USER MOD reduce.3.24.130724 H: found=0, std=0, add=737, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 739 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 CYS SG : rot 32:sc= 0.699 USER MOD Single : A 8 LYS NZ :NH3+ 157:sc= 1.19 (180deg=1) USER MOD Single : A 23 LYS NZ :NH3+ 158:sc= 0.802 (180deg=0.00504) USER MOD Single : A 24 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00523) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 ASN : amide:sc= 0.194 X(o=0.19,f=-0.23) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 51 LYS NZ :NH3+ 160:sc= 1.12 (180deg=0.487) USER MOD Single : A 59 GLN :FLIP amide:sc= -1.14 F(o=-2.6!,f=-1.1) USER MOD Single : A 62 SER OG : rot -142:sc= -0.94! USER MOD Single : A 72 ASN : amide:sc= -0.28 K(o=-0.28,f=-1) USER MOD Single : A 84 TYR OH : rot 30:sc= -3.01! USER MOD Single : A 85 GLN :FLIP amide:sc= -0.218 F(o=-4.3!,f=-0.22) USER MOD Single : A 87 GLN :FLIP amide:sc= -1.84 F(o=-6.3!,f=-1.8) USER MOD Single : A 89 GLN : amide:sc= -0.205 X(o=-0.2,f=-0.12) USER MOD Single : A 91 SER OG : rot 180:sc= -0.181 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -45:sc= 0.311 USER MOD ----------------------------------------------------------------- ATOM 48 N LEU A 5 16.116 -1.576 4.004 1.00 0.43 N ATOM 49 CA LEU A 5 15.053 -0.884 4.703 1.00 0.45 C ATOM 50 C LEU A 5 13.817 -1.767 4.723 1.00 0.37 C ATOM 51 O LEU A 5 13.627 -2.589 3.829 1.00 0.42 O ATOM 52 CB LEU A 5 14.753 0.462 4.020 1.00 0.52 C ATOM 53 CG LEU A 5 14.170 0.384 2.600 1.00 0.60 C ATOM 54 CD1 LEU A 5 12.654 0.282 2.637 1.00 1.28 C ATOM 55 CD2 LEU A 5 14.588 1.590 1.778 1.00 1.27 C ATOM 0 HA LEU A 5 15.361 -0.677 5.728 1.00 0.45 H new ATOM 0 HB2 LEU A 5 14.056 1.017 4.647 1.00 0.52 H new ATOM 0 HB3 LEU A 5 15.676 1.040 3.981 1.00 0.52 H new ATOM 0 HG LEU A 5 14.566 -0.516 2.130 1.00 0.60 H new ATOM 0 HD11 LEU A 5 12.268 0.228 1.619 1.00 1.28 H new ATOM 0 HD12 LEU A 5 12.363 -0.615 3.183 1.00 1.28 H new ATOM 0 HD13 LEU A 5 12.242 1.160 3.135 1.00 1.28 H new ATOM 0 HD21 LEU A 5 14.164 1.513 0.777 1.00 1.27 H new ATOM 0 HD22 LEU A 5 14.226 2.500 2.257 1.00 1.27 H new ATOM 0 HD23 LEU A 5 15.675 1.624 1.709 1.00 1.27 H new ATOM 67 N CYS A 6 12.987 -1.617 5.734 1.00 0.34 N ATOM 68 CA CYS A 6 11.762 -2.387 5.810 1.00 0.31 C ATOM 69 C CYS A 6 10.570 -1.449 5.859 1.00 0.24 C ATOM 70 O CYS A 6 10.602 -0.423 6.540 1.00 0.27 O ATOM 71 CB CYS A 6 11.780 -3.315 7.024 1.00 0.40 C ATOM 72 SG CYS A 6 10.302 -4.338 7.202 1.00 1.35 S ATOM 0 H CYS A 6 13.136 -0.973 6.511 1.00 0.34 H new ATOM 0 HA CYS A 6 11.679 -3.010 4.920 1.00 0.31 H new ATOM 0 HB2 CYS A 6 12.652 -3.966 6.956 1.00 0.40 H new ATOM 0 HB3 CYS A 6 11.901 -2.713 7.925 1.00 0.40 H new ATOM 0 HG CYS A 6 9.826 -4.621 6.026 1.00 1.35 H new ATOM 78 N VAL A 7 9.535 -1.789 5.110 1.00 0.24 N ATOM 79 CA VAL A 7 8.357 -0.951 5.026 1.00 0.25 C ATOM 80 C VAL A 7 7.151 -1.654 5.643 1.00 0.25 C ATOM 81 O VAL A 7 7.066 -2.887 5.645 1.00 0.31 O ATOM 82 CB VAL A 7 8.058 -0.552 3.562 1.00 0.28 C ATOM 83 CG1 VAL A 7 9.245 0.183 2.965 1.00 0.64 C ATOM 84 CG2 VAL A 7 7.704 -1.765 2.717 1.00 0.61 C ATOM 0 H VAL A 7 9.489 -2.641 4.552 1.00 0.24 H new ATOM 0 HA VAL A 7 8.555 -0.040 5.591 1.00 0.25 H new ATOM 0 HB VAL A 7 7.195 0.113 3.565 1.00 0.28 H new ATOM 0 HG11 VAL A 7 9.022 0.458 1.934 1.00 0.64 H new ATOM 0 HG12 VAL A 7 9.445 1.083 3.546 1.00 0.64 H new ATOM 0 HG13 VAL A 7 10.122 -0.464 2.986 1.00 0.64 H new ATOM 0 HG21 VAL A 7 7.500 -1.449 1.694 1.00 0.61 H new ATOM 0 HG22 VAL A 7 8.538 -2.467 2.720 1.00 0.61 H new ATOM 0 HG23 VAL A 7 6.820 -2.251 3.130 1.00 0.61 H new ATOM 94 N LYS A 8 6.230 -0.869 6.177 1.00 0.26 N ATOM 95 CA LYS A 8 5.064 -1.410 6.862 1.00 0.28 C ATOM 96 C LYS A 8 3.790 -1.093 6.092 1.00 0.28 C ATOM 97 O LYS A 8 3.507 0.065 5.807 1.00 0.38 O ATOM 98 CB LYS A 8 4.957 -0.829 8.276 1.00 0.35 C ATOM 99 CG LYS A 8 3.728 -1.308 9.042 1.00 0.61 C ATOM 100 CD LYS A 8 3.606 -0.634 10.401 1.00 0.86 C ATOM 101 CE LYS A 8 3.286 0.851 10.283 1.00 1.08 C ATOM 102 NZ LYS A 8 1.923 1.093 9.737 1.00 1.61 N ATOM 0 H LYS A 8 6.266 0.150 6.150 1.00 0.26 H new ATOM 0 HA LYS A 8 5.184 -2.492 6.922 1.00 0.28 H new ATOM 0 HB2 LYS A 8 5.852 -1.096 8.838 1.00 0.35 H new ATOM 0 HB3 LYS A 8 4.934 0.259 8.212 1.00 0.35 H new ATOM 0 HG2 LYS A 8 2.833 -1.105 8.455 1.00 0.61 H new ATOM 0 HG3 LYS A 8 3.783 -2.388 9.176 1.00 0.61 H new ATOM 0 HD2 LYS A 8 2.825 -1.127 10.980 1.00 0.86 H new ATOM 0 HD3 LYS A 8 4.538 -0.760 10.952 1.00 0.86 H new ATOM 0 HE2 LYS A 8 3.370 1.318 11.264 1.00 1.08 H new ATOM 0 HE3 LYS A 8 4.023 1.329 9.638 1.00 1.08 H new ATOM 0 HZ1 LYS A 8 1.596 2.037 10.025 1.00 1.61 H new ATOM 0 HZ2 LYS A 8 1.950 1.038 8.699 1.00 1.61 H new ATOM 0 HZ3 LYS A 8 1.269 0.373 10.105 1.00 1.61 H new ATOM 116 N VAL A 9 3.020 -2.118 5.774 1.00 0.25 N ATOM 117 CA VAL A 9 1.727 -1.933 5.131 1.00 0.26 C ATOM 118 C VAL A 9 0.623 -2.233 6.136 1.00 0.23 C ATOM 119 O VAL A 9 0.650 -3.275 6.784 1.00 0.27 O ATOM 120 CB VAL A 9 1.570 -2.851 3.901 1.00 0.30 C ATOM 121 CG1 VAL A 9 0.188 -2.695 3.287 1.00 0.89 C ATOM 122 CG2 VAL A 9 2.656 -2.560 2.873 1.00 0.77 C ATOM 0 H VAL A 9 3.267 -3.092 5.951 1.00 0.25 H new ATOM 0 HA VAL A 9 1.658 -0.900 4.789 1.00 0.26 H new ATOM 0 HB VAL A 9 1.680 -3.885 4.228 1.00 0.30 H new ATOM 0 HG11 VAL A 9 0.098 -3.351 2.421 1.00 0.89 H new ATOM 0 HG12 VAL A 9 -0.570 -2.961 4.024 1.00 0.89 H new ATOM 0 HG13 VAL A 9 0.043 -1.661 2.975 1.00 0.89 H new ATOM 0 HG21 VAL A 9 2.528 -3.217 2.013 1.00 0.77 H new ATOM 0 HG22 VAL A 9 2.582 -1.522 2.550 1.00 0.77 H new ATOM 0 HG23 VAL A 9 3.635 -2.733 3.319 1.00 0.77 H new ATOM 132 N GLU A 10 -0.323 -1.321 6.292 1.00 0.21 N ATOM 133 CA GLU A 10 -1.354 -1.479 7.309 1.00 0.23 C ATOM 134 C GLU A 10 -2.693 -0.923 6.833 1.00 0.25 C ATOM 135 O GLU A 10 -2.748 -0.096 5.918 1.00 0.26 O ATOM 136 CB GLU A 10 -0.895 -0.788 8.598 1.00 0.28 C ATOM 137 CG GLU A 10 -1.831 -0.948 9.782 1.00 0.37 C ATOM 138 CD GLU A 10 -1.219 -0.431 11.068 1.00 0.48 C ATOM 139 OE1 GLU A 10 -0.046 -0.010 11.046 1.00 0.99 O ATOM 140 OE2 GLU A 10 -1.915 -0.436 12.108 1.00 1.08 O ATOM 0 H GLU A 10 -0.400 -0.471 5.734 1.00 0.21 H new ATOM 0 HA GLU A 10 -1.503 -2.541 7.503 1.00 0.23 H new ATOM 0 HB2 GLU A 10 0.084 -1.180 8.873 1.00 0.28 H new ATOM 0 HB3 GLU A 10 -0.768 0.276 8.396 1.00 0.28 H new ATOM 0 HG2 GLU A 10 -2.760 -0.414 9.583 1.00 0.37 H new ATOM 0 HG3 GLU A 10 -2.087 -2.001 9.901 1.00 0.37 H new ATOM 147 N PHE A 11 -3.766 -1.401 7.453 1.00 0.30 N ATOM 148 CA PHE A 11 -5.110 -0.927 7.163 1.00 0.34 C ATOM 149 C PHE A 11 -5.371 0.362 7.934 1.00 0.34 C ATOM 150 O PHE A 11 -4.760 0.602 8.976 1.00 0.74 O ATOM 151 CB PHE A 11 -6.156 -1.981 7.568 1.00 0.74 C ATOM 152 CG PHE A 11 -6.889 -1.635 8.841 1.00 2.12 C ATOM 153 CD1 PHE A 11 -6.285 -1.823 10.074 1.00 2.77 C ATOM 154 CD2 PHE A 11 -8.187 -1.159 8.804 1.00 2.89 C ATOM 155 CE1 PHE A 11 -6.959 -1.538 11.244 1.00 4.09 C ATOM 156 CE2 PHE A 11 -8.868 -0.880 9.972 1.00 4.21 C ATOM 157 CZ PHE A 11 -8.221 -0.929 11.173 1.00 4.80 C ATOM 0 H PHE A 11 -3.727 -2.126 8.169 1.00 0.30 H new ATOM 0 HA PHE A 11 -5.191 -0.744 6.092 1.00 0.34 H new ATOM 0 HB2 PHE A 11 -6.879 -2.095 6.760 1.00 0.74 H new ATOM 0 HB3 PHE A 11 -5.662 -2.945 7.692 1.00 0.74 H new ATOM 0 HD1 PHE A 11 -5.273 -2.198 10.120 1.00 2.77 H new ATOM 0 HD2 PHE A 11 -8.673 -1.004 7.852 1.00 2.89 H new ATOM 0 HE1 PHE A 11 -6.521 -1.780 12.201 1.00 4.09 H new ATOM 0 HE2 PHE A 11 -9.916 -0.622 9.935 1.00 4.21 H new ATOM 0 HZ PHE A 11 -8.674 -0.505 12.057 1.00 4.80 H new ATOM 167 N GLY A 12 -6.270 1.186 7.431 1.00 0.23 N ATOM 168 CA GLY A 12 -6.633 2.389 8.145 1.00 0.39 C ATOM 169 C GLY A 12 -8.129 2.618 8.155 1.00 0.28 C ATOM 170 O GLY A 12 -8.784 2.499 9.191 1.00 0.34 O ATOM 0 H GLY A 12 -6.754 1.046 6.544 1.00 0.23 H new ATOM 0 HA2 GLY A 12 -6.270 2.324 9.171 1.00 0.39 H new ATOM 0 HA3 GLY A 12 -6.139 3.245 7.686 1.00 0.39 H new ATOM 174 N GLY A 13 -8.674 2.912 6.985 1.00 0.24 N ATOM 175 CA GLY A 13 -10.088 3.224 6.870 1.00 0.26 C ATOM 176 C GLY A 13 -10.952 1.986 6.753 1.00 0.29 C ATOM 177 O GLY A 13 -11.736 1.865 5.816 1.00 0.45 O ATOM 0 H GLY A 13 -8.160 2.941 6.105 1.00 0.24 H new ATOM 0 HA2 GLY A 13 -10.401 3.799 7.741 1.00 0.26 H new ATOM 0 HA3 GLY A 13 -10.246 3.857 5.997 1.00 0.26 H new ATOM 181 N GLY A 14 -10.809 1.067 7.700 1.00 0.28 N ATOM 182 CA GLY A 14 -11.552 -0.178 7.647 1.00 0.35 C ATOM 183 C GLY A 14 -11.125 -1.037 6.474 1.00 0.36 C ATOM 184 O GLY A 14 -11.890 -1.865 5.981 1.00 0.41 O ATOM 0 H GLY A 14 -10.190 1.162 8.505 1.00 0.28 H new ATOM 0 HA2 GLY A 14 -11.404 -0.730 8.575 1.00 0.35 H new ATOM 0 HA3 GLY A 14 -12.618 0.037 7.571 1.00 0.35 H new ATOM 188 N ALA A 15 -9.886 -0.842 6.042 1.00 0.35 N ATOM 189 CA ALA A 15 -9.360 -1.525 4.870 1.00 0.39 C ATOM 190 C ALA A 15 -9.150 -3.012 5.134 1.00 0.39 C ATOM 191 O ALA A 15 -9.175 -3.819 4.213 1.00 0.42 O ATOM 192 CB ALA A 15 -8.064 -0.866 4.419 1.00 0.44 C ATOM 0 H ALA A 15 -9.223 -0.211 6.491 1.00 0.35 H new ATOM 0 HA ALA A 15 -10.096 -1.440 4.070 1.00 0.39 H new ATOM 0 HB1 ALA A 15 -7.678 -1.385 3.541 1.00 0.44 H new ATOM 0 HB2 ALA A 15 -8.254 0.178 4.169 1.00 0.44 H new ATOM 0 HB3 ALA A 15 -7.330 -0.919 5.223 1.00 0.44 H new ATOM 198 N GLU A 16 -8.969 -3.377 6.399 1.00 0.38 N ATOM 199 CA GLU A 16 -8.764 -4.779 6.761 1.00 0.38 C ATOM 200 C GLU A 16 -9.982 -5.614 6.401 1.00 0.36 C ATOM 201 O GLU A 16 -9.870 -6.805 6.138 1.00 0.37 O ATOM 202 CB GLU A 16 -8.455 -4.935 8.249 1.00 0.45 C ATOM 203 CG GLU A 16 -9.535 -4.359 9.152 1.00 0.57 C ATOM 204 CD GLU A 16 -9.366 -4.749 10.604 1.00 1.19 C ATOM 205 OE1 GLU A 16 -8.656 -4.031 11.336 1.00 1.60 O ATOM 206 OE2 GLU A 16 -9.924 -5.784 11.014 1.00 1.54 O ATOM 0 H GLU A 16 -8.960 -2.729 7.187 1.00 0.38 H new ATOM 0 HA GLU A 16 -7.905 -5.136 6.192 1.00 0.38 H new ATOM 0 HB2 GLU A 16 -8.327 -5.993 8.477 1.00 0.45 H new ATOM 0 HB3 GLU A 16 -7.507 -4.444 8.469 1.00 0.45 H new ATOM 0 HG2 GLU A 16 -9.526 -3.272 9.071 1.00 0.57 H new ATOM 0 HG3 GLU A 16 -10.511 -4.697 8.803 1.00 0.57 H new ATOM 213 N LEU A 17 -11.145 -4.981 6.390 1.00 0.35 N ATOM 214 CA LEU A 17 -12.387 -5.663 6.056 1.00 0.37 C ATOM 215 C LEU A 17 -12.400 -6.079 4.586 1.00 0.36 C ATOM 216 O LEU A 17 -13.245 -6.864 4.161 1.00 0.41 O ATOM 217 CB LEU A 17 -13.576 -4.758 6.378 1.00 0.39 C ATOM 218 CG LEU A 17 -13.650 -4.301 7.838 1.00 0.41 C ATOM 219 CD1 LEU A 17 -14.825 -3.361 8.045 1.00 0.88 C ATOM 220 CD2 LEU A 17 -13.759 -5.501 8.767 1.00 0.83 C ATOM 0 H LEU A 17 -11.255 -3.991 6.610 1.00 0.35 H new ATOM 0 HA LEU A 17 -12.464 -6.569 6.656 1.00 0.37 H new ATOM 0 HB2 LEU A 17 -13.530 -3.878 5.737 1.00 0.39 H new ATOM 0 HB3 LEU A 17 -14.496 -5.286 6.129 1.00 0.39 H new ATOM 0 HG LEU A 17 -12.733 -3.762 8.076 1.00 0.41 H new ATOM 0 HD11 LEU A 17 -14.861 -3.047 9.088 1.00 0.88 H new ATOM 0 HD12 LEU A 17 -14.707 -2.485 7.407 1.00 0.88 H new ATOM 0 HD13 LEU A 17 -15.752 -3.875 7.789 1.00 0.88 H new ATOM 0 HD21 LEU A 17 -13.811 -5.158 9.800 1.00 0.83 H new ATOM 0 HD22 LEU A 17 -14.660 -6.066 8.527 1.00 0.83 H new ATOM 0 HD23 LEU A 17 -12.885 -6.140 8.640 1.00 0.83 H new ATOM 232 N LEU A 18 -11.451 -5.555 3.819 1.00 0.35 N ATOM 233 CA LEU A 18 -11.261 -5.976 2.438 1.00 0.39 C ATOM 234 C LEU A 18 -10.341 -7.184 2.419 1.00 0.42 C ATOM 235 O LEU A 18 -10.329 -7.965 1.469 1.00 0.49 O ATOM 236 CB LEU A 18 -10.606 -4.864 1.609 1.00 0.38 C ATOM 237 CG LEU A 18 -11.232 -3.473 1.730 1.00 0.42 C ATOM 238 CD1 LEU A 18 -10.252 -2.414 1.256 1.00 0.47 C ATOM 239 CD2 LEU A 18 -12.517 -3.390 0.922 1.00 0.49 C ATOM 0 H LEU A 18 -10.800 -4.835 4.132 1.00 0.35 H new ATOM 0 HA LEU A 18 -12.236 -6.212 2.011 1.00 0.39 H new ATOM 0 HB2 LEU A 18 -9.557 -4.794 1.898 1.00 0.38 H new ATOM 0 HB3 LEU A 18 -10.629 -5.160 0.560 1.00 0.38 H new ATOM 0 HG LEU A 18 -11.470 -3.294 2.779 1.00 0.42 H new ATOM 0 HD11 LEU A 18 -10.709 -1.429 1.347 1.00 0.47 H new ATOM 0 HD12 LEU A 18 -9.350 -2.453 1.867 1.00 0.47 H new ATOM 0 HD13 LEU A 18 -9.993 -2.599 0.214 1.00 0.47 H new ATOM 0 HD21 LEU A 18 -12.946 -2.393 1.022 1.00 0.49 H new ATOM 0 HD22 LEU A 18 -12.300 -3.588 -0.128 1.00 0.49 H new ATOM 0 HD23 LEU A 18 -13.228 -4.129 1.292 1.00 0.49 H new ATOM 251 N PHE A 19 -9.582 -7.323 3.502 1.00 0.39 N ATOM 252 CA PHE A 19 -8.453 -8.240 3.551 1.00 0.47 C ATOM 253 C PHE A 19 -8.659 -9.351 4.575 1.00 0.60 C ATOM 254 O PHE A 19 -7.697 -10.011 4.968 1.00 0.97 O ATOM 255 CB PHE A 19 -7.188 -7.468 3.915 1.00 0.45 C ATOM 256 CG PHE A 19 -6.945 -6.249 3.077 1.00 0.43 C ATOM 257 CD1 PHE A 19 -7.214 -6.267 1.719 1.00 0.42 C ATOM 258 CD2 PHE A 19 -6.454 -5.087 3.642 1.00 0.71 C ATOM 259 CE1 PHE A 19 -6.996 -5.148 0.940 1.00 0.52 C ATOM 260 CE2 PHE A 19 -6.234 -3.969 2.872 1.00 0.75 C ATOM 261 CZ PHE A 19 -6.482 -3.993 1.531 1.00 0.59 C ATOM 0 H PHE A 19 -9.733 -6.804 4.367 1.00 0.39 H new ATOM 0 HA PHE A 19 -8.361 -8.698 2.566 1.00 0.47 H new ATOM 0 HB2 PHE A 19 -7.248 -7.169 4.961 1.00 0.45 H new ATOM 0 HB3 PHE A 19 -6.331 -8.135 3.823 1.00 0.45 H new ATOM 0 HD1 PHE A 19 -7.599 -7.167 1.263 1.00 0.42 H new ATOM 0 HD2 PHE A 19 -6.241 -5.057 4.700 1.00 0.71 H new ATOM 0 HE1 PHE A 19 -7.221 -5.166 -0.116 1.00 0.52 H new ATOM 0 HE2 PHE A 19 -5.862 -3.066 3.332 1.00 0.75 H new ATOM 0 HZ PHE A 19 -6.281 -3.120 0.928 1.00 0.59 H new ATOM 271 N ASP A 20 -9.904 -9.539 5.011 1.00 0.55 N ATOM 272 CA ASP A 20 -10.261 -10.605 5.962 1.00 0.69 C ATOM 273 C ASP A 20 -9.791 -10.276 7.385 1.00 0.72 C ATOM 274 O ASP A 20 -9.794 -11.130 8.271 1.00 1.07 O ATOM 275 CB ASP A 20 -9.688 -11.956 5.502 1.00 0.80 C ATOM 276 CG ASP A 20 -10.279 -13.141 6.240 1.00 1.16 C ATOM 277 OD1 ASP A 20 -11.464 -13.466 6.015 1.00 1.55 O ATOM 278 OD2 ASP A 20 -9.560 -13.739 7.072 1.00 1.28 O ATOM 0 H ASP A 20 -10.694 -8.963 4.720 1.00 0.55 H new ATOM 0 HA ASP A 20 -11.349 -10.676 5.983 1.00 0.69 H new ATOM 0 HB2 ASP A 20 -9.869 -12.075 4.434 1.00 0.80 H new ATOM 0 HB3 ASP A 20 -8.607 -11.951 5.643 1.00 0.80 H new ATOM 283 N GLY A 21 -9.406 -9.026 7.610 1.00 0.57 N ATOM 284 CA GLY A 21 -9.040 -8.594 8.950 1.00 0.59 C ATOM 285 C GLY A 21 -7.544 -8.515 9.180 1.00 0.59 C ATOM 286 O GLY A 21 -7.104 -8.252 10.299 1.00 0.79 O ATOM 0 H GLY A 21 -9.340 -8.304 6.893 1.00 0.57 H new ATOM 0 HA2 GLY A 21 -9.479 -7.614 9.139 1.00 0.59 H new ATOM 0 HA3 GLY A 21 -9.474 -9.283 9.675 1.00 0.59 H new ATOM 290 N VAL A 22 -6.750 -8.752 8.147 1.00 0.51 N ATOM 291 CA VAL A 22 -5.315 -8.551 8.265 1.00 0.53 C ATOM 292 C VAL A 22 -5.015 -7.057 8.186 1.00 0.45 C ATOM 293 O VAL A 22 -5.535 -6.349 7.321 1.00 0.47 O ATOM 294 CB VAL A 22 -4.512 -9.339 7.204 1.00 0.68 C ATOM 295 CG1 VAL A 22 -4.850 -8.882 5.801 1.00 1.02 C ATOM 296 CG2 VAL A 22 -3.017 -9.225 7.465 1.00 1.41 C ATOM 0 H VAL A 22 -7.067 -9.078 7.234 1.00 0.51 H new ATOM 0 HA VAL A 22 -4.995 -8.942 9.231 1.00 0.53 H new ATOM 0 HB VAL A 22 -4.796 -10.388 7.286 1.00 0.68 H new ATOM 0 HG11 VAL A 22 -4.268 -9.457 5.081 1.00 1.02 H new ATOM 0 HG12 VAL A 22 -5.913 -9.036 5.614 1.00 1.02 H new ATOM 0 HG13 VAL A 22 -4.613 -7.823 5.696 1.00 1.02 H new ATOM 0 HG21 VAL A 22 -2.471 -9.787 6.707 1.00 1.41 H new ATOM 0 HG22 VAL A 22 -2.719 -8.177 7.424 1.00 1.41 H new ATOM 0 HG23 VAL A 22 -2.788 -9.629 8.451 1.00 1.41 H new ATOM 306 N LYS A 23 -4.213 -6.576 9.123 1.00 0.48 N ATOM 307 CA LYS A 23 -4.019 -5.144 9.298 1.00 0.52 C ATOM 308 C LYS A 23 -2.575 -4.741 9.021 1.00 0.40 C ATOM 309 O LYS A 23 -2.253 -4.262 7.937 1.00 0.37 O ATOM 310 CB LYS A 23 -4.406 -4.764 10.723 1.00 0.75 C ATOM 311 CG LYS A 23 -5.749 -5.336 11.144 1.00 0.85 C ATOM 312 CD LYS A 23 -5.906 -5.328 12.651 1.00 1.06 C ATOM 313 CE LYS A 23 -5.929 -3.914 13.200 1.00 1.11 C ATOM 314 NZ LYS A 23 -7.317 -3.484 13.513 1.00 2.07 N ATOM 0 H LYS A 23 -3.685 -7.156 9.775 1.00 0.48 H new ATOM 0 HA LYS A 23 -4.650 -4.614 8.585 1.00 0.52 H new ATOM 0 HB2 LYS A 23 -3.636 -5.116 11.409 1.00 0.75 H new ATOM 0 HB3 LYS A 23 -4.437 -3.678 10.808 1.00 0.75 H new ATOM 0 HG2 LYS A 23 -6.552 -4.755 10.690 1.00 0.85 H new ATOM 0 HG3 LYS A 23 -5.844 -6.356 10.772 1.00 0.85 H new ATOM 0 HD2 LYS A 23 -6.828 -5.841 12.925 1.00 1.06 H new ATOM 0 HD3 LYS A 23 -5.086 -5.883 13.106 1.00 1.06 H new ATOM 0 HE2 LYS A 23 -5.317 -3.860 14.100 1.00 1.11 H new ATOM 0 HE3 LYS A 23 -5.489 -3.231 12.473 1.00 1.11 H new ATOM 0 HZ1 LYS A 23 -7.292 -2.709 14.206 1.00 2.07 H new ATOM 0 HZ2 LYS A 23 -7.783 -3.156 12.643 1.00 2.07 H new ATOM 0 HZ3 LYS A 23 -7.848 -4.286 13.909 1.00 2.07 H new ATOM 328 N LYS A 24 -1.719 -4.923 10.017 1.00 0.38 N ATOM 329 CA LYS A 24 -0.296 -4.657 9.880 1.00 0.33 C ATOM 330 C LYS A 24 0.412 -5.824 9.208 1.00 0.34 C ATOM 331 O LYS A 24 0.459 -6.937 9.733 1.00 0.47 O ATOM 332 CB LYS A 24 0.321 -4.377 11.250 1.00 0.43 C ATOM 333 CG LYS A 24 1.822 -4.149 11.208 1.00 0.49 C ATOM 334 CD LYS A 24 2.371 -3.825 12.593 1.00 0.66 C ATOM 335 CE LYS A 24 3.890 -3.716 12.598 1.00 1.04 C ATOM 336 NZ LYS A 24 4.553 -5.042 12.474 1.00 1.59 N ATOM 0 H LYS A 24 -1.992 -5.259 10.941 1.00 0.38 H new ATOM 0 HA LYS A 24 -0.170 -3.777 9.250 1.00 0.33 H new ATOM 0 HB2 LYS A 24 -0.159 -3.499 11.682 1.00 0.43 H new ATOM 0 HB3 LYS A 24 0.108 -5.216 11.913 1.00 0.43 H new ATOM 0 HG2 LYS A 24 2.316 -5.038 10.817 1.00 0.49 H new ATOM 0 HG3 LYS A 24 2.049 -3.331 10.524 1.00 0.49 H new ATOM 0 HD2 LYS A 24 1.940 -2.887 12.943 1.00 0.66 H new ATOM 0 HD3 LYS A 24 2.062 -4.599 13.295 1.00 0.66 H new ATOM 0 HE2 LYS A 24 4.208 -3.075 11.776 1.00 1.04 H new ATOM 0 HE3 LYS A 24 4.214 -3.235 13.521 1.00 1.04 H new ATOM 0 HZ1 LYS A 24 5.585 -4.919 12.516 1.00 1.59 H new ATOM 0 HZ2 LYS A 24 4.245 -5.658 13.253 1.00 1.59 H new ATOM 0 HZ3 LYS A 24 4.293 -5.477 11.566 1.00 1.59 H new ATOM 350 N HIS A 25 0.958 -5.548 8.041 1.00 0.29 N ATOM 351 CA HIS A 25 1.674 -6.536 7.259 1.00 0.34 C ATOM 352 C HIS A 25 3.073 -6.023 6.936 1.00 0.34 C ATOM 353 O HIS A 25 3.232 -5.031 6.223 1.00 0.43 O ATOM 354 CB HIS A 25 0.904 -6.831 5.969 1.00 0.42 C ATOM 355 CG HIS A 25 1.578 -7.820 5.067 1.00 0.69 C ATOM 356 ND1 HIS A 25 2.306 -7.450 3.953 1.00 1.46 N ATOM 357 CD2 HIS A 25 1.625 -9.172 5.111 1.00 1.39 C ATOM 358 CE1 HIS A 25 2.769 -8.533 3.355 1.00 1.58 C ATOM 359 NE2 HIS A 25 2.371 -9.586 4.039 1.00 1.44 N ATOM 0 H HIS A 25 0.917 -4.626 7.606 1.00 0.29 H new ATOM 0 HA HIS A 25 1.763 -7.458 7.834 1.00 0.34 H new ATOM 0 HB2 HIS A 25 -0.086 -7.207 6.227 1.00 0.42 H new ATOM 0 HB3 HIS A 25 0.759 -5.898 5.424 1.00 0.42 H new ATOM 0 HD2 HIS A 25 1.161 -9.806 5.852 1.00 1.39 H new ATOM 0 HE1 HIS A 25 3.371 -8.552 2.459 1.00 1.58 H new ATOM 0 HE2 HIS A 25 2.584 -10.556 3.807 1.00 1.44 H new ATOM 368 N GLN A 26 4.077 -6.699 7.464 1.00 0.36 N ATOM 369 CA GLN A 26 5.460 -6.310 7.244 1.00 0.38 C ATOM 370 C GLN A 26 6.018 -6.970 5.988 1.00 0.33 C ATOM 371 O GLN A 26 5.694 -8.118 5.680 1.00 0.47 O ATOM 372 CB GLN A 26 6.315 -6.692 8.455 1.00 0.54 C ATOM 373 CG GLN A 26 7.779 -6.314 8.309 1.00 0.67 C ATOM 374 CD GLN A 26 8.621 -6.785 9.475 1.00 1.12 C ATOM 375 OE1 GLN A 26 9.155 -7.894 9.463 1.00 1.84 O ATOM 376 NE2 GLN A 26 8.758 -5.942 10.485 1.00 1.59 N ATOM 0 H GLN A 26 3.960 -7.525 8.051 1.00 0.36 H new ATOM 0 HA GLN A 26 5.491 -5.229 7.109 1.00 0.38 H new ATOM 0 HB2 GLN A 26 5.910 -6.207 9.343 1.00 0.54 H new ATOM 0 HB3 GLN A 26 6.240 -7.767 8.617 1.00 0.54 H new ATOM 0 HG2 GLN A 26 8.171 -6.742 7.386 1.00 0.67 H new ATOM 0 HG3 GLN A 26 7.864 -5.231 8.219 1.00 0.67 H new ATOM 0 HE21 GLN A 26 8.298 -5.032 10.456 1.00 1.59 H new ATOM 0 HE22 GLN A 26 9.323 -6.202 11.293 1.00 1.59 H new ATOM 385 N VAL A 27 6.839 -6.226 5.259 1.00 0.29 N ATOM 386 CA VAL A 27 7.559 -6.764 4.120 1.00 0.29 C ATOM 387 C VAL A 27 8.977 -6.189 4.094 1.00 0.28 C ATOM 388 O VAL A 27 9.185 -5.005 4.385 1.00 0.31 O ATOM 389 CB VAL A 27 6.817 -6.487 2.787 1.00 0.35 C ATOM 390 CG1 VAL A 27 6.573 -5.000 2.586 1.00 0.44 C ATOM 391 CG2 VAL A 27 7.581 -7.071 1.608 1.00 0.44 C ATOM 0 H VAL A 27 7.022 -5.239 5.441 1.00 0.29 H new ATOM 0 HA VAL A 27 7.615 -7.847 4.227 1.00 0.29 H new ATOM 0 HB VAL A 27 5.846 -6.979 2.843 1.00 0.35 H new ATOM 0 HG11 VAL A 27 6.051 -4.841 1.642 1.00 0.44 H new ATOM 0 HG12 VAL A 27 5.965 -4.617 3.406 1.00 0.44 H new ATOM 0 HG13 VAL A 27 7.528 -4.474 2.566 1.00 0.44 H new ATOM 0 HG21 VAL A 27 7.040 -6.863 0.685 1.00 0.44 H new ATOM 0 HG22 VAL A 27 8.572 -6.620 1.557 1.00 0.44 H new ATOM 0 HG23 VAL A 27 7.679 -8.149 1.736 1.00 0.44 H new ATOM 401 N ALA A 28 9.953 -7.034 3.790 1.00 0.31 N ATOM 402 CA ALA A 28 11.351 -6.639 3.851 1.00 0.33 C