USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 628 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 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 117 GLN : amide:sc= 0 K(o=0,f=-3.6!) USER MOD Single : A 59 MET CE :methyl 171:sc= 0 (180deg=-0.14) USER MOD Single : A 60 THR OG1 : rot 119:sc= -2.08! USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 179:sc= 1.18 (180deg=1.15) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.452 F(o=-3.7!,f=-0.45) USER MOD Single : A 70 SER OG : rot -103:sc= 1.23 USER MOD Single : A 71 LYS NZ :NH3+ -167:sc= 1.22 (180deg=0.806) USER MOD Single : A 72 ASN : amide:sc= -0.0208 X(o=-0.021,f=-0.4) USER MOD Single : A 74 SER OG : rot -58:sc= 1.23 USER MOD Single : A 75 LYS NZ :NH3+ 167:sc= -0.0151 (180deg=-0.227) USER MOD Single : A 76 MET CE :methyl 170:sc= -0.0103 (180deg=-0.179) USER MOD Single : A 78 LYS NZ :NH3+ 152:sc= -1.37 (180deg=-2.15) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 81 SER OG : rot 180:sc= 0.0119 USER MOD Single : A 83 SER OG : rot 61:sc= 1.2 USER MOD Single : A 84 THR OG1 : rot -142:sc= 0.881 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 130:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0121 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot -117:sc= 0.944 USER MOD Single : A 103 MET CE :methyl -158:sc= -1.01 (180deg=-2.23!) USER MOD Single : A 108 LYS NZ :NH3+ -175:sc= -1.76! (180deg=-1.99!) USER MOD Single : A 109 THR OG1 : rot -179:sc= -0.096 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 MET CE :methyl 151:sc= -0.17 (180deg=-1.3) USER MOD Single : A 120 HIS : no HD1:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 133 SER OG : rot 170:sc= -1.77! USER MOD Single : A 136 LYS NZ :NH3+ -174:sc= 0.63 (180deg=0.587) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 58 11.776 5.503 5.570 1.00 0.67 N ATOM 2 CA GLU A 58 12.145 5.219 4.165 1.00 0.44 C ATOM 3 C GLU A 58 11.050 4.401 3.472 1.00 0.28 C ATOM 4 O GLU A 58 11.007 3.183 3.624 1.00 0.22 O ATOM 5 CB GLU A 58 13.470 4.465 4.146 1.00 0.74 C ATOM 6 CG GLU A 58 13.809 3.886 2.797 1.00 0.46 C ATOM 7 CD GLU A 58 15.155 3.204 2.791 1.00 1.11 C ATOM 8 OE1 GLU A 58 16.170 3.888 2.571 1.00 1.28 O ATOM 9 OE2 GLU A 58 15.199 1.976 3.003 1.00 1.82 O ATOM 0 HA GLU A 58 12.251 6.158 3.621 1.00 0.44 H new ATOM 0 HB2 GLU A 58 14.268 5.140 4.455 1.00 0.74 H new ATOM 0 HB3 GLU A 58 13.432 3.660 4.880 1.00 0.74 H new ATOM 0 HG2 GLU A 58 13.040 3.170 2.507 1.00 0.46 H new ATOM 0 HG3 GLU A 58 13.803 4.680 2.051 1.00 0.46 H new ATOM 16 N MET A 59 10.123 5.070 2.751 1.00 0.25 N ATOM 17 CA MET A 59 9.032 4.352 2.098 1.00 0.17 C ATOM 18 C MET A 59 8.184 5.221 1.145 1.00 0.20 C ATOM 19 O MET A 59 7.772 6.319 1.486 1.00 0.29 O ATOM 20 CB MET A 59 8.140 3.748 3.181 1.00 0.16 C ATOM 21 CG MET A 59 7.647 4.766 4.215 1.00 0.25 C ATOM 22 SD MET A 59 8.869 5.237 5.457 1.00 0.75 S ATOM 23 CE MET A 59 7.901 6.350 6.476 1.00 0.59 C ATOM 0 H MET A 59 10.115 6.081 2.615 1.00 0.25 H new ATOM 0 HA MET A 59 9.482 3.583 1.470 1.00 0.17 H new ATOM 0 HB2 MET A 59 7.278 3.278 2.708 1.00 0.16 H new ATOM 0 HB3 MET A 59 8.691 2.960 3.695 1.00 0.16 H new ATOM 0 HG2 MET A 59 7.317 5.663 3.692 1.00 0.25 H new ATOM 0 HG3 MET A 59 6.775 4.354 4.722 1.00 0.25 H new ATOM 0 HE1 MET A 59 8.463 6.601 7.375 1.00 0.59 H new ATOM 0 HE2 MET A 59 7.685 7.260 5.917 1.00 0.59 H new ATOM 0 HE3 MET A 59 6.965 5.866 6.756 1.00 0.59 H new ATOM 33 N THR A 60 7.918 4.678 -0.042 1.00 0.19 N ATOM 34 CA THR A 60 7.131 5.337 -1.094 1.00 0.22 C ATOM 35 C THR A 60 5.628 5.141 -0.891 1.00 0.18 C ATOM 36 O THR A 60 5.155 4.022 -0.789 1.00 0.17 O ATOM 37 CB THR A 60 7.527 4.755 -2.467 1.00 0.29 C ATOM 38 OG1 THR A 60 8.903 5.043 -2.745 1.00 0.37 O ATOM 39 CG2 THR A 60 6.641 5.277 -3.586 1.00 0.34 C ATOM 0 H THR A 60 8.248 3.750 -0.309 1.00 0.19 H new ATOM 0 HA THR A 60 7.345 6.405 -1.048 1.00 0.22 H new ATOM 0 HB THR A 60 7.386 3.675 -2.420 1.00 0.29 H new ATOM 0 HG1 THR A 60 9.399 4.204 -2.843 1.00 0.37 H new ATOM 0 HG21 THR A 60 6.957 4.841 -4.534 1.00 0.34 H new ATOM 0 HG22 THR A 60 5.605 5.003 -3.387 1.00 0.34 H new ATOM 0 HG23 THR A 60 6.725 6.362 -3.641 1.00 0.34 H new ATOM 47 N ARG A 61 4.878 6.227 -0.898 1.00 0.20 N ATOM 48 CA ARG A 61 3.471 6.181 -0.531 1.00 0.18 C ATOM 49 C ARG A 61 2.562 6.108 -1.761 1.00 0.17 C ATOM 50 O ARG A 61 2.592 6.990 -2.618 1.00 0.18 O ATOM 51 CB ARG A 61 3.132 7.417 0.298 1.00 0.22 C ATOM 52 CG ARG A 61 1.913 7.238 1.177 1.00 0.33 C ATOM 53 CD ARG A 61 1.652 8.469 2.028 1.00 0.42 C ATOM 54 NE ARG A 61 1.832 8.163 3.447 1.00 0.84 N ATOM 55 CZ ARG A 61 1.027 8.574 4.420 1.00 1.13 C ATOM 56 NH1 ARG A 61 0.036 9.422 4.171 1.00 1.32 N ATOM 57 NH2 ARG A 61 1.236 8.142 5.654 1.00 1.91 N ATOM 0 H ARG A 61 5.218 7.154 -1.154 1.00 0.20 H new ATOM 0 HA ARG A 61 3.299 5.277 0.053 1.00 0.18 H new ATOM 0 HB2 ARG A 61 3.987 7.671 0.924 1.00 0.22 H new ATOM 0 HB3 ARG A 61 2.966 8.260 -0.372 1.00 0.22 H new ATOM 0 HG2 ARG A 61 1.042 7.034 0.555 1.00 0.33 H new ATOM 0 HG3 ARG A 61 2.054 6.371 1.823 1.00 0.33 H new ATOM 0 HD2 ARG A 61 2.330 9.271 1.735 1.00 0.42 H new ATOM 0 HD3 ARG A 61 0.638 8.829 1.854 1.00 0.42 H new ATOM 0 HE ARG A 61 2.635 7.592 3.709 1.00 0.84 H new ATOM 0 HH11 ARG A 61 -0.115 9.766 3.223 1.00 1.32 H new ATOM 0 HH12 ARG A 61 -0.575 9.729 4.928 1.00 1.32 H new ATOM 0 HH21 ARG A 61 2.007 7.502 5.847 1.00 1.91 H new ATOM 0 HH22 ARG A 61 0.626 8.449 6.412 1.00 1.91 H new ATOM 71 N LEU A 62 1.779 5.034 -1.848 1.00 0.16 N ATOM 72 CA LEU A 62 0.745 4.898 -2.876 1.00 0.15 C ATOM 73 C LEU A 62 -0.635 4.969 -2.236 1.00 0.12 C ATOM 74 O LEU A 62 -0.917 4.245 -1.285 1.00 0.20 O ATOM 75 CB LEU A 62 0.859 3.576 -3.677 1.00 0.23 C ATOM 76 CG LEU A 62 1.917 2.567 -3.232 1.00 0.20 C ATOM 77 CD1 LEU A 62 1.705 1.267 -3.976 1.00 0.28 C ATOM 78 CD2 LEU A 62 3.331 3.084 -3.478 1.00 0.32 C ATOM 0 H LEU A 62 1.841 4.238 -1.213 1.00 0.16 H new ATOM 0 HA LEU A 62 0.891 5.722 -3.575 1.00 0.15 H new ATOM 0 HB2 LEU A 62 -0.111 3.080 -3.647 1.00 0.23 H new ATOM 0 HB3 LEU A 62 1.055 3.830 -4.719 1.00 0.23 H new ATOM 0 HG LEU A 62 1.810 2.408 -2.159 1.00 0.20 H new ATOM 0 HD11 LEU A 62 2.457 0.542 -3.663 1.00 0.28 H new ATOM 0 HD12 LEU A 62 0.711 0.878 -3.753 1.00 0.28 H new ATOM 0 HD13 LEU A 62 1.794 1.443 -5.048 1.00 0.28 H new ATOM 0 HD21 LEU A 62 4.054 2.338 -3.148 1.00 0.32 H new ATOM 0 HD22 LEU A 62 3.468 3.277 -4.542 1.00 0.32 H new ATOM 0 HD23 LEU A 62 3.483 4.008 -2.920 1.00 0.32 H new ATOM 90 N MET A 63 -1.491 5.845 -2.746 1.00 0.10 N ATOM 91 CA MET A 63 -2.855 5.930 -2.252 1.00 0.13 C ATOM 92 C MET A 63 -3.712 4.854 -2.894 1.00 0.18 C ATOM 93 O MET A 63 -3.671 4.644 -4.109 1.00 0.39 O ATOM 94 CB MET A 63 -3.478 7.307 -2.512 1.00 0.18 C ATOM 95 CG MET A 63 -3.785 7.587 -3.977 1.00 0.29 C ATOM 96 SD MET A 63 -4.844 9.029 -4.211 1.00 1.09 S ATOM 97 CE MET A 63 -5.074 8.983 -5.989 1.00 1.80 C ATOM 0 H MET A 63 -1.266 6.500 -3.495 1.00 0.10 H new ATOM 0 HA MET A 63 -2.818 5.779 -1.173 1.00 0.13 H new ATOM 0 HB2 MET A 63 -4.400 7.391 -1.937 1.00 0.18 H new ATOM 0 HB3 MET A 63 -2.800 8.076 -2.141 1.00 0.18 H new ATOM 0 HG2 MET A 63 -2.850 7.738 -4.516 1.00 0.29 H new ATOM 0 HG3 MET A 63 -4.268 6.713 -4.415 1.00 0.29 H new ATOM 0 HE1 MET A 63 -5.710 9.814 -6.295 1.00 1.80 H new ATOM 0 HE2 MET A 63 -4.106 9.065 -6.483 1.00 1.80 H new ATOM 0 HE3 MET A 63 -5.546 8.042 -6.271 1.00 1.80 H new ATOM 107 N VAL A 64 -4.459 4.163 -2.066 1.00 0.11 N ATOM 108 CA VAL A 64 -5.401 3.165 -2.519 1.00 0.11 C ATOM 109 C VAL A 64 -6.803 3.617 -2.133 1.00 0.16 C ATOM 110 O VAL A 64 -6.956 4.334 -1.158 1.00 0.42 O ATOM 111 CB VAL A 64 -5.099 1.795 -1.871 1.00 0.14 C ATOM 112 CG1 VAL A 64 -6.019 0.722 -2.409 1.00 0.17 C ATOM 113 CG2 VAL A 64 -3.641 1.402 -2.080 1.00 0.18 C ATOM 0 H VAL A 64 -4.431 4.277 -1.053 1.00 0.11 H new ATOM 0 HA VAL A 64 -5.320 3.054 -3.600 1.00 0.11 H new ATOM 0 HB VAL A 64 -5.278 1.890 -0.800 1.00 0.14 H new ATOM 0 HG11 VAL A 64 -5.783 -0.231 -1.935 1.00 0.17 H new ATOM 0 HG12 VAL A 64 -7.054 0.988 -2.193 1.00 0.17 H new ATOM 0 HG13 VAL A 64 -5.884 0.634 -3.487 1.00 0.17 H new ATOM 0 HG21 VAL A 64 -3.455 0.434 -1.614 1.00 0.18 H new ATOM 0 HG22 VAL A 64 -3.431 1.338 -3.148 1.00 0.18 H new ATOM 0 HG23 VAL A 64 -2.993 2.153 -1.628 1.00 0.18 H new ATOM 123 N THR A 65 -7.816 3.244 -2.893 1.00 0.19 N ATOM 124 CA THR A 65 -9.176 3.630 -2.546 1.00 0.19 C ATOM 125 C THR A 65 -10.103 2.432 -2.517 1.00 0.20 C ATOM 126 O THR A 65 -10.159 1.647 -3.464 1.00 0.24 O ATOM 127 CB THR A 65 -9.741 4.697 -3.496 1.00 0.22 C ATOM 128 OG1 THR A 65 -9.207 4.517 -4.816 1.00 0.29 O ATOM 129 CG2 THR A 65 -9.428 6.094 -2.982 1.00 0.25 C ATOM 0 H THR A 65 -7.729 2.684 -3.741 1.00 0.19 H new ATOM 0 HA THR A 65 -9.122 4.061 -1.546 1.00 0.19 H new ATOM 0 HB THR A 65 -10.824 4.584 -3.538 