USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 669 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 110 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 113 GLN : amide:sc= 1.5 K(o=1.5,f=-5.3!) USER MOD Single : A 38 THR OG1 : rot 84:sc= 1.19 USER MOD Single : A 39 LYS NZ :NH3+ 167:sc= 1.21 (180deg=1.16) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 55 SER OG : rot -140:sc= -0.0334 USER MOD Single : A 58 HIS : no HD1:sc= -0.0454 X(o=-0.045,f=-0.26) USER MOD Single : A 64 SER OG : rot 180:sc= -0.0168 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 HIS :FLIP no HD1:sc= -1.92! C(o=-2.8!,f=-1.9!) USER MOD Single : A 74 SER OG : rot 158:sc= 1.07 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0.101 USER MOD Single : A 84 GLN : amide:sc= 0.499 K(o=0.5,f=-3.8!) USER MOD Single : A 86 HIS : no HE2:sc= 0.129 K(o=0.13,f=-3.1!) USER MOD Single : A 90 HIS : no HE2:sc= -0.0498 K(o=-0.05,f=-2.6!) USER MOD Single : A 102 HIS :FLIP no HD1:sc= -0.293 F(o=-1.4,f=-0.29) USER MOD Single : A 107 GLN : amide:sc= 1.06 K(o=1.1,f=-8.5!) USER MOD Single : A 117 ASN : amide:sc= -0.0574 X(o=-0.057,f=-0.057) USER MOD Single : A 118 SER OG : rot -33:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 31 -0.911 12.445 8.268 1.00 1.36 N ATOM 2 CA PRO A 31 0.020 12.154 7.190 1.00 1.32 C ATOM 3 C PRO A 31 -0.385 10.876 6.454 1.00 1.29 C ATOM 4 O PRO A 31 -0.859 9.917 7.082 1.00 1.30 O ATOM 5 CB PRO A 31 1.404 12.066 7.844 1.00 1.45 C ATOM 6 CG PRO A 31 1.261 12.974 9.065 1.00 1.86 C ATOM 7 CD PRO A 31 -0.180 12.713 9.500 1.00 1.51 C ATOM 0 HA PRO A 31 0.023 12.928 6.423 1.00 1.32 H new ATOM 0 HB2 PRO A 31 1.653 11.043 8.128 1.00 1.45 H new ATOM 0 HB3 PRO A 31 2.191 12.411 7.173 1.00 1.45 H new ATOM 0 HG2 PRO A 31 1.975 12.717 9.848 1.00 1.86 H new ATOM 0 HG3 PRO A 31 1.426 14.022 8.814 1.00 1.86 H new ATOM 0 HD2 PRO A 31 -0.237 11.866 10.184 1.00 1.51 H new ATOM 0 HD3 PRO A 31 -0.595 13.574 10.024 1.00 1.51 H new ATOM 15 N VAL A 32 -0.247 10.868 5.125 1.00 1.29 N ATOM 16 CA VAL A 32 -0.871 9.844 4.262 1.00 1.28 C ATOM 17 C VAL A 32 -0.411 8.420 4.571 1.00 1.17 C ATOM 18 O VAL A 32 -1.107 7.474 4.227 1.00 1.17 O ATOM 19 CB VAL A 32 -0.712 10.124 2.753 1.00 1.38 C ATOM 20 CG1 VAL A 32 -1.176 11.543 2.400 1.00 2.15 C ATOM 21 CG2 VAL A 32 0.706 9.856 2.231 1.00 2.23 C ATOM 0 H VAL A 32 0.296 11.564 4.613 1.00 1.29 H new ATOM 0 HA VAL A 32 -1.930 9.918 4.508 1.00 1.28 H new ATOM 0 HB VAL A 32 -1.361 9.412 2.243 1.00 1.38 H new ATOM 0 HG11 VAL A 32 -1.052 11.711 1.330 1.00 2.15 H new ATOM 0 HG12 VAL A 32 -2.227 11.659 2.666 1.00 2.15 H new ATOM 0 HG13 VAL A 32 -0.580 12.269 2.953 1.00 2.15 H new ATOM 0 HG21 VAL A 32 0.748 10.073 1.164 1.00 2.23 H new ATOM 0 HG22 VAL A 32 1.415 10.494 2.759 1.00 2.23 H new ATOM 0 HG23 VAL A 32 0.964 8.810 2.399 1.00 2.23 H new ATOM 31 N GLU A 33 0.720 8.248 5.254 1.00 1.11 N ATOM 32 CA GLU A 33 1.291 6.955 5.618 1.00 1.05 C ATOM 33 C GLU A 33 0.578 6.359 6.843 1.00 0.98 C ATOM 34 O GLU A 33 0.227 5.181 6.860 1.00 0.96 O ATOM 35 CB GLU A 33 2.812 7.130 5.761 1.00 1.09 C ATOM 36 CG GLU A 33 3.322 7.695 7.081 1.00 1.20 C ATOM 37 CD GLU A 33 4.734 8.288 6.980 1.00 1.52 C ATOM 38 OE1 GLU A 33 4.989 9.143 6.094 1.00 2.22 O ATOM 39 OE2 GLU A 33 5.607 7.926 7.805 1.00 2.40 O ATOM 0 H GLU A 33 1.283 9.034 5.580 1.00 1.11 H new ATOM 0 HA GLU A 33 1.128 6.210 4.839 1.00 1.05 H new ATOM 0 HB2 GLU A 33 3.281 6.159 5.605 1.00 1.09 H new ATOM 0 HB3 GLU A 33 3.155 7.783 4.958 1.00 1.09 H new ATOM 0 HG2 GLU A 33 2.635 8.467 7.428 1.00 1.20 H new ATOM 0 HG3 GLU A 33 3.320 6.905 7.832 1.00 1.20 H new ATOM 46 N ALA A 34 0.230 7.208 7.810 1.00 0.98 N ATOM 47 CA ALA A 34 -0.641 6.870 8.930 1.00 0.95 C ATOM 48 C ALA A 34 -2.102 6.680 8.473 1.00 0.97 C ATOM 49 O ALA A 34 -2.794 5.772 8.948 1.00 0.94 O ATOM 50 CB ALA A 34 -0.474 7.973 9.979 1.00 1.02 C ATOM 0 H ALA A 34 0.556 8.174 7.834 1.00 0.98 H new ATOM 0 HA ALA A 34 -0.362 5.912 9.368 1.00 0.95 H new ATOM 0 HB1 ALA A 34 -1.111 7.758 10.837 1.00 1.02 H new ATOM 0 HB2 ALA A 34 0.567 8.015 10.301 1.00 1.02 H new ATOM 0 HB3 ALA A 34 -0.759 8.932 9.547 1.00 1.02 H new ATOM 56 N ALA A 35 -2.558 7.488 7.507 1.00 1.06 N ATOM 57 CA ALA A 35 -3.886 7.350 6.910 1.00 1.12 C ATOM 58 C ALA A 35 -4.027 6.044 6.104 1.00 1.10 C ATOM 59 O ALA A 35 -4.954 5.282 6.359 1.00 1.12 O ATOM 60 CB ALA A 35 -4.195 8.592 6.066 1.00 1.23 C ATOM 0 H ALA A 35 -2.012 8.257 7.119 1.00 1.06 H new ATOM 0 HA ALA A 35 -4.624 7.281 7.709 1.00 1.12 H new ATOM 0 HB1 ALA A 35 -5.184 8.492 5.620 1.00 1.23 H new ATOM 0 HB2 ALA A 35 -4.171 9.478 6.700 1.00 1.23 H new ATOM 0 HB3 ALA A 35 -3.449 8.690 5.277 1.00 1.23 H new ATOM 66 N ILE A 36 -3.092 5.724 5.197 1.00 1.10 N ATOM 67 CA ILE A 36 -3.122 4.481 4.403 1.00 1.16 C ATOM 68 C ILE A 36 -2.936 3.251 5.287 1.00 1.13 C ATOM 69 O ILE A 36 -3.664 2.284 5.113 1.00 1.20 O ATOM 70 CB ILE A 36 -2.106 4.528 3.244 1.00 1.30 C ATOM 71 CG1 ILE A 36 -2.433 3.542 2.108 1.00 1.39 C ATOM 72 CG2 ILE A 36 -0.655 4.348 3.707 1.00 2.05 C ATOM 73 CD1 ILE A 36 -1.426 3.624 0.952 1.00 1.47 C ATOM 0 H ILE A 36 -2.290 6.320 4.991 1.00 1.10 H new ATOM 0 HA ILE A 36 -4.111 4.398 3.952 1.00 1.16 H new ATOM 0 HB ILE A 36 -2.202 5.536 2.841 1.00 1.30 H new ATOM 0 HG12 ILE A 36 -2.445 2.527 2.504 1.00 1.39 H new ATOM 0 HG13 ILE A 36 -3.434 3.748 1.729 1.00 1.39 H new ATOM 0 HG21 ILE A 36 0.010 4.391 2.845 1.00 2.05 H new ATOM 0 HG22 ILE A 36 -0.395 5.143 4.406 1.00 2.05 H new ATOM 0 HG23 ILE A 36 -0.548 3.382 4.200 1.00 2.05 H new ATOM 0 HD11 ILE A 36 -1.702 2.909 0.177 1.00 1.47 H new ATOM 0 HD12 ILE A 36 -1.432 4.631 0.535 1.00 1.47 H new ATOM 0 HD13 ILE A 36 -0.428 3.391 1.322 1.00 1.47 H new ATOM 85 N ARG A 37 -2.051 3.302 6.293 1.00 1.06 N ATOM 86 CA ARG A 37 -1.980 2.294 7.372 1.00 1.02 C ATOM 87 C ARG A 37 -3.364 2.020 7.958 1.00 1.03 C ATOM 88 O ARG A 37 -3.846 0.893 7.885 1.00 1.04 O ATOM 89 CB ARG A 37 -0.948 2.766 8.398 1.00 1.08 C ATOM 90 CG ARG A 37 -0.610 1.722 9.452 1.00 1.19 C ATOM 91 CD ARG A 37 -1.618 1.549 10.581 1.00 2.34 C ATOM 92 NE ARG A 37 -1.701 2.714 11.480 1.00 3.24 N ATOM 93 CZ ARG A 37 -2.664 2.932 12.358 1.00 4.73 C ATOM 94 NH1 ARG A 37 -3.703 2.164 12.485 1.00 5.74 N ATOM 95 NH2 ARG A 37 -2.593 3.934 13.179 1.00 5.71 N ATOM 0 H ARG A 37 -1.359 4.046 6.386 1.00 1.06 H new ATOM 0 HA ARG A 37 -1.648 1.330 6.987 1.00 1.02 H new ATOM 0 HB2 ARG A 37 -0.035 3.051 7.876 1.00 1.08 H new ATOM 0 HB3 ARG A 37 -1.325 3.661 8.894 1.00 1.08 H new ATOM 0 HG2 ARG A 37 -0.487 0.761 8.953 1.00 1.19 H new ATOM 0 HG3 ARG A 37 0.354 1.979 9.891 1.00 1.19 H new ATOM 0 HD2 ARG A 37 -2.602 1.360 10.153 1.00 2.34 H new ATOM 0 HD3 ARG A 37 -1.350 0.668 11.165 1.00 2.34 H new ATOM 0 HE ARG A 37 -0.955 3.407 11.420 1.00 3.24 H new ATOM 0 HH11 ARG A 37 -3.806 1.343 11.889 1.00 5.74 H new ATOM 0 HH12 ARG A 37 -4.416 2.382 13.181 1.00 5.74 H new ATOM 0 HH21 ARG A 37 -1.789 4.561 13.150 1.00 5.71 H new ATOM 0 HH22 ARG A 37 -3.341 4.095 13.853 1.00 5.71 H new ATOM 109 N THR A 38 -4.016 3.050 8.488 1.00 1.05 N ATOM 110 CA THR A 38 -5.360 2.945 9.095 1.00 1.10 C ATOM 111 C THR A 38 -6.432 2.433 8.112 1.00 1.13 C ATOM 112 O THR A 38 -7.169 1.490 8.426 1.00 1.13 O ATOM 113 CB THR A 38 -5.770 4.303 9.684 1.00 1.23 C ATOM 114 OG1 THR A 38 -4.746 4.755 10.541 1.00 1.51 O ATOM 115 CG2 THR A 38 -7.042 4.223 10.522 1.00 1.33 C ATOM 0 H THR A 38 -3.632 3.995 8.514 1.00 1.05 H new ATOM 0 HA THR A 38 -5.297 2.201 9.889 1.00 1.10 H new ATOM 0 HB THR A 38 -5.943 4.973 8.842 1.00 1.23 H new ATOM 0 HG1 THR A 38 -4.052 5.202 10.014 1.00 1.51 H new ATOM 0 HG21 THR A 38 -7.283 5.212 10.912 1.00 1.33 H new ATOM 0 HG22 THR A 38 -7.865 3.867 9.902 1.00 1.33 H new ATOM 0 HG23 THR A 38 -6.888 3.533 11.352 1.00 1.33 H new ATOM 123 N LYS A 39 -6.489 2.993 6.896 1.00 1.17 N ATOM 124 CA LYS A 39 -7.440 2.620 5.836 1.00 1.29 C ATOM 125 C LYS A 39 -7.251 1.176 5.379 1.00 1.21 C ATOM 126 O LYS A 39 -8.235 0.457 5.240 1.00 1.23 O ATOM 127 CB LYS A 39 -7.297 3.615 4.667 1.00 1.44 C ATOM 128 CG LYS A 39 -8.221 3.360 3.460 1.00 2.13 C ATOM 129 CD LYS A 39 -9.728 3.456 3.766 1.00 2.43 C ATOM 130 CE LYS A 39 -10.442 2.122 3.510 1.00 3.60 C ATOM 131 NZ LYS A 39 -11.908 2.258 3.651 1.00 3.84 N ATOM 0 H LYS A 39 -5.856 3.741 6.613 1.00 1.17 H new ATOM 0 HA LYS A 39 -8.454 2.676 6.233 1.00 1.29 H new ATOM 0 HB2 LYS A 39 -7.489 4.620 5.043 1.00 1.44 H new ATOM 0 HB3 LYS A 39 -6.263 3.596 4.321 1.00 1.44 H new ATOM 0 HG2 LYS A 39 -7.978 4.078 2.676 1.00 2.13 H new ATOM 0 HG3 LYS A 39 -8.008 2.368 3.061 1.00 2.13 H new ATOM 0 HD2 LYS A 39 -9.871 3.752 4.805 1.00 2.43 H new ATOM 0 HD3 LYS A 39 -10.177 4.234 3.148 1.00 2.43 H new ATOM 0 HE2 LYS A 39 -10.203 1.766 2.508 1.00 3.60 H new ATOM 0 HE3 LYS A 39 -10.076 1.371 4.210 1.00 3.60 H new ATOM 0 HZ1 LYS A 39 -12.374 1.413 3.263 1.00 3.84 H new ATOM 0 HZ2 LYS A 39 -12.152 2.357 4.657 1.00 3.84 H new ATOM 0 HZ3 LYS A 39 -12.230 3.100 3.132 1.00 3.84 H new ATOM 145 N LEU A 40 -6.014 0.716 5.198 1.00 1.15 N ATOM 146 CA LEU A 40 -5.709 -0.667 4.819 1.00 1.08 C ATOM 147 C LEU A 40 -5.975 -1.644 5.976 1.00 1.00 C ATOM 148 O LEU A 40 -6.418 -2.765 5.731 1.00 1.01 O ATOM 149 CB LEU A 40 -4.267 -0.752 4.286 1.00 1.05 C ATOM 150 CG LEU A 40 -4.067 -0.326 2.810 1.00 1.15 C ATOM 151 CD1 LEU A 40 -4.466 -1.480 1.889 1.00 1.30 C ATOM 152 CD2 LEU A 40 -4.828 0.915 2.319 1.00 1.39 C ATOM 0 H LEU A 40 -5.184 1.298 5.311 1.00 1.15 