USER MOD reduce.3.24.130724 H: found=0, std=0, add=1061, rem=0, adj=48 USER MOD reduce.3.24.130724 removed 1055 hydrogens (84 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 97 TYR OH : rot 0:sc= -0.308 USER MOD Set 1.2: A 99 HIS : no HD1:sc= 1.03 K(o=1,f=-3.9!) USER MOD Set 1.3: A 112 SER OG : rot -76:sc= 0.28 USER MOD Set 2.1: A 96 ASN : amide:sc= 0.532 K(o=0.96,f=-2.6) USER MOD Set 2.2: A 115 SER OG : rot 2:sc= 0.43 USER MOD Set 3.1: A 73 THR OG1 : rot 156:sc= 0.627 USER MOD Set 3.2: A 200 CHO O7 : rot -140:sc= -5.06! USER MOD Set 3.3: A 201 CHO OT2 : rot 165:sc= -0.0661 USER MOD Set 4.1: A 59 THR OG1 : rot 100:sc= 0.379 USER MOD Set 4.2: A 74 MET CE :methyl -171:sc= -2.34! (180deg=-2.4!) USER MOD Set 5.1: A 52 HIS : no HD1:sc= 1.11 K(o=1.5,f=-3.8!) USER MOD Set 5.2: A 58 THR OG1 : rot 20:sc= 0.348 USER MOD Set 6.1: A 3 THR OG1 : rot 177:sc=0.000247 USER MOD Set 6.2: A 42 GLN : amide:sc= 0 K(o=0.00025,f=-0.52) USER MOD Set 7.1: A 38 THR OG1 : rot -158:sc= 0.986 USER MOD Set 7.2: A 51 GLN : amide:sc= 1.08 K(o=2.1,f=-2.2!) USER MOD Single : A 1 ALA N :NH3+ 170:sc= 0 (180deg=-0.105) USER MOD Single : A 5 LYS NZ :NH3+ -162:sc= 1.23 (180deg=0.642) USER MOD Single : A 6 TYR OH : rot 179:sc= 0.72 USER MOD Single : A 10 SER OG : rot 180:sc= -0.0152 USER MOD Single : A 13 ASN : amide:sc= -0.194 K(o=-0.19,f=-0.81) USER MOD Single : A 14 TYR OH : rot -158:sc= 0.918 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= 1.21 (180deg=0.983) USER MOD Single : A 30 MET CE :methyl -171:sc= 0 (180deg=-0.0786) USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 34 CYS SG : rot 36:sc= -3.63! USER MOD Single : A 35 LYS NZ :NH3+ -136:sc= 1.26 (180deg=1.13) USER MOD Single : A 43 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.129 F(o=-0.65,f=-0.13) USER MOD Single : A 48 THR OG1 : rot 160:sc= -0.222 USER MOD Single : A 50 THR OG1 : rot 74:sc= 0.656 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.734 USER MOD Single : A 61 ASN :FLIP amide:sc= -2.54! C(o=-3.4!,f=-2.5!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 24:sc= 1.16 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl -160:sc= -3.96! (180deg=-5.89!) USER MOD Single : A 78 LYS NZ :NH3+ 167:sc= 1.16 (180deg=0.895) USER MOD Single : A 80 LYS NZ :NH3+ 174:sc= 1.31 (180deg=1.21) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 1.24 (180deg=1.24) USER MOD Single : A 85 MET CE :methyl 176:sc= -0.465 (180deg=-0.5) USER MOD Single : A 89 LYS NZ :NH3+ -153:sc= 1.29 (180deg=0.857) USER MOD Single : A 98 HIS : no HE2:sc= 0.264 K(o=0.26,f=-1.3) USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.117 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ 146:sc= 1.32 (180deg=0.0466) USER MOD Single : A 113 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot -117:sc= 1.41 USER MOD Single : A 119 TYR OH : rot -53:sc= 1.28 USER MOD Single : A 120 LYS NZ :NH3+ -143:sc= 0.166 (180deg=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 125 LYS NZ :NH3+ 153:sc= -0.055 (180deg=-0.417) USER MOD Single : A 200 CHO O3 : rot 180:sc= 0 USER MOD Single : A 200 CHO OT2 : rot -130:sc= 0 USER MOD Single : A 201 CHO O3 : rot 176:sc= 1.94 USER MOD Single : A 201 CHO O7 : rot -150:sc= -3.54! USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -14.903 -7.337 -4.744 1.00 1.11 N ATOM 2 CA ALA A 1 -13.948 -8.467 -4.657 1.00 0.53 C ATOM 3 C ALA A 1 -12.607 -8.000 -4.100 1.00 0.42 C ATOM 4 O ALA A 1 -11.551 -8.462 -4.527 1.00 0.51 O ATOM 5 CB ALA A 1 -13.761 -9.109 -6.026 1.00 1.00 C ATOM 0 H1 ALA A 1 -15.745 -7.634 -5.278 1.00 1.11 H new ATOM 0 H2 ALA A 1 -15.185 -7.047 -3.786 1.00 1.11 H new ATOM 0 H3 ALA A 1 -14.450 -6.536 -5.229 1.00 1.11 H new ATOM 0 HA ALA A 1 -14.359 -9.212 -3.976 1.00 0.53 H new ATOM 0 HB1 ALA A 1 -13.057 -9.937 -5.946 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -14.720 -9.481 -6.387 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -13.372 -8.369 -6.725 1.00 1.00 H new ATOM 11 N PHE A 2 -12.651 -7.095 -3.133 1.00 0.35 N ATOM 12 CA PHE A 2 -11.433 -6.569 -2.533 1.00 0.27 C ATOM 13 C PHE A 2 -11.121 -7.276 -1.220 1.00 0.23 C ATOM 14 O PHE A 2 -9.969 -7.316 -0.790 1.00 0.25 O ATOM 15 CB PHE A 2 -11.572 -5.067 -2.282 1.00 0.33 C ATOM 16 CG PHE A 2 -11.224 -4.212 -3.467 1.00 0.31 C ATOM 17 CD1 PHE A 2 -12.183 -3.892 -4.415 1.00 1.24 C ATOM 18 CD2 PHE A 2 -9.938 -3.722 -3.629 1.00 1.22 C ATOM 19 CE1 PHE A 2 -11.866 -3.096 -5.501 1.00 1.24 C ATOM 20 CE2 PHE A 2 -9.615 -2.925 -4.710 1.00 1.23 C ATOM 21 CZ PHE A 2 -10.579 -2.612 -5.649 1.00 0.36 C ATOM 0 H PHE A 2 -13.514 -6.711 -2.748 1.00 0.35 H new ATOM 0 HA PHE A 2 -10.613 -6.747 -3.229 1.00 0.27 H new ATOM 0 HB2 PHE A 2 -12.598 -4.853 -1.982 1.00 0.33 H new ATOM 0 HB3 PHE A 2 -10.931 -4.788 -1.446 1.00 0.33 H new ATOM 0 HD1 PHE A 2 -13.189 -4.268 -4.305 1.00 1.24 H new ATOM 0 HD2 PHE A 2 -9.179 -3.966 -2.901 1.00 1.22 H new ATOM 0 HE1 PHE A 2 -12.623 -2.853 -6.232 1.00 1.24 H new ATOM 0 HE2 PHE A 2 -8.610 -2.547 -4.821 1.00 1.23 H new ATOM 0 HZ PHE A 2 -10.328 -1.991 -6.496 1.00 0.36 H new ATOM 31 N THR A 3 -12.147 -7.841 -0.593 1.00 0.20 N ATOM 32 CA THR A 3 -11.980 -8.528 0.678 1.00 0.19 C ATOM 33 C THR A 3 -11.099 -9.763 0.549 1.00 0.19 C ATOM 34 O THR A 3 -11.225 -10.535 -0.408 1.00 0.26 O ATOM 35 CB THR A 3 -13.329 -8.956 1.265 1.00 0.21 C ATOM 36 OG1 THR A 3 -14.359 -8.048 0.843 1.00 0.24 O ATOM 37 CG2 THR A 3 -13.249 -8.988 2.783 1.00 0.26 C ATOM 0 H THR A 3 -13.104 -7.836 -0.947 1.00 0.20 H new ATOM 0 HA THR A 3 -11.498 -7.813 1.344 1.00 0.19 H new ATOM 0 HB THR A 3 -13.572 -9.956 0.904 1.00 0.21 H new ATOM 0 HG1 THR A 3 -15.225 -8.354 1.184 1.00 0.24 H new ATOM 0 HG21 THR A 3 -14.212 -9.293 3.192 1.00 0.26 H new ATOM 0 HG22 THR A 3 -12.482 -9.698 3.092 1.00 0.26 H new ATOM 0 HG23 THR A 3 -12.995 -7.995 3.155 1.00 0.26 H new ATOM 45 N GLY A 4 -10.222 -9.947 1.524 1.00 0.19 N ATOM 46 CA GLY A 4 -9.346 -11.090 1.520 1.00 0.21 C ATOM 47 C GLY A 4 -7.937 -10.737 1.933 1.00 0.19 C ATOM 48 O GLY A 4 -7.600 -9.558 2.074 1.00 0.21 O ATOM 0 H GLY A 4 -10.104 -9.320 2.320 1.00 0.19 H new ATOM 0 HA2 GLY A 4 -9.740 -11.849 2.196 1.00 0.21 H new ATOM 0 HA3 GLY A 4 -9.330 -11.529 0.522 1.00 0.21 H new ATOM 52 N LYS A 5 -7.120 -11.754 2.154 1.00 0.20 N ATOM 53 CA LYS A 5 -5.731 -11.545 2.525 1.00 0.20 C ATOM 54 C LYS A 5 -4.879 -11.593 1.263 1.00 0.18 C ATOM 55 O LYS A 5 -5.149 -12.378 0.354 1.00 0.19 O ATOM 56 CB LYS A 5 -5.260 -12.582 3.563 1.00 0.23 C ATOM 57 CG LYS A 5 -4.459 -13.734 2.978 1.00 0.28 C ATOM 58 CD LYS A 5 -4.190 -14.827 4.005 1.00 0.31 C ATOM 59 CE LYS A 5 -2.950 -14.534 4.837 1.00 0.56 C ATOM 60 NZ LYS A 5 -1.870 -15.532 4.600 1.00 1.54 N ATOM 0 H LYS A 5 -7.396 -12.733 2.083 1.00 0.20 H new ATOM 0 HA LYS A 5 -5.626 -10.568 2.997 1.00 0.20 H new ATOM 0 HB2 LYS A 5 -4.652 -12.077 4.314 1.00 0.23 H new ATOM 0 HB3 LYS A 5 -6.132 -12.986 4.077 1.00 0.23 H new ATOM 0 HG2 LYS A 5 -5.000 -14.158 2.132 1.00 0.28 H new ATOM 0 HG3 LYS A 5 -3.511 -13.357 2.594 1.00 0.28 H new ATOM 0 HD2 LYS A 5 -5.053 -14.927 4.663 1.00 0.31 H new ATOM 0 HD3 LYS A 5 -4.067 -15.782 3.494 1.00 0.31 H new ATOM 0 HE2 LYS A 5 -2.581 -13.537 4.598 1.00 0.56 H new ATOM 0 HE3 LYS A 5 -3.215 -14.531 5.894 1.00 0.56 H new ATOM 0 HZ1 LYS A 5 -1.182 -15.490 5.379 1.00 1.54 H new ATOM 0 HZ2 LYS A 5 -2.283 -16.486 4.553 1.00 1.54 H new ATOM 0 HZ3 LYS A 5 -1.390 -15.318 3.702 1.00 1.54 H new ATOM 74 N TYR A 6 -3.872 -10.741 1.199 1.00 0.19 N ATOM 75 CA TYR A 6 -3.003 -10.687 0.035 1.00 0.19 C ATOM 76 C TYR A 6 -1.554 -10.812 0.454 1.00 0.19 C ATOM 77 O TYR A 6 -1.162 -10.293 1.493 1.00 0.23 O ATOM 78 CB TYR A 6 -3.204 -9.377 -0.731 1.00 0.22 C ATOM 79 CG TYR A 6 -4.601 -9.191 -1.277 1.00 0.23 C ATOM 80 CD1 TYR A 6 -4.958 -9.706 -2.515 1.00 1.25 C ATOM 81 CD2 TYR A 6 -5.561 -8.497 -0.553 1.00 1.14 C ATOM 82 CE1 TYR A 6 -6.233 -9.538 -3.017 1.00 1.29 C ATOM 83 CE2 TYR A 6 -6.840 -8.327 -1.046 1.00 1.13 C ATOM 84 CZ TYR A 6 -7.172 -8.848 -2.277 1.00 0.35 C ATOM 85 OH TYR A 6 -8.447 -8.682 -2.772 1.00 0.44 O ATOM 0 H TYR A 6 -3.635 -10.078 1.937 1.00 0.19 H new ATOM 0 HA TYR A 6 -3.261 -11.520 -0.618 1.00 0.19 H new ATOM 0 HB2 TYR A 6 -2.969 -8.542 -0.070 1.00 0.22 H new ATOM 0 HB3 TYR A 6 -2.494 -9.339 -1.557 1.00 0.22 H new ATOM 0 HD1 TYR A 6 -4.226 -10.247 -3.096 1.00 1.25 H new ATOM 0 HD2 TYR A 6 -5.304 -8.084 0.411 1.00 1.14 H new ATOM 0 HE1 TYR A 6 -6.494 -9.944 -3.983 1.00 1.29 H new ATOM 0 HE2 TYR A 6 -7.577 -7.788 -0.469 1.00 1.13 H new ATOM 0 HH TYR A 6 -8.989 -8.189 -2.121 1.00 0.44 H new ATOM 95 N GLU A 7 -0.767 -11.507 -0.341 1.00 0.19 N ATOM 96 CA GLU A 7 0.639 -11.678 -0.035 1.00 0.21 C ATOM 97 C GLU A 7 1.491 -11.325 -1.246 1.00 0.19 C ATOM 98 O GLU A 7 1.058 -11.489 -2.388 1.00 0.22 O ATOM 99 CB GLU A 7 0.920 -13.101 0.455 1.00 0.26 C ATOM 100 CG GLU A 7 0.547 -13.297 1.918 1.00 0.33 C ATOM 101 CD GLU A 7 0.950 -14.648 2.470 1.00 0.59 C ATOM 102 OE1 GLU A 7 2.165 -14.910 2.598 1.00 1.41 O ATOM 103 OE2 GLU A 7 0.049 -15.443 2.808 1.00 1.20 O ATOM 0 H GLU A 7 -1.075 -11.961 -1.201 1.00 0.19 H new ATOM 0 HA GLU A 7 0.906 -10.996 0.773 1.00 0.21 H new ATOM 0 HB2 GLU A 7 0.362 -13.810 -0.157 1.00 0.26 H new ATOM 0 HB3 GLU A 7 1.978 -13.326 0.320 1.00 0.26 H new ATOM 0 HG2 GLU A 7 1.019 -12.515 2.513 1.00 0.33 H new ATOM 0 HG3 GLU A 7 -0.530 -13.175 2.029 1.00 0.33 H new ATOM 110 N PHE A 8 2.684 -10.811 -0.964 1.00 0.23 N ATOM 111 CA PHE A 8 3.642 -10.390 -1.983 1.00 0.25 C ATOM 112 C PHE A 8 3.796 -11.416 -3.108 1.00 0.24 C ATOM 113 O PHE A 8 4.272 -12.530 -2.896 1.00 0.33 O ATOM 114 CB PHE A 8 4.994 -10.129 -1.320 1.00 0.33 C ATOM 115 CG PHE A 8 6.089 -9.741 -2.273 1.00 0.68 C ATOM 116 CD1 PHE A 8 5.884 -8.760 -3.228 1.00 1.32 C ATOM 117 CD2 PHE A 8 7.327 -10.361 -2.209 1.00 1.55 C ATOM 118 CE1 PHE A 8 6.890 -8.405 -4.100 1.00 1.57 C ATOM 119 CE2 PHE A 8 8.338 -10.009 -3.081 1.00 1.86 C ATOM 120 CZ PHE A 8 8.118 -9.028 -4.027 1.00 1.49 C ATOM 0 H PHE A 8 3.018 -10.673 -0.010 1.00 0.23 H new ATOM 0 HA PHE A 8 3.261 -9.478 -2.442 1.00 0.25 H new ATOM 0 HB2 PHE A 8 4.875 -9.337 -0.581 1.00 0.33 H new ATOM 0 HB3 PHE A 8 5.299 -11.026 -0.781 1.00 0.33 H new ATOM 0 HD1 PHE A 8 4.925 -8.267 -3.290 1.00 1.32 H new ATOM 0 HD2 PHE A 8 7.503 -11.128 -1.469 1.00 1.55 H new ATOM 0 HE1 PHE A 8 6.717 -7.639 -4.841 1.00 1.57 H new ATOM 0 HE2 PHE A 8 9.298 -10.500 -3.023 1.00 1.86 H new ATOM 0 HZ PHE A 8 8.907 -8.749 -4.709 1.00 1.49 H new ATOM 130 N GLU A 9 3.379 -11.018 -4.305 1.00 0.25 N ATOM 131 CA GLU A 9 3.470 -11.871 -5.477 1.00 0.26 C ATOM 132 C GLU A 9 4.530 -11.339 -6.440 1.00 0.28 C ATOM 133 O GLU A 9 5.473 -12.048 -6.798 1.00 0.34 O ATOM 134 CB GLU A 9 2.119 -11.957 -6.176 1.00 0.27 C ATOM 135 CG GLU A 9 2.192 -12.627 -7.535 1.00 0.35 C ATOM 136 CD GLU A 9 2.212 -14.140 -7.451 1.00 0.61 C ATOM 137 OE1 GLU A 9 3.207 -14.701 -6.944 1.00 1.46 O ATOM 138 OE2 GLU A 9 1.234 -14.771 -7.899 1.00 1.19 O ATOM 0 H GLU A 9 2.971 -10.101 -4.486 1.00 0.25 H new ATOM 0 HA GLU A 9 3.761 -12.871 -5.156 1.00 0.26 H new ATOM 0 HB2 GLU A 9 1.424 -12.508 -5.543 1.00 0.27 H new ATOM 0 HB3 GLU A 9 1.714 -10.952 -6.295 1.00 0.27 H new ATOM 0 HG2 GLU A 9 1.337 -12.314 -8.134 1.00 0.35 H new ATOM 0 HG3 GLU A 9 3.088 -12.286 -8.054 1.00 0.35 H new ATOM 145 N SER A 10 4.382 -10.087 -6.850 1.00 0.26 N ATOM 146 CA SER A 10 5.316 -9.469 -7.784 1.00 0.29 C ATOM 147 C SER A 10 5.474 -7.978 -7.482 1.00 0.27 C ATOM 148 O SER A 10 4.670 -7.402 -6.748 1.00 0.32 O ATOM 149 CB SER A 10 4.828 -9.680 -9.220 1.00 0.34 C ATOM 150 OG SER A 10 4.734 -11.065 -9.529 1.00 1.01 O ATOM 0 H SER A 10 3.622 -9.477 -6.550 1.00 0.26 H new ATOM 0 HA SER A 10 6.292 -9.940 -7.670 1.00 0.29 H new ATOM 0 HB2 SER A 10 3.854 -9.208 -9.350 1.00 0.34 H new ATOM 0 HB3 SER A 10 5.513 -9.194 -9.915 1.00 0.34 H new ATOM 0 HG SER A 10 4.419 -11.174 -10.451 1.00 1.01 H new ATOM 156 N ASP A 11 6.496 -7.362 -8.066 1.00 0.28 N ATOM 157 CA ASP A 11 6.776 -5.947 -7.850 1.00 0.28 C ATOM 158 C ASP A 11 7.470 -5.360 -9.074 1.00 0.28 C ATOM 159 O ASP A 11 8.098 -6.084 -9.850 1.00 0.34 O ATOM 160 CB ASP A 11 7.650 -5.780 -6.603 1.00 0.32 C ATOM 161 CG ASP A 11 8.040 -4.348 -6.310 1.00 0.97 C ATOM 162 OD1 ASP A 11 8.972 -3.835 -6.968 1.00 1.71 O ATOM 163 OD2 ASP A 11 7.429 -3.744 -5.411 1.00 1.72 O ATOM 0 H ASP A 11 7.149 -7.825 -8.698 1.00 0.28 H new ATOM 0 HA ASP A 11 5.839 -5.412 -7.696 1.00 0.28 H new ATOM 0 HB2 ASP A 11 7.117 -6.184 -5.742 1.00 0.32 H new ATOM 0 HB3 ASP A 11 8.556 -6.374 -6.725 1.00 0.32 H new ATOM 168 N GLU A 12 7.349 -4.054 -9.238 1.00 0.26 N ATOM 169 CA GLU A 12 7.943 -3.358 -10.368 1.00 0.27 C ATOM 170 C GLU A 12 8.272 -1.910 -10.011 1.00 0.25 C ATOM 171 O GLU A 12 7.471 -1.217 -9.375 1.00 0.26 O ATOM 172 CB GLU A 12 6.990 -3.400 -11.564 1.00 0.32 C ATOM 173 CG GLU A 12 7.404 -2.501 -12.721 1.00 0.38 C ATOM 174 CD GLU A 12 6.478 -2.606 -13.918 1.00 0.57 C ATOM 175 OE1 GLU A 12 6.371 -3.704 -14.499 1.00 1.00 O ATOM 176 OE2 GLU A 12 5.855 -1.586 -14.293 1.00 1.44 O ATOM 0 H GLU A 12 6.839 -3.448 -8.595 1.00 0.26 H new ATOM 0 HA GLU A 12 8.873 -3.862 -10.629 1.00 0.27 H new ATOM 0 HB2 GLU A 12 6.920 -4.427 -11.923 1.00 0.32 H new ATOM 0 HB3 GLU A 12 5.993 -3.110 -11.231 1.00 0.32 H new ATOM 0 HG2 GLU A 12 7.429 -1.467 -12.378 1.00 0.38 H new ATOM 0 HG3 GLU A 12 8.417 -2.759 -13.029 1.00 0.38 H new ATOM 183 N ASN A 13 9.455 -1.476 -10.437 1.00 0.25 N ATOM 184 CA ASN A 13 9.946 -0.110 -10.209 1.00 0.25 C ATOM 185 C ASN A 13 10.146 0.188 -8.726 1.00 0.23 C ATOM 186 O ASN A 13 9.923 1.312 -8.276 1.00 0.30 O ATOM 187 CB ASN A 13 8.986 0.914 -10.826 1.00 0.29 C ATOM 188 CG ASN A 13 9.659 1.794 -11.859 1.00 0.45 C ATOM 189 OD1 ASN A 13 10.568 1.362 -12.567 1.00 0.51 O ATOM 190 ND2 ASN A 13 9.211 3.036 -11.959 1.00 0.84 N ATOM 0 H ASN A 13 10.109 -2.063 -10.955 1.00 0.25 H new ATOM 0 HA ASN A 13 10.919 -0.032 -10.695 1.00 0.25 H new ATOM 0 HB2 ASN A 13 8.150 0.390 -11.290 1.00 0.29 H new ATOM 0 HB3 ASN A 13 8.571 1.540 -10.036 1.00 0.29 H new ATOM 0 HD21 ASN A 13 9.622 3.673 -12.642 1.00 0.84 H new ATOM 0 HD22 ASN A 13 8.455 3.356 -11.353 1.00 0.84 H new ATOM 197 N TYR A 14 10.594 -0.815 -7.976 1.00 0.23 N ATOM 198 CA TYR A 14 10.818 -0.657 -6.544 1.00 0.25 C ATOM 199 C TYR A 14 11.912 0.372 -6.236 1.00 0.23 C ATOM 200 O TYR A 14 11.650 1.396 -5.604 1.00 0.22 O ATOM 201 CB TYR A 14 11.188 -1.997 -5.894 1.00 0.32 C ATOM 202 CG TYR A 14 11.253 -1.933 -4.384 1.00 0.44 C ATOM 203 CD1 TYR A 14 12.389 -1.456 -3.742 1.00 1.30 C ATOM 204 CD2 TYR A 14 10.171 -2.319 -3.600 1.00 1.28 C ATOM 205 CE1 TYR A 14 12.448 -1.367 -2.369 1.00 1.36 C ATOM 206 CE2 TYR A 14 10.221 -2.225 -2.221 1.00 1.39 C ATOM 207 CZ TYR A 14 11.363 -1.747 -1.615 1.00 0.78 C ATOM 208 OH TYR A 14 11.417 -1.631 -0.250 1.00 0.98 O ATOM 0 H TYR A 14 10.809 -1.745 -8.337 1.00 0.23 H new ATOM 0 HA TYR A 14 9.880 -0.293 -6.125 1.00 0.25 H new ATOM 0 HB2 TYR A 14 10.456 -2.749 -6.187 1.00 0.32 H new ATOM 0 HB3 TYR A 14 12.154 -2.325 -6.279 1.00 0.32 H new ATOM 0 HD1 TYR A 14 13.241 -1.149 -4.330 1.00 1.30 H new ATOM 0 HD2 TYR A 14 9.278 -2.698 -4.075 1.00 1.28 H new ATOM 0 HE1 TYR