1.00 0.22 H new ATOM 0 HG1 THR A 65 -9.575 5.201 -5.414 1.00 0.29 H new ATOM 0 HG21 THR A 65 -9.837 6.835 -3.669 1.00 0.25 H new ATOM 0 HG22 THR A 65 -9.875 6.228 -1.997 1.00 0.25 H new ATOM 0 HG23 THR A 65 -8.348 6.222 -2.911 1.00 0.25 H new ATOM 137 N GLU A 66 -10.828 2.302 -1.421 1.00 0.20 N ATOM 138 CA GLU A 66 -11.741 1.198 -1.234 1.00 0.22 C ATOM 139 C GLU A 66 -13.182 1.656 -1.446 1.00 0.24 C ATOM 140 O GLU A 66 -13.740 2.394 -0.633 1.00 0.31 O ATOM 141 CB GLU A 66 -11.577 0.607 0.165 1.00 0.25 C ATOM 142 CG GLU A 66 -10.170 0.114 0.471 1.00 0.35 C ATOM 143 CD GLU A 66 -9.191 1.235 0.751 1.00 0.54 C ATOM 144 OE1 GLU A 66 -9.348 1.913 1.785 1.00 0.79 O ATOM 145 OE2 GLU A 66 -8.269 1.442 -0.063 1.00 0.92 O ATOM 0 H GLU A 66 -10.798 2.958 -0.640 1.00 0.20 H new ATOM 0 HA GLU A 66 -11.509 0.428 -1.970 1.00 0.22 H new ATOM 0 HB2 GLU A 66 -11.854 1.362 0.901 1.00 0.25 H new ATOM 0 HB3 GLU A 66 -12.274 -0.223 0.281 1.00 0.25 H new ATOM 0 HG2 GLU A 66 -10.205 -0.552 1.333 1.00 0.35 H new ATOM 0 HG3 GLU A 66 -9.807 -0.474 -0.372 1.00 0.35 H new ATOM 152 N LYS A 67 -13.786 1.192 -2.533 1.00 0.23 N ATOM 153 CA LYS A 67 -15.158 1.556 -2.887 1.00 0.26 C ATOM 154 C LYS A 67 -15.836 0.374 -3.561 1.00 0.26 C ATOM 155 O LYS A 67 -15.280 -0.703 -3.570 1.00 0.27 O ATOM 156 CB LYS A 67 -15.190 2.799 -3.800 1.00 0.32 C ATOM 157 CG LYS A 67 -14.336 2.689 -5.064 1.00 0.36 C ATOM 158 CD LYS A 67 -12.866 2.956 -4.780 1.00 0.34 C ATOM 159 CE LYS A 67 -11.995 2.737 -6.009 1.00 0.53 C ATOM 160 NZ LYS A 67 -12.314 3.692 -7.102 1.00 0.93 N ATOM 0 H LYS A 67 -13.343 0.554 -3.194 1.00 0.23 H new ATOM 0 HA LYS A 67 -15.699 1.809 -1.976 1.00 0.26 H new ATOM 0 HB2 LYS A 67 -16.222 2.992 -4.092 1.00 0.32 H new ATOM 0 HB3 LYS A 67 -14.855 3.663 -3.226 1.00 0.32 H new ATOM 0 HG2 LYS A 67 -14.448 1.693 -5.492 1.00 0.36 H new ATOM 0 HG3 LYS A 67 -14.697 3.399 -5.809 1.00 0.36 H new ATOM 0 HD2 LYS A 67 -12.746 3.981 -4.429 1.00 0.34 H new ATOM 0 HD3 LYS A 67 -12.528 2.302 -3.976 1.00 0.34 H new ATOM 0 HE2 LYS A 67 -10.946 2.842 -5.732 1.00 0.53 H new ATOM 0 HE3 LYS A 67 -12.129 1.717 -6.370 1.00 0.53 H new ATOM 0 HZ1 LYS A 67 -11.685 3.516 -7.911 1.00 0.93 H new ATOM 0 HZ2 LYS A 67 -13.303 3.564 -7.398 1.00 0.93 H new ATOM 0 HZ3 LYS A 67 -12.178 4.666 -6.763 1.00 0.93 H new ATOM 174 N GLN A 68 -17.016 0.565 -4.136 1.00 0.33 N ATOM 175 CA GLN A 68 -17.740 -0.546 -4.775 1.00 0.41 C ATOM 176 C GLN A 68 -16.858 -1.265 -5.801 1.00 0.42 C ATOM 177 O GLN A 68 -17.102 -2.417 -6.163 1.00 0.53 O ATOM 178 CB GLN A 68 -19.025 -0.046 -5.445 1.00 0.49 C ATOM 179 CG GLN A 68 -20.115 0.370 -4.462 1.00 1.52 C ATOM 180 CD GLN A 68 -19.795 1.642 -3.696 1.00 2.26 C ATOM 181 OE1 GLN A 68 -19.118 2.582 -4.343 1.00 2.79 O flip ATOM 182 NE2 GLN A 68 -20.180 1.793 -2.537 1.00 3.05 N flip ATOM 0 H GLN A 68 -17.495 1.465 -4.178 1.00 0.33 H new ATOM 0 HA GLN A 68 -18.007 -1.257 -3.993 1.00 0.41 H new ATOM 0 HB2 GLN A 68 -18.783 0.803 -6.084 1.00 0.49 H new ATOM 0 HB3 GLN A 68 -19.414 -0.832 -6.093 1.00 0.49 H new ATOM 0 HG2 GLN A 68 -21.049 0.510 -5.007 1.00 1.52 H new ATOM 0 HG3 GLN A 68 -20.279 -0.440 -3.751 1.00 1.52 H new ATOM 0 HE21 GLN A 68 -20.698 1.048 -2.071 1.00 3.05 H new ATOM 0 HE22 GLN A 68 -19.981 2.663 -2.043 1.00 3.05 H new ATOM 191 N GLU A 69 -15.833 -0.564 -6.249 1.00 0.36 N ATOM 192 CA GLU A 69 -14.849 -1.090 -7.176 1.00 0.40 C ATOM 193 C GLU A 69 -13.759 -1.896 -6.469 1.00 0.33 C ATOM 194 O GLU A 69 -13.416 -3.002 -6.888 1.00 0.39 O ATOM 195 CB GLU A 69 -14.205 0.081 -7.884 1.00 0.45 C ATOM 196 CG GLU A 69 -15.198 0.912 -8.682 1.00 1.10 C ATOM 197 CD GLU A 69 -14.627 2.227 -9.152 1.00 1.52 C ATOM 198 OE1 GLU A 69 -14.572 3.180 -8.346 1.00 2.34 O ATOM 199 OE2 GLU A 69 -14.230 2.313 -10.332 1.00 1.63 O ATOM 0 H GLU A 69 -15.658 0.403 -5.974 1.00 0.36 H new ATOM 0 HA GLU A 69 -15.355 -1.760 -7.872 1.00 0.40 H new ATOM 0 HB2 GLU A 69 -13.715 0.718 -7.148 1.00 0.45 H new ATOM 0 HB3 GLU A 69 -13.428 -0.289 -8.553 1.00 0.45 H new ATOM 0 HG2 GLU A 69 -15.531 0.338 -9.547 1.00 1.10 H new ATOM 0 HG3 GLU A 69 -16.078 1.104 -8.068 1.00 1.10 H new ATOM 206 N SER A 70 -13.213 -1.333 -5.400 1.00 0.27 N ATOM 207 CA SER A 70 -12.007 -1.879 -4.795 1.00 0.22 C ATOM 208 C SER A 70 -12.162 -2.105 -3.297 1.00 0.17 C ATOM 209 O SER A 70 -11.170 -2.233 -2.584 1.00 0.16 O ATOM 210 CB SER A 70 -10.842 -0.925 -5.041 1.00 0.26 C ATOM 211 OG SER A 70 -10.805 -0.504 -6.395 1.00 0.59 O ATOM 0 H SER A 70 -13.584 -0.503 -4.936 1.00 0.27 H new ATOM 0 HA SER A 70 -11.817 -2.848 -5.257 1.00 0.22 H new ATOM 0 HB2 SER A 70 -10.935 -0.056 -4.389 1.00 0.26 H new ATOM 0 HB3 SER A 70 -9.904 -1.417 -4.784 1.00 0.26 H new ATOM 0 HG SER A 70 -10.101 -0.992 -6.870 1.00 0.59 H new ATOM 217 N LYS A 71 -13.396 -2.154 -2.811 1.00 0.19 N ATOM 218 CA LYS A 71 -13.644 -2.395 -1.397 1.00 0.20 C ATOM 219 C LYS A 71 -13.068 -3.739 -0.958 1.00 0.19 C ATOM 220 O LYS A 71 -12.870 -3.979 0.228 1.00 0.22 O ATOM 221 CB LYS A 71 -15.138 -2.345 -1.067 1.00 0.32 C ATOM 222 CG LYS A 71 -15.587 -1.061 -0.382 1.00 0.59 C ATOM 223 CD LYS A 71 -14.974 -0.917 1.003 1.00 0.42 C ATOM 224 CE LYS A 71 -15.633 0.194 1.811 1.00 1.12 C ATOM 225 NZ LYS A 71 -15.679 1.489 1.075 1.00 1.70 N ATOM 0 H LYS A 71 -14.238 -2.030 -3.374 1.00 0.19 H new ATOM 0 HA LYS A 71 -13.143 -1.597 -0.849 1.00 0.20 H new ATOM 0 HB2 LYS A 71 -15.706 -2.469 -1.989 1.00 0.32 H new ATOM 0 HB3 LYS A 71 -15.385 -3.191 -0.425 1.00 0.32 H new ATOM 0 HG2 LYS A 71 -15.306 -0.204 -0.995 1.00 0.59 H new ATOM 0 HG3 LYS A 71 -16.674 -1.053 -0.301 1.00 0.59 H new ATOM 0 HD2 LYS A 71 -15.069 -1.860 1.541 1.00 0.42 H new ATOM 0 HD3 LYS A 71 -13.908 -0.711 0.907 1.00 0.42 H new ATOM 0 HE2 LYS A 71 -16.647 -0.106 2.074 1.00 1.12 H new ATOM 0 HE3 LYS A 71 -15.088 0.331 2.745 1.00 1.12 H new ATOM 0 HZ1 LYS A 71 -15.929 2.254 1.734 1.00 1.70 H new ATOM 0 HZ2 LYS A 71 -14.747 1.683 0.656 1.00 1.70 H new ATOM 0 HZ3 LYS A 71 -16.393 1.435 0.321 1.00 1.70 H new ATOM 239 N ASN A 72 -12.803 -4.608 -1.927 1.00 0.19 N ATOM 240 CA ASN A 72 -12.151 -5.891 -1.675 1.00 0.22 C ATOM 241 C ASN A 72 -10.813 -5.682 -0.972 1.00 0.20 C ATOM 242 O ASN A 72 -10.354 -6.531 -0.209 1.00 0.27 O ATOM 243 CB ASN A 72 -11.917 -6.626 -2.998 1.00 0.26 C ATOM 244 CG ASN A 72 -13.197 -6.886 -3.761 1.00 1.15 C ATOM 245 OD1 ASN A 72 -13.657 -6.033 -4.522 1.00 2.13 O ATOM 246 ND2 ASN A 72 -13.774 -8.063 -3.580 1.00 1.62 N ATOM 0 H ASN A 72 -13.033 -4.445 -2.907 1.00 0.19 H new ATOM 0 HA ASN A 72 -12.801 -6.487 -1.034 1.00 0.22 H new ATOM 0 HB2 ASN A 72 -11.242 -6.038 -3.620 1.00 0.26 H new ATOM 0 HB3 ASN A 72 -11.420 -7.575 -2.798 1.00 0.26 H new ATOM 0 HD21 ASN A 72 -14.633 -8.292 -4.080 1.00 1.62 H new ATOM 0 HD22 ASN A 72 -13.360 -8.741 -2.940 1.00 1.62 H new ATOM 253 N PHE A 73 -10.204 -4.532 -1.228 1.00 0.16 N ATOM 254 CA PHE A 73 -8.903 -4.205 -0.668 1.00 0.14 C ATOM 255 C PHE A 73 -9.014 -3.803 0.801 1.00 0.14 C ATOM 256 O PHE A 73 -8.071 -3.998 1.573 1.00 0.14 O ATOM 257 CB PHE A 73 -8.254 -3.081 -1.485 1.00 0.14 C ATOM 258 CG PHE A 73 -6.942 -2.604 -0.931 1.00 0.13 C ATOM 259 CD1 PHE A 73 -6.895 -1.608 0.032 1.00 0.17 C ATOM 260 CD2 PHE A 73 -5.752 -3.141 -1.390 1.00 0.14 C ATOM 261 CE1 PHE A 73 -5.686 -1.163 0.521 1.00 0.19 C ATOM 262 CE2 PHE A 73 -4.546 -2.700 -0.899 1.00 0.16 C ATOM 263 CZ PHE A 73 -4.530 -1.742 0.126 1.00 0.15 C ATOM 0 H PHE A 73 -10.596 -3.805 -1.826 1.00 0.16 H new ATOM 0 HA PHE A 73 -8.275 -5.094 -0.719 1.00 0.14 H new ATOM 0 HB2 PHE A 73 -8.100 -3.430 -2.506 1.00 0.14 H new ATOM 0 HB3 PHE A 73 -8.943 -2.238 -1.536 1.00 0.14 H new ATOM 0 HD1 PHE A 73 -7.814 -1.177 0.402 1.00 0.17 H new ATOM 0 HD2 PHE A 73 -5.771 -3.915 -2.143 1.00 0.14 H new ATOM 0 HE1 PHE A 73 -5.662 -0.345 1.226 1.00 0.19 H new ATOM 0 HE2 PHE A 73 -3.620 -3.087 -1.298 1.00 0.16 H new ATOM 0 HZ PHE A 73 -3.598 -1.468 0.598 1.00 0.15 H new ATOM 273 N SER A 74 -10.175 -3.279 1.186 1.00 0.16 N ATOM 274 CA SER A 74 -10.362 -2.694 2.512 1.00 0.18 C ATOM 275 C SER A 74 -9.925 -3.648 3.618 1.00 0.18 C ATOM 276 O SER A 74 -9.231 -3.253 4.549 1.00 0.24 O ATOM 277 CB SER A 74 -11.822 -2.287 2.723 1.00 0.23 C ATOM 278 OG SER A 74 -12.683 -3.416 2.738 1.00 0.71 O ATOM 0 H SER A 74 -11.005 -3.247 0.595 1.00 0.16 H new ATOM 0 HA SER A 74 -9.732 -1.806 2.563 1.00 0.18 H new ATOM 0 HB2 SER A 74 -11.917 -1.744 3.663 1.00 0.23 H new ATOM 0 HB3 SER A 74 -12.129 -1.606 1.929 1.00 0.23 H new ATOM 0 HG SER A 74 -12.596 -3.905 1.893 1.00 0.71 H new ATOM 284 N LYS A 75 -10.349 -4.899 3.530 1.00 0.16 N ATOM 285 CA LYS A 75 -9.989 -5.885 4.535 1.00 0.18 C ATOM 286 C LYS A 75 -8.681 -6.590 4.181 1.00 0.15 C ATOM 287 O LYS A 75 -8.032 -7.167 5.052 1.00 0.20 O ATOM 288 CB LYS A 75 -11.113 -6.910 4.709 1.00 0.24 C ATOM 289 CG LYS A 75 -12.473 -6.285 4.993 1.00 0.76 C ATOM 290 CD LYS A 75 -12.458 -5.456 6.268 1.00 0.90 C ATOM 291 CE LYS A 75 -13.825 -4.867 6.576 1.00 1.87 C ATOM 292 NZ LYS A 75 -14.850 -5.921 6.790 1.00 2.17 N ATOM 0 H LYS A 75 -10.939 -5.254 2.777 1.00 0.16 H new ATOM 0 HA LYS A 75 -9.843 -5.358 5.478 1.00 0.18 H new ATOM 0 HB2 LYS A 75 -11.183 -7.516 3.806 1.00 0.24 H new ATOM 0 HB3 LYS A 75 -10.855 -7.584 5.526 1.00 0.24 H new ATOM 0 HG2 LYS A 75 -12.766 -5.655 4.153 1.00 0.76 H new ATOM 0 HG3 LYS A 75 -13.223 -7.071 5.079 1.00 0.76 H new ATOM 0 HD2 LYS A 75 -12.134 -6.078 7.102 1.00 0.90 H new ATOM 0 HD3 LYS A 75 -11.730 -4.651 6.169 1.00 0.90 H new ATOM 0 HE2 LYS A 75 -13.758 -4.241 7.466 1.00 1.87 H new ATOM 0 HE3 LYS A 75 -14.135 -4.221 5.754 1.00 1.87 H new ATOM 0 HZ1 LYS A 75 -15.702 -5.497 7.209 1.00 2.17 H new ATOM 0 HZ2 LYS A 75 -15.093 -6.359 5.879 1.00 2.17 H new ATOM 0 HZ3 LYS A 75 -14.473 -6.646 7.433 1.00 2.17 H new ATOM 306 N MET A 76 -8.291 -6.533 2.907 1.00 0.13 N ATOM 307 CA MET A 76 -7.057 -7.173 2.451 1.00 0.15 C ATOM 308 C MET A 76 -5.874 -6.545 3.147 1.00 0.16 C ATOM 309 O MET A 76 -5.030 -7.231 3.719 1.00 0.20 O ATOM 310 CB MET A 76 -6.873 -7.009 0.942 1.00 0.17 C ATOM 311 CG MET A 76 -5.723 -7.836 0.373 1.00 0.23 C ATOM 312 SD MET A 76 -5.802 -9.575 0.853 1.00 0.51 S ATOM 313 CE MET A 76 -7.374 -10.062 0.144 1.00 1.35 C ATOM 0 H MET A 76 -8.811 -6.051 2.174 1.00 0.13 H new ATOM 0 HA MET A 76 -7.124 -8.235 2.688 1.00 0.15 H new ATOM 0 HB2 MET A 76 -7.797 -7.293 0.439 1.00 0.17 H new ATOM 0 HB3 MET A 76 -6.698 -5.957 0.718 1.00 0.17 H new ATOM 0 HG2 MET A 76 -5.734 -7.764 -0.715 1.00 0.23 H new ATOM 0 HG3 MET A 76 -4.777 -7.414 0.711 1.00 0.23 H new ATOM 0 HE1 MET A 76 -7.479 -11.145 0.202 1.00 1.35 H new ATOM 0 HE2 MET A 76 -8.185 -9.588 0.697 1.00 1.35 H new ATOM 0 HE3 MET A 76 -7.415 -9.749 -0.899 1.00 1.35 H new ATOM 323 N ALA A 77 -5.843 -5.224 3.101 1.00 0.15 N ATOM 324 CA ALA A 77 -4.763 -4.464 3.697 1.00 0.19 C ATOM 325 C ALA A 77 -4.698 -4.694 5.202 1.00 0.26 C ATOM 326 O ALA A 77 -3.628 -4.646 5.806 1.00 0.47 O ATOM 327 CB ALA A 77 -4.928 -2.983 3.392 1.00 0.17 C ATOM 0 H ALA A 77 -6.560 -4.654 2.653 1.00 0.15 H new ATOM 0 HA ALA A 77 -3.825 -4.809 3.262 1.00 0.19 H new ATOM 0 HB1 ALA A 77 -4.109 -2.425 3.846 1.00 0.17 H new ATOM 0 HB2 ALA A 77 -4.917 -2.830 2.313 1.00 0.17 H new ATOM 0 HB3 ALA A 77 -5.876 -2.631 3.798 1.00 0.17 H new ATOM 333 N LYS A 78 -5.853 -4.969 5.796 1.00 0.17 N ATOM 334 CA LYS A 78 -5.952 -5.150 7.231 1.00 0.21 C ATOM 335 C LYS A 78 -5.645 -6.583 7.622 1.00 0.19 C ATOM 336 O LYS A 78 -5.526 -6.906 8.805 1.00 0.33 O ATOM 337 CB LYS A 78 -7.347 -4.804 7.691 1.00 0.32 C ATOM 338 CG LYS A 78 -7.838 -3.495 7.127 1.00 0.54 C ATOM 339 CD LYS A 78 -8.558 -2.668 8.159 1.00 0.46 C ATOM 340 CE LYS A 78 -9.681 -1.873 7.519 1.00 0.58 C ATOM 341 NZ LYS A 78 -10.811 -2.739 7.103 1.00 1.30 N ATOM 0 H LYS A 78 -6.737 -5.071 5.298 1.00 0.17 H new ATOM 0 HA LYS A 78 -5.224 -4.492 7.707 1.00 0.21 H new ATOM 0 HB2 LYS A 78 -8.030 -5.601 7.397 1.00 0.32 H new ATOM 0 HB3 LYS A 78 -7.364 -4.755 8.780 1.00 0.32 H new ATOM 0 HG2 LYS A 78 -6.992 -2.930 6.736 1.00 0.54 H new ATOM 0 HG3 LYS A 78 -8.507 -3.690 6.289 1.00 0.54 H new ATOM 0 HD2 LYS A 78 -8.962 -3.317 8.936 1.00 0.46 H new ATOM 0 HD3 LYS A 78 -7.856 -1.990 8.644 1.00 0.46 H new ATOM 0 HE2 LYS A 78 -10.040 -1.122 8.223 1.00 0.58 H new ATOM 0 HE3 LYS A 78 -9.297 -1.338 6.651 1.00 0.58 H new ATOM 0 HZ1 LYS A 78 -11.694 -2.191 7.123 1.00 1.30 H new ATOM 0 HZ2 LYS A 78 -10.643 -3.089 6.138 1.00 1.30 H new ATOM 0 HZ3 LYS A 78 -10.889 -3.545 7.755 1.00 1.30 H new ATOM 355 N SER A 79 -5.531 -7.443 6.626 1.00 0.13 N ATOM 356 CA SER A 79 -5.341 -8.854 6.876 1.00 0.14 C ATOM 357 C SER A 79 -3.910 -9.095 7.342 1.00 0.15 C ATOM 358 O SER A 79 -3.026 -8.293 7.046 1.00 0.17 O ATOM 359 CB SER A 79 -5.657 -9.669 5.621 1.00 0.21 C ATOM 360 OG SER A 79 -5.788 -11.047 5.923 1.00 0.30 O ATOM 0 H SER A 79 -5.567 -7.186 5.639 1.00 0.13 H new ATOM 0 HA SER A 79 -6.026 -9.179 7.660 1.00 0.14 H new ATOM 0 HB2 SER A 79 -6.580 -9.304 5.170 1.00 0.21 H new ATOM 0 HB3 SER A 79 -4.865 -9.529 4.885 1.00 0.21 H new ATOM 0 HG SER A 79 -5.992 -11.544 5.103 1.00 0.30 H new ATOM 366 N GLN A 80 -3.688 -10.189 8.062 1.00 0.26 N ATOM 367 CA GLN A 80 -2.391 -10.459 8.684 1.00 0.33 C ATOM 368 C GLN A 80 -1.248 -10.419 7.673 1.00 0.27 C ATOM 369 O GLN A 80 -0.160 -9.924 7.975 1.00 0.32 O ATOM 370 CB GLN A 80 -2.420 -11.815 9.389 1.00 0.45 C ATOM 371 CG GLN A 80 -3.392 -11.868 10.554 1.00 1.51 C ATOM 372 CD GLN A 80 -3.480 -13.245 11.175 1.00 1.98 C ATOM 373 OE1 GLN A 80 -3.309 -14.258 10.497 1.00 2.65 O ATOM 374 NE2 GLN A 80 -3.745 -13.294 12.470 1.00 2.42 N ATOM 0 H GLN A 80 -4.391 -10.908 8.232 1.00 0.26 H new ATOM 0 HA GLN A 80 -2.209 -9.670 9.414 1.00 0.33 H new ATOM 0 HB2 GLN A 80 -2.688 -12.586 8.667 1.00 0.45 H new ATOM 0 HB3 GLN A 80 -1.419 -12.050 9.750 1.00 0.45 H new ATOM 0 HG2 GLN A 80 -3.083 -11.150 11.313 1.00 1.51 H new ATOM 0 HG3 GLN A 80 -4.381 -11.564 10.212 1.00 1.51 H new ATOM 0 HE21 GLN A 80 -3.880 -12.431 12.996 1.00 2.42 H new ATOM 0 HE22 GLN A 80 -3.814 -14.195 12.943 1.00 2.42 H new ATOM 383 N SER A 81 -1.504 -10.918 6.471 1.00 0.24 N ATOM 384 CA SER A 81 -0.501 -10.938 5.418 1.00 0.22 C ATOM 385 C SER A 81 -0.085 -9.523 5.017 1.00 0.16 C ATOM 386 O SER A 81 1.105 -9.211 4.936 1.00 0.18 O ATOM 387 CB SER A 81 -1.033 -11.703 4.204 1.00 0.27 C ATOM 388 OG SER A 81 -2.360 -11.301 3.887 1.00 0.99 O ATOM 0 H SER A 81 -2.404 -11.316 6.201 1.00 0.24 H new ATOM 0 HA SER A 81 0.384 -11.446 5.801 1.00 0.22 H new ATOM 0 HB2 SER A 81 -0.382 -11.529 3.347 1.00 0.27 H new ATOM 0 HB3 SER A 81 -1.013 -12.774 4.407 1.00 0.27 H new ATOM 0 HG SER A 81 -2.676 -11.803 3.107 1.00 0.99 H new ATOM 394 N PHE A 82 -1.065 -8.659 4.788 1.00 0.12 N ATOM 395 CA PHE A 82 -0.780 -7.314 4.323 1.00 0.11 C ATOM 396 C PHE A 82 -0.479 -6.373 5.481 1.00 0.12 C ATOM 397 O PHE A 82 0.070 -5.303 5.283 1.00 0.14 O ATOM 398 CB PHE A 82 -1.900 -6.739 3.467 1.00 0.12 C ATOM 399 CG PHE A 82 -1.359 -5.916 2.338 1.00 0.11 C ATOM 400 CD1 PHE A 82 -0.551 -6.480 1.369 1.00 0.09 C ATOM 401 CD2 PHE A 82 -1.685 -4.574 2.235 1.00 0.14 C ATOM 402 CE1 PHE A 82 -0.074 -5.725 0.321 1.00 0.10 C ATOM 403 CE2 PHE A 82 -1.218 -3.811 1.186 1.00 0.13 C ATOM 404 CZ PHE A 82 -0.310 -4.397 0.266 1.00 0.09 C ATOM 0 H PHE A 82 -2.056 -8.866 4.916 1.00 0.12 H new ATOM 0 HA PHE A 82 0.108 -7.398 3.696 1.00 0.11 H new ATOM 0 HB2 PHE A 82 -2.508 -7.551 3.068 1.00 0.12 H new ATOM 0 HB3 PHE A 82 -2.554 -6.125 4.086 1.00 0.12 H new ATOM 0 HD1 PHE A 82 -0.290 -7.526 1.435 1.00 0.09 H new ATOM 0 HD2 PHE A 82 -2.313 -4.119 2.986 1.00 0.14 H new ATOM 0 HE1 PHE A 82 0.495 -6.200 -0.465 1.00 0.10 H new ATOM 0 HE2 PHE A 82 -1.537 -2.786 1.067 1.00 0.13 H new ATOM 0 HZ PHE A 82 0.188 -3.786 -0.472 1.00 0.09 H new ATOM 414 N SER A 83 -0.880 -6.725 6.676 1.00 0.13 N ATOM 415 CA SER A 83 -0.528 -5.909 7.823 1.00 0.17 C ATOM 416 C SER A 83 0.986 -5.748 7.919 1.00 0.21 C ATOM 417 O SER A 83 1.499 -4.634 7.935 1.00 0.40 O ATOM 418 CB SER A 83 -1.078 -6.523 9.107 1.00 0.21 C ATOM 419 OG SER A 83 -2.495 -6.563 9.086 1.00 1.17 O ATOM 0 H SER A 83 -1.439 -7.552 6.884 1.00 0.13 H new ATOM 0 HA SER A 83 -0.975 -4.923 7.692 1.00 0.17 H new ATOM 0 HB2 SER A 83 -0.684 -7.532 9.229 1.00 0.21 H new ATOM 0 HB3 SER A 83 -0.740 -5.943 9.965 1.00 0.21 H new ATOM 0 HG SER A 83 -2.796 -7.115 8.334 1.00 1.17 H new ATOM 425 N THR A 84 1.703 -6.859 7.904 1.00 0.17 N ATOM 426 CA THR A 84 3.120 -6.835 8.205 1.00 0.22 C ATOM 427 C THR A 84 4.001 -6.768 6.943 1.00 0.16 C ATOM 428 O THR A 84 5.182 -6.439 7.038 1.00 0.21 O ATOM 429 CB THR A 84 3.508 -8.065 9.065 1.00 0.36 C ATOM 430 OG1 THR A 84 4.605 -7.741 9.924 1.00 0.80 O ATOM 431 CG2 THR A 84 3.882 -9.261 8.199 1.00 0.64 C ATOM 0 H THR A 84 1.328 -7.783 7.688 1.00 0.17 H new ATOM 0 HA THR A 84 3.306 -5.921 8.768 1.00 0.22 H new ATOM 0 HB THR A 84 2.637 -8.333 9.663 1.00 0.36 H new ATOM 0 HG1 THR A 84 5.206 -8.512 9.992 1.00 0.80 H new ATOM 0 HG21 THR A 84 4.148 -10.104 8.837 1.00 0.64 H new ATOM 0 HG22 THR A 84 3.034 -9.535 7.571 1.00 0.64 H new ATOM 0 HG23 THR A 84 4.732 -9.002 7.568 1.00 0.64 H new ATOM 439 N ARG A 85 3.416 -7.030 5.763 1.00 0.15 N ATOM 440 CA ARG A 85 4.209 -7.253 4.541 1.00 0.16 C ATOM 441 C ARG A 85 5.250 -6.147 4.287 1.00 0.15 C ATOM 442 O ARG A 85 6.434 -6.434 4.144 1.00 0.15 O ATOM 443 CB ARG A 85 3.304 -7.478 3.304 1.00 0.19 C ATOM 444 CG ARG A 85 2.851 -6.219 2.579 1.00 0.17 C ATOM 445 CD ARG A 85 2.022 -5.363 3.472 1.00 0.14 C ATOM 446 NE ARG A 85 1.788 -4.021 2.947 1.00 0.14 N ATOM 447 CZ ARG A 85 1.725 -2.927 3.711 1.00 0.14 C ATOM 448 NH1 ARG A 85 1.821 -3.030 5.036 1.00 0.14 N ATOM 449 NH2 ARG A 85 1.551 -1.736 3.149 1.00 0.19 N ATOM 0 H ARG A 85 2.407 -7.092 5.628 1.00 0.15 H new ATOM 0 HA ARG A 