H new ATOM 0 HA LEU A 40 -6.380 -0.972 4.016 1.00 1.08 H new ATOM 0 HB2 LEU A 40 -3.630 -0.128 4.914 1.00 1.05 H new ATOM 0 HB3 LEU A 40 -3.918 -1.779 4.399 1.00 1.05 H new ATOM 0 HG LEU A 40 -3.010 -0.061 2.773 1.00 1.15 H new ATOM 0 HD11 LEU A 40 -4.326 -1.182 0.850 1.00 1.30 H new ATOM 0 HD12 LEU A 40 -3.844 -2.349 2.104 1.00 1.30 H new ATOM 0 HD13 LEU A 40 -5.513 -1.733 2.056 1.00 1.30 H new ATOM 0 HD21 LEU A 40 -4.593 1.094 1.270 1.00 1.39 H new ATOM 0 HD22 LEU A 40 -5.900 0.751 2.428 1.00 1.39 H new ATOM 0 HD23 LEU A 40 -4.532 1.781 2.911 1.00 1.39 H new ATOM 164 N GLU A 41 -5.804 -1.210 7.228 1.00 0.97 N ATOM 165 CA GLU A 41 -6.235 -1.946 8.425 1.00 0.99 C ATOM 166 C GLU A 41 -7.765 -2.010 8.592 1.00 1.10 C ATOM 167 O GLU A 41 -8.275 -2.977 9.164 1.00 1.19 O ATOM 168 CB GLU A 41 -5.522 -1.382 9.668 1.00 1.07 C ATOM 169 CG GLU A 41 -4.063 -1.880 9.739 1.00 1.65 C ATOM 170 CD GLU A 41 -3.240 -1.277 10.886 1.00 2.27 C ATOM 171 OE1 GLU A 41 -2.024 -1.573 10.965 1.00 3.41 O ATOM 172 OE2 GLU A 41 -3.780 -0.494 11.703 1.00 2.63 O ATOM 0 H GLU A 41 -5.354 -0.321 7.444 1.00 0.97 H new ATOM 0 HA GLU A 41 -5.936 -2.986 8.297 1.00 0.99 H new ATOM 0 HB2 GLU A 41 -5.538 -0.293 9.638 1.00 1.07 H new ATOM 0 HB3 GLU A 41 -6.058 -1.684 10.568 1.00 1.07 H new ATOM 0 HG2 GLU A 41 -4.067 -2.965 9.843 1.00 1.65 H new ATOM 0 HG3 GLU A 41 -3.568 -1.652 8.795 1.00 1.65 H new ATOM 179 N GLU A 42 -8.519 -1.055 8.038 1.00 1.19 N ATOM 180 CA GLU A 42 -9.969 -1.149 7.847 1.00 1.30 C ATOM 181 C GLU A 42 -10.357 -1.980 6.594 1.00 1.39 C ATOM 182 O GLU A 42 -11.443 -2.565 6.558 1.00 1.61 O ATOM 183 CB GLU A 42 -10.509 0.299 7.845 1.00 1.36 C ATOM 184 CG GLU A 42 -11.836 0.459 7.108 1.00 2.02 C ATOM 185 CD GLU A 42 -12.443 1.855 7.273 1.00 2.58 C ATOM 186 OE1 GLU A 42 -12.196 2.725 6.407 1.00 3.56 O ATOM 187 OE2 GLU A 42 -13.209 2.082 8.247 1.00 2.89 O ATOM 0 H GLU A 42 -8.128 -0.175 7.702 1.00 1.19 H new ATOM 0 HA GLU A 42 -10.436 -1.707 8.659 1.00 1.30 H new ATOM 0 HB2 GLU A 42 -10.634 0.632 8.875 1.00 1.36 H new ATOM 0 HB3 GLU A 42 -9.768 0.953 7.386 1.00 1.36 H new ATOM 0 HG2 GLU A 42 -11.684 0.257 6.048 1.00 2.02 H new ATOM 0 HG3 GLU A 42 -12.543 -0.285 7.476 1.00 2.02 H new ATOM 194 N ALA A 43 -9.506 -2.053 5.564 1.00 1.28 N ATOM 195 CA ALA A 43 -9.843 -2.639 4.259 1.00 1.39 C ATOM 196 C ALA A 43 -9.498 -4.129 4.087 1.00 1.42 C ATOM 197 O ALA A 43 -10.329 -4.884 3.581 1.00 1.57 O ATOM 198 CB ALA A 43 -9.148 -1.822 3.165 1.00 1.43 C ATOM 0 H ALA A 43 -8.550 -1.702 5.613 1.00 1.28 H new ATOM 0 HA ALA A 43 -10.930 -2.596 4.185 1.00 1.39 H new ATOM 0 HB1 ALA A 43 -9.387 -2.243 2.189 1.00 1.43 H new ATOM 0 HB2 ALA A 43 -9.492 -0.789 3.209 1.00 1.43 H new ATOM 0 HB3 ALA A 43 -8.069 -1.852 3.318 1.00 1.43 H new ATOM 204 N LEU A 44 -8.263 -4.546 4.406 1.00 1.33 N ATOM 205 CA LEU A 44 -7.718 -5.861 4.039 1.00 1.47 C ATOM 206 C LEU A 44 -7.037 -6.621 5.181 1.00 1.47 C ATOM 207 O LEU A 44 -6.362 -7.627 4.945 1.00 1.83 O ATOM 208 CB LEU A 44 -6.923 -5.775 2.750 1.00 1.57 C ATOM 209 CG LEU A 44 -5.641 -4.942 2.713 1.00 1.59 C ATOM 210 CD1 LEU A 44 -4.438 -5.599 3.395 1.00 1.37 C ATOM 211 CD2 LEU A 44 -5.357 -4.837 1.223 1.00 1.89 C ATOM 0 H LEU A 44 -7.606 -3.971 4.933 1.00 1.33 H new ATOM 0 HA LEU A 44 -8.570 -6.509 3.832 1.00 1.47 H new ATOM 0 HB2 LEU A 44 -6.661 -6.792 2.459 1.00 1.57 H new ATOM 0 HB3 LEU A 44 -7.589 -5.385 1.980 1.00 1.57 H new ATOM 0 HG LEU A 44 -5.781 -4.000 3.244 1.00 1.59 H new ATOM 0 HD11 LEU A 44 -3.573 -4.940 3.321 1.00 1.37 H new ATOM 0 HD12 LEU A 44 -4.669 -5.779 4.445 1.00 1.37 H new ATOM 0 HD13 LEU A 44 -4.215 -6.547 2.905 1.00 1.37 H new ATOM 0 HD21 LEU A 44 -4.449 -4.254 1.066 1.00 1.89 H new ATOM 0 HD22 LEU A 44 -5.224 -5.836 0.807 1.00 1.89 H new ATOM 0 HD23 LEU A 44 -6.194 -4.346 0.727 1.00 1.89 H new ATOM 223 N SER A 45 -7.210 -6.126 6.409 1.00 1.21 N ATOM 224 CA SER A 45 -6.817 -6.798 7.655 1.00 1.22 C ATOM 225 C SER A 45 -5.363 -7.329 7.639 1.00 0.99 C ATOM 226 O SER A 45 -5.153 -8.544 7.689 1.00 1.12 O ATOM 227 CB SER A 45 -7.883 -7.841 7.961 1.00 1.77 C ATOM 228 OG SER A 45 -9.065 -7.104 8.253 1.00 2.40 O ATOM 0 H SER A 45 -7.642 -5.216 6.571 1.00 1.21 H new ATOM 0 HA SER A 45 -6.781 -6.084 8.478 1.00 1.22 H new ATOM 0 HB2 SER A 45 -8.036 -8.507 7.112 1.00 1.77 H new ATOM 0 HB3 SER A 45 -7.591 -8.464 8.806 1.00 1.77 H new ATOM 0 HG SER A 45 -9.795 -7.725 8.458 1.00 2.40 H new ATOM 234 N PRO A 46 -4.351 -6.438 7.508 1.00 0.77 N ATOM 235 CA PRO A 46 -2.931 -6.789 7.440 1.00 0.64 C ATOM 236 C PRO A 46 -2.405 -7.667 8.576 1.00 0.73 C ATOM 237 O PRO A 46 -2.850 -7.566 9.716 1.00 0.96 O ATOM 238 CB PRO A 46 -2.176 -5.459 7.514 1.00 0.71 C ATOM 239 CG PRO A 46 -3.141 -4.423 6.980 1.00 0.74 C ATOM 240 CD PRO A 46 -4.492 -4.988 7.413 1.00 0.78 C ATOM 0 HA PRO A 46 -2.787 -7.370 6.529 1.00 0.64 H new ATOM 0 HB2 PRO A 46 -1.881 -5.231 8.538 1.00 0.71 H new ATOM 0 HB3 PRO A 46 -1.264 -5.491 6.919 1.00 0.71 H new ATOM 0 HG2 PRO A 46 -2.957 -3.437 7.406 1.00 0.74 H new ATOM 0 HG3 PRO A 46 -3.071 -4.321 5.897 1.00 0.74 H new ATOM 0 HD2 PRO A 46 -4.793 -4.568 8.373 1.00 0.78 H new ATOM 0 HD3 PRO A 46 -5.266 -4.724 6.693 1.00 0.78 H new ATOM 248 N GLU A 47 -1.322 -8.381 8.282 1.00 0.66 N ATOM 249 CA GLU A 47 -0.316 -8.778 9.260 1.00 0.71 C ATOM 250 C GLU A 47 0.689 -7.649 9.512 1.00 0.78 C ATOM 251 O GLU A 47 1.013 -7.358 10.661 1.00 0.97 O ATOM 252 CB GLU A 47 0.433 -9.980 8.706 1.00 0.69 C ATOM 253 CG GLU A 47 1.327 -10.628 9.757 1.00 0.86 C ATOM 254 CD GLU A 47 0.580 -11.385 10.869 1.00 1.45 C ATOM 255 OE1 GLU A 47 -0.501 -11.981 10.634 1.00 1.80 O ATOM 256 OE2 GLU A 47 1.074 -11.363 12.024 1.00 2.75 O ATOM 0 H GLU A 47 -1.116 -8.706 7.337 1.00 0.66 H new ATOM 0 HA GLU A 47 -0.812 -9.014 10.201 1.00 0.71 H new ATOM 0 HB2 GLU A 47 -0.283 -10.714 8.336 1.00 0.69 H new ATOM 0 HB3 GLU A 47 1.040 -9.669 7.855 1.00 0.69 H new ATOM 0 HG2 GLU A 47 2.005 -11.321 9.258 1.00 0.86 H new ATOM 0 HG3 GLU A 47 1.943 -9.854 10.215 1.00 0.86 H new ATOM 263 N VAL A 48 1.226 -7.051 8.439 1.00 0.67 N ATOM 264 CA VAL A 48 2.537 -6.359 8.503 1.00 0.69 C ATOM 265 C VAL A 48 2.664 -5.318 7.384 1.00 0.96 C ATOM 266 O VAL A 48 2.090 -5.515 6.313 1.00 1.36 O ATOM 267 CB VAL A 48 3.654 -7.444 8.467 1.00 1.35 C ATOM 268 CG1 VAL A 48 4.777 -7.315 7.436 1.00 0.93 C ATOM 269 CG2 VAL A 48 4.306 -7.650 9.832 1.00 3.27 C ATOM 0 H VAL A 48 0.783 -7.028 7.520 1.00 0.67 H new ATOM 0 HA VAL A 48 2.634 -5.795 9.431 1.00 0.69 H new ATOM 0 HB VAL A 48 3.064 -8.302 8.144 1.00 1.35 H new ATOM 0 HG11 VAL A 48 5.469 -8.150 7.546 1.00 0.93 H new ATOM 0 HG12 VAL A 48 4.352 -7.326 6.432 1.00 0.93 H new ATOM 0 HG13 VAL A 48 5.310 -6.378 7.594 1.00 0.93 H new ATOM 0 HG21 VAL A 48 5.078 -8.416 9.755 1.00 3.27 H new ATOM 0 HG22 VAL A 48 4.755 -6.715 10.166 1.00 3.27 H new ATOM 0 HG23 VAL A 48 3.551 -7.967 10.552 1.00 3.27 H new ATOM 279 N LEU A 49 3.397 -4.215 7.599 1.00 1.09 N ATOM 280 CA LEU A 49 3.678 -3.199 6.567 1.00 1.21 C ATOM 281 C LEU A 49 5.098 -2.602 6.667 1.00 1.48 C ATOM 282 O LEU A 49 5.629 -2.431 7.767 1.00 2.00 O ATOM 283 CB LEU A 49 2.670 -2.021 6.591 1.00 1.57 C ATOM 284 CG LEU A 49 1.159 -2.336 6.582 1.00 1.35 C ATOM 285 CD1 LEU A 49 0.600 -2.448 8.009 1.00 2.27 C ATOM 286 CD2 LEU A 49 0.377 -1.221 5.876 1.00 1.23 C ATOM 0 H LEU A 49 3.817 -3.999 8.503 1.00 1.09 H new ATOM 0 HA LEU A 49 3.583 -3.749 5.631 1.00 1.21 H new ATOM 0 HB2 LEU A 49 2.878 -1.427 7.481 1.00 1.57 H new ATOM 0 HB3 LEU A 49 2.881 -1.389 5.729 1.00 1.57 H new ATOM 0 HG LEU A 49 1.042 -3.285 6.058 1.00 1.35 H new ATOM 0 HD11 LEU A 49 -0.466 -2.670 7.966 1.00 2.27 H new ATOM 0 HD12 LEU A 49 1.116 -3.248 8.540 1.00 2.27 H new ATOM 0 HD13 LEU A 49 0.753 -1.505 8.535 1.00 2.27 H new ATOM 0 HD21 LEU A 49 -0.686 -1.463 5.881 1.00 1.23 H new ATOM 0 HD22 LEU A 49 0.537 -0.278 6.398 1.00 1.23 H new ATOM 0 HD23 LEU A 49 0.724 -1.129 4.847 1.00 1.23 H new ATOM 298 N GLU A 50 5.681 -2.189 5.535 1.00 1.18 N ATOM 299 CA GLU A 50 6.866 -1.334 5.452 1.00 1.27 C ATOM 300 C GLU A 50 6.742 -0.376 4.262 1.00 1.10 C ATOM 301 O GLU A 50 6.645 -0.774 3.106 1.00 1.11 O ATOM 302 CB GLU A 50 8.135 -2.145 5.260 1.00 1.44 C ATOM 303 CG GLU A 50 8.462 -3.129 6.388 1.00 1.69 C ATOM 304 CD GLU A 50 9.879 -3.716 6.289 1.00 2.45 C ATOM 305 OE1 GLU A 50 10.453 -3.807 5.174 1.00 3.92 O ATOM 306 OE2 GLU A 50 10.457 -4.067 7.348 1.00 2.52 O ATOM 0 H GLU A 50 5.324 -2.453 4.617 1.00 1.18 H new ATOM 0 HA GLU A 50 6.927 -0.786 6.392 1.00 1.27 H new ATOM 0 HB2 GLU A 50 8.052 -2.702 4.327 1.00 1.44 H new ATOM 0 HB3 GLU A 50 8.973 -1.457 5.147 1.00 1.44 H new ATOM 0 HG2 GLU A 50 8.352 -2.622 7.347 1.00 1.69 H new ATOM 0 HG3 GLU A 50 7.737 -3.943 6.373 1.00 1.69 H new ATOM 313 N LEU A 51 6.701 0.912 4.546 1.00 1.02 N ATOM 314 CA LEU A 51 6.220 1.940 3.609 1.00 0.81 C ATOM 315 C LEU A 51 6.982 3.279 3.734 1.00 0.92 C ATOM 316 O LEU A 51 7.713 3.475 4.711 1.00 1.26 O ATOM 317 CB LEU A 51 4.678 2.020 3.740 1.00 0.75 C ATOM 318 CG LEU A 51 4.163 2.901 4.884 1.00 1.01 C ATOM 319 CD1 LEU A 51 2.632 2.925 4.971 1.00 1.28 C ATOM 320 CD2 LEU A 51 4.683 2.512 6.268 1.00 1.37 C ATOM 0 H LEU A 51 7.003 1.291 5.444 1.00 1.02 H new ATOM 0 HA LEU A 51 6.445 1.659 2.580 1.00 0.81 H new ATOM 0 HB2 LEU A 51 4.269 2.395 2.802 1.00 0.75 H new ATOM 0 HB3 LEU A 51 4.289 1.011 3.877 1.00 0.75 H new ATOM 0 HG LEU A 51 4.553 3.885 4.623 1.00 1.01 H new ATOM 0 HD11 LEU A 51 2.325 3.564 5.799 