A 14 13.342 -1.000 -1.887 1.00 1.36 H new ATOM 0 HE2 TYR A 14 9.372 -2.524 -1.624 1.00 1.39 H new ATOM 0 HH TYR A 14 10.762 -2.236 0.156 1.00 0.98 H new ATOM 218 N ASP A 15 13.136 0.094 -6.677 1.00 0.25 N ATOM 219 CA ASP A 15 14.271 0.981 -6.406 1.00 0.26 C ATOM 220 C ASP A 15 14.043 2.383 -6.946 1.00 0.25 C ATOM 221 O ASP A 15 14.428 3.364 -6.315 1.00 0.26 O ATOM 222 CB ASP A 15 15.561 0.422 -6.988 1.00 0.33 C ATOM 223 CG ASP A 15 15.968 -0.890 -6.343 1.00 0.50 C ATOM 224 OD1 ASP A 15 15.398 -1.942 -6.709 1.00 1.30 O ATOM 225 OD2 ASP A 15 16.850 -0.870 -5.457 1.00 1.18 O ATOM 0 H ASP A 15 13.370 -0.735 -7.222 1.00 0.25 H new ATOM 0 HA ASP A 15 14.361 1.040 -5.321 1.00 0.26 H new ATOM 0 HB2 ASP A 15 15.437 0.273 -8.061 1.00 0.33 H new ATOM 0 HB3 ASP A 15 16.361 1.151 -6.857 1.00 0.33 H new ATOM 230 N ASP A 16 13.431 2.475 -8.112 1.00 0.25 N ATOM 231 CA ASP A 16 13.146 3.769 -8.724 1.00 0.26 C ATOM 232 C ASP A 16 12.236 4.579 -7.809 1.00 0.25 C ATOM 233 O ASP A 16 12.415 5.784 -7.632 1.00 0.29 O ATOM 234 CB ASP A 16 12.474 3.582 -10.087 1.00 0.29 C ATOM 235 CG ASP A 16 13.465 3.433 -11.223 1.00 0.72 C ATOM 236 OD1 ASP A 16 13.945 4.464 -11.737 1.00 1.46 O ATOM 237 OD2 ASP A 16 13.764 2.281 -11.610 1.00 1.20 O ATOM 0 H ASP A 16 13.120 1.672 -8.658 1.00 0.25 H new ATOM 0 HA ASP A 16 14.086 4.302 -8.869 1.00 0.26 H new ATOM 0 HB2 ASP A 16 11.835 2.700 -10.052 1.00 0.29 H new ATOM 0 HB3 ASP A 16 11.827 4.436 -10.287 1.00 0.29 H new ATOM 242 N PHE A 17 11.280 3.884 -7.210 1.00 0.21 N ATOM 243 CA PHE A 17 10.318 4.492 -6.308 1.00 0.21 C ATOM 244 C PHE A 17 10.990 4.959 -5.019 1.00 0.20 C ATOM 245 O PHE A 17 10.909 6.131 -4.658 1.00 0.23 O ATOM 246 CB PHE A 17 9.221 3.481 -5.979 1.00 0.21 C ATOM 247 CG PHE A 17 8.123 4.027 -5.118 1.00 0.24 C ATOM 248 CD1 PHE A 17 7.298 5.041 -5.579 1.00 1.22 C ATOM 249 CD2 PHE A 17 7.910 3.516 -3.848 1.00 1.17 C ATOM 250 CE1 PHE A 17 6.281 5.535 -4.788 1.00 1.24 C ATOM 251 CE2 PHE A 17 6.896 4.007 -3.054 1.00 1.19 C ATOM 252 CZ PHE A 17 6.082 5.018 -3.525 1.00 0.38 C ATOM 0 H PHE A 17 11.151 2.880 -7.337 1.00 0.21 H new ATOM 0 HA PHE A 17 9.886 5.363 -6.801 1.00 0.21 H new ATOM 0 HB2 PHE A 17 8.789 3.114 -6.910 1.00 0.21 H new ATOM 0 HB3 PHE A 17 9.670 2.624 -5.476 1.00 0.21 H new ATOM 0 HD1 PHE A 17 7.453 5.448 -6.567 1.00 1.22 H new ATOM 0 HD2 PHE A 17 8.545 2.725 -3.476 1.00 1.17 H new ATOM 0 HE1 PHE A 17 5.643 6.324 -5.157 1.00 1.24 H new ATOM 0 HE2 PHE A 17 6.738 3.602 -2.065 1.00 1.19 H new ATOM 0 HZ PHE A 17 5.288 5.405 -2.903 1.00 0.38 H new ATOM 262 N VAL A 18 11.670 4.034 -4.345 1.00 0.19 N ATOM 263 CA VAL A 18 12.338 4.338 -3.083 1.00 0.21 C ATOM 264 C VAL A 18 13.410 5.416 -3.244 1.00 0.23 C ATOM 265 O VAL A 18 13.601 6.240 -2.348 1.00 0.26 O ATOM 266 CB VAL A 18 12.950 3.079 -2.437 1.00 0.23 C ATOM 267 CG1 VAL A 18 11.856 2.109 -2.028 1.00 0.25 C ATOM 268 CG2 VAL A 18 13.934 2.410 -3.375 1.00 0.23 C ATOM 0 H VAL A 18 11.773 3.067 -4.653 1.00 0.19 H new ATOM 0 HA VAL A 18 11.565 4.724 -2.418 1.00 0.21 H new ATOM 0 HB VAL A 18 13.494 3.386 -1.544 1.00 0.23 H new ATOM 0 HG11 VAL A 18 12.304 1.225 -1.574 1.00 0.25 H new ATOM 0 HG12 VAL A 18 11.193 2.590 -1.309 1.00 0.25 H new ATOM 0 HG13 VAL A 18 11.284 1.814 -2.908 1.00 0.25 H new ATOM 0 HG21 VAL A 18 14.351 1.525 -2.894 1.00 0.23 H new ATOM 0 HG22 VAL A 18 13.422 2.118 -4.292 1.00 0.23 H new ATOM 0 HG23 VAL A 18 14.738 3.105 -3.615 1.00 0.23 H new ATOM 278 N LYS A 19 14.103 5.420 -4.382 1.00 0.24 N ATOM 279 CA LYS A 19 15.133 6.426 -4.630 1.00 0.29 C ATOM 280 C LYS A 19 14.507 7.803 -4.870 1.00 0.30 C ATOM 281 O LYS A 19 15.127 8.829 -4.604 1.00 0.34 O ATOM 282 CB LYS A 19 16.003 6.029 -5.828 1.00 0.33 C ATOM 283 CG LYS A 19 17.089 5.021 -5.487 1.00 0.41 C ATOM 284 CD LYS A 19 18.155 5.631 -4.589 1.00 0.54 C ATOM 285 CE LYS A 19 18.775 4.589 -3.674 1.00 0.87 C ATOM 286 NZ LYS A 19 19.836 5.166 -2.802 1.00 1.18 N ATOM 0 H LYS A 19 13.972 4.747 -5.137 1.00 0.24 H new ATOM 0 HA LYS A 19 15.764 6.482 -3.743 1.00 0.29 H new ATOM 0 HB2 LYS A 19 15.365 5.612 -6.607 1.00 0.33 H new ATOM 0 HB3 LYS A 19 16.467 6.924 -6.241 1.00 0.33 H new ATOM 0 HG2 LYS A 19 16.644 4.159 -4.991 1.00 0.41 H new ATOM 0 HG3 LYS A 19 17.550 4.657 -6.405 1.00 0.41 H new ATOM 0 HD2 LYS A 19 18.932 6.086 -5.203 1.00 0.54 H new ATOM 0 HD3 LYS A 19 17.715 6.428 -3.989 1.00 0.54 H new ATOM 0 HE2 LYS A 19 17.998 4.145 -3.052 1.00 0.87 H new ATOM 0 HE3 LYS A 19 19.199 3.785 -4.276 1.00 0.87 H new ATOM 0 HZ1 LYS A 19 20.231 4.419 -2.195 1.00 1.18 H new ATOM 0 HZ2 LYS A 19 20.592 5.567 -3.394 1.00 1.18 H new ATOM 0 HZ3 LYS A 19 19.427 5.915 -2.208 1.00 1.18 H new ATOM 300 N LYS A 20 13.274 7.817 -5.361 1.00 0.29 N ATOM 301 CA LYS A 20 12.580 9.070 -5.644 1.00 0.32 C ATOM 302 C LYS A 20 11.961 9.664 -4.388 1.00 0.31 C ATOM 303 O LYS A 20 12.056 10.867 -4.146 1.00 0.36 O ATOM 304 CB LYS A 20 11.484 8.861 -6.687 1.00 0.35 C ATOM 305 CG LYS A 20 10.799 10.151 -7.129 1.00 0.58 C ATOM 306 CD LYS A 20 11.763 11.080 -7.858 1.00 0.73 C ATOM 307 CE LYS A 20 12.201 10.495 -9.191 1.00 0.71 C ATOM 308 NZ LYS A 20 13.237 11.327 -9.858 1.00 0.88 N ATOM 0 H LYS A 20 12.734 6.978 -5.572 1.00 0.29 H new ATOM 0 HA LYS A 20 13.326 9.764 -6.031 1.00 0.32 H new ATOM 0 HB2 LYS A 20 11.915 8.372 -7.561 1.00 0.35 H new ATOM 0 HB3 LYS A 20 10.733 8.183 -6.281 1.00 0.35 H new ATOM 0 HG2 LYS A 20 9.960 9.912 -7.782 1.00 0.58 H new ATOM 0 HG3 LYS A 20 10.389 10.662 -6.258 1.00 0.58 H new ATOM 0 HD2 LYS A 20 11.285 12.045 -8.023 1.00 0.73 H new ATOM 0 HD3 LYS A 20 12.638 11.260 -7.234 1.00 0.73 H new ATOM 0 HE2 LYS A 20 12.591 9.490 -9.034 1.00 0.71 H new ATOM 0 HE3 LYS A 20 11.335 10.402 -9.847 1.00 0.71 H new ATOM 0 HZ1 LYS A 20 13.504 10.889 -10.763 1.00 0.88 H new ATOM 0 HZ2 LYS A 20 12.858 12.279 -10.033 1.00 0.88 H new ATOM 0 HZ3 LYS A 20 14.075 11.395 -9.245 1.00 0.88 H new ATOM 322 N ILE A 21 11.317 8.818 -3.594 1.00 0.28 N ATOM 323 CA ILE A 21 10.656 9.271 -2.378 1.00 0.30 C ATOM 324 C ILE A 21 11.664 9.675 -1.305 1.00 0.32 C ATOM 325 O ILE A 21 11.324 10.384 -0.354 1.00 0.39 O ATOM 326 CB ILE A 21 9.690 8.200 -1.830 1.00 0.29 C ATOM 327 CG1 ILE A 21 10.430 6.890 -1.545 1.00 0.24 C ATOM 328 CG2 ILE A 21 8.561 7.971 -2.830 1.00 0.31 C ATOM 329 CD1 ILE A 21 9.672 5.949 -0.637 1.00 0.30 C ATOM 0 H ILE A 21 11.239 7.816 -3.770 1.00 0.28 H new ATOM 0 HA ILE A 21 10.074 10.154 -2.644 1.00 0.30 H new ATOM 0 HB ILE A 21 9.269 8.555 -0.889 1.00 0.29 H new ATOM 0 HG12 ILE A 21 10.633 6.385 -2.489 1.00 0.24 H new ATOM 0 HG13 ILE A 21 11.395 7.119 -1.092 1.00 0.24 H new ATOM 0 HG21 ILE A 21 7.879 7.214 -2.442 1.00 0.31 H new ATOM 0 HG22 ILE A 21 8.018 8.903 -2.985 1.00 0.31 H new ATOM 0 HG23 ILE A 21 8.978 7.632 -3.778 1.00 0.31 H new ATOM 0 HD11 ILE A 21 10.258 5.043 -0.481 1.00 0.30 H new ATOM 0 HD12 ILE A 21 9.492 6.435 0.322 1.00 0.30 H new ATOM 0 HD13 ILE A 21 8.718 5.689 -1.097 1.00 0.30 H new ATOM 341 N GLY A 22 12.902 9.241 -1.478 1.00 0.31 N ATOM 342 CA GLY A 22 13.941 9.575 -0.532 1.00 0.36 C ATOM 343 C GLY A 22 13.966 8.635 0.649 1.00 0.34 C ATOM 344 O GLY A 22 14.184 9.056 1.786 1.00 0.39 O ATOM 0 H GLY A 22 13.205 8.661 -2.260 1.00 0.31 H new ATOM 0 HA2 GLY A 22 14.908 9.549 -1.034 1.00 0.36 H new ATOM 0 HA3 GLY A 22 13.793 10.595 -0.178 1.00 0.36 H new ATOM 348 N LEU A 23 13.743 7.357 0.380 1.00 0.28 N ATOM 349 CA LEU A 23 13.756 6.347 1.425 1.00 0.27 C ATOM 350 C LEU A 23 15.194 5.989 1.793 1.00 0.28 C ATOM 351 O LEU A 23 16.037 5.812 0.911 1.00 0.28 O ATOM 352 CB LEU A 23 13.016 5.093 0.949 1.00 0.24 C ATOM 353 CG LEU A 23 12.600 4.118 2.051 1.00 0.26 C ATOM 354 CD1 LEU A 23 11.522 4.726 2.926 1.00 0.31 C ATOM 355 CD2 LEU A 23 12.107 2.814 1.449 1.00 0.25 C ATOM 0 H LEU A 23 13.551 6.996 -0.554 1.00 0.28 H new ATOM 0 HA LEU A 23 13.254 6.747 2.306 1.00 0.27 H new ATOM 0 HB2 LEU A 23 12.123 5.403 0.406 1.00 0.24 H new ATOM 0 HB3 LEU A 23 13.653 4.563 0.240 1.00 0.24 H new ATOM 0 HG LEU A 23 13.474 3.912 2.669 1.00 0.26 H new ATOM 0 HD11 LEU A 23 11.241 4.016 3.703 1.00 0.31 H new ATOM 0 HD12 LEU A 23 11.900 5.638 3.388 1.00 0.31 H new ATOM 0 HD13 LEU A 23 10.649 4.962 2.317 1.00 0.31 H new ATOM 0 HD21 LEU A 23 11.815 2.132 2.248 1.00 0.25 H new ATOM 0 HD22 LEU A 23 11.248 3.011 0.808 1.00 0.25 H new ATOM 0 HD23 LEU A 23 12.904 2.362 0.859 1.00 0.25 H new ATOM 367 N PRO A 24 15.503 5.909 3.093 1.00 0.30 N ATOM 368 CA PRO A 24 16.843 5.550 3.560 1.00 0.32 C ATOM 369 C PRO A 24 17.186 4.099 3.236 1.00 0.30 C ATOM 370 O PRO A 24 16.310 3.228 3.263 1.00 0.28 O ATOM 371 CB PRO A 24 16.767 5.759 5.073 1.00 0.37 C ATOM 372 CG PRO A 24 15.318 5.669 5.405 1.00 0.36 C ATOM 373 CD PRO A 24 14.578 6.181 4.205 1.00 0.33 C ATOM 0 HA PRO A 24 17.619 6.146 3.080 1.00 0.32 H new ATOM 0 HB2 PRO A 24 17.341 5.000 5.605 1.00 0.37 H new ATOM 0 HB3 PRO A 24 17.177 6.728 5.358 1.00 0.37 H new ATOM 0 HG2 PRO A 24 15.033 4.641 5.628 1.00 0.36 H new ATOM 0 HG3 PRO A 24 15.084 6.263 6.289 1.00 0.36 H new ATOM 0 HD2 PRO A 24 13.626 5.668 4.071 1.00 0.33 H new ATOM 0 HD3 PRO A 24 14.357 7.245 4.293 1.00 0.33 H new ATOM 381 N ALA A 25 18.457 3.847 2.941 1.00 0.32 N ATOM 382 CA ALA A 25 18.932 2.506 2.601 1.00 0.34 C ATOM 383 C ALA A 25 18.563 1.493 3.677 1.00 0.35 C ATOM 384 O ALA A 25 18.231 0.343 3.380 1.00 0.36 O ATOM 385 CB ALA A 25 20.439 2.518 2.396 1.00 0.39 C ATOM 0 H ALA A 25 19.185 4.561 2.930 1.00 0.32 H new ATOM 0 HA ALA A 25 18.443 2.207 1.674 1.00 0.34 H new ATOM 0 HB1 ALA A 25 20.780 1.514 2.143 1.00 0.39 H new ATOM 0 HB2 ALA A 25 20.690 3.201 1.585 1.00 0.39 H new ATOM 0 HB3 ALA A 25 20.928 2.847 3.313 1.00 0.39 H new ATOM 391 N ASP A 26 18.615 1.939 4.924 1.00 0.37 N ATOM 392 CA ASP A 26 18.302 1.094 6.069 1.00 0.40 C ATOM 393 C ASP A 26 16.883 0.547 5.994 1.00 0.38 C ATOM 394 O ASP A 26 16.630 -0.593 6.371 1.00 0.42 O ATOM 395 CB ASP A 26 18.467 1.875 7.375 1.00 0.46 C ATOM 396 CG ASP A 26 19.916 2.136 7.719 1.00 1.27 C ATOM 397 OD1 ASP A 26 20.578 1.222 8.257 1.00 2.03 O ATOM 398 OD2 ASP A 26 20.401 3.257 7.456 1.00 2.03 O ATOM 0 H ASP A 26 18.875 2.894 5.171 1.00 0.37 H new ATOM 0 HA ASP A 26 19.000 0.257 6.048 1.00 0.40 H new ATOM 0 HB2 ASP A 26 17.940 2.826 7.294 1.00 0.46 H new ATOM 0 HB3 ASP A 26 17.999 1.319 8.188 1.00 0.46 H new ATOM 403 N LYS A 27 15.957 1.359 5.505 1.00 0.35 N ATOM 404 CA LYS A 27 14.568 0.940 5.408 1.00 0.36 C ATOM 405 C LYS A 27 14.310 0.244 4.083 1.00 0.32 C ATOM 406 O LYS A 27 13.510 -0.680 4.014 1.00 0.33 O ATOM 407 CB LYS A 27 13.627 2.134 5.562 1.00 0.39 C ATOM 408 CG LYS A 27 13.756 2.856 6.895 1.00 0.41 C ATOM 409 CD LYS A 27 13.361 1.969 8.064 1.00 0.48 C ATOM 410 CE LYS A 27 13.442 2.732 9.377 1.00 0.72 C ATOM 411 NZ LYS A 27 13.209 1.857 10.556 1.00 0.94 N ATOM 0 H LYS A 27 16.141 2.305 5.172 1.00 0.35 H new ATOM 0 HA LYS A 27 14.373 0.237 6.218 1.00 0.36 H new ATOM 0 HB2 LYS A 27 13.821 2.842 4.757 1.00 0.39 H new ATOM 0 HB3 LYS A 27 12.599 1.791 5.444 1.00 0.39 H new ATOM 0 HG2 LYS A 27 14.784 3.193 7.027 1.00 0.41 H new ATOM 0 HG3 LYS A 27 13.128 3.747 6.887 1.00 0.41 H new ATOM 0 HD2 LYS A 27 12.347 1.597 7.917 1.00 0.48 H new ATOM 0 HD3 LYS A 27 14.017 1.099 8.103 1.00 0.48 H new ATOM 0 HE2 LYS A 27 14.423 3.199 9.463 1.00 0.72 H new ATOM 0 HE3 LYS A 27 12.706 3.536 9.373 1.00 0.72 H new ATOM 0 HZ1 LYS A 27 12.906 2.437 11.364 1.00 0.94 H new ATOM 0 HZ2 LYS A 27 12.469 1.162 10.332 1.00 0.94 H new ATOM 0 HZ3 LYS A 27 14.089 1.359 10.798 1.00 0.94 H new ATOM 425 N ILE A 28 14.995 0.698 3.038 1.00 0.30 N ATOM 426 CA ILE A 28 14.839 0.122 1.709 1.00 0.29 C ATOM 427 C ILE A 28 15.106 -1.382 1.732 1.00 0.34 C ATOM 428 O ILE A 28 14.247 -2.181 1.359 1.00 0.37 O ATOM 429 CB ILE A 28 15.790 0.786 0.683 1.00 0.29 C ATOM 430 CG1 ILE A 28 15.342 2.213 0.362 1.00 0.25 C ATOM 431 CG2 ILE A 28 15.862 -0.040 -0.593 1.00 0.35 C ATOM 432 CD1 ILE A 28 16.289 2.962 -0.553 1.00 0.26 C ATOM 0 H ILE A 28 15.665 1.465 3.088 1.00 0.30 H new ATOM 0 HA ILE A 28 13.809 0.306 1.405 1.00 0.29 H new ATOM 0 HB ILE A 28 16.784 0.831 1.129 1.00 0.29 H new ATOM 0 HG12 ILE A 28 14.356 2.178 -0.101 1.00 0.25 H new ATOM 0 HG13 ILE A 28 15.237 2.769 1.294 1.00 0.25 H new ATOM 0 HG21 ILE A 28 16.535 0.443 -1.302 1.00 0.35 H new ATOM 0 HG22 ILE A 28 16.235 -1.037 -0.360 1.00 0.35 H new ATOM 0 HG23 ILE A 28 14.868 -0.118 -1.033 1.00 0.35 H new ATOM 0 HD11 ILE A 28 15.903 3.965 -0.734 1.00 0.26 H new ATOM 0 HD12 ILE A 28 17.271 3.030 -0.084 1.00 0.26 H new ATOM 0 HD13 ILE A 28 16.376 2.430 -1.501 1.00 0.26 H new ATOM 444 N GLU A 29 16.292 -1.761 2.202 1.00 0.37 N ATOM 445 CA GLU A 29 16.676 -3.170 2.261 1.00 0.44 C ATOM 446 C GLU A 29 15.832 -3.926 3.276 1.00 0.43 C ATOM 447 O GLU A 29 15.559 -5.118 3.117 1.00 0.47 O ATOM 448 CB GLU A 29 18.155 -3.301 2.620 1.00 0.52 C ATOM 449 CG GLU A 29 19.072 -2.464 1.747 1.00 0.55 C ATOM 450 CD GLU A 29 19.026 -2.863 0.292 1.00 0.94 C ATOM 451 OE1 GLU A 29 19.741 -3.810 -0.086 1.00 1.41 O ATOM 452 OE2 GLU A 29 18.299 -2.218 -0.486 1.00 1.73 O ATOM 0 H GLU A 29 17.002 -1.115 2.547 1.00 0.37 H new ATOM 0 HA GLU A 29 16.504 -3.605 1.277 1.00 0.44 H new ATOM 0 HB2 GLU A 29 18.294 -3.010 3.661 1.00 0.52 H new ATOM 0 HB3 GLU A 29 18.448 -4.348 2.540 1.00 0.52 H new ATOM 0 HG2 GLU A 29 18.794 -1.414 1.839 1.00 0.55 H new ATOM 0 HG3 GLU A 29 20.095 -2.556 2.111 1.00 0.55 H new ATOM 459 N MET A 30 15.429 -3.222 4.321 1.00 0.41 N ATOM 460 CA MET A 30 14.612 -3.796 5.370 1.00 0.43 C ATOM 461 C MET A 30 13.240 -4.174 4.821 1.00 0.40 C ATOM 462 O MET A 30 12.691 -5.218 5.163 1.00 0.41 O ATOM 463 CB MET A 30 14.463 -2.790 6.514 1.00 0.45 C ATOM 464 CG MET A 30 13.954 -3.395 7.810 1.00 0.46 C ATOM 465 SD MET A 30 15.026 -4.694 8.445 1.00 0.63 S ATOM 466 CE MET A 30 13.944 -6.105 8.256 1.00 0.97 C ATOM 0 H MET A 30 15.660 -2.239 4.463 1.00 0.41 H new ATOM 0 HA MET A 30 15.096 -4.697 5.747 1.00 0.43 H new ATOM 0 HB2 MET A 30 15.429 -2.321 6.699 1.00 0.45 H new ATOM 0 HB3 MET A 30 13.780 -2.000 6.202 1.00 0.45 H new ATOM 0 HG2 MET A 30 13.860 -2.609 8.560 1.00 0.46 H new ATOM 0 HG3 MET A 30 12.956 -3.802 7.648 1.00 0.46 H new ATOM 0 HE1 MET A 30 14.387 -6.971 8.748 1.00 0.97 H new ATOM 0 HE2 MET A 30 12.977 -5.885 8.709 1.00 0.97 H new ATOM 0 HE3 MET A 30 13.808 -6.320 7.196 1.00 0.97 H new ATOM 476 N GLY A 31 12.711 -3.332 3.944 1.00 0.39 N ATOM 477 CA GLY A 31 11.403 -3.577 3.380 1.00 0.39 C ATOM 478 C GLY A 31 11.419 -3.959 1.911 1.00 0.43 C ATOM 479 O GLY A 31 10.522 -3.569 1.167 1.00 0.51 O ATOM 0 H GLY A 31 13.168 -2.482 3.614 1.00 0.39 H new ATOM 0 HA2 GLY A 31 10.920 -4.374 3.945 1.00 0.39 H new ATOM 0 HA3 GLY A 31 10.793 -2.682 3.504 1.00 0.39 H new ATOM 483 N ARG A 32 12.400 -4.743 1.485 1.00 0.43 N ATOM 484 CA ARG A 32 12.472 -5.140 0.081 1.00 0.50 C ATOM 485 C ARG A 32 12.399 -6.658 -0.063 1.00 0.44 C ATOM 486 O ARG A 32 13.033 -7.392 0.694 1.00 0.49 O ATOM 487 CB ARG A 32 13.737 -4.597 -0.604 1.00 0.60 C ATOM 488 CG ARG A 32 15.019 -5.320 -0.221 1.00 0.78 C ATOM 489 CD ARG A 32 16.092 -5.215 -1.301 1.00 0.71 C ATOM 490 NE ARG A 32 16.469 -3.838 -1.621 1.00 1.31 N ATOM 491 CZ ARG A 32 16.347 -3.277 -2.829 1.00 1.49 C ATOM 