ATOM 403 C ALA A 28 11.934 -6.434 2.457 1.00 0.28 C ATOM 404 O ALA A 28 11.757 -7.269 1.571 1.00 0.29 O ATOM 405 CB ALA A 28 12.149 -7.678 4.624 1.00 0.41 C ATOM 0 H ALA A 28 9.800 -7.999 3.498 1.00 0.31 H new ATOM 0 HA ALA A 28 11.414 -5.684 4.373 1.00 0.33 H new ATOM 0 HB1 ALA A 28 13.195 -7.376 4.666 1.00 0.41 H new ATOM 0 HB2 ALA A 28 11.754 -7.760 5.637 1.00 0.41 H new ATOM 0 HB3 ALA A 28 12.070 -8.643 4.124 1.00 0.41 H new ATOM 411 N LEU A 29 12.634 -5.319 2.276 1.00 0.28 N ATOM 412 CA LEU A 29 13.199 -4.953 0.984 1.00 0.28 C ATOM 413 C LEU A 29 14.501 -5.710 0.729 1.00 0.32 C ATOM 414 O LEU A 29 15.247 -5.997 1.663 1.00 0.36 O ATOM 415 CB LEU A 29 13.441 -3.436 0.932 1.00 0.35 C ATOM 416 CG LEU A 29 12.216 -2.566 0.604 1.00 0.38 C ATOM 417 CD1 LEU A 29 11.869 -2.683 -0.866 1.00 1.13 C ATOM 418 CD2 LEU A 29 11.014 -2.946 1.458 1.00 1.04 C ATOM 0 H LEU A 29 12.825 -4.646 3.019 1.00 0.28 H new ATOM 0 HA LEU A 29 12.490 -5.227 0.202 1.00 0.28 H new ATOM 0 HB2 LEU A 29 13.839 -3.119 1.896 1.00 0.35 H new ATOM 0 HB3 LEU A 29 14.212 -3.237 0.188 1.00 0.35 H new ATOM 0 HG LEU A 29 12.473 -1.531 0.831 1.00 0.38 H new ATOM 0 HD11 LEU A 29 11.000 -2.062 -1.085 1.00 1.13 H new ATOM 0 HD12 LEU A 29 12.715 -2.349 -1.467 1.00 1.13 H new ATOM 0 HD13 LEU A 29 11.642 -3.722 -1.105 1.00 1.13 H new ATOM 0 HD21 LEU A 29 10.168 -2.310 1.198 1.00 1.04 H new ATOM 0 HD22 LEU A 29 10.754 -3.989 1.276 1.00 1.04 H new ATOM 0 HD23 LEU A 29 11.259 -2.811 2.512 1.00 1.04 H new ATOM 430 N PRO A 30 14.770 -6.066 -0.539 1.00 0.38 N ATOM 431 CA PRO A 30 15.983 -6.804 -0.926 1.00 0.53 C ATOM 432 C PRO A 30 17.264 -5.999 -0.716 1.00 0.76 C ATOM 433 O PRO A 30 18.192 -6.465 -0.057 1.00 1.64 O ATOM 434 CB PRO A 30 15.773 -7.096 -2.417 1.00 0.52 C ATOM 435 CG PRO A 30 14.315 -6.898 -2.647 1.00 0.51 C ATOM 436 CD PRO A 30 13.902 -5.816 -1.695 1.00 0.41 C ATOM 0 HA PRO A 30 16.114 -7.698 -0.316 1.00 0.53 H new ATOM 0 HB2 PRO A 30 16.365 -6.424 -3.038 1.00 0.52 H new ATOM 0 HB3 PRO A 30 16.078 -8.112 -2.667 1.00 0.52 H new ATOM 0 HG2 PRO A 30 14.116 -6.609 -3.679 1.00 0.51 H new ATOM 0 HG3 PRO A 30 13.760 -7.817 -2.461 1.00 0.51 H new ATOM 0 HD2 PRO A 30 14.061 -4.823 -2.115 1.00 0.41 H new ATOM 0 HD3 PRO A 30 12.846 -5.886 -1.433 1.00 0.41 H new ATOM 483 N GLU A 34 14.978 -3.587 -5.307 1.00 0.54 N ATOM 484 CA GLU A 34 13.835 -3.402 -4.416 1.00 0.56 C ATOM 485 C GLU A 34 12.535 -3.283 -5.208 1.00 0.48 C ATOM 486 O GLU A 34 12.062 -2.183 -5.489 1.00 0.58 O ATOM 487 CB GLU A 34 14.045 -2.177 -3.519 1.00 0.72 C ATOM 488 CG GLU A 34 15.407 -2.174 -2.842 1.00 0.96 C ATOM 489 CD GLU A 34 15.639 -0.959 -1.972 1.00 1.55 C ATOM 490 OE1 GLU A 34 15.807 0.144 -2.531 1.00 2.31 O ATOM 491 OE2 GLU A 34 15.640 -1.099 -0.731 1.00 1.97 O ATOM 0 HA GLU A 34 13.755 -4.283 -3.779 1.00 0.56 H new ATOM 0 HB2 GLU A 34 13.938 -1.271 -4.116 1.00 0.72 H new ATOM 0 HB3 GLU A 34 13.265 -2.151 -2.758 1.00 0.72 H new ATOM 0 HG2 GLU A 34 15.504 -3.073 -2.233 1.00 0.96 H new ATOM 0 HG3 GLU A 34 16.184 -2.220 -3.605 1.00 0.96 H new ATOM 498 N PRO A 35 11.936 -4.429 -5.570 1.00 0.41 N ATOM 499 CA PRO A 35 10.729 -4.475 -6.397 1.00 0.40 C ATOM 500 C PRO A 35 9.467 -4.296 -5.570 1.00 0.35 C ATOM 501 O PRO A 35 8.356 -4.531 -6.042 1.00 0.39 O ATOM 502 CB PRO A 35 10.782 -5.882 -6.979 1.00 0.48 C ATOM 503 CG PRO A 35 11.425 -6.698 -5.912 1.00 0.50 C ATOM 504 CD PRO A 35 12.379 -5.782 -5.187 1.00 0.46 C ATOM 0 HA PRO A 35 10.700 -3.681 -7.143 1.00 0.40 H new ATOM 0 HB2 PRO A 35 9.785 -6.252 -7.216 1.00 0.48 H new ATOM 0 HB3 PRO A 35 11.360 -5.909 -7.903 1.00 0.48 H new ATOM 0 HG2 PRO A 35 10.678 -7.100 -5.228 1.00 0.50 H new ATOM 0 HG3 PRO A 35 11.955 -7.549 -6.341 1.00 0.50 H new ATOM 0 HD2 PRO A 35 12.329 -5.928 -4.108 1.00 0.46 H new ATOM 0 HD3 PRO A 35 13.411 -5.963 -5.486 1.00 0.46 H new ATOM 512 N TRP A 36 9.649 -3.873 -4.333 1.00 0.30 N ATOM 513 CA TRP A 36 8.542 -3.721 -3.409 1.00 0.27 C ATOM 514 C TRP A 36 7.951 -2.322 -3.503 1.00 0.24 C ATOM 515 O TRP A 36 7.408 -1.805 -2.527 1.00 0.25 O ATOM 516 CB TRP A 36 8.999 -4.032 -1.974 1.00 0.28 C ATOM 517 CG TRP A 36 9.415 -5.463 -1.781 1.00 0.29 C ATOM 518 CD1 TRP A 36 10.319 -5.931 -0.873 1.00 0.32 C ATOM 519 CD2 TRP A 36 8.950 -6.614 -2.511 1.00 0.31 C ATOM 520 NE1 TRP A 36 10.441 -7.292 -0.986 1.00 0.34 N ATOM 521 CE2 TRP A 36 9.612 -7.736 -1.981 1.00 0.34 C ATOM 522 CE3 TRP A 36 8.037 -6.807 -3.555 1.00 0.35 C ATOM 523 CZ2 TRP A 36 9.391 -9.026 -2.458 1.00 0.38 C ATOM 524 CZ3 TRP A 36 7.822 -8.085 -4.027 1.00 0.41 C ATOM 525 CH2 TRP A 36 8.492 -9.182 -3.477 1.00 0.42 C ATOM 0 H TRP A 36 10.559 -3.627 -3.944 1.00 0.30 H new ATOM 0 HA TRP A 36 7.762 -4.432 -3.681 1.00 0.27 H new ATOM 0 HB2 TRP A 36 9.834 -3.380 -1.716 1.00 0.28 H new ATOM 0 HB3 TRP A 36 8.188 -3.800 -1.283 1.00 0.28 H new ATOM 0 HD1 TRP A 36 10.860 -5.318 -0.167 1.00 0.32 H new ATOM 0 HE1 TRP A 36 11.052 -7.880 -0.419 1.00 0.34 H new ATOM 0 HE3 TRP A 36 7.509 -5.968 -3.984 1.00 0.35 H new ATOM 0 HZ2 TRP A 36 9.912 -9.874 -2.038 1.00 0.38 H new ATOM 0 HZ3 TRP A 36 7.124 -8.241 -4.836 1.00 0.41 H new ATOM 0 HH2 TRP A 36 8.296 -10.171 -3.864 1.00 0.42 H new ATOM 536 N ASP A 37 8.055 -1.714 -4.690 1.00 0.24 N ATOM 537 CA ASP A 37 7.489 -0.387 -4.925 1.00 0.21 C ATOM 538 C ASP A 37 5.993 -0.433 -4.658 1.00 0.21 C ATOM 539 O ASP A 37 5.380 -1.502 -4.725 1.00 0.24 O ATOM 540 CB ASP A 37 7.714 0.095 -6.364 1.00 0.25 C ATOM 541 CG ASP A 37 8.982 -0.436 -6.993 1.00 0.82 C ATOM 542 OD1 ASP A 37 8.976 -1.583 -7.480 1.00 1.59 O ATOM 543 OD2 ASP A 37 9.999 0.286 -6.973 1.00 1.21 O ATOM 0 H ASP A 37 8.525 -2.121 -5.499 1.00 0.24 H new ATOM 0 HA ASP A 37 7.991 0.309 -4.254 1.00 0.21 H new ATOM 0 HB2 ASP A 37 6.863 -0.205 -6.975 1.00 0.25 H new ATOM 0 HB3 ASP A 37 7.744 1.185 -6.372 1.00 0.25 H new ATOM 548 N ILE A 38 5.401 0.719 -4.396 1.00 0.20 N ATOM 549 CA ILE A 38 3.997 0.785 -3.993 1.00 0.20 C ATOM 550 C ILE A 38 3.077 0.114 -5.021 1.00 0.20 C ATOM 551 O ILE A 38 2.123 -0.567 -4.648 1.00 0.23 O ATOM 552 CB ILE A 38 3.542 2.244 -3.763 1.00 0.20 C ATOM 553 CG1 ILE A 38 4.604 3.015 -2.965 1.00 0.20 C ATOM 554 CG2 ILE A 38 2.203 2.278 -3.039 1.00 0.23 C ATOM 555 CD1 ILE A 38 4.961 2.416 -1.617 1.00 0.24 C ATOM 0 H ILE A 38 5.866 1.625 -4.454 1.00 0.20 H new ATOM 0 HA ILE A 38 3.919 0.240 -3.052 1.00 0.20 H new ATOM 0 HB ILE A 38 3.420 2.725 -4.733 1.00 0.20 H new ATOM 0 HG12 ILE A 38 5.510 3.081 -3.567 1.00 0.20 H new ATOM 0 HG13 ILE A 38 4.250 4.034 -2.809 1.00 0.20 H new ATOM 0 HG21 ILE A 38 1.898 3.313 -2.886 1.00 0.23 H new ATOM 0 HG22 ILE A 38 1.452 1.764 -3.639 1.00 0.23 H new ATOM 0 HG23 ILE A 38 2.299 1.781 -2.074 1.00 0.23 H new ATOM 0 HD11 ILE A 38 5.718 3.033 -1.134 1.00 0.24 H new ATOM 0 HD12 ILE A 38 4.071 2.376 -0.989 1.00 0.24 H new ATOM 0 HD13 ILE A 38 5.351 1.408 -1.759 1.00 0.24 H new ATOM 567 N ARG A 39 3.377 0.283 -6.311 1.00 0.19 N ATOM 568 CA ARG A 39 2.550 -0.307 -7.367 1.00 0.20 C ATOM 569 C ARG A 39 2.534 -1.840 -7.272 1.00 0.19 C ATOM 570 O ARG A 39 1.514 -2.475 -7.536 1.00 0.25 O ATOM 571 CB ARG A 39 3.030 0.118 -8.764 1.00 0.31 C ATOM 572 CG ARG A 39 4.172 -0.722 -9.312 1.00 0.99 C ATOM 573 CD ARG A 39 5.527 -0.110 -9.016 1.00 1.11 C ATOM 574 NE ARG A 39 5.905 0.867 -10.032 1.00 1.63 N ATOM 575 CZ ARG A 39 7.126 0.962 -10.557 1.00 2.06 C ATOM 576 NH1 ARG A 39 8.095 0.146 -10.161 1.00 2.03 N ATOM 577 NH2 ARG A 39 7.374 1.864 -11.495 1.00 2.62 N ATOM 0 H ARG A 39 4.178 0.818 -6.648 1.00 0.19 H new ATOM 0 HA ARG A 39 1.537 0.066 -7.219 1.00 0.20 H new ATOM 0 HB2 ARG A 39 2.190 0.065 -9.456 1.00 0.31 H new ATOM 0 HB3 ARG A 39 3.346 1.160 -8.726 1.00 0.31 H new ATOM 0 HG2 ARG A 39 4.125 -1.722 -8.880 1.00 0.99 H new ATOM 0 HG3 ARG A 39 4.054 -0.834 -10.390 1.00 0.99 H new ATOM 0 HD2 ARG A 39 5.505 0.371 -8.038 1.00 1.11 H new ATOM 0 HD3 ARG A 39 6.280 -0.896 -8.968 1.00 1.11 H new ATOM 0 HE ARG A 39 5.191 1.517 -10.360 1.00 1.63 H new ATOM 0 HH11 ARG A 39 7.908 -0.561 -9.450 1.00 2.03 H new ATOM 0 HH12 ARG A 39 9.027 0.225 -10.568 1.00 2.03 H new ATOM 0 HH21 ARG A 39 6.631 2.485 -11.815 1.00 2.62 H new ATOM 0 HH22 ARG A 39 8.308 1.938 -11.898 1.00 2.62 H new ATOM 591 N ASN A 40 3.667 -2.432 -6.890 1.00 0.17 N ATOM 592 CA ASN A 40 3.785 -3.885 -6.810 1.00 0.18 C ATOM 593 C ASN A 40 3.140 -4.412 -5.541 1.00 0.18 C ATOM 594 O ASN A 40 2.568 -5.502 -5.530 1.00 0.22 O ATOM 595 CB ASN A 40 5.255 -4.289 -6.868 1.00 0.22 C ATOM 596 CG ASN A 40 5.834 -4.094 -8.252 1.00 0.40 C ATOM 597 OD1 ASN A 40 5.234 -4.486 -9.255 1.00 0.69 O ATOM 598 ND2 ASN A 40 6.972 -3.433 -8.322 1.00 0.59 N ATOM 0 H ASN A 40 4.514 -1.926 -6.632 1.00 0.17 H new ATOM 0 HA ASN A 40 3.262 -4.323 -7.660 1.00 0.18 H new ATOM 0 HB2 ASN A 40 5.823 -3.699 -6.149 1.00 0.22 H new ATOM 0 HB3 ASN A 40 5.357 -5.334 -6.574 1.00 0.22 H new ATOM 0 HD21 ASN A 40 7.388 -3.228 -9.231 1.00 0.59 H new ATOM 0 HD22 ASN A 40 7.437 -3.126 -7.468 1.00 0.59 H new ATOM 605 N LEU A 41 3.223 -3.634 -4.475 1.00 0.18 N ATOM 606 CA LEU A 41 2.557 -3.996 -3.232 1.00 0.19 C ATOM 607 C LEU A 41 1.054 -3.928 -3.411 1.00 0.19 C ATOM 608 O LEU A 41 0.310 -4.694 -2.805 1.00 0.21 O ATOM 609 CB LEU A 41 3.009 -3.092 -2.087 1.00 0.21 C ATOM 610 CG LEU A 41 4.155 -3.653 -1.246 1.00 0.26 C ATOM 611 CD1 LEU A 41 3.666 -4.829 -0.414 1.00 0.32 C ATOM 612 CD2 LEU A 41 5.303 -4.095 -2.138 1.00 0.29 C ATOM 0 H LEU A 41 3.740 -2.755 -4.443 1.00 0.18 H new ATOM 0 HA LEU A 41 2.833 -5.019 -2.975 1.00 0.19 H new ATOM 0 HB2 LEU A 41 3.316 -2.131 -2.500 1.00 0.21 H new ATOM 0 HB3 LEU A 41 2.157 -2.901 -1.435 1.00 0.21 H new ATOM 0 HG LEU A 41 4.511 -2.867 -0.580 1.00 0.26 H new ATOM 0 HD11 LEU A 41 4.490 -5.221 0.181 1.00 0.32 H new ATOM 0 HD12 LEU A 41 2.865 -4.499 0.248 1.00 0.32 H new ATOM 0 HD13 LEU A 41 3.291 -5.611 -1.074 1.00 0.32 H new ATOM 0 HD21 LEU A 41 6.110 -4.492 -1.522 1.00 0.29 H new ATOM 0 HD22 LEU A 41 4.955 -4.869 -2.823 1.00 0.29 H new ATOM 0 HD23 LEU A 41 5.669 -3.242 -2.710 1.00 0.29 H new ATOM 624 N LEU A 42 0.622 -3.009 -4.263 1.00 0.19 N ATOM 625 CA LEU A 42 -0.766 -2.940 -4.678 1.00 0.23 C ATOM 626 C LEU A 42 -1.191 -4.265 -5.294 1.00 0.21 C ATOM 627 O LEU A 42 -2.282 -4.754 -5.035 1.00 0.26 O ATOM 628 CB LEU A 42 -0.951 -1.789 -5.676 1.00 