85 4.774 -8.170 4.711 1.00 0.16 H new ATOM 0 HB2 ARG A 85 3.839 -8.110 2.596 1.00 0.19 H new ATOM 0 HB3 ARG A 85 2.420 -8.031 3.620 1.00 0.19 H new ATOM 0 HG2 ARG A 85 3.721 -5.659 2.236 1.00 0.17 H new ATOM 0 HG3 ARG A 85 2.277 -6.491 1.693 1.00 0.17 H new ATOM 0 HD2 ARG A 85 1.062 -5.851 3.639 1.00 0.14 H new ATOM 0 HD3 ARG A 85 2.512 -5.284 4.442 1.00 0.14 H new ATOM 0 HE ARG A 85 1.666 -3.913 1.940 1.00 0.14 H new ATOM 0 HH11 ARG A 85 1.943 -3.946 5.469 1.00 0.14 H new ATOM 0 HH12 ARG A 85 1.773 -2.193 5.617 1.00 0.14 H new ATOM 0 HH21 ARG A 85 1.466 -1.658 2.136 1.00 0.19 H new ATOM 0 HH22 ARG A 85 1.503 -0.900 3.731 1.00 0.19 H new ATOM 463 N ILE A 86 4.825 -4.888 4.244 1.00 0.13 N ATOM 464 CA ILE A 86 5.743 -3.802 3.956 1.00 0.13 C ATOM 465 C ILE A 86 6.320 -3.237 5.245 1.00 0.14 C ATOM 466 O ILE A 86 7.438 -2.733 5.269 1.00 0.16 O ATOM 467 CB ILE A 86 5.082 -2.658 3.151 1.00 0.10 C ATOM 468 CG1 ILE A 86 4.484 -3.186 1.859 1.00 0.14 C ATOM 469 CG2 ILE A 86 6.087 -1.573 2.837 1.00 0.13 C ATOM 470 CD1 ILE A 86 5.365 -4.193 1.176 1.00 0.21 C ATOM 0 H ILE A 86 3.859 -4.601 4.404 1.00 0.13 H new ATOM 0 HA ILE A 86 6.538 -4.225 3.342 1.00 0.13 H new ATOM 0 HB ILE A 86 4.286 -2.237 3.765 1.00 0.10 H new ATOM 0 HG12 ILE A 86 3.517 -3.642 2.072 1.00 0.14 H new ATOM 0 HG13 ILE A 86 4.301 -2.352 1.182 1.00 0.14 H new ATOM 0 HG21 ILE A 86 5.600 -0.779 2.271 1.00 0.13 H new ATOM 0 HG22 ILE A 86 6.484 -1.165 3.766 1.00 0.13 H new ATOM 0 HG23 ILE A 86 6.902 -1.992 2.247 1.00 0.13 H new ATOM 0 HD11 ILE A 86 4.885 -4.534 0.259 1.00 0.21 H new ATOM 0 HD12 ILE A 86 6.323 -3.733 0.935 1.00 0.21 H new ATOM 0 HD13 ILE A 86 5.527 -5.043 1.838 1.00 0.21 H new ATOM 482 N GLU A 87 5.531 -3.319 6.314 1.00 0.16 N ATOM 483 CA GLU A 87 5.924 -2.796 7.615 1.00 0.20 C ATOM 484 C GLU A 87 7.215 -3.440 8.120 1.00 0.22 C ATOM 485 O GLU A 87 7.941 -2.848 8.914 1.00 0.28 O ATOM 486 CB GLU A 87 4.793 -2.999 8.622 1.00 0.27 C ATOM 487 CG GLU A 87 3.497 -2.330 8.196 1.00 0.40 C ATOM 488 CD GLU A 87 2.530 -2.099 9.331 1.00 0.44 C ATOM 489 OE1 GLU A 87 2.583 -2.841 10.333 1.00 0.56 O ATOM 490 OE2 GLU A 87 1.700 -1.169 9.214 1.00 0.89 O ATOM 0 H GLU A 87 4.606 -3.748 6.301 1.00 0.16 H new ATOM 0 HA GLU A 87 6.117 -1.729 7.503 1.00 0.20 H new ATOM 0 HB2 GLU A 87 4.619 -4.067 8.755 1.00 0.27 H new ATOM 0 HB3 GLU A 87 5.100 -2.603 9.590 1.00 0.27 H new ATOM 0 HG2 GLU A 87 3.729 -1.373 7.728 1.00 0.40 H new ATOM 0 HG3 GLU A 87 3.013 -2.946 7.438 1.00 0.40 H new ATOM 497 N GLU A 88 7.499 -4.652 7.657 1.00 0.25 N ATOM 498 CA GLU A 88 8.743 -5.325 8.008 1.00 0.30 C ATOM 499 C GLU A 88 9.853 -4.939 7.037 1.00 0.32 C ATOM 500 O GLU A 88 11.039 -5.070 7.340 1.00 0.37 O ATOM 501 CB GLU A 88 8.552 -6.843 8.018 1.00 0.42 C ATOM 502 CG GLU A 88 7.604 -7.323 9.103 1.00 0.52 C ATOM 503 CD GLU A 88 7.561 -8.835 9.233 1.00 1.09 C ATOM 504 OE1 GLU A 88 8.328 -9.515 8.517 1.00 1.64 O ATOM 505 OE2 GLU A 88 6.762 -9.356 10.037 1.00 1.54 O ATOM 0 H GLU A 88 6.887 -5.187 7.040 1.00 0.25 H new ATOM 0 HA GLU A 88 9.031 -5.006 9.010 1.00 0.30 H new ATOM 0 HB2 GLU A 88 8.172 -7.161 7.047 1.00 0.42 H new ATOM 0 HB3 GLU A 88 9.521 -7.323 8.154 1.00 0.42 H new ATOM 0 HG2 GLU A 88 7.906 -6.891 10.057 1.00 0.52 H new ATOM 0 HG3 GLU A 88 6.601 -6.954 8.889 1.00 0.52 H new ATOM 512 N LEU A 89 9.458 -4.443 5.876 1.00 0.34 N ATOM 513 CA LEU A 89 10.404 -4.080 4.836 1.00 0.35 C ATOM 514 C LEU A 89 10.853 -2.631 4.973 1.00 0.34 C ATOM 515 O LEU A 89 11.893 -2.246 4.443 1.00 0.38 O ATOM 516 CB LEU A 89 9.797 -4.300 3.459 1.00 0.33 C ATOM 517 CG LEU A 89 10.599 -5.211 2.536 1.00 0.32 C ATOM 518 CD1 LEU A 89 12.080 -4.879 2.578 1.00 0.32 C ATOM 519 CD2 LEU A 89 10.372 -6.662 2.896 1.00 0.37 C ATOM 0 H LEU A 89 8.481 -4.282 5.630 1.00 0.34 H new ATOM 0 HA LEU A 89 11.277 -4.723 4.951 1.00 0.35 H new ATOM 0 HB2 LEU A 89 8.799 -4.721 3.582 1.00 0.33 H new ATOM 0 HB3 LEU A 89 9.677 -3.332 2.973 1.00 0.33 H new ATOM 0 HG LEU A 89 10.249 -5.043 1.517 1.00 0.32 H new ATOM 0 HD11 LEU A 89 12.622 -5.547 1.909 1.00 0.32 H new ATOM 0 HD12 LEU A 89 12.231 -3.847 2.261 1.00 0.32 H new ATOM 0 HD13 LEU A 89 12.452 -5.004 3.595 1.00 0.32 H new ATOM 0 HD21 LEU A 89 10.952 -7.298 2.227 1.00 0.37 H new ATOM 0 HD22 LEU A 89 10.687 -6.835 3.925 1.00 0.37 H new ATOM 0 HD23 LEU A 89 9.313 -6.900 2.796 1.00 0.37 H new ATOM 531 N GLY A 90 10.066 -1.827 5.667 1.00 0.31 N ATOM 532 CA GLY A 90 10.447 -0.449 5.886 1.00 0.31 C ATOM 533 C GLY A 90 9.287 0.512 5.722 1.00 0.26 C ATOM 534 O GLY A 90 9.285 1.601 6.296 1.00 0.29 O ATOM 0 H GLY A 90 9.175 -2.101 6.081 1.00 0.31 H new ATOM 0 HA2 GLY A 90 10.860 -0.346 6.889 1.00 0.31 H new ATOM 0 HA3 GLY A 90 11.238 -0.180 5.186 1.00 0.31 H new ATOM 538 N GLY A 91 8.297 0.113 4.937 1.00 0.22 N ATOM 539 CA GLY A 91 7.130 0.950 4.737 1.00 0.18 C ATOM 540 C GLY A 91 6.013 0.576 5.696 1.00 0.14 C ATOM 541 O GLY A 91 6.292 0.036 6.767 1.00 0.16 O ATOM 0 H GLY A 91 8.280 -0.775 4.435 1.00 0.22 H new ATOM 0 HA2 GLY A 91 7.401 1.996 4.881 1.00 0.18 H new ATOM 0 HA3 GLY A 91 6.779 0.850 3.710 1.00 0.18 H new ATOM 545 N SER A 92 4.748 0.820 5.310 1.00 0.12 N ATOM 546 CA SER A 92 3.614 0.455 6.151 1.00 0.12 C ATOM 547 C SER A 92 2.279 0.864 5.534 1.00 0.11 C ATOM 548 O SER A 92 2.224 1.364 4.409 1.00 0.12 O ATOM 549 CB SER A 92 3.757 1.066 7.546 1.00 0.16 C ATOM 550 OG SER A 92 3.963 2.467 7.477 1.00 0.21 O ATOM 0 H SER A 92 4.495 1.265 4.428 1.00 0.12 H new ATOM 0 HA SER A 92 3.618 -0.632 6.233 1.00 0.12 H new ATOM 0 HB2 SER A 92 2.861 0.857 8.130 1.00 0.16 H new ATOM 0 HB3 SER A 92 4.593 0.599 8.066 1.00 0.16 H new ATOM 0 HG SER A 92 4.049 2.830 8.383 1.00 0.21 H new ATOM 556 N ILE A 93 1.206 0.586 6.264 1.00 0.14 N ATOM 557 CA ILE A 93 -0.145 0.941 5.845 1.00 0.13 C ATOM 558 C ILE A 93 -0.593 2.234 6.522 1.00 0.14 C ATOM 559 O ILE A 93 -0.242 2.490 7.673 1.00 0.25 O ATOM 560 CB ILE A 93 -1.152 -0.172 6.220 1.00 0.18 C ATOM 561 CG1 ILE A 93 -0.889 -1.454 5.444 1.00 0.18 C ATOM 562 CG2 ILE A 93 -2.572 0.283 5.962 1.00 0.22 C ATOM 563 CD1 ILE A 93 -1.142 -2.696 6.259 1.00 0.24 C ATOM 0 H ILE A 93 1.248 0.108 7.164 1.00 0.14 H new ATOM 0 HA ILE A 93 -0.125 1.070 4.763 1.00 0.13 H new ATOM 0 HB ILE A 93 -1.020 -0.376 7.283 1.00 0.18 H new ATOM 0 HG12 ILE A 93 -1.523 -1.472 4.557 1.00 0.18 H new ATOM 0 HG13 ILE A 93 0.144 -1.457 5.097 1.00 0.18 H new ATOM 0 HG21 ILE A 93 -3.264 -0.514 6.232 1.00 0.22 H new ATOM 0 HG22 ILE A 93 -2.785 1.168 6.562 1.00 0.22 H new ATOM 0 HG23 ILE A 93 -2.691 0.524 4.906 1.00 0.22 H new ATOM 0 HD11 ILE A 93 -0.937 -3.578 5.652 1.00 0.24 H new ATOM 0 HD12 ILE A 93 -0.490 -2.697 7.132 1.00 0.24 H new ATOM 0 HD13 ILE A 93 -2.182 -2.713 6.583 1.00 0.24 H new ATOM 575 N SER A 94 -1.343 3.047 5.800 1.00 0.09 N ATOM 576 CA SER A 94 -1.996 4.202 6.379 1.00 0.12 C ATOM 577 C SER A 94 -3.450 4.232 5.947 1.00 0.14 C ATOM 578 O SER A 94 -3.749 4.439 4.778 1.00 0.19 O ATOM 579 CB SER A 94 -1.305 5.487 5.933 1.00 0.15 C ATOM 580 OG SER A 94 0.104 5.382 6.070 1.00 0.17 O ATOM 0 H SER A 94 -1.515 2.925 4.802 1.00 0.09 H new ATOM 0 HA SER A 94 -1.936 4.131 7.465 1.00 0.12 H new ATOM 0 HB2 SER A 94 -1.558 5.698 4.894 1.00 0.15 H new ATOM 0 HB3 SER A 94 -1.670 6.325 6.527 1.00 0.15 H new ATOM 0 HG SER A 94 0.535 5.656 5.234 1.00 0.17 H new ATOM 586 N PHE A 95 -4.354 4.011 6.879 1.00 0.15 N ATOM 587 CA PHE A 95 -5.765 4.017 6.549 1.00 0.16 C ATOM 588 C PHE A 95 -6.378 5.374 6.794 1.00 0.18 C ATOM 589 O PHE A 95 -6.457 5.851 7.925 1.00 0.26 O ATOM 590 CB PHE A 95 -6.534 2.959 7.331 1.00 0.18 C ATOM 591 CG PHE A 95 -6.748 1.692 6.566 1.00 0.26 C ATOM 592 CD1 PHE A 95 -5.743 0.743 6.486 1.00 0.39 C ATOM 593 CD2 PHE A 95 -7.946 1.453 5.928 1.00 0.39 C ATOM 594 CE1 PHE A 95 -5.933 -0.428 5.781 1.00 0.50 C ATOM 595 CE2 PHE A 95 -8.144 0.282 5.218 1.00 0.50 C ATOM 596 CZ PHE A 95 -7.156 -0.658 5.148 1.00 0.52 C ATOM 0 H PHE A 95 -4.142 3.827 7.860 1.00 0.15 H new ATOM 0 HA PHE A 95 -5.839 3.781 5.487 1.00 0.16 H new ATOM 0 HB2 PHE A 95 -5.993 2.733 8.250 1.00 0.18 H new ATOM 0 HB3 PHE A 95 -7.502 3.366 7.623 1.00 0.18 H new ATOM 0 HD1 PHE A 95 -4.800 0.921 6.981 1.00 0.39 H new ATOM 0 HD2 PHE A 95 -8.737 2.186 5.983 1.00 0.39 H new ATOM 0 HE1 PHE A 95 -5.142 -1.161 5.719 1.00 0.50 H new ATOM 0 HE2 PHE A 95 -9.085 0.111 4.716 1.00 0.50 H new ATOM 0 HZ PHE A 95 -7.320 -1.577 4.605 1.00 0.52 H new ATOM 606 N LEU A 96 -6.806 5.987 5.714 1.00 0.16 N ATOM 607 CA LEU A 96 -7.523 7.238 5.767 1.00 0.18 C ATOM 608 C LEU A 96 -8.996 6.925 5.534 1.00 0.21 C ATOM 609 O LEU A 96 -9.582 7.298 4.512 1.00 0.23 O ATOM 610 CB LEU A 96 -6.996 8.229 4.708 1.00 0.20 C ATOM 611 CG LEU A 96 -5.466 8.430 4.649 1.00 0.21 C ATOM 612 CD1 LEU A 96 -4.872 8.632 6.032 1.00 0.70 C ATOM 613 CD2 LEU A 96 -4.791 7.264 3.954 1.00 0.79 C ATOM 0 H LEU A 96 -6.665 5.629 4.769 1.00 