492 NH1 ARG A 32 15.738 -3.917 -3.823 1.00 1.65 N ATOM 493 NH2 ARG A 32 16.838 -2.063 -3.035 1.00 2.27 N ATOM 0 H ARG A 32 13.145 -5.112 2.076 1.00 0.43 H new ATOM 0 HA ARG A 32 11.609 -4.701 -0.420 1.00 0.50 H new ATOM 0 HB2 ARG A 32 13.607 -4.662 -1.684 1.00 0.60 H new ATOM 0 HB3 ARG A 32 13.843 -3.540 -0.359 1.00 0.60 H new ATOM 0 HG2 ARG A 32 15.403 -4.904 0.710 1.00 0.78 H new ATOM 0 HG3 ARG A 32 14.798 -6.371 -0.033 1.00 0.78 H new ATOM 0 HD2 ARG A 32 16.978 -5.759 -0.975 1.00 0.71 H new ATOM 0 HD3 ARG A 32 15.733 -5.704 -2.207 1.00 0.71 H new ATOM 0 HE ARG A 32 16.852 -3.265 -0.869 1.00 1.31 H new ATOM 0 HH11 ARG A 32 15.355 -4.850 -3.670 1.00 1.65 H new ATOM 0 HH12 ARG A 32 15.653 -3.475 -4.738 1.00 1.65 H new ATOM 0 HH21 ARG A 32 17.304 -1.566 -2.276 1.00 2.27 H new ATOM 0 HH22 ARG A 32 16.750 -1.626 -3.953 1.00 2.27 H new ATOM 507 N ASN A 33 11.591 -7.103 -1.026 1.00 0.53 N ATOM 508 CA ASN A 33 11.412 -8.531 -1.325 1.00 0.67 C ATOM 509 C ASN A 33 10.885 -9.303 -0.122 1.00 0.59 C ATOM 510 O ASN A 33 11.046 -10.520 -0.038 1.00 0.69 O ATOM 511 CB ASN A 33 12.723 -9.160 -1.808 1.00 0.80 C ATOM 512 CG ASN A 33 13.125 -8.676 -3.183 1.00 1.23 C ATOM 513 OD1 ASN A 33 12.279 -8.349 -4.015 1.00 1.72 O ATOM 514 ND2 ASN A 33 14.423 -8.627 -3.427 1.00 1.78 N ATOM 0 H ASN A 33 11.040 -6.486 -1.623 1.00 0.53 H new ATOM 0 HA ASN A 33 10.670 -8.595 -2.121 1.00 0.67 H new ATOM 0 HB2 ASN A 33 13.517 -8.928 -1.098 1.00 0.80 H new ATOM 0 HB3 ASN A 33 12.617 -10.245 -1.825 1.00 0.80 H new ATOM 0 HD21 ASN A 33 14.759 -8.308 -4.336 1.00 1.78 H new ATOM 0 HD22 ASN A 33 15.088 -8.908 -2.707 1.00 1.78 H new ATOM 521 N CYS A 34 10.247 -8.601 0.798 1.00 0.47 N ATOM 522 CA CYS A 34 9.701 -9.235 1.985 1.00 0.41 C ATOM 523 C CYS A 34 8.234 -9.594 1.760 1.00 0.41 C ATOM 524 O CYS A 34 7.546 -8.939 0.973 1.00 0.48 O ATOM 525 CB CYS A 34 9.860 -8.306 3.185 1.00 0.38 C ATOM 526 SG CYS A 34 9.660 -6.562 2.782 1.00 1.16 S ATOM 0 H CYS A 34 10.094 -7.594 0.746 1.00 0.47 H new ATOM 0 HA CYS A 34 10.247 -10.156 2.188 1.00 0.41 H new ATOM 0 HB2 CYS A 34 9.128 -8.580 3.945 1.00 0.38 H new ATOM 0 HB3 CYS A 34 10.847 -8.458 3.623 1.00 0.38 H new ATOM 0 HG CYS A 34 8.749 -6.430 1.864 1.00 1.16 H new ATOM 532 N LYS A 35 7.759 -10.636 2.434 1.00 0.39 N ATOM 533 CA LYS A 35 6.375 -11.067 2.269 1.00 0.42 C ATOM 534 C LYS A 35 5.412 -10.213 3.096 1.00 0.38 C ATOM 535 O LYS A 35 5.125 -10.502 4.257 1.00 0.40 O ATOM 536 CB LYS A 35 6.215 -12.559 2.601 1.00 0.47 C ATOM 537 CG LYS A 35 6.591 -12.939 4.029 1.00 0.48 C ATOM 538 CD LYS A 35 5.494 -13.754 4.691 1.00 1.13 C ATOM 539 CE LYS A 35 5.331 -15.111 4.028 1.00 1.64 C ATOM 540 NZ LYS A 35 4.016 -15.731 4.344 1.00 2.49 N ATOM 0 H LYS A 35 8.304 -11.192 3.092 1.00 0.39 H new ATOM 0 HA LYS A 35 6.116 -10.926 1.220 1.00 0.42 H new ATOM 0 HB2 LYS A 35 5.179 -12.847 2.424 1.00 0.47 H new ATOM 0 HB3 LYS A 35 6.829 -13.138 1.912 1.00 0.47 H new ATOM 0 HG2 LYS A 35 7.519 -13.511 4.023 1.00 0.48 H new ATOM 0 HG3 LYS A 35 6.777 -12.036 4.611 1.00 0.48 H new ATOM 0 HD2 LYS A 35 5.727 -13.890 5.747 1.00 1.13 H new ATOM 0 HD3 LYS A 35 4.552 -13.208 4.640 1.00 1.13 H new ATOM 0 HE2 LYS A 35 5.430 -15.001 2.948 1.00 1.64 H new ATOM 0 HE3 LYS A 35 6.132 -15.773 4.356 1.00 1.64 H new ATOM 0 HZ1 LYS A 35 4.152 -16.736 4.572 1.00 2.49 H new ATOM 0 HZ2 LYS A 35 3.590 -15.245 5.159 1.00 2.49 H new ATOM 0 HZ3 LYS A 35 3.385 -15.645 3.522 1.00 2.49 H new ATOM 554 N ILE A 36 4.945 -9.136 2.498 1.00 0.36 N ATOM 555 CA ILE A 36 3.997 -8.258 3.160 1.00 0.34 C ATOM 556 C ILE A 36 2.584 -8.780 2.955 1.00 0.33 C ATOM 557 O ILE A 36 2.147 -8.989 1.822 1.00 0.41 O ATOM 558 CB ILE A 36 4.077 -6.811 2.637 1.00 0.41 C ATOM 559 CG1 ILE A 36 5.533 -6.340 2.559 1.00 0.65 C ATOM 560 CG2 ILE A 36 3.263 -5.878 3.526 1.00 0.32 C ATOM 561 CD1 ILE A 36 6.263 -6.381 3.884 1.00 0.66 C ATOM 0 H ILE A 36 5.205 -8.846 1.555 1.00 0.36 H new ATOM 0 HA ILE A 36 4.253 -8.248 4.220 1.00 0.34 H new ATOM 0 HB ILE A 36 3.657 -6.788 1.631 1.00 0.41 H new ATOM 0 HG12 ILE A 36 6.068 -6.962 1.841 1.00 0.65 H new ATOM 0 HG13 ILE A 36 5.555 -5.320 2.175 1.00 0.65 H new ATOM 0 HG21 ILE A 36 3.330 -4.860 3.143 1.00 0.32 H new ATOM 0 HG22 ILE A 36 2.221 -6.196 3.530 1.00 0.32 H new ATOM 0 HG23 ILE A 36 3.655 -5.910 4.542 1.00 0.32 H new ATOM 0 HD11 ILE A 36 7.287 -6.033 3.746 1.00 0.66 H new ATOM 0 HD12 ILE A 36 5.754 -5.736 4.600 1.00 0.66 H new ATOM 0 HD13 ILE A 36 6.275 -7.404 4.261 1.00 0.66 H new ATOM 573 N VAL A 37 1.884 -9.012 4.047 1.00 0.29 N ATOM 574 CA VAL A 37 0.521 -9.507 3.970 1.00 0.29 C ATOM 575 C VAL A 37 -0.460 -8.362 4.122 1.00 0.30 C ATOM 576 O VAL A 37 -0.389 -7.598 5.082 1.00 0.37 O ATOM 577 CB VAL A 37 0.218 -10.560 5.053 1.00 0.29 C ATOM 578 CG1 VAL A 37 -1.070 -11.305 4.732 1.00 0.31 C ATOM 579 CG2 VAL A 37 1.380 -11.529 5.220 1.00 0.32 C ATOM 0 H VAL A 37 2.232 -8.867 4.995 1.00 0.29 H new ATOM 0 HA VAL A 37 0.413 -9.978 2.993 1.00 0.29 H new ATOM 0 HB VAL A 37 0.084 -10.038 6.001 1.00 0.29 H new ATOM 0 HG11 VAL A 37 -1.266 -12.044 5.509 1.00 0.31 H new ATOM 0 HG12 VAL A 37 -1.898 -10.598 4.687 1.00 0.31 H new ATOM 0 HG13 VAL A 37 -0.970 -11.808 3.770 1.00 0.31 H new ATOM 0 HG21 VAL A 37 1.136 -12.260 5.991 1.00 0.32 H new ATOM 0 HG22 VAL A 37 1.563 -12.044 4.277 1.00 0.32 H new ATOM 0 HG23 VAL A 37 2.274 -10.978 5.512 1.00 0.32 H new ATOM 589 N THR A 38 -1.350 -8.238 3.157 1.00 0.25 N ATOM 590 CA THR A 38 -2.362 -7.201 3.171 1.00 0.26 C ATOM 591 C THR A 38 -3.733 -7.803 3.472 1.00 0.24 C ATOM 592 O THR A 38 -4.317 -8.475 2.628 1.00 0.23 O ATOM 593 CB THR A 38 -2.421 -6.446 1.824 1.00 0.27 C ATOM 594 OG1 THR A 38 -1.108 -6.003 1.446 1.00 0.33 O ATOM 595 CG2 THR A 38 -3.355 -5.248 1.913 1.00 0.30 C ATOM 0 H THR A 38 -1.392 -8.852 2.343 1.00 0.25 H new ATOM 0 HA THR A 38 -2.091 -6.491 3.953 1.00 0.26 H new ATOM 0 HB THR A 38 -2.804 -7.133 1.069 1.00 0.27 H new ATOM 0 HG1 THR A 38 -1.184 -5.257 0.815 1.00 0.33 H new ATOM 0 HG21 THR A 38 -3.379 -4.733 0.952 1.00 0.30 H new ATOM 0 HG22 THR A 38 -4.359 -5.587 2.168 1.00 0.30 H new ATOM 0 HG23 THR A 38 -2.997 -4.564 2.682 1.00 0.30 H new ATOM 603 N GLU A 39 -4.229 -7.587 4.680 1.00 0.25 N ATOM 604 CA GLU A 39 -5.536 -8.102 5.061 1.00 0.25 C ATOM 605 C GLU A 39 -6.603 -7.042 4.827 1.00 0.24 C ATOM 606 O GLU A 39 -6.560 -5.969 5.434 1.00 0.28 O ATOM 607 CB GLU A 39 -5.563 -8.540 6.526 1.00 0.28 C ATOM 608 CG GLU A 39 -4.613 -9.676 6.855 1.00 0.38 C ATOM 609 CD GLU A 39 -4.778 -10.162 8.280 1.00 0.66 C ATOM 610 OE1 GLU A 39 -4.720 -9.328 9.208 1.00 1.24 O ATOM 611 OE2 GLU A 39 -4.979 -11.381 8.480 1.00 1.39 O ATOM 0 H GLU A 39 -3.750 -7.061 5.411 1.00 0.25 H new ATOM 0 HA GLU A 39 -5.741 -8.975 4.441 1.00 0.25 H new ATOM 0 HB2 GLU A 39 -5.318 -7.683 7.154 1.00 0.28 H new ATOM 0 HB3 GLU A 39 -6.578 -8.844 6.784 1.00 0.28 H new ATOM 0 HG2 GLU A 39 -4.787 -10.504 6.168 1.00 0.38 H new ATOM 0 HG3 GLU A 39 -3.586 -9.345 6.702 1.00 0.38 H new ATOM 618 N VAL A 40 -7.542 -7.344 3.943 1.00 0.20 N ATOM 619 CA VAL A 40 -8.616 -6.418 3.621 1.00 0.20 C ATOM 620 C VAL A 40 -9.957 -6.925 4.131 1.00 0.21 C ATOM 621 O VAL A 40 -10.365 -8.047 3.824 1.00 0.20 O ATOM 622 CB VAL A 40 -8.733 -6.193 2.102 1.00 0.20 C ATOM 623 CG1 VAL A 40 -9.848 -5.201 1.790 1.00 0.22 C ATOM 624 CG2 VAL A 40 -7.409 -5.727 1.522 1.00 0.22 C ATOM 0 H VAL A 40 -7.581 -8.227 3.434 1.00 0.20 H new ATOM 0 HA VAL A 40 -8.366 -5.477 4.112 1.00 0.20 H new ATOM 0 HB VAL A 40 -8.987 -7.144 1.633 1.00 0.20 H new ATOM 0 HG11 VAL A 40 -9.914 -5.056 0.712 1.00 0.22 H new ATOM 0 HG12 VAL A 40 -10.796 -5.590 2.163 1.00 0.22 H new ATOM 0 HG13 VAL A 40 -9.632 -4.248 2.272 1.00 0.22 H new ATOM 0 HG21 VAL A 40 -7.516 -5.575 0.448 1.00 0.22 H new ATOM 0 HG22 VAL A 40 -7.115 -4.790 1.994 1.00 0.22 H new ATOM 0 HG23 VAL A 40 -6.645 -6.482 1.707 1.00 0.22 H new ATOM 634 N VAL A 41 -10.622 -6.103 4.927 1.00 0.24 N ATOM 635 CA VAL A 41 -11.937 -6.426 5.455 1.00 0.27 C ATOM 636 C VAL A 41 -12.941 -5.416 4.911 1.00 0.29 C ATOM 637 O VAL A 41 -12.726 -4.211 5.023 1.00 0.31 O ATOM 638 CB VAL A 41 -11.966 -6.398 7.000 1.00 0.31 C ATOM 639 CG1 VAL A 41 -13.333 -6.815 7.522 1.00 0.70 C ATOM 640 CG2 VAL A 41 -10.880 -7.292 7.577 1.00 0.95 C ATOM 0 H VAL A 41 -10.266 -5.195 5.225 1.00 0.24 H new ATOM 0 HA VAL A 41 -12.192 -7.438 5.142 1.00 0.27 H new ATOM 0 HB VAL A 41 -11.774 -5.375 7.322 1.00 0.31 H new ATOM 0 HG11 VAL A 41 -13.330 -6.788 8.612 1.00 0.70 H new ATOM 0 HG12 VAL A 41 -14.091 -6.129 7.144 1.00 0.70 H new ATOM 0 HG13 VAL A 41 -13.558 -7.827 7.185 1.00 0.70 H new ATOM 0 HG21 VAL A 41 -10.920 -7.256 8.666 1.00 0.95 H new ATOM 0 HG22 VAL A 41 -11.036 -8.317 7.242 1.00 0.95 H new ATOM 0 HG23 VAL A 41 -9.904 -6.944 7.238 1.00 0.95 H new ATOM 650 N GLN A 42 -14.017 -5.901 4.307 1.00 0.31 N ATOM 651 CA GLN A 42 -15.019 -5.014 3.730 1.00 0.36 C ATOM 652 C GLN A 42 -16.130 -4.693 4.721 1.00 0.30 C ATOM 653 O GLN A 42 -16.815 -5.586 5.217 1.00 0.42 O ATOM 654 CB GLN A 42 -15.624 -5.628 2.464 1.00 0.53 C ATOM 655 CG GLN A 42 -16.766 -4.800 1.878 1.00 1.14 C ATOM 656 CD GLN A 42 -17.325 -5.387 0.596 1.00 1.35 C ATOM 657 OE1 GLN A 42 -17.271 -6.595 0.377 1.00 2.06 O ATOM 658 NE2 GLN A 42 -17.872 -4.532 -0.255 1.00 1.59 N ATOM 0 H GLN A 42 -14.218 -6.896 4.204 1.00 0.31 H new ATOM 0 HA GLN A 42 -14.511 -4.084 3.474 1.00 0.36 H new ATOM 0 HB2 GLN A 42 -14.842 -5.739 1.713 1.00 0.53 H new ATOM 0 HB3 GLN A 42 -15.990 -6.629 2.693 1.00 0.53 H new ATOM 0 HG2 GLN A 42 -17.566 -4.721 2.614 1.00 1.14 H new ATOM 0 HG3 GLN A 42 -16.411 -3.788 1.684 1.00 1.14 H new ATOM 0 HE21 GLN A 42 -17.896 -3.537 -0.033 1.00 1.59 H new ATOM 0 HE22 GLN A 42 -18.270 -4.869 -1.132 1.00 1.59 H new ATOM 667 N ASN A 43 -16.294 -3.414 5.003 1.00 0.30 N ATOM 668 CA ASN A 43 -17.339 -2.949 5.903 1.00 0.37 C ATOM 669 C ASN A 43 -18.138 -1.849 5.218 1.00 0.34 C ATOM 670 O ASN A 43 -17.969 -0.665 5.508 1.00 0.37 O ATOM 671 CB ASN A 43 -16.730 -2.432 7.211 1.00 0.53 C ATOM 672 CG ASN A 43 -17.785 -2.021 8.225 1.00 0.97 C ATOM 673 OD1 ASN A 43 -18.874 -2.596 8.276 1.00 1.44 O ATOM 674 ND2 ASN A 43 -17.471 -1.023 9.040 1.00 1.73 N ATOM 0 H ASN A 43 -15.712 -2.670 4.619 1.00 0.30 H new ATOM 0 HA ASN A 43 -18.002 -3.780 6.144 1.00 0.37 H new ATOM 0 HB2 ASN A 43 -16.098 -3.207 7.644 1.00 0.53 H new ATOM 0 HB3 ASN A 43 -16.087 -1.579 6.996 1.00 0.53 H new ATOM 0 HD21 ASN A 43 -18.142 -0.706 9.740 1.00 1.73 H new ATOM 0 HD22 ASN A 43 -16.559 -0.572 8.967 1.00 1.73 H new ATOM 681 N GLY A 44 -18.992 -2.245 4.281 1.00 0.35 N ATOM 682 CA GLY A 44 -19.794 -1.283 3.548 1.00 0.37 C ATOM 683 C GLY A 44 -18.958 -0.513 2.558 1.00 0.34 C ATOM 684 O GLY A 44 -18.719 -0.969 1.440 1.00 0.40 O ATOM 0 H GLY A 44 -19.144 -3.218 4.015 1.00 0.35 H new ATOM 0 HA2 GLY A 44 -20.597 -1.801 3.024 1.00 0.37 H new ATOM 0 HA3 GLY A 44 -20.264 -0.591 4.247 1.00 0.37 H new ATOM 688 N ASN A 45 -18.509 0.660 2.967 1.00 0.31 N ATOM 689 CA ASN A 45 -17.658 1.485 2.126 1.00 0.29 C ATOM 690 C ASN A 45 -16.342 1.739 2.842 1.00 0.28 C ATOM 691 O ASN A 45 -15.528 2.553 2.412 1.00 0.29 O ATOM 692 CB ASN A 45 -18.339 2.806 1.754 1.00 0.32 C ATOM 693 CG ASN A 45 -18.796 2.830 0.308 1.00 0.38 C ATOM 694 OD1 ASN A 45 -19.193 1.676 -0.205 1.00 0.41 O flip ATOM 695 ND2 ASN A 45 -18.791 3.876 -0.343 1.00 0.43 N flip ATOM 0 H ASN A 45 -18.720 1.064 3.879 1.00 0.31 H new ATOM 0 HA ASN A 45 -17.469 0.952 1.194 1.00 0.29 H new ATOM 0 HB2 ASN A 45 -19.197 2.966 2.407 1.00 0.32 H new ATOM 0 HB3 ASN A 45 -17.648 3.630 1.928 1.00 0.32 H new ATOM 0 HD21 ASN A 45 -18.477 4.745 0.090 1.00 0.43 H new ATOM 0 HD22 ASN A 45 -19.101 3.873 -1.315 1.00 0.43 H new ATOM 702 N ASP A 46 -16.158 1.030 3.949 1.00 0.30 N ATOM 703 CA ASP A 46 -14.952 1.137 4.749 1.00 0.29 C ATOM 704 C ASP A 46 -14.120 -0.126 4.578 1.00 0.28 C ATOM 705 O ASP A 46 -14.509 -1.202 5.030 1.00 0.36 O ATOM 706 CB ASP A 46 -15.331 1.339 6.222 1.00 0.33 C ATOM 707 CG ASP A 46 -14.131 1.475 7.142 1.00 0.61 C ATOM 708 OD1 ASP A 46 -13.338 2.419 6.955 1.00 1.29 O ATOM 709 OD2 ASP A 46 -13.997 0.651 8.074 1.00 1.36 O ATOM 0 H ASP A 46 -16.842 0.367 4.314 1.00 0.30 H new ATOM 0 HA ASP A 46 -14.363 1.993 4.420 1.00 0.29 H new ATOM 0 HB2 ASP A 46 -15.950 2.232 6.311 1.00 0.33 H new ATOM 0 HB3 ASP A 46 -15.938 0.496 6.552 1.00 0.33 H new ATOM 714 N PHE A 47 -13.000 -0.001 3.885 1.00 0.23 N ATOM 715 CA PHE A 47 -12.109 -1.124 3.672 1.00 0.23 C ATOM 716 C PHE A 47 -10.895 -0.979 4.568 1.00 0.23 C ATOM 717 O PHE A 47 -10.361 0.120 4.731 1.00 0.24 O ATOM 718 CB PHE A 47 -11.678 -1.205 2.204 1.00 0.25 C ATOM 719 CG PHE A 47 -12.814 -1.498 1.260 1.00 0.26 C ATOM 720 CD1 PHE A 47 -13.606 -0.474 0.768 1.00 0.81 C ATOM 721 CD2 PHE A 47 -13.087 -2.797 0.869 1.00 0.97 C ATOM 722 CE1 PHE A 47 -14.651 -0.740 -0.094 1.00 0.82 C ATOM 723 CE2 PHE A 47 -14.130 -3.069 0.004 1.00 1.00 C ATOM 724 CZ PHE A 47 -14.912 -2.040 -0.479 1.00 0.34 C ATOM 0 H PHE A 47 -12.687 0.872 3.460 1.00 0.23 H new ATOM 0 HA PHE A 47 -12.636 -2.045 3.920 1.00 0.23 H new ATOM 0 HB2 PHE A 47 -11.212 -0.262 1.918 1.00 0.25 H new ATOM 0 HB3 PHE A 47 -10.919 -1.980 2.099 1.00 0.25 H new ATOM 0 HD1 PHE A 47 -13.404 0.545 1.062 1.00 0.81 H new ATOM 0 HD2 PHE A 47 -12.479 -3.607 1.244 1.00 0.97 H new ATOM 0 HE1 PHE A 47 -15.264 0.068 -0.467 1.00 0.82 H new ATOM 0 HE2 PHE A 47 -14.333 -4.087 -0.294 1.00 1.00 H new ATOM 0 HZ PHE A 47 -15.726 -2.251 -1.156 1.00 0.34 H new ATOM 734 N THR A 48 -10.472 -2.069 5.171 1.00 0.26 N ATOM 735 CA THR A 48 -9.319 -2.034 6.044 1.00 0.27 C ATOM 736 C THR A 48 -8.079 -2.522 5.310 1.00 0.28 C ATOM 737 O THR A 48 -8.138 -3.474 4.531 1.00 0.38 O ATOM 738 CB THR A 48 -9.543 -2.894 7.299 1.00 0.29 C ATOM 739 OG1 THR A 48 -9.827 -4.243 6.917 1.00 0.53 O ATOM 740 CG2 THR A 48 -10.699 -2.353 8.130 1.00 0.56 C ATOM 0 H THR A 48 -10.907 -2.986 5.074 1.00 0.26 H new ATOM 0 HA THR A 48 -9.173 -0.999 6.353 1.00 0.27 H new ATOM 0 HB THR A 48 -8.635 -2.862 7.900 1.00 0.29 H new ATOM 0 HG1 THR A 48 -9.654 -4.841 7.674 1.00 0.53 H new ATOM 0 HG21 THR A 48 -10.837 -2.979 9.012 1.00 0.56 H new ATOM 0 HG22 THR A 48 -10.477 -1.332 8.440 1.00 0.56 H new ATOM 0 HG23 THR A 48 -11.611 -2.361 7.533 1.00 0.56 H new ATOM 748 N TRP A 49 -6.966 -1.848 5.543 1.00 0.23 N ATOM 749 CA TRP A 49 -5.710 -2.216 4.923 1.00 0.23 C ATOM 750 C TRP A 49 -4.706 -2.589 5.996 1.00 0.23 C ATOM 751 O TRP A 49 -4.152 -1.726 6.677 1.00 0.24 O ATOM 752 CB TRP A 49 -5.173 -1.068 4.072 1.00 0.25 C ATOM 753 CG TRP A 49 -4.754 -1.489 2.701 1.00 0.28 C ATOM 754 CD1 TRP A 49 -3.478 -1.558 2.224 1.00 0.34 C ATOM 755 CD2 TRP A 49 -5.608 -1.901 1.626 1.00 0.30 C ATOM 756 NE1 TRP A 49 -3.486 -1.988 0.919 1.00 0.38 N ATOM 757 CE2 TRP A 49 -4.780 -2.204 0.529 1.00 0.36 C ATOM 758 CE3 TRP A 49 -6.993 -2.042 1.483 1.00 0.32 C ATOM 759 CZ2 TRP A 49 -5.289 -2.638 -0.692 1.00 0.41 C ATOM 760 CZ3 TRP A 49 -7.496 -2.470 0.269 1.00 0.38 C ATOM 761 CH2 TRP A 49 -6.647 -2.765 -0.803 1.00 0.42 C ATOM 0 H TRP A 49 -6.909 -1.039 6.161 1.00 0.23 H new ATOM 0 HA TRP A 49 -5.876 -3.073 4.271 1.00 0.23 H new ATOM 0 HB2 TRP A 49 -5.940 -0.298 3.989 1.00 0.25 H new ATOM 0 HB3 TRP A 