USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 500 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 109 MET CE :methyl -149:sc= -0.556 (180deg=-1.07) USER MOD Set 1.2: A 145 MET CE :methyl 170:sc= -0.154 (180deg=-0.555) USER MOD Single : A 94 LYS NZ :NH3+ -113:sc= -1.46 (180deg=-4.09!) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.714 USER MOD Single : A 107 HIS : no HD1:sc= -0.0802 X(o=-0.08,f=-0.22) USER MOD Single : A 110 THR OG1 : rot -69:sc= -0.853! USER MOD Single : A 111 ASN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 115 LYS NZ :NH3+ -159:sc= -0.0547 (180deg=-0.535) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.00861 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= -4.31! C(o=-4.3!,f=-4.2!) USER MOD Single : A 137 ASN : amide:sc= -1.34! C(o=-1.3!,f=-5.5!) USER MOD Single : A 138 TYR OH : rot 165:sc= 0 USER MOD Single : A 143 GLN : amide:sc= -0.231 X(o=-0.23,f=-0.21) USER MOD Single : A 144 MET CE :methyl -159:sc= -0.549 (180deg=-1.72) USER MOD Single : A 146 THR OG1 : rot -76:sc= 0.485 USER MOD Single : A 148 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 82 11.391 14.848 2.748 1.00 0.23 N ATOM 2 CA GLU A 82 12.770 15.044 2.222 1.00 0.25 C ATOM 3 C GLU A 82 13.163 16.516 2.309 1.00 0.20 C ATOM 4 O GLU A 82 14.245 16.839 2.756 1.00 0.19 O ATOM 5 CB GLU A 82 12.859 14.534 0.768 1.00 0.48 C ATOM 6 CG GLU A 82 12.284 15.546 -0.232 1.00 1.68 C ATOM 7 CD GLU A 82 10.827 15.850 0.123 1.00 1.54 C ATOM 8 OE1 GLU A 82 10.173 14.971 0.661 1.00 1.71 O ATOM 9 OE2 GLU A 82 10.388 16.954 -0.151 1.00 1.97 O ATOM 0 HA GLU A 82 13.469 14.469 2.830 1.00 0.25 H new ATOM 0 HB2 GLU A 82 13.900 14.329 0.519 1.00 0.48 H new ATOM 0 HB3 GLU A 82 12.319 13.591 0.681 1.00 0.48 H new ATOM 0 HG2 GLU A 82 12.872 16.464 -0.214 1.00 1.68 H new ATOM 0 HG3 GLU A 82 12.346 15.147 -1.244 1.00 1.68 H new ATOM 15 N GLU A 83 12.315 17.422 1.912 1.00 0.19 N ATOM 16 CA GLU A 83 12.658 18.868 1.999 1.00 0.16 C ATOM 17 C GLU A 83 13.050 19.196 3.436 1.00 0.11 C ATOM 18 O GLU A 83 13.921 20.005 3.686 1.00 0.11 O ATOM 19 CB GLU A 83 11.444 19.720 1.580 1.00 0.22 C ATOM 20 CG GLU A 83 11.419 19.898 0.055 1.00 0.78 C ATOM 21 CD GLU A 83 10.057 20.452 -0.370 1.00 0.97 C ATOM 22 OE1 GLU A 83 9.177 20.520 0.473 1.00 2.22 O ATOM 23 OE2 GLU A 83 9.918 20.800 -1.531 1.00 0.99 O ATOM 0 H GLU A 83 11.392 17.221 1.528 1.00 0.19 H new ATOM 0 HA GLU A 83 13.490 19.090 1.330 1.00 0.16 H new ATOM 0 HB2 GLU A 83 10.523 19.241 1.912 1.00 0.22 H new ATOM 0 HB3 GLU A 83 11.490 20.695 2.066 1.00 0.22 H new ATOM 0 HG2 GLU A 83 12.213 20.577 -0.256 1.00 0.78 H new ATOM 0 HG3 GLU A 83 11.605 18.943 -0.437 1.00 0.78 H new ATOM 30 N GLU A 84 12.424 18.559 4.378 1.00 0.09 N ATOM 31 CA GLU A 84 12.772 18.815 5.798 1.00 0.07 C ATOM 32 C GLU A 84 14.221 18.403 6.012 1.00 0.08 C ATOM 33 O GLU A 84 14.994 19.106 6.632 1.00 0.13 O ATOM 34 CB GLU A 84 11.862 17.997 6.718 1.00 0.08 C ATOM 35 CG GLU A 84 10.424 18.504 6.595 1.00 0.30 C ATOM 36 CD GLU A 84 9.862 18.110 5.228 1.00 1.19 C ATOM 37 OE1 GLU A 84 10.423 17.218 4.613 1.00 1.64 O ATOM 38 OE2 GLU A 84 8.880 18.707 4.820 1.00 2.28 O ATOM 0 H GLU A 84 11.686 17.871 4.227 1.00 0.09 H new ATOM 0 HA GLU A 84 12.639 19.872 6.030 1.00 0.07 H new ATOM 0 HB2 GLU A 84 11.911 16.941 6.451 1.00 0.08 H new ATOM 0 HB3 GLU A 84 12.201 18.080 7.751 1.00 0.08 H new ATOM 0 HG2 GLU A 84 9.808 18.081 7.389 1.00 0.30 H new ATOM 0 HG3 GLU A 84 10.397 19.587 6.713 1.00 0.30 H new ATOM 45 N ILE A 85 14.606 17.281 5.477 1.00 0.09 N ATOM 46 CA ILE A 85 16.021 16.860 5.631 1.00 0.14 C ATOM 47 C ILE A 85 16.879 17.949 4.979 1.00 0.08 C ATOM 48 O ILE A 85 17.914 18.325 5.489 1.00 0.09 O ATOM 49 CB ILE A 85 16.251 15.482 4.946 1.00 0.20 C ATOM 50 CG1 ILE A 85 15.746 