1.00 1.28 H new ATOM 0 HD12 LEU A 51 2.221 3.314 4.040 1.00 1.28 H new ATOM 0 HD13 LEU A 51 2.261 1.914 5.137 1.00 1.28 H new ATOM 0 HD21 LEU A 51 4.268 3.188 7.016 1.00 1.37 H new ATOM 0 HD22 LEU A 51 4.382 1.490 6.496 1.00 1.37 H new ATOM 0 HD23 LEU A 51 5.771 2.581 6.281 1.00 1.37 H new ATOM 332 N ARG A 52 6.865 4.181 2.747 1.00 0.75 N ATOM 333 CA ARG A 52 7.646 5.434 2.647 1.00 0.89 C ATOM 334 C ARG A 52 6.997 6.444 1.690 1.00 0.76 C ATOM 335 O ARG A 52 6.516 6.059 0.626 1.00 0.67 O ATOM 336 CB ARG A 52 9.070 5.078 2.165 1.00 1.11 C ATOM 337 CG ARG A 52 9.954 6.312 1.933 1.00 1.83 C ATOM 338 CD ARG A 52 11.405 5.927 1.638 1.00 2.90 C ATOM 339 NE ARG A 52 12.160 7.107 1.182 1.00 3.80 N ATOM 340 CZ ARG A 52 12.241 7.572 -0.049 1.00 5.26 C ATOM 341 NH1 ARG A 52 11.771 6.936 -1.080 1.00 6.35 N ATOM 342 NH2 ARG A 52 12.799 8.722 -0.264 1.00 6.04 N ATOM 0 H ARG A 52 6.210 4.061 1.975 1.00 0.75 H new ATOM 0 HA ARG A 52 7.679 5.908 3.628 1.00 0.89 H new ATOM 0 HB2 ARG A 52 9.546 4.431 2.902 1.00 1.11 H new ATOM 0 HB3 ARG A 52 9.002 4.508 1.238 1.00 1.11 H new ATOM 0 HG2 ARG A 52 9.556 6.892 1.101 1.00 1.83 H new ATOM 0 HG3 ARG A 52 9.920 6.953 2.814 1.00 1.83 H new ATOM 0 HD2 ARG A 52 11.869 5.513 2.533 1.00 2.90 H new ATOM 0 HD3 ARG A 52 11.435 5.149 0.875 1.00 2.90 H new ATOM 0 HE ARG A 52 12.676 7.620 1.897 1.00 3.80 H new ATOM 0 HH11 ARG A 52 11.313 6.033 -0.957 1.00 6.35 H new ATOM 0 HH12 ARG A 52 11.860 7.340 -2.012 1.00 6.35 H new ATOM 0 HH21 ARG A 52 13.172 9.262 0.517 1.00 6.04 H new ATOM 0 HH22 ARG A 52 12.865 9.087 -1.214 1.00 6.04 H new ATOM 356 N ASN A 53 7.053 7.742 2.006 1.00 0.89 N ATOM 357 CA ASN A 53 6.746 8.809 1.058 1.00 0.86 C ATOM 358 C ASN A 53 7.992 9.317 0.297 1.00 0.92 C ATOM 359 O ASN A 53 9.041 9.587 0.878 1.00 1.20 O ATOM 360 CB ASN A 53 5.865 9.876 1.738 1.00 1.08 C ATOM 361 CG ASN A 53 6.543 10.981 2.536 1.00 1.50 C ATOM 362 OD1 ASN A 53 7.681 10.901 2.970 1.00 2.48 O ATOM 363 ND2 ASN A 53 5.827 12.051 2.783 1.00 1.27 N ATOM 0 H ASN A 53 7.314 8.080 2.932 1.00 0.89 H new ATOM 0 HA ASN A 53 6.140 8.414 0.243 1.00 0.86 H new ATOM 0 HB2 ASN A 53 5.262 10.350 0.963 1.00 1.08 H new ATOM 0 HB3 ASN A 53 5.177 9.359 2.407 1.00 1.08 H new ATOM 0 HD21 ASN A 53 6.221 12.812 3.336 1.00 1.27 H new ATOM 0 HD22 ASN A 53 4.876 12.122 2.422 1.00 1.27 H new ATOM 370 N GLU A 54 7.877 9.445 -1.027 1.00 0.84 N ATOM 371 CA GLU A 54 8.936 9.971 -1.910 1.00 0.99 C ATOM 372 C GLU A 54 8.719 11.467 -2.215 1.00 0.82 C ATOM 373 O GLU A 54 9.651 12.174 -2.594 1.00 0.95 O ATOM 374 CB GLU A 54 8.970 9.118 -3.195 1.00 1.21 C ATOM 375 CG GLU A 54 10.152 9.384 -4.147 1.00 1.82 C ATOM 376 CD GLU A 54 11.488 8.875 -3.593 1.00 3.10 C ATOM 377 OE1 GLU A 54 11.848 7.693 -3.819 1.00 3.41 O ATOM 378 OE2 GLU A 54 12.210 9.638 -2.908 1.00 4.63 O ATOM 0 H GLU A 54 7.030 9.182 -1.531 1.00 0.84 H new ATOM 0 HA GLU A 54 9.902 9.901 -1.410 1.00 0.99 H new ATOM 0 HB2 GLU A 54 8.988 8.066 -2.910 1.00 1.21 H new ATOM 0 HB3 GLU A 54 8.043 9.284 -3.743 1.00 1.21 H new ATOM 0 HG2 GLU A 54 9.955 8.904 -5.106 1.00 1.82 H new ATOM 0 HG3 GLU A 54 10.227 10.455 -4.336 1.00 1.82 H new ATOM 385 N SER A 55 7.492 11.963 -2.019 1.00 0.62 N ATOM 386 CA SER A 55 7.009 13.319 -2.310 1.00 0.58 C ATOM 387 C SER A 55 7.801 14.512 -1.765 1.00 0.77 C ATOM 388 O SER A 55 7.698 15.597 -2.334 1.00 0.96 O ATOM 389 CB SER A 55 5.571 13.377 -1.828 1.00 0.56 C ATOM 390 OG SER A 55 5.463 13.226 -0.427 1.00 1.66 O ATOM 0 H SER A 55 6.753 11.382 -1.622 1.00 0.62 H new ATOM 0 HA SER A 55 7.134 13.450 -3.385 1.00 0.58 H new ATOM 0 HB2 SER A 55 5.131 14.330 -2.122 1.00 0.56 H new ATOM 0 HB3 SER A 55 4.994 12.594 -2.320 1.00 0.56 H new ATOM 0 HG SER A 55 4.687 12.665 -0.217 1.00 1.66 H new ATOM 396 N GLY A 56 8.691 14.315 -0.788 1.00 0.86 N ATOM 397 CA GLY A 56 9.699 15.321 -0.409 1.00 1.07 C ATOM 398 C GLY A 56 10.745 15.582 -1.513 1.00 1.18 C ATOM 399 O GLY A 56 11.567 16.492 -1.395 1.00 1.35 O ATOM 0 H GLY A 56 8.737 13.458 -0.237 1.00 0.86 H new ATOM 0 HA2 GLY A 56 9.195 16.257 -0.167 1.00 1.07 H new ATOM 0 HA3 GLY A 56 10.210 14.991 0.495 1.00 1.07 H new ATOM 403 N GLY A 57 10.674 14.820 -2.612 1.00 1.19 N ATOM 404 CA GLY A 57 11.365 15.020 -3.885 1.00 1.39 C ATOM 405 C GLY A 57 10.733 16.041 -4.840 1.00 1.50 C ATOM 406 O GLY A 57 11.322 16.305 -5.891 1.00 2.34 O ATOM 0 H GLY A 57 10.087 13.986 -2.632 1.00 1.19 H new ATOM 0 HA2 GLY A 57 12.388 15.333 -3.675 1.00 1.39 H new ATOM 0 HA3 GLY A 57 11.424 14.060 -4.398 1.00 1.39 H new ATOM 410 N HIS A 58 9.561 16.603 -4.521 1.00 1.44 N ATOM 411 CA HIS A 58 8.760 17.415 -5.447 1.00 1.57 C ATOM 412 C HIS A 58 8.402 18.808 -4.898 1.00 1.76 C ATOM 413 O HIS A 58 8.277 19.018 -3.689 1.00 2.20 O ATOM 414 CB HIS A 58 7.513 16.612 -5.855 1.00 1.41 C ATOM 415 CG HIS A 58 7.860 15.419 -6.711 1.00 1.53 C ATOM 416 ND1 HIS A 58 8.097 15.450 -8.065 1.00 1.98 N ATOM 417 CD2 HIS A 58 8.073 14.131 -6.295 1.00 1.43 C ATOM 418 CE1 HIS A 58 8.443 14.215 -8.460 1.00 2.13 C ATOM 419 NE2 HIS A 58 8.465 13.376 -7.407 1.00 1.84 N ATOM 0 H HIS A 58 9.136 16.505 -3.599 1.00 1.44 H new ATOM 0 HA HIS A 58 9.368 17.622 -6.328 1.00 1.57 H new ATOM 0 HB2 HIS A 58 6.990 16.275 -4.960 1.00 1.41 H new ATOM 0 HB3 HIS A 58 6.827 17.261 -6.399 1.00 1.41 H new ATOM 0 HD2 HIS A 58 7.959 13.763 -5.286 1.00 1.43 H new ATOM 0 HE1 HIS A 58 8.671 13.934 -9.478 1.00 2.13 H new ATOM 0 HE2 HIS A 58 8.717 12.388 -7.417 1.00 1.84 H new ATOM 427 N ALA A 59 8.183 19.759 -5.814 1.00 2.18 N ATOM 428 CA ALA A 59 7.811 21.152 -5.537 1.00 2.44 C ATOM 429 C ALA A 59 6.313 21.313 -5.175 1.00 2.24 C ATOM 430 O ALA A 59 5.601 22.161 -5.724 1.00 2.54 O ATOM 431 CB ALA A 59 8.251 22.005 -6.737 1.00 2.87 C ATOM 0 H ALA A 59 8.264 19.570 -6.813 1.00 2.18 H new ATOM 0 HA ALA A 59 8.329 21.503 -4.645 1.00 2.44 H new ATOM 0 HB1 ALA A 59 7.987 23.047 -6.559 1.00 2.87 H new ATOM 0 HB2 ALA A 59 9.330 21.921 -6.867 1.00 2.87 H new ATOM 0 HB3 ALA A 59 7.749 21.652 -7.638 1.00 2.87 H new ATOM 437 N VAL A 60 5.808 20.434 -4.305 1.00 1.86 N ATOM 438 CA VAL A 60 4.391 20.318 -3.919 1.00 1.72 C ATOM 439 C VAL A 60 4.046 21.229 -2.730 1.00 1.92 C ATOM 440 O VAL A 60 4.915 21.481 -1.886 1.00 2.11 O ATOM 441 CB VAL A 60 4.001 18.846 -3.658 1.00 1.43 C ATOM 442 CG1 VAL A 60 4.050 18.057 -4.970 1.00 1.44 C ATOM 443 CG2 VAL A 60 4.871 18.140 -2.609 1.00 1.30 C ATOM 0 H VAL A 60 6.398 19.752 -3.827 1.00 1.86 H new ATOM 0 HA VAL A 60 3.791 20.666 -4.760 1.00 1.72 H new ATOM 0 HB VAL A 60 2.990 18.873 -3.252 1.00 1.43 H new ATOM 0 HG11 VAL A 60 3.774 17.019 -4.781 1.00 1.44 H new ATOM 0 HG12 VAL A 60 3.352 18.494 -5.684 1.00 1.44 H new ATOM 0 HG13 VAL A 60 5.059 18.095 -5.380 1.00 1.44 H new ATOM 0 HG21 VAL A 60 4.530 17.112 -2.486 1.00 1.30 H new ATOM 0 HG22 VAL A 60 5.910 18.141 -2.938 1.00 1.30 H new ATOM 0 HG23 VAL A 60 4.791 18.665 -1.657 1.00 1.30 H new ATOM 453 N PRO A 61 2.806 21.745 -2.628 1.00 1.99 N ATOM 454 CA PRO A 61 2.428 22.736 -1.615 1.00 2.22 C ATOM 455 C PRO A 61 2.513 22.214 -0.163 1.00 2.33 C ATOM 456 O PRO A 61 2.625 21.005 0.065 1.00 2.02 O ATOM 457 CB PRO A 61 1.007 23.180 -1.989 1.00 2.37 C ATOM 458 CG PRO A 61 0.449 22.011 -2.794 1.00 2.53 C ATOM 459 CD PRO A 61 1.683 21.490 -3.523 1.00 2.01 C ATOM 0 HA PRO A 61 3.132 23.568 -1.621 1.00 2.22 H new ATOM 0 HB2 PRO A 61 0.405 23.376 -1.102 1.00 2.37 H new ATOM 0 HB3 PRO A 61 1.018 24.098 -2.576 1.00 2.37 H new ATOM 0 HG2 PRO A 61 0.007 21.250 -2.151 1.00 2.53 H new ATOM 0 HG3 PRO A 61 -0.327 22.331 -3.489 1.00 2.53 H new ATOM 0 HD2 PRO A 61 1.589 20.426 -3.741 1.00 2.01 H new ATOM 0 HD3 PRO A 61 1.819 22.000 -4.477 1.00 2.01 H new ATOM 467 N PRO A 62 2.457 23.099 0.850 1.00 2.85 N ATOM 468 CA PRO A 62 2.383 22.700 2.256 1.00 3.20 C ATOM 469 C PRO A 62 1.174 21.804 2.550 1.00 3.10 C ATOM 470 O PRO A 62 0.086 22.008 2.000 1.00 3.15 O ATOM 471 CB PRO A 62 2.338 24.005 3.056 1.00 3.84 C ATOM 472 CG PRO A 62 3.071 24.973 2.131 1.00 3.01 C ATOM 473 CD PRO A 62 2.581 24.545 0.753 1.00 3.10 C ATOM 0 HA PRO A 62 3.245 22.093 2.533 1.00 3.20 H new ATOM 0 HB2 PRO A 62 1.316 24.326 3.254 1.00 3.84 H new ATOM 0 HB3 PRO A 62 2.835 23.909 4.021 1.00 3.84 H new ATOM 0 HG2 PRO A 62 2.819 26.011 2.347 1.00 3.01 H new ATOM 0 HG3 PRO A 62 4.153 24.882 2.223 1.00 3.01 H new ATOM 0 HD2 PRO A 62 1.627 25.011 0.508 1.00 3.10 H new ATOM 0 HD3 PRO A 62 3.286 24.833 -0.027 1.00 3.10 H new ATOM 481 N GLY A 63 1.369 20.792 3.401 1.00 3.14 N ATOM 482 CA GLY A 63 0.365 19.760 3.693 1.00 3.08 C ATOM 483 C GLY A 63 0.183 18.710 2.585 1.00 2.44 C ATOM 484 O GLY A 63 -0.713 17.868 2.688 1.00 2.48 O ATOM 0 H GLY A 63 2.241 20.663 3.915 1.00 3.14 H new ATOM 0 HA2 GLY A 63 0.645 19.251 4.615 1.00 3.08 H new ATOM 0 HA3 GLY A 63 -0.593 20.246 3.875 1.00 3.08 H new ATOM 488 N SER A 64 1.005 18.753 1.529 1.00 1.96 N ATOM 489 CA SER A 64 0.975 17.819 0.401 1.00 1.43 C ATOM 490 C SER A 64 1.991 16.680 0.547 1.00 1.10 C ATOM 491 O SER A 64 3.179 16.903 0.812 1.00 1.34 O ATOM 492 CB SER A 64 1.204 18.583 -0.901 1.00 1.35 C ATOM 493 OG SER A 64 0.621 17.891 -1.978 1.00 1.88 O ATOM 0 H SER A 64 1.732 19.462 1.435 1.00 1.96 H new ATOM 0 HA SER A 64 -0.010 17.352 0.386 1.00 1.43 H new ATOM 0 HB2 SER A 64 0.774 19.582 -0.826 1.00 1.35 H new ATOM 0 HB3 SER A 64 2.273 18.708 -1.075 1.00 1.35 H new ATOM 0 HG SER A 64 0.772 18.390 -2.808 1.00 1.88 H new ATOM 499 N GLU A 65 1.518 15.454 0.339 1.00 0.92 N ATOM 500 CA GLU A 65 2.271 