49 -4.322 -0.616 4.581 1.00 0.25 H new ATOM 0 HD1 TRP A 49 -2.591 -1.311 2.789 1.00 0.34 H new ATOM 0 HE1 TRP A 49 -2.661 -2.124 0.335 1.00 0.38 H new ATOM 0 HE3 TRP A 49 -7.656 -1.820 2.306 1.00 0.32 H new ATOM 0 HZ2 TRP A 49 -4.636 -2.866 -1.521 1.00 0.41 H new ATOM 0 HZ3 TRP A 49 -8.563 -2.579 0.146 1.00 0.38 H new ATOM 0 HH2 TRP A 49 -7.072 -3.100 -1.738 1.00 0.42 H new ATOM 772 N THR A 50 -4.497 -3.878 6.171 1.00 0.22 N ATOM 773 CA THR A 50 -3.559 -4.359 7.163 1.00 0.24 C ATOM 774 C THR A 50 -2.262 -4.773 6.500 1.00 0.25 C ATOM 775 O THR A 50 -2.276 -5.574 5.571 1.00 0.35 O ATOM 776 CB THR A 50 -4.121 -5.570 7.918 1.00 0.26 C ATOM 777 OG1 THR A 50 -5.543 -5.448 8.075 1.00 0.27 O ATOM 778 CG2 THR A 50 -3.468 -5.702 9.278 1.00 0.28 C ATOM 0 H THR A 50 -4.965 -4.611 5.638 1.00 0.22 H new ATOM 0 HA THR A 50 -3.383 -3.545 7.866 1.00 0.24 H new ATOM 0 HB THR A 50 -3.902 -6.464 7.333 1.00 0.26 H new ATOM 0 HG1 THR A 50 -5.983 -5.625 7.218 1.00 0.27 H new ATOM 0 HG21 THR A 50 -3.881 -6.567 9.797 1.00 0.28 H new ATOM 0 HG22 THR A 50 -2.393 -5.832 9.154 1.00 0.28 H new ATOM 0 HG23 THR A 50 -3.660 -4.802 9.863 1.00 0.28 H new ATOM 786 N GLN A 51 -1.155 -4.201 6.944 1.00 0.22 N ATOM 787 CA GLN A 51 0.154 -4.549 6.412 1.00 0.23 C ATOM 788 C GLN A 51 0.941 -5.307 7.466 1.00 0.22 C ATOM 789 O GLN A 51 1.266 -4.760 8.517 1.00 0.24 O ATOM 790 CB GLN A 51 0.939 -3.295 6.003 1.00 0.27 C ATOM 791 CG GLN A 51 0.276 -2.487 4.903 1.00 0.56 C ATOM 792 CD GLN A 51 0.333 -3.183 3.556 1.00 0.71 C ATOM 793 OE1 GLN A 51 1.223 -2.932 2.740 1.00 1.62 O ATOM 794 NE2 GLN A 51 -0.620 -4.064 3.321 1.00 0.82 N ATOM 0 H GLN A 51 -1.136 -3.490 7.675 1.00 0.22 H new ATOM 0 HA GLN A 51 0.009 -5.170 5.528 1.00 0.23 H new ATOM 0 HB2 GLN A 51 1.071 -2.659 6.878 1.00 0.27 H new ATOM 0 HB3 GLN A 51 1.934 -3.593 5.672 1.00 0.27 H new ATOM 0 HG2 GLN A 51 -0.765 -2.302 5.169 1.00 0.56 H new ATOM 0 HG3 GLN A 51 0.763 -1.515 4.827 1.00 0.56 H new ATOM 0 HE21 GLN A 51 -1.337 -4.240 4.025 1.00 0.82 H new ATOM 0 HE22 GLN A 51 -0.640 -4.569 2.435 1.00 0.82 H new ATOM 803 N HIS A 52 1.266 -6.552 7.172 1.00 0.22 N ATOM 804 CA HIS A 52 2.009 -7.378 8.104 1.00 0.23 C ATOM 805 C HIS A 52 3.443 -7.546 7.665 1.00 0.23 C ATOM 806 O HIS A 52 3.719 -7.950 6.536 1.00 0.26 O ATOM 807 CB HIS A 52 1.355 -8.751 8.256 1.00 0.24 C ATOM 808 CG HIS A 52 0.035 -8.723 8.963 1.00 0.26 C ATOM 809 ND1 HIS A 52 -0.051 -8.752 10.336 1.00 0.34 N ATOM 810 CD2 HIS A 52 -1.218 -8.689 8.446 1.00 0.32 C ATOM 811 CE1 HIS A 52 -1.343 -8.738 10.618 1.00 0.37 C ATOM 812 NE2 HIS A 52 -2.087 -8.700 9.505 1.00 0.35 N ATOM 0 H HIS A 52 1.027 -7.013 6.294 1.00 0.22 H new ATOM 0 HA HIS A 52 1.997 -6.869 9.068 1.00 0.23 H new ATOM 0 HB2 HIS A 52 1.216 -9.187 7.267 1.00 0.24 H new ATOM 0 HB3 HIS A 52 2.034 -9.407 8.801 1.00 0.24 H new ATOM 0 HD2 HIS A 52 -1.481 -8.659 7.399 1.00 0.32 H new ATOM 0 HE1 HIS A 52 -1.747 -8.755 11.619 1.00 0.37 H new ATOM 0 HE2 HIS A 52 -3.106 -8.683 9.455 1.00 0.35 H new ATOM 820 N PHE A 53 4.346 -7.218 8.565 1.00 0.25 N ATOM 821 CA PHE A 53 5.756 -7.344 8.299 1.00 0.27 C ATOM 822 C PHE A 53 6.288 -8.594 8.983 1.00 0.31 C ATOM 823 O PHE A 53 6.147 -8.740 10.197 1.00 0.34 O ATOM 824 CB PHE A 53 6.498 -6.110 8.805 1.00 0.24 C ATOM 825 CG PHE A 53 7.797 -5.869 8.105 1.00 0.26 C ATOM 826 CD1 PHE A 53 7.890 -6.027 6.739 1.00 1.13 C ATOM 827 CD2 PHE A 53 8.919 -5.485 8.811 1.00 1.20 C ATOM 828 CE1 PHE A 53 9.086 -5.808 6.082 1.00 1.13 C ATOM 829 CE2 PHE A 53 10.118 -5.264 8.164 1.00 1.23 C ATOM 830 CZ PHE A 53 10.201 -5.426 6.796 1.00 0.34 C ATOM 0 H PHE A 53 4.122 -6.860 9.493 1.00 0.25 H new ATOM 0 HA PHE A 53 5.915 -7.427 7.224 1.00 0.27 H new ATOM 0 HB2 PHE A 53 5.860 -5.235 8.681 1.00 0.24 H new ATOM 0 HB3 PHE A 53 6.684 -6.220 9.873 1.00 0.24 H new ATOM 0 HD1 PHE A 53 7.018 -6.325 6.176 1.00 1.13 H new ATOM 0 HD2 PHE A 53 8.858 -5.356 9.882 1.00 1.20 H new ATOM 0 HE1 PHE A 53 9.147 -5.936 5.011 1.00 1.13 H new ATOM 0 HE2 PHE A 53 10.990 -4.965 8.727 1.00 1.23 H new ATOM 0 HZ PHE A 53 11.137 -5.254 6.286 1.00 0.34 H new ATOM 840 N PRO A 54 6.890 -9.517 8.216 1.00 0.35 N ATOM 841 CA PRO A 54 7.431 -10.761 8.769 1.00 0.41 C ATOM 842 C PRO A 54 8.606 -10.484 9.699 1.00 0.39 C ATOM 843 O PRO A 54 9.659 -10.012 9.263 1.00 0.37 O ATOM 844 CB PRO A 54 7.891 -11.530 7.524 1.00 0.46 C ATOM 845 CG PRO A 54 8.122 -10.486 6.491 1.00 0.45 C ATOM 846 CD PRO A 54 7.113 -9.408 6.763 1.00 0.39 C ATOM 0 HA PRO A 54 6.704 -11.309 9.368 1.00 0.41 H new ATOM 0 HB2 PRO A 54 8.801 -12.096 7.723 1.00 0.46 H new ATOM 0 HB3 PRO A 54 7.135 -12.245 7.200 1.00 0.46 H new ATOM 0 HG2 PRO A 54 9.138 -10.095 6.551 1.00 0.45 H new ATOM 0 HG3 PRO A 54 7.997 -10.894 5.488 1.00 0.45 H new ATOM 0 HD2 PRO A 54 7.490 -8.424 6.486 1.00 0.39 H new ATOM 0 HD3 PRO A 54 6.193 -9.566 6.201 1.00 0.39 H new ATOM 854 N GLY A 55 8.427 -10.782 10.977 1.00 0.43 N ATOM 855 CA GLY A 55 9.477 -10.544 11.942 1.00 0.46 C ATOM 856 C GLY A 55 9.668 -9.064 12.225 1.00 0.41 C ATOM 857 O GLY A 55 10.765 -8.635 12.571 1.00 0.43 O ATOM 0 H GLY A 55 7.573 -11.185 11.362 1.00 0.43 H new ATOM 0 HA2 GLY A 55 9.239 -11.063 12.871 1.00 0.46 H new ATOM 0 HA3 GLY A 55 10.412 -10.965 11.572 1.00 0.46 H new ATOM 861 N GLY A 56 8.606 -8.283 12.053 1.00 0.37 N ATOM 862 CA GLY A 56 8.694 -6.858 12.298 1.00 0.34 C ATOM 863 C GLY A 56 7.404 -6.266 12.825 1.00 0.35 C ATOM 864 O GLY A 56 6.512 -6.989 13.280 1.00 0.41 O ATOM 0 H GLY A 56 7.689 -8.612 11.749 1.00 0.37 H new ATOM 0 HA2 GLY A 56 9.494 -6.667 13.014 1.00 0.34 H new ATOM 0 HA3 GLY A 56 8.967 -6.352 11.372 1.00 0.34 H new ATOM 868 N ARG A 57 7.316 -4.944 12.780 1.00 0.34 N ATOM 869 CA ARG A 57 6.142 -4.223 13.256 1.00 0.38 C ATOM 870 C ARG A 57 5.016 -4.269 12.233 1.00 0.31 C ATOM 871 O ARG A 57 5.257 -4.277 11.023 1.00 0.28 O ATOM 872 CB ARG A 57 6.511 -2.770 13.593 1.00 0.45 C ATOM 873 CG ARG A 57 6.949 -1.930 12.400 1.00 0.43 C ATOM 874 CD ARG A 57 5.816 -1.055 11.886 1.00 0.53 C ATOM 875 NE ARG A 57 5.348 -0.110 12.900 1.00 1.58 N ATOM 876 CZ ARG A 57 4.305 0.705 12.740 1.00 2.33 C ATOM 877 NH1 ARG A 57 3.595 0.687 11.619 1.00 2.27 N ATOM 878 NH2 ARG A 57 3.953 1.537 13.712 1.00 3.34 N ATOM 0 H ARG A 57 8.053 -4.342 12.414 1.00 0.34 H new ATOM 0 HA ARG A 57 5.786 -4.712 14.163 1.00 0.38 H new ATOM 0 HB2 ARG A 57 5.651 -2.291 14.061 1.00 0.45 H new ATOM 0 HB3 ARG A 57 7.314 -2.775 14.330 1.00 0.45 H new ATOM 0 HG2 ARG A 57 7.793 -1.303 12.686 1.00 0.43 H new ATOM 0 HG3 ARG A 57 7.295 -2.585 11.600 1.00 0.43 H new ATOM 0 HD2 ARG A 57 6.153 -0.506 11.007 1.00 0.53 H new ATOM 0 HD3 ARG A 57 4.986 -1.686 11.569 1.00 0.53 H new ATOM 0 HE ARG A 57 5.852 -0.072 13.786 1.00 1.58 H new ATOM 0 HH11 ARG A 57 3.845 0.044 10.867 1.00 2.27 H new ATOM 0 HH12 ARG A 57 2.799 1.316 11.509 1.00 2.27 H new ATOM 0 HH21 ARG A 57 4.481 1.554 14.585 1.00 3.34 H new ATOM 0 HH22 ARG A 57 3.155 2.159 13.586 1.00 3.34 H new ATOM 892 N THR A 58 3.789 -4.295 12.717 1.00 0.36 N ATOM 893 CA THR A 58 2.634 -4.342 11.845 1.00 0.31 C ATOM 894 C THR A 58 2.037 -2.947 11.664 1.00 0.28 C ATOM 895 O THR A 58 2.253 -2.057 12.489 1.00 0.33 O ATOM 896 CB THR A 58 1.561 -5.322 12.376 1.00 0.35 C ATOM 897 OG1 THR A 58 0.578 -5.580 11.365 1.00 0.34 O ATOM 898 CG2 THR A 58 0.869 -4.781 13.621 1.00 0.39 C ATOM 0 H THR A 58 3.567 -4.284 13.713 1.00 0.36 H new ATOM 0 HA THR A 58 2.970 -4.708 10.875 1.00 0.31 H new ATOM 0 HB THR A 58 2.072 -6.248 12.641 1.00 0.35 H new ATOM 0 HG1 THR A 58 0.943 -5.346 10.486 1.00 0.34 H new ATOM 0 HG21 THR A 58 0.123 -5.498 13.963 1.00 0.39 H new ATOM 0 HG22 THR A 58 1.607 -4.622 14.407 1.00 0.39 H new ATOM 0 HG23 THR A 58 0.382 -3.835 13.384 1.00 0.39 H new ATOM 906 N THR A 59 1.316 -2.756 10.571 1.00 0.25 N ATOM 907 CA THR A 59 0.693 -1.476 10.272 1.00 0.27 C ATOM 908 C THR A 59 -0.730 -1.681 9.771 1.00 0.24 C ATOM 909 O THR A 59 -0.937 -2.249 8.702 1.00 0.36 O ATOM 910 CB THR A 59 1.514 -0.718 9.210 1.00 0.32 C ATOM 911 OG1 THR A 59 2.908 -1.011 9.379 1.00 0.49 O ATOM 912 CG2 THR A 59 1.308 0.783 9.308 1.00 0.48 C ATOM 0 H THR A 59 1.147 -3.478 9.870 1.00 0.25 H new ATOM 0 HA THR A 59 0.663 -0.886 11.188 1.00 0.27 H new ATOM 0 HB THR A 59 1.172 -1.048 8.229 1.00 0.32 H new ATOM 0 HG1 THR A 59 3.181 -1.691 8.728 1.00 0.49 H new ATOM 0 HG21 THR A 59 1.903 1.283 8.543 1.00 0.48 H new ATOM 0 HG22 THR A 59 0.254 1.016 9.158 1.00 0.48 H new ATOM 0 HG23 THR A 59 1.619 1.129 10.294 1.00 0.48 H new ATOM 920 N THR A 60 -1.711 -1.229 10.536 1.00 0.26 N ATOM 921 CA THR A 60 -3.103 -1.393 10.149 1.00 0.23 C ATOM 922 C THR A 60 -3.827 -0.051 10.045 1.00 0.22 C ATOM 923 O THR A 60 -3.803 0.750 10.981 1.00 0.26 O ATOM 924 CB THR A 60 -3.853 -2.285 11.155 1.00 0.25 C ATOM 925 OG1 THR A 60 -3.031 -3.396 11.545 1.00 0.31 O ATOM 926 CG2 THR A 60 -5.152 -2.794 10.549 1.00 0.24 C ATOM 0 H THR A 60 -1.570 -0.748 11.424 1.00 0.26 H new ATOM 0 HA THR A 60 -3.099 -1.867 9.168 1.00 0.23 H new ATOM 0 HB THR A 60 -4.085 -1.687 12.037 1.00 0.25 H new ATOM 0 HG1 THR A 60 -3.518 -3.954 12.186 1.00 0.31 H new ATOM 0 HG21 THR A 60 -5.670 -3.423 11.273 1.00 0.24 H new ATOM 0 HG22 THR A 60 -5.786 -1.948 10.284 1.00 0.24 H new ATOM 0 HG23 THR A 60 -4.932 -3.377 9.654 1.00 0.24 H new ATOM 934 N ASN A 61 -4.465 0.192 8.902 1.00 0.25 N ATOM 935 CA ASN A 61 -5.204 1.430 8.686 1.00 0.26 C ATOM 936 C ASN A 61 -6.516 1.151 7.983 1.00 0.29 C ATOM 937 O ASN A 61 -6.561 0.441 6.982 1.00 0.51 O ATOM 938 CB ASN A 61 -4.386 2.436 7.863 1.00 0.36 C ATOM 939 CG ASN A 61 -3.053 2.772 8.500 1.00 0.87 C ATOM 940 OD1 ASN A 61 -3.071 3.693 9.444 1.00 1.43 O flip ATOM 941 ND2 ASN A 61 -2.019 2.216 8.142 1.00 1.72 N flip ATOM 0 H ASN A 61 -4.484 -0.453 8.112 1.00 0.25 H new ATOM 0 HA ASN A 61 -5.403 1.865 9.665 1.00 0.26 H new ATOM 0 HB2 ASN A 61 -4.215 2.029 6.867 1.00 0.36 H new ATOM 0 HB3 ASN A 61 -4.964 3.351 7.738 1.00 0.36 H new ATOM 0 HD21 ASN A 61 -2.048 1.508 7.408 1.00 1.72 H new ATOM 0 HD22 ASN A 61 -1.130 2.461 8.579 1.00 1.72 H new ATOM 948 N SER A 62 -7.583 1.695 8.529 1.00 0.21 N ATOM 949 CA SER A 62 -8.899 1.531 7.963 1.00 0.25 C ATOM 950 C SER A 62 -9.316 2.819 7.276 1.00 0.23 C ATOM 951 O SER A 62 -9.105 3.904 7.817 1.00 0.29 O ATOM 952 CB SER A 62 -9.873 1.165 9.073 1.00 0.34 C ATOM 953 OG SER A 62 -9.860 2.134 10.111 1.00 1.04 O ATOM 0 H SER A 62 -7.559 2.262 9.377 1.00 0.21 H new ATOM 0 HA SER A 62 -8.897 0.732 7.222 1.00 0.25 H new ATOM 0 HB2 SER A 62 -10.880 1.081 8.663 1.00 0.34 H new ATOM 0 HB3 SER A 62 -9.613 0.188 9.481 1.00 0.34 H new ATOM 0 HG SER A 62 -10.496 1.874 10.809 1.00 1.04 H new ATOM 959 N PHE A 63 -9.898 2.714 6.093 1.00 0.18 N ATOM 960 CA PHE A 63 -10.298 3.898 5.359 1.00 0.17 C ATOM 961 C PHE A 63 -11.682 3.746 4.753 1.00 0.18 C ATOM 962 O PHE A 63 -12.035 2.697 4.213 1.00 0.24 O ATOM 963 CB PHE A 63 -9.274 4.217 4.260 1.00 0.17 C ATOM 964 CG PHE A 63 -9.111 3.119 3.250 1.00 0.18 C ATOM 965 CD1 PHE A 63 -8.203 2.095 3.463 1.00 0.88 C ATOM 966 CD2 PHE A 63 -9.870 3.107 2.091 1.00 0.86 C ATOM 967 CE1 PHE A 63 -8.060 1.078 2.541 1.00 0.88 C ATOM 968 CE2 PHE A 63 -9.730 2.095 1.167 1.00 0.88 C ATOM 969 CZ PHE A 63 -8.824 1.077 1.392 1.00 0.23 C ATOM 0 H PHE A 63 -10.101 1.830 5.626 1.00 0.18 H new ATOM 0 HA PHE A 63 -10.335 4.725 6.068 1.00 0.17 H new ATOM 0 HB2 PHE A 63 -9.578 5.129 3.746 1.00 0.17 H new ATOM 0 HB3 PHE A 63 -8.308 4.419 4.723 1.00 0.17 H new ATOM 0 HD1 PHE A 63 -7.601 2.092 4.360 1.00 0.88 H new ATOM 0 HD2 PHE A 63 -10.580 3.901 1.910 1.00 0.86 H new ATOM 0 HE1 PHE A 63 -7.350 0.283 2.719 1.00 0.88 H new ATOM 0 HE2 PHE A 63 -10.328 2.098 0.268 1.00 0.88 H new ATOM 0 HZ PHE A 63 -8.714 0.282 0.670 1.00 0.23 H new ATOM 979 N THR A 64 -12.462 4.801 4.845 1.00 0.17 N ATOM 980 CA THR A 64 -13.793 4.808 4.289 1.00 0.19 C ATOM 981 C THR A 64 -13.811 5.641 3.016 1.00 0.18 C ATOM 982 O THR A 64 -13.238 6.730 2.974 1.00 0.19 O ATOM 983 CB THR A 64 -14.807 5.364 5.305 1.00 0.21 C ATOM 984 OG1 THR A 64 -14.859 4.518 6.461 1.00 0.25 O ATOM 985 CG2 THR A 64 -16.192 5.481 4.697 1.00 0.22 C ATOM 0 H THR A 64 -12.192 5.671 5.304 1.00 0.17 H new ATOM 0 HA THR A 64 -14.079 3.783 4.052 1.00 0.19 H new ATOM 0 HB THR A 64 -14.476 6.361 5.595 1.00 0.21 H new ATOM 0 HG1 THR A 64 -14.019 4.019 6.539 1.00 0.25 H new ATOM 0 HG21 THR A 64 -16.884 5.877 5.441 1.00 0.22 H new ATOM 0 HG22 THR A 64 -16.157 6.153 3.840 1.00 0.22 H new ATOM 0 HG23 THR A 64 -16.531 4.497 4.373 1.00 0.22 H new ATOM 993 N ILE A 65 -14.412 5.103 1.967 1.00 0.18 N ATOM 994 CA ILE A 65 -14.508 5.807 0.698 1.00 0.18 C ATOM 995 C ILE A 65 -15.250 7.135 0.871 1.00 0.21 C ATOM 996 O ILE A 65 -16.356 7.168 1.410 1.00 0.24 O ATOM 997 CB ILE A 65 -15.224 4.944 -0.357 1.00 0.20 C ATOM 998 CG1 ILE A 65 -14.541 3.577 -0.492 1.00 0.21 C ATOM 999 CG2 ILE A 65 -15.264 5.667 -1.695 1.00 0.22 C ATOM 1000 CD1 ILE A 65 -13.083 3.656 -0.893 1.00 0.19 C ATOM 0 H ILE A 65 -14.842 4.178 1.969 1.00 0.18 H new ATOM 0 HA ILE A 65 -13.494 6.010 0.353 1.00 0.18 H new ATOM 0 HB ILE A 65 -16.250 4.776 -0.029 1.00 0.20 H new ATOM 0 HG12 ILE A 65 -14.618 3.048 0.458 1.00 0.21 H new ATOM 0 HG13 ILE A 65 -15.079 2.984 -1.232 1.00 0.21 H new ATOM 0 HG21 ILE A 65 -15.773 5.044 -2.430 1.00 0.22 H new ATOM 0 HG22 ILE A 65 -15.801 6.609 -1.584 1.00 0.22 H new ATOM 0 HG23 ILE A 65 -14.247 5.867 -2.031 1.00 0.22 H new ATOM 0 HD11 ILE A 65 -12.671 2.650 -0.968 1.00 0.19 H new ATOM 0 HD12 ILE A 65 -12.998 4.155 -1.858 1.00 0.19 H new ATOM 0 HD13 ILE A 65 -12.529 4.220 -0.142 1.00 0.19 H new ATOM 1012 N ASP A 66 -14.602 8.220 0.425 1.00 0.20 N ATOM 1013 CA ASP A 66 -15.138 9.583 0.512 1.00 0.23 C ATOM 1014 C ASP A 66 -15.016 10.077 1.948 1.00 0.23 C ATOM 1015 O ASP A 66 -15.751 10.957 2.398 1.00 0.26 O ATOM 1016 CB ASP A 66 -16.593 9.654 0.020 1.00 0.27 C ATOM 1017 CG ASP A 66 -17.080 11.075 -0.209 1.00 0.35 C ATOM 1018 OD1 ASP A 66 -16.480 11.792 -1.041 1.00 1.04 O ATOM 1019 OD2 ASP A 66 -18.080 11.472 0.422 1.00 1.10 O ATOM 0 H ASP A 66 -13.681 8.174 -0.011 1.00 0.20 H new ATOM 0 HA ASP A 66 -14.556 10.232 -0.142 1.00 0.23 H new ATOM 0 HB2 ASP A 66 -16.683 9.092 -0.910 1.00 0.27 H new ATOM 0 HB3 ASP A 66 -17.240 9.168 0.750 1.00 0.27 H new ATOM 1024 N LYS A 67 -14.058 9.499 2.660 1.00 0.21 N ATOM 1025 CA LYS A 67 -13.813 9.839 4.049 1.00 0.22 C ATOM 1026 C LYS A 67 -12.313 9.949 4.324 1.00 0.21 C ATOM 1027 O LYS A 67 -11.501 9.291 3.669 1.00 0.23 O ATOM 1028 CB LYS A 67 -14.437 8.773 4.951 1.00 0.23 C ATOM 1029 CG LYS A 67 -14.028 8.865 6.412 1.00 0.25 C ATOM 1030 CD LYS A 67 -14.761 9.981 7.138 1.00 0.35 C ATOM 1031 CE LYS A 67 -16.268 9.824 7.021 1.00 1.15 C ATOM 1032 NZ LYS A 67 -16.990 10.541 8.102 1.00 1.59 N ATOM 0 H LYS A 67 -13.432 8.784 2.289 1.00 0.21 H new ATOM 0 HA LYS A 67 -14.268 10.807 4.260 1.00 0.22 H new ATOM 0 HB2 LYS A 67 -15.522 8.850 4.885 1.00 0.23 H new ATOM 0 HB3 LYS A 67 -14.163 7.789 4.572 1.00 0.23 H new ATOM 0 HG2 LYS A 67 -14.232 7.915 6.906 1.00 0.25 H new ATOM 0 HG3 LYS A 67 -12.953 9.034 6.478 1.00 0.25 H new ATOM 0 HD2 LYS A 67 -14.475 9.982 8.190 1.00 0.35 H new ATOM 0 HD3 LYS A 67 -14.461 10.944 6.725 1.00 0.35 H new ATOM 0 HE2 