0.30 C ATOM 629 CG LEU A 42 -2.291 -1.738 -6.417 1.00 0.47 C ATOM 630 CD1 LEU A 42 -2.599 -0.315 -6.803 1.00 0.91 C ATOM 631 CD2 LEU A 42 -2.259 -2.593 -7.674 1.00 0.82 C ATOM 0 H LEU A 42 1.221 -2.297 -4.681 1.00 0.19 H new ATOM 0 HA LEU A 42 -1.396 -2.750 -3.809 1.00 0.23 H new ATOM 0 HB2 LEU A 42 -0.821 -0.849 -5.141 1.00 0.30 H new ATOM 0 HB3 LEU A 42 -0.153 -1.847 -6.416 1.00 0.30 H new ATOM 0 HG LEU A 42 -3.060 -2.127 -5.750 1.00 0.47 H new ATOM 0 HD11 LEU A 42 -3.552 -0.279 -7.330 1.00 0.91 H new ATOM 0 HD12 LEU A 42 -2.657 0.301 -5.906 1.00 0.91 H new ATOM 0 HD13 LEU A 42 -1.811 0.064 -7.453 1.00 0.91 H new ATOM 0 HD21 LEU A 42 -3.224 -2.536 -8.177 1.00 0.82 H new ATOM 0 HD22 LEU A 42 -1.479 -2.228 -8.342 1.00 0.82 H new ATOM 0 HD23 LEU A 42 -2.051 -3.628 -7.405 1.00 0.82 H new ATOM 643 N VAL A 43 -0.311 -4.847 -6.097 1.00 0.20 N ATOM 644 CA VAL A 43 -0.590 -6.116 -6.746 1.00 0.22 C ATOM 645 C VAL A 43 -0.711 -7.220 -5.711 1.00 0.22 C ATOM 646 O VAL A 43 -1.642 -8.025 -5.753 1.00 0.24 O ATOM 647 CB VAL A 43 0.510 -6.496 -7.753 1.00 0.27 C ATOM 648 CG1 VAL A 43 0.179 -7.819 -8.420 1.00 0.31 C ATOM 649 CG2 VAL A 43 0.699 -5.395 -8.783 1.00 0.32 C ATOM 0 H VAL A 43 0.606 -4.456 -6.314 1.00 0.20 H new ATOM 0 HA VAL A 43 -1.530 -6.002 -7.285 1.00 0.22 H new ATOM 0 HB VAL A 43 1.451 -6.612 -7.214 1.00 0.27 H new ATOM 0 HG11 VAL A 43 0.965 -8.075 -9.130 1.00 0.31 H new ATOM 0 HG12 VAL A 43 0.105 -8.600 -7.663 1.00 0.31 H new ATOM 0 HG13 VAL A 43 -0.771 -7.733 -8.947 1.00 0.31 H new ATOM 0 HG21 VAL A 43 1.481 -5.684 -9.485 1.00 0.32 H new ATOM 0 HG22 VAL A 43 -0.234 -5.239 -9.324 1.00 0.32 H new ATOM 0 HG23 VAL A 43 0.986 -4.472 -8.280 1.00 0.32 H new ATOM 659 N TRP A 44 0.236 -7.241 -4.780 1.00 0.23 N ATOM 660 CA TRP A 44 0.214 -8.204 -3.693 1.00 0.27 C ATOM 661 C TRP A 44 -1.100 -8.084 -2.928 1.00 0.28 C ATOM 662 O TRP A 44 -1.759 -9.084 -2.630 1.00 0.33 O ATOM 663 CB TRP A 44 1.397 -7.965 -2.744 1.00 0.31 C ATOM 664 CG TRP A 44 1.487 -8.968 -1.631 1.00 0.41 C ATOM 665 CD1 TRP A 44 0.792 -8.955 -0.452 1.00 0.45 C ATOM 666 CD2 TRP A 44 2.327 -10.128 -1.588 1.00 0.54 C ATOM 667 NE1 TRP A 44 1.136 -10.044 0.311 1.00 0.56 N ATOM 668 CE2 TRP A 44 2.081 -10.776 -0.362 1.00 0.61 C ATOM 669 CE3 TRP A 44 3.261 -10.685 -2.468 1.00 0.65 C ATOM 670 CZ2 TRP A 44 2.736 -11.950 0.004 1.00 0.76 C ATOM 671 CZ3 TRP A 44 3.911 -11.849 -2.100 1.00 0.81 C ATOM 672 CH2 TRP A 44 3.646 -12.470 -0.875 1.00 0.85 C ATOM 0 H TRP A 44 1.029 -6.599 -4.759 1.00 0.23 H new ATOM 0 HA TRP A 44 0.299 -9.208 -4.108 1.00 0.27 H new ATOM 0 HB2 TRP A 44 2.323 -7.988 -3.318 1.00 0.31 H new ATOM 0 HB3 TRP A 44 1.312 -6.966 -2.316 1.00 0.31 H new ATOM 0 HD1 TRP A 44 0.077 -8.199 -0.164 1.00 0.45 H new ATOM 0 HE1 TRP A 44 0.752 -10.271 1.228 1.00 0.56 H new ATOM 0 HE3 TRP A 44 3.471 -10.215 -3.417 1.00 0.65 H new ATOM 0 HZ2 TRP A 44 2.532 -12.433 0.949 1.00 0.76 H new ATOM 0 HZ3 TRP A 44 4.636 -12.286 -2.770 1.00 0.81 H new ATOM 0 HH2 TRP A 44 4.170 -13.378 -0.618 1.00 0.85 H new ATOM 683 N ILE A 45 -1.485 -6.846 -2.639 1.00 0.26 N ATOM 684 CA ILE A 45 -2.704 -6.584 -1.895 1.00 0.29 C ATOM 685 C ILE A 45 -3.938 -6.917 -2.729 1.00 0.31 C ATOM 686 O ILE A 45 -4.874 -7.534 -2.241 1.00 0.37 O ATOM 687 CB ILE A 45 -2.769 -5.114 -1.418 1.00 0.31 C ATOM 688 CG1 ILE A 45 -1.706 -4.859 -0.345 1.00 0.36 C ATOM 689 CG2 ILE A 45 -4.152 -4.779 -0.888 1.00 0.36 C ATOM 690 CD1 ILE A 45 -1.730 -3.452 0.215 1.00 0.47 C ATOM 0 H ILE A 45 -0.968 -6.010 -2.910 1.00 0.26 H new ATOM 0 HA ILE A 45 -2.691 -7.230 -1.017 1.00 0.29 H new ATOM 0 HB ILE A 45 -2.568 -4.466 -2.271 1.00 0.31 H new ATOM 0 HG12 ILE A 45 -1.849 -5.568 0.471 1.00 0.36 H new ATOM 0 HG13 ILE A 45 -0.721 -5.055 -0.768 1.00 0.36 H new ATOM 0 HG21 ILE A 45 -4.174 -3.740 -0.558 1.00 0.36 H new ATOM 0 HG22 ILE A 45 -4.889 -4.925 -1.677 1.00 0.36 H new ATOM 0 HG23 ILE A 45 -4.387 -5.431 -0.047 1.00 0.36 H new ATOM 0 HD11 ILE A 45 -0.950 -3.347 0.969 1.00 0.47 H new ATOM 0 HD12 ILE A 45 -1.556 -2.737 -0.589 1.00 0.47 H new ATOM 0 HD13 ILE A 45 -2.702 -3.258 0.669 1.00 0.47 H new ATOM 702 N LYS A 46 -3.924 -6.535 -3.992 1.00 0.29 N ATOM 703 CA LYS A 46 -5.074 -6.739 -4.860 1.00 0.35 C ATOM 704 C LYS A 46 -5.345 -8.224 -5.066 1.00 0.39 C ATOM 705 O LYS A 46 -6.421 -8.720 -4.729 1.00 0.44 O ATOM 706 CB LYS A 46 -4.835 -6.060 -6.212 1.00 0.39 C ATOM 707 CG LYS A 46 -6.048 -6.060 -7.127 1.00 0.91 C ATOM 708 CD LYS A 46 -5.724 -5.449 -8.483 1.00 0.91 C ATOM 709 CE LYS A 46 -4.791 -6.336 -9.291 1.00 1.26 C ATOM 710 NZ LYS A 46 -4.547 -5.798 -10.657 1.00 1.93 N ATOM 0 H LYS A 46 -3.129 -6.081 -4.442 1.00 0.29 H new ATOM 0 HA LYS A 46 -5.947 -6.295 -4.381 1.00 0.35 H new ATOM 0 HB2 LYS A 46 -4.523 -5.030 -6.039 1.00 0.39 H new ATOM 0 HB3 LYS A 46 -4.011 -6.562 -6.718 1.00 0.39 H new ATOM 0 HG2 LYS A 46 -6.403 -7.082 -7.263 1.00 0.91 H new ATOM 0 HG3 LYS A 46 -6.858 -5.501 -6.659 1.00 0.91 H new ATOM 0 HD2 LYS A 46 -6.647 -5.289 -9.040 1.00 0.91 H new ATOM 0 HD3 LYS A 46 -5.264 -4.471 -8.341 1.00 0.91 H new ATOM 0 HE2 LYS A 46 -3.841 -6.434 -8.766 1.00 1.26 H new ATOM 0 HE3 LYS A 46 -5.218 -7.336 -9.367 1.00 1.26 H new ATOM 0 HZ1 LYS A 46 -3.906 -6.435 -11.172 1.00 1.93 H new ATOM 0 HZ2 LYS A 46 -5.450 -5.728 -11.169 1.00 1.93 H new ATOM 0 HZ3 LYS A 46 -4.115 -4.855 -10.587 1.00 1.93 H new ATOM 724 N LYS A 47 -4.339 -8.931 -5.559 1.00 0.41 N ATOM 725 CA LYS A 47 -4.495 -10.330 -5.940 1.00 0.52 C ATOM 726 C LYS A 47 -4.770 -11.234 -4.745 1.00 0.57 C ATOM 727 O LYS A 47 -5.722 -12.017 -4.750 1.00 0.78 O ATOM 728 CB LYS A 47 -3.243 -10.826 -6.663 1.00 0.65 C ATOM 729 CG LYS A 47 -3.047 -10.238 -8.047 1.00 1.31 C ATOM 730 CD LYS A 47 -1.901 -10.933 -8.762 1.00 1.66 C ATOM 731 CE LYS A 47 -1.852 -10.576 -10.237 1.00 2.33 C ATOM 732 NZ LYS A 47 -0.797 -11.345 -10.949 1.00 2.96 N ATOM 0 H LYS A 47 -3.401 -8.558 -5.706 1.00 0.41 H new ATOM 0 HA LYS A 47 -5.359 -10.378 -6.603 1.00 0.52 H new ATOM 0 HB2 LYS A 47 -2.370 -10.592 -6.055 1.00 0.65 H new ATOM 0 HB3 LYS A 47 -3.292 -11.912 -6.746 1.00 0.65 H new ATOM 0 HG2 LYS A 47 -3.964 -10.345 -8.627 1.00 1.31 H new ATOM 0 HG3 LYS A 47 -2.841 -9.170 -7.969 1.00 1.31 H new ATOM 0 HD2 LYS A 47 -0.958 -10.656 -8.290 1.00 1.66 H new ATOM 0 HD3 LYS A 47 -2.007 -12.012 -8.653 1.00 1.66 H new ATOM 0 HE2 LYS A 47 -2.821 -10.777 -10.694 1.00 2.33 H new ATOM 0 HE3 LYS A 47 -1.663 -9.508 -10.348 1.00 2.33 H new ATOM 0 HZ1 LYS A 47 -0.791 -11.077 -11.954 1.00 2.96 H new ATOM 0 HZ2 LYS A 47 0.130 -11.134 -10.528 1.00 2.96 H new ATOM 0 HZ3 LYS A 47 -0.992 -12.363 -10.863 1.00 2.96 H new ATOM 746 N ASN A 48 -3.939 -11.128 -3.723 1.00 0.50 N ATOM 747 CA ASN A 48 -3.982 -12.081 -2.621 1.00 0.58 C ATOM 748 C ASN A 48 -4.853 -11.590 -1.472 1.00 0.58 C ATOM 749 O ASN A 48 -5.529 -12.380 -0.814 1.00 0.77 O ATOM 750 CB ASN A 48 -2.565 -12.353 -2.111 1.00 0.61 C ATOM 751 CG ASN A 48 -2.513 -13.483 -1.098 1.00 1.41 C ATOM 752 OD1 ASN A 48 -3.269 -14.451 -1.185 1.00 2.21 O ATOM 753 ND2 ASN A 48 -1.618 -13.370 -0.129 1.00 2.09 N ATOM 0 H ASN A 48 -3.231 -10.399 -3.630 1.00 0.50 H new ATOM 0 HA ASN A 48 -4.424 -13.001 -3.003 1.00 0.58 H new ATOM 0 HB2 ASN A 48 -1.920 -12.598 -2.955 1.00 0.61 H new ATOM 0 HB3 ASN A 48 -2.166 -11.446 -1.658 1.00 0.61 H new ATOM 0 HD21 ASN A 48 -1.538 -14.100 0.579 1.00 2.09 H new ATOM 0 HD22 ASN A 48 -1.009 -12.553 -0.090 1.00 2.09 H new ATOM 760 N LEU A 49 -4.864 -10.288 -1.247 1.00 0.42 N ATOM 761 CA LEU A 49 -5.463 -9.754 -0.036 1.00 0.44 C ATOM 762 C LEU A 49 -6.893 -9.259 -0.260 1.00 0.39 C ATOM 763 O LEU A 49 -7.754 -9.451 0.599 1.00 0.39 O ATOM 764 CB LEU A 49 -4.595 -8.627 0.518 1.00 0.50 C ATOM 765 CG LEU A 49 -4.585 -8.514 2.038 1.00 0.57 C ATOM 766 CD1 LEU A 49 -4.018 -9.778 2.657 1.00 1.32 C ATOM 767 CD2 LEU A 49 -3.787 -7.301 2.485 1.00 1.10 C ATOM 0 H LEU A 49 -4.471 -9.589 -1.877 1.00 0.42 H new ATOM 0 HA LEU A 49 -5.517 -10.568 0.687 1.00 0.44 H new ATOM 0 HB2 LEU A 49 -3.572 -8.772 0.172 1.00 0.50 H new ATOM 0 HB3 LEU A 49 -4.942 -7.682 0.100 1.00 0.50 H new ATOM 0 HG LEU A 49 -5.613 -8.389 2.378 1.00 0.57 H new ATOM 0 HD11 LEU A 49 -4.017 -9.683 3.743 1.00 1.32 H new ATOM 0 HD12 LEU A 49 -4.631 -10.631 2.368 1.00 1.32 H new ATOM 0 HD13 LEU A 49 -2.997 -9.929 2.305 1.00 1.32 H new ATOM 0 HD21 LEU A 49 -3.794 -7.242 3.573 1.00 1.10 H new ATOM 0 HD22 LEU A 49 -2.759 -7.392 2.133 1.00 1.10 H new ATOM 0 HD23 LEU A 49 -4.234 -6.398 2.069 1.00 1.10 H new ATOM 779 N LEU A 50 -7.149 -8.628 -1.402 1.00 0.39 N ATOM 780 CA LEU A 50 -8.459 -8.053 -1.676 1.00 0.39 C ATOM 781 C LEU A 50 -9.477 -9.166 -1.922 1.00 0.41 C ATOM 782 O LEU A 50 -9.358 -9.926 -2.880 1.00 0.50 O ATOM 783 CB LEU A 50 -8.376 -7.118 -2.891 1.00 0.47 C ATOM 784 CG LEU A 50 -9.303 -5.899 -2.860 1.00 0.44 C ATOM 785 CD1 LEU A 50 -10.756 -6.316 -2.873 1.00 0.51 C ATOM 786 CD2 LEU A 50 -9.020 -5.054 -1.634 1.00 0.62 C ATOM 0 H LEU A 50 -6.467 -8.503 -2.150 1.00 0.39 H new ATOM 0 HA LEU A 50 -8.784 -7.472 -0.813 1.00 0.39 H new ATOM 0 HB2 LEU A 50 -7.348 -6.767 -2.986 1.00 0.47 H new ATOM 0 HB3 LEU A 50 -8.599 -7.697 -3.787 1.00 0.47 H new ATOM 0 HG LEU A 50 -9.109 -5.309 -3.756 1.00 0.44 H new ATOM 0 HD11 LEU A 50 -11.389 -5.429 -2.850 1.00 0.51 H new ATOM 0 HD12 LEU A 50 -10.963 -6.886 -3.778 1.00 0.51 H new ATOM 0 HD13 LEU A 50 -10.965 -6.934 -1.999 1.00 0.51 H new ATOM 0 HD21 LEU A 50 -9.686 -4.191 -1.625 1.00 0.62 H new ATOM 0 HD22 LEU A 50 -9.185 -5.649 -0.736 1.00 0.62 H new ATOM 0 HD23 LEU A 50 -7.985 -4.713 -1.658 1.00 0.62 H new ATOM 798 N LYS A 51 -10.468 -9.262 -1.049 1.00 0.40 N ATOM 799 CA LYS A 51 -11.444 -10.345 -1.121 1.00 0.47 C ATOM 800 C LYS A 51 -12.731 -9.923 -1.827 1.00 0.52 C ATOM 801 O LYS A 51 -13.546 -10.769 -2.205 1.00 0.63 O ATOM 802 CB LYS A 51 -11.758 -10.853 0.289 1.00 0.52 C ATOM 803 CG LYS A 51 -10.530 -11.362 1.029 1.00 0.57 C ATOM 804 CD LYS A 51 -10.890 -11.996 2.361 1.00 1.08 C ATOM 805 CE LYS A 51 -11.864 -13.151 2.189 1.00 1.81 C ATOM 806 NZ LYS A 51 -11.891 -14.035 3.384 1.00 2.26 N ATOM 0 H LYS A 51 -10.620 -8.606 -0.283 1.00 0.40 H new ATOM 0 HA LYS A 51 -11.002 -11.146 -1.714 1.00 0.47 H new ATOM 0 HB2 LYS A 51 -12.214 -10.048 0.865 1.00 0.52 H new ATOM 0 HB3 LYS A 51 -12.494 -11.655 