0.16 H new ATOM 0 HA LEU A 96 -7.381 7.714 6.737 1.00 0.18 H new ATOM 0 HB2 LEU A 96 -7.333 7.891 3.728 1.00 0.20 H new ATOM 0 HB3 LEU A 96 -7.460 9.199 4.888 1.00 0.20 H new ATOM 0 HG LEU A 96 -5.284 9.335 4.070 1.00 0.21 H new ATOM 0 HD11 LEU A 96 -3.794 8.770 5.948 1.00 0.70 H new ATOM 0 HD12 LEU A 96 -5.316 9.514 6.493 1.00 0.70 H new ATOM 0 HD13 LEU A 96 -5.079 7.757 6.648 1.00 0.70 H new ATOM 0 HD21 LEU A 96 -3.714 7.431 3.926 1.00 0.79 H new ATOM 0 HD22 LEU A 96 -5.002 6.344 4.499 1.00 0.79 H new ATOM 0 HD23 LEU A 96 -5.171 7.178 2.936 1.00 0.79 H new ATOM 625 N THR A 97 -9.570 6.201 6.491 1.00 0.24 N ATOM 626 CA THR A 97 -10.906 5.624 6.363 1.00 0.29 C ATOM 627 C THR A 97 -11.982 6.667 6.091 1.00 0.34 C ATOM 628 O THR A 97 -13.044 6.339 5.560 1.00 0.41 O ATOM 629 CB THR A 97 -11.271 4.832 7.628 1.00 0.33 C ATOM 630 OG1 THR A 97 -10.868 5.564 8.796 1.00 0.36 O ATOM 631 CG2 THR A 97 -10.603 3.465 7.622 1.00 0.35 C ATOM 0 H THR A 97 -9.119 5.997 7.383 1.00 0.24 H new ATOM 0 HA THR A 97 -10.871 4.959 5.500 1.00 0.29 H new ATOM 0 HB THR A 97 -12.351 4.689 7.644 1.00 0.33 H new ATOM 0 HG1 THR A 97 -11.105 5.055 9.599 1.00 0.36 H new ATOM 0 HG21 THR A 97 -10.876 2.923 8.527 1.00 0.35 H new ATOM 0 HG22 THR A 97 -10.933 2.903 6.749 1.00 0.35 H new ATOM 0 HG23 THR A 97 -9.521 3.589 7.586 1.00 0.35 H new ATOM 639 N GLU A 98 -11.692 7.916 6.438 1.00 0.34 N ATOM 640 CA GLU A 98 -12.615 9.024 6.209 1.00 0.42 C ATOM 641 C GLU A 98 -13.118 9.052 4.768 1.00 0.38 C ATOM 642 O GLU A 98 -14.293 9.313 4.517 1.00 0.39 O ATOM 643 CB GLU A 98 -11.936 10.352 6.546 1.00 0.52 C ATOM 644 CG GLU A 98 -10.531 10.495 5.981 1.00 0.85 C ATOM 645 CD GLU A 98 -9.889 11.810 6.368 1.00 1.14 C ATOM 646 OE1 GLU A 98 -10.282 12.855 5.807 1.00 1.39 O ATOM 647 OE2 GLU A 98 -8.976 11.802 7.222 1.00 1.45 O ATOM 0 H GLU A 98 -10.816 8.189 6.883 1.00 0.34 H new ATOM 0 HA GLU A 98 -13.475 8.877 6.862 1.00 0.42 H new ATOM 0 HB2 GLU A 98 -12.552 11.168 6.169 1.00 0.52 H new ATOM 0 HB3 GLU A 98 -11.892 10.460 7.630 1.00 0.52 H new ATOM 0 HG2 GLU A 98 -9.912 9.672 6.338 1.00 0.85 H new ATOM 0 HG3 GLU A 98 -10.569 10.417 4.894 1.00 0.85 H new ATOM 654 N THR A 99 -12.238 8.757 3.829 1.00 0.37 N ATOM 655 CA THR A 99 -12.583 8.810 2.425 1.00 0.37 C ATOM 656 C THR A 99 -12.448 7.420 1.789 1.00 0.34 C ATOM 657 O THR A 99 -12.770 7.215 0.621 1.00 0.55 O ATOM 658 CB THR A 99 -11.685 9.852 1.724 1.00 0.44 C ATOM 659 OG1 THR A 99 -11.869 11.125 2.355 1.00 0.50 O ATOM 660 CG2 THR A 99 -11.988 9.978 0.238 1.00 0.49 C ATOM 0 H THR A 99 -11.275 8.477 4.017 1.00 0.37 H new ATOM 0 HA THR A 99 -13.623 9.116 2.308 1.00 0.37 H new ATOM 0 HB THR A 99 -10.652 9.515 1.817 1.00 0.44 H new ATOM 0 HG1 THR A 99 -11.301 11.792 1.917 1.00 0.50 H new ATOM 0 HG21 THR A 99 -11.328 10.724 -0.206 1.00 0.49 H new ATOM 0 HG22 THR A 99 -11.828 9.016 -0.249 1.00 0.49 H new ATOM 0 HG23 THR A 99 -13.025 10.285 0.103 1.00 0.49 H new ATOM 668 N GLY A 100 -12.021 6.455 2.592 1.00 0.19 N ATOM 669 CA GLY A 100 -11.816 5.110 2.088 1.00 0.18 C ATOM 670 C GLY A 100 -10.528 5.000 1.312 1.00 0.16 C ATOM 671 O GLY A 100 -10.479 4.357 0.268 1.00 0.21 O ATOM 0 H GLY A 100 -11.813 6.578 3.583 1.00 0.19 H new ATOM 0 HA2 GLY A 100 -11.801 4.407 2.921 1.00 0.18 H new ATOM 0 HA3 GLY A 100 -12.652 4.829 1.448 1.00 0.18 H new ATOM 675 N VAL A 101 -9.502 5.680 1.796 1.00 0.13 N ATOM 676 CA VAL A 101 -8.200 5.643 1.164 1.00 0.14 C ATOM 677 C VAL A 101 -7.199 4.908 2.042 1.00 0.12 C ATOM 678 O VAL A 101 -7.105 5.173 3.236 1.00 0.23 O ATOM 679 CB VAL A 101 -7.669 7.064 0.892 1.00 0.16 C ATOM 680 CG1 VAL A 101 -6.404 7.011 0.056 1.00 0.21 C ATOM 681 CG2 VAL A 101 -8.726 7.924 0.219 1.00 0.23 C ATOM 0 H VAL A 101 -9.550 6.266 2.629 1.00 0.13 H new ATOM 0 HA VAL A 101 -8.317 5.117 0.216 1.00 0.14 H new ATOM 0 HB VAL A 101 -7.427 7.523 1.851 1.00 0.16 H new ATOM 0 HG11 VAL A 101 -6.045 8.024 -0.125 1.00 0.21 H new ATOM 0 HG12 VAL A 101 -5.640 6.445 0.588 1.00 0.21 H new ATOM 0 HG13 VAL A 101 -6.617 6.526 -0.897 1.00 0.21 H new ATOM 0 HG21 VAL A 101 -8.324 8.921 0.039 1.00 0.23 H new ATOM 0 HG22 VAL A 101 -9.013 7.472 -0.730 1.00 0.23 H new ATOM 0 HG23 VAL A 101 -9.601 7.997 0.865 1.00 0.23 H new ATOM 691 N THR A 102 -6.467 3.987 1.455 1.00 0.10 N ATOM 692 CA THR A 102 -5.388 3.317 2.147 1.00 0.09 C ATOM 693 C THR A 102 -4.045 3.681 1.516 1.00 0.09 C ATOM 694 O THR A 102 -3.732 3.246 0.415 1.00 0.10 O ATOM 695 CB THR A 102 -5.565 1.790 2.117 1.00 0.10 C ATOM 696 OG1 THR A 102 -6.828 1.441 2.689 1.00 0.11 O ATOM 697 CG2 THR A 102 -4.455 1.113 2.903 1.00 0.12 C ATOM 0 H THR A 102 -6.601 3.683 0.491 1.00 0.10 H new ATOM 0 HA THR A 102 -5.408 3.649 3.185 1.00 0.09 H new ATOM 0 HB THR A 102 -5.523 1.454 1.081 1.00 0.10 H new ATOM 0 HG1 THR A 102 -6.685 0.898 3.492 1.00 0.11 H new ATOM 0 HG21 THR A 102 -4.594 0.032 2.872 1.00 0.12 H new ATOM 0 HG22 THR A 102 -3.491 1.367 2.463 1.00 0.12 H new ATOM 0 HG23 THR A 102 -4.483 1.453 3.938 1.00 0.12 H new ATOM 705 N MET A 103 -3.257 4.491 2.201 1.00 0.10 N ATOM 706 CA MET A 103 -1.938 4.857 1.693 1.00 0.10 C ATOM 707 C MET A 103 -0.907 3.805 2.078 1.00 0.10 C ATOM 708 O MET A 103 -0.656 3.577 3.257 1.00 0.13 O ATOM 709 CB MET A 103 -1.488 6.227 2.200 1.00 0.12 C ATOM 710 CG MET A 103 -1.824 7.379 1.264 1.00 0.20 C ATOM 711 SD MET A 103 -3.586 7.639 1.082 1.00 1.26 S ATOM 712 CE MET A 103 -3.632 9.318 0.462 1.00 1.19 C ATOM 0 H MET A 103 -3.500 4.906 3.101 1.00 0.10 H new ATOM 0 HA MET A 103 -2.017 4.910 0.607 1.00 0.10 H new ATOM 0 HB2 MET A 103 -1.951 6.414 3.169 1.00 0.12 H new ATOM 0 HB3 MET A 103 -0.410 6.207 2.361 1.00 0.12 H new ATOM 0 HG2 MET A 103 -1.364 8.293 1.641 1.00 0.20 H new ATOM 0 HG3 MET A 103 -1.388 7.183 0.284 1.00 0.20 H new ATOM 0 HE1 MET A 103 -4.610 9.754 0.664 1.00 1.19 H new ATOM 0 HE2 MET A 103 -2.862 9.910 0.957 1.00 1.19 H new ATOM 0 HE3 MET A 103 -3.452 9.314 -0.613 1.00 1.19 H new ATOM 722 N ILE A 104 -0.329 3.140 1.092 1.00 0.08 N ATOM 723 CA ILE A 104 0.746 2.199 1.360 1.00 0.08 C ATOM 724 C ILE A 104 2.084 2.826 1.070 1.00 0.08 C ATOM 725 O ILE A 104 2.380 3.197 -0.060 1.00 0.12 O ATOM 726 CB ILE A 104 0.632 0.878 0.562 1.00 0.08 C ATOM 727 CG1 ILE A 104 -0.439 -0.013 1.176 1.00 0.10 C ATOM 728 CG2 ILE A 104 1.972 0.140 0.521 1.00 0.10 C ATOM 729 CD1 ILE A 104 -1.839 0.347 0.758 1.00 0.10 C ATOM 0 H ILE A 104 -0.582 3.232 0.108 1.00 0.08 H new ATOM 0 HA ILE A 104 0.657 1.950 2.417 1.00 0.08 H new ATOM 0 HB ILE A 104 0.350 1.123 -0.462 1.00 0.08 H new ATOM 0 HG12 ILE A 104 -0.241 -1.048 0.898 1.00 0.10 H new ATOM 0 HG13 ILE A 104 -0.368 0.044 2.262 1.00 0.10 H new ATOM 0 HG21 ILE A 104 1.861 -0.784 -0.046 1.00 0.10 H new ATOM 0 HG22 ILE A 104 2.721 0.772 0.043 1.00 0.10 H new ATOM 0 HG23 ILE A 104 2.290 -0.094 1.537 1.00 0.10 H new ATOM 0 HD11 ILE A 104 -2.547 -0.331 1.235 1.00 0.10 H new ATOM 0 HD12 ILE A 104 -2.057 1.371 1.061 1.00 0.10 H new ATOM 0 HD13 ILE A 104 -1.929 0.262 -0.325 1.00 0.10 H new ATOM 741 N GLU A 105 2.881 2.949 2.098 1.00 0.09 N ATOM 742 CA GLU A 105 4.234 3.402 1.935 1.00 0.10 C ATOM 743 C GLU A 105 5.161 2.193 1.809 1.00 0.10 C ATOM 744 O GLU A 105 5.127 1.299 2.648 1.00 0.13 O ATOM 745 CB GLU A 105 4.634 4.267 3.122 1.00 0.13 C ATOM 746 CG GLU A 105 4.743 5.741 2.779 1.00 0.19 C ATOM 747 CD GLU A 105 4.730 6.642 3.994 1.00 0.35 C ATOM 748 OE1 GLU A 105 3.704 6.664 4.708 1.00 0.48 O ATOM 749 OE2 GLU A 105 5.734 7.337 4.237 1.00 0.45 O ATOM 0 H GLU A 105 2.614 2.741 3.060 1.00 0.09 H new ATOM 0 HA GLU A 105 4.315 4.003 1.029 1.00 0.10 H new ATOM 0 HB2 GLU A 105 3.902 4.139 3.919 1.00 0.13 H new ATOM 0 HB3 GLU A 105 5.591 3.919 3.510 1.00 0.13 H new ATOM 0 HG2 GLU A 105 5.664 5.910 2.220 1.00 0.19 H new ATOM 0 HG3 GLU A 105 3.917 6.016 2.123 1.00 0.19 H new ATOM 756 N LEU A 106 5.943 2.151 0.744 1.00 0.12 N ATOM 757 CA LEU A 106 6.901 1.077 0.506 1.00 0.12 C ATOM 758 C LEU A 106 8.161 1.637 -0.129 1.00 0.16 C ATOM 759 O LEU A 106 8.107 2.294 -1.160 1.00 0.19 O ATOM 760 CB LEU A 106 6.284 0.000 -0.395 1.00 0.12 C ATOM 761 CG LEU A 106 7.240 -1.112 -0.866 1.00 0.14 C ATOM 762 CD1 LEU A 106 6.460 -2.354 -1.213 1.00 0.17 C ATOM 763 CD2 LEU A 106 8.042 -0.690 -2.087 1.00 0.16 C ATOM 0 H LEU A 106 5.934 2.863 0.014 1.00 0.12 H new ATOM 0 HA LEU A 106 7.161 0.620 1.461 1.00 0.12 H new ATOM 0 HB2 LEU A 106 5.455 -0.463 0.140 1.00 0.12 H new ATOM 0 HB3 LEU A 106 5.863 0.487 -1.275 1.00 0.12 H new ATOM 0 HG LEU A 106 7.929 -1.310 -0.045 1.00 0.14 H new ATOM 0 HD11 LEU A 106 7.146 -3.134 -1.545 1.00 0.17 H new ATOM 0 HD12 LEU A 106 5.916 -2.699 -0.334 1.00 0.17 H new ATOM 0 HD13 LEU A 106 5.753 -2.129 -2.012 1.00 0.17 H new ATOM 0 HD21 LEU A 106 8.704 -1.503 -2.386 1.00 0.16 H new ATOM 0 HD22 LEU A 106 7.362 -0.455 -2.906 1.00 0.16 H new ATOM 0 HD23 LEU A 106 8.636 0.191 -1.845 1.00 0.16 H new