14.350 5.885 1.00 0.27 C ATOM 51 CG2 ILE A 85 17.751 15.292 4.620 1.00 0.21 C ATOM 52 CD1 ILE A 85 16.321 12.983 5.477 1.00 0.30 C ATOM 0 H ILE A 85 14.010 16.645 4.947 1.00 0.09 H new ATOM 0 HA ILE A 85 16.287 16.742 6.681 1.00 0.14 H new ATOM 0 HB ILE A 85 15.693 15.443 4.011 1.00 0.20 H new ATOM 0 HG12 ILE A 85 16.031 14.574 6.913 1.00 0.27 H new ATOM 0 HG13 ILE A 85 14.657 14.311 5.857 1.00 0.27 H new ATOM 0 HG21 ILE A 85 17.899 14.324 4.141 1.00 0.21 H new ATOM 0 HG22 ILE A 85 18.080 16.084 3.948 1.00 0.21 H new ATOM 0 HG23 ILE A 85 18.332 15.334 5.541 1.00 0.21 H new ATOM 0 HD11 ILE A 85 15.948 12.215 6.154 1.00 0.30 H new ATOM 0 HD12 ILE A 85 16.014 12.749 4.458 1.00 0.30 H new ATOM 0 HD13 ILE A 85 17.409 13.016 5.530 1.00 0.30 H new ATOM 64 N ARG A 86 16.454 18.455 3.851 1.00 0.06 N ATOM 65 CA ARG A 86 17.250 19.510 3.164 1.00 0.09 C ATOM 66 C ARG A 86 17.243 20.790 3.993 1.00 0.11 C ATOM 67 O ARG A 86 18.246 21.471 4.068 1.00 0.17 O ATOM 68 CB ARG A 86 16.661 19.784 1.778 1.00 0.14 C ATOM 69 CG ARG A 86 17.471 20.883 1.085 1.00 0.60 C ATOM 70 CD ARG A 86 17.039 20.993 -0.379 1.00 0.60 C ATOM 71 NE ARG A 86 17.646 22.212 -0.988 1.00 0.90 N ATOM 72 CZ ARG A 86 17.664 22.354 -2.286 1.00 1.64 C ATOM 73 NH1 ARG A 86 17.145 21.430 -3.049 1.00 2.72 N ATOM 74 NH2 ARG A 86 18.201 23.418 -2.818 1.00 1.61 N ATOM 0 H ARG A 86 15.592 18.183 3.378 1.00 0.06 H new ATOM 0 HA ARG A 86 18.278 19.165 3.053 1.00 0.09 H new ATOM 0 HB2 ARG A 86 16.676 18.874 1.179 1.00 0.14 H new ATOM 0 HB3 ARG A 86 15.618 20.089 1.868 1.00 0.14 H new ATOM 0 HG2 ARG A 86 17.319 21.836 1.592 1.00 0.60 H new ATOM 0 HG3 ARG A 86 18.536 20.657 1.145 1.00 0.60 H new ATOM 0 HD2 ARG A 86 17.351 20.105 -0.929 1.00 0.60 H new ATOM 0 HD3 ARG A 86 15.952 21.043 -0.446 1.00 0.60 H new ATOM 0 HE ARG A 86 18.047 22.935 -0.390 1.00 0.90 H new ATOM 0 HH11 ARG A 86 16.726 20.599 -2.631 1.00 2.72 H new ATOM 0 HH12 ARG A 86 17.158 21.539 -4.063 1.00 2.72 H new ATOM 0 HH21 ARG A 86 18.606 24.138 -2.220 1.00 1.61 H new ATOM 0 HH22 ARG A 86 18.215 23.529 -3.832 1.00 1.61 H new ATOM 88 N GLU A 87 16.140 21.172 4.605 1.00 0.09 N ATOM 89 CA GLU A 87 16.151 22.442 5.382 1.00 0.12 C ATOM 90 C GLU A 87 17.006 22.278 6.636 1.00 0.10 C ATOM 91 O GLU A 87 17.694 23.196 7.034 1.00 0.10 O ATOM 92 CB GLU A 87 14.722 22.908 5.729 1.00 0.14 C ATOM 93 CG GLU A 87 14.088 23.575 4.504 1.00 0.39 C ATOM 94 CD GLU A 87 14.769 24.921 4.242 1.00 1.85 C ATOM 95 OE1 GLU A 87 15.398 25.432 5.154 1.00 2.39 O ATOM 96 OE2 GLU A 87 14.649 25.418 3.134 1.00 3.05 O ATOM 0 H GLU A 87 15.255 20.666 4.597 1.00 0.09 H new ATOM 0 HA GLU A 87 16.593 23.221 4.761 1.00 0.12 H new ATOM 0 HB2 GLU A 87 14.118 22.058 6.046 1.00 0.14 H new ATOM 0 HB3 GLU A 87 14.750 23.608 6.564 1.00 0.14 H new ATOM 0 HG2 GLU A 87 14.190 22.929 3.632 1.00 0.39 H new ATOM 0 HG3 GLU A 87 13.021 23.722 4.669 1.00 0.39 H new ATOM 103 N ALA A 88 17.015 21.131 7.255 1.00 0.07 N ATOM 104 CA ALA A 88 17.882 20.984 8.443 1.00 0.06 C ATOM 105 C ALA A 88 19.302 21.133 7.946 1.00 0.04 C ATOM 106 O ALA A 88 20.076 21.902 8.451 1.00 0.06 O ATOM 107 CB ALA A 88 17.697 19.590 9.046 1.00 0.05 C ATOM 0 H ALA A 88 16.471 20.309 6.993 1.00 0.07 H new ATOM 0 HA ALA A 88 17.642 21.723 9.208 1.00 0.06 H new ATOM 0 HB1 ALA A 88 18.337 19.484 9.922 1.00 0.05 H new ATOM 0 HB2 ALA A 88 16.656 19.456 9.340 1.00 0.05 H new ATOM 0 HB3 ALA A 88 17.966 18.835 8.307 1.00 0.05 H new ATOM 113 N PHE A 89 19.652 20.421 6.916 1.00 0.05 N ATOM 114 CA PHE A 89 21.027 20.565 6.400 1.00 0.06 C ATOM 115 C PHE A 89 21.286 22.060 6.136 1.00 0.07 C ATOM 116 O PHE A 89 22.339 22.575 6.454 1.00 0.08 O ATOM 117 CB PHE A 89 21.214 19.711 5.133 1.00 0.07 C ATOM 118 CG PHE A 89 21.640 18.308 5.532 1.00 0.07 C ATOM 119 CD1 PHE A 89 22.863 