 -1.926 1.00 0.00 C ATOM 431 C ASP A 27 3.879 -10.264 -1.096 1.00 0.00 C ATOM 432 O ASP A 27 5.007 -10.748 -1.212 1.00 0.00 O ATOM 433 CB ASP A 27 1.998 -11.864 -1.194 1.00 0.00 C ATOM 434 CG ASP A 27 1.852 -11.639 0.307 1.00 0.00 C ATOM 435 OD1 ASP A 27 1.171 -10.680 0.719 1.00 0.00 O ATOM 436 OD2 ASP A 27 2.408 -12.446 1.081 1.00 0.00 O ATOM 0 H ASP A 27 3.301 -12.150 -3.356 1.00 0.00 H new ATOM 0 HA ASP A 27 2.015 -9.913 -2.068 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.007 -11.992 -1.629 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.541 -12.794 -1.360 1.00 0.00 H new ATOM 441 N PHE A 28 3.568 -9.325 -0.262 1.00 0.00 N ATOM 442 CA PHE A 28 4.521 -8.755 0.669 1.00 0.00 C ATOM 443 C PHE A 28 3.788 -8.249 1.904 1.00 0.00 C ATOM 444 O PHE A 28 3.383 -7.089 1.978 1.00 0.00 O ATOM 445 CB PHE A 28 5.325 -7.635 0.001 1.00 0.00 C ATOM 446 CG PHE A 28 6.378 -7.018 0.880 1.00 0.00 C ATOM 447 CD1 PHE A 28 7.201 -7.810 1.667 1.00 0.00 C ATOM 448 CD2 PHE A 28 6.547 -5.644 0.912 1.00 0.00 C ATOM 449 CE1 PHE A 28 8.169 -7.240 2.472 1.00 0.00 C ATOM 450 CE2 PHE A 28 7.514 -5.070 1.712 1.00 0.00 C ATOM 451 CZ PHE A 28 8.326 -5.868 2.495 1.00 0.00 C ATOM 0 H PHE A 28 2.635 -8.918 -0.198 1.00 0.00 H new ATOM 0 HA PHE A 28 5.228 -9.526 0.977 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.803 -8.032 -0.895 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.637 -6.854 -0.324 1.00 0.00 H new ATOM 0 HD1 PHE A 28 7.084 -8.884 1.651 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.915 -5.014 0.304 1.00 0.00 H new ATOM 0 HE1 PHE A 28 8.802 -7.867 3.083 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.636 -3.997 1.726 1.00 0.00 H new ATOM 0 HZ PHE A 28 9.082 -5.420 3.123 1.00 0.00 H new ATOM 461 N SER A 29 3.582 -9.148 2.851 1.00 0.00 N ATOM 462 CA SER A 29 2.917 -8.815 4.095 1.00 0.00 C ATOM 463 C SER A 29 3.919 -8.196 5.064 1.00 0.00 C ATOM 464 O SER A 29 4.958 -8.791 5.362 1.00 0.00 O ATOM 465 CB SER A 29 2.278 -10.072 4.689 1.00 0.00 C ATOM 466 OG SER A 29 1.387 -10.672 3.755 1.00 0.00 O ATOM 0 H SER A 29 3.870 -10.124 2.778 1.00 0.00 H new ATOM 0 HA SER A 29 2.128 -8.086 3.908 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.055 -10.784 4.967 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.739 -9.816 5.601 1.00 0.00 H new ATOM 0 HG SER A 29 0.989 -11.475 4.152 1.00 0.00 H new ATOM 472 N ILE A 30 3.615 -7.002 5.551 1.00 0.00 N ATOM 473 CA ILE A 30 4.567 -6.249 6.346 1.00 0.00 C ATOM 474 C ILE A 30 4.108 -6.116 7.785 1.00 0.00 C ATOM 475 O ILE A 30 2.991 -5.688 8.074 1.00 0.00 O ATOM 476 CB ILE A 30 4.843 -4.855 5.744 1.00 0.00 C ATOM 477 CG1 ILE A 30 3.535 -4.106 5.481 1.00 0.00 C ATOM 478 CG2 ILE A 30 5.644 -4.993 4.466 1.00 0.00 C ATOM 479 CD1 ILE A 30 3.727 -2.771 4.788 1.00 0.00 C ATOM 0 H ILE A 30 2.718 -6.537 5.409 1.00 0.00 H new ATOM 0 HA ILE A 30 5.499 -6.813 6.333 1.00 0.00 H new ATOM 0 HB ILE A 30 5.423 -4.275 6.462 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.884 -4.732 4.871 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.023 -3.943 6.429 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.835 -4.005 4.047 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.593 -5.484 4.682 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.082 -5.589 3.747 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.757 -2.298 4.635 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.351 -2.126 5.407 1.00 0.00 H new ATOM 0 HD13 ILE A 30 4.211 -2.928 3.824 1.00 0.00 H new ATOM 491 N ASP A 31 4.986 -6.513 8.679 1.00 0.00 N ATOM 492 CA ASP A 31 4.726 -6.467 10.101 1.00 0.00 C ATOM 493 C ASP A 31 5.074 -5.097 10.662 1.00 0.00 C ATOM 494 O ASP A 31 5.882 -4.370 10.084 1.00 0.00 O ATOM 495 CB ASP A 31 5.541 -7.549 10.808 1.00 0.00 C ATOM 496 CG ASP A 31 7.014 -7.466 10.472 1.00 0.00 C ATOM 497 OD1 ASP A 31 7.380 -7.732 9.304 1.00 0.00 O ATOM 498 OD2 ASP A 31 7.812 -7.116 11.358 1.00 0.00 O ATOM 0 H ASP A 31 5.907 -6.879 8.438 1.00 0.00 H new ATOM 0 HA ASP A 31 3.665 -6.648 10.272 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.410 -7.454 11.886 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.160 -8.531 10.526 1.00 0.00 H new ATOM 503 N ASN A 32 4.454 -4.772 11.791 1.00 0.00 N ATOM 504 CA ASN A 32 4.609 -3.478 12.453 1.00 0.00 C ATOM 505 C ASN A 32 3.920 -2.369 11.654 1.00 0.00 C ATOM 506 O ASN A 32 4.365 -1.220 11.636 1.00 0.00 O ATOM 507 CB ASN A 32 6.084 -3.156 12.706 1.00 0.00 C ATOM 508 CG ASN A 32 6.702 -4.083 13.739 1.00 0.00 C ATOM 509 OD1 ASN A 32 6.644 -3.820 14.941 1.00 0.00 O ATOM 510 ND2 ASN A 32 7.293 -5.181 13.284 1.00 0.00 N ATOM 0 H ASN A 32 3.822 -5.406 12.280 1.00 0.00 H new ATOM 0 HA ASN A 32 4.120 -3.538 13.425 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.638 -3.236 11.771 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.177 -2.124 13.044 1.00 0.00 H new ATOM 0 HD21 ASN A 32 7.718 -5.839 13.937 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.322 -5.366 12.281 1.00 0.00 H new ATOM 517 N TYR A 33 2.816 -2.734 11.005 1.00 0.00 N ATOM 518 CA TYR A 33 1.932 -1.772 10.351 1.00 0.00 C ATOM 519 C TYR A 33 0.485 -2.134 10.668 1.00 0.00 C ATOM 520 O TYR A 33 0.211 -3.237 11.129 1.00 0.00 O ATOM 521 CB TYR A 33 2.125 -1.752 8.828 1.00 0.00 C ATOM 522 CG TYR A 33 3.501 -1.321 8.360 1.00 0.00 C ATOM 523 CD1 TYR A 33 4.538 -2.238 8.241 1.00 0.00 C ATOM 524 CD2 TYR A 33 3.755 -0.001 8.018 1.00 0.00 C ATOM 525 CE1 TYR A 33 5.788 -1.848 7.797 1.00 0.00 C ATOM 526 CE2 TYR A 33 4.999 0.397 7.569 1.00 0.00 C ATOM 527 CZ TYR A 33 6.014 -0.530 7.462 1.00 0.00 C ATOM 528 OH TYR A 33 7.255 -0.142 7.006 1.00 0.00 O ATOM 0 H TYR A 33 2.510 -3.703 10.918 1.00 0.00 H new ATOM 0 HA TYR A 33 2.177 -0.780 10.729 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.922 -2.749 8.438 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.384 -1.082 8.392 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.365 -3.272 8.500 1.00 0.00 H new ATOM 0 HD2 TYR A 33 2.965 0.730 8.104 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.584 -2.573 7.713 1.00 0.00 H new ATOM 0 HE2 TYR A 33 5.176 1.429 7.303 1.00 0.00 H new ATOM 0 HH TYR A 33 7.247 0.819 6.813 1.00 0.00 H new ATOM 538 N GLN A 34 -0.435 -1.216 10.415 1.00 0.00 N ATOM 539 CA GLN A 34 -1.846 -1.443 10.711 1.00 0.00 C ATOM 540 C GLN A 34 -2.728 -0.968 9.561 1.00 0.00 C ATOM 541 O GLN A 34 -2.422 0.028 8.902 1.00 0.00 O ATOM 542 CB GLN A 34 -2.225 -0.724 12.006 1.00 0.00 C ATOM 543 CG GLN A 34 -1.491 -1.266 13.222 1.00 0.00 C ATOM 544 CD GLN A 34 -1.592 -0.360 14.430 1.00 0.00 C ATOM 545 OE1 GLN A 34 -1.699 0.857 14.300 1.00 0.00 O ATOM 546 NE2 GLN A 34 -1.539 -0.946 15.616 1.00 0.00 N ATOM 0 H GLN A 34 -0.232 -0.304 10.005 1.00 0.00 H new ATOM 0 HA GLN A 34 -2.007 -2.514 10.836 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -2.009 0.339 11.902 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -3.299 -0.816 12.166 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -1.895 -2.246 13.476 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -0.440 -1.410 12.970 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -1.450 -1.960 15.680 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.587 -0.383 16.465 1.00 0.00 H new ATOM 555 N LEU A 35 -3.817 -1.692 9.326 1.00 0.00 N ATOM 556 CA LEU A 35 -4.731 -1.382 8.234 1.00 0.00 C ATOM 557 C LEU A 35 -6.011 -0.745 8.773 1.00 0.00 C ATOM 558 O LEU A 35 -6.608 -1.249 9.719 1.00 0.00 O ATOM 559 CB LEU A 35 -5.078 -2.669 7.471 1.00 0.00 C ATOM 560 CG LEU A 35 -5.890 -2.483 6.187 1.00 0.00 C ATOM 561 CD1 LEU A 35 -5.007 -1.955 5.068 1.00 0.00 C ATOM 562 CD2 LEU A 35 -6.549 -3.792 5.778 1.00 0.00 C ATOM 0 H LEU A 35 -4.089 -2.503 9.882 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.245 -0.676 7.560 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.150 -3.182 7.220 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.635 -3.326 8.139 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.674 -1.750 6.379 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.602 -1.829 4.163 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.584 -0.994 5.361 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.200 -2.663 4.876 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -7.122 -3.641 4.863 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.782 -4.547 5.605 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.216 -4.127 6.572 1.00 0.00 H new ATOM 574 N TYR A 36 -6.423 0.365 8.180 1.00 0.00 N ATOM 575 CA TYR A 36 -7.686 1.002 8.535 1.00 0.00 C ATOM 576 C TYR A 36 -8.764 0.620 7.536 1.00 0.00 C ATOM 577 O TYR A 36 -8.571 0.755 6.331 1.00 0.00 O ATOM 578 CB TYR A 36 -7.557 2.526 8.551 1.00 0.00 C ATOM 579 CG TYR A 36 -6.579 3.062 9.564 1.00 0.00 C ATOM 580 CD1 TYR A 36 -6.894 3.089 10.916 1.00 0.00 C ATOM 581 CD2 TYR A 36 -5.347 3.551 9.163 1.00 0.00 C ATOM 582 CE1 TYR A 36 -6.001 3.590 11.845 1.00 0.00 C ATOM 583 CE2 TYR A 36 -4.449 4.057 10.080 1.00 0.00 C ATOM 584 CZ TYR A 36 -4.780 4.075 11.422 1.00 0.00 C ATOM 585 OH TYR A 36 -3.888 4.584 12.342 1.00 0.00 O ATOM 0 H TYR A 36 -5.900 0.846 7.448 1.00 0.00 H new ATOM 0 HA TYR A 36 -7.955 0.657 9.533 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -7.254 2.862 7.559 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.538 2.959 8.748 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -7.851 2.713 11.247 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -5.085 3.536 8.115 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -6.257 3.602 12.894 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.493 4.437 9.751 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.011 4.131 13.202 1.00 0.00 H new ATOM 595 N SER A 37 -9.896 0.152 8.028 1.00 0.00 N ATOM 596 CA SER A 37 -11.012 -0.170 7.160 1.00 0.00 C ATOM 597 C SER A 37 -12.148 0.831 7.363 1.00 0.00 C ATOM 598 O SER A 37 -12.581 1.076 8.493 1.00 0.00 O ATOM 599 CB SER A 37 -11.484 -1.607 7.398 1.00 0.00 C ATOM 600 OG SER A 37 -11.762 -1.849 8.766 1.00 0.00 O ATOM 0 H SER A 37 -10.066 -0.013 9.020 1.00 0.00 H new ATOM 0 HA SER A 37 -10.682 -0.098 6.124 1.00 0.00 H new ATOM 0 HB2 SER A 37 -12.379 -1.799 6.806 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.719 -2.303 7.054 1.00 0.00 H new ATOM 0 HG SER A 37 -11.048 -1.466 9.318 1.00 0.00 H new ATOM 606 N LEU A 38 -12.596 1.433 6.266 1.00 0.00 N ATOM 607 CA LEU A 38 -13.661 2.429 6.311 1.00 0.00 C ATOM 608 C LEU A 38 -14.608 2.273 5.121 1.00 0.00 C ATOM 609 O LEU A 38 -15.380 3.181 4.805 1.00 0.00 O ATOM 610 CB LEU A 38 -13.087 3.859 6.345 1.00 0.00 C ATOM 611 CG LEU A 38 -12.065 4.206 5.257 1.00 0.00 C ATOM 612 CD1 LEU A 38 -12.078 5.702 4.979 1.00 0.00 C ATOM 613 CD2 LEU A 38 -10.668 3.773 5.683 1.00 0.00 C ATOM 0 H LEU A 38 -12.236 1.247 5.330 1.00 0.00 H new ATOM 0 HA LEU A 38 -14.224 2.262 7.229 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -13.916 4.562 6.272 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -12.619 4.017 7.317 1.00 0.00 H new ATOM 0 HG LEU A 38 -12.338 3.673 4.346 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -11.347 5.934 4.204 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -13.071 6.001 4.643 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -11.825 6.244 5.890 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.954 4.026 4.900 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.393 4.286 6.604 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -10.656 2.696 5.850 1.00 0.00 H new ATOM 625 N GLY A 39 -14.547 1.118 4.466 1.00 0.00 N ATOM 626 CA GLY A 39 -15.447 0.833 3.362 1.00 0.00 C ATOM 627 C GLY A 39 -15.038 1.499 2.061 1.00 0.00 C ATOM 628 O GLY A 39 -14.710 0.819 1.090 1.00 0.00 O ATOM 0 H GLY A 39 -13.887 0.371 4.681 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -15.493 -0.245 3.210 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -16.452 1.161 3.629 1.00 0.00 H new ATOM 632 N HIS A 40 -15.047 2.830 2.051 1.00 0.00 N ATOM 633 CA HIS A 40 -14.801 3.603 0.831 1.00 0.00 C ATOM 634 C HIS A 40 -13.423 3.295 0.249 1.00 0.00 C ATOM 635 O HIS A 40 -13.279 3.107 -0.960 1.00 0.00 O ATOM 636 CB HIS A 40 -14.934 5.102 1.123 1.00 0.00 C ATOM 637 CG HIS A 40 -15.094 5.958 -0.102 1.00 0.00 C ATOM 638 ND1 HIS A 40 -14.929 7.326 -0.091 1.00 0.00 N ATOM 639 CD2 HIS A 40 -15.422 5.635 -1.379 1.00 0.00 C ATOM 640 CE1 HIS A 40 -15.148 7.806 -1.300 1.00 0.00 C ATOM 641 NE2 HIS A 40 -15.447 6.802 -2.099 1.00 0.00 N ATOM 0 H HIS A 40 -15.223 3.400 2.878 1.00 0.00 H new ATOM 0 HA HIS A 40 -15.548 3.316 0.091 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -15.793 5.258 1.776 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -14.052 5.433 1.671 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -15.625 4.644 -1.757 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -15.092 8.846 -1.586 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -15.662 6.880 -3.093 1.00 0.00 H new ATOM 650 N TYR A 41 -12.418 3.263 1.115 1.00 0.00 N ATOM 651 CA TYR A 41 -11.059 2.903 0.722 1.00 0.00 C ATOM 652 C TYR A 41 -10.187 2.654 1.955 1.00 0.00 C ATOM 653 O TYR A 41 -9.898 3.567 2.718 1.00 0.00 O ATOM 654 CB TYR A 41 -10.423 3.973 -0.194 1.00 0.00 C ATOM 655 CG TYR A 41 -10.765 5.420 0.137 1.00 0.00 C ATOM 656 CD1 TYR A 41 -10.686 5.911 1.434 1.00 0.00 C ATOM 657 CD2 TYR A 41 -11.150 6.302 -0.867 1.00 0.00 C ATOM 658 CE1 TYR A 41 -10.977 7.227 1.723 1.00 0.00 C ATOM 659 CE2 TYR A 41 -11.446 7.622 -0.585 1.00 0.00 C ATOM 660 CZ TYR A 41 -11.355 8.079 0.713 1.00 0.00 C ATOM 661 OH TYR A 41 -11.641 9.395 1.000 1.00 0.00 O ATOM 0 H TYR A 41 -12.520 3.485 2.105 1.00 0.00 H new ATOM 0 HA TYR A 41 -11.119 1.978 0.148 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -9.340 3.858 -0.157 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -10.729 3.773 -1.221 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -10.390 5.247 2.233 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -11.219 5.949 -1.885 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -10.908 7.587 2.739 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -11.747 8.292 -1.377 1.00 0.00 H new ATOM 0 HH TYR A 41 -11.891 9.863 0.176 1.00 0.00 H new ATOM 671 N PRO A 42 -9.794 1.397 2.187 1.00 0.00 N ATOM 672 CA PRO A 42 -8.926 1.034 3.313 1.00 0.00 C ATOM 673 C PRO A 42 -7.565 1.734 3.263 1.00 0.00 C ATOM 674 O PRO A 42 -6.987 1.919 2.190 1.00 0.00 O ATOM 675 CB PRO A 42 -8.760 -0.483 3.169 1.00 0.00 C ATOM 676 CG PRO A 42 -9.917 -0.915 2.334 1.00 0.00 C ATOM 677 CD PRO A 42 -10.183 0.224 1.394 1.00 0.00 C ATOM 0 HA PRO A 42 -9.358 1.338 4.266 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.812 -0.734 2.692 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.768 -0.976 4.141 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -9.686 -1.829 1.787 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -10.790 -1.125 2.952 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.595 0.140 0.480 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -11.231 0.266 1.096 1.00 0.00 H new ATOM 685 N GLY A 43 -7.066 2.110 4.434 1.00 0.00 N ATOM 686 CA GLY A 43 -5.786 2.790 4.531 1.00 0.00 C ATOM 687 C GLY A 43 -4.808 2.007 5.380 1.00 0.00 C ATOM 688 O GLY A 43 -5.162 0.968 5.920 1.00 0.00 O ATOM 0 H GLY A 43 -7.531 1.954 5.329 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.371 2.932 3.533 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.931 3.781 4.960 1.00 0.00 H new ATOM 692 N ALA A 44 -3.589 2.504 5.526 1.00 0.00 N ATOM 693 CA ALA A 44 -2.555 1.764 6.243 1.00 0.00 C ATOM 694 C ALA A 44 -1.511 2.701 6.830 1.00 0.00 C ATOM 695 O ALA A 44 -1.272 3.778 6.286 1.00 0.00 O ATOM 696 CB ALA A 44 -1.896 0.754 5.319 1.00 0.00 C ATOM 0 H ALA A 44 -3.290 3.409 5.162 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.031 1.234 7.068 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.127 0.209 5.866 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.646 0.053 4.952 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.442 1.274 4.476 1.00 0.00 H new ATOM 702 N VAL A 45 -0.894 2.285 7.937 1.00 0.00 N ATOM 703 CA VAL A 45 0.111 3.097 8.634 1.00 0.00 C ATOM 704 C VAL A 45 1.073 2.199 9.402 1.00 0.00 C ATOM 705 O VAL A 45 0.795 1.018 9.587 1.00 0.00 O ATOM 706 CB VAL A 45 -0.518 4.087 9.651 1.00 0.00 C ATOM 707 CG1 VAL A 45 -1.407 5.111 8.968 1.00 0.00 C ATOM 708 CG2 VAL A 45 -1.284 3.340 10.734 1.00 0.00 C ATOM 0 H VAL A 45 -1.074 1.382 8.375 1.00 0.00 H new ATOM 0 HA VAL A 45 0.628 3.667 7.862 1.00 0.00 H new ATOM 0 HB VAL A 45 0.301 4.631 10.122 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -1.827 5.784 9.715 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.818 5.685 8.253 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.215 4.600 8.445 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.715 4.056 11.434 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.081 2.754 10.277 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.605 2.675 11.267 1.00 0.00 H new ATOM 718 N PRO A 46 2.219 2.737 9.855 1.00 0.00 N ATOM 719 CA PRO A 46 3.127 2.012 10.749 1.00 0.00 C ATOM 720 C PRO A 46 2.541 1.887 12.155 1.00 0.00 C ATOM 721 O PRO A 46 1.799 2.764 12.606 1.00 0.00 O ATOM 722 CB PRO A 46 4.396 2.877 10.777 1.00 0.00 C ATOM 723 CG PRO A 46 4.220 3.898 9.700 1.00 0.00 C ATOM 724 CD PRO A 46 2.739 4.070 9.521 1.00 0.00 C ATOM 0 HA PRO A 46 3.311 0.994 10.406 1.00 0.00 H new ATOM 0 HB2 PRO A 46 4.523 3.353 11.749 1.00 0.00 H new ATOM 0 HB3 PRO A 46 5.285 2.272 10.600 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.690 4.841 9.978 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.688 3.569 8.772 1.00 0.00 H new ATOM 0 HD2 PRO A 46 2.337 4.839 10.181 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.485 4.361 8.502 1.00 0.00 H new ATOM 732 N GLY A 47 2.872 0.805 12.843 1.00 0.00 N ATOM 733 CA GLY A 47 2.353 0.587 14.179 1.00 0.00 C ATOM 734 C GLY A 47 2.676 -0.798 14.699 1.00 0.00 C ATOM 735 O GLY A 47 3.831 -1.214 14.693 1.00 0.00 O ATOM 0 H GLY A 47 3.492 0.072 12.500 1.00 0.00 H new ATOM 0 HA2 GLY A 47 2.770 1.333 14.855 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.272 0.729 14.175 1.00 0.00 H new ATOM 739 N ASN A 48 1.650 -1.523 15.124 1.00 0.00 N ATOM 740 CA ASN A 48 1.826 -2.859 15.670 1.00 0.00 C ATOM 741 C ASN A 48 0.774 -3.787 15.085 1.00 0.00 C ATOM 742 O ASN A 48 -0.353 -3.864 15.575 1.00 0.00 O ATOM 743 CB ASN A 48 1.733 -2.857 17.203 1.00 0.00 C ATOM 744 CG ASN A 48 2.762 -1.958 17.866 1.00 0.00 C ATOM 745 OD1 ASN A 48 2.493 -0.789 18.151 1.00 0.00 O ATOM 746 ND2 ASN A 48 3.950 -2.489 18.113 1.00 0.00 N ATOM 0 H ASN A 48 0.681 -1.204 15.100 1.00 0.00 H new ATOM 0 HA ASN A 48 2.821 -3.212 15.399 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.735 -2.535 17.499 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.861 -3.876 17.569 1.00 0.00 H new ATOM 0 HD21 ASN A 48 4.678 -1.927 18.553 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.136 -3.460 17.863 1.00 0.00 H new ATOM 753 N GLY A 49 1.133 -4.431 13.994 1.00 0.00 N ATOM 754 CA GLY A 49 0.240 -5.365 13.334 1.00 0.00 C ATOM 755 C GLY A 49 0.894 -5.954 12.106 1.00 0.00 C ATOM 756 O GLY A 49 2.047 -5.651 11.830 1.00 0.00 O ATOM 0 H GLY A 49 2.041 -4.325 13.542 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.034 -6.163 14.024 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.682 -4.857 13.052 1.00 0.00 H new ATOM 760 N THR A 50 0.192 -6.796 11.378 1.00 0.00 N ATOM 761 CA THR A 50 0.735 -7.351 10.149 1.00 0.00 C ATOM 762 C THR A 50 -0.177 -7.020 8.978 1.00 0.00 C ATOM 763 O THR A 50 -1.340 -7.400 8.975 1.00 0.00 O ATOM 764 CB THR A 50 0.899 -8.878 10.252 1.00 0.00 C ATOM 765 OG1 THR A 50 1.607 -9.208 11.454 1.00 0.00 O ATOM 766 CG2 THR A 50 1.655 -9.431 9.050 1.00 0.00 C ATOM 0 H THR A 50 -0.750 -7.112 11.610 1.00 0.00 H new ATOM 0 HA THR A 50 1.717 -6.906 9.988 1.00 0.00 H new ATOM 0 HB THR A 50 -0.094 -9.327 10.271 1.00 0.00 H new ATOM 0 HG1 THR A 50 1.708 -10.181 11.517 1.00 0.00 H new ATOM 0 HG21 THR A 50 1.756 -10.512 9.150 1.00 0.00 H new ATOM 0 HG22 THR A 50 1.106 -9.200 8.137 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.645 -8.977 9.002 1.00 0.00 H new ATOM 774 N VAL A 51 0.345 -6.310 7.991 1.00 0.00 N ATOM 775 CA VAL A 51 -0.460 -5.899 6.859 1.00 0.00 C ATOM 776 C VAL