ATOM 775 N PRO A 107 9.315 1.383 0.476 1.00 0.17 N ATOM 776 CA PRO A 107 10.587 1.869 -0.032 1.00 0.21 C ATOM 777 C PRO A 107 11.066 1.062 -1.221 1.00 0.25 C ATOM 778 O PRO A 107 10.876 -0.144 -1.282 1.00 0.20 O ATOM 779 CB PRO A 107 11.527 1.672 1.144 1.00 0.23 C ATOM 780 CG PRO A 107 10.970 0.496 1.860 1.00 0.21 C ATOM 781 CD PRO A 107 9.480 0.571 1.689 1.00 0.17 C ATOM 0 HA PRO A 107 10.525 2.899 -0.382 1.00 0.21 H new ATOM 0 HB2 PRO A 107 12.549 1.489 0.811 1.00 0.23 H new ATOM 0 HB3 PRO A 107 11.554 2.553 1.785 1.00 0.23 H new ATOM 0 HG2 PRO A 107 11.363 -0.433 1.448 1.00 0.21 H new ATOM 0 HG3 PRO A 107 11.243 0.517 2.915 1.00 0.21 H new ATOM 0 HD2 PRO A 107 9.039 -0.419 1.572 1.00 0.17 H new ATOM 0 HD3 PRO A 107 9.000 1.034 2.551 1.00 0.17 H new ATOM 789 N LYS A 108 11.716 1.721 -2.154 1.00 0.40 N ATOM 790 CA LYS A 108 12.268 1.039 -3.315 1.00 0.47 C ATOM 791 C LYS A 108 13.537 0.296 -2.928 1.00 0.50 C ATOM 792 O LYS A 108 14.259 -0.229 -3.775 1.00 0.59 O ATOM 793 CB LYS A 108 12.517 2.050 -4.423 1.00 0.62 C ATOM 794 CG LYS A 108 11.232 2.719 -4.860 1.00 0.69 C ATOM 795 CD LYS A 108 11.465 4.146 -5.302 1.00 0.99 C ATOM 796 CE LYS A 108 10.149 4.868 -5.503 1.00 0.68 C ATOM 797 NZ LYS A 108 10.328 6.158 -6.216 1.00 1.10 N ATOM 0 H LYS A 108 11.878 2.728 -2.136 1.00 0.40 H new ATOM 0 HA LYS A 108 11.558 0.300 -3.686 1.00 0.47 H new ATOM 0 HB2 LYS A 108 13.222 2.805 -4.076 1.00 0.62 H new ATOM 0 HB3 LYS A 108 12.977 1.551 -5.276 1.00 0.62 H new ATOM 0 HG2 LYS A 108 10.787 2.153 -5.678 1.00 0.69 H new ATOM 0 HG3 LYS A 108 10.517 2.705 -4.037 1.00 0.69 H new ATOM 0 HD2 LYS A 108 12.062 4.670 -4.556 1.00 0.99 H new ATOM 0 HD3 LYS A 108 12.036 4.155 -6.231 1.00 0.99 H new ATOM 0 HE2 LYS A 108 9.469 4.232 -6.069 1.00 0.68 H new ATOM 0 HE3 LYS A 108 9.683 5.050 -4.534 1.00 0.68 H new ATOM 0 HZ1 LYS A 108 9.418 6.660 -6.259 1.00 1.10 H new ATOM 0 HZ2 LYS A 108 11.022 6.742 -5.708 1.00 1.10 H new ATOM 0 HZ3 LYS A 108 10.669 5.977 -7.182 1.00 1.10 H new ATOM 811 N THR A 109 13.805 0.286 -1.631 1.00 0.47 N ATOM 812 CA THR A 109 14.882 -0.505 -1.072 1.00 0.53 C ATOM 813 C THR A 109 14.410 -1.928 -0.763 1.00 0.46 C ATOM 814 O THR A 109 15.230 -2.817 -0.521 1.00 0.53 O ATOM 815 CB THR A 109 15.441 0.145 0.205 1.00 0.62 C ATOM 816 OG1 THR A 109 14.383 0.365 1.147 1.00 0.61 O ATOM 817 CG2 THR A 109 16.114 1.469 -0.117 1.00 0.72 C ATOM 0 H THR A 109 13.282 0.825 -0.941 1.00 0.47 H new ATOM 0 HA THR A 109 15.676 -0.550 -1.817 1.00 0.53 H new ATOM 0 HB THR A 109 16.180 -0.530 0.637 1.00 0.62 H new ATOM 0 HG1 THR A 109 14.744 0.797 1.949 1.00 0.61 H new ATOM 0 HG21 THR A 109 16.502 1.912 0.800 1.00 0.72 H new ATOM 0 HG22 THR A 109 16.935 1.300 -0.814 1.00 0.72 H new ATOM 0 HG23 THR A 109 15.388 2.146 -0.568 1.00 0.72 H new ATOM 825 N VAL A 110 13.086 -2.144 -0.761 1.00 0.34 N ATOM 826 CA VAL A 110 12.536 -3.492 -0.608 1.00 0.28 C ATOM 827 C VAL A 110 12.975 -4.366 -1.777 1.00 0.25 C ATOM 828 O VAL A 110 13.416 -3.857 -2.810 1.00 0.28 O ATOM 829 CB VAL A 110 10.989 -3.528 -0.543 1.00 0.21 C ATOM 830 CG1 VAL A 110 10.437 -2.493 0.417 1.00 0.21 C ATOM 831 CG2 VAL A 110 10.383 -3.361 -1.916 1.00 0.17 C ATOM 0 H VAL A 110 12.386 -1.409 -0.863 1.00 0.34 H new ATOM 0 HA VAL A 110 12.920 -3.863 0.342 1.00 0.28 H new ATOM 0 HB VAL A 110 10.709 -4.510 -0.161 1.00 0.21 H new ATOM 0 HG11 VAL A 110 9.349 -2.554 0.431 1.00 0.21 H new ATOM 0 HG12 VAL A 110 10.824 -2.682 1.418 1.00 0.21 H new ATOM 0 HG13 VAL A 110 10.741 -1.498 0.093 1.00 0.21 H new ATOM 0 HG21 VAL A 110 9.296 -3.390 -1.840 1.00 0.17 H new ATOM 0 HG22 VAL A 110 10.692 -2.404 -2.336 1.00 0.17 H new ATOM 0 HG23 VAL A 110 10.723 -4.168 -2.565 1.00 0.17 H new ATOM 841 N SER A 111 12.884 -5.672 -1.611 1.00 0.24 N ATOM 842 CA SER A 111 13.128 -6.575 -2.721 1.00 0.22 C ATOM 843 C SER A 111 12.081 -6.316 -3.803 1.00 0.17 C ATOM 844 O SER A 111 10.951 -5.955 -3.487 1.00 0.18 O ATOM 845 CB SER A 111 13.048 -8.021 -2.237 1.00 0.27 C ATOM 846 OG SER A 111 13.868 -8.221 -1.097 1.00 0.96 O ATOM 0 H SER A 111 12.646 -6.128 -0.730 1.00 0.24 H new ATOM 0 HA SER A 111 14.123 -6.404 -3.131 1.00 0.22 H new ATOM 0 HB2 SER A 111 12.015 -8.271 -1.995 1.00 0.27 H new ATOM 0 HB3 SER A 111 13.360 -8.694 -3.036 1.00 0.27 H new ATOM 0 HG SER A 111 13.799 -9.154 -0.804 1.00 0.96 H new ATOM 852 N GLU A 112 12.445 -6.486 -5.070 1.00 0.21 N ATOM 853 CA GLU A 112 11.509 -6.241 -6.166 1.00 0.26 C ATOM 854 C GLU A 112 10.255 -7.090 -5.987 1.00 0.24 C ATOM 855 O GLU A 112 9.164 -6.694 -6.386 1.00 0.28 O ATOM 856 CB GLU A 112 12.163 -6.538 -7.514 1.00 0.35 C ATOM 857 CG GLU A 112 11.276 -6.219 -8.705 1.00 0.46 C ATOM 858 CD GLU A 112 11.959 -6.502 -10.021 1.00 0.63 C ATOM 859 OE1 GLU A 112 12.707 -5.633 -10.509 1.00 1.03 O ATOM 860 OE2 GLU A 112 11.740 -7.596 -10.580 1.00 0.80 O ATOM 0 H GLU A 112 13.373 -6.790 -5.364 1.00 0.21 H new ATOM 0 HA GLU A 112 11.227 -5.188 -6.148 1.00 0.26 H new ATOM 0 HB2 GLU A 112 13.086 -5.963 -7.595 1.00 0.35 H new ATOM 0 HB3 GLU A 112 12.439 -7.592 -7.550 1.00 0.35 H new ATOM 0 HG2 GLU A 112 10.360 -6.806 -8.640 1.00 0.46 H new ATOM 0 HG3 GLU A 112 10.985 -5.169 -8.668 1.00 0.46 H new ATOM 867 N HIS A 113 10.425 -8.253 -5.374 1.00 0.23 N ATOM 868 CA HIS A 113 9.303 -9.101 -4.987 1.00 0.27 C ATOM 869 C HIS A 113 8.330 -8.321 -4.117 1.00 0.25 C ATOM 870 O HIS A 113 7.138 -8.263 -4.391 1.00 0.41 O ATOM 871 CB HIS A 113 9.811 -10.316 -4.211 1.00 0.32 C ATOM 872 CG HIS A 113 10.437 -11.374 -5.065 1.00 0.40 C ATOM 873 ND1 HIS A 113 10.695 -12.650 -4.614 1.00 0.71 N ATOM 874 CD2 HIS A 113 10.857 -11.340 -6.348 1.00 0.46 C ATOM 875 CE1 HIS A 113 11.247 -13.353 -5.585 1.00 0.73 C ATOM 876 NE2 HIS A 113 11.357 -12.582 -6.652 1.00 0.55 N ATOM 0 H HIS A 113 11.339 -8.635 -5.131 1.00 0.23 H new ATOM 0 HA HIS A 113 8.791 -9.433 -5.890 1.00 0.27 H new ATOM 0 HB2 HIS A 113 10.541 -9.982 -3.473 1.00 0.32 H new ATOM 0 HB3 HIS A 113 8.979 -10.755 -3.661 1.00 0.32 H new ATOM 0 HD2 HIS A 113 10.808 -10.491 -7.013 1.00 0.46 H new ATOM 0 HE1 HIS A 113 11.557 -14.385 -5.518 1.00 0.73 H new ATOM 0 HE2 HIS A 113 11.748 -12.862 -7.551 1.00 0.55 H new ATOM 885 N ASP A 114 8.861 -7.700 -3.084 1.00 0.23 N ATOM 886 CA ASP A 114 8.052 -6.951 -2.137 1.00 0.26 C ATOM 887 C ASP A 114 7.529 -5.675 -2.765 1.00 0.25 C ATOM 888 O ASP A 114 6.424 -5.238 -2.474 1.00 0.33 O ATOM 889 CB ASP A 114 8.872 -6.633 -0.882 1.00 0.31 C ATOM 890 CG ASP A 114 9.312 -7.887 -0.158 1.00 1.20 C ATOM 891 OD1 ASP A 114 8.521 -8.434 0.636 1.00 1.13 O ATOM 892 OD2 ASP A 114 10.452 -8.339 -0.396 1.00 2.05 O ATOM 0 H ASP A 114 9.859 -7.698 -2.875 1.00 0.23 H new ATOM 0 HA ASP A 114 7.196 -7.564 -1.854 1.00 0.26 H new ATOM 0 HB2 ASP A 114 9.749 -6.049 -1.161 1.00 0.31 H new ATOM 0 HB3 ASP A 114 8.278 -6.015 -0.208 1.00 0.31 H new ATOM 897 N MET A 115 8.316 -5.085 -3.643 1.00 0.23 N ATOM 898 CA MET A 115 7.914 -3.851 -4.291 1.00 0.23 C ATOM 899 C MET A 115 6.826 -4.106 -5.319 1.00 0.24 C ATOM 900 O MET A 115 5.765 -3.504 -5.269 1.00 0.47 O ATOM 901 CB MET A 115 9.110 -3.175 -4.952 1.00 0.20 C ATOM 902 CG MET A 115 8.770 -1.861 -5.637 1.00 0.22 C ATOM 903 SD MET A 115 10.217 -1.062 -6.359 1.00 0.22 S ATOM 904 CE MET A 115 10.819 -2.348 -7.454 1.00 1.62 C ATOM 0 H MET A 115 9.232 -5.437 -3.923 1.00 0.23 H new ATOM 0 HA MET A 115 7.515 -3.187 -3.524 1.00 0.23 H new ATOM 0 HB2 MET A 115 9.876 -2.993 -4.198 1.00 0.20 H new ATOM 0 HB3 MET A 115 9.541 -3.856 -5.686 1.00 0.20 H new ATOM 0 HG2 MET A 115 8.032 -2.043 -6.418 1.00 0.22 H new ATOM 0 HG3 MET A 115 8.310 -1.187 -4.914 1.00 0.22 H new ATOM 0 HE1 MET A 115 11.333 -1.894 -8.301 1.00 1.62 H new ATOM 0 HE2 MET A 115 11.512 -2.992 -6.912 1.00 1.62 H new ATOM 0 HE3 MET A 115 9.979 -2.941 -7.815 1.00 1.62 H new ATOM 914 N ASP A 116 7.084 -5.002 -6.247 1.00 0.15 N ATOM 915 CA ASP A 116 6.126 -5.266 -7.311 1.00 0.18 C ATOM 916 C ASP A 116 4.964 -6.097 -6.801 1.00 0.19 C ATOM 917 O ASP A 116 3.820 -5.660 -6.828 1.00 0.24 O ATOM 918 CB ASP A 116 6.792 -5.984 -8.482 1.00 0.23 C ATOM 919 CG ASP A 116 5.846 -6.176 -9.654 1.00 0.42 C ATOM 920 OD1 ASP A 116 5.502 -5.174 -10.320 1.00 0.61 O ATOM 921 OD2 ASP A 116 5.450 -7.326 -9.924 1.00 0.64 O ATOM 0 H ASP A 116 7.938 -5.557 -6.291 1.00 0.15 H new ATOM 0 HA ASP A 116 5.748 -4.303 -7.656 1.00 0.18 H new ATOM 0 HB2 ASP A 116 7.661 -5.412 -8.809 1.00 0.23 H new ATOM 0 HB3 ASP A 116 7.157 -6.956 -8.149 1.00 0.23 H new ATOM 926 N GLN A 117 5.277 -7.277 -6.296 1.00 0.17 N ATOM 927 CA GLN A 117 4.259 -8.267 -5.954 1.00 0.18 C ATOM 928 C GLN A 117 3.401 -7.850 -4.755 1.00 0.15 C ATOM 929 O GLN A 117 2.240 -8.246 -4.664 1.00 0.17 O ATOM 930 CB GLN A 117 4.908 -9.624 -5.690 1.00 0.23 C ATOM 931 CG GLN A 117 5.745 -10.125 -6.855 1.00 0.96 C ATOM 932 CD GLN A 117 6.349 -11.488 -6.601 1.00 1.67 C ATOM 933 OE1 GLN A 117 7.445 -11.602 -6.057 1.00 2.42 O ATOM 934 NE2 GLN A 117 5.642 -12.532 -6.995 1.00 2.30 N ATOM 0 H GLN A 117 6.234 -7.579 -6.111 1.00 0.17 H new ATOM 0 HA GLN A 117 3.591 -8.340 -6.812 1.00 0.18 H new ATOM 0 HB2 GLN A 117 5.538 -9.552 -4.803 1.00 0.23 H new ATOM 0 HB3 GLN A 117 4.130 -10.355 -5.470 1.00 0.23 H new ATOM 0 HG2 GLN A 117 5.124 -10.169 -7.750 1.00 0.96 H new ATOM 0 HG3 GLN A 117 6.544 -9.411 -7.056 1.00 0.96 H new ATOM 0 HE21 GLN A 117 4.736 -12.395 -7.443 1.00 2.30 H new ATOM 0 HE22 GLN A 117 6.002 -13.475 -6.851 1.00 2.30 H new ATOM 943 N LEU A 118 3.945 -7.059 -3.832 1.00 0.14 N ATOM 944 CA LEU A 118 3.149 -6.620 -2.685 1.00 0.13 C ATOM 945 C LEU A 118 2.310 -5.394 -3.021 1.00 0.12 C ATOM 946 O LEU A 118 1.176 -5.278 -2.568 1.00 0.13 O ATOM 947 CB LEU A 118 4.001 -6.366 -1.446 1.00 0.12 C ATOM 948 CG LEU A 118 4.444 -7.635 -0.702 1.00 0.15 C ATOM 949 CD1 LEU A 118 5.396 -7.289 0.429 1.00 0.18 C ATOM 950 CD2 LEU A 118 3.237 -8.378 -0.148 1.00 0.16 C ATOM 0 H LEU A 118 4.906 -6.716 -3.851 1.00 0.14 H new ATOM 0 HA LEU A 118 2.473 -7.442 -2.450 1.00 0.13 H new ATOM 0 HB2 LEU A 118 4.888 -5.805 -1.740 1.00 0.12 H new ATOM 0 HB3 LEU A 118 3.439 -5.735 -0.758 1.00 0.12 H new ATOM 0 HG LEU A 118 4.961 -8.279 -1.413 1.00 0.15 H new ATOM 0 HD11 LEU A 118 5.698 -8.202 0.943 1.00 0.18 H new ATOM 0 HD12 LEU A 118 6.278 -6.793 0.023 1.00 0.18 H new ATOM 0 HD13 LEU A 118 4.897 -6.624 1.134 1.00 0.18 H new ATOM 0 HD21 LEU A 118 3.570 -9.274 0.376 1.00 0.16 H new ATOM 0 HD22 LEU A 118 2.699 -7.732 0.545 1.00 0.16 H new ATOM 0 HD23 LEU A 118 2.576 -8.661 -0.968 1.00 0.16 H new ATOM 962 N LEU A 119 2.844 -4.488 -3.827 1.00 0.13 N ATOM 963 CA LEU A 119 2.036 -3.367 -4.319 1.00 0.13 C ATOM 964 C LEU A 119 1.056 -3.872 -5.367 1.00 0.13 C ATOM 965 O LEU A 119 0.098 -3.197 -5.737 1.00 0.14 O ATOM 966 CB LEU A 119 2.913 -2.260 -4.903 1.00 0.14 C ATOM 967 CG LEU A 119 4.018 -1.747 -3.971 1.00 0.11 C ATOM 968 CD1 LEU A 119 4.726 -0.545 -4.578 1.00 0.12 C ATOM 969 CD2 LEU A 119 3.463 -1.423 -2.590 1.00 0.17 C ATOM 0 H LEU A 119 3.811 -4.499 -4.152 1.00 0.13 H new ATOM 0 HA LEU A 119 1.487 -2.942 -3.479 1.00 0.13 H new ATOM 0 HB2 LEU A 119 3.374 -2.628 -5.820 1.00 0.14 H new ATOM 0 HB3 LEU A 119 2.275 -1.421 -5.182 1.00 0.14 H new ATOM 0 HG LEU A 119 4.754 -2.542 -3.852 1.00 0.11 H new ATOM 0 HD11 LEU A 119 5.505 -0.200 -3.898 1.00 0.12 H new ATOM 0 HD12 LEU A 119 5.175 -0.829 -5.530 1.00 0.12 H new ATOM 0 HD13 LEU A 119 4.006 0.257 -4.742 1.00 0.12 H new ATOM 0 HD21 LEU A 119 4.268 -1.062 -1.950 1.00 0.17 H new ATOM 0 HD22 LEU A 119 2.696 -0.654 -2.678 1.00 0.17 H new ATOM 0 HD23 LEU A 119 3.028 -2.322 -2.153 1.00 0.17 H new ATOM 981 N HIS A 120 1.312 -5.077 -5.837 1.00 0.13 N ATOM 982 CA HIS A 120 0.418 -5.756 -6.751 1.00 0.13 C ATOM 983 C HIS A 120 -0.614 -6.538 -5.956 1.00 0.13 C ATOM 984 O HIS A 120 -1.694 -6.829 -6.455 1.00 0.14 O ATOM 985 CB HIS A 120 1.222 -6.705 -7.624 1.00 0.14 C ATOM 986 CG HIS A 120 0.501 -7.261 -8.821 1.00 0.21 C ATOM 987 ND1 HIS A 120 0.868 -6.971 -10.116 1.00 0.30 N ATOM 988 CD2 HIS A 120 -0.541 -8.124 -8.919 1.00 0.25 C ATOM 989 CE1 HIS A 120 0.086 -7.625 -10.954 1.00 0.37 C ATOM 990 NE2 HIS A 120 -0.777 -8.335 -10.254 1.00 0.34 N ATOM 0 H HIS A 120 2.146 -5.612 -5.595 1.00 0.13 H new ATOM 0 HA HIS A 120 -0.090 -5.027 -7.382 1.00 0.13 H new ATOM 0 HB2 HIS A 120 2.114 -6.183 -7.971 1.00 0.14 H new ATOM 0 HB3 HIS A 120 1.560 -7.538 -7.007 1.00 0.14 H new ATOM 0 HD2 HIS A 120 -1.085 -8.564 -8.097 1.00 0.25 H new ATOM 0 HE1 HIS A 120 0.143 -7.585 -12.032 1.00 0.37 H new ATOM 0 HE2 HIS A 120 -1.500 -8.941 -10.641 1.00 0.34 H new ATOM 999 N ASP A 121 -0.271 -6.874 -4.716 1.00 0.12 N ATOM 1000 CA ASP A 121 -1.217 -7.529 -3.815 1.00 0.12 C ATOM 1001 C ASP A 121 -2.343 -6.557 -3.562 1.00 0.11 C ATOM 1002 O ASP A 121 -3.495 -6.929 -3.341 1.00 0.13 O ATOM 1003 CB ASP A 121 -0.553 -7.904 -2.489 1.00 0.14 C ATOM 1004 CG ASP A 121 -1.265 -9.040 -1.787 1.00 0.23 C ATOM 1005 OD1 ASP A 121 -0.927 -10.212 -2.067 1.00 0.42 O ATOM 1006 OD2 ASP A 121 -2.158 -8.777 -0.957 1.00 0.42 O ATOM 0 H ASP A 121 0.650 -6.705 -4.312 1.00 0.12 H new ATOM 0 HA ASP A 121 -1.581 -8.450 -4.270 1.00 0.12 H new ATOM 0 HB2 ASP A 121 0.484 -8.187 -2.672 1.00 0.14 H new ATOM 0 HB3 ASP A 121 -0.535 -7.032 -1.836 1.00 0.14 H new ATOM 1011 N ILE A 122 -1.968 -5.292 -3.626 1.00 0.10 N ATOM 1012 CA ILE A 122 -2.900 -4.196 -3.601 1.00 0.10 C ATOM 1013 C ILE A 122 -3.914 -4.352 -4.730 1.00 0.10 C ATOM 1014 O ILE A 122 -5.122 -4.398 -4.500 1.00 0.11 O ATOM 1015 CB ILE A 122 -2.141 -2.860 -3.747 1.00 0.10 C ATOM 1016 CG1 ILE A 122 -1.099 -2.755 -2.632 1.00 0.10 C ATOM 1017 CG2 ILE A 122 -3.104 -1.687 -3.725 1.00 0.11 C ATOM 1018 CD1 ILE A 122 -0.345 -1.446 -2.597 1.00 0.10 C ATOM 0 H ILE A 122 -0.993 -5.001 -3.698 1.00 0.10 H new ATOM 0 HA ILE A 122 -3.431 -4.198 -2.649 1.00 0.10 H new ATOM 0 HB ILE A 122 -1.630 -2.832 -4.709 1.00 0.10 H new ATOM 0 HG12 ILE A 122 -1.597 -2.898 -1.673 1.00 0.10 H new ATOM 0 HG13 ILE A 122 -0.383 -3.569 -2.744 1.00 0.10 H new ATOM 0 HG21 ILE A 122 -2.546 -0.756 -3.829 1.00 0.11 H new ATOM 0 HG22 ILE A 122 -3.811 -1.781 -4.550 1.00 0.11 H new ATOM 0 HG23 ILE A 122 -3.648 -1.680 -2.780 1.00 0.11 H new ATOM 0 HD11 ILE A 122 0.372 -1.461 -1.776 1.00 0.10 H new ATOM 0 HD12 ILE A 122 0.185 -1.306 -3.539 1.00 0.10 H new ATOM 0 HD13 ILE A 122 -1.047 -0.625 -2.451 1.00 0.10 H new ATOM 1030 N LEU A 123 -3.402 -4.482 -5.945 1.00 0.11 N ATOM 1031 CA LEU A 123 -4.237 -4.658 -7.127 1.00 0.12 C ATOM 1032 C LEU A 123 -4.943 -6.012 -7.115 1.00 0.13 C ATOM 1033 O LEU A 123 -6.018 -6.169 -7.693 1.00 0.14 O ATOM 1034 CB LEU A 123 -3.395 -4.527 -8.398 1.00 0.14 C ATOM 1035 CG LEU A 123 -3.200 -3.103 -8.923 1.00 0.15 C ATOM 1036 CD1 LEU A 123 -2.486 -2.235 -7.899 1.00 0.16 C ATOM 1037 CD2 LEU A 123 -2.424 -3.129 -10.227 1.00 0.20 C ATOM 0 H LEU A 123 -2.401 -4.469 -6.140 1.00 0.11 H new ATOM 0 HA LEU A 123 -4.996 -3.876 -7.113 1.00 0.12 H new ATOM 0 HB2 LEU A 123 -2.414 -4.962 -8.208 1.00 0.14 H new ATOM 0 HB3 LEU A 123 -3.861 -5.123 -9.183 1.00 0.14 H new ATOM 0 HG LEU A 123 -4.183 -2.669 -9.104 1.00 0.15 H new ATOM 0 HD11 LEU A 123 -2.361 -1.229 -8.299 1.00 0.16 H new ATOM 0 HD12 LEU A 123 -3.077 -2.191 -6.984 1.00 0.16 H new ATOM 0 HD13 LEU A 123 -1.508 -2.662 -7.679 1.00 0.16 H new ATOM 0 HD21 LEU A 123 -2.291 -2.110 -10.592 1.00 0.20 H new ATOM 0 HD22 LEU A 123 -1.448 -3.585 -10.061 1.00 0.20 H new ATOM 0 HD23 LEU A 123 -2.975 -3.710 -10.967 1.00 0.20 H new ATOM 1049 N ALA A 124 -4.332 -6.981 -6.449 1.00 0.14 N ATOM 1050 CA ALA A 124 -4.919 -8.306 -6.290 1.00 0.16 C ATOM 1051 C ALA A 124 -6.192 -8.222 -5.467 1.00 0.17 C ATOM 1052 O ALA A 124 -7.028 -9.127 -5.485 1.00 0.23 O ATOM 1053 CB ALA A 124 -3.929 -9.247 -5.622 1.00 0.17 C ATOM 0 H ALA A 124 -3.420 -6.873 -6.005 1.00 0.14 H new ATOM 0 HA ALA A 124 -5.163 -8.697 -7.278 1.00 0.16 H new ATOM 0 HB1 ALA A 124 -4.382 -10.232 -5.510 1.00 0.17 H new ATOM 0 HB2 ALA A 124 -3.032 -9.327 -6.236 1.00 0.17 H new ATOM 0 HB3 ALA A 124 -3.662 -8.857 -4.640 1.00 0.17 H new ATOM 1059 N ALA A 125 -6.320 -7.121 -4.748 1.00 0.13 N ATOM 1060 CA ALA A 125 -7.483 -6.855 -3.937 1.00 0.14 C ATOM 1061 C ALA A 125 -8.385 -5.858 -4.644 1.00 0.14 C ATOM 1062 O ALA A 125 -9.389 -5.404 -4.101 1.00 0.20 O ATOM 1063 CB ALA A 125 -7.046 -6.328 -2.585 1.00 0.15 C ATOM 0 H ALA A 125 -5.614 -6.386 -4.714 1.00 0.13 H new ATOM 0 HA ALA A 125 -8.046 -7.776 -3.785 1.00 0.14 H new ATOM 0 HB1 ALA A 125 -7.924 -6.127 -1.972 1.00 0.15 H new ATOM 0 HB2 ALA A 125 -6.420 -7.071 -2.090 1.00 0.15 H new ATOM 0 HB3 ALA A 125 -6.479 -5.407 -2.720 1.00 0.15 H new ATOM 1069 N GLY A 126 -8.004 -5.520 -5.866 1.00 0.13 N ATOM 1070 CA GLY A 126 -8.747 -4.554 -6.638 1.00 0.16 C ATOM 1071 C GLY A 126 -8.293 -3.147 -6.339 1.00 0.15 C ATOM 1072 O GLY A 126 -8.796 -2.183 -6.916 1.00 0.21 O ATOM 0 H GLY A 126 -7.185 -5.903 -6.338 1.00 0.13 H new ATOM 0 HA2 GLY A 126 -8.622 -4.761 -7.701 1.00 0.16 H new ATOM 0 HA3 GLY A 126 -9.810 -4.650 -6.418 1.00 0.16 H new ATOM 1076 N GLY A 127 -7.322 -3.047 -5.446 1.00 0.15 N ATOM 1077 CA GLY A 127 -6.845 -1.773 -4.975 1.00 0.16 C ATOM 1078 C GLY A 127 -6.166 -0.959 -6.055 1.00 0.19 C ATOM 1079 O GLY A 127 -5.677 -1.502 -7.047 1.00 0.35 O ATOM 0 H GLY A 127 -6.848 -3.850 -5.033 1.00 0.15 H new ATOM 0 HA2 GLY A 127 -7.683 -1.204 -4.572 1.00 0.16 H new ATOM 0 HA3 GLY A 127 -6.145 -1.934 -4.155 1.00 0.16 H new ATOM 1083 N VAL A 128 -6.143 0.343 -5.853 1.00 0.16 N ATOM 1084 CA VAL A 128 -5.553 1.273 -6.801 1.00 0.22 C ATOM 1085 C VAL A 128 -4.259 1.834 -6.226 1.00 0.18 C ATOM 1086 O VAL A 128 -4.130 1.944 -5.017 1.00 0.36 O ATOM 1087 CB VAL A 128 -6.522 2.433 -7.081 1.00 0.40 C ATOM 1088 CG1 VAL A 128 -6.083 3.222 -8.301 1.00 1.05 C ATOM 1089 CG2 VAL A 128 -7.940 1.907 -7.238 1.00 0.64 C ATOM 0 H VAL A 128 -6.534 0.790 -5.024 1.00 0.16 H new ATOM 0 HA VAL A 128 -5.348 0.743 -7.731 1.00 0.22 H new ATOM 0 HB VAL A 128 -6.507 3.114 -6.230 1.00 0.40 H new ATOM 0 HG11 VAL A 128 -6.784 4.037 -8.479 1.00 1.05 H new ATOM 0 HG12 VAL A 128 -5.087 3.631 -8.131 1.00 1.05 H new ATOM 0 HG13 VAL A 128 -6.062 2.565 -9.171 1.00 1.05 H new ATOM 0 HG21 VAL A 128 -8.617 2.738 -7.436 1.00 0.64 H new ATOM 0 HG22 VAL A 128 -7.977 1.203 -8.069 1.00 0.64 H new ATOM 0 HG23 VAL A 128 -8.244 1.402 -6.321 1.00 0.64 H new ATOM 1099 N VAL A 129 -3.302 2.174 -7.076 1.00 0.21 N ATOM 1100 CA VAL A 129 -2.032 2.692 -6.591 1.00 0.20 C ATOM 1101 C VAL A 129 -1.697 4.062 -7.193 1.00 0.23 C ATOM 1102 O VAL A 129 -1.246 4.172 -8.333 1.00 0.32 O ATOM 1103 CB VAL A 129 -0.880 1.691 -6.835 1.00 0.24 C ATOM 1104 CG1 VAL A 129 -1.051 0.478 -5.937 1.00 0.21 C ATOM 1105 CG2 VAL A 129 -0.815 1.257 -8.295 1.00 0.31 C ATOM 0 H VAL A 129 -3.378 2.102 -8.091 1.00 0.21 H new ATOM 0 HA VAL A 129 -2.143 2.826 -5.515 1.00 0.20 H new ATOM 0 HB VAL A 129 0.058 2.192 -6.595 1.00 0.24 H new ATOM 0 HG11 VAL A 129 -0.236 -0.224 -6.114 1.00 0.21 H new ATOM 0 HG12 VAL A 129 -1.038 0.793 -4.894 1.00 0.21 H new ATOM 0 HG13 VAL A 129 -2.002 -0.007 -6.158 1.00 0.21 H new ATOM 0 HG21 VAL A 129 0.007 0.553 -8.429 1.00 0.31 H new ATOM 0 HG22 VAL A 129 -1.753 0.777 -8.574 1.00 0.31 H new ATOM 0 HG23 VAL A 129 -0.652 2.130 -8.927 1.00 0.31 H new ATOM 1115 N GLY A 130 -1.950 5.113 -6.427 1.00 0.35 N ATOM 1116 CA GLY A 130 -1.595 6.454 -6.864 1.00 0.36 C ATOM 1117 C GLY A 130 -0.358 6.961 -6.150 1.00 0.44 C ATOM 1118 O GLY A 130 -0.145 6.639 -4.989 1.00 0.85 O ATOM 0 H GLY A 130 -2.395 5.065 -5.510 1.00 0.35 H new ATOM 0 HA2 GLY A 130 -1.421 6.453 -7.940 1.00 0.36 H new ATOM 0 HA3 GLY A 130 -2.428 7.131 -6.677 1.00 0.36 H new ATOM 1122 N LEU A 131 0.458 7.754 -6.828 1.00 0.32 N ATOM 1123 CA LEU A 131 1.715 8.214 -6.245 1.00 0.33 C ATOM 1124 C LEU A 131 1.495 9.392 -5.303 1.00 0.32 C ATOM 1125 O LEU A 131 1.212 10.508 -5.736 1.00 0.45 O ATOM 1126 CB LEU A 131 2.710 8.584 -7.341 1.00 0.37 C ATOM 1127 CG LEU A 131 3.209 7.406 -8.179 1.00 0.46 C ATOM 1128 CD1 LEU A 131 4.191 7.885 -9.227 1.00 0.97 C ATOM 1129 CD2 LEU A 131 3.854 6.350 -7.294 1.00 1.17 C ATOM 0 H LEU A 131 0.278 8.091 -7.774 1.00 0.32 H new ATOM 0 HA LEU A 131 2.129 7.393 -5.659 1.00 0.33 H new ATOM 0 HB2 LEU A 131 2.244 9.312 -8.005 1.00 0.37 H new ATOM 0 HB3 LEU A 131 3.568 9.075 -6.882 1.00 0.37 H new ATOM 0 HG LEU A 131 2.353 6.956 -8.681 1.00 0.46 H new ATOM 0 HD11 LEU A 131 4.538 7.036 -9.816 1.00 0.97 H new ATOM 0 HD12 LEU A 131 3.701 8.605 -9.882 1.00 0.97 H new ATOM 0 HD13 LEU A 131 5.042 8.359 -8.738 1.00 0.97 H new ATOM 0 HD21 LEU A 131 4.202 5.521 -7.911 1.00 1.17 H new ATOM 0 HD22 LEU A 131 4.700 6.787 -6.763 1.00 1.17 H new ATOM 0 HD23 LEU A 131 3.123 5.984 -6.573 1.00 1.17 H new ATOM 1141 N ASP A 132 1.611 9.119 -4.012 1.00 0.24 N ATOM 1142 CA ASP A 132 1.487 10.149 -2.987 1.00 0.23 C ATOM 1143 C ASP A 132 2.849 10.680 -2.591 1.00 0.39 C ATOM 1144 O ASP A 132 3.017 11.866 -2.303 1.00 0.90 O ATOM 1145 CB ASP A 132 0.774 9.598 -1.753 1.00 0.25 C ATOM 1146 CG ASP A 132 -0.714 9.853 -1.818 1.00 0.65 C ATOM 1147 OD1 ASP A 132 -1.343 9.425 -2.803 1.00 1.06 O ATOM 1148 OD2 ASP A 132 -1.266 10.458 -0.876 1.00 0.98 O ATOM 0 H ASP A 132 1.792 8.185 -3.645 1.00 0.24 H new ATOM 0 HA ASP A 132 0.897 10.965 -3.404 1.00 0.23 H new ATOM 0 HB2 ASP A 132 0.958 8.527 -1.672 1.00 0.25 H new ATOM 0 HB3 ASP A 132 1.185 10.061 -0.856 1.00 0.25 H new ATOM 1153 N SER A 133 3.821 9.787 -2.568 1.00 0.55 N ATOM 1154 CA SER A 133 5.170 10.122 -2.148 1.00 0.69 C ATOM 1155 C SER A 133 6.141 9.087 -2.682 1.00 0.56 C ATOM 1156 O SER A 133 5.793 7.921 -2.758 1.00 0.87 O ATOM 1157 CB SER A 133 5.250 10.118 -0.619 1.00 0.95 C ATOM 1158 OG SER A 133 4.304 10.999 -0.040 1.00 1.30 O ATOM 0 H SER A 133 3.699 8.811 -2.839 1.00 0.55 H new ATOM 0 HA SER A 133 5.425 11.109 -2.533 1.00 0.69 H new ATOM 0 HB2 SER A 133 5.079 9.107 -0.249 1.00 0.95 H new ATOM 0 HB3 SER A 133 6.254 10.406 -0.307 1.00 0.95 H new ATOM 0 HG SER A 133 4.271 10.853 0.929 1.00 1.30 H new ATOM 1164 N GLU A 134 7.341 9.494 -3.059 1.00 0.53 N ATOM 1165 CA GLU A 134 8.390 8.526 -3.318 1.00 0.56 C ATOM 1166 C GLU A 134 9.432 8.607 -2.217 1.00 0.58 C ATOM 1167 O GLU A 134 9.900 9.692 -1.883 1.00 1.01 O ATOM 1168 CB GLU A 134 9.013 8.686 -4.708 1.00 0.88 C ATOM 1169 CG GLU A 134 9.658 10.030 -4.992 1.00 0.95 C ATOM 1170 CD GLU A 134 10.409 10.013 -6.310 1.00 1.45 C ATOM 1171 OE1 GLU A 134 9.770 10.210 -7.365 1.00 1.80 O ATOM 1172 OE2 GLU A 134 11.648 9.846 -6.292 1.00 1.85 O ATOM 0 H GLU A 134 7.609 10.469 -3.190 1.00 0.53 H new ATOM 0 HA GLU A 134 7.944 7.531 -3.313 1.00 0.56 H new ATOM 0 HB2 GLU A 134 9.765 7.908 -4.840 1.00 0.88 H new ATOM 0 HB3 GLU A 134 8.239 8.511 -5.455 1.00 0.88 H new ATOM 0 HG2 GLU A 134 8.892 10.805 -5.017 1.00 0.95 H new ATOM 0 HG3 GLU A 134 10.343 10.285 -4.184 1.00 0.95 H new ATOM 1179 N VAL A 135 9.774 7.433 -1.674 1.00 0.43 N ATOM 1180 CA VAL A 135 10.531 7.289 -0.423 1.00 0.38 C ATOM 1181 C VAL A 135 10.331 8.474 0.536 1.00 0.42 C ATOM 1182 O VAL A 135 11.053 9.467 0.491 1.00 0.52 O ATOM 1183 CB VAL A 135 12.039 7.036 -0.661 1.00 0.46 C ATOM 1184 CG1 VAL A 135 12.272 5.573 -1.013 1.00 0.41 C ATOM 1185 CG2 VAL A 135 12.598 7.935 -1.754 1.00 0.62 C ATOM 0 H VAL A 135 9.528 6.539 -2.099 1.00 0.43 H new ATOM 0 HA VAL A 135 10.117 6.402 0.057 1.00 0.38 H new ATOM 0 HB VAL A 135 12.566 7.276 0.263 1.00 0.46 H new ATOM 0 HG11 VAL A 135 13.336 5.404 -1.179 1.00 0.41 H new ATOM 0 HG12 VAL A 135 11.928 4.942 -0.193 1.00 0.41 H new ATOM 0 HG13 VAL A 135 11.719 5.324 -1.919 1.00 0.41 H new ATOM 0 HG21 VAL A 135 13.659 7.726 -1.890 1.00 0.62 H new ATOM 0 HG22 VAL A 135 12.068 7.745 -2.688 1.00 0.62 H new ATOM 0 HG23 VAL A 135 12.468 8.979 -1.469 1.00 0.62 H new ATOM 1195 N LYS A 136 9.380 8.278 1.455 1.00 0.40 N ATOM 1196 CA LYS A 136 8.982 9.234 2.498 1.00 0.50 C ATOM 1197 C LYS A 136 9.080 10.698 2.099 1.00 0.54 C ATOM 1198 O LYS A 136 10.132 11.325 2.215 1.00 0.52 O ATOM 1199 CB LYS A 136 9.757 8.968 3.777 1.00 0.60 C ATOM 1200 CG LYS A 136 10.996 8.142 3.538 1.00 0.59 C ATOM 1201 CD LYS A 136 12.166 8.633 4.339 1.00 1.23 C ATOM 1202 CE LYS A 136 12.516 10.073 3.983 1.00 1.54 C ATOM 1203 NZ LYS A 136 13.050 10.204 2.599 1.00 1.86 N ATOM 0 H LYS A 136 8.842 7.412 1.496 1.00 0.40 H new ATOM 0 HA LYS A 136 7.918 9.061 2.662 1.00 0.50 H new ATOM 0 HB2 LYS A 136 10.039 9.918 4.232 1.00 0.60 H new ATOM 0 HB3 LYS A 136 9.112 8.453 4.489 1.00 0.60 H new ATOM 0 HG2 LYS A 136 10.793 7.102 3.794 1.00 0.59 H new ATOM 0 HG3 LYS A 136 11.248 8.166 2.478 1.00 0.59 H new ATOM 0 HD2 LYS A 136 11.936 8.565 5.402 1.00 1.23 H new ATOM 0 HD3 LYS A 136 13.028 7.991 4.158 1.00 1.23 H new ATOM 0 HE2 LYS A 136 11.628 10.696 4.087 1.00 1.54 H new ATOM 0 HE3 LYS A 136 13.254 10.450 4.691 1.00 1.54 H new ATOM 0 HZ1 LYS A 136 13.367 11.182 2.440 1.00 1.86 H new ATOM 0 HZ2 LYS A 136 13.853 9.555 2.474 1.00 1.86 H new ATOM 0 HZ3 LYS A 136 12.303 9.967 1.915 1.00 1.86 H new ATOM 1217 N LEU A 137 7.963 11.229 1.626 1.00 0.75 N ATOM 1218 CA LEU A 137 7.814 12.676 1.474 1.00 0.97 C ATOM 1219 C LEU A 137 7.581 13.293 2.845 1.00 2.07 C ATOM 1220 O LEU A 137 7.870 14.467 3.073 1.00 2.44 O ATOM 1221 CB LEU A 137 6.637 13.018 0.555 1.00 1.16 C ATOM 1222 CG LEU A 137 6.985 13.351 -0.899 1.00 1.32 C ATOM 1223 CD1 LEU A 137 7.538 14.765 -1.002 1.00 2.13 C ATOM 1224 CD2 LEU A 137 7.985 12.353 -1.465 1.00 2.33 C ATOM 0 H LEU A 137 7.148 10.686 1.341 1.00 0.75 H new ATOM 0 HA LEU A 137 8.723 13.076 1.025 1.00 0.97 H new ATOM 0 HB2 LEU A 137 5.946 12.175 0.557 1.00 1.16 H new ATOM 0 HB3 LEU A 137 6.105 13.868 0.983 1.00 1.16 H new ATOM 0 HG LEU A 137 6.070 13.286 -1.487 1.00 1.32 H new ATOM 0 HD11 LEU A 137 7.780 14.986 -2.041 1.00 2.13 H new ATOM 0 HD12 LEU A 137 6.792 15.474 -0.645 1.00 2.13 H new ATOM 0 HD13 LEU A 137 8.439 14.849 -0.394 1.00 2.13 H new ATOM 0 HD21 LEU A 137 8.214 12.614 -2.498 1.00 2.33 H new ATOM 0 HD22 LEU A 137 8.900 12.379 -0.873 1.00 2.33 H new ATOM 0 HD23 LEU A 137 7.558 11.351 -1.430 1.00 2.33 H new ATOM 1236 N ALA A 138 7.054 12.467 3.741 1.00 2.90 N ATOM 1237 CA ALA A 138 6.767 12.857 5.111 1.00 4.17 C ATOM 1238 C ALA A 138 8.028 13.341 5.818 1.00 4.92 C ATOM 1239 O ALA A 138 8.045 14.500 6.288 1.00 5.35 O ATOM 1240 CB ALA A 138 6.151 11.683 5.860 1.00 4.91 C ATOM 1241 OXT ALA A 138 9.008 12.570 5.878 1.00 5.38 O ATOM 0 H ALA A 138 6.812 11.498 3.532 1.00 2.90 H new ATOM 0 HA ALA A 138 6.057 13.684 5.096 1.00 4.17 H new ATOM 0 HB1 ALA A 138 5.937 11.979 6.887 1.00 4.91 H new ATOM 0 HB2 ALA A 138 5.226 11.383 5.368 1.00 4.91 H new ATOM 0 HB3 ALA A 138 6.849 10.846 5.861 1.00 4.91 H new TER 1247 ALA A 138