18.123 6.189 1.00 0.09 C ATOM 120 CD2 PHE A 89 20.824 17.194 5.251 1.00 0.06 C ATOM 121 CE1 PHE A 89 23.270 16.857 6.565 1.00 0.11 C ATOM 122 CE2 PHE A 89 21.250 15.902 5.644 1.00 0.09 C ATOM 123 CZ PHE A 89 22.486 15.755 6.306 1.00 0.11 C ATOM 0 H PHE A 89 19.055 19.759 6.420 1.00 0.05 H new ATOM 0 HA PHE A 89 21.753 20.205 7.129 1.00 0.06 H new ATOM 0 HB2 PHE A 89 20.284 19.674 4.565 1.00 0.07 H new ATOM 0 HB3 PHE A 89 21.966 20.161 4.485 1.00 0.07 H new ATOM 0 HD1 PHE A 89 23.492 18.975 6.403 1.00 0.09 H new ATOM 0 HD2 PHE A 89 19.881 17.325 4.740 1.00 0.06 H new ATOM 0 HE1 PHE A 89 24.217 16.730 7.069 1.00 0.11 H new ATOM 0 HE2 PHE A 89 20.635 15.038 5.439 1.00 0.09 H new ATOM 0 HZ PHE A 89 22.819 14.774 6.611 1.00 0.11 H new ATOM 133 N ARG A 90 20.323 22.775 5.601 1.00 0.07 N ATOM 134 CA ARG A 90 20.496 24.245 5.368 1.00 0.07 C ATOM 135 C ARG A 90 20.657 24.956 6.713 1.00 0.06 C ATOM 136 O ARG A 90 21.437 25.880 6.835 1.00 0.07 O ATOM 137 CB ARG A 90 19.266 24.792 4.640 1.00 0.06 C ATOM 138 CG ARG A 90 19.439 26.289 4.382 1.00 0.35 C ATOM 139 CD ARG A 90 18.255 26.801 3.561 1.00 0.34 C ATOM 140 NE ARG A 90 18.307 28.289 3.502 1.00 1.93 N ATOM 141 CZ ARG A 90 17.585 28.937 2.629 1.00 3.33 C ATOM 142 NH1 ARG A 90 16.806 28.285 1.810 1.00 4.69 N ATOM 143 NH2 ARG A 90 17.639 30.239 2.577 1.00 3.73 N ATOM 0 H ARG A 90 19.419 22.400 5.314 1.00 0.07 H new ATOM 0 HA ARG A 90 21.383 24.418 4.759 1.00 0.07 H new ATOM 0 HB2 ARG A 90 19.127 24.265 3.696 1.00 0.06 H new ATOM 0 HB3 ARG A 90 18.371 24.618 5.238 1.00 0.06 H new ATOM 0 HG2 ARG A 90 19.501 26.828 5.328 1.00 0.35 H new ATOM 0 HG3 ARG A 90 20.372 26.472 3.849 1.00 0.35 H new ATOM 0 HD2 ARG A 90 18.287 26.384 2.555 1.00 0.34 H new ATOM 0 HD3 ARG A 90 17.317 26.475 4.011 1.00 0.34 H new ATOM 0 HE ARG A 90 18.909 28.803 4.146 1.00 1.93 H new ATOM 0 HH11 ARG A 90 16.760 27.267 1.851 1.00 4.69 H new ATOM 0 HH12 ARG A 90 16.243 28.793 1.129 1.00 4.69 H new ATOM 0 HH21 ARG A 90 18.245 30.750 3.218 1.00 3.73 H new ATOM 0 HH22 ARG A 90 17.075 30.746 1.895 1.00 3.73 H new ATOM 157 N VAL A 91 19.958 24.530 7.740 1.00 0.06 N ATOM 158 CA VAL A 91 20.112 25.180 9.077 1.00 0.06 C ATOM 159 C VAL A 91 21.581 25.055 9.455 1.00 0.09 C ATOM 160 O VAL A 91 22.106 25.801 10.259 1.00 0.11 O ATOM 161 CB VAL A 91 19.238 24.428 10.118 1.00 0.04 C ATOM 162 CG1 VAL A 91 19.884 24.454 11.513 1.00 0.06 C ATOM 163 CG2 VAL A 91 17.846 25.071 10.189 1.00 0.02 C ATOM 0 H VAL A 91 19.289 23.761 7.708 1.00 0.06 H new ATOM 0 HA VAL A 91 19.800 26.224 9.052 1.00 0.06 H new ATOM 0 HB VAL A 91 19.152 23.390 9.798 1.00 0.04 H new ATOM 0 HG11 VAL A 91 19.248 23.919 12.219 1.00 0.06 H new ATOM 0 HG12 VAL A 91 20.862 23.974 11.470 1.00 0.06 H new ATOM 0 HG13 VAL A 91 20.001 25.487 11.841 1.00 0.06 H new ATOM 0 HG21 VAL A 91 17.237 24.540 10.920 1.00 0.02 H new ATOM 0 HG22 VAL A 91 17.942 26.115 10.486 1.00 0.02 H new ATOM 0 HG23 VAL A 91 17.369 25.015 9.210 1.00 0.02 H new ATOM 173 N PHE A 92 22.234 24.085 8.886 1.00 0.10 N ATOM 174 CA PHE A 92 23.655 23.837 9.189 1.00 0.13 C ATOM 175 C PHE A 92 24.524 24.429 8.084 1.00 0.17 C ATOM 176 O PHE A 92 25.702 24.151 7.997 1.00 0.19 O ATOM 177 CB PHE A 92 23.833 22.329 9.311 1.00 0.12 C ATOM 178 CG PHE A 92 23.384 21.932 10.700 1.00 0.11 C ATOM 179 CD1 PHE A 92 22.048 21.575 10.983 1.00 0.07 C ATOM 180 CD2 PHE A 92 24.312 22.005 11.721 1.00 0.17 C ATOM 181 CE1 PHE A 92 21.663 21.300 12.293 1.00 0.13 C ATOM 182 CE2 PHE A 92 23.932 21.712 13.039 1.00 0.21 C ATOM 183 CZ PHE A 92 22.600 21.367 13.322 1.00 0.19 C ATOM 0 H PHE A 92 21.826 23.441 8.208 1.00 0.10 H new ATOM 0 HA PHE A 92 23.959 24.313 10.121 1.00 0.13 H new ATOM 0 HB2 PHE A 92 23.244 21.810 8.554 1.00 0.12 H new ATOM 0 HB3 PHE A 92 24.875 22.051 9.150 1.00 0.12 H