14.189 0.366 1.00 0.86 C ATOM 501 C GLU A 65 1.793 13.318 -0.816 1.00 0.88 C ATOM 502 O GLU A 65 1.085 12.326 -0.656 1.00 1.23 O ATOM 503 CB GLU A 65 2.099 13.489 1.727 1.00 1.25 C ATOM 504 CG GLU A 65 2.819 14.218 2.870 1.00 1.48 C ATOM 505 CD GLU A 65 2.624 13.487 4.201 1.00 1.85 C ATOM 506 OE1 GLU A 65 3.581 12.823 4.677 1.00 3.33 O ATOM 507 OE2 GLU A 65 1.516 13.587 4.770 1.00 1.81 O ATOM 0 H GLU A 65 0.531 15.300 0.132 1.00 0.92 H new ATOM 0 HA GLU A 65 3.339 14.372 0.252 1.00 0.86 H new ATOM 0 HB2 GLU A 65 1.037 13.417 1.961 1.00 1.25 H new ATOM 0 HB3 GLU A 65 2.480 12.470 1.656 1.00 1.25 H new ATOM 0 HG2 GLU A 65 3.883 14.292 2.645 1.00 1.48 H new ATOM 0 HG3 GLU A 65 2.439 15.236 2.952 1.00 1.48 H new ATOM 514 N THR A 66 2.112 13.749 -2.040 1.00 0.68 N ATOM 515 CA THR A 66 1.466 13.299 -3.291 1.00 0.79 C ATOM 516 C THR A 66 1.887 11.905 -3.757 1.00 0.71 C ATOM 517 O THR A 66 1.234 11.311 -4.619 1.00 0.88 O ATOM 518 CB THR A 66 1.813 14.269 -4.435 1.00 0.86 C ATOM 519 OG1 THR A 66 3.214 14.327 -4.598 1.00 1.14 O ATOM 520 CG2 THR A 66 1.337 15.695 -4.203 1.00 1.02 C ATOM 0 H THR A 66 2.846 14.439 -2.200 1.00 0.68 H new ATOM 0 HA THR A 66 0.401 13.273 -3.062 1.00 0.79 H new ATOM 0 HB THR A 66 1.301 13.876 -5.314 1.00 0.86 H new ATOM 0 HG1 THR A 66 3.433 14.943 -5.328 1.00 1.14 H new ATOM 0 HG21 THR A 66 1.620 16.316 -5.053 1.00 1.02 H new ATOM 0 HG22 THR A 66 0.253 15.703 -4.093 1.00 1.02 H new ATOM 0 HG23 THR A 66 1.797 16.089 -3.297 1.00 1.02 H new ATOM 528 N HIS A 67 3.016 11.421 -3.241 1.00 0.52 N ATOM 529 CA HIS A 67 3.892 10.460 -3.920 1.00 0.47 C ATOM 530 C HIS A 67 4.425 9.399 -2.940 1.00 0.46 C ATOM 531 O HIS A 67 5.107 9.752 -1.970 1.00 0.56 O ATOM 532 CB HIS A 67 5.047 11.270 -4.548 1.00 0.55 C ATOM 533 CG HIS A 67 5.118 11.253 -6.046 1.00 0.88 C ATOM 534 ND1 HIS A 67 4.051 11.517 -6.848 1.00 1.38 N flip ATOM 535 CD2 HIS A 67 6.235 11.250 -6.851 1.00 1.01 C flip ATOM 536 CE1 HIS A 67 4.504 11.646 -8.168 1.00 1.62 C flip ATOM 537 NE2 HIS A 67 5.838 11.480 -8.115 1.00 1.39 N flip ATOM 0 H HIS A 67 3.357 11.691 -2.318 1.00 0.52 H new ATOM 0 HA HIS A 67 3.341 9.916 -4.688 1.00 0.47 H new ATOM 0 HB2 HIS A 67 4.960 12.306 -4.219 1.00 0.55 H new ATOM 0 HB3 HIS A 67 5.989 10.889 -4.154 1.00 0.55 H new ATOM 0 HD2 HIS A 67 7.252 11.091 -6.524 1.00 1.01 H new ATOM 0 HE1 HIS A 67 3.906 11.839 -9.046 1.00 1.62 H new ATOM 0 HE2 HIS A 67 6.461 11.523 -8.921 1.00 1.39 H new ATOM 545 N PHE A 68 4.160 8.107 -3.189 1.00 0.49 N ATOM 546 CA PHE A 68 4.249 7.095 -2.124 1.00 0.58 C ATOM 547 C PHE A 68 4.637 5.654 -2.553 1.00 0.49 C ATOM 548 O PHE A 68 4.429 5.205 -3.691 1.00 0.54 O ATOM 549 CB PHE A 68 2.903 7.126 -1.369 1.00 0.79 C ATOM 550 CG PHE A 68 2.938 6.567 0.033 1.00 1.07 C ATOM 551 CD1 PHE A 68 3.484 7.339 1.075 1.00 2.14 C ATOM 552 CD2 PHE A 68 2.398 5.301 0.304 1.00 2.05 C ATOM 553 CE1 PHE A 68 3.537 6.828 2.386 1.00 2.41 C ATOM 554 CE2 PHE A 68 2.420 4.805 1.618 1.00 2.46 C ATOM 555 CZ PHE A 68 2.993 5.566 2.646 1.00 2.05 C ATOM 0 H PHE A 68 3.887 7.742 -4.102 1.00 0.49 H new ATOM 0 HA PHE A 68 5.094 7.368 -1.492 1.00 0.58 H new ATOM 0 HB2 PHE A 68 2.555 8.158 -1.323 1.00 0.79 H new ATOM 0 HB3 PHE A 68 2.168 6.567 -1.947 1.00 0.79 H new ATOM 0 HD1 PHE A 68 3.864 8.328 0.868 1.00 2.14 H new ATOM 0 HD2 PHE A 68 1.968 4.712 -0.492 1.00 2.05 H new ATOM 0 HE1 PHE A 68 3.991 7.403 3.180 1.00 2.41 H new ATOM 0 HE2 PHE A 68 1.995 3.836 1.836 1.00 2.46 H new ATOM 0 HZ PHE A 68 3.015 5.173 3.652 1.00 2.05 H new ATOM 565 N ARG A 69 5.179 4.897 -1.592 1.00 0.50 N ATOM 566 CA ARG A 69 5.571 3.484 -1.697 1.00 0.49 C ATOM 567 C ARG A 69 5.064 2.691 -0.496 1.00 0.46 C ATOM 568 O ARG A 69 5.162 3.150 0.639 1.00 0.53 O ATOM 569 CB ARG A 69 7.107 3.377 -1.787 1.00 0.58 C ATOM 570 CG ARG A 69 7.604 2.999 -3.188 1.00 1.07 C ATOM 571 CD ARG A 69 7.238 1.586 -3.668 1.00 1.64 C ATOM 572 NE ARG A 69 7.580 0.532 -2.696 1.00 3.22 N ATOM 573 CZ ARG A 69 7.924 -0.712 -2.966 1.00 4.39 C ATOM 574 NH1 ARG A 69 8.065 -1.183 -4.171 1.00 4.50 N ATOM 575 NH2 ARG A 69 8.148 -1.533 -1.989 1.00 6.01 N ATOM 0 H ARG A 69 5.368 5.276 -0.664 1.00 0.50 H new ATOM 0 HA ARG A 69 5.124 3.065 -2.598 1.00 0.49 H new ATOM 0 HB2 ARG A 69 7.549 4.330 -1.496 1.00 0.58 H new ATOM 0 HB3 ARG A 69 7.456 2.632 -1.071 1.00 0.58 H new ATOM 0 HG2 ARG A 69 7.204 3.720 -3.902 1.00 1.07 H new ATOM 0 HG3 ARG A 69 8.689 3.099 -3.207 1.00 1.07 H new ATOM 0 HD2 ARG A 69 6.169 1.546 -3.875 1.00 1.64 H new ATOM 0 HD3 ARG A 69 7.752 1.385 -4.608 1.00 1.64 H new ATOM 0 HE ARG A 69 7.547 0.792 -1.710 1.00 3.22 H new ATOM 0 HH11 ARG A 69 7.907 -0.578 -4.977 1.00 4.50 H new ATOM 0 HH12 ARG A 69 8.334 -2.157 -4.310 1.00 4.50 H new ATOM 0 HH21 ARG A 69 8.058 -1.214 -1.024 1.00 6.01 H new ATOM 0 HH22 ARG A 69 8.415 -2.498 -2.185 1.00 6.01 H new ATOM 589 N VAL A 70 4.571 1.481 -0.746 1.00 0.47 N ATOM 590 CA VAL A 70 4.081 0.537 0.273 1.00 0.47 C ATOM 591 C VAL A 70 4.636 -0.864 0.052 1.00 0.47 C ATOM 592 O VAL A 70 4.663 -1.370 -1.069 1.00 0.51 O ATOM 593 CB VAL A 70 2.536 0.398 0.312 1.00 0.55 C ATOM 594 CG1 VAL A 70 2.073 0.206 1.766 1.00 0.61 C ATOM 595 CG2 VAL A 70 1.757 1.561 -0.311 1.00 0.84 C ATOM 0 H VAL A 70 4.496 1.111 -1.694 1.00 0.47 H new ATOM 0 HA VAL A 70 4.427 0.964 1.214 1.00 0.47 H new ATOM 0 HB VAL A 70 2.312 -0.472 -0.305 1.00 0.55 H new ATOM 0 HG11 VAL A 70 0.988 0.108 1.792 1.00 0.61 H new ATOM 0 HG12 VAL A 70 2.528 -0.695 2.177 1.00 0.61 H new ATOM 0 HG13 VAL A 70 2.374 1.068 2.361 1.00 0.61 H new ATOM 0 HG21 VAL A 70 0.687 1.366 -0.233 1.00 0.84 H new ATOM 0 HG22 VAL A 70 1.997 2.484 0.217 1.00 0.84 H new ATOM 0 HG23 VAL A 70 2.031 1.662 -1.361 1.00 0.84 H new ATOM 605 N ALA A 71 4.925 -1.544 1.151 1.00 0.49 N ATOM 606 CA ALA A 71 4.953 -3.000 1.221 1.00 0.51 C ATOM 607 C ALA A 71 4.052 -3.494 2.336 1.00 0.54 C ATOM 608 O ALA A 71 3.903 -2.843 3.371 1.00 0.55 O ATOM 609 CB ALA A 71 6.394 -3.517 1.347 1.00 0.81 C ATOM 0 H ALA A 71 5.151 -1.092 2.037 1.00 0.49 H new ATOM 0 HA ALA A 71 4.560 -3.407 0.289 1.00 0.51 H new ATOM 0 HB1 ALA A 71 6.387 -4.606 1.397 1.00 0.81 H new ATOM 0 HB2 ALA A 71 6.972 -3.198 0.480 1.00 0.81 H new ATOM 0 HB3 ALA A 71 6.847 -3.115 2.253 1.00 0.81 H new ATOM 615 N VAL A 72 3.403 -4.627 2.083 1.00 0.78 N ATOM 616 CA VAL A 72 2.334 -5.145 2.894 1.00 0.91 C ATOM 617 C VAL A 72 2.411 -6.672 2.935 1.00 0.97 C ATOM 618 O VAL A 72 2.590 -7.323 1.909 1.00 1.02 O ATOM 619 CB VAL A 72 0.999 -4.629 2.317 1.00 0.94 C ATOM 620 CG1 VAL A 72 0.702 -4.951 0.855 1.00 2.30 C ATOM 621 CG2 VAL A 72 -0.095 -5.172 3.180 1.00 2.65 C ATOM 0 H VAL A 72 3.622 -5.219 1.282 1.00 0.78 H new ATOM 0 HA VAL A 72 2.415 -4.801 3.925 1.00 0.91 H new ATOM 0 HB VAL A 72 1.072 -3.541 2.325 1.00 0.94 H new ATOM 0 HG11 VAL A 72 -0.265 -4.531 0.579 1.00 2.30 H new ATOM 0 HG12 VAL A 72 1.478 -4.521 0.223 1.00 2.30 H new ATOM 0 HG13 VAL A 72 0.680 -6.032 0.718 1.00 2.30 H new ATOM 0 HG21 VAL A 72 -1.059 -4.829 2.804 1.00 2.65 H new ATOM 0 HG22 VAL A 72 -0.065 -6.261 3.162 1.00 2.65 H new ATOM 0 HG23 VAL A 72 0.041 -4.822 4.203 1.00 2.65 H new ATOM 631 N VAL A 73 2.170 -7.243 4.112 1.00 0.92 N ATOM 632 CA VAL A 73 1.811 -8.650 4.305 1.00 0.78 C ATOM 633 C VAL A 73 0.379 -8.736 4.815 1.00 0.57 C ATOM 634 O VAL A 73 0.042 -8.094 5.819 1.00 0.62 O ATOM 635 CB VAL A 73 2.736 -9.353 5.301 1.00 1.28 C ATOM 636 CG1 VAL A 73 2.316 -10.796 5.579 1.00 1.51 C ATOM 637 CG2 VAL A 73 4.184 -9.425 4.826 1.00 1.87 C ATOM 0 H VAL A 73 2.220 -6.724 4.989 1.00 0.92 H new ATOM 0 HA VAL A 73 1.914 -9.151 3.342 1.00 0.78 H new ATOM 0 HB VAL A 73 2.656 -8.741 6.199 1.00 1.28 H new ATOM 0 HG11 VAL A 73 3.007 -11.245 6.292 1.00 1.51 H new ATOM 0 HG12 VAL A 73 1.308 -10.808 5.994 1.00 1.51 H new ATOM 0 HG13 VAL A 73 2.332 -11.365 4.650 1.00 1.51 H new ATOM 0 HG21 VAL A 73 4.788 -9.935 5.577 1.00 1.87 H new ATOM 0 HG22 VAL A 73 4.232 -9.976 3.887 1.00 1.87 H new ATOM 0 HG23 VAL A 73 4.568 -8.416 4.675 1.00 1.87 H new ATOM 647 N SER A 74 -0.432 -9.581 4.170 1.00 0.64 N ATOM 648 CA SER A 74 -1.771 -9.945 4.662 1.00 0.77 C ATOM 649 C SER A 74 -2.165 -11.370 4.260 1.00 0.87 C ATOM 650 O SER A 74 -1.861 -11.830 3.159 1.00 0.84 O ATOM 651 CB SER A 74 -2.830 -8.941 4.175 1.00 0.79 C ATOM 652 OG SER A 74 -4.108 -9.326 4.660 1.00 0.96 O ATOM 0 H SER A 74 -0.181 -10.034 3.291 1.00 0.64 H new ATOM 0 HA SER A 74 -1.728 -9.909 5.751 1.00 0.77 H new ATOM 0 HB2 SER A 74 -2.584 -7.938 4.525 1.00 0.79 H new ATOM 0 HB3 SER A 74 -2.839 -8.905 3.086 1.00 0.79 H new ATOM 0 HG SER A 74 -4.706 -8.549 4.659 1.00 0.96 H new ATOM 658 N SER A 75 -2.924 -12.043 5.128 1.00 1.06 N ATOM 659 CA SER A 75 -3.602 -13.319 4.836 1.00 1.26 C ATOM 660 C SER A 75 -4.656 -13.205 3.720 1.00 1.28 C ATOM 661 O SER A 75 -5.101 -14.215 3.175 1.00 1.50 O ATOM 662 CB SER A 75 -4.241 -13.880 6.114 1.00 1.50 C ATOM 663 OG SER A 75 -5.150 -12.952 6.686 1.00 2.63 O ATOM 0 H SER A 75 -3.091 -11.712 6.078 1.00 1.06 H new ATOM 0 HA SER A 75 -2.837 -14.004 4.471 1.00 1.26 H new ATOM 0 HB2 SER A 75 -4.763 -14.809 5.885 1.00 1.50 H new ATOM 0 HB3 SER A 75 -3.462 -14.122 6.837 1.00 1.50 H new ATOM 0 HG SER A 75 -5.543 -13.337 7.497 1.00 2.63 H new ATOM 669 N ARG A 76 -5.028 -11.982 3.314 1.00 1.15 N ATOM 670 CA ARG A 76 -5.954 -11.705 2.200 1.00 1.19 C ATOM 671 C ARG A 76 -5.326 -11.797 0.800 1.00 1.11 C ATOM 672 O ARG A 76 -6.031 -11.610 -0.195 1.00 1.43 O ATOM 673 CB ARG A 76 -6.628 -10.351 2.436 1.00 