A 51 -0.095 -6.705 5.629 1.00 0.00 C ATOM 777 O VAL A 51 0.989 -6.551 5.069 1.00 0.00 O ATOM 778 CB VAL A 51 -0.309 -4.392 6.558 1.00 0.00 C ATOM 779 CG1 VAL A 51 -1.104 -4.001 5.321 1.00 0.00 C ATOM 780 CG2 VAL A 51 -0.759 -3.569 7.750 1.00 0.00 C ATOM 0 H VAL A 51 1.319 -6.009 7.953 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.501 -6.086 7.121 1.00 0.00 H new ATOM 0 HB VAL A 51 0.745 -4.189 6.365 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.981 -2.935 5.131 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.742 -4.567 4.462 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.159 -4.221 5.482 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.647 -2.509 7.523 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -1.805 -3.785 7.967 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.149 -3.821 8.617 1.00 0.00 H new ATOM 790 N HIS A 52 -0.999 -7.581 5.234 1.00 0.00 N ATOM 791 CA HIS A 52 -0.852 -8.333 4.005 1.00 0.00 C ATOM 792 C HIS A 52 -1.003 -7.383 2.825 1.00 0.00 C ATOM 793 O HIS A 52 -2.028 -6.732 2.680 1.00 0.00 O ATOM 794 CB HIS A 52 -1.900 -9.456 3.966 1.00 0.00 C ATOM 795 CG HIS A 52 -2.230 -9.966 2.599 1.00 0.00 C ATOM 796 ND1 HIS A 52 -1.300 -10.506 1.740 1.00 0.00 N ATOM 797 CD2 HIS A 52 -3.410 -9.996 1.939 1.00 0.00 C ATOM 798 CE1 HIS A 52 -1.893 -10.842 0.614 1.00 0.00 C ATOM 799 NE2 HIS A 52 -3.175 -10.542 0.701 1.00 0.00 N ATOM 0 H HIS A 52 -1.851 -7.790 5.754 1.00 0.00 H new ATOM 0 HA HIS A 52 0.134 -8.794 3.951 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -1.541 -10.289 4.571 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.816 -9.094 4.433 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -0.308 -10.627 1.944 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -4.362 -9.653 2.316 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -1.409 -11.290 -0.241 1.00 0.00 H new ATOM 808 N GLY A 53 0.025 -7.283 2.004 1.00 0.00 N ATOM 809 CA GLY A 53 -0.011 -6.338 0.915 1.00 0.00 C ATOM 810 C GLY A 53 0.323 -6.964 -0.414 1.00 0.00 C ATOM 811 O GLY A 53 1.184 -7.839 -0.502 1.00 0.00 O ATOM 0 H GLY A 53 0.880 -7.836 2.071 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -1.003 -5.891 0.861 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.692 -5.530 1.118 1.00 0.00 H new ATOM 815 N GLU A 54 -0.360 -6.509 -1.449 1.00 0.00 N ATOM 816 CA GLU A 54 -0.119 -6.980 -2.798 1.00 0.00 C ATOM 817 C GLU A 54 0.778 -5.978 -3.512 1.00 0.00 C ATOM 818 O GLU A 54 0.341 -4.871 -3.836 1.00 0.00 O ATOM 819 CB GLU A 54 -1.437 -7.103 -3.571 1.00 0.00 C ATOM 820 CG GLU A 54 -2.580 -7.743 -2.794 1.00 0.00 C ATOM 821 CD GLU A 54 -2.486 -9.254 -2.695 1.00 0.00 C ATOM 822 OE1 GLU A 54 -1.662 -9.864 -3.408 1.00 0.00 O ATOM 823 OE2 GLU A 54 -3.265 -9.843 -1.914 1.00 0.00 O ATOM 0 H GLU A 54 -1.095 -5.805 -1.377 1.00 0.00 H new ATOM 0 HA GLU A 54 0.355 -7.960 -2.752 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.747 -6.108 -3.892 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.259 -7.688 -4.473 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.602 -7.324 -1.788 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.524 -7.478 -3.271 1.00 0.00 H new ATOM 830 N VAL A 55 2.031 -6.331 -3.737 1.00 0.00 N ATOM 831 CA VAL A 55 2.926 -5.424 -4.443 1.00 0.00 C ATOM 832 C VAL A 55 2.678 -5.519 -5.945 1.00 0.00 C ATOM 833 O VAL A 55 2.855 -6.579 -6.553 1.00 0.00 O ATOM 834 CB VAL A 55 4.411 -5.694 -4.117 1.00 0.00 C ATOM 835 CG1 VAL A 55 5.319 -4.700 -4.834 1.00 0.00 C ATOM 836 CG2 VAL A 55 4.634 -5.619 -2.616 1.00 0.00 C ATOM 0 H VAL A 55 2.447 -7.217 -3.450 1.00 0.00 H new ATOM 0 HA VAL A 55 2.708 -4.412 -4.103 1.00 0.00 H new ATOM 0 HB VAL A 55 4.662 -6.695 -4.468 1.00 0.00 H new ATOM 0 HG11 VAL A 55 6.359 -4.913 -4.587 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.177 -4.789 -5.911 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.071 -3.687 -4.517 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.684 -5.811 -2.394 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.363 -4.626 -2.257 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.016 -6.366 -2.119 1.00 0.00 H new ATOM 846 N TYR A 56 2.242 -4.411 -6.529 1.00 0.00 N ATOM 847 CA TYR A 56 1.869 -4.375 -7.936 1.00 0.00 C ATOM 848 C TYR A 56 2.733 -3.403 -8.722 1.00 0.00 C ATOM 849 O TYR A 56 3.221 -2.403 -8.189 1.00 0.00 O ATOM 850 CB TYR A 56 0.401 -3.957 -8.097 1.00 0.00 C ATOM 851 CG TYR A 56 -0.594 -5.095 -8.095 1.00 0.00 C ATOM 852 CD1 TYR A 56 -1.135 -5.579 -6.912 1.00 0.00 C ATOM 853 CD2 TYR A 56 -1.008 -5.669 -9.287 1.00 0.00 C ATOM 854 CE1 TYR A 56 -2.058 -6.608 -6.918 1.00 0.00 C ATOM 855 CE2 TYR A 56 -1.931 -6.694 -9.304 1.00 0.00 C ATOM 856 CZ TYR A 56 -2.453 -7.161 -8.117 1.00 0.00 C ATOM 857 OH TYR A 56 -3.374 -8.183 -8.134 1.00 0.00 O ATOM 0 H TYR A 56 2.138 -3.519 -6.045 1.00 0.00 H new ATOM 0 HA TYR A 56 2.018 -5.382 -8.326 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.145 -3.270 -7.291 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.297 -3.406 -9.031 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.830 -5.145 -5.971 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.600 -5.307 -10.219 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.467 -6.976 -5.989 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.243 -7.128 -10.242 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.542 -8.457 -9.060 1.00 0.00 H new ATOM 867 N ARG A 57 2.911 -3.707 -9.995 1.00 0.00 N ATOM 868 CA ARG A 57 3.539 -2.789 -10.924 1.00 0.00 C ATOM 869 C ARG A 57 2.470 -2.259 -11.864 1.00 0.00 C ATOM 870 O ARG A 57 1.970 -2.985 -12.722 1.00 0.00 O ATOM 871 CB ARG A 57 4.661 -3.495 -11.701 1.00 0.00 C ATOM 872 CG ARG A 57 5.484 -2.585 -12.611 1.00 0.00 C ATOM 873 CD ARG A 57 4.770 -2.266 -13.916 1.00 0.00 C ATOM 874 NE ARG A 57 5.586 -1.443 -14.803 1.00 0.00 N ATOM 875 CZ ARG A 57 5.094 -0.606 -15.718 1.00 0.00 C ATOM 876 NH1 ARG A 57 3.779 -0.470 -15.867 1.00 0.00 N ATOM 877 NH2 ARG A 57 5.924 0.089 -16.484 1.00 0.00 N ATOM 0 H ARG A 57 2.625 -4.593 -10.411 1.00 0.00 H new ATOM 0 HA ARG A 57 3.993 -1.958 -10.384 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.332 -3.974 -10.987 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.221 -4.288 -12.306 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.706 -1.656 -12.086 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.439 -3.063 -12.830 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.510 -3.195 -14.423 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.836 -1.748 -13.700 1.00 0.00 H new ATOM 0 HE ARG A 57 6.600 -1.512 -14.718 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.141 -1.007 -15.280 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.409 0.172 -16.568 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.932 -0.018 -16.372 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.554 0.731 -17.185 1.00 0.00 H new ATOM 891 N ILE A 58 2.106 -1.003 -11.685 1.00 0.00 N ATOM 892 CA ILE A 58 1.079 -0.385 -12.506 1.00 0.00 C ATOM 893 C ILE A 58 1.675 0.734 -13.348 1.00 0.00 C ATOM 894 O ILE A 58 2.840 1.103 -13.178 1.00 0.00 O ATOM 895 CB ILE A 58 -0.085 0.178 -11.658 1.00 0.00 C ATOM 896 CG1 ILE A 58 0.414 1.275 -10.714 1.00 0.00 C ATOM 897 CG2 ILE A 58 -0.755 -0.940 -10.869 1.00 0.00 C ATOM 898 CD1 ILE A 58 -0.690 1.978 -9.952 1.00 0.00 C ATOM 0 H ILE A 58 2.507 -0.388 -10.977 1.00 0.00 H new ATOM 0 HA ILE A 58 0.679 -1.165 -13.154 1.00 0.00 H new ATOM 0 HB ILE A 58 -0.820 0.617 -12.332 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.112 0.837 -10.001 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.970 2.013 -11.292 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.572 -0.528 -10.277 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.147 -1.687 -11.559 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.025 -1.405 -10.206 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.257 2.741 -9.305 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.377 2.447 -10.657 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.232 1.253 -9.345 1.00 0.00 H new ATOM 910 N ASP A 59 0.888 1.232 -14.282 1.00 0.00 N ATOM 911 CA ASP A 59 1.292 2.346 -15.130 1.00 0.00 C ATOM 912 C ASP A 59 1.762 3.552 -14.310 1.00 0.00 C ATOM 913 O ASP A 59 1.164 3.902 -13.292 1.00 0.00 O ATOM 914 CB ASP A 59 0.139 2.733 -16.049 1.00 0.00 C ATOM 915 CG ASP A 59 0.428 3.968 -16.867 1.00 0.00 C ATOM 916 OD1 ASP A 59 1.313 3.915 -17.747 1.00 0.00 O ATOM 917 OD2 ASP A 59 -0.246 4.989 -16.640 1.00 0.00 O ATOM 0 H ASP A 59 -0.049 0.879 -14.477 1.00 0.00 H new ATOM 0 HA ASP A 59 2.142 2.023 -15.731 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.079 1.902 -16.720 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.756 2.902 -15.450 1.00 0.00 H new ATOM 922 N ASN A 60 2.845 4.172 -14.765 1.00 0.00 N ATOM 923 CA ASN A 60 3.422 5.339 -14.098 1.00 0.00 C ATOM 924 C ASN A 60 2.454 6.526 -14.100 1.00 0.00 C ATOM 925 O ASN A 60 2.280 7.213 -13.087 1.00 0.00 O ATOM 926 CB ASN A 60 4.733 5.738 -14.771 1.00 0.00 C ATOM 927 CG ASN A 60 5.883 4.877 -14.300 1.00 0.00 C ATOM 928 OD1 ASN A 60 6.153 3.815 -14.859 1.00 0.00 O ATOM 929 ND2 ASN A 60 6.559 5.321 -13.255 1.00 0.00 N ATOM 0 H ASN A 60 3.348 3.883 -15.604 1.00 0.00 H new ATOM 0 HA ASN A 60 3.616 5.064 -13.061 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.630 5.649 -15.852 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.949 6.785 -14.557 1.00 0.00 H new ATOM 0 HD21 ASN A 60 7.338 4.777 -12.883 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.302 6.207 -12.821 1.00 0.00 H new ATOM 936 N ALA A 61 1.818 6.765 -15.241 1.00 0.00 N ATOM 937 CA ALA A 61 0.865 7.862 -15.365 1.00 0.00 C ATOM 938 C ALA A 61 -0.345 7.612 -14.477 1.00 0.00 C ATOM 939 O ALA A 61 -0.937 8.543 -13.937 1.00 0.00 O ATOM 940 CB ALA A 61 0.441 8.037 -16.813 1.00 0.00 C ATOM 0 H ALA A 61 1.944 6.216 -16.091 1.00 0.00 H new ATOM 0 HA ALA A 61 1.349 8.782 -15.038 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -0.270 8.860 -16.887 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.316 8.258 -17.424 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.028 