new ATOM 0 HD1 PHE A 92 21.324 21.515 10.184 1.00 0.07 H new ATOM 0 HD2 PHE A 92 25.331 22.288 11.504 1.00 0.17 H new ATOM 0 HE1 PHE A 92 20.639 21.035 12.511 1.00 0.13 H new ATOM 0 HE2 PHE A 92 24.662 21.752 13.834 1.00 0.21 H new ATOM 0 HZ PHE A 92 22.302 21.154 14.338 1.00 0.19 H new ATOM 193 N ASP A 93 23.964 25.297 7.282 1.00 0.20 N ATOM 194 CA ASP A 93 24.748 25.988 6.213 1.00 0.24 C ATOM 195 C ASP A 93 24.407 27.480 6.285 1.00 0.45 C ATOM 196 O ASP A 93 23.453 27.964 5.709 1.00 0.55 O ATOM 197 CB ASP A 93 24.384 25.430 4.838 1.00 0.27 C ATOM 198 CG ASP A 93 25.280 26.066 3.773 1.00 0.32 C ATOM 199 OD1 ASP A 93 26.124 26.867 4.138 1.00 1.03 O ATOM 200 OD2 ASP A 93 25.106 25.740 2.610 1.00 1.46 O ATOM 0 H ASP A 93 22.980 25.561 7.323 1.00 0.20 H new ATOM 0 HA ASP A 93 25.816 25.829 6.362 1.00 0.24 H new ATOM 0 HB2 ASP A 93 24.505 24.347 4.830 1.00 0.27 H new ATOM 0 HB3 ASP A 93 23.337 25.635 4.617 1.00 0.27 H new ATOM 205 N LYS A 94 25.181 28.173 7.067 1.00 0.56 N ATOM 206 CA LYS A 94 24.936 29.627 7.300 1.00 0.76 C ATOM 207 C LYS A 94 24.981 30.430 6.006 1.00 0.71 C ATOM 208 O LYS A 94 24.411 31.498 5.905 1.00 0.85 O ATOM 209 CB LYS A 94 26.030 30.157 8.229 1.00 0.95 C ATOM 210 CG LYS A 94 25.849 29.567 9.630 1.00 1.08 C ATOM 211 CD LYS A 94 26.809 30.259 10.605 1.00 1.67 C ATOM 212 CE LYS A 94 28.264 29.898 10.270 1.00 2.57 C ATOM 213 NZ LYS A 94 28.763 30.796 9.190 1.00 3.98 N ATOM 0 H LYS A 94 25.986 27.791 7.564 1.00 0.56 H new ATOM 0 HA LYS A 94 23.943 29.737 7.735 1.00 0.76 H new ATOM 0 HB2 LYS A 94 27.012 29.893 7.837 1.00 0.95 H new ATOM 0 HB3 LYS A 94 25.986 31.245 8.274 1.00 0.95 H new ATOM 0 HG2 LYS A 94 24.819 29.700 9.962 1.00 1.08 H new ATOM 0 HG3 LYS A 94 26.043 28.494 9.612 1.00 1.08 H new ATOM 0 HD2 LYS A 94 26.674 31.339 10.553 1.00 1.67 H new ATOM 0 HD3 LYS A 94 26.579 29.958 11.627 1.00 1.67 H new ATOM 0 HE2 LYS A 94 28.888 29.998 11.158 1.00 2.57 H new ATOM 0 HE3 LYS A 94 28.328 28.858 9.951 1.00 2.57 H new ATOM 0 HZ1 LYS A 94 28.930 30.241 8.326 1.00 3.98 H new ATOM 0 HZ2 LYS A 94 28.055 31.533 8.997 1.00 3.98 H new ATOM 0 HZ3 LYS A 94 29.653 31.242 9.492 1.00 3.98 H new ATOM 227 N ASP A 95 25.683 29.938 5.034 1.00 0.59 N ATOM 228 CA ASP A 95 25.812 30.682 3.744 1.00 0.54 C ATOM 229 C ASP A 95 24.859 30.126 2.686 1.00 0.19 C ATOM 230 O ASP A 95 24.937 30.495 1.532 1.00 0.21 O ATOM 231 CB ASP A 95 27.249 30.552 3.239 1.00 0.81 C ATOM 232 CG ASP A 95 28.184 31.355 4.146 1.00 1.98 C ATOM 233 OD1 ASP A 95 27.696 32.236 4.836 1.00 2.32 O ATOM 234 OD2 ASP A 95 29.371 31.077 4.136 1.00 3.10 O ATOM 0 H ASP A 95 26.179 29.047 5.070 1.00 0.59 H new ATOM 0 HA ASP A 95 25.558 31.727 3.920 1.00 0.54 H new ATOM 0 HB2 ASP A 95 27.548 29.504 3.227 1.00 0.81 H new ATOM 0 HB3 ASP A 95 27.320 30.915 2.214 1.00 0.81 H new ATOM 239 N GLY A 96 23.941 29.265 3.068 1.00 0.07 N ATOM 240 CA GLY A 96 22.960 28.703 2.083 1.00 0.43 C ATOM 241 C GLY A 96 23.659 28.422 0.754 1.00 0.33 C ATOM 242 O GLY A 96 23.304 28.977 -0.267 1.00 0.46 O ATOM 0 H GLY A 96 23.830 28.927 4.024 1.00 0.07 H new ATOM 0 HA2 GLY A 96 22.523 27.785 2.475 1.00 0.43 H new ATOM 0 HA3 GLY A 96 22.141 29.406 1.931 1.00 0.43 H new ATOM 246 N ASN A 97 24.670 27.586 0.767 1.00 0.12 N ATOM 247 CA ASN A 97 25.428 27.286 -0.488 1.00 0.10 C ATOM 248 C ASN A 97 25.390 25.792 -0.805 1.00 0.15 C ATOM 249 O ASN A 97 24.664 25.354 -1.675 1.00 0.38 O ATOM 250 CB ASN A 97 26.882 27.724 -0.308 1.00 0.17 C ATOM 251 CG ASN A 97 27.673 27.404 -1.576 1.00 0.30 C ATOM 252 OD1 ASN A 97 28.377 26.415 -1.634 1.00 1.31 O ATOM 253 ND2 ASN A 97 27.589 28.206 -2.601 1.00 0.76 N ATOM 0 H ASN A 97 25.004 27.097 1.597 1.00 0.12 H new ATOM 0 HA ASN A 97 24.966 27.827 -1.313 1.00 0.10 H new ATOM 0 HB2 ASN A 97 26.927 28.793 -0.099 1.00 