1.23 C ATOM 674 CG ARG A 76 -8.128 -10.451 2.126 1.00 1.83 C ATOM 675 CD ARG A 76 -8.759 -9.137 2.547 1.00 2.07 C ATOM 676 NE ARG A 76 -10.229 -9.188 2.537 1.00 2.94 N ATOM 677 CZ ARG A 76 -11.008 -9.438 3.576 1.00 3.05 C ATOM 678 NH1 ARG A 76 -10.549 -9.807 4.741 1.00 2.83 N ATOM 679 NH2 ARG A 76 -12.291 -9.300 3.461 1.00 4.11 N ATOM 0 H ARG A 76 -4.685 -11.133 3.763 1.00 1.15 H new ATOM 0 HA ARG A 76 -6.699 -12.501 2.202 1.00 1.19 H new ATOM 0 HB2 ARG A 76 -6.482 -10.038 3.470 1.00 1.23 H new ATOM 0 HB3 ARG A 76 -6.167 -9.591 1.805 1.00 1.23 H new ATOM 0 HG2 ARG A 76 -8.290 -10.633 1.064 1.00 1.83 H new ATOM 0 HG3 ARG A 76 -8.578 -11.285 2.665 1.00 1.83 H new ATOM 0 HD2 ARG A 76 -8.415 -8.877 3.548 1.00 2.07 H new ATOM 0 HD3 ARG A 76 -8.422 -8.345 1.878 1.00 2.07 H new ATOM 0 HE ARG A 76 -10.691 -9.014 1.644 1.00 2.94 H new ATOM 0 HH11 ARG A 76 -9.545 -9.915 4.883 1.00 2.83 H new ATOM 0 HH12 ARG A 76 -11.195 -9.987 5.510 1.00 2.83 H new ATOM 0 HH21 ARG A 76 -12.694 -9.000 2.573 1.00 4.11 H new ATOM 0 HH22 ARG A 76 -12.898 -9.491 4.258 1.00 4.11 H new ATOM 693 N PHE A 77 -4.018 -12.054 0.711 1.00 0.81 N ATOM 694 CA PHE A 77 -3.237 -12.058 -0.523 1.00 0.76 C ATOM 695 C PHE A 77 -2.818 -13.466 -0.983 1.00 0.81 C ATOM 696 O PHE A 77 -2.145 -13.577 -2.011 1.00 0.89 O ATOM 697 CB PHE A 77 -2.020 -11.143 -0.318 1.00 0.70 C ATOM 698 CG PHE A 77 -2.276 -9.642 -0.213 1.00 0.66 C ATOM 699 CD1 PHE A 77 -1.541 -8.872 0.711 1.00 1.59 C ATOM 700 CD2 PHE A 77 -3.179 -8.990 -1.080 1.00 1.61 C ATOM 701 CE1 PHE A 77 -1.712 -7.475 0.773 1.00 1.60 C ATOM 702 CE2 PHE A 77 -3.350 -7.594 -1.013 1.00 1.80 C ATOM 703 CZ PHE A 77 -2.608 -6.834 -0.093 1.00 1.06 C ATOM 0 H PHE A 77 -3.454 -12.274 1.532 1.00 0.81 H new ATOM 0 HA PHE A 77 -3.866 -11.682 -1.330 1.00 0.76 H new ATOM 0 HB2 PHE A 77 -1.509 -11.461 0.591 1.00 0.70 H new ATOM 0 HB3 PHE A 77 -1.331 -11.309 -1.146 1.00 0.70 H new ATOM 0 HD1 PHE A 77 -0.842 -9.357 1.376 1.00 1.59 H new ATOM 0 HD2 PHE A 77 -3.742 -9.566 -1.799 1.00 1.61 H new ATOM 0 HE1 PHE A 77 -1.150 -6.896 1.491 1.00 1.60 H new ATOM 0 HE2 PHE A 77 -4.054 -7.106 -1.671 1.00 1.80 H new ATOM 0 HZ PHE A 77 -2.728 -5.761 -0.054 1.00 1.06 H new ATOM 713 N GLU A 78 -3.182 -14.534 -0.261 1.00 0.90 N ATOM 714 CA GLU A 78 -3.133 -15.905 -0.752 1.00 1.06 C ATOM 715 C GLU A 78 -4.383 -16.393 -1.514 1.00 1.50 C ATOM 716 O GLU A 78 -5.485 -15.873 -1.328 1.00 1.77 O ATOM 717 CB GLU A 78 -2.675 -16.843 0.372 1.00 1.09 C ATOM 718 CG GLU A 78 -3.677 -17.162 1.497 1.00 1.43 C ATOM 719 CD GLU A 78 -3.120 -18.230 2.462 1.00 1.57 C ATOM 720 OE1 GLU A 78 -3.183 -18.051 3.704 1.00 2.69 O ATOM 721 OE2 GLU A 78 -2.595 -19.268 1.987 1.00 1.83 O ATOM 0 H GLU A 78 -3.524 -14.461 0.697 1.00 0.90 H new ATOM 0 HA GLU A 78 -2.384 -15.923 -1.544 1.00 1.06 H new ATOM 0 HB2 GLU A 78 -2.371 -17.786 -0.082 1.00 1.09 H new ATOM 0 HB3 GLU A 78 -1.786 -16.408 0.829 1.00 1.09 H new ATOM 0 HG2 GLU A 78 -3.905 -16.252 2.052 1.00 1.43 H new ATOM 0 HG3 GLU A 78 -4.613 -17.514 1.063 1.00 1.43 H new ATOM 728 N GLY A 79 -4.199 -17.386 -2.392 1.00 1.80 N ATOM 729 CA GLY A 79 -5.211 -17.891 -3.339 1.00 2.26 C ATOM 730 C GLY A 79 -5.070 -17.328 -4.762 1.00 1.91 C ATOM 731 O GLY A 79 -6.013 -17.375 -5.553 1.00 2.65 O ATOM 0 H GLY A 79 -3.310 -17.881 -2.469 1.00 1.80 H new ATOM 0 HA2 GLY A 79 -5.144 -18.978 -3.381 1.00 2.26 H new ATOM 0 HA3 GLY A 79 -6.203 -17.647 -2.959 1.00 2.26 H new ATOM 735 N LEU A 80 -3.924 -16.707 -5.053 1.00 1.08 N ATOM 736 CA LEU A 80 -3.711 -15.710 -6.105 1.00 1.04 C ATOM 737 C LEU A 80 -2.289 -15.832 -6.691 1.00 1.00 C ATOM 738 O LEU A 80 -1.346 -16.107 -5.942 1.00 1.16 O ATOM 739 CB LEU A 80 -3.832 -14.324 -5.437 1.00 1.33 C ATOM 740 CG LEU A 80 -5.205 -13.964 -4.835 1.00 1.13 C ATOM 741 CD1 LEU A 80 -5.073 -13.247 -3.494 1.00 2.05 C ATOM 742 CD2 LEU A 80 -5.997 -13.074 -5.773 1.00 1.52 C ATOM 0 H LEU A 80 -3.070 -16.898 -4.530 1.00 1.08 H new ATOM 0 HA LEU A 80 -4.436 -15.854 -6.906 1.00 1.04 H new ATOM 0 HB2 LEU A 80 -3.086 -14.262 -4.645 1.00 1.33 H new ATOM 0 HB3 LEU A 80 -3.575 -13.566 -6.177 1.00 1.33 H new ATOM 0 HG LEU A 80 -5.727 -14.909 -4.685 1.00 1.13 H new ATOM 0 HD11 LEU A 80 -6.065 -13.013 -3.107 1.00 2.05 H new ATOM 0 HD12 LEU A 80 -4.551 -13.891 -2.787 1.00 2.05 H new ATOM 0 HD13 LEU A 80 -4.509 -12.324 -3.629 1.00 2.05 H new ATOM 0 HD21 LEU A 80 -6.961 -12.836 -5.322 1.00 1.52 H new ATOM 0 HD22 LEU A 80 -5.444 -12.152 -5.954 1.00 1.52 H new ATOM 0 HD23 LEU A 80 -6.157 -13.593 -6.718 1.00 1.52 H new ATOM 754 N SER A 81 -2.112 -15.511 -7.978 1.00 0.98 N ATOM 755 CA SER A 81 -0.804 -15.105 -8.537 1.00 1.09 C ATOM 756 C SER A 81 -0.389 -13.718 -7.998 1.00 1.08 C ATOM 757 O SER A 81 -1.269 -12.906 -7.688 1.00 1.00 O ATOM 758 CB SER A 81 -0.832 -15.146 -10.082 1.00 1.17 C ATOM 759 OG SER A 81 -0.206 -14.026 -10.700 1.00 1.49 O ATOM 0 H SER A 81 -2.866 -15.523 -8.665 1.00 0.98 H new ATOM 0 HA SER A 81 -0.047 -15.818 -8.211 1.00 1.09 H new ATOM 0 HB2 SER A 81 -0.340 -16.058 -10.421 1.00 1.17 H new ATOM 0 HB3 SER A 81 -1.868 -15.201 -10.416 1.00 1.17 H new ATOM 0 HG SER A 81 -0.259 -14.118 -11.674 1.00 1.49 H new ATOM 765 N PRO A 82 0.919 -13.391 -7.907 1.00 1.25 N ATOM 766 CA PRO A 82 1.382 -12.065 -7.486 1.00 1.30 C ATOM 767 C PRO A 82 0.876 -10.936 -8.407 1.00 1.20 C ATOM 768 O PRO A 82 0.363 -9.919 -7.928 1.00 1.10 O ATOM 769 CB PRO A 82 2.911 -12.165 -7.444 1.00 1.60 C ATOM 770 CG PRO A 82 3.242 -13.308 -8.404 1.00 1.45 C ATOM 771 CD PRO A 82 2.053 -14.249 -8.228 1.00 1.39 C ATOM 0 HA PRO A 82 0.979 -11.794 -6.510 1.00 1.30 H new ATOM 0 HB2 PRO A 82 3.379 -11.233 -7.759 1.00 1.60 H new ATOM 0 HB3 PRO A 82 3.268 -12.376 -6.436 1.00 1.60 H new ATOM 0 HG2 PRO A 82 3.334 -12.959 -9.433 1.00 1.45 H new ATOM 0 HG3 PRO A 82 4.184 -13.793 -8.147 1.00 1.45 H new ATOM 0 HD2 PRO A 82 1.867 -14.820 -9.137 1.00 1.39 H new ATOM 0 HD3 PRO A 82 2.238 -14.969 -7.431 1.00 1.39 H new ATOM 779 N LEU A 83 0.916 -11.145 -9.729 1.00 1.28 N ATOM 780 CA LEU A 83 0.373 -10.204 -10.716 1.00 1.28 C ATOM 781 C LEU A 83 -1.158 -10.106 -10.613 1.00 1.13 C ATOM 782 O LEU A 83 -1.703 -9.004 -10.610 1.00 1.11 O ATOM 783 CB LEU A 83 0.842 -10.633 -12.121 1.00 1.51 C ATOM 784 CG LEU A 83 0.292 -9.775 -13.281 1.00 1.94 C ATOM 785 CD1 LEU A 83 0.684 -8.300 -13.169 1.00 2.61 C ATOM 786 CD2 LEU A 83 0.826 -10.309 -14.609 1.00 2.82 C ATOM 0 H LEU A 83 1.329 -11.979 -10.147 1.00 1.28 H new ATOM 0 HA LEU A 83 0.750 -9.201 -10.515 1.00 1.28 H new ATOM 0 HB2 LEU A 83 1.931 -10.601 -12.150 1.00 1.51 H new ATOM 0 HB3 LEU A 83 0.549 -11.670 -12.285 1.00 1.51 H new ATOM 0 HG LEU A 83 -0.795 -9.841 -13.230 1.00 1.94 H new ATOM 0 HD11 LEU A 83 0.269 -7.748 -14.012 1.00 2.61 H new ATOM 0 HD12 LEU A 83 0.293 -7.889 -12.238 1.00 2.61 H new ATOM 0 HD13 LEU A 83 1.770 -8.211 -13.177 1.00 2.61 H new ATOM 0 HD21 LEU A 83 0.437 -9.703 -15.427 1.00 2.82 H new ATOM 0 HD22 LEU A 83 1.915 -10.263 -14.608 1.00 2.82 H new ATOM 0 HD23 LEU A 83 0.507 -11.343 -14.740 1.00 2.82 H new ATOM 798 N GLN A 84 -1.842 -11.245 -10.454 1.00 1.09 N ATOM 799 CA GLN A 84 -3.298 -11.316 -10.270 1.00 1.02 C ATOM 800 C GLN A 84 -3.756 -10.481 -9.060 1.00 0.94 C ATOM 801 O GLN A 84 -4.653 -9.640 -9.199 1.00 1.03 O ATOM 802 CB GLN A 84 -3.679 -12.802 -10.134 1.00 1.00 C ATOM 803 CG GLN A 84 -5.160 -13.104 -9.855 1.00 0.95 C ATOM 804 CD GLN A 84 -5.400 -14.588 -9.560 1.00 1.17 C ATOM 805 OE1 GLN A 84 -4.542 -15.448 -9.739 1.00 1.96 O ATOM 806 NE2 GLN A 84 -6.568 -14.949 -9.091 1.00 1.10 N ATOM 0 H GLN A 84 -1.392 -12.160 -10.449 1.00 1.09 H new ATOM 0 HA GLN A 84 -3.811 -10.886 -11.130 1.00 1.02 H new ATOM 0 HB2 GLN A 84 -3.393 -13.314 -11.053 1.00 1.00 H new ATOM 0 HB3 GLN A 84 -3.084 -13.235 -9.330 1.00 1.00 H new ATOM 0 HG2 GLN A 84 -5.498 -12.507 -9.008 1.00 0.95 H new ATOM 0 HG3 GLN A 84 -5.759 -12.804 -10.715 1.00 0.95 H new ATOM 0 HE21 GLN A 84 -7.294 -14.249 -8.936 1.00 1.10 H new ATOM 0 HE22 GLN A 84 -6.752 -15.930 -8.881 1.00 1.10 H new ATOM 815 N ARG A 85 -3.116 -10.656 -7.890 1.00 0.90 N ATOM 816 CA ARG A 85 -3.450 -9.892 -6.673 1.00 0.91 C ATOM 817 C ARG A 85 -3.103 -8.415 -6.784 1.00 0.88 C ATOM 818 O ARG A 85 -3.921 -7.606 -6.359 1.00 0.93 O ATOM 819 CB ARG A 85 -2.860 -10.513 -5.398 1.00 1.08 C ATOM 820 CG ARG A 85 -1.331 -10.495 -5.299 1.00 1.31 C ATOM 821 CD ARG A 85 -0.907 -11.194 -4.005 1.00 2.20 C ATOM 822 NE ARG A 85 0.551 -11.372 -3.925 1.00 3.30 N ATOM 823 CZ ARG A 85 1.214 -12.387 -3.401 1.00 4.67 C ATOM 824 NH1 ARG A 85 0.642 -13.406 -2.827 1.00 5.30 N ATOM 825 NH2 ARG A 85 2.510 -12.411 -3.434 1.00 5.93 N ATOM 0 H ARG A 85 -2.358 -11.326 -7.761 1.00 0.90 H new ATOM 0 HA ARG A 85 -4.535 -9.955 -6.585 1.00 0.91 H new ATOM 0 HB2 ARG A 85 -3.268 -9.985 -4.536 1.00 1.08 H new ATOM 0 HB3 ARG A 85 -3.199 -11.547 -5.329 1.00 1.08 H new ATOM 0 HG2 ARG A 85 -0.892 -10.999 -6.160 1.00 1.31 H new ATOM 0 HG3 ARG A 85 -0.965 -9.468 -5.310 1.00 1.31 H new ATOM 0 HD2 ARG A 85 -1.248 -10.611 -3.150 1.00 2.20 H new ATOM 0 HD3 ARG A 85 -1.395 -12.167 -3.942 1.00 2.20 H new ATOM 0 HE ARG A 85 1.117 -10.622 -4.321 1.00 3.30 H new ATOM 0 HH11 ARG A 85 -0.375 -13.451 -2.763 1.00 5.30 H new ATOM 0 HH12 ARG A 85 1.211 -14.160 -2.441 1.00 5.30 H new ATOM 0 HH21 ARG A 85 3.023 -11.643 -3.866 1.00 5.93 H new ATOM 0 HH22 ARG A 85 3.016 -13.198 -3.027 1.00 5.93 H new ATOM 839 N HIS A 86 -1.955 -8.064 -7.374 1.00 0.88 N ATOM 840 CA HIS A 86 -1.582 -6.678 -7.673 1.00 0.87 C ATOM 841 C HIS A 86 -2.638 -5.989 -8.549 1.00 0.92 C ATOM 842 O HIS A 86 -3.238 -5.007 -8.112 1.00 0.94 O ATOM 843 CB HIS A 86 -0.196 -6.674 -8.337 1.00 0.97 C ATOM 844 CG HIS A 86 0.951 -6.462 -7.385 1.00 0.93 C ATOM 845 ND1 HIS A 86 2.109 -5.777 -7.666 1.00 1.07 N ATOM 846 CD2 HIS A 86 1.061 -6.926 -6.103 1.00 0.98 C ATOM 847 CE1 HIS A 86 2.889 -5.801 -6.573 1.00 0.96 C ATOM 848 NE2 HIS A 86 2.302 -6.521 -5.596 1.00 0.97 N ATOM 0 H HIS A 86 -1.250 -8.743 -7.661 1.00 0.88 H new ATOM 0 HA HIS A 86 -1.535 -6.105 -6.747 1.00 0.87 H new ATOM 0 HB2 HIS A 86 -0.052 -7.623 -8.854 1.00 0.97 H new ATOM 0 HB3 HIS A 86 -0.172 -5.891 -9.095 1.00 0.97 H new ATOM 0 HD1 HIS A 86 2.337 -5.327 -8.553 1.00 1.07 H new ATOM 0 HD2 HIS A 86 0.319 -7.505 -5.573 1.00 0.98 H new ATOM 0 HE1 HIS A 86 3.849 -5.313 -6.489 1.00 0.96 H new ATOM 856 N ARG A 87 -2.970 -6.562 -9.716 1.00 1.01 N ATOM 857 CA ARG A 87 -4.060 -6.084 -10.589 1.00 1.15 C ATOM 858 C ARG A 87 -5.394 -5.975 -9.840 1.00 1.17 C ATOM 859 O ARG A 87 -6.157 -5.041 -10.093 1.00 1.28 O ATOM 860 CB ARG A 87 -4.190 -7.021 -11.806 1.00 1.28 C ATOM 861 CG ARG A 87 -3.037 -6.931 -12.826 1.00 2.74 C ATOM 862 CD ARG A 87 -3.226 -5.864 -13.918 1.00 2.74 C ATOM 863 NE ARG A 87 -3.068 -4.482 -13.422 1.00 3.74 N ATOM 864 CZ ARG A 87 -3.956 -3.504 -13.410 1.00 4.33 C ATOM 865 NH1 ARG A 87 -5.203 -3.691 -13.724 1.00 4.22 N ATOM 866 NH2 ARG A 87 -3.612 -2.297 -13.064 1.00 5.85 N ATOM 0 H ARG A 87 -2.486 -7.379 -10.087 1.00 1.01 H new ATOM 0 HA ARG A 87 -3.808 -5.079 -10.928 1.00 1.15 H new ATOM 0 HB2 ARG A 87 -4.259 -8.048 -11.448 1.00 1.28 H new ATOM 0 HB3 ARG A 87 -5.126 -6.798 -12.318 1.00 1.28 H new ATOM 0 HG2 ARG A 87 -2.111 -6.722 -12.290 1.00 2.74 H new ATOM 0 HG3 ARG A 87 -2.916 -7.903 -13.304 1.00 2.74 H new ATOM 0 HD2 ARG A 87 -2.505 -6.040 -14.716 1.00 2.74 H new ATOM 0 HD3 ARG A 87 -4.219 -5.974 -14.355 1.00 2.74 H new ATOM 0 HE ARG A 87 -2.152 -4.252 -13.038 1.00 3.74 H new ATOM 0 HH11 ARG A 87 -5.528 -4.620 -13.992 1.00 4.22 H new ATOM 0 HH12 ARG A 87 -5.857 -2.909 -13.702 1.00 4.22 H new ATOM 0 HH21 ARG A 87 -2.648 -2.098 -12.798 1.00 5.85 H new ATOM 0 HH22 ARG A 87 -4.307 -1.550 -13.059 1.00 5.85 H new ATOM 880 N LEU A 88 -5.664 -6.873 -8.886 1.00 1.12 N ATOM 881 CA LEU A 88 -6.833 -6.780 -8.003 1.00 1.20 C ATOM 882 C LEU A 88 -6.788 -5.562 -7.059 1.00 1.15 C ATOM 883 O LEU A 88 -7.787 -4.858 -6.969 1.00 1.21 O ATOM 884 CB LEU A 88 -7.030 -8.105 -7.235 1.00 1.25 C ATOM 885 CG LEU A 88 -8.363 -8.807 -7.542 1.00 1.96 C ATOM 886 CD1 LEU A 88 -8.355 -10.201 -6.917 1.00 2.44 C ATOM 887 CD2 LEU A 88 -9.566 -8.034 -6.997 1.00 2.61 C ATOM 0 H LEU A 88 -5.077 -7.687 -8.704 1.00 1.12 H new ATOM 0 HA LEU A 88 -7.704 -6.616 -8.637 1.00 1.20 H new ATOM 0 HB2 LEU A 88 -6.210 -8.781 -7.478 1.00 1.25 H new ATOM 0 HB3 LEU A 88 -6.973 -7.906 -6.165 1.00 1.25 H new ATOM 0 HG LEU A 88 -8.460 -8.862 -8.626 1.00 1.96 H new ATOM 0 HD11 LEU A 88 -9.299 -10.702 -7.133 1.00 2.44 H new ATOM 0 HD12 LEU A 88 -7.532 -10.782 -7.334 1.00 2.44 H new ATOM 0 HD13 LEU A 88 -8.228 -10.115 -5.838 1.00 2.44 H new ATOM 0 HD21 LEU A 88 -10.483 -8.570 -7.239 1.00 2.61 H new ATOM 0 HD22 LEU A 88 -9.477 -7.938 -5.915 1.00 2.61 H new ATOM 0 HD23 LEU A 88 -9.596 -7.042 -7.448 1.00 2.61 H new ATOM 899 N VAL A 89 -5.664 -5.236 -6.400 1.00 1.05 N ATOM 900 CA VAL A 89 -5.574 -4.010 -5.563 1.00 1.05 C ATOM 901 C VAL A 89 -5.640 -2.740 -6.422 1.00 1.06 C ATOM 902 O VAL A 89 -6.241 -1.741 -6.048 1.00 1.14 O ATOM 903 CB VAL A 89 -4.293 -3.933 -4.696 1.00 1.02 C ATOM 904 CG1 VAL A 89 -4.517 -2.980 -3.517 1.00 1.24 C ATOM 905 CG2 VAL A 89 -3.839 -5.258 -4.084 1.00 1.30 C ATOM 0 H VAL A 89 -4.809 -5.792 -6.424 1.00 1.05 H new ATOM 0 HA VAL A 89 -6.433 -4.073 -4.895 1.00 1.05 H new ATOM 0 HB VAL A 89 -3.523 -3.597 -5.391 1.00 1.02 H new ATOM 0 HG11 VAL A 89 -3.612 -2.931 -2.912 1.00 1.24 H new ATOM 0 HG12 VAL A 89 -4.756 -1.985 -3.893 1.00 1.24 H new ATOM 0 HG13 VAL A 89 -5.343 -3.345 -2.906 1.00 1.24 H new ATOM 0 HG21 VAL A 89 -2.935 -5.097 -3.496 1.00 1.30 H new ATOM 0 HG22 VAL A 89 -4.626 -5.650 -3.439 1.00 1.30 H new ATOM 0 HG23 VAL A 89 -3.632 -5.974 -4.879 1.00 1.30 H new ATOM 915 N HIS A 90 -5.046 -2.781 -7.605 1.00 1.06 N ATOM 916 CA HIS A 90 -4.890 -1.643 -8.511 1.00 1.18 C ATOM 917 C HIS A 90 -6.227 -1.250 -9.143 1.00 1.30 C ATOM 918 O HIS A 90 -6.518 -0.057 -9.252 1.00 1.40 O ATOM 919 CB HIS A 90 -3.834 -1.967 -9.584 1.00 1.23 C ATOM 920 CG HIS A 90 -2.436 -2.236 -9.067 1.00 1.20 C ATOM 921 ND1 HIS A 90 -1.412 -2.836 -9.770 1.00 1.54 N ATOM 922 CD2 HIS A 90 -1.937 -1.950 -7.823 1.00 1.04 C ATOM 923 CE1 HIS A 90 -0.332 -2.901 -8.981 1.00 1.49 C ATOM 924 NE2 HIS A 90 -0.601 -2.360 -7.783 1.00 1.14 N ATOM 0 H HIS A 90 -4.642 -3.640 -7.979 1.00 1.06 H new ATOM 0 HA HIS A 90 -4.544 -0.784 -7.935 1.00 1.18 H new ATOM 0 HB2 HIS A 90 -4.168 -2.839 -10.145 1.00 1.23 H new ATOM 0 HB3 HIS A 90 -3.788 -1.135 -10.286 1.00 1.23 H new ATOM 0 HD1 HIS A 90 -1.468 -3.174 -10.731 1.00 1.54 H new ATOM 0 HD2 HIS A 90 -2.482 -1.488 -7.013 1.00 1.04 H new ATOM 0 HE1 HIS A 90 0.618 -3.327 -9.268 1.00 1.49 H new ATOM 932 N ALA A 91 -7.052 -2.236 -9.515 1.00 1.34 N ATOM 933 CA ALA A 91 -8.401 -2.013 -10.026 1.00 1.49 C ATOM 934 C ALA A 91 -9.489 -1.914 -8.947 1.00 1.54 C ATOM 935 O ALA A 91 -10.390 -1.078 -9.070 1.00 1.68 O ATOM 936 CB ALA A 91 -8.703 -3.119 -11.042 1.00 1.64 C ATOM 0 H ALA A 91 -6.794 -3.222 -9.467 1.00 1.34 H new ATOM 0 HA ALA A 91 -8.423 -1.031 -10.498 1.00 1.49 H new ATOM 0 HB1 ALA A 91 -9.707 -2.980 -11.443 1.00 1.64 H new ATOM 0 HB2 ALA A 91 -7.978 -3.074 -11.855 1.00 1.64 H new ATOM 0 HB3 ALA A 91 -8.639 -4.091 -10.552 1.00 1.64 H new ATOM 942 N ALA A 92 -9.450 -2.727 -7.886 1.00 1.47 N ATOM 943 CA ALA A 92 -10.445 -2.631 -6.817 1.00 1.55 C ATOM 944 C ALA A 92 -10.214 -1.398 -5.952 1.00 1.64 C ATOM 945 O ALA A 92 -11.170 -0.688 -5.623 1.00 1.94 O ATOM 946 CB ALA A 92 -10.441 -3.893 -5.937 1.00 1.46 C ATOM 0 H ALA A 92 -8.746 -3.452 -7.746 1.00 1.47 H new ATOM 0 HA ALA A 92 -11.420 -2.541 -7.296 1.00 1.55 H new ATOM 0 HB1 ALA A 92 -11.190 -3.792 -5.152 1.00 1.46 H new ATOM 0 HB2 ALA A 92 -10.673 -4.764 -6.549 1.00 1.46 H new ATOM 0 HB3 ALA A 92 -9.457 -4.018 -5.485 1.00 1.46 H new ATOM 952 N LEU A 93 -8.964 -1.177 -5.533 1.00 1.41 N ATOM 953 CA LEU A 93 -8.674 -0.343 -4.360 1.00 1.30 C ATOM 954 C LEU A 93 -7.964 0.963 -4.688 1.00 1.15 C ATOM 955 O LEU A 93 -7.329 1.582 -3.838 1.00 1.09 O ATOM 956 CB LEU A 93 -7.913 -1.168 -3.331 1.00 1.33 C ATOM 957 CG LEU A 93 -8.709 -2.317 -2.685 1.00 1.82 C ATOM 958 CD1 LEU A 93 -8.258 -2.319 -1.249 1.00 1.61 C ATOM 959 CD2 LEU A 93 -10.235 -2.221 -2.618 1.00 2.84 C ATOM 0 H LEU A 93 -8.137 -1.563 -5.988 1.00 1.41 H new ATOM 0 HA LEU A 93 -9.629 -0.030 -3.939 1.00 1.30 H new ATOM 0 HB2 LEU A 93 -7.027 -1.586 -3.809 1.00 1.33 H new ATOM 0 HB3 LEU A 93 -7.565 -0.502 -2.542 1.00 1.33 H new ATOM 0 HG LEU A 93 -8.514 -3.189 -3.309 1.00 1.82 H new ATOM 0 HD11 LEU A 93 -8.775 -3.110 -0.706 1.00 1.61 H new ATOM 0 HD12 LEU A 93 -7.183 -2.492 -1.206 1.00 1.61 H new ATOM 0 HD13 LEU A 93 -8.489 -1.356 -0.794 1.00 1.61 H new ATOM 0 HD21 LEU A 93 -10.635 -3.112 -2.134 1.00 2.84 H new ATOM 0 HD22 LEU A 93 -10.519 -1.338 -2.045 1.00 2.84 H new ATOM 0 HD23 LEU A 93 -10.639 -2.144 -3.627 1.00 2.84 H new ATOM 971 N ALA A 94 -8.091 1.384 -5.931 1.00 1.23 N ATOM 972 CA ALA A 94 -7.448 2.597 -6.435 1.00 1.17 C ATOM 973 C ALA A 94 -7.634 3.861 -5.570 1.00 1.04 C ATOM 974 O ALA A 94 -6.669 4.607 -5.385 1.00 1.00 O ATOM 975 CB ALA A 94 -7.934 2.848 -7.869 1.00 1.47 C ATOM 0 H ALA A 94 -8.647 0.894 -6.632 1.00 1.23 H new ATOM 0 HA ALA A 94 -6.375 2.409 -6.399 1.00 1.17 H new ATOM 0 HB1 ALA A 94 -7.463 3.750 -8.260 1.00 1.47 H new ATOM 0 HB2 ALA A 94 -7.668 1.998 -8.497 1.00 1.47 H new ATOM 0 HB3 ALA A 94 -9.017 2.974 -7.869 1.00 1.47 H new ATOM 981 N GLU A 95 -8.819 4.092 -4.995 1.00 1.13 N ATOM 982 CA GLU A 95 -9.068 5.204 -4.068 1.00 1.24 C ATOM 983 C GLU A 95 -8.673 4.877 -2.620 1.00 1.27 C ATOM 984 O GLU A 95 -8.464 5.787 -1.821 1.00 1.51 O ATOM 985 CB GLU A 95 -10.545 5.627 -4.121 1.00 1.52 C ATOM 986 CG GLU A 95 -10.930 6.320 -5.437 1.00 1.93 C ATOM 987 CD GLU A 95 -12.391 6.793 -5.406 1.00 2.40 C ATOM 988 OE1 GLU A 95 -13.160 6.460 -6.343 1.00 3.06 O ATOM 989 OE2 GLU A 95 -12.762 7.507 -4.441 1.00 3.23 O ATOM 0 H GLU A 95 -9.639 3.509 -5.160 1.00 1.13 H new ATOM 0 HA GLU A 95 -8.435 6.028 -4.397 1.00 1.24 H new ATOM 0 HB2 GLU A 95 -11.173 4.747 -3.984 1.00 1.52 H new ATOM 0 HB3 GLU A 95 -10.753 6.300 -3.289 1.00 1.52 H new ATOM 0 HG2 GLU A 95 -10.272 7.172 -5.609 1.00 1.93 H new ATOM 0 HG3 GLU A 95 -10.785 5.632 -6.270 1.00 1.93 H new ATOM 996 N GLU A 96 -8.551 3.603 -2.247 1.00 1.21 N ATOM 997 CA GLU A 96 -8.283 3.148 -0.909 1.00 1.34 C ATOM 998 C GLU A 96 -6.771 3.143 -0.641 1.00 1.31 C ATOM 999 O GLU A 96 -6.327 3.484 0.456 1.00 1.63 O ATOM 1000 CB GLU A 96 -8.925 1.763 -0.840 1.00 1.45 C ATOM 1001 CG GLU A 96 -10.442 1.781 -1.110 1.00 1.40 C ATOM 1002 CD GLU A 96 -11.292 0.676 -0.457 1.00 1.49 C ATOM 1003 OE1 GLU A 96 -10.873 -0.018 0.498 1.00 2.07 O ATOM 1004 OE2 GLU A 96 -12.449 0.497 -0.915 1.00 2.29 O ATOM 0 H GLU A 96 -8.643 2.834 -2.911 1.00 1.21 H new ATOM 0 HA GLU A 96 -8.695 3.795 -0.134 1.00 1.34 H new ATOM 0 HB2 GLU A 96 -8.441 1.109 -1.566 1.00 1.45 H new ATOM 0 HB3 GLU A 96 -8.743 1.334 0.146 1.00 1.45 H new ATOM 