LYS A 67 -16.597 10.202 6.053 1.00 1.15 H new ATOM 0 HE3 LYS A 67 -16.525 8.765 7.054 1.00 1.15 H new ATOM 0 HZ1 LYS A 67 -18.014 10.407 7.983 1.00 1.59 H new ATOM 0 HZ2 LYS A 67 -16.696 10.164 9.025 1.00 1.59 H new ATOM 0 HZ3 LYS A 67 -16.766 11.556 8.056 1.00 1.59 H new ATOM 1046 N GLU A 68 -11.963 10.811 5.270 1.00 0.24 N ATOM 1047 CA GLU A 68 -10.582 10.995 5.683 1.00 0.26 C ATOM 1048 C GLU A 68 -10.226 9.920 6.708 1.00 0.23 C ATOM 1049 O GLU A 68 -10.930 9.743 7.704 1.00 0.34 O ATOM 1050 CB GLU A 68 -10.402 12.395 6.276 1.00 0.34 C ATOM 1051 CG GLU A 68 -9.074 12.604 6.983 1.00 1.35 C ATOM 1052 CD GLU A 68 -9.024 13.916 7.736 1.00 1.92 C ATOM 1053 OE1 GLU A 68 -9.925 14.166 8.563 1.00 2.55 O ATOM 1054 OE2 GLU A 68 -8.093 14.708 7.500 1.00 2.51 O ATOM 0 H GLU A 68 -12.629 11.400 5.770 1.00 0.24 H new ATOM 0 HA GLU A 68 -9.917 10.902 4.824 1.00 0.26 H new ATOM 0 HB2 GLU A 68 -10.496 13.131 5.477 1.00 0.34 H new ATOM 0 HB3 GLU A 68 -11.211 12.586 6.981 1.00 0.34 H new ATOM 0 HG2 GLU A 68 -8.902 11.782 7.678 1.00 1.35 H new ATOM 0 HG3 GLU A 68 -8.267 12.577 6.251 1.00 1.35 H new ATOM 1061 N ALA A 69 -9.148 9.197 6.457 1.00 0.20 N ATOM 1062 CA ALA A 69 -8.736 8.120 7.351 1.00 0.18 C ATOM 1063 C ALA A 69 -7.314 8.300 7.861 1.00 0.21 C ATOM 1064 O ALA A 69 -6.425 8.708 7.113 1.00 0.31 O ATOM 1065 CB ALA A 69 -8.861 6.786 6.639 1.00 0.18 C ATOM 0 H ALA A 69 -8.543 9.332 5.647 1.00 0.20 H new ATOM 0 HA ALA A 69 -9.397 8.146 8.217 1.00 0.18 H new ATOM 0 HB1 ALA A 69 -8.552 5.985 7.310 1.00 0.18 H new ATOM 0 HB2 ALA A 69 -9.897 6.629 6.339 1.00 0.18 H new ATOM 0 HB3 ALA A 69 -8.223 6.784 5.755 1.00 0.18 H new ATOM 1071 N ASP A 70 -7.107 7.975 9.134 1.00 0.20 N ATOM 1072 CA ASP A 70 -5.795 8.083 9.760 1.00 0.24 C ATOM 1073 C ASP A 70 -4.903 6.963 9.253 1.00 0.22 C ATOM 1074 O ASP A 70 -5.173 5.782 9.485 1.00 0.25 O ATOM 1075 CB ASP A 70 -5.914 7.995 11.282 1.00 0.31 C ATOM 1076 CG ASP A 70 -6.379 9.291 11.912 1.00 1.14 C ATOM 1077 OD1 ASP A 70 -7.572 9.633 11.774 1.00 1.95 O ATOM 1078 OD2 ASP A 70 -5.559 9.973 12.561 1.00 1.87 O ATOM 0 H ASP A 70 -7.839 7.632 9.756 1.00 0.20 H new ATOM 0 HA ASP A 70 -5.361 9.049 9.502 1.00 0.24 H new ATOM 0 HB2 ASP A 70 -6.613 7.199 11.541 1.00 0.31 H new ATOM 0 HB3 ASP A 70 -4.947 7.719 11.702 1.00 0.31 H new ATOM 1083 N MET A 71 -3.850 7.326 8.547 1.00 0.20 N ATOM 1084 CA MET A 71 -2.940 6.337 7.988 1.00 0.20 C ATOM 1085 C MET A 71 -1.532 6.417 8.584 1.00 0.22 C ATOM 1086 O MET A 71 -1.142 7.420 9.179 1.00 0.26 O ATOM 1087 CB MET A 71 -2.874 6.512 6.483 1.00 0.22 C ATOM 1088 CG MET A 71 -4.237 6.475 5.834 1.00 0.19 C ATOM 1089 SD MET A 71 -4.357 7.560 4.411 1.00 0.20 S ATOM 1090 CE MET A 71 -6.111 7.454 4.104 1.00 0.20 C ATOM 0 H MET A 71 -3.601 8.294 8.346 1.00 0.20 H new ATOM 0 HA MET A 71 -3.333 5.353 8.243 1.00 0.20 H new ATOM 0 HB2 MET A 71 -2.391 7.462 6.252 1.00 0.22 H new ATOM 0 HB3 MET A 71 -2.251 5.726 6.056 1.00 0.22 H new ATOM 0 HG2 MET A 71 -4.461 5.453 5.526 1.00 0.19 H new ATOM 0 HG3 MET A 71 -4.992 6.760 6.567 1.00 0.19 H new ATOM 0 HE1 MET A 71 -6.320 7.760 3.079 1.00 0.20 H new ATOM 0 HE2 MET A 71 -6.445 6.427 4.251 1.00 0.20 H new ATOM 0 HE3 MET A 71 -6.641 8.110 4.794 1.00 0.20 H new ATOM 1100 N GLU A 72 -0.782 5.339 8.419 1.00 0.24 N ATOM 1101 CA GLU A 72 0.584 5.261 8.904 1.00 0.25 C ATOM 1102 C GLU A 72 1.406 4.363 7.987 1.00 0.26 C ATOM 1103 O GLU A 72 0.894 3.386 7.444 1.00 0.29 O ATOM 1104 CB GLU A 72 0.626 4.721 10.341 1.00 0.28 C ATOM 1105 CG GLU A 72 2.026 4.350 10.810 1.00 0.30 C ATOM 1106 CD GLU A 72 2.045 3.686 12.165 1.00 0.67 C ATOM 1107 OE1 GLU A 72 1.594 2.526 12.266 1.00 1.47 O ATOM 1108 OE2 GLU A 72 2.527 4.309 13.133 1.00 1.32 O ATOM 0 H GLU A 72 -1.104 4.495 7.945 1.00 0.24 H new ATOM 0 HA GLU A 72 1.008 6.265 8.904 1.00 0.25 H new ATOM 0 HB2 GLU A 72 0.213 5.471 11.015 1.00 0.28 H new ATOM 0 HB3 GLU A 72 -0.016 3.843 10.410 1.00 0.28 H new ATOM 0 HG2 GLU A 72 2.481 3.682 10.079 1.00 0.30 H new ATOM 0 HG3 GLU A 72 2.640 5.250 10.845 1.00 0.30 H new ATOM 1115 N THR A 73 2.663 4.724 7.784 1.00 0.26 N ATOM 1116 CA THR A 73 3.548 3.930 6.953 1.00 0.28 C ATOM 1117 C THR A 73 4.453 3.093 7.834 1.00 0.30 C ATOM 1118 O THR A 73 4.542 3.318 9.043 1.00 0.36 O ATOM 1119 CB THR A 73 4.426 4.800 6.028 1.00 0.28 C ATOM 1120 OG1 THR A 73 5.429 5.482 6.795 1.00 0.28 O ATOM 1121 CG2 THR A 73 3.583 5.814 5.273 1.00 0.32 C ATOM 0 H THR A 73 3.091 5.560 8.183 1.00 0.26 H new ATOM 0 HA THR A 73 2.919 3.298 6.325 1.00 0.28 H new ATOM 0 HB THR A 73 4.908 4.142 5.305 1.00 0.28 H new ATOM 0 HG1 THR A 73 6.187 5.708 6.216 1.00 0.28 H new ATOM 0 HG21 THR A 73 4.226 6.414 4.629 1.00 0.32 H new ATOM 0 HG22 THR A 73 2.845 5.292 4.664 1.00 0.32 H new ATOM 0 HG23 THR A 73 3.073 6.464 5.984 1.00 0.32 H new ATOM 1129 N MET A 74 5.148 2.148 7.232 1.00 0.32 N ATOM 1130 CA MET A 74 6.054 1.297 7.977 1.00 0.34 C ATOM 1131 C MET A 74 7.324 2.067 8.333 1.00 0.31 C ATOM 1132 O MET A 74 8.227 1.532 8.971 1.00 0.37 O ATOM 1133 CB MET A 74 6.407 0.045 7.173 1.00 0.42 C ATOM 1134 CG MET A 74 5.384 -1.070 7.290 1.00 0.76 C ATOM 1135 SD MET A 74 5.798 -2.498 6.274 1.00 0.93 S ATOM 1136 CE MET A 74 4.539 -3.656 6.803 1.00 1.05 C ATOM 0 H MET A 74 5.103 1.951 6.232 1.00 0.32 H new ATOM 0 HA MET A 74 5.556 0.986 8.896 1.00 0.34 H new ATOM 0 HB2 MET A 74 6.514 0.318 6.123 1.00 0.42 H new ATOM 0 HB3 MET A 74 7.376 -0.328 7.506 1.00 0.42 H new ATOM 0 HG2 MET A 74 5.307 -1.380 8.332 1.00 0.76 H new ATOM 0 HG3 MET A 74 4.405 -0.692 6.997 1.00 0.76 H new ATOM 0 HE1 MET A 74 4.753 -4.641 6.387 1.00 1.05 H new ATOM 0 HE2 MET A 74 4.533 -3.715 7.891 1.00 1.05 H new ATOM 0 HE3 MET A 74 3.564 -3.318 6.453 1.00 1.05 H new ATOM 1146 N GLY A 75 7.390 3.324 7.898 1.00 0.28 N ATOM 1147 CA GLY A 75 8.539 4.157 8.189 1.00 0.31 C ATOM 1148 C GLY A 75 8.310 4.999 9.431 1.00 0.35 C ATOM 1149 O GLY A 75 9.177 5.770 9.846 1.00 0.48 O ATOM 0 H GLY A 75 6.663 3.779 7.347 1.00 0.28 H new ATOM 0 HA2 GLY A 75 9.419 3.530 8.330 1.00 0.31 H new ATOM 0 HA3 GLY A 75 8.744 4.808 7.339 1.00 0.31 H new ATOM 1153 N GLY A 76 7.122 4.859 10.010 1.00 0.34 N ATOM 1154 CA GLY A 76 6.784 5.599 11.210 1.00 0.39 C ATOM 1155 C GLY A 76 6.145 6.934 10.901 1.00 0.38 C ATOM 1156 O GLY A 76 6.220 7.865 11.701 1.00 0.48 O ATOM 0 H GLY A 76 6.385 4.243 9.667 1.00 0.34 H new ATOM 0 HA2 GLY A 76 6.103 5.006 11.820 1.00 0.39 H new ATOM 0 HA3 GLY A 76 7.685 5.759 11.802 1.00 0.39 H new ATOM 1160 N ARG A 77 5.516 7.039 9.736 1.00 0.38 N ATOM 1161 CA ARG A 77 4.863 8.281 9.353 1.00 0.38 C ATOM 1162 C ARG A 77 3.399 8.268 9.748 1.00 0.37 C ATOM 1163 O ARG A 77 2.636 7.408 9.317 1.00 0.36 O ATOM 1164 CB ARG A 77 4.959 8.544 7.854 1.00 0.37 C ATOM 1165 CG ARG A 77 6.349 8.480 7.288 1.00 0.39 C ATOM 1166 CD ARG A 77 6.316 8.804 5.814 1.00 0.43 C ATOM 1167 NE ARG A 77 6.461 10.232 5.562 1.00 0.52 N ATOM 1168 CZ ARG A 77 7.341 10.750 4.715 1.00 0.67 C ATOM 1169 NH1 ARG A 77 8.186 9.969 4.063 1.00 0.80 N ATOM 1170 NH2 ARG A 77 7.377 12.059 4.528 1.00 0.85 N ATOM 0 H ARG A 77 5.445 6.288 9.049 1.00 0.38 H new ATOM 0 HA ARG A 77 5.386 9.077 9.883 1.00 0.38 H new ATOM 0 HB2 ARG A 77 4.336 7.818 7.332 1.00 0.37 H new ATOM 0 HB3 ARG A 77 4.543 9.529 7.645 1.00 0.37 H new ATOM 0 HG2 ARG A 77 6.997 9.184 7.810 1.00 0.39 H new ATOM 0 HG3 ARG A 77 6.769 7.486 7.442 1.00 0.39 H new ATOM 0 HD2 ARG A 77 7.116 8.264 5.307 1.00 0.43 H new ATOM 0 HD3 ARG A 77 5.375 8.455 5.388 1.00 0.43 H new ATOM 0 HE ARG A 77 5.849 10.872 6.068 1.00 0.52 H new ATOM 0 HH11 ARG A 77 8.164 8.960 4.209 1.00 0.80 H new ATOM 0 HH12 ARG A 77 8.859 10.376 3.414 1.00 0.80 H new ATOM 0 HH21 ARG A 77 6.730 12.664 5.034 1.00 0.85 H new ATOM 0 HH22 ARG A 77 8.051 12.463 3.878 1.00 0.85 H new ATOM 1184 N LYS A 78 3.030 9.222 10.580 1.00 0.42 N ATOM 1185 CA LYS A 78 1.655 9.371 11.032 1.00 0.43 C ATOM 1186 C LYS A 78 0.997 10.477 10.226 1.00 0.39 C ATOM 1187 O LYS A 78 1.491 11.604 10.180 1.00 0.44 O ATOM 1188 CB LYS A 78 1.599 9.686 12.530 1.00 0.57 C ATOM 1189 CG LYS A 78 2.005 8.515 13.418 1.00 0.75 C ATOM 1190 CD LYS A 78 3.518 8.341 13.489 1.00 1.12 C ATOM 1191 CE LYS A 78 3.938 7.533 14.708 1.00 1.69 C ATOM 1192 NZ LYS A 78 3.187 6.256 14.828 1.00 1.76 N ATOM 0 H LYS A 78 3.672 9.916 10.963 1.00 0.42 H new ATOM 0 HA LYS A 78 1.120 8.434 10.878 1.00 0.43 H new ATOM 0 HB2 LYS A 78 2.253 10.533 12.739 1.00 0.57 H new ATOM 0 HB3 LYS A 78 0.586 9.994 12.790 1.00 0.57 H new ATOM 0 HG2 LYS A 78 1.612 8.670 14.423 1.00 0.75 H new ATOM 0 HG3 LYS A 78 1.554 7.599 13.037 1.00 0.75 H new ATOM 0 HD2 LYS A 78 3.869 7.844 12.585 1.00 1.12 H new ATOM 0 HD3 LYS A 78 3.995 9.320 13.520 1.00 1.12 H new ATOM 0 HE2 LYS A 78 5.005 7.319 14.649 1.00 1.69 H new ATOM 0 HE3 LYS A 78 3.782 8.129 15.607 1.00 1.69 H new ATOM 0 HZ1 LYS A 78 3.650 5.646 15.531 1.00 1.76 H new ATOM 0 HZ2 LYS A 78 2.212 6.454 15.130 1.00 1.76 H new ATOM 0 HZ3 LYS A 78 3.173 5.773 13.907 1.00 1.76 H new ATOM 1206 N PHE A 79 -0.099 10.147 9.573 1.00 0.33 N ATOM 1207 CA PHE A 79 -0.812 11.089 8.724 1.00 0.31 C ATOM 1208 C PHE A 79 -2.210 10.573 8.447 1.00 0.28 C ATOM 1209 O PHE A 79 -2.612 9.568 8.992 1.00 0.29 O ATOM 1210 CB PHE A 79 -0.054 11.276 7.402 1.00 0.31 C ATOM 1211 CG PHE A 79 0.071 10.002 6.613 1.00 0.28 C ATOM 1212 CD1 PHE A 79 1.065 9.085 6.907 1.00 1.17 C ATOM 1213 CD2 PHE A 79 -0.822 9.710 5.598 1.00 1.07 C ATOM 1214 CE1 PHE A 79 1.161 7.901 6.211 1.00 1.16 C ATOM 1215 CE2 PHE A 79 -0.728 8.528 4.890 1.00 1.09 C ATOM 1216 CZ PHE A 79 0.260 7.620 5.197 1.00 0.26 C ATOM 0 H PHE A 79 -0.523 9.220 9.614 1.00 0.33 H new ATOM 0 HA PHE A 79 -0.880 12.050 9.234 1.00 0.31 H new ATOM 0 HB2 PHE A 79 -0.568 12.023 6.797 1.00 0.31 H new ATOM 0 HB3 PHE A 79 0.942 11.666 7.612 1.00 0.31 H new ATOM 0 HD1 PHE A 79 1.774 9.301 7.692 1.00 1.17 H new ATOM 0 HD2 PHE A 79 -1.603 10.416 5.356 1.00 1.07 H new ATOM 0 HE1 PHE A 79 1.938 7.192 6.455 1.00 1.16 H new ATOM 0 HE2 PHE A 79 -1.429 8.316 4.096 1.00 1.09 H new ATOM 0 HZ PHE A 79 0.332 6.692 4.649 1.00 0.26 H new ATOM 1226 N LYS A 80 -2.965 11.290 7.641 1.00 0.29 N ATOM 1227 CA LYS A 80 -4.288 10.859 7.262 1.00 0.33 C ATOM 1228 C LYS A 80 -4.631 11.466 5.911 1.00 0.27 C ATOM 1229 O LYS A 80 -4.126 12.535 5.564 1.00 0.28 O ATOM 1230 CB LYS A 80 -5.304 11.253 8.325 1.00 0.44 C ATOM 1231 CG LYS A 80 -5.676 12.708 8.299 1.00 0.65 C ATOM 1232 CD LYS A 80 -4.649 13.541 9.037 1.00 0.81 C ATOM 1233 CE LYS A 80 -4.807 15.026 8.751 1.00 1.64 C ATOM 1234 NZ LYS A 80 -6.148 15.536 9.142 1.00 2.55 N ATOM 0 H LYS A 80 -2.679 12.181 7.235 1.00 0.29 H new ATOM 0 HA LYS A 80 -4.316 9.772 7.180 1.00 0.33 H new ATOM 0 HB2 LYS A 80 -6.205 10.655 8.192 1.00 0.44 H new ATOM 0 HB3 LYS A 80 -4.901 11.008 9.308 1.00 0.44 H new ATOM 0 HG2 LYS A 80 -5.753 13.049 7.267 1.00 0.65 H new ATOM 0 HG3 LYS A 80 -6.657 12.845 8.754 1.00 0.65 H new ATOM 0 HD2 LYS A 80 -4.743 13.366 10.109 1.00 0.81 H new ATOM 0 HD3 LYS A 80 -3.648 13.221 8.749 1.00 0.81 H new ATOM 0 HE2 LYS A 80 -4.039 15.581 9.289 1.00 1.64 H new ATOM 0 HE3 LYS A 80 -4.647 15.208 7.688 1.00 1.64 H new ATOM 0 HZ1 LYS A 80 -6.175 16.569 9.024 1.00 2.55 H new ATOM 0 HZ2 LYS A 80 -6.875 15.100 8.539 1.00 2.55 H new ATOM 0 HZ3 LYS A 80 -6.334 15.297 10.137 1.00 2.55 H new ATOM 1248 N ALA A 81 -5.465 10.786 5.147 1.00 0.24 N ATOM 1249 CA ALA A 81 -5.825 11.245 3.814 1.00 0.20 C ATOM 1250 C ALA A 81 -7.226 10.791 3.420 1.00 0.19 C ATOM 1251 O ALA A 81 -7.820 9.938 4.076 1.00 0.19 O ATOM 1252 CB ALA A 81 -4.803 10.742 2.801 1.00 0.21 C ATOM 0 H ALA A 81 -5.908 9.911 5.426 1.00 0.24 H new ATOM 0 HA ALA A 81 -5.824 12.335 3.822 1.00 0.20 H new ATOM 0 HB1 ALA A 81 -5.077 11.089 1.805 1.00 0.21 H new ATOM 0 HB2 ALA A 81 -3.816 11.125 3.059 1.00 0.21 H new ATOM 0 HB3 ALA A 81 -4.784 9.652 2.814 1.00 0.21 H new ATOM 1258 N THR A 82 -7.761 11.408 2.373 1.00 0.19 N ATOM 1259 CA THR A 82 -9.079 11.069 1.869 1.00 0.19 C ATOM 1260 C THR A 82 -8.961 10.072 0.726 1.00 0.20 C ATOM 1261 O THR A 82 -8.139 10.240 -0.177 1.00 0.28 O ATOM 1262 CB THR A 82 -9.828 12.317 1.380 1.00 0.23 C ATOM 1263 OG1 THR A 82 -9.327 13.478 2.064 1.00 0.33 O ATOM 1264 CG2 THR A 82 -11.321 12.169 1.633 1.00 0.25 C ATOM 0 H THR A 82 -7.294 12.152 1.855 1.00 0.19 H new ATOM 0 HA THR A 82 -9.644 10.625 2.689 1.00 0.19 H new ATOM 0 HB THR A 82 -9.666 12.431 0.308 1.00 0.23 H new ATOM 0 HG1 THR A 82 -9.804 14.274 1.750 1.00 0.33 H new ATOM 0 HG21 THR A 82 -11.840 13.061 1.282 1.00 0.25 H new ATOM 0 HG22 THR A 82 -11.696 11.297 1.098 1.00 0.25 H new ATOM 0 HG23 THR A 82 -11.498 12.043 2.701 1.00 0.25 H new ATOM 1272 N VAL A 83 -9.778 9.030 0.775 1.00 0.15 N ATOM 1273 CA VAL A 83 -9.761 7.996 -0.242 1.00 0.15 C ATOM 1274 C VAL A 83 -11.111 7.909 -0.940 1.00 0.16 C ATOM 1275 O VAL A 83 -12.143 7.972 -0.288 1.00 0.19 O ATOM 1276 CB VAL A 83 -9.428 6.624 0.380 1.00 0.15 C ATOM 1277 CG1 VAL A 83 -9.327 5.565 -0.695 1.00 0.15 C ATOM 1278 CG2 VAL A 83 -8.144 6.689 1.195 1.00 0.19 C ATOM 0 H VAL A 83 -10.464 8.880 1.515 1.00 0.15 H new ATOM 0 HA VAL A 83 -8.993 8.259 -0.969 1.00 0.15 H new ATOM 0 HB VAL A 83 -10.239 6.353 1.056 1.00 0.15 H new ATOM 0 HG11 VAL A 83 -9.092 4.604 -0.238 1.00 0.15 H new ATOM 0 HG12 VAL A 83 -10.277 5.492 -1.224 1.00 0.15 H new ATOM 0 HG13 VAL A 83 -8.539 5.835 -1.399 1.00 0.15 H new ATOM 0 HG21 VAL A 83 -7.934 5.708 1.622 1.00 0.19 H new ATOM 0 HG22 VAL A 83 -7.318 6.989 0.550 1.00 0.19 H new ATOM 0 HG23 VAL A 83 -8.259 7.417 1.998 1.00 0.19 H new ATOM 1288 N LYS A 84 -11.101 7.772 -2.255 1.00 0.17 N ATOM 1289 CA LYS A 84 -12.336 7.670 -3.019 1.00 0.19 C ATOM 1290 C LYS A 84 -12.284 6.466 -3.957 1.00 0.19 C ATOM 1291 O LYS A 84 -11.228 5.863 -4.146 1.00 0.21 O ATOM 1292 CB LYS A 84 -12.589 8.956 -3.810 1.00 0.21 C ATOM 1293 CG LYS A 84 -11.500 9.275 -4.819 1.00 0.26 C ATOM 1294 CD LYS A 84 -11.139 10.751 -4.816 1.00 0.42 C ATOM 1295 CE LYS A 84 -10.058 11.068 -5.840 1.00 0.49 C ATOM 1296 NZ LYS A 84 -10.624 11.271 -7.202 1.00 1.14 N ATOM 0 H LYS A 84 -10.251 7.729 -2.818 1.00 0.17 H new ATOM 0 HA LYS A 84 -13.162 7.530 -2.321 1.00 0.19 H new ATOM 0 HB2 LYS A 84 -13.542 8.870 -4.332 1.00 0.21 H new ATOM 0 HB3 LYS A 84 -12.682 9.789 -3.113 1.00 0.21 H new ATOM 0 HG2 LYS A 84 -10.612 8.684 -4.594 1.00 0.26 H new ATOM 0 HG3 LYS A 84 -11.832 8.985 -5.816 1.00 0.26 H new ATOM 0 HD2 LYS A 84 -12.028 11.344 -5.030 1.00 0.42 H new ATOM 0 HD3 LYS A 84 -10.795 11.040 -3.823 1.00 0.42 H new ATOM 0 HE2 LYS A 84 -9.520 11.965 -5.533 1.00 0.49 H new ATOM 0 HE3 LYS A 84 -9.333 10.254 -5.866 1.00 0.49 H new ATOM 0 HZ1 LYS A 84 -9.855 11.485 -7.869 1.00 1.14 H new ATOM 0 HZ2 LYS A 84 -11.116 10.407 -7.506 1.00 1.14 H new ATOM 0 HZ3 LYS A 84 -11.297 12.064 -7.184 1.00 1.14 H new ATOM 1310 N MET A 85 -13.422 6.119 -4.539 1.00 0.21 N ATOM 1311 CA MET A 85 -13.498 4.983 -5.450 1.00 0.22 C ATOM 1312 C MET A 85 -14.006 5.429 -6.813 1.00 0.28 C ATOM 1313 O MET A 85 -15.030 6.109 -6.913 1.00 0.41 O ATOM 1314 CB MET A 85 -14.417 3.900 -4.882 1.00 0.23 C ATOM 1315 CG MET A 85 -13.754 2.544 -4.717 1.00 0.21 C ATOM 1316 SD MET A 85 -14.927 1.259 -4.235 1.00 0.26 S ATOM 1317 CE MET A 85 -13.850 0.110 -3.389 1.00 0.25 C ATOM 0 H MET A 85 -14.307 6.607 -4.398 1.00 0.21 H new ATOM 0 HA MET A 85 -12.496 4.569 -5.564 1.00 0.22 H new ATOM 0 HB2 MET A 85 -14.792 4.229 -3.913 1.00 0.23 H new ATOM 0 HB3 MET A 85 -15.281 3.792 -5.538 1.00 0.23 H new ATOM 0 HG2 MET A 85 -13.274 2.261 -5.654 1.00 0.21 H new ATOM 0 HG3 MET A 85 -12.968 2.616 -3.965 1.00 0.21 H new ATOM 0 HE1 MET A 85 -14.443 -0.704 -2.971 1.00 0.25 H new ATOM 0 HE2 MET A 85 -13.124 -0.295 -4.094 1.00 0.25 H new ATOM 0 HE3 MET A 85 -13.326 0.627 -2.585 1.00 0.25 H new ATOM 1327 N GLU A 86 -13.280 5.067 -7.858 1.00 0.26 N ATOM 1328 CA GLU A 86 -13.673 5.420 -9.213 1.00 0.32 C ATOM 1329 C GLU A 86 -13.390 4.267 -10.165 1.00 0.29 C ATOM 1330 O GLU A 86 -12.243 3.836 -10.308 1.00 0.36 O ATOM 1331 CB GLU A 86 -12.954 6.692 -9.680 1.00 0.48 C ATOM 1332 CG GLU A 86 -11.524 6.812 -9.185 1.00 1.22 C ATOM 1333 CD GLU A 86 -10.976 8.212 -9.356 1.00 1.99 C ATOM 1334 OE1 GLU A 86 -11.279 9.081 -8.517 1.00 2.67 O ATOM 1335 OE2 GLU A 86 -10.237 8.452 -10.334 1.00 2.46 O ATOM 0 H GLU A 86 -12.416 4.529 -7.794 1.00 0.26 H new ATOM 0 HA GLU A 86 -14.745 5.618 -9.215 1.00 0.32 H new ATOM 0 HB2 GLU A 86 -12.953 6.717 -10.770 1.00 0.48 H new ATOM 0 HB3 GLU A 86 -13.519 7.561 -9.342 1.00 0.48 H new ATOM 0 HG2 GLU A 86 -11.481 6.533 -8.132 1.00 1.22 H new ATOM 0 HG3 GLU A 86 -10.893 6.108 -9.727 1.00 1.22 H new ATOM 1342 N GLY A 87 -14.441 3.759 -10.795 1.00 0.37 N ATOM 1343 CA GLY A 87 -14.294 2.653 -11.723 1.00 0.46 C ATOM 1344 C GLY A 87 -13.925 1.364 -11.018 1.00 0.38 C ATOM 1345 O GLY A 87 -13.222 0.519 -11.576 1.00 0.36 O ATOM 0 H GLY A 87 -15.397 4.095 -10.680 1.00 0.37 H new ATOM 0 HA2 GLY A 87 -15.226 2.513 -12.270 1.00 0.46 H new ATOM 0 HA3 GLY A 87 -13.527 2.896 -12.458 1.00 0.46 H new ATOM 1349 N GLY A 88 -14.400 1.215 -9.787 1.00 0.36 N ATOM 1350 CA GLY A 88 -14.095 0.031 -9.013 1.00 0.33 C ATOM 1351 C GLY A 88 -12.642 0.006 -8.595 1.00 0.27 C ATOM 1352 O GLY A 88 -12.033 -1.057 -8.481 1.00 0.32 O ATOM 0 H GLY A 88 -14.992 1.896 -9.312 1.00 0.36 H new ATOM 0 HA2 GLY A 88 -14.731 -0.001 -8.128 1.00 0.33 H new ATOM 0 HA3 GLY A 88 -14.322 -0.859 -9.601 1.00 0.33 H new ATOM 1356 N LYS A 89 -12.078 1.189 -8.387 1.00 0.22 N ATOM 1357 CA LYS A 89 -10.682 1.310 -7.994 1.00 0.19 C ATOM 1358 C LYS A 89 -10.551 2.278 -6.836 1.00 0.17 C ATOM 1359 O LYS A 89 -11.088 3.386 -6.880 1.00 0.20 O ATOM 1360 CB LYS A 89 -9.819 1.800 -9.161 1.00 0.24 C ATOM 1361 CG LYS A 89 -10.027 1.023 -10.448 1.00 0.28 C ATOM 1362 CD LYS A 89 -8.926 1.305 -11.455 1.00 0.52 C ATOM 1363 CE LYS A 89 -9.215 0.652 -12.799 1.00 1.06 C ATOM 1364 NZ LYS A 89 -7.998 0.571 -13.651 1.00 1.76 N ATOM 0 H LYS A 89 -12.567 2.079 -8.484 1.00 0.22 H new ATOM 0 HA LYS A 89 -10.333 0.322 -7.692 1.00 0.19 H new ATOM 0 HB2 LYS A 89 -10.036 2.852 -9.344 1.00 0.24 H new ATOM 0 HB3 LYS A 89 -8.769 1.737 -8.875 1.00 0.24 H new ATOM 0 HG2 LYS A 89 -10.056 -0.044 -10.229 1.00 0.28 H new ATOM 0 HG3 LYS A 89 -10.992 1.286 -10.880 1.00 0.28 H new ATOM 0 HD2 LYS A 89 -8.821 2.382 -11.588 1.00 0.52 H new ATOM 0 HD3 LYS A 89 -7.976 0.937 -11.068 1.00 0.52 H new ATOM 0 HE2 LYS A 89 -9.612 -0.350 -12.638 1.00 1.06 H new ATOM 0 HE3 LYS A 89 -9.986 1.220 -13.320 1.00 1.06 H new ATOM 0 HZ1 LYS A 89 -8.276 0.566 -14.653 1.00 1.76 H new ATOM 0 HZ2 LYS A 89 -7.388 1.393 -13.465 1.00 1.76 H new ATOM 0 HZ3 LYS A 89 -7.478 -0.303 -13.432 1.00 1.76 H new ATOM 1378 N ILE A 90 -9.858 1.849 -5.796 1.00 0.17 N ATOM 1379 CA ILE A 90 -9.642 2.689 -4.636 1.00 0.16 C ATOM 1380 C ILE A 90 -8.445 3.605 -4.870 1.00 0.17 C ATOM 1381 O ILE A 90 -7.310 3.139 -4.952 1.00 0.22 O ATOM 1382 CB ILE A 90 -9.398 1.851 -3.369 1.00 0.17 C ATOM 1383 CG1 ILE A 90 -10.392 0.684 -3.301 1.00 0.19 C ATOM 1384 CG2 ILE A 90 -9.518 2.734 -2.147 1.00 0.18 C ATOM 1385 CD1 ILE A 90 -10.644 0.158 -1.901 1.00 0.20 C ATOM 0 H ILE A 90 -9.436 0.923 -5.733 1.00 0.17 H new ATOM 0 HA ILE A 90 -10.543 3.284 -4.488 1.00 0.16 H new ATOM 0 HB ILE A 90 -8.392 1.433 -3.402 1.00 0.17 H new ATOM 0 HG12 ILE A 90 -11.340 1.005 -3.732 1.00 0.19 H new ATOM 0 HG13 ILE A 90 -10.020 -0.131 -3.921 1.00 0.19 H new ATOM 0 HG21 ILE A 90 -9.345 2.139 -1.250 1.00 0.18 H new ATOM 0 HG22 ILE A 90 -8.778 3.533 -2.201 1.00 0.18 H new ATOM 0 HG23 ILE A 90 -10.517 3.167 -2.108 1.00 0.18 H new ATOM 0 HD11 ILE A 90 -11.358 -0.665 -1.944 1.00 0.20 H new ATOM 0 HD12 ILE A 90 -9.707 -0.197 -1.471 1.00 0.20 H new ATOM 0 HD13 ILE A 90 -11.048 0.957 -1.279 1.00 0.20 H new ATOM 1397 N VAL A 91 -8.707 4.897 -4.998 1.00 0.15 N ATOM 1398 CA VAL A 91 -7.651 5.872 -5.224 1.00 0.17 C ATOM 1399 C VAL A 91 -7.532 6.809 -4.024 1.00 0.16 C ATOM 1400 O VAL A 91 -8.532 7.309 -3.501 1.00 0.16 O ATOM 1401 CB VAL A 91 -7.891 6.685 -6.519 1.00 0.20 C ATOM 1402 CG1 VAL A 91 -9.252 7.349 -6.504 1.00 0.25 C ATOM 1403 CG2 VAL A 91 -6.796 7.721 -6.723 1.00 0.25 C ATOM 0 H VAL A 91 -9.645 5.295 -4.949 1.00 0.15 H new ATOM 0 HA VAL A 91 -6.716 5.326 -5.346 1.00 0.17 H new ATOM 0 HB VAL A 91 -7.863 5.987 -7.356 1.00 0.20 H new ATOM 0 HG11 VAL A 91 -9.392 7.913 -7.426 1.00 0.25 H new ATOM 0 HG12 VAL A 91 -10.028 6.587 -6.423 1.00 0.25 H new ATOM 0 HG13 VAL A 91 -9.317 8.025 -5.652 1.00 0.25 H new ATOM 0 HG21 VAL A 91 -6.989 8.278 -7.640 1.00 0.25 H new ATOM 0 HG22 VAL A 91 -6.783 8.408 -5.877 1.00 0.25 H new ATOM 0 HG23 VAL A 91 -5.831 7.220 -6.799 1.00 0.25 H new ATOM 1413 N ALA A 92 -6.310 7.025 -3.577 1.00 0.18 N ATOM 1414 CA ALA A 92 -6.060 7.882 -2.433 1.00 0.19 C ATOM 1415 C ALA A 92 -5.433 9.206 -2.865 1.00 0.20 C ATOM 1416 O ALA A 92 -4.538 9.230 -3.712 1.00 0.25 O ATOM 1417 CB ALA A 92 -5.178 7.147 -1.438 1.00 0.22 C ATOM 0 H ALA A 92 -5.471 6.617 -3.990 1.00 0.18 H new ATOM 0 HA ALA A 92 -7.008 8.122 -1.951 1.00 0.19 H new ATOM 0 HB1 ALA A 92 -4.988 7.788 -0.577 1.00 0.22 H new ATOM 0 HB2 ALA A 92 -5.680 6.237 -1.109 1.00 0.22 H new ATOM 0 HB3 ALA A 92 -4.232 6.888 -1.913 1.00 0.22 H new ATOM 1423 N ASP A 93 -5.912 10.304 -2.282 1.00 0.22 N ATOM 1424 CA ASP A 93 -5.408 11.636 -2.619 1.00 0.26 C ATOM 1425 C ASP A 93 -4.185 12.003 -1.788 1.00 0.22 C ATOM 1426 O ASP A 93 -4.253 12.068 -0.558 1.00 0.23 O ATOM 1427 CB ASP A 93 -6.511 12.688 -2.423 1.00 0.37 C ATOM 1428 CG ASP A 93 -5.975 14.111 -2.331 1.00 0.50 C ATOM 1429 OD1 ASP A 93 -5.432 14.617 -3.338 1.00 0.88 O ATOM 1430 OD2 ASP A 93 -6.106 14.731 -1.253 1.00 1.19 O ATOM 0 H ASP A 93 -6.647 10.298 -1.575 1.00 0.22 H new ATOM 0 HA ASP A 93 -5.107 11.618 -3.667 1.00 0.26 H new ATOM 0 HB2 ASP A 93 -7.215 12.625 -3.252 1.00 0.37 H new ATOM 0 HB3 ASP A 93 -7.067 12.457 -1.514 1.00 0.37 H new ATOM 1435 N PHE A 94 -3.072 12.246 -2.470 1.00 0.22 N ATOM 1436 CA PHE A 94 -1.821 12.605 -1.812 1.00 0.21 C ATOM 1437 C PHE A 94 -1.018 13.573 -2.666 1.00 0.24 C ATOM 1438 O PHE A 94 -1.120 13.556 -3.896 1.00 0.26 O ATOM 1439 CB PHE A 94 -0.967 11.364 -1.559 1.00 0.21 C ATOM 1440 CG PHE A 94 -1.462 10.490 -0.452 1.00 0.20 C ATOM 1441 CD1 PHE A 94 -1.145 10.775 0.865 1.00 1.14 C ATOM 1442 CD2 PHE A 94 -2.255 9.392 -0.729 1.00 1.26 C ATOM 1443 CE1 PHE A 94 -1.609 9.975 1.887 1.00 1.14 C ATOM 1444 CE2 PHE A 94 -2.724 8.591 0.292 1.00 1.27 C ATOM 1445 CZ PHE A 94 -2.399 8.881 1.600 1.00 0.25 C ATOM 0 H PHE A 94 -3.011 12.200 -3.487 1.00 0.22 H new ATOM 0 HA PHE A 94 -2.078 13.077 -0.864 1.00 0.21 H new ATOM 0 HB2 PHE A 94 -0.920 10.777 -2.476 1.00 0.21 H new ATOM 0 HB3 PHE A 94 0.051 11.679 -1.330 1.00 0.21 H new ATOM 0 HD1 PHE A 94 -0.529 11.632 1.094 1.00 1.14 H new ATOM 0 HD2 PHE A 94 -2.509 9.159 -1.752 1.00 1.26 H new ATOM 0 HE1 PHE A 94 -1.354 10.204 2.911 1.00 1.14 H new ATOM 0 HE2 PHE A 94 -3.346 7.737 0.066 1.00 1.27 H new ATOM 0 HZ PHE A 94 -2.763 8.252 2.399 1.00 0.25 H new ATOM 1455 N PRO A 95 -0.200 14.422 -2.025 1.00 0.26 N ATOM 1456 CA PRO A 95 0.648 15.382 -2.726 1.00 0.29 C ATOM 1457 C PRO A 95 1.847 14.698 -3.382 1.00 0.26 C ATOM 1458 O PRO A 95 2.689 14.122 -2.695 1.00 0.27 O ATOM 1459 CB PRO A 95 1.101 16.330 -1.616 1.00 0.36 C ATOM 1460 CG PRO A 95 1.053 15.524 -0.366 1.00 0.32 C ATOM 1461 CD PRO A 95 -0.045 14.509 -0.556 1.00 0.28 C ATOM 0 HA PRO A 95 0.126 15.888 -3.538 1.00 0.29 H new ATOM 0 HB2 PRO A 95 2.107 16.704 -1.804 1.00 0.36 H new ATOM 0 HB3 PRO A 95 0.446 17.199 -1.549 1.00 0.36 H new ATOM 0 HG2 PRO A 95 2.009 15.033 -0.184 1.00 0.32 H new ATOM 0 HG3 PRO A 95 0.851 16.158 0.497 1.00 0.32 H new ATOM 0 HD2 PRO A 95 0.224 13.545 -0.125 1.00 0.28 H new ATOM 0 HD3 PRO A 95 -0.970 14.827 -0.075 1.00 0.28 H new ATOM 1469 N ASN A 96 1.893 14.743 -4.716 1.00 0.27 N ATOM 1470 CA ASN A 96 2.971 14.120 -5.492 1.00 0.29 C ATOM 1471 C ASN A 96 2.951 12.596 -5.315 1.00 0.28 C ATOM 1472 O ASN A 96 3.923 11.905 -5.615 1.00 0.37 O ATOM 1473 CB ASN A 96 4.340 14.692 -5.080 1.00 0.35 C ATOM 1474 CG ASN A 96 5.326 14.765 -6.230 1.00 0.77 C ATOM 1475 OD1 ASN A 96 5.282 13.964 -7.163 1.00 1.27 O ATOM 1476 ND2 ASN A 96 6.228 15.732 -6.170 1.00 1.50 N ATOM 0 H ASN A 96 1.188 15.210 -5.287 1.00 0.27 H new ATOM 0 HA ASN A 96 2.808 14.348 -6.545 1.00 0.29 H new ATOM 0 HB2 ASN A 96 4.200 15.690 -4.666 1.00 0.35 H new ATOM 0 HB3 ASN A 96 4.761 14.074 -4.287 1.00 0.35 H new ATOM 0 HD21 ASN A 96 6.919 15.832 -6.914 1.00 1.50 H new ATOM 0 HD22 ASN A 96 6.232 16.377 -5.380 1.00 1.50 H new ATOM 1483 N TYR A 97 1.824 12.077 -4.843 1.00 0.23 N ATOM 1484 CA TYR A 97 1.672 10.651 -4.615 1.00 0.21 C ATOM 1485 C TYR A 97 0.280 10.196 -5.038 1.00 0.21 C ATOM 1486 O TYR A 97 -0.727 10.818 -4.703 1.00 0.24 O ATOM 1487 CB TYR A 97 1.913 10.344 -3.137 1.00 0.22 C ATOM 1488 CG TYR A 97 2.283 8.909 -2.844 1.00 0.23 C ATOM 1489 CD1 TYR A 97 1.363 7.880 -3.008 1.00 1.28 C ATOM 1490 CD2 TYR A 97 3.556 8.586 -2.396 1.00 1.14 C ATOM 1491 CE1 TYR A 97 1.701 6.573 -2.736 1.00 1.31 C ATOM 1492 CE2 TYR A 97 3.902 7.279 -2.118 1.00 1.14 C ATOM 1493 CZ TYR A 97 2.972 6.277 -2.291 1.00 0.32 C ATOM 1494 OH TYR A 97 3.308 4.977 -2.011 1.00 0.38 O ATOM 0 H TYR A 97 0.999 12.629 -4.610 1.00 0.23 H new ATOM 0 HA TYR A 97 2.404 10.108 -5.213 1.00 0.21 H new ATOM 0 HB2 TYR A 97 2.708 10.993 -2.770 1.00 0.22 H new ATOM 0 HB3 TYR A 97 1.013 10.595 -2.576 1.00 0.22 H new ATOM 0 HD1 TYR A 97 0.366 8.109 -3.355 1.00 1.28 H new ATOM 0 HD2 TYR A 97 4.287 9.369 -2.263 1.00 1.14 H new ATOM 0 HE1 TYR A 97 0.975 5.785 -2.870 1.00 1.31 H new ATOM 0 HE2 TYR A 97 4.896 7.043 -1.767 1.00 1.14 H new ATOM 0 HH TYR A 97 2.537 4.396 -2.179 1.00 0.38 H new ATOM 1504 N HIS A 98 0.236 9.144 -5.827 1.00 0.21 N ATOM 1505 CA HIS A 98 -1.021 8.595 -6.293 1.00 0.22 C ATOM 1506 C HIS A 98 -1.062 7.100 -6.041 1.00 0.21 C ATOM 1507 O HIS A 98 -0.309 6.352 -6.658 1.00 0.24 O ATOM 1508 CB HIS A 98 -1.213 8.879 -7.780 1.00 0.25 C ATOM 1509 CG HIS A 98 -2.205 9.963 -8.061 1.00 0.52 C ATOM 1510 ND1 HIS A 98 -2.353 11.086 -7.265 1.00 0.81 N ATOM 1511 CD2 HIS A 98 -3.098 10.095 -9.064 1.00 0.81 C ATOM 1512 CE1 HIS A 98 -3.299 11.855 -7.773 1.00 1.09 C ATOM 1513 NE2 HIS A 98 -3.763 11.276 -8.863 1.00 1.09 N ATOM 0 H HIS A 98 1.062 8.648 -6.162 1.00 0.21 H new ATOM 0 HA HIS A 98 -1.831 9.072 -5.741 1.00 0.22 H new ATOM 0 HB2 HIS A 98 -0.253 9.156 -8.215 1.00 0.25 H new ATOM 0 HB3 HIS A 98 -1.537 7.964 -8.277 1.00 0.25 H new ATOM 0 HD1 HIS A 98 -1.817 11.287 -6.421 1.00 0.81 H new ATOM 0 HD2 HIS A 98 -3.259 9.399 -9.874 1.00 0.81 H new ATOM 0 HE1 HIS A 98 -3.635 12.797 -7.365 1.00 1.09 H new ATOM 1522 N HIS A 99 -1.923 6.674 -5.128 1.00 0.21 N ATOM 1523 CA HIS A 99 -2.052 5.258 -4.805 1.00 0.22 C ATOM 1524 C HIS A 99 -3.410 4.729 -5.249 1.00 0.21 C ATOM 1525 O HIS A 99 -4.451 5.168 -4.763 1.00 0.23 O ATOM 1526 CB HIS A 99 -1.853 5.024 -3.300 1.00 0.26 C ATOM 1527 CG HIS A 99 -1.445 3.620 -2.952 1.00 0.32 C ATOM 1528 ND1 HIS A 99 -0.136 3.300 -2.678 1.00 0.67 N ATOM 1529 CD2 HIS A 99 -2.205 2.506 -2.829 1.00 0.52 C ATOM 1530 CE1 HIS A 99 -0.129 2.006 -2.393 1.00 0.64 C ATOM 1531 NE2 HIS A 99 -1.360 1.484 -2.473 1.00 0.49 N ATOM 0 H HIS A 99 -2.542 7.287 -4.598 1.00 0.21 H new ATOM 0 HA HIS A 99 -1.276 4.714 -5.343 1.00 0.22 H new ATOM 0 HB2 HIS A 99 -1.094 5.714 -2.932 1.00 0.26 H new ATOM 0 HB3 HIS A 99 -2.780 5.262 -2.779 1.00 0.26 H new ATOM 0 HD2 HIS A 99 -3.272 2.435 -2.982 1.00 0.52 H new ATOM 0 HE1 HIS A 99 0.755 1.445 -2.130 1.00 0.64 H new ATOM 0 HE2 HIS A 99 -1.620 0.513 -2.302 1.00 0.49 H new ATOM 1539 N THR A 100 -3.390 3.806 -6.198 1.00 0.22 N ATOM 1540 CA THR A 100 -4.610 3.198 -6.714 1.00 0.22 C ATOM 1541 C THR A 100 -4.570 1.683 -6.560 1.00 0.23 C ATOM 1542 O THR A 100 -3.596 1.040 -6.953 1.00 0.31 O ATOM 1543 CB THR A 100 -4.827 3.544 -8.203 1.00 0.23 C ATOM 1544 OG1 THR A 100 -3.628 3.291 -8.948 1.00 0.26 O ATOM 1545 CG2 THR A 100 -5.237 4.997 -8.380 1.00 0.24 C ATOM 0 H THR A 100 -2.534 3.458 -6.631 1.00 0.22 H new ATOM 0 HA THR A 100 -5.437 3.602 -6.131 1.00 0.22 H new ATOM 0 HB THR A 100 -5.632 2.912 -8.577 1.00 0.23 H new ATOM 0 HG1 THR A 100 -3.776 3.512 -9.891 1.00 0.26 H new ATOM 0 HG21 THR A 100 -5.382 5.208 -9.440 1.00 0.24 H new ATOM 0 HG22 THR A 100 -6.168 5.180 -7.843 1.00 0.24 H new ATOM 0 HG23 THR A 100 -4.456 5.646 -7.984 1.00 0.24 H new ATOM 1553 N ALA A 101 -5.625 1.123 -5.987 1.00 0.21 N ATOM 1554 CA ALA A 101 -5.719 -0.316 -5.788 1.00 0.23 C ATOM 1555 C ALA A 101 -6.863 -0.888 -6.619 1.00 0.22 C ATOM 1556 O ALA A 101 -7.959 -0.325 -6.640 1.00 0.23 O ATOM 1557 CB ALA A 101 -5.924 -0.633 -4.313 1.00 0.26 C ATOM 0 H ALA A 101 -6.433 1.647 -5.650 1.00 0.21 H new ATOM 0 HA ALA A 101 -4.787 -0.777 -6.115 1.00 0.23 H new ATOM 0 HB1 ALA A 101 -5.993 -1.713 -4.179 1.00 0.26 H new ATOM 0 HB2 ALA A 101 -5.082 -0.249 -3.738 1.00 0.26 H new ATOM 0 HB3 ALA A 101 -6.845 -0.165 -3.965 1.00 0.26 H new ATOM 1563 N GLU A 102 -6.611 -2.003 -7.297 1.00 0.22 N ATOM 1564 CA GLU A 102 -7.628 -2.631 -8.139 1.00 0.23 C ATOM 1565 C GLU A 102 -7.407 -4.136 -8.242 1.00 0.24 C ATOM 1566 O GLU A 102 -6.424 -4.665 -7.717 1.00 0.26 O ATOM 1567 CB GLU A 102 -7.612 -2.008 -9.534 1.00 0.25 C ATOM 1568 CG GLU A 102 -6.265 -2.111 -10.227 1.00 0.33 C ATOM 1569 CD GLU A 102 -6.142 -1.179 -11.413 1.00 0.56 C ATOM 1570 OE1 GLU A 102 -6.789 -1.439 -12.448 1.00 1.38 O ATOM 1571 OE2 GLU A 102 -5.394 -0.183 -11.323 1.00 1.18 O ATOM 0 H GLU A 102 -5.715 -2.490 -7.281 1.00 0.22 H new ATOM 0 HA GLU A 102 -8.600 -2.460 -7.677 1.00 0.23 H new ATOM 0 HB2 GLU A 102 -8.367 -2.496 -10.150 1.00 0.25 H new ATOM 0 HB3 GLU A 102 -7.893 -0.958 -9.458 1.00 0.25 H new ATOM 0 HG2 GLU A 102 -5.475 -1.886 -9.511 1.00 0.33 H new ATOM 0 HG3 GLU A 102 -6.110 -3.137 -10.560 1.00 0.33 H new ATOM 1578 N ILE A 103 -8.321 -4.808 -8.931 1.00 0.27 N ATOM 1579 CA ILE A 103 -8.252 -6.250 -9.113 1.00 0.29 C ATOM 1580 C ILE A 103 -8.047 -6.578 -10.582 1.00 0.31 C ATOM 1581 O ILE A 103 -8.937 -6.369 -11.407 1.00 0.36 O ATOM 1582 CB ILE A 103 -9.540 -6.959 -8.632 1.00 0.31 C ATOM 1583 CG1 ILE A 103 -9.855 -6.610 -7.173 1.00 0.33 C ATOM 1584 CG2 ILE A 103 -9.408 -8.472 -8.801 1.00 0.36 C ATOM 1585 CD1 ILE A 103 -8.882 -7.210 -6.183 1.00 0.37 C ATOM 0 H ILE A 103 -9.127 -4.370 -9.377 1.00 0.27 H new ATOM 0 HA ILE A 103 -7.413 -6.607 -8.515 1.00 0.29 H new ATOM 0 HB ILE