0.17 H new ATOM 0 HB3 ASN A 97 27.324 27.213 0.547 1.00 0.17 H new ATOM 0 HD21 ASN A 97 28.114 28.003 -3.452 1.00 0.76 H new ATOM 0 HD22 ASN A 97 26.998 29.036 -2.552 1.00 0.76 H new ATOM 260 N GLY A 98 26.155 25.001 -0.108 1.00 0.08 N ATOM 261 CA GLY A 98 26.113 23.538 -0.408 1.00 0.11 C ATOM 262 C GLY A 98 27.060 22.696 0.466 1.00 0.11 C ATOM 263 O GLY A 98 26.943 21.488 0.483 1.00 0.23 O ATOM 0 H GLY A 98 26.791 25.289 0.636 1.00 0.08 H new ATOM 0 HA2 GLY A 98 25.093 23.178 -0.273 1.00 0.11 H new ATOM 0 HA3 GLY A 98 26.369 23.384 -1.456 1.00 0.11 H new ATOM 267 N TYR A 99 27.999 23.285 1.165 1.00 0.14 N ATOM 268 CA TYR A 99 28.949 22.468 2.000 1.00 0.18 C ATOM 269 C TYR A 99 28.878 22.850 3.489 1.00 0.19 C ATOM 270 O TYR A 99 28.826 24.009 3.850 1.00 0.18 O ATOM 271 CB TYR A 99 30.376 22.722 1.506 1.00 0.15 C ATOM 272 CG TYR A 99 30.506 22.285 0.065 1.00 0.15 C ATOM 273 CD1 TYR A 99 30.016 23.102 -0.963 1.00 0.78 C ATOM 274 CD2 TYR A 99 31.122 21.066 -0.244 1.00 0.81 C ATOM 275 CE1 TYR A 99 30.144 22.698 -2.298 1.00 0.80 C ATOM 276 CE2 TYR A 99 31.248 20.664 -1.578 1.00 0.80 C ATOM 277 CZ TYR A 99 30.759 21.479 -2.605 1.00 0.18 C ATOM 278 OH TYR A 99 30.887 21.082 -3.920 1.00 0.21 O ATOM 0 H TYR A 99 28.153 24.293 1.197 1.00 0.14 H new ATOM 0 HA TYR A 99 28.670 21.419 1.901 1.00 0.18 H new ATOM 0 HB2 TYR A 99 30.619 23.781 1.598 1.00 0.15 H new ATOM 0 HB3 TYR A 99 31.087 22.177 2.126 1.00 0.15 H new ATOM 0 HD1 TYR A 99 29.540 24.042 -0.726 1.00 0.78 H new ATOM 0 HD2 TYR A 99 31.500 20.436 0.548 1.00 0.81 H new ATOM 0 HE1 TYR A 99 29.768 23.328 -3.091 1.00 0.80 H new ATOM 0 HE2 TYR A 99 31.723 19.724 -1.815 1.00 0.80 H new ATOM 0 HH TYR A 99 31.338 20.213 -3.957 1.00 0.21 H new ATOM 288 N ILE A 100 28.955 21.860 4.351 1.00 0.20 N ATOM 289 CA ILE A 100 28.982 22.100 5.831 1.00 0.21 C ATOM 290 C ILE A 100 30.045 21.151 6.382 1.00 0.19 C ATOM 291 O ILE A 100 30.483 20.250 5.693 1.00 0.18 O ATOM 292 CB ILE A 100 27.610 21.847 6.501 1.00 0.23 C ATOM 293 CG1 ILE A 100 27.206 20.368 6.380 1.00 0.26 C ATOM 294 CG2 ILE A 100 26.558 22.723 5.817 1.00 0.17 C ATOM 295 CD1 ILE A 100 25.898 20.107 7.143 1.00 0.31 C ATOM 0 H ILE A 100 29.001 20.877 4.084 1.00 0.20 H new ATOM 0 HA ILE A 100 29.213 23.144 6.045 1.00 0.21 H new ATOM 0 HB ILE A 100 27.680 22.096 7.560 1.00 0.23 H new ATOM 0 HG12 ILE A 100 27.081 20.103 5.330 1.00 0.26 H new ATOM 0 HG13 ILE A 100 27.999 19.734 6.777 1.00 0.26 H new ATOM 0 HG21 ILE A 100 25.586 22.554 6.281 1.00 0.17 H new ATOM 0 HG22 ILE A 100 26.833 23.772 5.924 1.00 0.17 H new ATOM 0 HG23 ILE A 100 26.504 22.468 4.759 1.00 0.17 H new ATOM 0 HD11 ILE A 100 25.625 19.056 7.048 1.00 0.31 H new ATOM 0 HD12 ILE A 100 26.036 20.352 8.196 1.00 0.31 H new ATOM 0 HD13 ILE A 100 25.104 20.727 6.727 1.00 0.31 H new ATOM 307 N SER A 101 30.475 21.323 7.592 1.00 0.21 N ATOM 308 CA SER A 101 31.520 20.400 8.123 1.00 0.19 C ATOM 309 C SER A 101 30.912 19.033 8.463 1.00 0.15 C ATOM 310 O SER A 101 29.780 18.913 8.875 1.00 0.14 O ATOM 311 CB SER A 101 32.178 21.003 9.359 1.00 0.20 C ATOM 312 OG SER A 101 31.219 21.110 10.400 1.00 0.17 O ATOM 0 H SER A 101 30.158 22.050 8.234 1.00 0.21 H new ATOM 0 HA SER A 101 32.278 20.260 7.352 1.00 0.19 H new ATOM 0 HB2 SER A 101 33.012 20.380 9.681 1.00 0.20 H new ATOM 0 HB3 SER A 101 32.587 21.986 9.124 1.00 0.20 H new ATOM 0 HG SER A 101 31.641 21.496 11.196 1.00 0.17 H new ATOM 318 N ALA A 102 31.672 18.002 8.251 1.00 0.11 N ATOM 319 CA ALA A 102 31.164 16.620 8.519 1.00 0.07 C ATOM 320 C ALA A 102 30.600 16.488 9.932 1.00 0.04 C ATOM 321 O ALA A 102 29.607 15.820 10.141 1.00 0.03 O ATOM 322 CB ALA A 102 32.306 15.630 8.362 1.00 0.04 C ATOM 0 H ALA A 102 32.629 18.050 7.902 1.00 0.11 H new ATOM 0 HA ALA A 102 30.365 16.415 7.807 1.00 