0.224 1.00 0.52 H new ATOM 0 HG2 LYS A 51 -10.010 -12.092 0.409 1.00 0.57 H new ATOM 0 HG3 LYS A 51 -9.839 -10.536 1.196 1.00 0.57 H new ATOM 0 HD2 LYS A 51 -9.984 -12.354 2.850 1.00 1.08 H new ATOM 0 HD3 LYS A 51 -11.330 -11.243 3.015 1.00 1.08 H new ATOM 0 HE2 LYS A 51 -12.864 -12.758 2.005 1.00 1.81 H new ATOM 0 HE3 LYS A 51 -11.584 -13.734 1.312 1.00 1.81 H new ATOM 0 HZ1 LYS A 51 -12.771 -14.589 3.386 1.00 2.26 H new ATOM 0 HZ2 LYS A 51 -11.076 -14.680 3.357 1.00 2.26 H new ATOM 0 HZ3 LYS A 51 -11.845 -13.455 4.246 1.00 2.26 H new ATOM 820 N GLU A 52 -12.923 -8.626 -2.007 1.00 0.52 N ATOM 821 CA GLU A 52 -14.124 -8.126 -2.669 1.00 0.59 C ATOM 822 C GLU A 52 -13.782 -7.370 -3.958 1.00 0.58 C ATOM 823 O GLU A 52 -12.932 -7.809 -4.735 1.00 0.72 O ATOM 824 CB GLU A 52 -14.940 -7.243 -1.719 1.00 0.66 C ATOM 825 CG GLU A 52 -14.157 -6.112 -1.079 1.00 0.64 C ATOM 826 CD GLU A 52 -15.062 -5.132 -0.363 1.00 0.90 C ATOM 827 OE1 GLU A 52 -15.531 -5.452 0.748 1.00 1.16 O ATOM 828 OE2 GLU A 52 -15.324 -4.046 -0.914 1.00 1.15 O ATOM 0 H GLU A 52 -12.270 -7.902 -1.707 1.00 0.52 H new ATOM 0 HA GLU A 52 -14.732 -8.987 -2.945 1.00 0.59 H new ATOM 0 HB2 GLU A 52 -15.780 -6.820 -2.269 1.00 0.66 H new ATOM 0 HB3 GLU A 52 -15.358 -7.869 -0.931 1.00 0.66 H new ATOM 0 HG2 GLU A 52 -13.437 -6.524 -0.372 1.00 0.64 H new ATOM 0 HG3 GLU A 52 -13.587 -5.586 -1.845 1.00 0.64 H new ATOM 835 N ARG A 53 -14.447 -6.240 -4.178 1.00 0.65 N ATOM 836 CA ARG A 53 -14.311 -5.487 -5.421 1.00 0.68 C ATOM 837 C ARG A 53 -13.126 -4.525 -5.379 1.00 0.59 C ATOM 838 O ARG A 53 -13.060 -3.649 -4.514 1.00 0.65 O ATOM 839 CB ARG A 53 -15.582 -4.683 -5.688 1.00 0.87 C ATOM 840 CG ARG A 53 -16.834 -5.526 -5.836 1.00 1.34 C ATOM 841 CD ARG A 53 -18.033 -4.654 -6.163 1.00 1.78 C ATOM 842 NE ARG A 53 -19.264 -5.426 -6.288 1.00 2.46 N ATOM 843 CZ ARG A 53 -20.362 -4.967 -6.884 1.00 3.32 C ATOM 844 NH1 ARG A 53 -20.363 -3.758 -7.432 1.00 3.80 N ATOM 845 NH2 ARG A 53 -21.455 -5.713 -6.939 1.00 4.10 N ATOM 0 H ARG A 53 -15.091 -5.823 -3.506 1.00 0.65 H new ATOM 0 HA ARG A 53 -14.142 -6.212 -6.218 1.00 0.68 H new ATOM 0 HB2 ARG A 53 -15.729 -3.976 -4.872 1.00 0.87 H new ATOM 0 HB3 ARG A 53 -15.443 -4.097 -6.597 1.00 0.87 H new ATOM 0 HG2 ARG A 53 -16.690 -6.265 -6.624 1.00 1.34 H new ATOM 0 HG3 ARG A 53 -17.019 -6.076 -4.913 1.00 1.34 H new ATOM 0 HD2 ARG A 53 -18.156 -3.903 -5.383 1.00 1.78 H new ATOM 0 HD3 ARG A 53 -17.847 -4.119 -7.094 1.00 1.78 H new ATOM 0 HE ARG A 53 -19.285 -6.368 -5.898 1.00 2.46 H new ATOM 0 HH11 ARG A 53 -19.523 -3.181 -7.396 1.00 3.80 H new ATOM 0 HH12 ARG A 53 -21.204 -3.406 -7.889 1.00 3.80 H new ATOM 0 HH21 ARG A 53 -21.458 -6.644 -6.523 1.00 4.10 H new ATOM 0 HH22 ARG A 53 -22.294 -5.356 -7.397 1.00 4.10 H new ATOM 859 N PRO A 54 -12.184 -4.661 -6.325 1.00 0.55 N ATOM 860 CA PRO A 54 -11.068 -3.726 -6.470 1.00 0.53 C ATOM 861 C PRO A 54 -11.526 -2.353 -6.970 1.00 0.57 C ATOM 862 O PRO A 54 -10.810 -1.367 -6.827 1.00 0.59 O ATOM 863 CB PRO A 54 -10.150 -4.388 -7.508 1.00 0.61 C ATOM 864 CG PRO A 54 -10.647 -5.788 -7.646 1.00 0.68 C ATOM 865 CD PRO A 54 -12.109 -5.746 -7.311 1.00 0.65 C ATOM 0 HA PRO A 54 -10.577 -3.542 -5.514 1.00 0.53 H new ATOM 0 HB2 PRO A 54 -10.192 -3.861 -8.461 1.00 0.61 H new ATOM 0 HB3 PRO A 54 -9.111 -4.371 -7.180 1.00 0.61 H new ATOM 0 HG2 PRO A 54 -10.490 -6.159 -8.659 1.00 0.68 H new ATOM 0 HG3 PRO A 54 -10.112 -6.459 -6.974 1.00 0.68 H new ATOM 0 HD2 PRO A 54 -12.720 -5.538 -8.189 1.00 0.65 H new ATOM 0 HD3 PRO A 54 -12.457 -6.693 -6.898 1.00 0.65 H new ATOM 873 N GLU A 55 -12.726 -2.286 -7.556 1.00 0.64 N ATOM 874 CA GLU A 55 -13.269 -1.009 -8.021 1.00 0.75 C ATOM 875 C GLU A 55 -13.735 -0.142 -6.854 1.00 0.69 C ATOM 876 O GLU A 55 -13.782 1.086 -6.964 1.00 0.80 O ATOM 877 CB GLU A 55 -14.409 -1.205 -9.023 1.00 0.92 C ATOM 878 CG GLU A 55 -15.459 -2.210 -8.594 1.00 1.39 C ATOM 879 CD GLU A 55 -15.215 -3.579 -9.186 1.00 1.89 C ATOM 880 OE1 GLU A 55 -14.484 -4.377 -8.562 1.00 2.43 O ATOM 881 OE2 GLU A 55 -15.762 -3.869 -10.264 1.00 2.27 O ATOM 0 H GLU A 55 -13.332 -3.091 -7.717 1.00 0.64 H new ATOM 0 HA GLU A 55 -12.457 -0.492 -8.532 1.00 0.75 H new ATOM 0 HB2 GLU A 55 -14.893 -0.244 -9.195 1.00 0.92 H new ATOM 0 HB3 GLU A 55 -13.987 -1.524 -9.976 1.00 0.92 H new ATOM 0 HG2 GLU A 55 -15.467 -2.283 -7.506 1.00 1.39 H new ATOM 0 HG3 GLU A 55 -16.444 -1.855 -8.897 1.00 1.39 H new ATOM 888 N LEU A 56 -14.084 -0.776 -5.742 1.00 0.64 N ATOM 889 CA LEU A 56 -14.390 -0.047 -4.519 1.00 0.68 C ATOM 890 C LEU A 56 -13.088 0.240 -3.790 1.00 0.59 C ATOM 891 O LEU A 56 -12.969 1.188 -3.008 1.00 0.69 O ATOM 892 CB LEU A 56 -15.337 -0.858 -3.629 1.00 0.81 C ATOM 893 CG LEU A 56 -16.662 -1.251 -4.284 1.00 1.09 C ATOM 894 CD1 LEU A 56 -17.556 -1.971 -3.286 1.00 1.86 C ATOM 895 CD2 LEU A 56 -17.363 -0.024 -4.846 1.00 2.05 C ATOM 0 H LEU A 56 -14.162 -1.790 -5.662 1.00 0.64 H new ATOM 0 HA LEU A 56 -14.890 0.890 -4.765 1.00 0.68 H new ATOM 0 HB2 LEU A 56 -14.824 -1.765 -3.310 1.00 0.81 H new ATOM 0 HB3 LEU A 56 -15.551 -0.280 -2.730 1.00 0.81 H new ATOM 0 HG LEU A 56 -16.452 -1.932 -5.109 1.00 1.09 H new ATOM 0 HD11 LEU A 56 -18.495 -2.243 -3.769 1.00 1.86 H new ATOM 0 HD12 LEU A 56 -17.055 -2.872 -2.933 1.00 1.86 H new ATOM 0 HD13 LEU A 56 -17.760 -1.314 -2.440 1.00 1.86 H new ATOM 0 HD21 LEU A 56 -18.304 -0.322 -5.308 1.00 2.05 H new ATOM 0 HD22 LEU A 56 -17.563 0.682 -4.040 1.00 2.05 H new ATOM 0 HD23 LEU A 56 -16.726 0.449 -5.593 1.00 2.05 H new ATOM 907 N PHE A 57 -12.109 -0.588 -4.097 1.00 0.47 N ATOM 908 CA PHE A 57 -10.760 -0.450 -3.591 1.00 0.41 C ATOM 909 C PHE A 57 -9.994 0.528 -4.492 1.00 0.37 C ATOM 910 O PHE A 57 -10.590 1.203 -5.328 1.00 0.37 O ATOM 911 CB PHE A 57 -10.115 -1.848 -3.568 1.00 0.38 C ATOM 912 CG PHE A 57 -8.763 -1.942 -2.916 1.00 0.35 C ATOM 913 CD1 PHE A 57 -8.562 -1.490 -1.625 1.00 0.35 C ATOM 914 CD2 PHE A 57 -7.694 -2.502 -3.599 1.00 0.37 C ATOM 915 CE1 PHE A 57 -7.319 -1.589 -1.025 1.00 0.36 C ATOM 916 CE2 PHE A 57 -6.451 -2.606 -3.004 1.00 0.38 C ATOM 917 CZ PHE A 57 -6.264 -2.147 -1.716 1.00 0.35 C ATOM 0 H PHE A 57 -12.232 -1.389 -4.716 1.00 0.47 H new ATOM 0 HA PHE A 57 -10.745 -0.048 -2.578 1.00 0.41 H new ATOM 0 HB2 PHE A 57 -10.792 -2.530 -3.054 1.00 0.38 H new ATOM 0 HB3 PHE A 57 -10.026 -2.202 -4.595 1.00 0.38 H new ATOM 0 HD1 PHE A 57 -9.385 -1.054 -1.078 1.00 0.35 H new ATOM 0 HD2 PHE A 57 -7.834 -2.861 -4.608 1.00 0.37 H new ATOM 0 HE1 PHE A 57 -7.175 -1.230 -0.017 1.00 0.36 H new ATOM 0 HE2 PHE A 57 -5.627 -3.046 -3.546 1.00 0.38 H new ATOM 0 HZ PHE A 57 -5.293 -2.225 -1.250 1.00 0.35 H new ATOM 927 N ILE A 58 -8.686 0.583 -4.347 1.00 0.36 N ATOM 928 CA ILE A 58 -7.853 1.538 -5.059 1.00 0.36 C ATOM 929 C ILE A 58 -7.663 1.161 -6.525 1.00 0.30 C ATOM 930 O ILE A 58 -7.915 0.027 -6.934 1.00 0.30 O ATOM 931 CB ILE A 58 -6.460 1.608 -4.410 1.00 0.45 C ATOM 932 CG1 ILE A 58 -5.746 0.270 -4.578 1.00 0.51 C ATOM 933 CG2 ILE A 58 -6.573 1.965 -2.943 1.00 0.97 C ATOM 934 CD1 ILE A 58 -4.422 0.177 -3.854 1.00 0.90 C ATOM 0 H ILE A 58 -8.164 -0.037 -3.728 1.00 0.36 H new ATOM 0 HA ILE A 58 -8.364 2.499 -5.004 1.00 0.36 H new ATOM 0 HB ILE A 58 -5.879 2.386 -4.905 1.00 0.45 H new ATOM 0 HG12 ILE A 58 -6.400 -0.525 -4.219 1.00 0.51 H new ATOM 0 HG13 ILE A 58 -5.579 0.091 -5.640 1.00 0.51 H new ATOM 0 HG21 ILE A 58 -5.577 2.010 -2.502 1.00 0.97 H new ATOM 0 HG22 ILE A 58 -7.059 2.935 -2.841 1.00 0.97 H new ATOM 0 HG23 ILE A 58 -7.164 1.207 -2.429 1.00 0.97 H new ATOM 0 HD11 ILE A 58 -3.982 -0.805 -4.026 1.00 0.90 H new ATOM 0 HD12 ILE A 58 -3.748 0.947 -4.228 1.00 0.90 H new ATOM 0 HD13 ILE A 58 -4.581 0.322 -2.785 1.00 0.90 H new ATOM 946 N GLN A 59 -7.231 2.148 -7.302 1.00 0.31 N ATOM 947 CA GLN A 59 -6.978 1.978 -8.726 1.00 0.30 C ATOM 948 C GLN A 59 -5.868 0.964 -8.937 1.00 0.27 C ATOM 949 O GLN A 59 -4.946 0.890 -8.129 1.00 0.29 O ATOM 950 CB GLN A 59 -6.559 3.316 -9.345 1.00 0.39 C ATOM 951 CG GLN A 59 -5.260 3.869 -8.763 1.00 0.56 C ATOM 952 CD GLN A 59 -4.778 5.129 -9.455 1.00 0.60 C ATOM 953 OE1 GLN A 59 -3.464 5.327 -9.485 1.00 1.35 O flip ATOM 954 NE2 GLN A 59 -5.573 5.922 -9.957 1.00 0.58 N flip ATOM 0 H GLN A 59 -7.046 3.091 -6.960 1.00 0.31 H new ATOM 0 HA GLN A 59 -7.891 1.624 -9.204 1.00 0.30 H new ATOM 0 HB2 GLN A 59 -6.442 3.190 -10.421 1.00 0.39 H new ATOM 0 HB3 GLN A 59 -7.356 4.044 -9.194 1.00 0.39 H new ATOM 0 HG2 GLN A 59 -5.406 4.079 -7.703 1.00 0.56 H new ATOM 0 HG3 GLN A 59 -4.485 3.106 -8.833 1.00 0.56 H new ATOM 0 HE21 GLN A 59 -6.575 5.736 -9.914 1.00 0.58 H new ATOM 0 HE22 GLN A 59 -5.230 6.766 -10.416 1.00 0.58 H new ATOM 963 N GLY A 60 -5.959 0.194 -10.014 1.00 0.32 N ATOM 964 CA GLY A 60 -4.950 -0.813 -10.311 1.00 0.38 C ATOM 965 C GLY A 60 -3.645 -0.202 -10.795 1.00 0.37 C ATOM 966 O GLY A 60 -3.060 -0.657 -11.780 1.00 0.55 O ATOM 0 H GLY A 60 -6.718 0.247 -10.693 1.00 0.32 H new ATOM 0 HA2 GLY A 60 -4.760 -1.407 -9.417 1.00 0.38 H new ATOM 0 HA3 GLY A 60 -5.333 -1.494 -11.071 1.00 0.38 H new ATOM 970 N ASP A 61 -3.199 0.826 -10.090 1.00 0.40 N ATOM 971 CA ASP A 61 -1.993 1.564 -10.437 1.00 0.46 C ATOM 972 C ASP A 61 -1.264 1.988 -9.172 1.00 0.44 C ATOM 973 O ASP A 61 -0.050 1.849 -9.067 1.00 0.54 O ATOM 974 CB ASP A 61 -2.324 2.820 -11.254 1.00 0.55 C ATOM 975 CG ASP A 61 -2.866 2.522 -12.636 1.00 0.81 C ATOM 976 OD1 ASP A 61 -4.097 2.378 -12.779 1.00 0.96 O ATOM 977 OD2 ASP A 61 -2.064 2.448 -13.588 1.00 1.06 O ATOM 0 H ASP A 61 -3.667 1.175 -9.254 1.00 0.40 H new ATOM 0 HA ASP A 61 -1.364 0.906 -11.036 1.00 0.46 H new ATOM 0 HB2 ASP A 61 -3.055 3.416 -10.707 1.00 0.55 H new ATOM 0 HB3 ASP A 61 -1.424 3.428 -11.350 1.00 0.55 H new ATOM 982 N SER A 62 -2.027 2.495 -8.208 1.00 0.40 N ATOM 983 CA SER A 62 -1.459 3.047 -6.987 1.00 0.46 C ATOM 984 C SER A 62 -2.479 2.992 -5.848 1.00 0.47 C ATOM 985 O SER A 62 -2.447 2.093 -5.019 1.00 0.70 O ATOM 986 CB SER A 62 -1.010 4.491 -7.236 1.00 0.53 C ATOM 987 OG SER A 62 -0.430 5.071 -6.086 1.00 0.80 O ATOM 0 H SER A 62 -3.045 2.534 -8.252 1.00 0.40 H new ATOM 0 HA SER A 62 -0.594 2.451 -6.696 1.00 0.46 H new ATOM 0 HB2 SER A 62 -0.290 4.511 -8.054 1.00 0.53 H new ATOM 0 HB3 SER A 62 -1.866 5.088 -7.550 1.00 0.53 H new ATOM 0 HG SER A 