0 HG2 GLU A 96 -10.831 2.744 -0.780 1.00 1.40 H new ATOM 0 HG3 GLU A 96 -10.593 1.729 -2.188 1.00 1.40 H new ATOM 1011 N LEU A 97 -5.960 2.885 -1.675 1.00 1.04 N ATOM 1012 CA LEU A 97 -4.555 3.182 -1.760 1.00 0.98 C ATOM 1013 C LEU A 97 -4.277 4.660 -2.106 1.00 0.91 C ATOM 1014 O LEU A 97 -3.563 5.344 -1.375 1.00 1.08 O ATOM 1015 CB LEU A 97 -4.119 2.294 -2.931 1.00 1.23 C ATOM 1016 CG LEU A 97 -3.570 0.892 -2.619 1.00 1.39 C ATOM 1017 CD1 LEU A 97 -3.115 0.261 -3.937 1.00 2.93 C ATOM 1018 CD2 LEU A 97 -2.387 0.872 -1.651 1.00 2.12 C ATOM 0 H LEU A 97 -6.307 2.434 -2.521 1.00 1.04 H new ATOM 0 HA LEU A 97 -4.036 3.008 -0.818 1.00 0.98 H new ATOM 0 HB2 LEU A 97 -4.975 2.175 -3.595 1.00 1.23 H new ATOM 0 HB3 LEU A 97 -3.355 2.833 -3.490 1.00 1.23 H new ATOM 0 HG LEU A 97 -4.376 0.343 -2.133 1.00 1.39 H new ATOM 0 HD11 LEU A 97 -2.720 -0.737 -3.745 1.00 2.93 H new ATOM 0 HD12 LEU A 97 -3.963 0.191 -4.619 1.00 2.93 H new ATOM 0 HD13 LEU A 97 -2.338 0.879 -4.387 1.00 2.93 H new ATOM 0 HD21 LEU A 97 -2.066 -0.157 -1.489 1.00 2.12 H new ATOM 0 HD22 LEU A 97 -1.562 1.447 -2.072 1.00 2.12 H new ATOM 0 HD23 LEU A 97 -2.688 1.312 -0.700 1.00 2.12 H new ATOM 1030 N GLY A 98 -4.870 5.167 -3.193 1.00 0.98 N ATOM 1031 CA GLY A 98 -4.469 6.403 -3.877 1.00 1.31 C ATOM 1032 C GLY A 98 -5.443 7.562 -3.727 1.00 1.31 C ATOM 1033 O GLY A 98 -5.606 8.378 -4.636 1.00 1.61 O ATOM 0 H GLY A 98 -5.669 4.713 -3.636 1.00 0.98 H new ATOM 0 HA2 GLY A 98 -3.496 6.713 -3.496 1.00 1.31 H new ATOM 0 HA3 GLY A 98 -4.342 6.189 -4.938 1.00 1.31 H new ATOM 1037 N GLY A 99 -6.129 7.598 -2.594 1.00 1.41 N ATOM 1038 CA GLY A 99 -7.162 8.587 -2.265 1.00 1.83 C ATOM 1039 C GLY A 99 -6.586 9.992 -2.075 1.00 1.97 C ATOM 1040 O GLY A 99 -6.978 10.891 -2.821 1.00 2.21 O ATOM 0 H GLY A 99 -5.981 6.918 -1.848 1.00 1.41 H new ATOM 0 HA2 GLY A 99 -7.908 8.608 -3.060 1.00 1.83 H new ATOM 0 HA3 GLY A 99 -7.676 8.282 -1.354 1.00 1.83 H new ATOM 1044 N PRO A 100 -5.613 10.168 -1.154 1.00 1.93 N ATOM 1045 CA PRO A 100 -4.903 11.425 -0.914 1.00 2.08 C ATOM 1046 C PRO A 100 -3.522 11.499 -1.599 1.00 1.85 C ATOM 1047 O PRO A 100 -2.758 12.446 -1.391 1.00 2.01 O ATOM 1048 CB PRO A 100 -4.838 11.482 0.611 1.00 2.31 C ATOM 1049 CG PRO A 100 -4.582 10.036 1.018 1.00 2.17 C ATOM 1050 CD PRO A 100 -5.326 9.241 -0.059 1.00 1.96 C ATOM 0 HA PRO A 100 -5.407 12.288 -1.349 1.00 2.08 H new ATOM 0 HB2 PRO A 100 -4.040 12.141 0.953 1.00 2.31 H new ATOM 0 HB3 PRO A 100 -5.768 11.859 1.037 1.00 2.31 H new ATOM 0 HG2 PRO A 100 -3.517 9.802 1.030 1.00 2.17 H new ATOM 0 HG3 PRO A 100 -4.966 9.823 2.015 1.00 2.17 H new ATOM 0 HD2 PRO A 100 -4.720 8.406 -0.410 1.00 1.96 H new ATOM 0 HD3 PRO A 100 -6.248 8.819 0.341 1.00 1.96 H new ATOM 1058 N VAL A 101 -3.198 10.495 -2.420 1.00 1.55 N ATOM 1059 CA VAL A 101 -1.890 10.247 -3.046 1.00 1.37 C ATOM 1060 C VAL A 101 -2.091 10.051 -4.542 1.00 1.46 C ATOM 1061 O VAL A 101 -2.629 9.039 -4.994 1.00 1.86 O ATOM 1062 CB VAL A 101 -1.224 9.014 -2.395 1.00 1.34 C ATOM 1063 CG1 VAL A 101 0.161 8.776 -2.954 1.00 1.42 C ATOM 1064 CG2 VAL A 101 -1.083 9.154 -0.878 1.00 2.54 C ATOM 0 H VAL A 101 -3.884 9.788 -2.683 1.00 1.55 H new ATOM 0 HA VAL A 101 -1.227 11.099 -2.893 1.00 1.37 H new ATOM 0 HB VAL A 101 -1.884 8.177 -2.624 1.00 1.34 H new ATOM 0 HG11 VAL A 101 0.601 7.902 -2.475 1.00 1.42 H new ATOM 0 HG12 VAL A 101 0.095 8.606 -4.029 1.00 1.42 H new ATOM 0 HG13 VAL A 101 0.786 9.648 -2.762 1.00 1.42 H new ATOM 0 HG21 VAL A 101 -0.609 8.260 -0.473 1.00 2.54 H new ATOM 0 HG22 VAL A 101 -0.470 10.025 -0.648 1.00 2.54 H new ATOM 0 HG23 VAL A 101 -2.069 9.276 -0.431 1.00 2.54 H new ATOM 1074 N HIS A 102 -1.653 11.048 -5.304 1.00 1.36 N ATOM 1075 CA HIS A 102 -1.815 11.139 -6.754 1.00 1.53 C ATOM 1076 C HIS A 102 -0.872 10.196 -7.536 1.00 1.42 C ATOM 1077 O HIS A 102 -1.135 9.933 -8.713 1.00 1.57 O ATOM 1078 CB HIS A 102 -1.716 12.631 -7.139 1.00 1.73 C ATOM 1079 CG HIS A 102 -0.566 13.012 -8.008 1.00 2.19 C ATOM 1080 ND1 HIS A 102 0.728 12.808 -7.651 1.00 2.85 N flip ATOM 1081 CD2 HIS A 102 -0.573 13.799 -9.135 1.00 3.30 C flip ATOM 1082 CE1 HIS A 102 1.543 13.458 -8.581 1.00 4.41 C flip ATOM 1083 NE2 HIS A 102 0.706 14.040 -9.460 1.00 4.82 N flip ATOM 0 H HIS A 102 -1.155 11.848 -4.914 1.00 1.36 H new ATOM 0 HA HIS A 102 -2.797 10.771 -7.050 1.00 1.53 H new ATOM 0 HB2 HIS A 102 -2.638 12.916 -7.646 1.00 1.73 H new ATOM 0 HB3 HIS A 102 -1.662 13.218 -6.222 1.00 1.73 H new ATOM 0 HD2 HIS A 102 -1.446 14.157 -9.661 1.00 3.30 H new ATOM 0 HE1 HIS A 102 2.623 13.487 -8.592 1.00 4.41 H new ATOM 0 HE2 HIS A 102 1.004 14.590 -10.265 1.00 4.82 H new ATOM 1091 N ALA A 103 0.185 9.667 -6.895 1.00 1.20 N ATOM 1092 CA ALA A 103 0.989 8.554 -7.415 1.00 1.13 C ATOM 1093 C ALA A 103 1.524 7.633 -6.306 1.00 0.88 C ATOM 1094 O ALA A 103 2.185 8.089 -5.373 1.00 0.72 O ATOM 1095 CB ALA A 103 2.179 9.104 -8.202 1.00 1.19 C ATOM 0 H ALA A 103 0.507 10.007 -5.989 1.00 1.20 H new ATOM 0 HA ALA A 103 0.331 7.964 -8.053 1.00 1.13 H new ATOM 0 HB1 ALA A 103 2.774 8.276 -8.587 1.00 1.19 H new ATOM 0 HB2 ALA A 103 1.817 9.708 -9.034 1.00 1.19 H new ATOM 0 HB3 ALA A 103 2.795 9.720 -7.547 1.00 1.19 H new ATOM 1101 N LEU A 104 1.325 6.324 -6.440 1.00 1.01 N ATOM 1102 CA LEU A 104 1.918 5.324 -5.560 1.00 0.79 C ATOM 1103 C LEU A 104 2.170 3.935 -6.158 1.00 0.89 C ATOM 1104 O LEU A 104 1.508 3.530 -7.115 1.00 1.19 O ATOM 1105 CB LEU A 104 1.119 5.231 -4.256 1.00 0.99 C ATOM 1106 CG LEU A 104 -0.169 4.392 -4.207 1.00 1.32 C ATOM 1107 CD1 LEU A 104 -0.656 4.387 -2.757 1.00 1.61 C ATOM 1108 CD2 LEU A 104 -1.282 4.947 -5.092 1.00 1.65 C ATOM 0 H LEU A 104 0.739 5.924 -7.173 1.00 1.01 H new ATOM 0 HA LEU A 104 2.926 5.695 -5.372 1.00 0.79 H new ATOM 0 HB2 LEU A 104 1.790 4.841 -3.491 1.00 0.99 H new ATOM 0 HB3 LEU A 104 0.856 6.247 -3.962 1.00 0.99 H new ATOM 0 HG LEU A 104 0.063 3.393 -4.578 1.00 1.32 H new ATOM 0 HD11 LEU A 104 -1.571 3.800 -2.683 1.00 1.61 H new ATOM 0 HD12 LEU A 104 0.110 3.948 -2.117 1.00 1.61 H new ATOM 0 HD13 LEU A 104 -0.854 5.410 -2.436 1.00 1.61 H new ATOM 0 HD21 LEU A 104 -2.162 4.309 -5.012 1.00 1.65 H new ATOM 0 HD22 LEU A 104 -1.535 5.957 -4.769 1.00 1.65 H new ATOM 0 HD23 LEU A 104 -0.945 4.972 -6.128 1.00 1.65 H new ATOM 1120 N ALA A 105 3.102 3.200 -5.536 1.00 0.73 N ATOM 1121 CA ALA A 105 3.441 1.809 -5.894 1.00 0.74 C ATOM 1122 C ALA A 105 3.414 0.834 -4.692 1.00 0.63 C ATOM 1123 O ALA A 105 3.797 1.221 -3.583 1.00 0.62 O ATOM 1124 CB ALA A 105 4.788 1.793 -6.627 1.00 0.83 C ATOM 0 H ALA A 105 3.653 3.558 -4.756 1.00 0.73 H new ATOM 0 HA ALA A 105 2.663 1.437 -6.561 1.00 0.74 H new ATOM 0 HB1 ALA A 105 5.045 0.768 -6.894 1.00 0.83 H new ATOM 0 HB2 ALA A 105 4.717 2.397 -7.531 1.00 0.83 H new ATOM 0 HB3 ALA A 105 5.561 2.203 -5.977 1.00 0.83 H new ATOM 1130 N ILE A 106 2.966 -0.418 -4.892 1.00 0.61 N ATOM 1131 CA ILE A 106 2.893 -1.463 -3.850 1.00 0.54 C ATOM 1132 C ILE A 106 3.834 -2.662 -4.086 1.00 0.47 C ATOM 1133 O ILE A 106 4.181 -2.976 -5.225 1.00 0.49 O ATOM 1134 CB ILE A 106 1.443 -1.967 -3.659 1.00 0.70 C ATOM 1135 CG1 ILE A 106 1.007 -2.927 -4.792 1.00 1.01 C ATOM 1136 CG2 ILE A 106 0.473 -0.789 -3.461 1.00 0.87 C ATOM 1137 CD1 ILE A 106 -0.445 -3.399 -4.716 1.00 0.90 C ATOM 0 H ILE A 106 2.637 -0.741 -5.802 1.00 0.61 H new ATOM 0 HA ILE A 106 3.237 -0.972 -2.940 1.00 0.54 H new ATOM 0 HB ILE A 106 1.411 -2.560 -2.745 1.00 0.70 H new ATOM 0 HG12 ILE A 106 1.162 -2.429 -5.749 1.00 1.01 H new ATOM 0 HG13 ILE A 106 1.658 -3.801 -4.778 1.00 1.01 H new ATOM 0 HG21 ILE A 106 -0.540 -1.170 -3.329 1.00 0.87 H new ATOM 0 HG22 ILE A 106 0.765 -0.222 -2.577 1.00 0.87 H new ATOM 0 HG23 ILE A 106 0.505 -0.140 -4.336 1.00 0.87 H new ATOM 0 HD11 ILE A 106 -0.655 -4.067 -5.552 1.00 0.90 H new ATOM 0 HD12 ILE A 106 -0.606 -3.930 -3.778 1.00 0.90 H new ATOM 0 HD13 ILE A 106 -1.111 -2.537 -4.764 1.00 0.90 H new ATOM 1149 N GLN A 107 4.144 -3.400 -3.016 1.00 0.49 N ATOM 1150 CA GLN A 107 4.467 -4.837 -3.049 1.00 0.52 C ATOM 1151 C GLN A 107 3.635 -5.600 -1.999 1.00 0.54 C ATOM 1152 O GLN A 107 3.644 -5.245 -0.819 1.00 0.60 O ATOM 1153 CB GLN A 107 5.977 -5.054 -2.846 1.00 0.71 C ATOM 1154 CG GLN A 107 6.771 -4.698 -4.113 1.00 1.05 C ATOM 1155 CD GLN A 107 8.270 -4.829 -3.896 1.00 1.96 C ATOM 1156 OE1 GLN A 107 8.935 -3.873 -3.504 1.00 2.62 O ATOM 1157 NE2 GLN A 107 8.862 -5.983 -4.090 1.00 3.31 N ATOM 0 H GLN A 107 4.179 -3.007 -2.075 1.00 0.49 H new ATOM 0 HA GLN A 107 4.206 -5.235 -4.029 1.00 0.52 H new ATOM 0 HB2 GLN A 107 6.325 -4.443 -2.013 1.00 0.71 H new ATOM 0 HB3 GLN A 107 6.164 -6.094 -2.578 1.00 0.71 H new ATOM 0 HG2 GLN A 107 6.464 -5.351 -4.930 1.00 1.05 H new ATOM 0 HG3 GLN A 107 6.535 -3.677 -4.415 1.00 1.05 H new ATOM 0 HE21 GLN A 107 8.322 -6.785 -4.415 1.00 3.31 H new ATOM 0 HE22 GLN A 107 9.862 -6.079 -3.916 1.00 3.31 H new ATOM 1166 N ALA A 108 2.901 -6.634 -2.417 1.00 0.64 N ATOM 1167 CA ALA A 108 1.966 -7.399 -1.583 1.00 0.67 C ATOM 1168 C ALA A 108 2.429 -8.847 -1.351 1.00 0.73 C ATOM 1169 O ALA A 108 2.767 -9.560 -2.296 1.00 0.91 O ATOM 1170 CB ALA A 108 0.574 -7.334 -2.224 1.00 0.80 C ATOM 0 H ALA A 108 2.941 -6.975 -3.378 1.00 0.64 H new ATOM 0 HA ALA A 108 1.930 -6.950 -0.591 1.00 0.67 H new ATOM 0 HB1 ALA A 108 -0.133 -7.898 -1.616 1.00 0.80 H new ATOM 0 HB2 ALA A 108 0.251 -6.295 -2.287 1.00 0.80 H new ATOM 0 HB3 ALA A 108 0.614 -7.763 -3.225 1.00 0.80 H new ATOM 1176 N ARG A 109 2.428 -9.284 -0.087 1.00 0.70 N ATOM 1177 CA ARG A 109 3.065 -10.520 0.392 1.00 0.78 C ATOM 1178 C ARG A 109 2.172 -11.329 1.354 1.00 0.69 C ATOM 1179 O ARG A 109 1.205 -10.817 1.933 1.00 0.67 O ATOM 1180 CB ARG A 109 4.382 -10.144 1.106 1.00 1.11 C ATOM 1181 CG ARG A 109 5.408 -9.264 0.370 1.00 1.74 C ATOM 1182 CD ARG A 109 5.907 -9.815 -0.973 1.00 1.42 C ATOM 1183 NE ARG A 109 7.319 -9.448 -1.204 1.00 1.88 N ATOM 1184 CZ ARG A 109 8.078 -9.753 -2.241 1.00 2.13 C ATOM 1185 NH1 ARG A 109 7.627 -10.384 -3.282 1.00 3.12 N ATOM 1186 NH2 ARG A 109 9.336 -9.424 -2.260 1.00 2.79 N ATOM 0 H ARG A 109 1.966 -8.768 0.661 1.00 0.70 H new ATOM 0 HA ARG A 109 3.247 -11.157 -0.474 1.00 0.78 H new ATOM 0 HB2 ARG A 109 4.119 -9.636 2.034 1.00 1.11 H new ATOM 0 HB3 ARG A 109 4.883 -11.072 1.382 1.00 1.11 H new ATOM 0 HG2 ARG A 109 4.963 -8.284 0.198 1.00 1.74 H new ATOM 0 HG3 ARG A 109 6.267 -9.114 1.023 1.00 1.74 H new ATOM 0 HD2 ARG A 109 5.803 -10.900 -0.986 1.00 1.42 H new ATOM 0 HD3 ARG A 109 5.289 -9.425 -1.782 1.00 1.42 H new ATOM 0 HE ARG A 109 7.762 -8.891 -0.473 1.00 1.88 H new ATOM 0 HH11 ARG A 109 6.648 -10.666 -3.323 1.00 3.12 H new ATOM 0 HH12 ARG A 109 8.252 -10.598 -4.059 1.00 3.12 H new ATOM 0 HH21 ARG A 109 9.745 -8.926 -1.469 1.00 2.79 H new ATOM 0 HH22 ARG A 109 9.914 -9.664 -3.066 1.00 2.79 H new ATOM 1200 N THR A 110 2.556 -12.584 1.581 1.00 0.72 N ATOM 1201 CA THR A 110 1.943 -13.519 2.540 1.00 0.74 C ATOM 1202 C THR A 110 2.860 -13.791 3.747 1.00 0.74 C ATOM 1203 O THR A 110 4.097 -13.725 3.648 1.00 0.79 O ATOM 1204 CB THR A 110 1.549 -14.840 1.863 1.00 0.82 C ATOM 1205 OG1 THR A 110 2.687 -15.470 1.334 1.00 0.87 O ATOM 1206 CG2 THR A 110 0.542 -14.627 0.732 1.00 0.92 C ATOM 0 H THR A 110 3.340 -13.002 1.080 1.00 0.72 H new ATOM 0 HA THR A 110 1.038 -13.037 2.909 1.00 0.74 H new ATOM 0 HB THR A 110 1.086 -15.464 2.628 1.00 0.82 H new ATOM 0 HG1 THR A 110 2.426 -16.312 0.906 1.00 0.87 H new ATOM 0 HG21 THR A 110 0.292 -15.588 0.282 1.00 0.92 H new ATOM 0 HG22 THR A 110 -0.362 -14.167 1.131 1.00 0.92 H new ATOM 0 HG23 THR A 110 0.977 -13.974 -0.025 1.00 0.92 H new ATOM 1214 N PRO A 111 2.286 -14.064 4.935 1.00 0.74 N ATOM 1215 CA PRO A 111 3.081 -14.168 6.149 1.00 0.77 C ATOM 1216 C PRO A 111 4.060 -15.337 6.110 1.00 0.93 C ATOM 1217 O PRO A 111 5.218 -15.111 6.438 1.00 1.04 O ATOM 1218 CB PRO A 111 2.095 -14.208 7.315 1.00 0.76 C ATOM 1219 CG PRO A 111 0.796 -14.691 6.675 1.00 0.92 C ATOM 1220 CD PRO A 111 0.868 -14.123 5.258 1.00 0.76 C ATOM 0 HA PRO A 111 3.738 -13.306 6.265 1.00 0.77 H new ATOM 0 HB2 PRO A 111 2.431 -14.886 8.100 1.00 0.76 H new ATOM 0 HB3 PRO A 111 1.975 -13.226 7.772 1.00 0.76 H new ATOM 0 HG2 PRO A 111 0.731 -15.779 6.669 1.00 0.92 H new ATOM 0 HG3 PRO A 111 -0.078 -14.322 7.212 1.00 0.92 H new ATOM 0 HD2 PRO A 111 0.331 -14.757 4.553 1.00 0.76 H new ATOM 0 HD3 PRO A 111 0.412 -13.134 5.208 1.00 0.76 H new ATOM 1228 N ALA A 112 3.707 -16.527 5.609 1.00 1.03 N ATOM 1229 CA ALA A 112 4.677 -17.627 5.540 1.00 1.20 C ATOM 1230 C ALA A 112 5.907 -17.294 4.670 1.00 1.16 C ATOM 1231 O ALA A 112 7.028 -17.678 5.019 1.00 1.22 O ATOM 1232 CB ALA A 112 3.974 -18.893 5.043 1.00 1.36 C ATOM 0 H ALA A 112 2.778 -16.751 5.253 1.00 1.03 H new ATOM 0 HA ALA A 112 5.063 -17.792 6.546 1.00 1.20 H new ATOM 0 HB1 ALA A 112 4.692 -19.711 4.991 1.00 1.36 H new ATOM 0 HB2 ALA A 112 3.172 -19.158 5.732 1.00 1.36 H new ATOM 0 HB3 ALA A 112 3.557 -18.713 4.052 1.00 1.36 H new ATOM 1238 N GLN A 113 5.747 -16.530 3.580 1.00 1.13 N ATOM 1239 CA GLN A 113 6.884 -16.050 2.785 1.00 1.18 C ATOM 1240 C GLN A 113 7.722 -15.045 3.598 1.00 1.17 C ATOM 1241 O GLN A 113 8.952 -15.175 3.664 1.00 1.39 O ATOM 1242 CB GLN A 113 6.396 -15.513 1.414 1.00 1.20 C ATOM 1243 CG GLN A 113 6.393 -13.986 1.227 1.00 0.80 C ATOM 1244 CD GLN A 113 5.800 -13.579 -0.113 1.00 1.03 C ATOM 1245 OE1 GLN A 113 4.607 -13.350 -0.245 1.00 1.94 O ATOM 1246 NE2 GLN A 113 6.590 -13.449 -1.148 1.00 1.98 N ATOM 0 H GLN A 113 4.837 -16.231 3.229 1.00 1.13 H new ATOM 0 HA GLN A 113 7.556 -16.878 2.557 1.00 1.18 H new ATOM 0 HB2 GLN A 113 7.023 -15.949 0.636 1.00 1.20 H new ATOM 0 HB3 GLN A 113 5.382 -15.877 1.248 1.00 1.20 H new ATOM 0 HG2 GLN A 113 5.822 -13.523 2.032 1.00 0.80 H new ATOM 0 HG3 GLN A 113 7.413 -13.609 1.302 1.00 0.80 H new ATOM 0 HE21 GLN A 113 7.588 -13.636 -1.054 1.00 1.98 H new ATOM 0 HE22 GLN A 113 6.208 -13.160 -2.048 1.00 1.98 H new ATOM 1255 N TRP A 114 7.067 -14.076 4.262 1.00 1.02 N ATOM 1256 CA TRP A 114 7.750 -13.043 5.061 1.00 1.04 C ATOM 1257 C TRP A 114 8.486 -13.609 6.288 1.00 1.12 C ATOM 1258 O TRP A 114 9.584 -13.148 6.622 1.00 1.25 O ATOM 1259 CB TRP A 114 6.735 -11.983 5.507 1.00 0.92 C ATOM 1260 CG TRP A 114 7.335 -10.769 6.144 1.00 0.95 C ATOM 1261 CD1 TRP A 114 7.739 -10.668 7.430 1.00 1.10 C ATOM 1262 CD2 TRP A 114 7.555 -9.451 5.550 1.00 0.94 C ATOM 1263 NE1 TRP A 114 8.200 -9.390 7.668 1.00 1.07 N ATOM 1264 CE2 TRP A 114 8.043 -8.579 6.567 1.00 0.96 C ATOM 1265 CE3 TRP A 114 7.353 -8.896 4.268 1.00 1.02 C ATOM 1266 CZ2 TRP A 114 8.255 -7.214 6.346 1.00 1.03 C ATOM 1267 CZ3 TRP A 114 7.560 -7.523 4.034 1.00 1.11 C ATOM 1268 CH2 TRP A 114 7.988 -6.682 5.075 1.00 1.11 C ATOM 0 H TRP A 114 6.051 -13.987 4.260 1.00 1.02 H new ATOM 0 HA TRP A 114 8.511 -12.599 4.419 1.00 1.04 H new ATOM 0 HB2 TRP A 114 6.152 -11.671 4.640 1.00 0.92 H new ATOM 0 HB3 TRP A 114 6.040 -12.440 6.211 1.00 0.92 H new ATOM 0 HD1 TRP A 114 7.706 -11.465 8.158 1.00 1.10 H new ATOM 0 HE1 TRP A 114 8.607 -9.083 8.552 1.00 1.07 H new ATOM 0 HE3 TRP A 114 7.035 -9.533 3.456 1.00 1.02 H new ATOM 0 HZ2 TRP A 114 8.618 -6.580 7.141 1.00 1.03 H new ATOM 0 HZ3 TRP A 114 7.389 -7.114 3.049 1.00 1.11 H new ATOM 0 HH2 TRP A 114 8.112 -5.624 4.897 1.00 1.11 H new ATOM 1279 N ARG A 115 7.900 -14.621 6.940 1.00 1.10 N ATOM 1280 CA ARG A 115 8.432 -15.293 8.142 1.00 1.26 C ATOM 1281 C ARG A 115 9.754 -15.986 7.828 1.00 1.44 C ATOM 1282 O ARG A 115 10.688 -15.926 8.628 1.00 1.54 O ATOM 1283 CB ARG A 115 7.421 -16.330 8.673 1.00 1.35 C ATOM 1284 CG ARG A 115 6.096 -15.747 9.202 1.00 1.29 C ATOM 1285 CD ARG A 115 5.977 -15.644 10.725 1.00 1.61 C ATOM 1286 NE ARG A 115 6.817 -14.577 11.301 1.00 2.39 N ATOM 1287 CZ ARG A 115 6.455 -13.349 11.628 1.00 3.70 C ATOM 1288 NH1 ARG A 115 5.287 -12.841 11.364 1.00 4.64 N ATOM 1289 NH2 ARG A 115 7.294 -12.581 12.251 1.00 4.65 N ATOM 0 H ARG A 115 7.008 -15.012 6.637 1.00 1.10 H new ATOM 0 HA ARG A 115 8.600 -14.534 8.906 1.00 1.26 H new ATOM 0 HB2 ARG A 115 7.195 -17.035 7.873 1.00 1.35 H new ATOM 0 HB3 ARG A 115 7.895 -16.898 9.474 1.00 1.35 H new ATOM 0 HG2 ARG A 115 5.963 -14.752 8.778 1.00 1.29 H new ATOM 0 HG3 ARG A 115 5.276 -16.363 8.833 1.00 1.29 H new ATOM 0 HD2 ARG A 115 4.936 -15.461 10.990 1.00 1.61 H new ATOM 0 HD3 ARG A 115 6.257 -16.599 11.171 1.00 1.61 H new ATOM 0 HE ARG A 115 7.795 -14.816 11.467 1.00 2.39 H new ATOM 0 HH11 ARG A 115 4.586 -13.399 10.876 1.00 4.64 H new ATOM 0 HH12 ARG A 115 5.072 -11.884 11.645 1.00 4.64 H new ATOM 0 HH21 ARG A 115 8.225 -12.926 12.485 1.00 4.65 H new ATOM 0 HH22 ARG A 115 7.023 -11.632 12.507 1.00 4.65 H new ATOM 1303 N GLU A 116 9.855 -16.597 6.650 1.00 1.53 N ATOM 1304 CA GLU A 116 11.048 -17.331 6.235 1.00 1.82 C ATOM 1305 C GLU A 116 12.104 -16.449 5.551 1.00 1.94 C ATOM 1306 O GLU A 116 13.220 -16.362 6.064 1.00 2.13 O ATOM 1307 CB GLU A 116 10.648 -18.530 5.366 1.00 2.02 C ATOM 1308 CG GLU A 116 9.972 -19.619 6.214 1.00 2.89 C ATOM 1309 CD GLU A 116 9.867 -20.936 5.446 1.00 3.22 C ATOM 1310 OE1 GLU A 116 8.736 -21.324 5.061 1.00 4.28 O ATOM 1311 OE2 GLU A 116 10.927 -21.572 5.221 1.00 3.25 O ATOM 0 H GLU A 116 9.109 -16.597 5.954 1.00 1.53 H new ATOM 0 HA GLU A 116 11.533 -17.698 7.140 1.00 1.82 H new ATOM 0 HB2 GLU A 116 9.969 -18.203 4.578 1.00 2.02 H new ATOM 0 HB3 GLU A 116 11.531 -18.940 4.876 1.00 2.02 H new ATOM 0 HG2 GLU A 116 10.541 -19.775 7.131 1.00 2.89 H new ATOM 0 HG3 GLU A 116 8.977 -19.287 6.509 1.00 2.89 H new ATOM 1318 N ASN A 117 11.792 -15.822 4.407 1.00 1.97 N ATOM 1319 CA ASN A 117 12.823 -15.225 3.527 1.00 2.42 C ATOM 1320 C ASN A 117 12.405 -13.926 2.792 1.00 2.33 C ATOM 1321 O ASN A 117 13.228 -13.289 2.136 1.00 2.86 O ATOM 1322 CB ASN A 117 13.249 -16.364 2.574 1.00 3.12 C ATOM 1323 CG ASN A 117 14.242 -16.001 1.482 1.00 3.68 C ATOM 1324 OD1 ASN A 117 13.891 -16.005 0.313 1.00 4.69 O ATOM 1325 ND2 ASN A 117 15.485 -15.738 1.793 1.00 3.92 N ATOM 0 H ASN A 117 10.837 -15.712 4.065 1.00 1.97 H new ATOM 0 HA ASN A 117 13.656 -14.860 4.127 1.00 2.42 H new ATOM 0 HB2 ASN A 117 13.679 -17.167 3.173 1.00 3.12 H new ATOM 0 HB3 ASN A 117 12.353 -16.765 2.100 1.00 3.12 H new ATOM 0 HD21 ASN A 117 16.163 -15.536 1.058 1.00 3.92 H new ATOM 0 HD22 ASN A 117 15.776 -15.735 2.770 1.00 3.92 H new ATOM 1332 N SER A 118 11.113 -13.577 2.823 1.00 2.16 N ATOM 1333 CA SER A 118 10.351 -12.867 1.766 1.00 2.63 C ATOM 1334 C SER A 118 10.182 -13.644 0.439 1.00 2.98 C ATOM 1335 O SER A 118 9.363 -13.266 -0.394 1.00 3.81 O ATOM 1336 CB SER A 118 10.800 -11.411 1.569 1.00 3.11 C ATOM 1337 OG SER A 118 12.007 -11.321 0.839 1.00 4.44 O ATOM 0 H SER A 118 10.529 -13.792 3.631 1.00 2.16 H new ATOM 0 HA SER A 118 9.338 -12.819 2.164 1.00 2.63 H new ATOM 0 HB2 SER A 118 10.019 -10.859 1.047 1.00 3.11 H new ATOM 0 HB3 SER A 118 10.929 -10.937 2.542 1.00 3.11 H new ATOM 0 HG SER A 118 12.571 -12.096 1.043 1.00 4.44 H new