0.07 H new ATOM 0 HB1 ALA A 102 31.942 14.621 8.556 1.00 0.04 H new ATOM 0 HB2 ALA A 102 32.698 15.685 7.347 1.00 0.04 H new ATOM 0 HB3 ALA A 102 33.098 15.873 9.071 1.00 0.04 H new ATOM 328 N ALA A 103 31.191 17.111 10.904 1.00 0.06 N ATOM 329 CA ALA A 103 30.616 16.982 12.272 1.00 0.06 C ATOM 330 C ALA A 103 29.237 17.614 12.239 1.00 0.04 C ATOM 331 O ALA A 103 28.289 17.101 12.798 1.00 0.07 O ATOM 332 CB ALA A 103 31.502 17.712 13.283 1.00 0.12 C ATOM 0 H ALA A 103 32.026 17.691 10.821 1.00 0.06 H new ATOM 0 HA ALA A 103 30.556 15.935 12.570 1.00 0.06 H new ATOM 0 HB1 ALA A 103 31.074 17.612 14.280 1.00 0.12 H new ATOM 0 HB2 ALA A 103 32.501 17.277 13.272 1.00 0.12 H new ATOM 0 HB3 ALA A 103 31.563 18.768 13.018 1.00 0.12 H new ATOM 338 N GLU A 104 29.112 18.725 11.561 1.00 0.04 N ATOM 339 CA GLU A 104 27.790 19.378 11.470 1.00 0.05 C ATOM 340 C GLU A 104 26.814 18.415 10.777 1.00 0.05 C ATOM 341 O GLU A 104 25.691 18.241 11.203 1.00 0.17 O ATOM 342 CB GLU A 104 27.880 20.686 10.680 1.00 0.08 C ATOM 343 CG GLU A 104 28.579 21.765 11.518 1.00 0.66 C ATOM 344 CD GLU A 104 27.663 22.258 12.644 1.00 0.61 C ATOM 345 OE1 GLU A 104 27.539 21.560 13.636 1.00 0.81 O ATOM 346 OE2 GLU A 104 27.117 23.339 12.502 1.00 0.43 O ATOM 0 H GLU A 104 29.870 19.200 11.071 1.00 0.04 H new ATOM 0 HA GLU A 104 27.437 19.616 12.474 1.00 0.05 H new ATOM 0 HB2 GLU A 104 28.430 20.522 9.753 1.00 0.08 H new ATOM 0 HB3 GLU A 104 26.881 21.021 10.403 1.00 0.08 H new ATOM 0 HG2 GLU A 104 29.500 21.363 11.942 1.00 0.66 H new ATOM 0 HG3 GLU A 104 28.861 22.602 10.879 1.00 0.66 H new ATOM 353 N LEU A 105 27.251 17.771 9.723 1.00 0.07 N ATOM 354 CA LEU A 105 26.392 16.792 8.978 1.00 0.04 C ATOM 355 C LEU A 105 25.981 15.658 9.909 1.00 0.05 C ATOM 356 O LEU A 105 24.821 15.307 9.995 1.00 0.04 O ATOM 357 CB LEU A 105 27.236 16.249 7.804 1.00 0.02 C ATOM 358 CG LEU A 105 26.451 15.089 7.022 1.00 0.03 C ATOM 359 CD1 LEU A 105 26.183 15.282 5.482 1.00 0.13 C ATOM 360 CD2 LEU A 105 27.217 13.778 7.170 1.00 0.16 C ATOM 0 H LEU A 105 28.189 17.884 9.337 1.00 0.07 H new ATOM 0 HA LEU A 105 25.484 17.266 8.606 1.00 0.04 H new ATOM 0 HB2 LEU A 105 27.473 17.060 7.116 1.00 0.02 H new ATOM 0 HB3 LEU A 105 28.183 15.863 8.180 1.00 0.02 H new ATOM 0 HG LEU A 105 25.468 15.105 7.493 1.00 0.03 H new ATOM 0 HD11 LEU A 105 25.644 14.417 5.095 1.00 0.13 H new ATOM 0 HD12 LEU A 105 25.586 16.181 5.326 1.00 0.13 H new ATOM 0 HD13 LEU A 105 27.133 15.382 4.957 1.00 0.13 H new ATOM 0 HD21 LEU A 105 26.688 12.986 6.640 1.00 0.16 H new ATOM 0 HD22 LEU A 105 28.216 13.891 6.750 1.00 0.16 H new ATOM 0 HD23 LEU A 105 27.295 13.519 8.226 1.00 0.16 H new ATOM 372 N ARG A 106 26.910 15.083 10.616 1.00 0.09 N ATOM 373 CA ARG A 106 26.547 13.981 11.543 1.00 0.13 C ATOM 374 C ARG A 106 25.543 14.541 12.544 1.00 0.12 C ATOM 375 O ARG A 106 24.641 13.864 12.973 1.00 0.11 O ATOM 376 CB ARG A 106 27.794 13.473 12.284 1.00 0.23 C ATOM 377 CG ARG A 106 28.620 12.543 11.385 1.00 1.61 C ATOM 378 CD ARG A 106 29.654 11.804 12.242 1.00 1.56 C ATOM 379 NE ARG A 106 30.154 12.715 13.308 1.00 2.66 N ATOM 380 CZ ARG A 106 30.798 12.230 14.334 1.00 2.57 C ATOM 381 NH1 ARG A 106 31.005 10.944 14.430 1.00 3.52 N ATOM 382 NH2 ARG A 106 31.232 13.032 15.265 1.00 2.04 N ATOM 0 H ARG A 106 27.900 15.327 10.592 1.00 0.09 H new ATOM 0 HA ARG A 106 26.120 13.144 10.990 1.00 0.13 H new ATOM 0 HB2 ARG A 106 28.405 14.319 12.599 1.00 0.23 H new ATOM 0 HB3 ARG A 106 27.495 12.942 13.187 1.00 0.23 H new ATOM 0 HG2 ARG A 106 27.968 11.828 10.883 1.00 1.61 H new ATOM 0 HG3 ARG A 106 29.120 13.119 10.606 1.00 1.61 H new ATOM 0 HD2 ARG A 106 29.205 10.916 12.688 1.00 1.56 H new ATOM 0 HD3 ARG A 106 30.482 11.465 11.620 1.00 1.56 H new ATOM 0 HE ARG A 106 29.993 13.720 13.236 