7.119 -17.168 1.00 0.00 H new ATOM 946 N THR A 62 -0.709 6.343 -14.346 1.00 0.00 N ATOM 947 CA THR A 62 -1.757 5.923 -13.427 1.00 0.00 C ATOM 948 C THR A 62 -1.442 6.362 -11.995 1.00 0.00 C ATOM 949 O THR A 62 -2.344 6.623 -11.205 1.00 0.00 O ATOM 950 CB THR A 62 -1.953 4.398 -13.491 1.00 0.00 C ATOM 951 OG1 THR A 62 -2.246 4.022 -14.844 1.00 0.00 O ATOM 952 CG2 THR A 62 -3.082 3.943 -12.575 1.00 0.00 C ATOM 0 H THR A 62 -0.287 5.578 -14.873 1.00 0.00 H new ATOM 0 HA THR A 62 -2.685 6.406 -13.732 1.00 0.00 H new ATOM 0 HB THR A 62 -1.035 3.915 -13.154 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.714 4.756 -15.294 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.193 2.861 -12.645 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.849 4.218 -11.546 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.012 4.424 -12.878 1.00 0.00 H new ATOM 960 N LEU A 63 -0.155 6.462 -11.673 1.00 0.00 N ATOM 961 CA LEU A 63 0.264 6.965 -10.374 1.00 0.00 C ATOM 962 C LEU A 63 -0.112 8.423 -10.268 1.00 0.00 C ATOM 963 O LEU A 63 -0.689 8.848 -9.280 1.00 0.00 O ATOM 964 CB LEU A 63 1.771 6.823 -10.153 1.00 0.00 C ATOM 965 CG LEU A 63 2.283 7.472 -8.864 1.00 0.00 C ATOM 966 CD1 LEU A 63 1.814 6.695 -7.642 1.00 0.00 C ATOM 967 CD2 LEU A 63 3.797 7.585 -8.883 1.00 0.00 C ATOM 0 H LEU A 63 0.611 6.202 -12.294 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.240 6.372 -9.611 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.026 5.763 -10.138 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.294 7.265 -11.001 1.00 0.00 H new ATOM 0 HG LEU A 63 1.868 8.478 -8.804 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.190 7.175 -6.739 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.724 6.679 -7.617 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.191 5.674 -7.694 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.139 8.049 -7.958 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.235 6.591 -8.974 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.106 8.196 -9.731 1.00 0.00 H new ATOM 979 N ALA A 64 0.217 9.183 -11.307 1.00 0.00 N ATOM 980 CA ALA A 64 -0.157 10.591 -11.361 1.00 0.00 C ATOM 981 C ALA A 64 -1.670 10.743 -11.216 1.00 0.00 C ATOM 982 O ALA A 64 -2.159 11.717 -10.638 1.00 0.00 O ATOM 983 CB ALA A 64 0.325 11.222 -12.660 1.00 0.00 C ATOM 0 H ALA A 64 0.738 8.850 -12.118 1.00 0.00 H new ATOM 0 HA ALA A 64 0.323 11.111 -10.532 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.037 12.273 -12.683 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.410 11.142 -12.723 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.127 10.704 -13.506 1.00 0.00 H new ATOM 989 N GLU A 65 -2.402 9.756 -11.722 1.00 0.00 N ATOM 990 CA GLU A 65 -3.858 9.754 -11.622 1.00 0.00 C ATOM 991 C GLU A 65 -4.303 9.415 -10.198 1.00 0.00 C ATOM 992 O GLU A 65 -5.041 10.172 -9.566 1.00 0.00 O ATOM 993 CB GLU A 65 -4.460 8.755 -12.618 1.00 0.00 C ATOM 994 CG GLU A 65 -5.968 8.592 -12.488 1.00 0.00 C ATOM 995 CD GLU A 65 -6.558 7.677 -13.546 1.00 0.00 C ATOM 996 OE1 GLU A 65 -5.830 7.288 -14.486 1.00 0.00 O ATOM 997 OE2 GLU A 65 -7.761 7.347 -13.450 1.00 0.00 O ATOM 0 H GLU A 65 -2.011 8.947 -12.205 1.00 0.00 H new ATOM 0 HA GLU A 65 -4.218 10.753 -11.866 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.225 9.080 -13.632 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.985 7.784 -12.477 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.201 8.194 -11.500 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.441 9.571 -12.557 1.00 0.00 H new ATOM 1004 N LEU A 66 -3.831 8.277 -9.697 1.00 0.00 N ATOM 1005 CA LEU A 66 -4.189 7.798 -8.366 1.00 0.00 C ATOM 1006 C LEU A 66 -3.721 8.772 -7.287 1.00 0.00 C ATOM 1007 O LEU A 66 -4.415 8.987 -6.291 1.00 0.00 O ATOM 1008 CB LEU A 66 -3.593 6.400 -8.144 1.00 0.00 C ATOM 1009 CG LEU A 66 -3.809 5.788 -6.755 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -4.017 4.285 -6.865 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -2.616 6.078 -5.852 1.00 0.00 C ATOM 0 H LEU A 66 -3.191 7.663 -10.201 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.275 7.733 -8.295 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.017 5.724 -8.887 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.521 6.450 -8.334 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.700 6.239 -6.318 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.169 3.865 -5.871 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.893 4.083 -7.482 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -3.139 3.829 -7.321 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.787 5.636 -4.870 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -1.715 5.650 -6.291 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.492 7.156 -5.748 1.00 0.00 H new ATOM 1023 N ASP A 67 -2.552 9.362 -7.497 1.00 0.00 N ATOM 1024 CA ASP A 67 -1.999 10.339 -6.565 1.00 0.00 C ATOM 1025 C ASP A 67 -2.930 11.524 -6.435 1.00 0.00 C ATOM 1026 O ASP A 67 -3.385 11.850 -5.343 1.00 0.00 O ATOM 1027 CB ASP A 67 -0.627 10.823 -7.030 1.00 0.00 C ATOM 1028 CG ASP A 67 0.049 11.719 -6.014 1.00 0.00 C ATOM 1029 OD1 ASP A 67 0.216 11.288 -4.855 1.00 0.00 O ATOM 1030 OD2 ASP A 67 0.450 12.847 -6.379 1.00 0.00 O ATOM 0 H ASP A 67 -1.964 9.180 -8.310 1.00 0.00 H new ATOM 0 HA ASP A 67 -1.890 9.852 -5.596 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.010 9.961 -7.230 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.736 11.364 -7.970 1.00 0.00 H new ATOM 1035 N ALA A 68 -3.230 12.149 -7.567 1.00 0.00 N ATOM 1036 CA ALA A 68 -4.121 13.300 -7.608 1.00 0.00 C ATOM 1037 C ALA A 68 -5.468 12.967 -6.974 1.00 0.00 C ATOM 1038 O ALA A 68 -6.108 13.819 -6.357 1.00 0.00 O ATOM 1039 CB ALA A 68 -4.303 13.753 -9.045 1.00 0.00 C ATOM 0 H ALA A 68 -2.864 11.873 -8.478 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.674 14.111 -7.033 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.970 14.614 -9.073 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.336 14.029 -9.465 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.734 12.941 -9.631 1.00 0.00 H new ATOM 1045 N LEU A 69 -5.878 11.715 -7.114 1.00 0.00 N ATOM 1046 CA LEU A 69 -7.120 11.242 -6.528 1.00 0.00 C ATOM 1047 C LEU A 69 -7.032 11.141 -5.006 1.00 0.00 C ATOM 1048 O LEU A 69 -7.795 11.789 -4.298 1.00 0.00 O ATOM 1049 CB LEU A 69 -7.503 9.885 -7.125 1.00 0.00 C ATOM 1050 CG LEU A 69 -8.208 9.948 -8.478 1.00 0.00 C ATOM 1051 CD1 LEU A 69 -8.435 8.546 -9.025 1.00 0.00 C ATOM 1052 CD2 LEU A 69 -9.527 10.692 -8.338 1.00 0.00 C ATOM 0 H LEU A 69 -5.363 11.004 -7.633 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.893 11.973 -6.765 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.600 9.284 -7.231 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.151 9.365 -6.419 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.576 10.487 -9.183 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.938 8.609 -9.990 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.475 8.044 -9.148 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.054 7.980 -8.329 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.026 10.734 -9.306 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.165 10.171 -7.624 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.337 11.705 -7.983 1.00 0.00 H new ATOM 1064 N ARG A 70 -6.084 10.356 -4.502 1.00 0.00 N ATOM 1065 CA ARG A 70 -6.058 10.021 -3.079 1.00 0.00 C ATOM 1066 C ARG A 70 -5.337 11.078 -2.226 1.00 0.00 C ATOM 1067 O ARG A 70 -5.286 10.969 -1.001 1.00 0.00 O ATOM 1068 CB ARG A 70 -5.432 8.637 -2.877 1.00 0.00 C ATOM 1069 CG ARG A 70 -5.472 8.149 -1.440 1.00 0.00 C ATOM 1070 CD ARG A 70 -4.989 6.715 -1.314 1.00 0.00 C ATOM 1071 NE ARG A 70 -5.839 5.781 -2.052 1.00 0.00 N ATOM 1072 CZ ARG A 70 -5.663 4.462 -2.066 1.00 0.00 C ATOM 1073 NH1 ARG A 70 -4.676 3.908 -1.368 1.00 0.00 N ATOM 1074 NH2 ARG A 70 -6.491 3.696 -2.768 1.00 0.00 N ATOM 0 H ARG A 70 -5.330 9.943 -5.050 1.00 0.00 H new ATOM 0 HA ARG A 70 -7.092 10.005 -2.734 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.952 7.918 -3.510 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -4.395 8.665 -3.212 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.852 8.796 -0.820 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.491 8.223 -1.060 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -3.966 6.644 -1.684 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.968 6.431 -0.262 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.616 6.165 -2.590 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.049 4.495 -0.818 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.546 2.896 -1.383 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.257 4.120 -3.292 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.361 2.684 -2.783 1.00 0.00 H new ATOM 1088 N THR A 71 -4.782 12.101 -2.850 1.00 0.00 N ATOM 1089 CA THR A 71 -4.169 13.180 -2.086 1.00 0.00 C ATOM 1090 C THR A 71 -5.038 14.428 -2.128 1.00 0.00 C ATOM 1091 O THR A 71 -5.627 14.815 -1.117 1.00 0.00 O ATOM 1092 CB THR A 71 -2.747 13.518 -2.577 1.00 0.00 C ATOM 1093 OG1 THR A 71 -2.770 13.900 -3.959 1.00 0.00 O ATOM 1094 CG2 THR A 71 -1.820 12.329 -2.397 1.00 0.00 C ATOM 0 H THR A 71 -4.741 12.210 -3.863 1.00 0.00 H new ATOM 0 HA THR A 71 -4.087 12.827 -1.058 1.00 0.00 H new ATOM 0 HB THR A 71 -2.376 14.351 -1.980 1.00 0.00 H new ATOM 0 HG1 THR A 71 -3.185 13.187 -4.489 1.00 0.00 H new ATOM 0 HG21 THR A 71 -0.822 12.589 -2.750 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.773 12.061 -1.342 1.00 0.00 H new ATOM 0 HG23 THR A 71 -2.198 11.483 -2.970 1.00 0.00 H new ATOM 1102 N ARG A 72 -5.141 15.025 -3.311 1.00 0.00 N ATOM 1103 CA ARG A 72 -5.963 16.209 -3.525 1.00 0.00 C ATOM 1104 C ARG A 72 -7.386 15.957 -3.054 1.00 0.00 C ATOM 1105 O ARG A 72 -8.035 16.841 -2.497 1.00 0.00 O ATOM 1106 CB ARG A 72 -5.931 16.582 -5.014 1.00 0.00 C ATOM 1107 CG ARG A 72 -6.739 17.815 -5.408 1.00 0.00 C ATOM 1108 CD ARG A 72 -8.198 17.476 -5.673 1.00 0.00 C ATOM 1109 NE ARG A 72 -8.906 18.559 -6.354 1.00 0.00 N ATOM 1110 CZ ARG A 72 -10.229 18.715 -6.330 1.00 0.00 C