A 103 -10.368 -6.606 -9.247 1.00 0.31 H new ATOM 0 HG12 ILE A 103 -9.854 -5.526 -7.059 1.00 0.33 H new ATOM 0 HG13 ILE A 103 -10.861 -6.955 -6.935 1.00 0.33 H new ATOM 0 HG21 ILE A 103 -10.322 -8.957 -8.458 1.00 0.36 H new ATOM 0 HG22 ILE A 103 -9.244 -8.708 -9.853 1.00 0.36 H new ATOM 0 HG23 ILE A 103 -8.564 -8.832 -8.213 1.00 0.36 H new ATOM 0 HD11 ILE A 103 -9.167 -6.921 -5.172 1.00 0.37 H new ATOM 0 HD12 ILE A 103 -8.900 -8.297 -6.268 1.00 0.37 H new ATOM 0 HD13 ILE A 103 -7.877 -6.846 -6.395 1.00 0.37 H new ATOM 1597 N SER A 104 -6.884 -7.097 -10.907 1.00 0.34 N ATOM 1598 CA SER A 104 -6.575 -7.455 -12.273 1.00 0.38 C ATOM 1599 C SER A 104 -6.176 -8.925 -12.361 1.00 0.48 C ATOM 1600 O SER A 104 -5.086 -9.314 -11.935 1.00 0.88 O ATOM 1601 CB SER A 104 -5.461 -6.557 -12.802 1.00 0.55 C ATOM 1602 OG SER A 104 -5.869 -5.196 -12.844 1.00 1.37 O ATOM 0 H SER A 104 -6.134 -7.281 -10.241 1.00 0.34 H new ATOM 0 HA SER A 104 -7.462 -7.310 -12.889 1.00 0.38 H new ATOM 0 HB2 SER A 104 -4.580 -6.655 -12.168 1.00 0.55 H new ATOM 0 HB3 SER A 104 -5.172 -6.883 -13.801 1.00 0.55 H new ATOM 0 HG SER A 104 -5.134 -4.645 -13.185 1.00 1.37 H new ATOM 1608 N GLY A 105 -7.083 -9.743 -12.884 1.00 0.53 N ATOM 1609 CA GLY A 105 -6.828 -11.164 -13.017 1.00 0.64 C ATOM 1610 C GLY A 105 -6.905 -11.878 -11.686 1.00 0.63 C ATOM 1611 O GLY A 105 -6.153 -12.820 -11.433 1.00 0.96 O ATOM 0 H GLY A 105 -7.998 -9.443 -13.221 1.00 0.53 H new ATOM 0 HA2 GLY A 105 -7.552 -11.600 -13.705 1.00 0.64 H new ATOM 0 HA3 GLY A 105 -5.841 -11.316 -13.454 1.00 0.64 H new ATOM 1615 N GLY A 106 -7.828 -11.430 -10.839 1.00 0.49 N ATOM 1616 CA GLY A 106 -7.993 -12.024 -9.524 1.00 0.50 C ATOM 1617 C GLY A 106 -6.830 -11.718 -8.602 1.00 0.44 C ATOM 1618 O GLY A 106 -6.543 -12.476 -7.674 1.00 0.48 O ATOM 0 H GLY A 106 -8.468 -10.662 -11.042 1.00 0.49 H new ATOM 0 HA2 GLY A 106 -8.916 -11.656 -9.075 1.00 0.50 H new ATOM 0 HA3 GLY A 106 -8.097 -13.104 -9.627 1.00 0.50 H new ATOM 1622 N LYS A 107 -6.160 -10.603 -8.858 1.00 0.38 N ATOM 1623 CA LYS A 107 -5.013 -10.193 -8.062 1.00 0.35 C ATOM 1624 C LYS A 107 -5.081 -8.716 -7.718 1.00 0.32 C ATOM 1625 O LYS A 107 -5.598 -7.909 -8.495 1.00 0.33 O ATOM 1626 CB LYS A 107 -3.721 -10.480 -8.822 1.00 0.34 C ATOM 1627 CG LYS A 107 -3.087 -11.806 -8.457 1.00 0.38 C ATOM 1628 CD LYS A 107 -2.127 -12.280 -9.534 1.00 0.66 C ATOM 1629 CE LYS A 107 -1.409 -13.550 -9.109 1.00 0.75 C ATOM 1630 NZ LYS A 107 -0.236 -13.848 -9.972 1.00 1.22 N ATOM 0 H LYS A 107 -6.394 -9.962 -9.617 1.00 0.38 H new ATOM 0 HA LYS A 107 -5.028 -10.764 -7.134 1.00 0.35 H new ATOM 0 HB2 LYS A 107 -3.928 -10.468 -9.892 1.00 0.34 H new ATOM 0 HB3 LYS A 107 -3.008 -9.679 -8.626 1.00 0.34 H new ATOM 0 HG2 LYS A 107 -2.554 -11.707 -7.511 1.00 0.38 H new ATOM 0 HG3 LYS A 107 -3.866 -12.554 -8.308 1.00 0.38 H new ATOM 0 HD2 LYS A 107 -2.674 -12.461 -10.459 1.00 0.66 H new ATOM 0 HD3 LYS A 107 -1.396 -11.499 -9.743 1.00 0.66 H new ATOM 0 HE2 LYS A 107 -1.081 -13.451 -8.074 1.00 0.75 H new ATOM 0 HE3 LYS A 107 -2.105 -14.388 -9.143 1.00 0.75 H new ATOM 0 HZ1 LYS A 107 0.511 -14.292 -9.401 1.00 1.22 H new ATOM 0 HZ2 LYS A 107 -0.521 -14.497 -10.733 1.00 1.22 H new ATOM 0 HZ3 LYS A 107 0.123 -12.964 -10.386 1.00 1.22 H new ATOM 1644 N LEU A 108 -4.547 -8.373 -6.557 1.00 0.30 N ATOM 1645 CA LEU A 108 -4.520 -6.998 -6.096 1.00 0.28 C ATOM 1646 C LEU A 108 -3.250 -6.330 -6.603 1.00 0.27 C ATOM 1647 O LEU A 108 -2.141 -6.747 -6.263 1.00 0.29 O ATOM 1648 CB LEU A 108 -4.554 -6.952 -4.559 1.00 0.29 C ATOM 1649 CG LEU A 108 -5.173 -5.697 -3.911 1.00 0.34 C ATOM 1650 CD1 LEU A 108 -4.643 -4.415 -4.527 1.00 0.82 C ATOM 1651 CD2 LEU A 108 -6.689 -5.730 -3.996 1.00 0.76 C ATOM 0 H LEU A 108 -4.122 -9.038 -5.911 1.00 0.30 H new ATOM 0 HA LEU A 108 -5.394 -6.471 -6.479 1.00 0.28 H new ATOM 0 HB2 LEU A 108 -5.106 -7.823 -4.206 1.00 0.29 H new ATOM 0 HB3 LEU A 108 -3.532 -7.053 -4.194 1.00 0.29 H new ATOM 0 HG LEU A 108 -4.878 -5.708 -2.862 1.00 0.34 H new ATOM 0 HD11 LEU A 108 -5.107 -3.558 -4.039 1.00 0.82 H new ATOM 0 HD12 LEU A 108 -3.562 -4.367 -4.394 1.00 0.82 H new ATOM 0 HD13 LEU A 108 -4.879 -4.398 -5.591 1.00 0.82 H new ATOM 0 HD21 LEU A 108 -7.099 -4.833 -3.532 1.00 0.76 H new ATOM 0 HD22 LEU A 108 -6.994 -5.769 -5.042 1.00 0.76 H new ATOM 0 HD23 LEU A 108 -7.063 -6.612 -3.476 1.00 0.76 H new ATOM 1663 N VAL A 109 -3.406 -5.322 -7.434 1.00 0.28 N ATOM 1664 CA VAL A 109 -2.269 -4.596 -7.957 1.00 0.29 C ATOM 1665 C VAL A 109 -2.373 -3.126 -7.566 1.00 0.29 C ATOM 1666 O VAL A 109 -3.272 -2.413 -8.009 1.00 0.33 O ATOM 1667 CB VAL A 109 -2.125 -4.754 -9.492 1.00 0.30 C ATOM 1668 CG1 VAL A 109 -3.469 -4.621 -10.193 1.00 0.33 C ATOM 1669 CG2 VAL A 109 -1.130 -3.750 -10.046 1.00 0.32 C ATOM 0 H VAL A 109 -4.311 -4.986 -7.763 1.00 0.28 H new ATOM 0 HA VAL A 109 -1.368 -5.023 -7.516 1.00 0.29 H new ATOM 0 HB VAL A 109 -1.747 -5.758 -9.686 1.00 0.30 H new ATOM 0 HG11 VAL A 109 -3.332 -4.737 -11.268 1.00 0.33 H new ATOM 0 HG12 VAL A 109 -4.147 -5.392 -9.829 1.00 0.33 H new ATOM 0 HG13 VAL A 109 -3.892 -3.638 -9.985 1.00 0.33 H new ATOM 0 HG21 VAL A 109 -1.045 -3.879 -11.125 1.00 0.32 H new ATOM 0 HG22 VAL A 109 -1.474 -2.739 -9.828 1.00 0.32 H new ATOM 0 HG23 VAL A 109 -0.156 -3.910 -9.584 1.00 0.32 H new ATOM 1679 N GLU A 110 -1.478 -2.701 -6.694 1.00 0.28 N ATOM 1680 CA GLU A 110 -1.460 -1.326 -6.234 1.00 0.30 C ATOM 1681 C GLU A 110 -0.414 -0.531 -6.988 1.00 0.28 C ATOM 1682 O GLU A 110 0.707 -1.002 -7.200 1.00 0.34 O ATOM 1683 CB GLU A 110 -1.170 -1.263 -4.737 1.00 0.34 C ATOM 1684 CG GLU A 110 -2.321 -1.736 -3.869 1.00 0.71 C ATOM 1685 CD GLU A 110 -1.863 -2.116 -2.478 1.00 1.02 C ATOM 1686 OE1 GLU A 110 -1.494 -3.290 -2.273 1.00 1.69 O ATOM 1687 OE2 GLU A 110 -1.846 -1.244 -1.588 1.00 1.45 O ATOM 0 H GLU A 110 -0.751 -3.291 -6.289 1.00 0.28 H new ATOM 0 HA GLU A 110 -2.443 -0.893 -6.422 1.00 0.30 H new ATOM 0 HB2 GLU A 110 -0.291 -1.870 -4.521 1.00 0.34 H new ATOM 0 HB3 GLU A 110 -0.922 -0.236 -4.467 1.00 0.34 H new ATOM 0 HG2 GLU A 110 -3.071 -0.948 -3.801 1.00 0.71 H new ATOM 0 HG3 GLU A 110 -2.801 -2.594 -4.340 1.00 0.71 H new ATOM 1694 N ILE A 111 -0.798 0.655 -7.417 1.00 0.26 N ATOM 1695 CA ILE A 111 0.104 1.532 -8.132 1.00 0.24 C ATOM 1696 C ILE A 111 0.347 2.791 -7.315 1.00 0.25 C ATOM 1697 O ILE A 111 -0.596 3.429 -6.846 1.00 0.30 O ATOM 1698 CB ILE A 111 -0.425 1.907 -9.536 1.00 0.26 C ATOM 1699 CG1 ILE A 111 -0.471 0.678 -10.448 1.00 0.29 C ATOM 1700 CG2 ILE A 111 0.461 2.973 -10.159 1.00 0.29 C ATOM 1701 CD1 ILE A 111 -1.811 -0.020 -10.476 1.00 0.37 C ATOM 0 H ILE A 111 -1.735 1.034 -7.281 1.00 0.26 H new ATOM 0 HA ILE A 111 1.040 0.992 -8.276 1.00 0.24 H new ATOM 0 HB ILE A 111 -1.437 2.296 -9.425 1.00 0.26 H new ATOM 0 HG12 ILE A 111 -0.210 0.981 -11.462 1.00 0.29 H new ATOM 0 HG13 ILE A 111 0.289 -0.032 -10.122 1.00 0.29 H new ATOM 0 HG21 ILE A 111 0.080 3.230 -11.147 1.00 0.29 H new ATOM 0 HG22 ILE A 111 0.460 3.861 -9.527 1.00 0.29 H new ATOM 0 HG23 ILE A 111 1.479 2.593 -10.250 1.00 0.29 H new ATOM 0 HD11 ILE A 111 -1.760 -0.879 -11.145 1.00 0.37 H new ATOM 0 HD12 ILE A 111 -2.067 -0.357 -9.471 1.00 0.37 H new ATOM 0 HD13 ILE A 111 -2.574 0.672 -10.832 1.00 0.37 H new ATOM 1713 N SER A 112 1.610 3.140 -7.156 1.00 0.23 N ATOM 1714 CA SER A 112 1.997 4.310 -6.391 1.00 0.24 C ATOM 1715 C SER A 112 2.871 5.206 -7.253 1.00 0.22 C ATOM 1716 O SER A 112 4.006 4.859 -7.571 1.00 0.25 O ATOM 1717 CB SER A 112 2.742 3.881 -5.127 1.00 0.28 C ATOM 1718 OG SER A 112 2.159 2.719 -4.560 1.00 0.37 O ATOM 0 H SER A 112 2.394 2.622 -7.552 1.00 0.23 H new ATOM 0 HA SER A 112 1.108 4.866 -6.092 1.00 0.24 H new ATOM 0 HB2 SER A 112 3.788 3.687 -5.366 1.00 0.28 H new ATOM 0 HB3 SER A 112 2.726 4.692 -4.399 1.00 0.28 H new ATOM 0 HG SER A 112 1.333 2.962 -4.093 1.00 0.37 H new ATOM 1724 N THR A 113 2.329 6.337 -7.661 1.00 0.22 N ATOM 1725 CA THR A 113 3.064 7.270 -8.499 1.00 0.22 C ATOM 1726 C THR A 113 3.657 8.406 -7.685 1.00 0.23 C ATOM 1727 O THR A 113 2.955 9.058 -6.912 1.00 0.26 O ATOM 1728 CB THR A 113 2.157 7.869 -9.576 1.00 0.25 C ATOM 1729 OG1 THR A 113 1.097 6.953 -9.876 1.00 0.27 O ATOM 1730 CG2 THR A 113 2.948 8.177 -10.834 1.00 0.27 C ATOM 0 H THR A 113 1.382 6.634 -7.427 1.00 0.22 H new ATOM 0 HA THR A 113 3.870 6.703 -8.965 1.00 0.22 H new ATOM 0 HB THR A 113 1.736 8.801 -9.199 1.00 0.25 H new ATOM 0 HG1 THR A 113 0.516 7.339 -10.565 1.00 0.27 H new ATOM 0 HG21 THR A 113 2.284 8.602 -11.587 1.00 0.27 H new ATOM 0 HG22 THR A 113 3.737 8.892 -10.602 1.00 0.27 H new ATOM 0 HG23 THR A 113 3.392 7.259 -11.219 1.00 0.27 H new ATOM 1738 N SER A 114 4.946 8.634 -7.860 1.00 0.25 N ATOM 1739 CA SER A 114 5.625 9.711 -7.169 1.00 0.30 C ATOM 1740 C SER A 114 6.561 10.420 -8.134 1.00 0.29 C ATOM 1741 O SER A 114 7.582 9.861 -8.539 1.00 0.30 O ATOM 1742 CB SER A 114 6.399 9.171 -5.962 1.00 0.38 C ATOM 1743 OG SER A 114 7.291 8.138 -6.348 1.00 1.43 O ATOM 0 H SER A 114 5.544 8.085 -8.477 1.00 0.25 H new ATOM 0 HA SER A 114 4.886 10.424 -6.802 1.00 0.30 H new ATOM 0 HB2 SER A 114 6.957 9.981 -5.492 1.00 0.38 H new ATOM 0 HB3 SER A 114 5.699 8.792 -5.217 1.00 0.38 H new ATOM 0 HG SER A 114 7.032 7.301 -5.909 1.00 1.43 H new ATOM 1749 N SER A 115 6.190 11.635 -8.525 1.00 0.37 N ATOM 1750 CA SER A 115 6.982 12.431 -9.455 1.00 0.47 C ATOM 1751 C SER A 115 7.188 11.691 -10.776 1.00 0.47 C ATOM 1752 O SER A 115 8.282 11.691 -11.342 1.00 0.57 O ATOM 1753 CB SER A 115 8.331 12.791 -8.833 1.00 0.54 C ATOM 1754 OG SER A 115 8.162 13.588 -7.673 1.00 0.63 O ATOM 0 H SER A 115 5.336 12.094 -8.208 1.00 0.37 H new ATOM 0 HA SER A 115 6.434 13.350 -9.663 1.00 0.47 H new ATOM 0 HB2 SER A 115 8.871 11.880 -8.576 1.00 0.54 H new ATOM 0 HB3 SER A 115 8.939 13.328 -9.561 1.00 0.54 H new ATOM 0 HG SER A 115 7.206 13.716 -7.501 1.00 0.63 H new ATOM 1760 N GLY A 116 6.133 11.042 -11.254 1.00 0.42 N ATOM 1761 CA GLY A 116 6.216 10.320 -12.508 1.00 0.46 C ATOM 1762 C GLY A 116 6.556 8.860 -12.322 1.00 0.40 C ATOM 1763 O GLY A 116 6.117 8.014 -13.097 1.00 0.46 O ATOM 0 H GLY A 116 5.223 11.003 -10.796 1.00 0.42 H new ATOM 0 HA2 GLY A 116 5.264 10.403 -13.033 1.00 0.46 H new ATOM 0 HA3 GLY A 116 6.971 10.786 -13.141 1.00 0.46 H new ATOM 1767 N VAL A 117 7.342 8.564 -11.295 1.00 0.33 N ATOM 1768 CA VAL A 117 7.743 7.194 -11.017 1.00 0.29 C ATOM 1769 C VAL A 117 6.533 6.354 -10.633 1.00 0.28 C ATOM 1770 O VAL A 117 5.914 6.581 -9.593 1.00 0.29 O ATOM 1771 CB VAL A 117 8.794 7.121 -9.886 1.00 0.30 C ATOM 1772 CG1 VAL A 117 9.136 5.674 -9.556 1.00 0.52 C ATOM 1773 CG2 VAL A 117 10.045 7.887 -10.275 1.00 0.53 C ATOM 0 H VAL A 117 7.713 9.254 -10.642 1.00 0.33 H new ATOM 0 HA VAL A 117 8.192 6.800 -11.929 1.00 0.29 H new ATOM 0 HB VAL A 117 8.368 7.581 -8.995 1.00 0.30 H new ATOM 0 HG11 VAL A 117 9.877 5.648 -8.757 1.00 0.52 H new ATOM 0 HG12 VAL A 117 8.236 5.152 -9.232 1.00 0.52 H new ATOM 0 HG13 VAL A 117 9.540 5.184 -10.442 1.00 0.52 H new ATOM 0 HG21 VAL A 117 10.775 7.826 -9.468 1.00 0.53 H new ATOM 0 HG22 VAL A 117 10.469 7.455 -11.181 1.00 0.53 H new ATOM 0 HG23 VAL A 117 9.791 8.931 -10.456 1.00 0.53 H new ATOM 1783 N VAL A 118 6.195 5.398 -11.482 1.00 0.27 N ATOM 1784 CA VAL A 118 5.059 4.529 -11.233 1.00 0.27 C ATOM 1785 C VAL A 118 5.499 3.230 -10.577 1.00 0.25 C ATOM 1786 O VAL A 118 6.154 2.401 -11.202 1.00 0.29 O ATOM 1787 CB VAL A 118 4.292 4.200 -12.529 1.00 0.29 C ATOM 1788 CG1 VAL A 118 3.085 3.328 -12.226 1.00 0.97 C ATOM 1789 CG2 VAL A 118 3.865 5.474 -13.234 1.00 0.86 C ATOM 0 H VAL A 118 6.693 5.204 -12.351 1.00 0.27 H new ATOM 0 HA VAL A 118 4.394 5.072 -10.561 1.00 0.27 H new ATOM 0 HB VAL A 118 4.958 3.648 -13.192 1.00 0.29 H new ATOM 0 HG11 VAL A 118 2.555 3.105 -13.152 1.00 0.97 H new ATOM 0 HG12 VAL A 118 3.415 2.397 -11.764 1.00 0.97 H new ATOM 0 HG13 VAL A 118 2.418 3.855 -11.544 1.00 0.97 H new ATOM 0 HG21 VAL A 118 3.325 5.221 -14.147 1.00 0.86 H new ATOM 0 HG22 VAL A 118 3.216 6.053 -12.577 1.00 0.86 H new ATOM 0 HG23 VAL A 118 4.747 6.064 -13.485 1.00 0.86 H new ATOM 1799 N TYR A 119 5.156 3.082 -9.316 1.00 0.22 N ATOM 1800 CA TYR A 119 5.484 1.886 -8.556 1.00 0.21 C ATOM 1801 C TYR A 119 4.321 0.904 -8.611 1.00 0.22 C ATOM 1802 O TYR A 119 3.166 1.300 -8.461 1.00 0.29 O ATOM 1803 CB TYR A 119 5.791 2.261 -7.104 1.00 0.22 C ATOM 1804 CG TYR A 119 5.922 1.083 -6.167 1.00 0.21 C ATOM 1805 CD1 TYR A 119 7.099 0.351 -6.104 1.00 1.17 C ATOM 1806 CD2 TYR A 119 4.866 0.703 -5.347 1.00 1.21 C ATOM 1807 CE1 TYR A 119 7.221 -0.727 -5.252 1.00 1.20 C ATOM 1808 CE2 TYR A 119 4.980 -0.374 -4.491 1.00 1.22 C ATOM 1809 CZ TYR A 119 6.161 -1.085 -4.446 1.00 0.34 C ATOM 1810 OH TYR A 119 6.282 -2.166 -3.603 1.00 0.43 O ATOM 0 H TYR A 119 4.642 3.785 -8.785 1.00 0.22 H new ATOM 0 HA TYR A 119 6.365 1.414 -8.992 1.00 0.21 H new ATOM 0 HB2 TYR A 119 6.718 2.834 -7.078 1.00 0.22 H new ATOM 0 HB3 TYR A 119 5.001 2.916 -6.736 1.00 0.22 H new ATOM 0 HD1 TYR A 119 7.933 0.630 -6.732 1.00 1.17 H new ATOM 0 HD2 TYR A 119 3.941 1.260 -5.380 1.00 1.21 H new ATOM 0 HE1 TYR A 119 8.143 -1.288 -5.216 1.00 1.20 H new ATOM 0 HE2 TYR A 119 4.150 -0.658 -3.861 1.00 1.22 H new ATOM 0 HH TYR A 119 6.568 -2.951 -4.116 1.00 0.43 H new ATOM 1820 N LYS A 120 4.619 -0.360 -8.851 1.00 0.21 N ATOM 1821 CA LYS A 120 3.593 -1.381 -8.922 1.00 0.23 C ATOM 1822 C LYS A 120 3.940 -2.583 -8.057 1.00 0.24 C ATOM 1823 O LYS A 120 5.085 -3.026 -8.027 1.00 0.29 O ATOM 1824 CB LYS A 120 3.434 -1.863 -10.358 1.00 0.28 C ATOM 1825 CG LYS A 120 2.828 -0.850 -11.304 1.00 0.31 C ATOM 1826 CD LYS A 120 3.239 -1.164 -12.725 1.00 0.46 C ATOM 1827 CE LYS A 120 2.447 -0.372 -13.745 1.00 0.87 C ATOM 1828 NZ LYS A 120 2.938 -0.637 -15.125 1.00 1.17 N ATOM 0 H LYS A 120 5.568 -0.704 -9.000 1.00 0.21 H new ATOM 0 HA LYS A 120 2.667 -0.933 -8.560 1.00 0.23 H new ATOM 0 HB2 LYS A 120 4.413 -2.155 -10.739 1.00 0.28 H new ATOM 0 HB3 LYS A 120 2.812 -2.758 -10.359 1.00 0.28 H new ATOM 0 HG2 LYS A 120 1.741 -0.864 -11.219 1.00 0.31 H new ATOM 0 HG3 LYS A 120 3.156 0.154 -11.035 1.00 0.31 H new ATOM 0 HD2 LYS A 120 4.301 -0.951 -12.849 1.00 0.46 H new ATOM 0 HD3 LYS A 120 3.104 -2.229 -12.912 1.00 0.46 H new ATOM 0 HE2 LYS A 120 1.391 -0.634 -13.674 1.00 0.87 H new ATOM 0 HE3 LYS A 120 2.526 0.693 -13.525 1.00 0.87 H new ATOM 0 HZ1 LYS A 120 2.897 0.240 -15.682 1.00 1.17 H new ATOM 0 HZ2 LYS A 120 3.920 -0.976 -15.085 1.00 1.17 H new ATOM 0 HZ3 LYS A 120 2.340 -1.360 -15.573 1.00 1.17 H new ATOM 1842 N ARG A 121 2.949 -3.106 -7.363 1.00 0.25 N ATOM 1843 CA ARG A 121 3.134 -4.289 -6.542 1.00 0.28 C ATOM 1844 C ARG A 121 1.903 -5.176 -6.659 1.00 0.28 C ATOM 1845 O ARG A 121 0.775 -4.742 -6.410 1.00 0.34 O ATOM 1846 CB ARG A 121 3.450 -3.940 -5.075 1.00 0.36 C ATOM 1847 CG ARG A 121 2.330 -3.236 -4.323 1.00 0.59 C ATOM 1848 CD ARG A 121 2.565 -3.300 -2.818 1.00 0.84 C ATOM 1849 NE ARG A 121 1.358 -3.001 -2.047 1.00 1.20 N ATOM 1850 CZ ARG A 121 1.315 -2.924 -0.717 1.00 1.59 C ATOM 1851 NH1 ARG A 121 2.408 -3.142 0.010 1.00 1.88 N ATOM 1852 NH2 ARG A 121 0.176 -2.634 -0.114 1.00 2.48 N ATOM 0 H ARG A 121 2.001 -2.729 -7.351 