1.00 2.66 H new ATOM 0 HH11 ARG A 106 30.663 10.317 13.702 1.00 3.52 H new ATOM 0 HH12 ARG A 106 31.509 10.567 15.233 1.00 3.52 H new ATOM 0 HH21 ARG A 106 31.068 14.036 15.191 1.00 2.04 H new ATOM 0 HH22 ARG A 106 31.736 12.656 16.068 1.00 2.04 H new ATOM 396 N HIS A 107 25.706 15.779 12.911 1.00 0.12 N ATOM 397 CA HIS A 107 24.774 16.402 13.895 1.00 0.15 C ATOM 398 C HIS A 107 23.398 16.629 13.268 1.00 0.12 C ATOM 399 O HIS A 107 22.385 16.361 13.882 1.00 0.16 O ATOM 400 CB HIS A 107 25.370 17.736 14.355 1.00 0.18 C ATOM 401 CG HIS A 107 24.747 18.148 15.655 1.00 0.23 C ATOM 402 ND1 HIS A 107 24.738 17.327 16.772 1.00 0.49 N ATOM 403 CD2 HIS A 107 24.111 19.294 16.025 1.00 0.28 C ATOM 404 CE1 HIS A 107 24.110 17.996 17.757 1.00 0.45 C ATOM 405 NE2 HIS A 107 23.706 19.204 17.354 1.00 0.26 N ATOM 0 H HIS A 107 26.448 16.391 12.571 1.00 0.12 H new ATOM 0 HA HIS A 107 24.648 15.735 14.748 1.00 0.15 H new ATOM 0 HB2 HIS A 107 26.450 17.642 14.472 1.00 0.18 H new ATOM 0 HB3 HIS A 107 25.197 18.502 13.599 1.00 0.18 H new ATOM 0 HD2 HIS A 107 23.945 20.146 15.383 1.00 0.28 H new ATOM 0 HE1 HIS A 107 23.952 17.604 18.751 1.00 0.45 H new ATOM 0 HE2 HIS A 107 23.209 19.907 17.901 1.00 0.26 H new ATOM 413 N VAL A 108 23.337 17.114 12.053 1.00 0.08 N ATOM 414 CA VAL A 108 22.011 17.335 11.424 1.00 0.09 C ATOM 415 C VAL A 108 21.278 15.993 11.361 1.00 0.09 C ATOM 416 O VAL A 108 20.089 15.900 11.605 1.00 0.10 O ATOM 417 CB VAL A 108 22.198 17.845 9.984 1.00 0.09 C ATOM 418 CG1 VAL A 108 20.836 18.293 9.416 1.00 0.10 C ATOM 419 CG2 VAL A 108 23.187 19.027 9.968 1.00 0.09 C ATOM 0 H VAL A 108 24.143 17.363 11.479 1.00 0.08 H new ATOM 0 HA VAL A 108 21.448 18.065 12.005 1.00 0.09 H new ATOM 0 HB VAL A 108 22.600 17.041 9.367 1.00 0.09 H new ATOM 0 HG11 VAL A 108 20.968 18.654 8.396 1.00 0.10 H new ATOM 0 HG12 VAL A 108 20.147 17.449 9.415 1.00 0.10 H new ATOM 0 HG13 VAL A 108 20.429 19.093 10.034 1.00 0.10 H new ATOM 0 HG21 VAL A 108 23.314 19.382 8.945 1.00 0.09 H new ATOM 0 HG22 VAL A 108 22.798 19.835 10.587 1.00 0.09 H new ATOM 0 HG23 VAL A 108 24.150 18.701 10.361 1.00 0.09 H new ATOM 429 N MET A 109 21.992 14.956 10.985 1.00 0.09 N ATOM 430 CA MET A 109 21.367 13.612 10.843 1.00 0.10 C ATOM 431 C MET A 109 20.891 13.060 12.198 1.00 0.09 C ATOM 432 O MET A 109 19.941 12.307 12.264 1.00 0.10 O ATOM 433 CB MET A 109 22.383 12.644 10.221 1.00 0.10 C ATOM 434 CG MET A 109 22.760 13.136 8.825 1.00 0.10 C ATOM 435 SD MET A 109 24.209 12.228 8.232 1.00 0.12 S ATOM 436 CE MET A 109 23.334 10.784 7.578 1.00 0.08 C ATOM 0 H MET A 109 22.989 14.990 10.770 1.00 0.09 H new ATOM 0 HA MET A 109 20.494 13.710 10.198 1.00 0.10 H new ATOM 0 HB2 MET A 109 23.272 12.579 10.849 1.00 0.10 H new ATOM 0 HB3 MET A 109 21.959 11.641 10.164 1.00 0.10 H new ATOM 0 HG2 MET A 109 21.924 12.994 8.140 1.00 0.10 H new ATOM 0 HG3 MET A 109 22.973 14.205 8.850 1.00 0.10 H new ATOM 0 HE1 MET A 109 23.969 9.902 7.668 1.00 0.08 H new ATOM 0 HE2 MET A 109 22.415 10.629 8.143 1.00 0.08 H new ATOM 0 HE3 MET A 109 23.091 10.950 6.529 1.00 0.08 H new ATOM 446 N THR A 110 21.558 13.394 13.279 1.00 0.08 N ATOM 447 CA THR A 110 21.151 12.848 14.606 1.00 0.10 C ATOM 448 C THR A 110 19.956 13.649 15.170 1.00 0.15 C ATOM 449 O THR A 110 19.192 13.141 15.968 1.00 0.16 O ATOM 450 CB THR A 110 22.380 12.912 15.550 1.00 0.15 C ATOM 451 OG1 THR A 110 23.468 13.465 14.843 1.00 0.15 O ATOM 452 CG2 THR A 110 22.774 11.505 16.042 1.00 0.18 C ATOM 0 H THR A 110 22.364 14.019 13.296 1.00 0.08 H new ATOM 0 HA THR A 110 20.824 11.812 14.512 1.00 0.10 H new ATOM 0 HB THR A 110 22.124 13.526 16.414 1.00 0.15 H new ATOM 0 HG1 THR A 110 23.765 12.834 14.155 1.00 0.15 H new ATOM 0 HG21 THR A 110 23.638 11.579 16.702 1.00 0.18 H new ATOM 0 HG22 THR A 