62 -0.692 6.014 -6.028 1.00 0.80 H new ATOM 993 N VAL A 63 -3.375 3.974 -5.820 1.00 0.38 N ATOM 994 CA VAL A 63 -4.457 4.053 -4.836 1.00 0.37 C ATOM 995 C VAL A 63 -5.406 5.176 -5.221 1.00 0.40 C ATOM 996 O VAL A 63 -4.982 6.269 -5.596 1.00 0.52 O ATOM 997 CB VAL A 63 -3.949 4.200 -3.370 1.00 0.53 C ATOM 998 CG1 VAL A 63 -2.540 4.752 -3.302 1.00 0.83 C ATOM 999 CG2 VAL A 63 -4.863 5.062 -2.528 1.00 0.78 C ATOM 0 H VAL A 63 -3.373 4.747 -6.486 1.00 0.38 H new ATOM 0 HA VAL A 63 -4.993 3.104 -4.855 1.00 0.37 H new ATOM 0 HB VAL A 63 -3.949 3.189 -2.962 1.00 0.53 H new ATOM 0 HG11 VAL A 63 -2.232 4.836 -2.260 1.00 0.83 H new ATOM 0 HG12 VAL A 63 -1.861 4.082 -3.829 1.00 0.83 H new ATOM 0 HG13 VAL A 63 -2.512 5.737 -3.769 1.00 0.83 H new ATOM 0 HG21 VAL A 63 -4.465 5.133 -1.516 1.00 0.78 H new ATOM 0 HG22 VAL A 63 -4.926 6.059 -2.964 1.00 0.78 H new ATOM 0 HG23 VAL A 63 -5.857 4.616 -2.497 1.00 0.78 H new ATOM 1009 N ARG A 64 -6.694 4.862 -5.172 1.00 0.36 N ATOM 1010 CA ARG A 64 -7.744 5.778 -5.612 1.00 0.40 C ATOM 1011 C ARG A 64 -7.891 6.920 -4.617 1.00 0.40 C ATOM 1012 O ARG A 64 -7.462 6.793 -3.487 1.00 0.40 O ATOM 1013 CB ARG A 64 -9.079 5.027 -5.721 1.00 0.41 C ATOM 1014 CG ARG A 64 -9.589 4.508 -4.382 1.00 0.36 C ATOM 1015 CD ARG A 64 -10.986 3.917 -4.483 1.00 0.45 C ATOM 1016 NE ARG A 64 -11.968 4.890 -4.963 1.00 1.05 N ATOM 1017 CZ ARG A 64 -13.285 4.783 -4.779 1.00 1.39 C ATOM 1018 NH1 ARG A 64 -13.794 3.727 -4.159 1.00 1.63 N ATOM 1019 NH2 ARG A 64 -14.096 5.727 -5.240 1.00 2.05 N ATOM 0 H ARG A 64 -7.042 3.967 -4.827 1.00 0.36 H new ATOM 0 HA ARG A 64 -7.471 6.181 -6.587 1.00 0.40 H new ATOM 0 HB2 ARG A 64 -9.827 5.691 -6.154 1.00 0.41 H new ATOM 0 HB3 ARG A 64 -8.961 4.188 -6.407 1.00 0.41 H new ATOM 0 HG2 ARG A 64 -8.903 3.750 -4.004 1.00 0.36 H new ATOM 0 HG3 ARG A 64 -9.594 5.323 -3.658 1.00 0.36 H new ATOM 0 HD2 ARG A 64 -10.968 3.060 -5.157 1.00 0.45 H new ATOM 0 HD3 ARG A 64 -11.293 3.547 -3.505 1.00 0.45 H new ATOM 0 HE ARG A 64 -11.623 5.704 -5.472 1.00 1.05 H new ATOM 0 HH11 ARG A 64 -13.177 2.989 -3.819 1.00 1.63 H new ATOM 0 HH12 ARG A 64 -14.802 3.653 -4.022 1.00 1.63 H new ATOM 0 HH21 ARG A 64 -13.712 6.533 -5.734 1.00 2.05 H new ATOM 0 HH22 ARG A 64 -15.103 5.647 -5.100 1.00 2.05 H new ATOM 1033 N PRO A 65 -8.518 8.037 -5.012 1.00 0.49 N ATOM 1034 CA PRO A 65 -8.811 9.139 -4.089 1.00 0.53 C ATOM 1035 C PRO A 65 -9.697 8.679 -2.938 1.00 0.44 C ATOM 1036 O PRO A 65 -9.731 9.297 -1.873 1.00 0.51 O ATOM 1037 CB PRO A 65 -9.563 10.155 -4.947 1.00 0.65 C ATOM 1038 CG PRO A 65 -9.250 9.797 -6.354 1.00 0.72 C ATOM 1039 CD PRO A 65 -8.974 8.323 -6.377 1.00 0.61 C ATOM 0 HA PRO A 65 -7.904 9.542 -3.637 1.00 0.53 H new ATOM 0 HB2 PRO A 65 -10.636 10.109 -4.760 1.00 0.65 H new ATOM 0 HB3 PRO A 65 -9.244 11.172 -4.721 1.00 0.65 H new ATOM 0 HG2 PRO A 65 -10.085 10.044 -7.010 1.00 0.72 H new ATOM 0 HG3 PRO A 65 -8.386 10.357 -6.712 1.00 0.72 H new ATOM 0 HD2 PRO A 65 -9.867 7.752 -6.629 1.00 0.61 H new ATOM 0 HD3 PRO A 65 -8.214 8.069 -7.115 1.00 0.61 H new ATOM 1047 N GLY A 66 -10.429 7.595 -3.186 1.00 0.35 N ATOM 1048 CA GLY A 66 -11.270 6.998 -2.172 1.00 0.32 C ATOM 1049 C GLY A 66 -10.468 6.459 -1.005 1.00 0.25 C ATOM 1050 O GLY A 66 -10.864 6.610 0.150 1.00 0.27 O ATOM 0 H GLY A 66 -10.451 7.117 -4.087 1.00 0.35 H new ATOM 0 HA2 GLY A 66 -11.981 7.740 -1.809 1.00 0.32 H new ATOM 0 HA3 GLY A 66 -11.851 6.189 -2.615 1.00 0.32 H new ATOM 1054 N ILE A 67 -9.358 5.790 -1.289 1.00 0.28 N ATOM 1055 CA ILE A 67 -8.457 5.376 -0.236 1.00 0.23 C ATOM 1056 C ILE A 67 -7.292 6.348 -0.103 1.00 0.24 C ATOM 1057 O ILE A 67 -6.670 6.729 -1.076 1.00 0.32 O ATOM 1058 CB ILE A 67 -7.954 3.943 -0.491 1.00 0.25 C ATOM 1059 CG1 ILE A 67 -9.180 3.076 -0.820 1.00 0.32 C ATOM 1060 CG2 ILE A 67 -7.203 3.416 0.724 1.00 0.21 C ATOM 1061 CD1 ILE A 67 -9.004 1.600 -0.583 1.00 0.34 C ATOM 0 H ILE A 67 -9.067 5.528 -2.231 1.00 0.28 H new ATOM 0 HA ILE A 67 -9.005 5.383 0.706 1.00 0.23 H new ATOM 0 HB ILE A 67 -7.252 3.920 -1.325 1.00 0.25 H new ATOM 0 HG12 ILE A 67 -10.023 3.425 -0.223 1.00 0.32 H new ATOM 0 HG13 ILE A 67 -9.444 3.231 -1.866 1.00 0.32 H new ATOM 0 HG21 ILE A 67 -6.855 2.402 0.525 1.00 0.21 H new ATOM 0 HG22 ILE A 67 -6.348 4.059 0.930 1.00 0.21 H new ATOM 0 HG23 ILE A 67 -7.868 3.409 1.588 1.00 0.21 H new ATOM 0 HD11 ILE A 67 -9.924 1.077 -0.845 1.00 0.34 H new ATOM 0 HD12 ILE A 67 -8.186 1.227 -1.200 1.00 0.34 H new ATOM 0 HD13 ILE A 67 -8.774 1.425 0.468 1.00 0.34 H new ATOM 1073 N LEU A 68 -7.025 6.777 1.106 1.00 0.23 N ATOM 1074 CA LEU A 68 -5.910 7.669 1.356 1.00 0.29 C ATOM 1075 C LEU A 68 -4.713 6.853 1.792 1.00 0.28 C ATOM 1076 O LEU A 68 -4.794 6.099 2.757 1.00 0.41 O ATOM 1077 CB LEU A 68 -6.257 8.694 2.432 1.00 0.37 C ATOM 1078 CG LEU A 68 -7.537 9.494 2.184 1.00 0.40 C ATOM 1079 CD1 LEU A 68 -7.788 10.457 3.333 1.00 0.50 C ATOM 1080 CD2 LEU A 68 -7.449 10.246 0.865 1.00 0.44 C ATOM 0 H LEU A 68 -7.562 6.525 1.936 1.00 0.23 H new ATOM 0 HA LEU A 68 -5.680 8.209 0.438 1.00 0.29 H new ATOM 0 HB2 LEU A 68 -6.351 8.177 3.387 1.00 0.37 H new ATOM 0 HB3 LEU A 68 -5.425 9.392 2.528 1.00 0.37 H new ATOM 0 HG LEU A 68 -8.375 8.799 2.126 1.00 0.40 H new ATOM 0 HD11 LEU A 68 -8.702 11.020 3.143 1.00 0.50 H new ATOM 0 HD12 LEU A 68 -7.894 9.896 4.262 1.00 0.50 H new ATOM 0 HD13 LEU A 68 -6.949 11.147 3.419 1.00 0.50 H new ATOM 0 HD21 LEU A 68 -8.368 10.809 0.705 1.00 0.44 H new ATOM 0 HD22 LEU A 68 -6.603 10.933 0.893 1.00 0.44 H new ATOM 0 HD23 LEU A 68 -7.313 9.536 0.050 1.00 0.44 H new ATOM 1092 N VAL A 69 -3.616 6.973 1.076 1.00 0.25 N ATOM 1093 CA VAL A 69 -2.433 6.198 1.401 1.00 0.27 C ATOM 1094 C VAL A 69 -1.295 7.067 1.889 1.00 0.19 C ATOM 1095 O VAL A 69 -0.798 7.942 1.181 1.00 0.21 O ATOM 1096 CB VAL A 69 -1.963 5.330 0.219 1.00 0.44 C ATOM 1097 CG1 VAL A 69 -0.526 4.860 0.414 1.00 1.05 C ATOM 1098 CG2 VAL A 69 -2.880 4.135 0.080 1.00 0.81 C ATOM 0 H VAL A 69 -3.516 7.593 0.272 1.00 0.25 H new ATOM 0 HA VAL A 69 -2.728 5.535 2.215 1.00 0.27 H new ATOM 0 HB VAL A 69 -1.998 5.933 -0.688 1.00 0.44 H new ATOM 0 HG11 VAL A 69 -0.224 4.250 -0.437 1.00 1.05 H new ATOM 0 HG12 VAL A 69 0.132 5.725 0.492 1.00 1.05 H new ATOM 0 HG13 VAL A 69 -0.457 4.269 1.327 1.00 1.05 H new ATOM 0 HG21 VAL A 69 -2.550 3.518 -0.756 1.00 0.81 H new ATOM 0 HG22 VAL A 69 -2.853 3.547 0.997 1.00 0.81 H new ATOM 0 HG23 VAL A 69 -3.899 4.477 -0.102 1.00 0.81 H new ATOM 1108 N LEU A 70 -0.915 6.839 3.123 1.00 0.18 N ATOM 1109 CA LEU A 70 0.276 7.406 3.668 1.00 0.16 C ATOM 1110 C LEU A 70 1.493 6.675 3.164 1.00 0.15 C ATOM 1111 O LEU A 70 1.601 5.461 3.300 1.00 0.19 O ATOM 1112 CB LEU A 70 0.223 7.325 5.184 1.00 0.22 C ATOM 1113 CG LEU A 70 -0.344 8.555 5.861 1.00 0.36 C ATOM 1114 CD1 LEU A 70 -1.611 9.022 5.176 1.00 0.95 C ATOM 1115 CD2 LEU A 70 -0.580 8.298 7.339 1.00 0.90 C ATOM 0 H LEU A 70 -1.433 6.250 3.775 1.00 0.18 H new ATOM 0 HA LEU A 70 0.344 8.448 3.355 1.00 0.16 H new ATOM 0 HB2 LEU A 70 -0.377 6.461 5.468 1.00 0.22 H new ATOM 0 HB3 LEU A 70 1.231 7.151 5.561 1.00 0.22 H new ATOM 0 HG LEU A 70 0.391 9.355 5.773 1.00 0.36 H new ATOM 0 HD11 LEU A 70 -1.995 9.907 5.684 1.00 0.95 H new ATOM 0 HD12 LEU A 70 -1.394 9.267 4.136 1.00 0.95 H new ATOM 0 HD13 LEU A 70 -2.358 8.229 5.213 1.00 0.95 H new ATOM 0 HD21 LEU A 70 -0.987 9.196 7.804 1.00 0.90 H new ATOM 0 HD22 LEU A 70 -1.286 7.476 7.457 1.00 0.90 H new ATOM 0 HD23 LEU A 70 0.364 8.038 7.818 1.00 0.90 H new ATOM 1127 N ILE A 71 2.378 7.410 2.541 1.00 0.14 N ATOM 1128 CA ILE A 71 3.705 6.908 2.291 1.00 0.17 C ATOM 1129 C ILE A 71 4.595 7.395 3.406 1.00 0.20 C ATOM 1130 O ILE A 71 4.903 8.587 3.481 1.00 0.24 O ATOM 1131 CB ILE A 71 4.302 7.361 0.955 1.00 0.20 C ATOM 1132 CG1 ILE A 71 3.371 6.995 -0.209 1.00 0.18 C ATOM 1133 CG2 ILE A 71 5.679 6.720 0.787 1.00 0.28 C ATOM 1134 CD1 ILE A 71 3.319 5.516 -0.529 1.00 0.20 C ATOM 0 H ILE A 71 2.205 8.355 2.198 1.00 0.14 H new ATOM 0 HA ILE A 71 3.639 5.821 2.245 1.00 0.17 H new ATOM 0 HB ILE A 71 4.410 8.446 0.951 1.00 0.20 H new ATOM 0 HG12 ILE A 71 2.364 7.339 0.026 1.00 0.18 H new ATOM 0 HG13 ILE A 71 3.693 7.536 -1.099 1.00 0.18 H new ATOM 0 HG21 ILE A 71 6.114 7.036 -0.161 1.00 0.28 H new ATOM 0 HG22 ILE A 71 6.328 7.032 1.605 1.00 0.28 H new ATOM 0 HG23 ILE A 71 5.579 5.635 0.797 1.00 0.28 H new ATOM 0 HD11 ILE A 71 2.638 5.348 -1.363 1.00 0.20 H new ATOM 0 HD12 ILE A 71 4.316 5.167 -0.798 1.00 0.20 H new ATOM 0 HD13 ILE A 71 2.966 4.967 0.344 1.00 0.20 H new ATOM 1146 N ASN A 72 4.912 6.484 4.309 1.00 0.22 N ATOM 1147 CA ASN A 72 5.772 6.752 5.459 1.00 0.28 C ATOM 1148 C ASN A 72 4.949 7.390 6.558 1.00 0.27 C ATOM 1149 O ASN A 72 4.909 6.882 7.677 1.00 0.31 O ATOM 1150 CB ASN A 72 6.971 7.640 5.091 1.00 0.41 C ATOM 1151 CG ASN A 72 8.195 7.330 5.916 1.00 1.04 C ATOM 1152 OD1 ASN A 72 8.375 7.843 7.021 1.00 1.94 O ATOM 1153 ND2 ASN A 72 9.057 6.505 5.362 1.00 1.33 N ATOM 0 H ASN A 72 4.577 5.522 4.268 1.00 0.22 H new ATOM 0 HA ASN A 72 6.181 5.804 5.809 1.00 0.28 H new ATOM 0 HB2 ASN A 72 7.206 7.508 4.035 1.00 0.41 H new ATOM 0 HB3 ASN A 72 6.700 8.687 5.229 1.00 0.41 H new ATOM 0 HD21 ASN A 72 9.920 6.265 5.851 1.00 1.33 H new ATOM 0 HD22 ASN A 72 8.863 6.105 4.444 1.00 1.33 H new ATOM 1160 N ASP A 73 4.288 8.491 6.204 1.00 0.26 N ATOM 1161 CA ASP A 73 3.313 9.161 7.064 1.00 0.29 C ATOM 1162 C ASP A 73 2.807 10.437 6.380 1.00 0.28 C ATOM 1163 O ASP A 73 2.702 11.493 7.005 1.00 0.36 O ATOM 1164 CB ASP A 73 3.922 9.503 8.431 1.00 0.36 C ATOM 1165 CG ASP A 73 2.866 9.871 9.455 1.00 0.62 C ATOM 1166 OD1 ASP A 73 2.021 9.012 9.785 1.00 1.03 O ATOM 1167 OD2 ASP A 73 2.866 11.026 9.930 1.00 0.65 O ATOM 0 H ASP A 73 4.416 8.948 5.301 1.00 0.26 H new ATOM 0 HA ASP A 73 2.477 8.481 7.228 1.00 0.29 H new ATOM 0 HB2 ASP A 73 4.496 8.650 8.794 1.00 0.36 H new ATOM 0 HB3 ASP A 73 4.620 10.332 8.318 1.00 0.36 H new ATOM 1172 N ALA A 74 2.479 10.336 5.091 1.00 0.27 N ATOM 1173 CA ALA A 74 2.051 11.506 4.321 1.00 0.29 C ATOM 1174 C ALA A 74 1.337 11.104 3.034 1.00 0.25 C ATOM 1175 O ALA A 74 1.417 9.953 2.608 1.00 0.20 O ATOM 1176 CB ALA A 74 3.242 12.394 3.996 1.00 0.33 C ATOM 0 H ALA A 74 2.501 9.464 4.562 1.00 0.27 H new ATOM 0 HA ALA A 74 1.345 12.062 4.938 