1.00 0.25 H new ATOM 0 HA ARG A 121 4.003 -4.834 -6.910 1.00 0.28 H new ATOM 0 HB2 ARG A 121 3.701 -4.859 -4.545 1.00 0.36 H new ATOM 0 HB3 ARG A 121 4.337 -3.306 -5.051 1.00 0.36 H new ATOM 0 HG2 ARG A 121 2.269 -2.196 -4.642 1.00 0.59 H new ATOM 0 HG3 ARG A 121 1.374 -3.700 -4.567 1.00 0.59 H new ATOM 0 HD2 ARG A 121 2.925 -4.294 -2.552 1.00 0.84 H new ATOM 0 HD3 ARG A 121 3.350 -2.594 -2.546 1.00 0.84 H new ATOM 0 HE ARG A 121 0.492 -2.841 -2.561 1.00 1.20 H new ATOM 0 HH11 ARG A 121 3.289 -3.370 -0.450 1.00 1.88 H new ATOM 0 HH12 ARG A 121 2.365 -3.081 1.027 1.00 1.88 H new ATOM 0 HH21 ARG A 121 -0.666 -2.470 -0.666 1.00 2.48 H new ATOM 0 HH22 ARG A 121 0.138 -2.574 0.904 1.00 2.48 H new ATOM 1866 N THR A 122 2.125 -6.406 -7.089 1.00 0.27 N ATOM 1867 CA THR A 122 1.052 -7.366 -7.268 1.00 0.27 C ATOM 1868 C THR A 122 0.989 -8.325 -6.090 1.00 0.25 C ATOM 1869 O THR A 122 2.009 -8.885 -5.682 1.00 0.29 O ATOM 1870 CB THR A 122 1.254 -8.167 -8.564 1.00 0.31 C ATOM 1871 OG1 THR A 122 1.638 -7.279 -9.622 1.00 0.43 O ATOM 1872 CG2 THR A 122 -0.013 -8.911 -8.952 1.00 0.34 C ATOM 0 H THR A 122 3.051 -6.765 -7.323 1.00 0.27 H new ATOM 0 HA THR A 122 0.115 -6.812 -7.330 1.00 0.27 H new ATOM 0 HB THR A 122 2.041 -8.902 -8.395 1.00 0.31 H new ATOM 0 HG1 THR A 122 1.768 -7.791 -10.448 1.00 0.43 H new ATOM 0 HG21 THR A 122 0.160 -9.469 -9.872 1.00 0.34 H new ATOM 0 HG22 THR A 122 -0.288 -9.602 -8.155 1.00 0.34 H new ATOM 0 HG23 THR A 122 -0.821 -8.197 -9.107 1.00 0.34 H new ATOM 1880 N SER A 123 -0.199 -8.504 -5.555 1.00 0.24 N ATOM 1881 CA SER A 123 -0.404 -9.387 -4.428 1.00 0.23 C ATOM 1882 C SER A 123 -1.506 -10.392 -4.741 1.00 0.23 C ATOM 1883 O SER A 123 -2.563 -10.031 -5.264 1.00 0.25 O ATOM 1884 CB SER A 123 -0.754 -8.564 -3.185 1.00 0.25 C ATOM 1885 OG SER A 123 0.108 -7.443 -3.062 1.00 0.38 O ATOM 0 H SER A 123 -1.047 -8.044 -5.887 1.00 0.24 H new ATOM 0 HA SER A 123 0.514 -9.941 -4.232 1.00 0.23 H new ATOM 0 HB2 SER A 123 -1.789 -8.227 -3.246 1.00 0.25 H new ATOM 0 HB3 SER A 123 -0.674 -9.189 -2.296 1.00 0.25 H new ATOM 0 HG SER A 123 -0.134 -6.930 -2.263 1.00 0.38 H new ATOM 1891 N LYS A 124 -1.243 -11.656 -4.452 1.00 0.23 N ATOM 1892 CA LYS A 124 -2.211 -12.717 -4.702 1.00 0.25 C ATOM 1893 C LYS A 124 -3.254 -12.745 -3.588 1.00 0.22 C ATOM 1894 O LYS A 124 -2.976 -12.315 -2.471 1.00 0.21 O ATOM 1895 CB LYS A 124 -1.507 -14.070 -4.794 1.00 0.29 C ATOM 1896 CG LYS A 124 -0.698 -14.408 -3.554 1.00 0.31 C ATOM 1897 CD LYS A 124 0.046 -15.721 -3.711 1.00 0.43 C ATOM 1898 CE LYS A 124 1.055 -15.920 -2.591 1.00 0.61 C ATOM 1899 NZ LYS A 124 1.838 -17.168 -2.765 1.00 1.45 N ATOM 0 H LYS A 124 -0.365 -11.975 -4.043 1.00 0.23 H new ATOM 0 HA LYS A 124 -2.709 -12.518 -5.651 1.00 0.25 H new ATOM 0 HB2 LYS A 124 -2.251 -14.849 -4.958 1.00 0.29 H new ATOM 0 HB3 LYS A 124 -0.848 -14.071 -5.662 1.00 0.29 H new ATOM 0 HG2 LYS A 124 0.014 -13.607 -3.355 1.00 0.31 H new ATOM 0 HG3 LYS A 124 -1.361 -14.466 -2.691 1.00 0.31 H new ATOM 0 HD2 LYS A 124 -0.665 -16.547 -3.714 1.00 0.43 H new ATOM 0 HD3 LYS A 124 0.559 -15.739 -4.673 1.00 0.43 H new ATOM 0 HE2 LYS A 124 1.734 -15.068 -2.558 1.00 0.61 H new ATOM 0 HE3 LYS A 124 0.534 -15.949 -1.634 1.00 0.61 H new ATOM 0 HZ1 LYS A 124 2.514 -17.266 -1.981 1.00 1.45 H new ATOM 0 HZ2 LYS A 124 1.194 -17.984 -2.770 1.00 1.45 H new ATOM 0 HZ3 LYS A 124 2.356 -17.130 -3.666 1.00 1.45 H new ATOM 1913 N LYS A 125 -4.436 -13.266 -3.892 1.00 0.24 N ATOM 1914 CA LYS A 125 -5.514 -13.335 -2.914 1.00 0.23 C ATOM 1915 C LYS A 125 -5.589 -14.732 -2.320 1.00 0.25 C ATOM 1916 O LYS A 125 -5.741 -15.718 -3.042 1.00 0.31 O ATOM 1917 CB LYS A 125 -6.862 -12.972 -3.560 1.00 0.27 C ATOM 1918 CG LYS A 125 -7.896 -12.420 -2.579 1.00 0.29 C ATOM 1919 CD LYS A 125 -8.313 -13.448 -1.537 1.00 0.38 C ATOM 1920 CE LYS A 125 -9.762 -13.869 -1.686 1.00 0.39 C ATOM 1921 NZ LYS A 125 -10.081 -14.318 -3.066 1.00 1.45 N ATOM 0 H LYS A 125 -4.672 -13.647 -4.808 1.00 0.24 H new ATOM 0 HA LYS A 125 -5.304 -12.616 -2.122 1.00 0.23 H new ATOM 0 HB2 LYS A 125 -6.690 -12.234 -4.343 1.00 0.27 H new ATOM 0 HB3 LYS A 125 -7.272 -13.859 -4.042 1.00 0.27 H new ATOM 0 HG2 LYS A 125 -7.485 -11.544 -2.077 1.00 0.29 H new ATOM 0 HG3 LYS A 125 -8.776 -12.088 -3.131 1.00 0.29 H new ATOM 0 HD2 LYS A 125 -7.672 -14.326 -1.620 1.00 0.38 H new ATOM 0 HD3 LYS A 125 -8.159 -13.034 -0.541 1.00 0.38 H new ATOM 0 HE2 LYS A 125 -9.977 -14.676 -0.985 1.00 0.39 H new ATOM 0 HE3 LYS A 125 -10.410 -13.034 -1.419 1.00 0.39 H new ATOM 0 HZ1 LYS A 125 -10.871 -14.994 -3.037 1.00 1.45 H new ATOM 0 HZ2 LYS A 125 -10.349 -13.497 -3.645 1.00 1.45 H new ATOM 0 HZ3 LYS A 125 -9.247 -14.779 -3.483 1.00 1.45 H new ATOM 1935 N ILE A 126 -5.479 -14.807 -1.005 1.00 0.24 N ATOM 1936 CA ILE A 126 -5.556 -16.073 -0.307 1.00 0.28 C ATOM 1937 C ILE A 126 -6.516 -15.950 0.872 1.00 0.30 C ATOM 1938 O ILE A 126 -6.896 -14.842 1.262 1.00 0.28 O ATOM 1939 CB ILE A 126 -4.168 -16.567 0.192 1.00 0.29 C ATOM 1940 CG1 ILE A 126 -3.004 -15.857 -0.523 1.00 0.28 C ATOM 1941 CG2 ILE A 126 -4.047 -18.069 -0.006 1.00 0.35 C ATOM 1942 CD1 ILE A 126 -2.499 -14.633 0.205 1.00 0.27 C ATOM 0 H ILE A 126 -5.335 -14.000 -0.399 1.00 0.24 H new ATOM 0 HA ILE A 126 -5.923 -16.814 -1.017 1.00 0.28 H new ATOM 0 HB ILE A 126 -4.102 -16.324 1.253 1.00 0.29 H new ATOM 0 HG12 ILE A 126 -2.181 -16.561 -0.645 1.00 0.28 H new ATOM 0 HG13 ILE A 126 -3.327 -15.567 -1.523 1.00 0.28 H new ATOM 0 HG21 ILE A 126 -3.072 -18.405 0.346 1.00 0.35 H new ATOM 0 HG22 ILE A 126 -4.831 -18.575 0.558 1.00 0.35 H new ATOM 0 HG23 ILE A 126 -4.152 -18.306 -1.065 1.00 0.35 H new ATOM 0 HD11 ILE A 126 -1.680 -14.187 -0.359 1.00 0.27 H new ATOM 0 HD12 ILE A 126 -3.308 -13.909 0.304 1.00 0.27 H new ATOM 0 HD13 ILE A 126 -2.145 -14.919 1.195 1.00 0.27 H new ATOM 1954 N ALA A 127 -6.932 -17.085 1.413 1.00 0.38 N ATOM 1955 CA ALA A 127 -7.846 -17.107 2.541 1.00 0.44 C ATOM 1956 C ALA A 127 -7.653 -18.381 3.353 1.00 0.67 C ATOM 1957 O ALA A 127 -7.539 -18.296 4.594 1.00 1.27 O ATOM 1958 CB ALA A 127 -9.286 -16.989 2.061 1.00 0.46 C ATOM 0 H ALA A 127 -6.648 -18.008 1.085 1.00 0.38 H new ATOM 0 HA ALA A 127 -7.628 -16.253 3.183 1.00 0.44 H new ATOM 0 HB1 ALA A 127 -9.958 -17.007 2.919 1.00 0.46 H new ATOM 0 HB2 ALA A 127 -9.413 -16.051 1.520 1.00 0.46 H new ATOM 0 HB3 ALA A 127 -9.519 -17.824 1.400 1.00 0.46 H new TER 1964 ALA A 127 HETATM 1965 C1 CHO A 200 6.867 -0.239 -0.224 1.00 0.35 C HETATM 1966 C2 CHO A 200 5.433 -0.198 0.305 1.00 0.40 C HETATM 1967 C3 CHO A 200 4.793 1.160 0.009 1.00 0.45 C HETATM 1968 O3 CHO A 200 3.464 1.186 0.534 1.00 0.51 O HETATM 1969 C4 CHO A 200 5.620 2.262 0.673 1.00 0.41 C HETATM 1970 C5 CHO A 200 7.055 2.224 0.142 1.00 0.37 C HETATM 1971 C6 CHO A 200 7.863 3.354 0.784 1.00 0.37 C HETATM 1972 C7 CHO A 200 7.962 3.121 2.293 1.00 0.33 C HETATM 1973 O7 CHO A 200 6.657 3.175 2.874 1.00 0.37 O HETATM 1974 C8 CHO A 200 8.594 1.761 2.590 1.00 0.25 C HETATM 1975 C9 CHO A 200 7.786 0.640 1.929 1.00 0.27 C HETATM 1976 C10 CHO A 200 7.707 0.868 0.418 1.00 0.31 C HETATM 1977 C11 CHO A 200 8.397 -0.729 2.243 1.00 0.25 C HETATM 1978 C12 CHO A 200 8.530 -0.953 3.752 1.00 0.23 C HETATM 1979 C13 CHO A 200 9.362 0.182 4.350 1.00 0.21 C HETATM 1980 C14 CHO A 200 8.651 1.505 4.093 1.00 0.23 C HETATM 1981 C15 CHO A 200 9.561 2.455 4.871 1.00 0.25 C HETATM 1982 C16 CHO A 200 9.802 1.685 6.175 1.00 0.24 C HETATM 1983 C17 CHO A 200 9.384 0.241 5.876 1.00 0.23 C HETATM 1984 C18 CHO A 200 10.776 0.216 3.763 1.00 0.22 C HETATM 1985 C19 CHO A 200 9.116 0.856 -0.177 1.00 0.32 C HETATM 1986 C20 CHO A 200 10.333 -0.781 6.505 1.00 0.27 C HETATM 1987 C21 CHO A 200 9.887 -2.208 6.185 1.00 0.31 C HETATM 1988 C22 CHO A 200 10.406 -0.573 8.021 1.00 0.34 C HETATM 1989 C23 CHO A 200 11.329 -1.609 8.667 1.00 0.41 C HETATM 1990 C24 CHO A 200 11.495 -1.341 10.163 1.00 0.54 C HETATM 1991 O24 CHO A 200 11.611 -0.195 10.594 1.00 0.86 O HETATM 1992 N25 CHO A 200 11.518 -2.430 10.929 1.00 0.47 N HETATM 1993 C26 CHO A 200 11.676 -2.350 12.388 1.00 0.58 C HETATM 1994 C27 CHO A 200 10.613 -3.197 13.087 1.00 1.20 C HETATM 1995 OT1 CHO A 200 10.335 -4.303 12.576 1.00 2.01 O HETATM 1996 OT2 CHO A 200 10.114 -2.733 14.132 1.00 1.99 O HETATM 0 H262 CHO A 200 12.670 -2.696 12.672 1.00 0.58 H new HETATM 0 H261 CHO A 200 11.595 -1.313 12.713 1.00 0.58 H new HETATM 0 H232 CHO A 200 10.921 -2.608 8.516 1.00 0.41 H new HETATM 0 H231 CHO A 200 12.304 -1.586 8.180 1.00 0.41 H new HETATM 0 H222 CHO A 200 10.771 0.431 8.238 1.00 0.34 H new HETATM 0 H221 CHO A 200 9.408 -0.650 8.452 1.00 0.34 H new HETATM 0 H213 CHO A 200 8.884 -2.373 6.579 1.00 0.31 H new HETATM 0 H212 CHO A 200 9.881 -2.354 5.105 1.00 0.31 H new HETATM 0 H211 CHO A 200 10.577 -2.916 6.643 1.00 0.31 H new HETATM 0 H193 CHO A 200 9.584 -0.110 0.015 1.00 0.32 H new HETATM 0 H192 CHO A 200 9.058 1.024 -1.252 1.00 0.32 H new HETATM 0 H191 CHO A 200 9.712 1.645 0.282 1.00 0.32 H new HETATM 0 H183 CHO A 200 11.280 -0.727 3.974 1.00 0.22 H new HETATM 0 H182 CHO A 200 10.719 0.364 2.685 1.00 0.22 H new HETATM 0 H181 CHO A 200 11.337 1.036 4.212 1.00 0.22 H new HETATM 0 H162 CHO A 200 10.849 1.737 6.475 1.00 0.24 H new HETATM 0 H161 CHO A 200 9.215 2.103 6.993 1.00 0.24 H new HETATM 0 H152 CHO A 200 10.491 2.654 4.339 1.00 0.25 H new HETATM 0 H151 CHO A 200 9.084 3.419 5.050 1.00 0.25 H new HETATM 0 H122 CHO A 200 7.545 -0.983 4.217 1.00 0.23 H new HETATM 0 H121 CHO A 200 9.005 -1.914 3.950 1.00 0.23 H new HETATM 0 H112 CHO A 200 7.775 -1.513 1.811 1.00 0.25 H new HETATM 0 H111 CHO A 200 9.378 -0.806 1.775 1.00 0.25 H new HETATM 0 HOT CHO A 200 10.144 -3.412 14.838 1.00 1.99 H new HETATM 0 HO7 CHO A 200 6.700 3.646 3.732 1.00 0.37 H new HETATM 0 HO3 CHO A 200 3.055 2.056 0.346 1.00 0.51 H new HETATM 0 HN CHO A 200 11.423 -3.346 10.491 1.00 0.47 H new HETATM 0 H9 CHO A 200 6.774 0.655 2.335 1.00 0.27 H new HETATM 0 H8 CHO A 200 9.607 1.772 2.187 1.00 0.25 H new HETATM 0 H7 CHO A 200 8.591 3.901 2.723 1.00 0.33 H new HETATM 0 H62 CHO A 200 8.860 3.396 0.346 1.00 0.37 H new HETATM 0 H61 CHO A 200 7.387 4.314 0.585 1.00 0.37 H new HETATM 0 H5 CHO A 200 7.036 2.365 -0.939 1.00 0.37 H new HETATM 0 H42 CHO A 200 5.174 3.236 0.472 1.00 0.41 H new HETATM 0 H41 CHO A 200 5.619 2.128 1.755 1.00 0.41 H new HETATM 0 H3 CHO A 200 4.762 1.321 -1.069 1.00 0.45 H new HETATM 0 H22 CHO A 200 4.846 -0.992 -0.156 1.00 0.40 H new HETATM 0 H21 CHO A 200 5.430 -0.382 1.379 1.00 0.40 H new HETATM 0 H20 CHO A 200 11.326 -0.632 6.081 1.00 0.27 H new HETATM 0 H17 CHO A 200 8.417 -0.018 6.308 1.00 0.23 H new HETATM 0 H14 CHO A 200 7.610 1.585 4.405 1.00 0.23 H new HETATM 0 H12 CHO A 200 7.312 -1.211 -0.011 1.00 0.35 H new HETATM 0 H11 CHO A 200 6.865 -0.120 -1.307 1.00 0.35 H new HETATM 2039 C1 CHO A 201 -5.254 4.144 0.428 1.00 0.22 C HETATM 2040 C2 CHO A 201 -5.080 2.880 -0.414 1.00 0.26 C HETATM 2041 C3 CHO A 201 -5.538 1.649 0.371 1.00 0.29 C HETATM 2042 O3 CHO A 201 -5.330 0.482 -0.430 1.00 0.35 O HETATM 2043 C4 CHO A 201 -4.720 1.530 1.658 1.00 0.29 C HETATM 2044 C5 CHO A 201 -4.901 2.793 2.505 1.00 0.25 C HETATM 2045 C6 CHO A 201 -4.119 2.657 3.814 1.00 0.28 C HETATM 2046 C7 CHO A 201 -2.616 2.617 3.532 1.00 0.27 C HETATM 2047 O7 CHO A 201 -2.293 1.431 2.801 1.00 0.30 O HETATM 2048 C8 CHO A 201 -2.183 3.845 2.726 1.00 0.21 C HETATM 2049 C9 CHO A 201 -2.961 3.915 1.410 1.00 0.21 C HETATM 2050 C10 CHO A 201 -4.453 4.031 1.727 1.00 0.21 C HETATM 2051 C11 CHO A 201 -2.504 5.103 0.559 1.00 0.21 C HETATM 2052 C12 CHO A 201 -0.991 5.101 0.324 1.00 0.22 C HETATM 2053 C13 CHO A 201 -0.302 5.079 1.689 1.00 0.20 C HETATM 2054 C14 CHO A 201 -0.688 3.790 2.408 1.00 0.23 C HETATM 2055 C15 CHO A 201 0.237 3.894 3.618 1.00 0.26 C HETATM 2056 C16 CHO A 201 1.570 4.113 2.900 1.00 0.27 C HETATM 2057 C17 CHO A 201 1.222 4.929 1.648 1.00 0.24 C HETATM 2058 C18 CHO A 201 -0.716 6.287 2.530 1.00 0.19 C HETATM 2059 C19 CHO A 201 -4.679 5.279 2.583 1.00 0.22 C HETATM 2060 C20 CHO A 201 1.920 6.290 1.643 1.00 0.24 C HETATM 2061 C21 CHO A 201 1.460 7.138 0.457 1.00 0.27 C HETATM 2062 C22 CHO A 201 3.439 6.109 1.621 1.00 0.28 C HETATM 2063 C23 CHO A 201 4.157 7.459 1.662 1.00 0.32 C HETATM 2064 C24 CHO A 201 5.677 7.276 1.691 1.00 0.37 C HETATM 2065 O24 CHO A 201 6.418 8.036 1.072 1.00 0.67 O HETATM 2066 N25 CHO A 201 6.108 6.250 2.420 1.00 0.31 N HETATM 2067 C26 CHO A 201 7.538 5.939 2.556 1.00 0.33 C HETATM 2068 C27 CHO A 201 8.080 6.572 3.838 1.00 0.50 C HETATM 2069 OT1 CHO A 201 8.897 7.507 3.709 1.00 1.23 O HETATM 2070 OT2 CHO A 201 7.663 6.113 4.925 1.00 1.08 O HETATM 0 H262 CHO A 201 7.685 4.859 2.581 1.00 0.33 H new HETATM 0 H261 CHO A 201 8.086 6.315 1.692 1.00 0.33 H new HETATM 0 H232 CHO A 201 3.876 8.050 0.791 1.00 0.32 H new HETATM 0 H231 CHO A 201 3.838 8.017 2.542 1.00 0.32 H new HETATM 0 H222 CHO A 201 3.748 5.504 2.473 1.00 0.28 H new HETATM 0 H221 CHO A 201 3.730 5.566 0.722 1.00 0.28 H new HETATM 0 H213 CHO A 201 1.696 6.621 -0.473 1.00 0.27 H new HETATM 0 H212 CHO A 201 0.384 7.298 0.520 1.00 0.27 H new HETATM 0 H211 CHO A 201 1.972 8.100 0.478 1.00 0.27 H new HETATM 0 H193 CHO A 201 -4.352 6.162 2.033 1.00 0.22 H new HETATM 0 H192 CHO A 201 -5.739 5.371 2.820 1.00 0.22 H new HETATM 0 H191 CHO A 201 -4.107 5.195 3.507 1.00 0.22 H new HETATM 0 H183 CHO A 201 -0.436 7.204 2.012 1.00 0.19 H new HETATM 0 H182 CHO A 201 -1.795 6.271 2.683 1.00 0.19 H new HETATM 0 H181 CHO A 201 -0.212 6.248 3.496 1.00 0.19 H new HETATM 0 H162 CHO A 201 2.276 4.648 3.535 1.00 0.27 H new HETATM 0 H161 CHO A 201 2.035 3.164 2.635 1.00 0.27 H new HETATM 0 H152 CHO A 201 -0.025 4.723 4.276 1.00 0.26 H new HETATM 0 H151 CHO A 201 0.233 2.990 4.227 1.00 0.26 H new HETATM 0 H122 CHO A 201 -0.698 4.232 -0.265 1.00 0.22 H new HETATM 0 H121 CHO A 201 -0.692 5.984 -0.240 1.00 0.22 H new HETATM 0 H112 CHO A 201 -3.019 5.078 -0.401 1.00 0.21 H new HETATM 0 H111 CHO A 201 -2.792 6.032 1.051 1.00 0.21 H new HETATM 0 HOT CHO A 201 8.240 6.423 5.654 1.00 1.08 H new HETATM 0 HO7 CHO A 201 -1.380 1.150 3.020 1.00 0.30 H new HETATM 0 HO3 CHO A 201 -5.562 -0.316 0.089 1.00 0.35 H new HETATM 0 HN CHO A 201 5.426 5.662 2.899 1.00 0.31 H new HETATM 0 H9 CHO A 201 -2.772 3.009 0.835 1.00 0.21 H new HETATM 0 H8 CHO A 201 -2.391 4.728 3.330 1.00 0.21 H new HETATM 0 H7 CHO A 201 -2.087 2.618 4.485 1.00 0.27 H new HETATM 0 H62 CHO A 201 -4.350 3.494 4.473 1.00 0.28 H new HETATM 0 H61 CHO A 201 -4.423 1.749 4.334 1.00 0.28 H new HETATM 0 H5 CHO A 201 -5.958 2.912 2.742 1.00 0.25 H new HETATM 0 H42 CHO A 201 -5.038 0.654 2.223 1.00 0.29 H new HETATM 0 H41 CHO A 201 -3.666 1.389 1.418 1.00 0.29 H new HETATM 0 H3 CHO A 201 -6.595 1.745 0.621 1.00 0.29 H new HETATM 0 H22 CHO A 201 -5.656 2.967 -1.335 1.00 0.26 H new HETATM 0 H21 CHO A 201 -4.035 2.768 -0.701 1.00 0.26 H new HETATM 0 H20 CHO A 201 1.646 6.817 2.557 1.00 0.24 H new HETATM 0 H17 CHO A 201 1.560 4.434 0.737 1.00 0.24 H new HETATM 0 H14 CHO A 201 -0.570 2.844 1.880 1.00 0.23 H new HETATM 0 H12 CHO A 201 -4.922 5.015 -0.138 1.00 0.22 H new HETATM 0 H11 CHO A 201 -6.309 4.295 0.655 1.00 0.22 H new