ATOM 1111 NH1 ARG A 72 -10.981 17.921 -5.581 1.00 0.00 N ATOM 1112 NH2 ARG A 72 -10.797 19.684 -7.039 1.00 0.00 N ATOM 0 H ARG A 72 -4.657 14.701 -4.148 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.565 17.041 -2.944 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -4.893 16.742 -5.307 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.297 15.732 -5.590 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.678 18.558 -4.613 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -6.303 18.265 -6.300 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.254 16.571 -6.279 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.695 17.258 -4.728 1.00 0.00 H new ATOM 0 HE ARG A 72 -8.353 19.236 -6.879 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.547 17.188 -5.020 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -11.993 18.043 -5.565 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -10.220 20.309 -7.602 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -11.810 19.803 -7.020 1.00 0.00 H new ATOM 1126 N GLY A 73 -7.853 14.738 -3.262 1.00 0.00 N ATOM 1127 CA GLY A 73 -9.195 14.386 -2.859 1.00 0.00 C ATOM 1128 C GLY A 73 -9.219 13.220 -1.893 1.00 0.00 C ATOM 1129 O GLY A 73 -10.231 12.534 -1.765 1.00 0.00 O ATOM 0 H GLY A 73 -7.325 13.985 -3.704 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -9.670 15.250 -2.394 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -9.783 14.135 -3.742 1.00 0.00 H new ATOM 1133 N GLY A 74 -8.106 12.994 -1.203 1.00 0.00 N ATOM 1134 CA GLY A 74 -8.022 11.862 -0.300 1.00 0.00 C ATOM 1135 C GLY A 74 -7.469 12.233 1.058 1.00 0.00 C ATOM 1136 O GLY A 74 -7.801 11.593 2.052 1.00 0.00 O ATOM 0 H GLY A 74 -7.266 13.570 -1.252 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.014 11.428 -0.177 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -7.391 11.094 -0.746 1.00 0.00 H new ATOM 1140 N GLU A 75 -6.614 13.259 1.089 1.00 0.00 N ATOM 1141 CA GLU A 75 -6.059 13.789 2.333 1.00 0.00 C ATOM 1142 C GLU A 75 -4.992 12.853 2.919 1.00 0.00 C ATOM 1143 O GLU A 75 -4.634 12.951 4.097 1.00 0.00 O ATOM 1144 CB GLU A 75 -7.191 14.017 3.333 1.00 0.00 C ATOM 1145 CG GLU A 75 -6.825 14.911 4.501 1.00 0.00 C ATOM 1146 CD GLU A 75 -6.423 16.297 4.046 1.00 0.00 C ATOM 1147 OE1 GLU A 75 -7.316 17.142 3.837 1.00 0.00 O ATOM 1148 OE2 GLU A 75 -5.209 16.544 3.887 1.00 0.00 O ATOM 0 H GLU A 75 -6.289 13.744 0.252 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.568 14.738 2.119 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -8.040 14.455 2.808 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.518 13.052 3.719 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.673 14.984 5.182 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.005 14.460 5.060 1.00 0.00 H new ATOM 1155 N TYR A 76 -4.461 11.959 2.093 1.00 0.00 N ATOM 1156 CA TYR A 76 -3.433 11.023 2.545 1.00 0.00 C ATOM 1157 C TYR A 76 -2.133 11.283 1.799 1.00 0.00 C ATOM 1158 O TYR A 76 -2.139 11.944 0.763 1.00 0.00 O ATOM 1159 CB TYR A 76 -3.886 9.576 2.323 1.00 0.00 C ATOM 1160 CG TYR A 76 -5.313 9.320 2.753 1.00 0.00 C ATOM 1161 CD1 TYR A 76 -5.778 9.745 3.992 1.00 0.00 C ATOM 1162 CD2 TYR A 76 -6.199 8.668 1.911 1.00 0.00 C ATOM 1163 CE1 TYR A 76 -7.087 9.528 4.375 1.00 0.00 C ATOM 1164 CE2 TYR A 76 -7.508 8.443 2.285 1.00 0.00 C ATOM 1165 CZ TYR A 76 -7.948 8.876 3.520 1.00 0.00 C ATOM 1166 OH TYR A 76 -9.254 8.664 3.898 1.00 0.00 O ATOM 0 H TYR A 76 -4.722 11.861 1.112 1.00 0.00 H new ATOM 0 HA TYR A 76 -3.270 11.173 3.612 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.783 9.329 1.266 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -3.223 8.907 2.873 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -5.105 10.253 4.666 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -5.859 8.329 0.944 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -7.434 9.868 5.340 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -8.184 7.931 1.616 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.542 9.383 4.498 1.00 0.00 H new ATOM 1176 N ALA A 77 -1.020 10.774 2.316 1.00 0.00 N ATOM 1177 CA ALA A 77 0.265 10.997 1.670 1.00 0.00 C ATOM 1178 C ALA A 77 0.955 9.676 1.371 1.00 0.00 C ATOM 1179 O ALA A 77 0.756 8.688 2.075 1.00 0.00 O ATOM 1180 CB ALA A 77 1.153 11.883 2.528 1.00 0.00 C ATOM 0 H ALA A 77 -0.982 10.213 3.167 1.00 0.00 H new ATOM 0 HA ALA A 77 0.084 11.509 0.725 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.108 12.036 2.026 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.666 12.846 2.683 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.323 11.403 3.492 1.00 0.00 H new ATOM 1186 N ARG A 78 1.751 9.663 0.314 1.00 0.00 N ATOM 1187 CA ARG A 78 2.461 8.458 -0.087 1.00 0.00 C ATOM 1188 C ARG A 78 3.817 8.351 0.598 1.00 0.00 C ATOM 1189 O ARG A 78 4.624 9.281 0.575 1.00 0.00 O ATOM 1190 CB ARG A 78 2.626 8.402 -1.611 1.00 0.00 C ATOM 1191 CG ARG A 78 2.872 9.754 -2.262 1.00 0.00 C ATOM 1192 CD ARG A 78 3.148 9.612 -3.749 1.00 0.00 C ATOM 1193 NE ARG A 78 2.777 10.813 -4.487 1.00 0.00 N ATOM 1194 CZ ARG A 78 3.627 11.581 -5.161 1.00 0.00 C ATOM 1195 NH1 ARG A 78 4.930 11.324 -5.145 1.00 0.00 N ATOM 1196 NH2 ARG A 78 3.171 12.613 -5.856 1.00 0.00 N ATOM 0 H ARG A 78 1.922 10.473 -0.282 1.00 0.00 H new ATOM 0 HA ARG A 78 1.859 7.606 0.230 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.457 7.739 -1.851 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.730 7.960 -2.046 1.00 0.00 H new ATOM 0 HG2 ARG A 78 2.004 10.395 -2.111 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.717 10.244 -1.779 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.207 9.403 -3.904 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.594 8.759 -4.141 1.00 0.00 H new ATOM 0 HE ARG A 78 1.794 11.084 -4.486 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.287 10.531 -4.612 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.574 11.920 -5.666 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.171 12.815 -5.872 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.820 13.205 -6.375 1.00 0.00 H new ATOM 1210 N GLN A 79 4.039 7.205 1.216 1.00 0.00 N ATOM 1211 CA GLN A 79 5.304 6.876 1.846 1.00 0.00 C ATOM 1212 C GLN A 79 6.041 5.896 0.950 1.00 0.00 C ATOM 1213 O GLN A 79 5.513 4.830 0.637 1.00 0.00 O ATOM 1214 CB GLN A 79 5.052 6.223 3.207 1.00 0.00 C ATOM 1215 CG GLN A 79 6.270 6.195 4.115 1.00 0.00 C ATOM 1216 CD GLN A 79 6.000 5.513 5.445 1.00 0.00 C ATOM 1217 OE1 GLN A 79 6.573 5.882 6.470 1.00 0.00 O ATOM 1218 NE2 GLN A 79 5.136 4.507 5.441 1.00 0.00 N ATOM 0 H GLN A 79 3.338 6.469 1.295 1.00 0.00 H new ATOM 0 HA GLN A 79 5.894 7.781 1.990 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.248 6.758 3.712 1.00 0.00 H new ATOM 0 HB3 GLN A 79 4.706 5.202 3.050 1.00 0.00 H new ATOM 0 HG2 GLN A 79 7.084 5.679 3.606 1.00 0.00 H new ATOM 0 HG3 GLN A 79 6.605 7.216 4.297 1.00 0.00 H new ATOM 0 HE21 GLN A 79 4.680 4.229 4.572 1.00 0.00 H new ATOM 0 HE22 GLN A 79 4.927 4.011 6.307 1.00 0.00 H new ATOM 1227 N LEU A 80 7.235 6.244 0.517 1.00 0.00 N ATOM 1228 CA LEU A 80 7.956 5.390 -0.404 1.00 0.00 C ATOM 1229 C LEU A 80 8.766 4.345 0.348 1.00 0.00 C ATOM 1230 O LEU A 80 9.726 4.666 1.052 1.00 0.00 O ATOM 1231 CB LEU A 80 8.864 6.206 -1.316 1.00 0.00 C ATOM 1232 CG LEU A 80 9.587 5.384 -2.378 1.00 0.00 C ATOM 1233 CD1 LEU A 80 8.587 4.639 -3.247 1.00 0.00 C ATOM 1234 CD2 LEU A 80 10.460 6.278 -3.232 1.00 0.00 C ATOM 0 H LEU A 80 7.722 7.100 0.783 1.00 0.00 H new ATOM 0 HA LEU A 80 7.220 4.879 -1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 80 8.268 6.974 -1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.605 6.722 -0.705 1.00 0.00 H new ATOM 0 HG LEU A 80 10.221 4.653 -1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 80 9.121 4.058 -3.999 1.00 0.00 H new ATOM 0 HD12 LEU A 80 7.993 3.969 -2.625 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.930 5.355 -3.741 1.00 0.00 H new ATOM 0 HD21 LEU A 80 10.969 5.677 -3.985 1.00 0.00 H new ATOM 0 HD22 LEU A 80 9.841 7.028 -3.724 1.00 0.00 H new ATOM 0 HD23 LEU A 80 11.199 6.774 -2.603 1.00 0.00 H new ATOM 1246 N ILE A 81 8.366 3.097 0.197 1.00 0.00 N ATOM 1247 CA ILE A 81 9.043 1.994 0.848 1.00 0.00 C ATOM 1248 C ILE A 81 9.737 1.117 -0.181 1.00 0.00 C ATOM 1249 O ILE A 81 9.163 0.766 -1.210 1.00 0.00 O ATOM 1250 CB ILE A 81 8.067 1.153 1.693 1.00 0.00 C ATOM 1251 CG1 ILE A 81 6.881 0.691 0.844 1.00 0.00 C ATOM 1252 CG2 ILE A 81 7.593 1.971 2.883 1.00 0.00 C ATOM 1253 CD1 ILE A 81 5.948 -0.263 1.559 1.00 0.00 C ATOM 0 H ILE A 81 7.569 2.821 -0.376 1.00 0.00 H new ATOM 0 HA ILE A 81 9.792 2.414 1.520 1.00 0.00 H new ATOM 0 HB ILE A 81 8.582 0.264 2.057 1.00 0.00 H new ATOM 0 HG12 ILE A 81 6.314 1.565 0.523 1.00 0.00 H new ATOM 0 HG13 ILE A 81 7.259 0.207 -0.057 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.902 1.377 3.481 1.00 0.00 H new ATOM 0 HG22 ILE A 81 8.450 2.255 3.494 1.00 0.00 H new ATOM 0 HG23 ILE A 81 7.086 2.869 2.529 1.00 0.00 H new ATOM 0 HD11 ILE A 81 5.134 -0.544 0.891 1.00 0.00 H new ATOM 0 HD12 ILE A 81 6.498 -1.156 1.856 1.00 0.00 H new ATOM 0 HD13 ILE A 81 5.540 0.223 2.445 1.00 0.00 H new ATOM 1265 N GLN A 82 10.979 0.782 0.099 1.00 0.00 N ATOM 1266 CA GLN A 82 11.791 0.009 -0.826 1.00 0.00 C ATOM 1267 C GLN A 82 11.553 -1.481 -0.593 1.00 0.00 C ATOM 1268 O GLN A 82 12.076 -2.051 0.362 1.00 0.00 O ATOM 1269 CB GLN A 82 13.274 0.351 -0.611 1.00 0.00 C ATOM 1270 CG GLN A 82 14.132 0.326 -1.872 1.00 0.00 C ATOM 1271 CD GLN A 82 14.034 -0.971 -2.644 1.00 0.00 C ATOM 1272 OE1 GLN A 82 14.766 -1.923 -2.386 1.00 0.00 O ATOM 1273 NE2 GLN A 82 13.151 -1.000 -3.622 1.00 0.00 N ATOM 0 H GLN A 82 11.454 1.034 0.966 1.00 0.00 H new ATOM 0 HA GLN A 82 11.515 0.254 -1.852 1.00 0.00 H new ATOM 0 HB2 GLN A 82 13.341 1.343 -0.164 1.00 0.00 H new ATOM 0 HB3 GLN A 82 13.693 -0.352 0.109 1.00 0.00 H new ATOM 0 HG2 GLN A 82 13.834 1.149 -2.521 1.00 0.00 H new ATOM 0 HG3 GLN A 82 15.173 0.498 -1.597 1.00 0.00 H new ATOM 0 HE21 GLN A 82 12.563 -0.187 -3.802 1.00 0.00 H new ATOM 0 HE22 GLN A 82 13.056 -1.836 -4.199 1.00 0.00 H new ATOM 1282 N THR A 83 10.745 -2.110 -1.437 1.00 0.00 N ATOM 1283 CA THR A 83 10.484 -3.532 -1.272 1.00 0.00 C ATOM 1284 C THR A 83 11.454 -4.335 -2.131 1.00 0.00 C ATOM 1285 O THR A 83 12.032 -3.798 -3.080 1.00 0.00 O ATOM 1286 CB THR A 83 9.030 -3.909 -1.646 1.00 0.00 C ATOM 1287 OG1 THR A 83 8.911 -4.119 -3.058 1.00 0.00 O ATOM 1288 CG2 THR A 83 8.058 -2.820 -1.213 1.00 0.00 C ATOM 0 H THR A 83 10.269 -1.670 -2.225 1.00 0.00 H new ATOM 0 HA THR A 83 10.626 -3.769 -0.218 1.00 0.00 H new ATOM 0 HB THR A 83 8.782 -4.833 -1.123 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.681 -3.273 -3.496 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.043 -3.108 -1.487 1.00 0.00 H new ATOM 0 HG22 THR A 83 8.118 -2.687 -0.133 1.00 0.00 H new ATOM 0 HG23 THR A 83 8.316 -1.884 -1.709 1.00 0.00 H new ATOM 1296 N PRO A 84 11.644 -5.630 -1.823 1.00 0.00 N ATOM 1297 CA PRO A 84 12.520 -6.515 -2.606 1.00 0.00 C ATOM 1298 C PRO A 84 12.025 -6.715 -4.042 1.00 0.00 C ATOM 1299 O PRO A 84 12.664 -7.397 -4.842 1.00 0.00 O ATOM 1300 CB PRO A 84 12.473 -7.846 -1.843 1.00 0.00 C ATOM 1301 CG PRO A 84 11.966 -7.503 -0.486 1.00 0.00 C ATOM 1302 CD PRO A 84 11.046 -6.332 -0.676 1.00 0.00 C ATOM 0 HA PRO A 84 13.522 -6.097 -2.703 1.00 0.00 H new ATOM 0 HB2 PRO A 84 11.816 -8.561 -2.339 1.00 0.00 H new ATOM 0 HB3 PRO A 84 13.461 -8.304 -1.790 1.00 0.00 H new ATOM 0 HG2 PRO A 84 11.438 -8.347 -0.041 1.00 0.00 H new ATOM 0 HG3 PRO A 84 12.787 -7.250 0.186 1.00 0.00 H new ATOM 0 HD2 PRO A 84 10.024 -6.650 -0.884 1.00 0.00 H new ATOM 0 HD3 PRO A 84 11.008 -5.699 0.211 1.00 0.00 H new ATOM 1310 N TYR A 85 10.874 -6.135 -4.357 1.00 0.00 N ATOM 1311 CA TYR A 85 10.311 -6.221 -5.695 1.00 0.00 C ATOM 1312 C TYR A 85 10.248 -4.837 -6.325 1.00 0.00 C ATOM 1313 O TYR A 85 9.749 -4.663 -7.437 1.00 0.00 O ATOM 1314 CB TYR A 85 8.916 -6.846 -5.634 1.00 0.00 C ATOM 1315 CG TYR A 85 8.914 -8.218 -5.002 1.00 0.00 C ATOM 1316 CD1 TYR A 85 9.224 -9.345 -5.749 1.00 0.00 C ATOM 1317 CD2 TYR A 85 8.623 -8.383 -3.653 1.00 0.00 C ATOM 1318 CE1 TYR A 85 9.242 -10.597 -5.172 1.00 0.00 C ATOM 1319 CE2 TYR A 85 8.645 -9.632 -3.067 1.00 0.00 C ATOM 1320 CZ TYR A 85 8.955 -10.735 -3.832 1.00 0.00 C ATOM 1321 OH TYR A 85 8.993 -11.980 -3.252 1.00 0.00 O ATOM 0 H TYR A 85 10.310 -5.597 -3.699 1.00 0.00 H new ATOM 0 HA TYR A 85 10.950 -6.853 -6.311 1.00 0.00 H new ATOM 0 HB2 TYR A 85 8.254 -6.190 -5.069 1.00 0.00 H new ATOM 0 HB3 TYR A 85 8.510 -6.916 -6.643 1.00 0.00 H new ATOM 0 HD1 TYR A 85 9.455 -9.240 -6.799 1.00 0.00 H new ATOM 0 HD2 TYR A 85 8.376 -7.519 -3.054 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.480 -11.466 -5.768 1.00 0.00 H new ATOM 0 HE2 TYR A 85 8.421 -9.744 -2.016 1.00 0.00 H new ATOM 0 HH TYR A 85 8.767 -11.905 -2.301 1.00 0.00 H new ATOM 1331 N GLY A 86 10.774 -3.854 -5.608 1.00 0.00 N ATOM 1332 CA GLY A 86 10.766 -2.495 -6.092 1.00 0.00 C ATOM 1333 C GLY A 86 10.166 -1.538 -5.090 1.00 0.00 C ATOM 1334 O GLY A 86 9.312 -1.917 -4.289 1.00 0.00 O ATOM 0 H GLY A 86 11.208 -3.979 -4.694 1.00 0.00 H new ATOM 0 HA2 GLY A 86 11.786 -2.186 -6.321 1.00 0.00 H new ATOM 0 HA3 GLY A 86 10.201 -2.446 -7.023 1.00 0.00 H new ATOM 1338 N SER A 87 10.630 -0.306 -5.102 1.00 0.00 N ATOM 1339 CA SER A 87 10.106 0.707 -4.212 1.00 0.00 C ATOM 1340 C SER A 87 8.650 1.011 -4.558 1.00 0.00 C ATOM 1341 O SER A 87 8.337 1.386 -5.688 1.00 0.00 O ATOM 1342 CB SER A 87 10.958 1.960 -4.316 1.00 0.00 C ATOM 1343 OG SER A 87 12.338 1.641 -4.235 1.00 0.00 O ATOM 0 H SER A 87 11.372 0.018 -5.722 1.00 0.00 H new ATOM 0 HA SER A 87 10.140 0.342 -3.186 1.00 0.00 H new ATOM 0 HB2 SER A 87 10.752 2.467 -5.259 1.00 0.00 H new ATOM 0 HB3 SER A 87 10.693 2.652 -3.517 1.00 0.00 H new ATOM 0 HG SER A 87 12.868 2.462 -4.305 1.00 0.00 H new ATOM 1349 N ALA A 88 7.773 0.838 -3.586 1.00 0.00 N ATOM 1350 CA ALA A 88 6.351 1.017 -3.805 1.00 0.00 C ATOM 1351 C ALA A 88 5.816 2.157 -2.951 1.00 0.00 C ATOM 1352 O ALA A 88 6.297 2.395 -1.841 1.00 0.00 O ATOM 1353 CB ALA A 88 5.606 -0.273 -3.495 1.00 0.00 C ATOM 0 H ALA A 88 8.023 0.573 -2.633 1.00 0.00 H new ATOM 0 HA ALA A 88 6.191 1.271 -4.853 1.00 0.00 H new ATOM 0 HB1 ALA A 88 4.539 -0.126 -3.663 1.00 0.00 H new ATOM 0 HB2 ALA A 88 5.970 -1.069 -4.145 1.00 0.00 H new ATOM 0 HB3 ALA A 88 5.775 -0.549 -2.454 1.00 0.00 H new ATOM 1359 N TRP A 89 4.833 2.871 -3.480 1.00 0.00 N ATOM 1360 CA TRP A 89 4.215 3.970 -2.752 1.00 0.00 C ATOM 1361 C TRP A 89 3.144 3.450 -1.791 1.00 0.00 C ATOM 1362 O TRP A 89 2.186 2.796 -2.207 1.00 0.00 O ATOM 1363 CB TRP A 89 3.593 4.970 -3.727 1.00 0.00 C ATOM 1364 CG TRP A 89 4.567 5.537 -4.698 1.00 0.00 C ATOM 1365 CD1 TRP A 89 4.743 5.149 -5.988 1.00 0.00 C ATOM 1366 CD2 TRP A 89 5.505 6.595 -4.461 1.00 0.00 C ATOM 1367 NE1 TRP A 89 5.722 5.901 -6.575 1.00 0.00 N ATOM 1368 CE2 TRP A 89 6.210 6.796 -5.660 1.00 0.00 C ATOM 1369 CE3 TRP A 89 5.816 7.391 -3.354 1.00 0.00 C ATOM 1370 CZ2 TRP A 89 7.205 7.762 -5.787 1.00 0.00 C ATOM 1371 CZ3 TRP A 89 6.805 8.350 -3.481 1.00 0.00 C ATOM 1372 CH2 TRP A 89 7.489 8.527 -4.689 1.00 0.00 C ATOM 0 H TRP A 89 4.446 2.709 -4.410 1.00 0.00 H new ATOM 0 HA TRP A 89 4.991 4.471 -2.173 1.00 0.00 H new ATOM 0 HB2 TRP A 89 2.789 4.479 -4.276 1.00 0.00 H new ATOM 0 HB3 TRP A 89 3.141 5.784 -3.161 1.00 0.00 H new ATOM 0 HD1 TRP A 89 4.190 4.361 -6.478 1.00 0.00 H new ATOM 0 HE1 TRP A 89 6.039 5.810 -7.540 1.00 0.00 H new ATOM 0 HE3 TRP A 89 5.294 7.260 -2.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 7.733 7.902 -6.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 7.053 8.972 -2.634 1.00 0.00 H new ATOM 0 HH2 TRP A 89 8.257 9.283 -4.756 1.00 0.00 H new ATOM 1383 N MET A 90 3.326 3.725 -0.507 1.00 0.00 N ATOM 1384 CA MET A 90 2.352 3.354 0.514 1.00 0.00 C ATOM 1385 C MET A 90 1.583 4.585 0.988 1.00 0.00 C ATOM 1386 O MET A 90 2.158 5.469 1.613 1.00 0.00 O ATOM 1387 CB MET A 90 3.069 2.721 1.707 1.00 0.00 C ATOM 1388 CG MET A 90 2.127 2.156 2.756 1.00 0.00 C ATOM 1389 SD MET A 90 3.001 1.532 4.203 1.00 0.00 S ATOM 1390 CE MET A 90 1.630 0.920 5.175 1.00 0.00 C ATOM 0 H MET A 90 4.147 4.209 -0.144 1.00 0.00 H new ATOM 0 HA MET A 90 1.652 2.639 0.082 1.00 0.00 H new ATOM 0 HB2 MET A 90 3.719 1.923 1.347 1.00 0.00 H new ATOM 0 HB3 MET A 90 3.711 3.469 2.173 1.00 0.00 H new ATOM 0 HG2 MET A 90 1.426 2.931 3.065 1.00 0.00 H new ATOM 0 HG3 MET A 90 1.539 1.351 2.316 1.00 0.00 H new ATOM 0 HE1 MET A 90 1.958 0.068 5.771 1.00 0.00 H new ATOM 0 HE2 MET A 90 1.272 1.709 5.836 1.00 0.00 H new ATOM 0 HE3 MET A 90 0.823 0.609 4.511 1.00 0.00 H new ATOM 1400 N TYR A 91 0.292 4.651 0.703 1.00 0.00 N ATOM 1401 CA TYR A 91 -0.498 5.816 1.091 1.00 0.00 C ATOM 1402 C TYR A 91 -0.972 5.704 2.534 1.00 0.00 C ATOM 1403 O TYR A 91 -1.750 4.815 2.890 1.00 0.00 O ATOM 1404 CB TYR A 91 -1.675 6.027 0.140 1.00 0.00 C ATOM 1405 CG TYR A 91 -1.279 6.705 -1.152 1.00 0.00 C ATOM 1406 CD1 TYR A 91 -0.544 6.031 -2.120 1.00 0.00 C ATOM 1407 CD2 TYR A 91 -1.632 8.026 -1.397 1.00 0.00 C ATOM 1408 CE1 TYR A 91 -0.174 6.654 -3.294 1.00 0.00 C ATOM 1409 CE2 TYR A 91 -1.265 8.656 -2.569 1.00 0.00 C ATOM 1410 CZ TYR A 91 -0.537 7.965 -3.515 1.00 0.00 C ATOM 1411 OH TYR A 91 -0.167 8.587 -4.683 1.00 0.00 O ATOM 0 H TYR A 91 -0.228 3.924 0.211 1.00 0.00 H new ATOM 0 HA TYR A 91 0.147 6.692 1.020 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.128 5.062 -0.087 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -2.435 6.627 0.640 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -0.258 5.003 -1.951 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -2.203 8.569 -0.658 1.00 0.00 H new ATOM 0 HE1 TYR A 91 0.397 6.117 -4.036 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -1.546 9.684 -2.744 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.082 9.551 -4.528 1.00 0.00 H new ATOM 1421 N VAL A 92 -0.492 6.624 3.352 1.00 0.00 N ATOM 1422 CA VAL A 92 -0.717 6.593 4.785 1.00 0.00 C ATOM 1423 C VAL A 92 -1.680 7.676 5.231 1.00 0.00 C ATOM 1424 O VAL A 92 -1.698 8.783 4.678 1.00 0.00 O ATOM 1425 CB VAL A 92 0.631 6.736 5.535 1.00 0.00 C ATOM 1426 CG1 VAL A 92 0.456 7.196 6.975 1.00 0.00 C ATOM 1427 CG2 VAL A 92 1.361 5.417 5.509 1.00 0.00 C ATOM 0 H VAL A 92 0.067 7.417 3.039 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.170 5.632 5.028 1.00 0.00 H new ATOM 0 HB VAL A 92 1.210 7.504 5.021 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.433 7.279 7.452 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.038 8.167 6.989 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.152 6.472 7.517 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.310 5.516 6.036 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.753 4.655 5.996 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.549 5.125 4.476 1.00 0.00 H new ATOM 1437 N TYR A 93 -2.503 7.316 6.211 1.00 0.00 N ATOM 1438 CA TYR A 93 -3.318 8.271 6.937 1.00 0.00 C ATOM 1439 C TYR A 93 -2.464 9.472 7.332 1.00 0.00 C ATOM 1440 O TYR A 93 -1.472 9.337 8.042 1.00 0.00 O ATOM 1441 CB TYR A 93 -3.911 7.579 8.174 1.00 0.00 C ATOM 1442 CG TYR A 93 -3.837 8.400 9.451 1.00 0.00 C ATOM 1443 CD1 TYR A 93 -4.595 9.553 9.620 1.00 0.00 C ATOM 1444 CD2 TYR A 93 -2.978 8.027 10.479 1.00 0.00 C ATOM 1445 CE1 TYR A 93 -4.499 10.305 10.776 1.00 0.00 C ATOM 1446 CE2 TYR A 93 -2.875 8.777 11.633 1.00 0.00 C ATOM 1447 CZ TYR A 93 -3.637 9.914 11.778 1.00 0.00 C ATOM 1448 OH TYR A 93 -3.530 10.668 12.923 1.00 0.00 O ATOM 0 H TYR A 93 -2.620 6.351 6.521 1.00 0.00 H new ATOM 0 HA TYR A 93 -4.136 8.628 6.311 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -4.954 7.336 7.973 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -3.388 6.636 8.333 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -5.269 9.866 8.836 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -2.380 7.134 10.372 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.098 11.196 10.894 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.199 8.473 12.419 1.00 0.00 H new ATOM 0 HH TYR A 93 -2.880 10.253 13.528 1.00 0.00 H new ATOM 1458 N GLN A 94 -2.834 10.641 6.851 1.00 0.00 N ATOM 1459 CA GLN A 94 -2.016 11.815 7.074 1.00 0.00 C ATOM 1460 C GLN A 94 -2.617 12.725 8.141 1.00 