1.00 0.29 H new ATOM 0 HB1 ALA A 74 2.906 13.259 3.424 1.00 0.33 H new ATOM 0 HB2 ALA A 74 3.708 12.731 4.922 1.00 0.33 H new ATOM 0 HB3 ALA A 74 3.967 11.830 3.409 1.00 0.33 H new ATOM 1182 N ASP A 75 0.653 12.072 2.423 1.00 0.30 N ATOM 1183 CA ASP A 75 -0.121 11.850 1.198 1.00 0.29 C ATOM 1184 C ASP A 75 0.731 11.279 0.069 1.00 0.23 C ATOM 1185 O ASP A 75 1.600 11.952 -0.481 1.00 0.24 O ATOM 1186 CB ASP A 75 -0.781 13.152 0.728 1.00 0.36 C ATOM 1187 CG ASP A 75 -1.967 13.554 1.582 1.00 0.47 C ATOM 1188 OD1 ASP A 75 -1.757 13.973 2.741 1.00 0.62 O ATOM 1189 OD2 ASP A 75 -3.118 13.436 1.108 1.00 0.61 O ATOM 0 H ASP A 75 0.619 13.033 2.763 1.00 0.30 H new ATOM 0 HA ASP A 75 -0.889 11.117 1.445 1.00 0.29 H new ATOM 0 HB2 ASP A 75 -0.042 13.953 0.741 1.00 0.36 H new ATOM 0 HB3 ASP A 75 -1.107 13.036 -0.306 1.00 0.36 H new ATOM 1194 N TRP A 76 0.443 10.031 -0.268 1.00 0.21 N ATOM 1195 CA TRP A 76 1.115 9.297 -1.336 1.00 0.17 C ATOM 1196 C TRP A 76 1.254 10.094 -2.633 1.00 0.16 C ATOM 1197 O TRP A 76 2.350 10.203 -3.184 1.00 0.14 O ATOM 1198 CB TRP A 76 0.342 7.998 -1.621 1.00 0.20 C ATOM 1199 CG TRP A 76 -1.029 8.181 -2.254 1.00 0.22 C ATOM 1200 CD1 TRP A 76 -1.419 7.674 -3.458 1.00 0.28 C ATOM 1201 CD2 TRP A 76 -2.170 8.928 -1.760 1.00 0.25 C ATOM 1202 NE1 TRP A 76 -2.718 8.020 -3.729 1.00 0.33 N ATOM 1203 CE2 TRP A 76 -3.200 8.791 -2.713 1.00 0.30 C ATOM 1204 CE3 TRP A 76 -2.431 9.687 -0.613 1.00 0.27 C ATOM 1205 CZ2 TRP A 76 -4.452 9.379 -2.554 1.00 0.34 C ATOM 1206 CZ3 TRP A 76 -3.672 10.272 -0.460 1.00 0.32 C ATOM 1207 CH2 TRP A 76 -4.670 10.113 -1.424 1.00 0.34 C ATOM 0 H TRP A 76 -0.280 9.486 0.202 1.00 0.21 H new ATOM 0 HA TRP A 76 2.126 9.089 -0.986 1.00 0.17 H new ATOM 0 HB2 TRP A 76 0.946 7.372 -2.278 1.00 0.20 H new ATOM 0 HB3 TRP A 76 0.221 7.454 -0.684 1.00 0.20 H new ATOM 0 HD1 TRP A 76 -0.792 7.082 -4.108 1.00 0.28 H new ATOM 0 HE1 TRP A 76 -3.241 7.744 -4.560 1.00 0.33 H new ATOM 0 HE3 TRP A 76 -1.670 9.813 0.143 1.00 0.27 H new ATOM 0 HZ2 TRP A 76 -5.224 9.258 -3.299 1.00 0.34 H new ATOM 0 HZ3 TRP A 76 -3.875 10.863 0.421 1.00 0.32 H new ATOM 0 HH2 TRP A 76 -5.632 10.580 -1.273 1.00 0.34 H new ATOM 1218 N GLU A 77 0.151 10.656 -3.105 1.00 0.19 N ATOM 1219 CA GLU A 77 0.101 11.260 -4.428 1.00 0.21 C ATOM 1220 C GLU A 77 1.025 12.468 -4.529 1.00 0.21 C ATOM 1221 O GLU A 77 1.516 12.800 -5.607 1.00 0.27 O ATOM 1222 CB GLU A 77 -1.334 11.662 -4.771 1.00 0.28 C ATOM 1223 CG GLU A 77 -2.010 12.521 -3.714 1.00 0.49 C ATOM 1224 CD GLU A 77 -3.294 13.141 -4.227 1.00 0.52 C ATOM 1225 OE1 GLU A 77 -4.308 12.422 -4.347 1.00 0.74 O ATOM 1226 OE2 GLU A 77 -3.288 14.351 -4.538 1.00 0.82 O ATOM 0 H GLU A 77 -0.727 10.706 -2.588 1.00 0.19 H new ATOM 0 HA GLU A 77 0.447 10.517 -5.146 1.00 0.21 H new ATOM 0 HB2 GLU A 77 -1.331 12.204 -5.717 1.00 0.28 H new ATOM 0 HB3 GLU A 77 -1.926 10.759 -4.923 1.00 0.28 H new ATOM 0 HG2 GLU A 77 -2.226 11.913 -2.836 1.00 0.49 H new ATOM 0 HG3 GLU A 77 -1.328 13.309 -3.396 1.00 0.49 H new ATOM 1233 N LEU A 78 1.270 13.111 -3.399 1.00 0.24 N ATOM 1234 CA LEU A 78 2.109 14.297 -3.364 1.00 0.29 C ATOM 1235 C LEU A 78 3.564 13.917 -3.127 1.00 0.25 C ATOM 1236 O LEU A 78 4.452 14.768 -3.143 1.00 0.35 O ATOM 1237 CB LEU A 78 1.622 15.244 -2.267 1.00 0.47 C ATOM 1238 CG LEU A 78 0.168 15.698 -2.412 1.00 0.55 C ATOM 1239 CD1 LEU A 78 -0.252 16.543 -1.219 1.00 1.12 C ATOM 1240 CD2 LEU A 78 -0.017 16.472 -3.709 1.00 1.00 C ATOM 0 H LEU A 78 0.898 12.830 -2.492 1.00 0.24 H new ATOM 0 HA LEU A 78 2.041 14.803 -4.327 1.00 0.29 H new ATOM 0 HB2 LEU A 78 1.740 14.751 -1.302 1.00 0.47 H new ATOM 0 HB3 LEU A 78 2.264 16.125 -2.255 1.00 0.47 H new ATOM 0 HG LEU A 78 -0.469 14.814 -2.443 1.00 0.55 H new ATOM 0 HD11 LEU A 78 -1.289 16.856 -1.342 1.00 1.12 H new ATOM 0 HD12 LEU A 78 -0.156 15.956 -0.306 1.00 1.12 H new ATOM 0 HD13 LEU A 78 0.387 17.424 -1.154 1.00 1.12 H new ATOM 0 HD21 LEU A 78 -1.056 16.789 -3.799 1.00 1.00 H new ATOM 0 HD22 LEU A 78 0.630 17.349 -3.705 1.00 1.00 H new ATOM 0 HD23 LEU A 78 0.242 15.834 -4.554 1.00 1.00 H new ATOM 1252 N LEU A 79 3.799 12.632 -2.910 1.00 0.20 N ATOM 1253 CA LEU A 79 5.136 12.140 -2.611 1.00 0.20 C ATOM 1254 C LEU A 79 5.698 11.290 -3.752 1.00 0.20 C ATOM 1255 O LEU A 79 6.912 11.249 -3.965 1.00 0.22 O ATOM 1256 CB LEU A 79 5.110 11.324 -1.315 1.00 0.22 C ATOM 1257 CG LEU A 79 5.400 12.106 -0.026 1.00 0.38 C ATOM 1258 CD1 LEU A 79 4.361 13.187 0.215 1.00 0.79 C ATOM 1259 CD2 LEU A 79 5.461 11.160 1.162 1.00 0.75 C ATOM 0 H LEU A 79 3.080 11.909 -2.935 1.00 0.20 H new ATOM 0 HA LEU A 79 5.790 13.004 -2.490 1.00 0.20 H new ATOM 0 HB2 LEU A 79 4.129 10.857 -1.221 1.00 0.22 H new ATOM 0 HB3 LEU A 79 5.839 10.518 -1.401 1.00 0.22 H new ATOM 0 HG LEU A 79 6.368 12.594 -0.143 1.00 0.38 H new ATOM 0 HD11 LEU A 79 4.598 13.720 1.136 1.00 0.79 H new ATOM 0 HD12 LEU A 79 4.364 13.887 -0.621 1.00 0.79 H new ATOM 0 HD13 LEU A 79 3.375 12.731 0.303 1.00 0.79 H new ATOM 0 HD21 LEU A 79 5.667 11.728 2.069 1.00 0.75 H new ATOM 0 HD22 LEU A 79 4.506 10.644 1.266 1.00 0.75 H new ATOM 0 HD23 LEU A 79 6.253 10.428 1.004 1.00 0.75 H new ATOM 1271 N GLY A 80 4.823 10.621 -4.494 1.00 0.20 N ATOM 1272 CA GLY A 80 5.277 9.781 -5.591 1.00 0.22 C ATOM 1273 C GLY A 80 4.441 8.526 -5.741 1.00 0.19 C ATOM 1274 O GLY A 80 4.400 7.931 -6.821 1.00 0.22 O ATOM 0 H GLY A 80 3.812 10.643 -4.358 1.00 0.20 H new ATOM 0 HA2 GLY A 80 5.242 10.351 -6.520 1.00 0.22 H new ATOM 0 HA3 GLY A 80 6.318 9.503 -5.426 1.00 0.22 H new ATOM 1278 N GLU A 81 3.773 8.143 -4.648 1.00 0.17 N ATOM 1279 CA GLU A 81 2.839 7.011 -4.605 1.00 0.20 C ATOM 1280 C GLU A 81 3.359 5.755 -5.331 1.00 0.16 C ATOM 1281 O GLU A 81 4.422 5.247 -4.986 1.00 0.17 O ATOM 1282 CB GLU A 81 1.439 7.432 -5.096 1.00 0.33 C ATOM 1283 CG GLU A 81 1.423 8.288 -6.352 1.00 0.48 C ATOM 1284 CD GLU A 81 0.024 8.528 -6.883 1.00 0.38 C ATOM 1285 OE1 GLU A 81 -0.773 7.568 -6.928 1.00 0.58 O ATOM 1286 OE2 GLU A 81 -0.287 9.681 -7.243 1.00 0.41 O ATOM 0 H GLU A 81 3.867 8.619 -3.751 1.00 0.17 H new ATOM 0 HA GLU A 81 2.755 6.718 -3.558 1.00 0.20 H new ATOM 0 HB2 GLU A 81 0.851 6.533 -5.281 1.00 0.33 H new ATOM 0 HB3 GLU A 81 0.941 7.980 -4.296 1.00 0.33 H new ATOM 0 HG2 GLU A 81 1.895 9.247 -6.138 1.00 0.48 H new ATOM 0 HG3 GLU A 81 2.021 7.804 -7.124 1.00 0.48 H new ATOM 1293 N LEU A 82 2.598 5.276 -6.321 1.00 0.16 N ATOM 1294 CA LEU A 82 2.847 3.996 -7.010 1.00 0.18 C ATOM 1295 C LEU A 82 4.328 3.708 -7.281 1.00 0.16 C ATOM 1296 O LEU A 82 4.831 2.635 -6.931 1.00 0.20 O ATOM 1297 CB LEU A 82 2.066 3.929 -8.335 1.00 0.24 C ATOM 1298 CG LEU A 82 2.528 4.859 -9.470 1.00 0.28 C ATOM 1299 CD1 LEU A 82 1.740 4.576 -10.738 1.00 1.06 C ATOM 1300 CD2 LEU A 82 2.373 6.319 -9.082 1.00 1.19 C ATOM 0 H LEU A 82 1.779 5.770 -6.674 1.00 0.16 H new ATOM 0 HA LEU A 82 2.497 3.227 -6.321 1.00 0.18 H new ATOM 0 HB2 LEU A 82 2.108 2.903 -8.701 1.00 0.24 H new ATOM 0 HB3 LEU A 82 1.020 4.149 -8.122 1.00 0.24 H new ATOM 0 HG LEU A 82 3.585 4.663 -9.652 1.00 0.28 H new ATOM 0 HD11 LEU A 82 2.078 5.242 -11.532 1.00 1.06 H new ATOM 0 HD12 LEU A 82 1.897 3.541 -11.041 1.00 1.06 H new ATOM 0 HD13 LEU A 82 0.679 4.742 -10.552 1.00 1.06 H new ATOM 0 HD21 LEU A 82 2.708 6.951 -9.904 1.00 1.19 H new ATOM 0 HD22 LEU A 82 1.325 6.529 -8.866 1.00 1.19 H new ATOM 0 HD23 LEU A 82 2.975 6.526 -8.197 1.00 1.19 H new ATOM 1312 N ASP A 83 5.022 4.649 -7.900 1.00 0.20 N ATOM 1313 CA ASP A 83 6.407 4.433 -8.288 1.00 0.24 C ATOM 1314 C ASP A 83 7.344 4.937 -7.206 1.00 0.26 C ATOM 1315 O ASP A 83 7.995 5.974 -7.347 1.00 0.56 O ATOM 1316 CB ASP A 83 6.706 5.111 -9.628 1.00 0.34 C ATOM 1317 CG ASP A 83 8.134 4.892 -10.097 1.00 1.21 C ATOM 1318 OD1 ASP A 83 8.721 3.837 -9.780 1.00 1.72 O ATOM 1319 OD2 ASP A 83 8.663 5.768 -10.810 1.00 2.00 O ATOM 0 H ASP A 83 4.651 5.567 -8.144 1.00 0.20 H new ATOM 0 HA ASP A 83 6.569 3.362 -8.409 1.00 0.24 H new ATOM 0 HB2 ASP A 83 6.019 4.730 -10.383 1.00 0.34 H new ATOM 0 HB3 ASP A 83 6.519 6.181 -9.538 1.00 0.34 H new ATOM 1324 N TYR A 84 7.360 4.220 -6.098 1.00 0.21 N ATOM 1325 CA TYR A 84 8.232 4.547 -4.997 1.00 0.19 C ATOM 1326 C TYR A 84 9.342 3.526 -4.865 1.00 0.21 C ATOM 1327 O TYR A 84 9.100 2.327 -4.878 1.00 0.33 O ATOM 1328 CB TYR A 84 7.450 4.635 -3.694 1.00 0.19 C ATOM 1329 CG TYR A 84 7.489 6.013 -3.107 1.00 0.19 C ATOM 1330 CD1 TYR A 84 8.699 6.585 -2.760 1.00 0.24 C ATOM 1331 CD2 TYR A 84 6.330 6.749 -2.921 1.00 0.19 C ATOM 1332 CE1 TYR A 84 8.759 7.858 -2.240 1.00 0.28 C ATOM 1333 CE2 TYR A 84 6.376 8.025 -2.401 1.00 0.21 C ATOM 1334 CZ TYR A 84 7.599 8.575 -2.060 1.00 0.25 C ATOM 1335 OH TYR A 84 7.667 9.842 -1.534 1.00 0.30 O ATOM 0 H TYR A 84 6.772 3.402 -5.941 1.00 0.21 H new ATOM 0 HA TYR A 84 8.677 5.520 -5.204 1.00 0.19 H new ATOM 0 HB2 TYR A 84 6.414 4.346 -3.873 1.00 0.19 H new ATOM 0 HB3 TYR A 84 7.860 3.924 -2.977 1.00 0.19 H new ATOM 0 HD1 TYR A 84 9.611 6.024 -2.899 1.00 0.24 H new ATOM 0 HD2 TYR A 84 5.377 6.317 -3.187 1.00 0.19 H new ATOM 0 HE1 TYR A 84 9.712 8.292 -1.975 1.00 0.28 H new ATOM 0 HE2 TYR A 84 5.466 8.590 -2.261 1.00 0.21 H new ATOM 0 HH TYR A 84 8.521 10.254 -1.782 1.00 0.30 H new ATOM 1345 N GLN A 85 10.550 4.023 -4.701 1.00 0.27 N ATOM 1346 CA GLN A 85 11.736 3.188 -4.561 1.00 0.28 C ATOM 1347 C GLN A 85 11.874 2.712 -3.117 1.00 0.24 C ATOM 1348 O GLN A 85 12.904 2.167 -2.718 1.00 0.28 O ATOM 1349 CB GLN A 85 12.978 3.990 -4.999 1.00 0.40 C ATOM 1350 CG GLN A 85 13.618 4.867 -3.910 1.00 0.70 C ATOM 1351 CD GLN A 85 12.660 5.829 -3.208 1.00 0.77 C ATOM 1352 OE1 GLN A 85 11.699 6.386 -3.922 1.00 1.74 O flip ATOM 1353 NE2 GLN A 85 12.820 6.108 -2.024 1.00 0.74 N flip ATOM 0 H GLN A 85 10.743 5.024 -4.660 1.00 0.27 H new ATOM 0 HA GLN A 85 11.644 2.308 -5.198 1.00 0.28 H new ATOM 0 HB2 GLN A 85 13.729 3.291 -5.366 1.00 0.40 H new ATOM 0 HB3 GLN A 85 12.700 4.628 -5.838 1.00 0.40 H new ATOM 0 HG2 GLN A 85 14.070 4.217 -3.161 1.00 0.70 H new ATOM 0 HG3 GLN A 85 14.425 5.446 -4.359 1.00 0.70 H new ATOM 0 HE21 GLN A 85 13.569 5.665 -1.492 1.00 0.74 H new ATOM 0 HE22 GLN A 85 12.204 6.783 -1.571 1.00 0.74 H new ATOM 1362 N LEU A 86 10.786 2.887 -2.382 1.00 0.22 N ATOM 1363 CA LEU A 86 10.708 2.624 -0.945 1.00 0.24 C ATOM 1364 C LEU