0.00 C ATOM 1461 O GLN A 94 -1.895 13.458 8.814 1.00 0.00 O ATOM 1462 CB GLN A 94 -1.828 12.558 5.754 1.00 0.00 C ATOM 1463 CG GLN A 94 -0.515 13.310 5.667 1.00 0.00 C ATOM 1464 CD GLN A 94 0.695 12.433 5.941 1.00 0.00 C ATOM 1465 OE1 GLN A 94 1.721 12.913 6.417 1.00 0.00 O ATOM 1466 NE2 GLN A 94 0.586 11.140 5.653 1.00 0.00 N ATOM 0 H GLN A 94 -3.684 10.803 6.310 1.00 0.00 H new ATOM 0 HA GLN A 94 -1.042 11.497 7.446 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -1.884 11.844 4.933 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -2.650 13.261 5.621 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.420 13.749 4.674 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -0.528 14.134 6.380 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -0.282 10.777 5.259 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.370 10.511 5.826 1.00 0.00 H new ATOM 1475 N ARG A 95 -3.937 12.672 8.307 1.00 0.00 N ATOM 1476 CA ARG A 95 -4.604 13.507 9.305 1.00 0.00 C ATOM 1477 C ARG A 95 -6.026 13.039 9.681 1.00 0.00 C ATOM 1478 O ARG A 95 -6.391 13.144 10.847 1.00 0.00 O ATOM 1479 CB ARG A 95 -4.616 14.986 8.881 1.00 0.00 C ATOM 1480 CG ARG A 95 -4.934 15.232 7.414 1.00 0.00 C ATOM 1481 CD ARG A 95 -4.969 16.719 7.094 1.00 0.00 C ATOM 1482 NE ARG A 95 -3.693 17.378 7.372 1.00 0.00 N ATOM 1483 CZ ARG A 95 -2.965 18.011 6.449 1.00 0.00 C ATOM 1484 NH1 ARG A 95 -3.353 18.022 5.178 1.00 0.00 N ATOM 1485 NH2 ARG A 95 -1.843 18.621 6.799 1.00 0.00 N ATOM 0 H ARG A 95 -4.560 12.068 7.771 1.00 0.00 H new ATOM 0 HA ARG A 95 -4.005 13.397 10.209 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -5.348 15.517 9.490 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -3.641 15.420 9.104 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -4.186 14.742 6.791 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -5.896 14.783 7.169 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -5.225 16.856 6.043 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -5.756 17.195 7.678 1.00 0.00 H new ATOM 0 HE ARG A 95 -3.338 17.352 8.328 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -4.212 17.545 4.903 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -2.792 18.507 4.478 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -1.537 18.607 7.772 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -1.285 19.105 6.096 1.00 0.00 H new ATOM 1499 N PRO A 96 -6.866 12.523 8.751 1.00 0.00 N ATOM 1500 CA PRO A 96 -8.247 12.185 9.074 1.00 0.00 C ATOM 1501 C PRO A 96 -8.489 10.700 9.391 1.00 0.00 C ATOM 1502 O PRO A 96 -8.524 9.863 8.488 1.00 0.00 O ATOM 1503 CB PRO A 96 -8.968 12.579 7.786 1.00 0.00 C ATOM 1504 CG PRO A 96 -7.967 12.366 6.687 1.00 0.00 C ATOM 1505 CD PRO A 96 -6.600 12.253 7.330 1.00 0.00 C ATOM 0 HA PRO A 96 -8.583 12.688 9.981 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -9.857 11.968 7.631 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -9.297 13.618 7.822 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -8.202 11.462 6.125 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -7.991 13.196 5.981 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.168 11.263 7.184 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.898 12.973 6.909 1.00 0.00 H new ATOM 1513 N VAL A 97 -8.644 10.384 10.679 1.00 0.00 N ATOM 1514 CA VAL A 97 -9.103 9.060 11.112 1.00 0.00 C ATOM 1515 C VAL A 97 -9.958 9.180 12.371 1.00 0.00 C ATOM 1516 O VAL A 97 -9.449 9.181 13.491 1.00 0.00 O ATOM 1517 CB VAL A 97 -7.958 8.039 11.373 1.00 0.00 C ATOM 1518 CG1 VAL A 97 -7.363 7.535 10.067 1.00 0.00 C ATOM 1519 CG2 VAL A 97 -6.870 8.629 12.261 1.00 0.00 C ATOM 0 H VAL A 97 -8.457 11.031 11.445 1.00 0.00 H new ATOM 0 HA VAL A 97 -9.687 8.671 10.278 1.00 0.00 H new ATOM 0 HB VAL A 97 -8.398 7.192 11.900 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -6.566 6.823 10.281 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.139 7.045 9.479 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.958 8.375 9.504 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -6.088 7.886 12.421 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.443 9.508 11.778 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.300 8.916 13.221 1.00 0.00 H new ATOM 1529 N ASP A 98 -11.260 9.341 12.178 1.00 0.00 N ATOM 1530 CA ASP A 98 -12.230 9.403 13.280 1.00 0.00 C ATOM 1531 C ASP A 98 -12.322 8.091 14.073 1.00 0.00 C ATOM 1532 O ASP A 98 -13.325 7.828 14.736 1.00 0.00 O ATOM 1533 CB ASP A 98 -13.611 9.794 12.744 1.00 0.00 C ATOM 1534 CG ASP A 98 -14.217 8.748 11.828 1.00 0.00 C ATOM 1535 OD1 ASP A 98 -13.765 8.629 10.673 1.00 0.00 O ATOM 1536 OD2 ASP A 98 -15.152 8.042 12.260 1.00 0.00 O ATOM 0 H ASP A 98 -11.681 9.433 11.254 1.00 0.00 H new ATOM 0 HA ASP A 98 -11.872 10.165 13.973 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -14.284 9.965 13.584 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.530 10.737 12.204 1.00 0.00 H new ATOM 1541 N GLY A 99 -11.268 7.297 14.038 1.00 0.00 N ATOM 1542 CA GLY A 99 -11.270 6.014 14.703 1.00 0.00 C ATOM 1543 C GLY A 99 -11.227 4.875 13.714 1.00 0.00 C ATOM 1544 O GLY A 99 -10.221 4.174 13.610 1.00 0.00 O ATOM 0 H GLY A 99 -10.399 7.522 13.554 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -10.411 5.949 15.371 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -12.163 5.926 15.322 1.00 0.00 H new ATOM 1548 N LEU A 100 -12.325 4.711 12.979 1.00 0.00 N ATOM 1549 CA LEU A 100 -12.451 3.665 11.962 1.00 0.00 C ATOM 1550 C LEU A 100 -12.339 2.274 12.583 1.00 0.00 C ATOM 1551 O LEU A 100 -12.372 2.117 13.807 1.00 0.00 O ATOM 1552 CB LEU A 100 -11.375 3.832 10.879 1.00 0.00 C ATOM 1553 CG LEU A 100 -11.330 5.205 10.205 1.00 0.00 C ATOM 1554 CD1 LEU A 100 -10.239 5.248 9.148 1.00 0.00 C ATOM 1555 CD2 LEU A 100 -12.678 5.543 9.594 1.00 0.00 C ATOM 0 H LEU A 100 -13.154 5.299 13.070 1.00 0.00 H new ATOM 0 HA LEU A 100 -13.437 3.765 11.508 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.401 3.633 11.325 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -11.535 3.074 10.112 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.100 5.952 10.965 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -10.224 6.233 8.681 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.273 5.052 9.614 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -10.437 4.490 8.390 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.627 6.523 9.119 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.938 4.792 8.848 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.438 5.558 10.375 1.00 0.00 H new ATOM 1567 N LYS A 101 -12.233 1.259 11.737 1.00 0.00 N ATOM 1568 CA LYS A 101 -11.984 -0.092 12.207 1.00 0.00 C ATOM 1569 C LYS A 101 -10.566 -0.503 11.840 1.00 0.00 C ATOM 1570 O LYS A 101 -10.232 -0.635 10.660 1.00 0.00 O ATOM 1571 CB LYS A 101 -12.996 -1.081 11.624 1.00 0.00 C ATOM 1572 CG LYS A 101 -12.755 -2.520 12.060 1.00 0.00 C ATOM 1573 CD LYS A 101 -13.831 -3.459 11.540 1.00 0.00 C ATOM 1574 CE LYS A 101 -15.175 -3.196 12.200 1.00 0.00 C ATOM 1575 NZ LYS A 101 -15.122 -3.395 13.675 1.00 0.00 N ATOM 0 H LYS A 101 -12.316 1.347 10.724 1.00 0.00 H new ATOM 0 HA LYS A 101 -12.098 -0.108 13.291 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -14.000 -0.781 11.924 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -12.960 -1.028 10.536 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -11.781 -2.850 11.700 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -12.726 -2.569 13.148 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -13.926 -3.341 10.461 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -13.532 -4.491 11.722 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -15.492 -2.176 11.983 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -15.925 -3.860 11.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -16.087 -3.508 14.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -14.566 -4.247 13.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -14.675 -2.569 14.121 1.00 0.00 H new ATOM 1589 N LEU A 102 -9.732 -0.681 12.850 1.00 0.00 N ATOM 1590 CA LEU A 102 -8.339 -1.025 12.640 1.00 0.00 C ATOM 1591 C LEU A 102 -8.172 -2.536 12.540 1.00 0.00 C ATOM 1592 O LEU A 102 -8.597 -3.285 13.422 1.00 0.00 O ATOM 1593 CB LEU A 102 -7.481 -0.443 13.774 1.00 0.00 C ATOM 1594 CG LEU A 102 -5.971 -0.688 13.661 1.00 0.00 C ATOM 1595 CD1 LEU A 102 -5.202 0.506 14.202 1.00 0.00 C ATOM 1596 CD2 LEU A 102 -5.568 -1.944 14.419 1.00 0.00 C ATOM 0 H LEU A 102 -10.000 -0.592 13.830 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.002 -0.592 11.698 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.653 0.632 13.819 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -7.828 -0.862 14.719 1.00 0.00 H new ATOM 0 HG LEU A 102 -5.728 -0.824 12.607 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.132 0.319 14.116 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -5.462 1.396 13.629 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -5.460 0.661 15.250 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -4.493 -2.097 14.324 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -5.827 -1.833 15.472 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -6.095 -2.804 14.005 1.00 0.00 H new ATOM 1608 N ILE A 103 -7.565 -2.978 11.453 1.00 0.00 N ATOM 1609 CA ILE A 103 -7.303 -4.383 11.236 1.00 0.00 C ATOM 1610 C ILE A 103 -5.813 -4.648 11.396 1.00 0.00 C ATOM 1611 O ILE A 103 -5.044 -4.484 10.449 1.00 0.00 O ATOM 1612 CB ILE A 103 -7.726 -4.843 9.822 1.00 0.00 C ATOM 1613 CG1 ILE A 103 -9.120 -4.323 9.459 1.00 0.00 C ATOM 1614 CG2 ILE A 103 -7.694 -6.363 9.733 1.00 0.00 C ATOM 1615 CD1 ILE A 103 -9.538 -4.652 8.037 1.00 0.00 C ATOM 0 H ILE A 103 -7.242 -2.372 10.699 1.00 0.00 H new ATOM 0 HA ILE A 103 -7.886 -4.940 11.970 1.00 0.00 H new ATOM 0 HB ILE A 103 -7.016 -4.427 9.108 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -9.848 -4.746 10.151 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -9.143 -3.242 9.595 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -7.994 -6.675 8.733 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -6.684 -6.718 9.937 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -8.382 -6.785 10.466 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -10.535 -4.253 7.849 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -8.831 -4.206 7.337 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -9.548 -5.734 7.902 1.00 0.00 H new ATOM 1627 N GLU A 104 -5.400 -5.009 12.604 1.00 0.00 N ATOM 1628 CA GLU A 104 -4.014 -5.400 12.843 1.00 0.00 C ATOM 1629 C GLU A 104 -3.691 -6.709 12.122 1.00 0.00 C ATOM 1630 O GLU A 104 -2.528 -7.090 11.983 1.00 0.00 O ATOM 1631 CB GLU A 104 -3.713 -5.490 14.351 1.00 0.00 C ATOM 1632 CG GLU A 104 -4.828 -6.088 15.204 1.00 0.00 C ATOM 1633 CD GLU A 104 -5.065 -7.562 14.941 1.00 0.00 C ATOM 1634 OE1 GLU A 104 -4.393 -8.403 15.580 1.00 0.00 O ATOM 1635 OE2 GLU A 104 -5.923 -7.883 14.097 1.00 0.00 O ATOM 0 H GLU A 104 -5.999 -5.040 13.429 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.365 -4.627 12.432 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -2.812 -6.087 14.490 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -3.492 -4.489 14.721 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.583 -5.950 16.257 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.752 -5.540 15.017 1.00 0.00 H new ATOM 1642 N SER A 105 -4.745 -7.393 11.687 1.00 0.00 N ATOM 1643 CA SER A 105 -4.622 -8.608 10.892 1.00 0.00 C ATOM 1644 C SER A 105 -4.166 -8.278 9.470 1.00 0.00 C ATOM 1645 O SER A 105 -3.624 -9.131 8.767 1.00 0.00 O ATOM 1646 CB SER A 105 -5.959 -9.350 10.862 1.00 0.00 C ATOM 1647 OG SER A 105 -6.384 -9.688 12.176 1.00 0.00 O ATOM 0 H SER A 105 -5.709 -7.119 11.877 1.00 0.00 H new ATOM 0 HA SER A 105 -3.871 -9.250 11.351 1.00 0.00 H new ATOM 0 HB2 SER A 105 -6.714 -8.728 10.381 1.00 0.00 H new ATOM 0 HB3 SER A 105 -5.863 -10.255 10.263 1.00 0.00 H new ATOM 0 HG SER A 105 -5.986 -9.065 12.819 1.00 0.00 H new ATOM 1653 N GLY A 106 -4.410 -7.034 9.059 1.00 0.00 N ATOM 1654 CA GLY A 106 -3.964 -6.560 7.761 1.00 0.00 C ATOM 1655 C GLY A 106 -4.569 -7.315 6.592 1.00 0.00 C ATOM 1656 O GLY A 106 -3.888 -7.572 5.603 1.00 0.00 O ATOM 0 H GLY A 106 -4.915 -6.340 9.611 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -4.212 -5.503 7.666 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -2.878 -6.639 7.709 1.00 0.00 H new ATOM 1660 N ASP A 107 -5.841 -7.670 6.699 1.00 0.00 N ATOM 1661 CA ASP A 107 -6.541 -8.316 5.597 1.00 0.00 C ATOM 1662 C ASP A 107 -7.972 -7.801 5.532 1.00 0.00 C ATOM 1663 O ASP A 107 -8.557 -7.440 6.552 1.00 0.00 O ATOM 1664 CB ASP A 107 -6.523 -9.839 5.744 1.00 0.00 C ATOM 1665 CG ASP A 107 -6.990 -10.545 4.485 1.00 0.00 C ATOM 1666 OD1 ASP A 107 -8.216 -10.611 4.250 1.00 0.00 O ATOM 1667 OD2 ASP A 107 -6.132 -11.036 3.721 1.00 0.00 O ATOM 0 H ASP A 107 -6.408 -7.523 7.534 1.00 0.00 H new ATOM 0 HA ASP A 107 -6.027 -8.071 4.667 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -5.512 -10.166 5.988 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -7.162 -10.129 6.578 1.00 0.00 H new ATOM 1672 N TRP A 108 -8.526 -7.771 4.331 1.00 0.00 N ATOM 1673 CA TRP A 108 -9.815 -7.138 4.086 1.00 0.00 C ATOM 1674 C TRP A 108 -10.953 -8.120 4.287 1.00 0.00 C ATOM 1675 O TRP A 108 -12.077 -7.733 4.601 1.00 0.00 O ATOM 1676 CB TRP A 108 -9.897 -6.584 2.650 1.00 0.00 C ATOM 1677 CG TRP A 108 -8.770 -7.016 1.773 1.00 0.00 C ATOM 1678 CD1 TRP A 108 -8.818 -7.824 0.677 1.00 0.00 C ATOM 1679 CD2 TRP A 108 -7.413 -6.655 1.953 1.00 0.00 C ATOM 1680 NE1 TRP A 108 -7.552 -7.976 0.157 1.00 0.00 N ATOM 1681 CE2 TRP A 108 -6.669 -7.266 0.935 1.00 0.00 C ATOM 1682 CE3 TRP A 108 -6.769 -5.868 2.893 1.00 0.00 C ATOM 1683 CZ2 TRP A 108 -5.291 -7.102 0.836 1.00 0.00 C ATOM 1684 CZ3 TRP A 108 -5.420 -5.706 2.810 1.00 0.00 C ATOM 1685 CH2 TRP A 108 -4.683 -6.320 1.785 1.00 0.00 C ATOM 0 H TRP A 108 -8.099 -8.182 3.501 1.00 0.00 H new ATOM 0 HA TRP A 108 -9.907 -6.320 4.800 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -10.838 -6.903 2.201 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -9.916 -5.495 2.691 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -9.713 -8.277 0.277 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -7.310 -8.524 -0.668 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -7.330 -5.389 3.682 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -4.724 -7.571 0.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -4.910 -5.097 3.542 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -3.614 -6.173 1.743 1.00 0.00 H new ATOM 1696 N LEU A 109 -10.650 -9.392 4.104 1.00 0.00 N ATOM 1697 CA LEU A 109 -11.680 -10.408 4.000 1.00 0.00 C ATOM 1698 C LEU A 109 -11.558 -11.447 5.107 1.00 0.00 C ATOM 1699 O LEU A 109 -12.553 -12.053 5.515 1.00 0.00 O ATOM 1700 CB LEU A 109 -11.580 -11.070 2.628 1.00 0.00 C ATOM 1701 CG LEU A 109 -11.656 -10.090 1.454 1.00 0.00 C ATOM 1702 CD1 LEU A 109 -11.207 -10.753 0.166 1.00 0.00 C ATOM 1703 CD2 LEU A 109 -13.067 -9.544 1.308 1.00 0.00 C ATOM 0 H LEU A 109 -9.697 -9.746 4.024 1.00 0.00 H new ATOM 0 HA LEU A 109 -12.655 -9.935 4.114 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -10.640 -11.619 2.569 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -12.383 -11.801 2.530 1.00 0.00 H new ATOM 0 HG LEU A 109 -10.982 -9.259 1.661 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -11.270 -10.037 -0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -10.177 -11.093 0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -11.851 -11.606 -0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -13.103 -8.849 0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -13.759 -10.367 1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -13.352 -9.024 2.222 1.00 0.00 H new ATOM 1715 N ASP A 110 -10.341 -11.650 5.594 1.00 0.00 N ATOM 1716 CA ASP A 110 -10.100 -12.602 6.669 1.00 0.00 C ATOM 1717 C ASP A 110 -10.440 -11.974 8.016 1.00 0.00 C ATOM 1718 O ASP A 110 -9.566 -11.520 8.751 1.00 0.00 O ATOM 1719 CB ASP A 110 -8.647 -13.091 6.660 1.00 0.00 C ATOM 1720 CG ASP A 110 -8.422 -14.270 7.589 1.00 0.00 C ATOM 1721 OD1 ASP A 110 -8.882 -15.383 7.260 1.00 0.00 O ATOM 1722 OD2 ASP A 110 -7.772 -14.098 8.642 1.00 0.00 O ATOM 0 H ASP A 110 -9.506 -11.168 5.261 1.00 0.00 H new ATOM 0 HA ASP A 110 -10.746 -13.465 6.508 1.00 0.00 H new ATOM 0 HB2 ASP A 110 -8.369 -13.375 5.645 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -7.990 -12.272 6.953 1.00 0.00 H new ATOM 1727 N ARG A 111 -11.732 -11.888 8.294 1.00 0.00 N ATOM 1728 CA ARG A 111 -12.212 -11.400 9.579 1.00 0.00 C ATOM 1729 C ARG A 111 -13.003 -12.502 10.259 1.00 0.00 C ATOM 1730 O ARG A 111 -12.698 -12.923 11.373 1.00 0.00 O ATOM 1731 CB ARG A 111 -13.130 -10.186 9.401 1.00 0.00 C ATOM 1732 CG ARG A 111 -12.771 -9.279 8.237 1.00 0.00 C ATOM 1733 CD ARG A 111 -13.813 -8.186 8.072 1.00 0.00 C ATOM 1734 NE ARG A 111 -13.786 -7.586 6.741 1.00 0.00 N ATOM 1735 CZ ARG A 111 -14.834 -6.993 6.171 1.00 0.00 C ATOM 1736 NH1 ARG A 111 -15.983 -6.881 6.829 1.00 0.00 N ATOM 1737 NH2 ARG A 111 -14.735 -6.508 4.940 1.00 0.00 N ATOM 0 H ARG A 111 -12.471 -12.152 7.643 1.00 0.00 H new ATOM 0 HA ARG A 111 -11.351 -11.107 10.179 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -14.153 -10.539 9.266 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -13.114 -9.599 10.319 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -11.791 -8.833 8.405 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -12.702 -9.865 7.320 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -14.803 -8.601 8.260 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -13.644 -7.411 8.820 1.00 0.00 H new ATOM 0 HE ARG A 111 -12.912 -7.623 6.216 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -16.066 -7.250 7.776 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -16.782 -6.426 6.387 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -13.856 -6.589 4.429 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -15.538 -6.054 4.505 1.00 0.00 H new ATOM 1751 N ASP A 112 -14.019 -12.970 9.549 1.00 0.00 N ATOM 1752 CA ASP A 112 -14.912 -13.997 10.036 1.00 0.00 C ATOM 1753 C ASP A 112 -15.398 -14.841 8.875 1.00 0.00 C ATOM 1754 O ASP A 112 -16.187 -14.401 8.040 1.00 0.00 O ATOM 1755 CB ASP A 112 -16.094 -13.381 10.783 1.00 0.00 C ATOM 1756 CG ASP A 112 -17.255 -14.345 10.948 1.00 0.00 C ATOM 1757 OD1 ASP A 112 -17.041 -15.499 11.396 1.00 0.00 O ATOM 1758 OD2 ASP A 112 -18.387 -13.954 10.605 1.00 0.00 O ATOM 0 H ASP A 112 -14.244 -12.641 8.610 1.00 0.00 H new ATOM 0 HA ASP A 112 -14.369 -14.632 10.736 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -15.762 -13.048 11.766 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -16.436 -12.497 10.246 1.00 0.00 H new ATOM 1763 N LYS A 113 -14.839 -16.022 8.787 1.00 0.00 N ATOM 1764 CA LYS A 113 -15.272 -17.029 7.834 1.00 0.00 C ATOM 1765 C LYS A 113 -15.613 -18.297 8.580 1.00 0.00 C ATOM 1766 O LYS A 113 -15.929 -19.336 8.002 1.00 0.00 O ATOM 1767 CB LYS A 113 -14.150 -17.312 6.849 1.00 0.00 C ATOM 1768 CG LYS A 113 -12.882 -17.822 7.520 1.00 0.00 C ATOM 1769 CD LYS A 113 -11.776 -18.123 6.521 1.00 0.00 C ATOM 1770 CE LYS A 113 -11.296 -16.869 5.806 1.00 0.00 C ATOM 1771 NZ LYS A 113 -10.015 -17.103 5.091 1.00 0.00 N ATOM 0 H LYS A 113 -14.063 -16.320 9.378 1.00 0.00 H new ATOM 0 HA LYS A 113 -16.147 -16.670 7.292 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -14.490 -18.049 6.121 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -13.921 -16.401 6.297 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -12.529 -17.079 8.235 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -13.112 -18.725 8.086 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -10.937 -18.589 7.038 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -12.137 -18.843 5.787 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -12.055 -16.541 5.096 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -11.168 -16.064 6.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -9.247 -16.602 5.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -9.808 -18.122 5.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -10.092 -16.749 4.116 1.00 0.00 H new TER 1785 LYS A 113