A 86 11.671 3.472 -0.124 1.00 0.30 C ATOM 1365 O LEU A 86 12.835 3.675 -0.477 1.00 0.34 O ATOM 1366 CB LEU A 86 10.917 1.139 -0.621 1.00 0.25 C ATOM 1367 CG LEU A 86 9.813 0.214 -1.116 1.00 0.29 C ATOM 1368 CD1 LEU A 86 8.452 0.778 -0.743 1.00 0.75 C ATOM 1369 CD2 LEU A 86 9.938 0.002 -2.611 1.00 0.86 C ATOM 0 H LEU A 86 9.907 3.225 -2.775 1.00 0.22 H new ATOM 0 HA LEU A 86 9.696 2.909 -0.659 1.00 0.24 H new ATOM 0 HB2 LEU A 86 11.863 0.817 -1.056 1.00 0.25 H new ATOM 0 HB3 LEU A 86 11.008 1.027 0.459 1.00 0.25 H new ATOM 0 HG LEU A 86 9.915 -0.758 -0.633 1.00 0.29 H new ATOM 0 HD11 LEU A 86 7.670 0.109 -1.102 1.00 0.75 H new ATOM 0 HD12 LEU A 86 8.381 0.871 0.341 1.00 0.75 H new ATOM 0 HD13 LEU A 86 8.327 1.760 -1.200 1.00 0.75 H new ATOM 0 HD21 LEU A 86 9.143 -0.661 -2.952 1.00 0.86 H new ATOM 0 HD22 LEU A 86 9.855 0.961 -3.123 1.00 0.86 H new ATOM 0 HD23 LEU A 86 10.906 -0.447 -2.835 1.00 0.86 H new ATOM 1381 N GLN A 87 11.160 3.964 0.985 1.00 0.39 N ATOM 1382 CA GLN A 87 11.952 4.722 1.924 1.00 0.51 C ATOM 1383 C GLN A 87 11.954 3.965 3.243 1.00 0.76 C ATOM 1384 O GLN A 87 11.034 3.194 3.519 1.00 1.74 O ATOM 1385 CB GLN A 87 11.367 6.128 2.099 1.00 0.46 C ATOM 1386 CG GLN A 87 11.027 6.817 0.791 1.00 0.86 C ATOM 1387 CD GLN A 87 9.554 7.172 0.708 1.00 0.65 C ATOM 1388 OE1 GLN A 87 8.742 6.207 0.297 1.00 1.18 O flip ATOM 1389 NE2 GLN A 87 9.145 8.284 1.046 1.00 0.48 N flip ATOM 0 H GLN A 87 10.184 3.849 1.259 1.00 0.39 H new ATOM 0 HA GLN A 87 12.973 4.838 1.560 1.00 0.51 H new ATOM 0 HB2 GLN A 87 10.466 6.063 2.710 1.00 0.46 H new ATOM 0 HB3 GLN A 87 12.081 6.743 2.648 1.00 0.46 H new ATOM 0 HG2 GLN A 87 11.625 7.723 0.691 1.00 0.86 H new ATOM 0 HG3 GLN A 87 11.292 6.166 -0.042 1.00 0.86 H new ATOM 0 HE21 GLN A 87 9.805 8.998 1.356 1.00 0.48 H new ATOM 0 HE22 GLN A 87 8.147 8.491 1.016 1.00 0.48 H new ATOM 1398 N ASP A 88 12.981 4.149 4.047 1.00 0.43 N ATOM 1399 CA ASP A 88 13.095 3.388 5.277 1.00 0.40 C ATOM 1400 C ASP A 88 11.971 3.747 6.238 1.00 0.32 C ATOM 1401 O ASP A 88 11.632 4.924 6.413 1.00 0.36 O ATOM 1402 CB ASP A 88 14.464 3.588 5.946 1.00 0.56 C ATOM 1403 CG ASP A 88 14.633 4.951 6.593 1.00 1.40 C ATOM 1404 OD1 ASP A 88 14.840 5.942 5.860 1.00 2.44 O ATOM 1405 OD2 ASP A 88 14.527 5.046 7.836 1.00 1.53 O ATOM 0 H ASP A 88 13.740 4.809 3.876 1.00 0.43 H new ATOM 0 HA ASP A 88 13.008 2.333 5.017 1.00 0.40 H new ATOM 0 HB2 ASP A 88 14.605 2.816 6.703 1.00 0.56 H new ATOM 0 HB3 ASP A 88 15.247 3.450 5.200 1.00 0.56 H new ATOM 1410 N GLN A 89 11.379 2.708 6.821 1.00 0.31 N ATOM 1411 CA GLN A 89 10.283 2.852 7.774 1.00 0.34 C ATOM 1412 C GLN A 89 9.040 3.428 7.101 1.00 0.34 C ATOM 1413 O GLN A 89 8.239 4.109 7.743 1.00 0.42 O ATOM 1414 CB GLN A 89 10.700 3.732 8.958 1.00 0.40 C ATOM 1415 CG GLN A 89 11.828 3.148 9.796 1.00 0.62 C ATOM 1416 CD GLN A 89 11.459 1.819 10.426 1.00 0.77 C ATOM 1417 OE1 GLN A 89 10.908 1.773 11.525 1.00 1.56 O ATOM 1418 NE2 GLN A 89 11.777 0.728 9.747 1.00 0.71 N ATOM 0 H GLN A 89 11.647 1.740 6.645 1.00 0.31 H new ATOM 0 HA GLN A 89 10.040 1.858 8.149 1.00 0.34 H new ATOM 0 HB2 GLN A 89 11.008 4.707 8.582 1.00 0.40 H new ATOM 0 HB3 GLN A 89 9.833 3.897 9.598 1.00 0.40 H new ATOM 0 HG2 GLN A 89 12.710 3.016 9.170 1.00 0.62 H new ATOM 0 HG3 GLN A 89 12.097 3.856 10.580 1.00 0.62 H new ATOM 0 HE21 GLN A 89 12.233 0.808 8.838 1.00 0.71 H new ATOM 0 HE22 GLN A 89 11.566 -0.192 10.133 1.00 0.71 H new ATOM 1427 N ASP A 90 8.875 3.139 5.809 1.00 0.30 N ATOM 1428 CA ASP A 90 7.689 3.577 5.080 1.00 0.34 C ATOM 1429 C ASP A 90 6.449 2.962 5.685 1.00 0.32 C ATOM 1430 O ASP A 90 6.192 1.772 5.506 1.00 0.45 O ATOM 1431 CB ASP A 90 7.745 3.182 3.596 1.00 0.45 C ATOM 1432 CG ASP A 90 8.283 4.253 2.693 1.00 0.75 C ATOM 1433 OD1 ASP A 90 8.329 5.418 3.139 1.00 1.17 O ATOM 1434 OD2 ASP A 90 8.684 3.937 1.556 1.00 1.06 O ATOM 0 H ASP A 90 9.544 2.607 5.251 1.00 0.30 H new ATOM 0 HA ASP A 90 7.657 4.664 5.154 1.00 0.34 H new ATOM 0 HB2 ASP A 90 8.364 2.291 3.492 1.00 0.45 H new ATOM 0 HB3 ASP A 90 6.742 2.914 3.265 1.00 0.45 H new ATOM 1439 N SER A 91 5.688 3.745 6.423 1.00 0.23 N ATOM 1440 CA SER A 91 4.426 3.293 6.884 1.00 0.21 C ATOM 1441 C SER A 91 3.404 3.562 5.808 1.00 0.17 C ATOM 1442 O SER A 91 2.889 4.670 5.678 1.00 0.17 O ATOM 1443 CB SER A 91 4.074 4.020 8.161 1.00 0.25 C ATOM 1444 OG SER A 91 4.868 3.570 9.248 1.00 1.14 O ATOM 0 H SER A 91 5.936 4.693 6.707 1.00 0.23 H new ATOM 0 HA SER A 91 4.448 2.224 7.095 1.00 0.21 H new ATOM 0 HB2 SER A 91 4.217 5.092 8.023 1.00 0.25 H new ATOM 0 HB3 SER A 91 3.020 3.866 8.390 1.00 0.25 H new ATOM 0 HG SER A 91 4.619 4.059 10.060 1.00 1.14 H new ATOM 1450 N ILE A 92 3.157 2.549 5.015 1.00 0.17 N ATOM 1451 CA ILE A 92 2.226 2.654 3.921 1.00 0.15 C ATOM 1452 C ILE A 92 0.858 2.239 4.421 1.00 0.14 C ATOM 1453 O ILE A 92 0.600 1.061 4.678 1.00 0.17 O ATOM 1454 CB ILE A 92 2.652 1.781 2.719 1.00 0.17 C ATOM 1455 CG1 ILE A 92 4.154 1.949 2.429 1.00 0.19 C ATOM 1456 CG2 ILE A 92 1.836 2.140 1.487 1.00 0.19 C ATOM 1457 CD1 ILE A 92 4.595 3.389 2.228 1.00 0.21 C ATOM 0 H ILE A 92 3.594 1.632 5.110 1.00 0.17 H new ATOM 0 HA ILE A 92 2.205 3.685 3.568 1.00 0.15 H new ATOM 0 HB ILE A 92 2.464 0.738 2.972 1.00 0.17 H new ATOM 0 HG12 ILE A 92 4.722 1.519 3.254 1.00 0.19 H new ATOM 0 HG13 ILE A 92 4.406 1.376 1.537 1.00 0.19 H new ATOM 0 HG21 ILE A 92 2.148 1.516 0.649 1.00 0.19 H new ATOM 0 HG22 ILE A 92 0.778 1.972 1.690 1.00 0.19 H new ATOM 0 HG23 ILE A 92 1.996 3.189 1.238 1.00 0.19 H new ATOM 0 HD11 ILE A 92 5.666 3.417 2.029 1.00 0.21 H new ATOM 0 HD12 ILE A 92 4.057 3.820 1.383 1.00 0.21 H new ATOM 0 HD13 ILE A 92 4.378 3.965 3.128 1.00 0.21 H new ATOM 1469 N LEU A 93 -0.002 3.217 4.583 1.00 0.13 N ATOM 1470 CA LEU A 93 -1.277 3.002 5.224 1.00 0.14 C ATOM 1471 C LEU A 93 -2.407 3.308 4.259 1.00 0.14 C ATOM 1472 O LEU A 93 -2.457 4.394 3.688 1.00 0.19 O ATOM 1473 CB LEU A 93 -1.377 3.900 6.459 1.00 0.18 C ATOM 1474 CG LEU A 93 -2.165 3.309 7.625 1.00 0.32 C ATOM 1475 CD1 LEU A 93 -2.373 4.348 8.717 1.00 0.63 C ATOM 1476 CD2 LEU A 93 -3.489 2.768 7.135 1.00 0.56 C ATOM 0 H LEU A 93 0.161 4.176 4.277 1.00 0.13 H new ATOM 0 HA LEU A 93 -1.359 1.958 5.528 1.00 0.14 H new ATOM 0 HB2 LEU A 93 -0.369 4.133 6.802 1.00 0.18 H new ATOM 0 HB3 LEU A 93 -1.841 4.843 6.168 1.00 0.18 H new ATOM 0 HG LEU A 93 -1.592 2.486 8.053 1.00 0.32 H new ATOM 0 HD11 LEU A 93 -2.937 3.905 9.538 1.00 0.63 H new ATOM 0 HD12 LEU A 93 -1.405 4.689 9.084 1.00 0.63 H new ATOM 0 HD13 LEU A 93 -2.927 5.195 8.312 1.00 0.63 H new ATOM 0 HD21 LEU A 93 -4.044 2.349 7.974 1.00 0.56 H new ATOM 0 HD22 LEU A 93 -4.067 3.575 6.685 1.00 0.56 H new ATOM 0 HD23 LEU A 93 -3.312 1.990 6.392 1.00 0.56 H new ATOM 1488 N PHE A 94 -3.305 2.352 4.081 1.00 0.13 N ATOM 1489 CA PHE A 94 -4.472 2.570 3.246 1.00 0.14 C ATOM 1490 C PHE A 94 -5.673 2.935 4.117 1.00 0.13 C ATOM 1491 O PHE A 94 -6.174 2.108 4.880 1.00 0.15 O ATOM 1492 CB PHE A 94 -4.791 1.307 2.432 1.00 0.18 C ATOM 1493 CG PHE A 94 -3.707 0.894 1.472 1.00 0.21 C ATOM 1494 CD1 PHE A 94 -2.514 0.358 1.934 1.00 0.27 C ATOM 1495 CD2 PHE A 94 -3.883 1.041 0.105 1.00 0.26 C ATOM 1496 CE1 PHE A 94 -1.520 -0.018 1.054 1.00 0.32 C ATOM 1497 CE2 PHE A 94 -2.891 0.669 -0.780 1.00 0.31 C ATOM 1498 CZ PHE A 94 -1.709 0.136 -0.305 1.00 0.33 C ATOM 0 H PHE A 94 -3.248 1.424 4.501 1.00 0.13 H new ATOM 0 HA PHE A 94 -4.260 3.389 2.559 1.00 0.14 H new ATOM 0 HB2 PHE A 94 -4.982 0.484 3.121 1.00 0.18 H new ATOM 0 HB3 PHE A 94 -5.711 1.474 1.872 1.00 0.18 H new ATOM 0 HD1 PHE A 94 -2.361 0.233 2.996 1.00 0.27 H new ATOM 0 HD2 PHE A 94 -4.808 1.452 -0.272 1.00 0.26 H new ATOM 0 HE1 PHE A 94 -0.595 -0.432 1.428 1.00 0.32 H new ATOM 0 HE2 PHE A 94 -3.039 0.795 -1.842 1.00 0.31 H new ATOM 0 HZ PHE A 94 -0.933 -0.160 -0.996 1.00 0.33 H new ATOM 1508 N ILE A 95 -6.149 4.160 3.983 1.00 0.13 N ATOM 1509 CA ILE A 95 -7.282 4.631 4.765 1.00 0.17 C ATOM 1510 C ILE A 95 -8.448 4.956 3.852 1.00 0.18 C ATOM 1511 O ILE A 95 -8.434 5.969 3.160 1.00 0.20 O ATOM 1512 CB ILE A 95 -6.948 5.895 5.602 1.00 0.26 C ATOM 1513 CG1 ILE A 95 -5.756 5.658 6.532 1.00 0.27 C ATOM 1514 CG2 ILE A 95 -8.160 6.338 6.411 1.00 0.35 C ATOM 1515 CD1 ILE A 95 -4.417 5.906 5.880 1.00 1.16 C ATOM 0 H ILE A 95 -5.767 4.851 3.337 1.00 0.13 H new ATOM 0 HA ILE A 95 -7.539 3.825 5.452 1.00 0.17 H new ATOM 0 HB ILE A 95 -6.677 6.686 4.903 1.00 0.26 H new ATOM 0 HG12 ILE A 95 -5.852 6.307 7.403 1.00 0.27 H new ATOM 0 HG13 ILE A 95 -5.789 4.631 6.895 1.00 0.27 H new ATOM 0 HG21 ILE A 95 -7.906 7.225 6.991 1.00 0.35 H new ATOM 0 HG22 ILE A 95 -8.983 6.570 5.735 1.00 0.35 H new ATOM 0 HG23 ILE A 95 -8.459 5.537 7.086 1.00 0.35 H new ATOM 0 HD11 ILE A 95 -3.621 5.718 6.600 1.00 1.16 H new ATOM 0 HD12 ILE A 95 -4.299 5.239 5.026 1.00 1.16 H new ATOM 0 HD13 ILE A 95 -4.363 6.941 5.542 1.00 1.16 H new ATOM 1527 N SER A 96 -9.449 4.094 3.829 1.00 0.20 N ATOM 1528 CA SER A 96 -10.629 4.362 3.036 1.00 0.24 C ATOM 1529 C SER A 96 -11.388 5.542 3.626 1.00 0.28 C ATOM 1530 O SER A 96 -11.909 5.466 4.739 1.00 0.35 O ATOM 1531 CB SER A 96 -11.525 3.123 2.976 1.00 0.31 C ATOM 1532 OG SER A 96 -12.660 3.341 2.153 1.00 0.37 O ATOM 0 H SER A 96 -9.467 3.214 4.344 1.00 0.20 H new ATOM 0 HA SER A 96 -10.324 4.611 2.019 1.00 0.24 H new ATOM 0 HB2 SER A 96 -10.953 2.278 2.593 1.00 0.31 H new ATOM 0 HB3 SER A 96 -11.849 2.858 3.982 1.00 0.31 H new ATOM 0 HG SER A 96 -13.211 2.531 2.134 1.00 0.37 H new ATOM 1538 N THR A 97 -11.453 6.628 2.870 1.00 0.27 N ATOM 1539 CA THR A 97 -12.132 7.823 3.327 1.00 0.36 C ATOM 1540 C THR A 97 -13.602 7.755 2.935 1.00 0.48 C ATOM 1541 O THR A 97 -14.368 8.693 3.156 1.00 0.58 O ATOM 1542 CB THR A 97 -11.474 9.111 2.768 1.00 0.34 C ATOM 1543 OG1 THR A 97 -11.999 10.268 3.434 1.00 0.43 O ATOM 1544 CG2 THR A 97 -11.702 9.253 1.268 1.00 0.35 C ATOM 0 H THR A 97 -11.043 6.703 1.939 1.00 0.27 H new ATOM 0 HA THR A 97 -12.048 7.868 4.413 1.00 0.36 H new ATOM 0 HB THR A 97 -10.402 9.032 2.950 1.00 0.34 H new ATOM 0 HG1 THR A 97 -12.974 10.192 3.503 1.00 0.43 H new ATOM 0 HG21 THR A 97 -11.226 10.167 0.913 1.00 0.35 H new ATOM 0 HG22 THR A 97 -11.271 8.395 0.752 1.00 0.35 H new ATOM 0 HG23 THR A 97 -12.772 9.298 1.065 1.00 0.35 H new