110 21.939 11.063 16.586 1.00 0.18 H new ATOM 0 HG23 THR A 110 23.023 10.877 15.187 1.00 0.18 H new ATOM 460 N ASN A 111 19.786 14.888 14.775 1.00 0.21 N ATOM 461 CA ASN A 111 18.639 15.700 15.303 1.00 0.29 C ATOM 462 C ASN A 111 17.349 15.342 14.550 1.00 0.30 C ATOM 463 O ASN A 111 16.270 15.360 15.109 1.00 0.35 O ATOM 464 CB ASN A 111 18.939 17.190 15.123 1.00 0.35 C ATOM 465 CG ASN A 111 17.896 18.014 15.880 1.00 0.46 C ATOM 466 OD1 ASN A 111 17.664 17.793 17.052 1.00 1.12 O ATOM 467 ND2 ASN A 111 17.247 18.958 15.253 1.00 0.78 N ATOM 0 H ASN A 111 20.390 15.373 14.111 1.00 0.21 H new ATOM 0 HA ASN A 111 18.506 15.480 16.362 1.00 0.29 H new ATOM 0 HB2 ASN A 111 19.938 17.418 15.494 1.00 0.35 H new ATOM 0 HB3 ASN A 111 18.925 17.450 14.064 1.00 0.35 H new ATOM 0 HD21 ASN A 111 16.546 19.510 15.747 1.00 0.78 H new ATOM 0 HD22 ASN A 111 17.442 19.144 14.269 1.00 0.78 H new ATOM 474 N LEU A 112 17.448 15.051 13.293 1.00 0.28 N ATOM 475 CA LEU A 112 16.227 14.723 12.482 1.00 0.32 C ATOM 476 C LEU A 112 15.507 13.487 13.031 1.00 0.36 C ATOM 477 O LEU A 112 14.457 13.101 12.558 1.00 0.43 O ATOM 478 CB LEU A 112 16.672 14.453 11.036 1.00 0.30 C ATOM 479 CG LEU A 112 16.872 15.787 10.280 1.00 0.29 C ATOM 480 CD1 LEU A 112 17.867 15.593 9.129 1.00 0.22 C ATOM 481 CD2 LEU A 112 15.538 16.277 9.703 1.00 0.45 C ATOM 0 H LEU A 112 18.326 15.023 12.775 1.00 0.28 H new ATOM 0 HA LEU A 112 15.533 15.562 12.529 1.00 0.32 H new ATOM 0 HB2 LEU A 112 17.601 13.883 11.034 1.00 0.30 H new ATOM 0 HB3 LEU A 112 15.925 13.846 10.525 1.00 0.30 H new ATOM 0 HG LEU A 112 17.258 16.525 10.983 1.00 0.29 H new ATOM 0 HD11 LEU A 112 18.002 16.537 8.602 1.00 0.22 H new ATOM 0 HD12 LEU A 112 18.825 15.260 9.528 1.00 0.22 H new ATOM 0 HD13 LEU A 112 17.482 14.843 8.438 1.00 0.22 H new ATOM 0 HD21 LEU A 112 15.694 17.217 9.174 1.00 0.45 H new ATOM 0 HD22 LEU A 112 15.145 15.532 9.011 1.00 0.45 H new ATOM 0 HD23 LEU A 112 14.826 16.431 10.514 1.00 0.45 H new ATOM 493 N GLY A 113 16.030 12.916 14.056 1.00 0.35 N ATOM 494 CA GLY A 113 15.327 11.751 14.672 1.00 0.41 C ATOM 495 C GLY A 113 15.529 10.487 13.847 1.00 0.25 C ATOM 496 O GLY A 113 14.756 9.555 13.944 1.00 0.23 O ATOM 0 H GLY A 113 16.905 13.191 14.502 1.00 0.35 H new ATOM 0 HA2 GLY A 113 15.700 11.591 15.684 1.00 0.41 H new ATOM 0 HA3 GLY A 113 14.262 11.968 14.755 1.00 0.41 H new ATOM 500 N GLU A 114 16.522 10.438 13.024 1.00 0.23 N ATOM 501 CA GLU A 114 16.727 9.233 12.184 1.00 0.16 C ATOM 502 C GLU A 114 17.326 8.142 13.078 1.00 0.17 C ATOM 503 O GLU A 114 18.154 8.413 13.927 1.00 0.30 O ATOM 504 CB GLU A 114 17.753 9.576 11.090 1.00 0.31 C ATOM 505 CG GLU A 114 17.108 10.479 10.030 1.00 0.32 C ATOM 506 CD GLU A 114 16.097 9.671 9.213 1.00 1.29 C ATOM 507 OE1 GLU A 114 16.205 8.456 9.208 1.00 2.29 O ATOM 508 OE2 GLU A 114 15.232 10.282 8.606 1.00 1.69 O ATOM 0 H GLU A 114 17.207 11.182 12.892 1.00 0.23 H new ATOM 0 HA GLU A 114 15.789 8.903 11.737 1.00 0.16 H new ATOM 0 HB2 GLU A 114 18.614 10.078 11.532 1.00 0.31 H new ATOM 0 HB3 GLU A 114 18.121 8.661 10.625 1.00 0.31 H new ATOM 0 HG2 GLU A 114 16.612 11.323 10.510 1.00 0.32 H new ATOM 0 HG3 GLU A 114 17.875 10.891 9.374 1.00 0.32 H new ATOM 515 N LYS A 115 16.891 6.901 12.912 1.00 0.05 N ATOM 516 CA LYS A 115 17.407 5.794 13.768 1.00 0.07 C ATOM 517 C LYS A 115 18.429 4.996 12.994 1.00 0.16 C ATOM 518 O LYS A 115 18.353 3.790 12.864 1.00 0.16 O ATOM 519 CB LYS A 115 16.280 4.889 14.245 1.00 0.13 C ATOM 520 CG LYS A 115 15.239 5.702 15.047 1.00 0.23 C ATOM 521 CD LYS A 115 14.127 6.207 14.116 1.00 0.62 C ATOM 522 CE LYS A 115 13.052 6.922 14.938 1.00 0.67 C ATOM 523 NZ LYS A 115 12.373 5.942 15.831 1.00 1.51 N ATOM 0 H LYS A 115 16.200 6.620 12.216 1.00 0.05 H new ATOM 0 HA LYS A 115 17.875 6.229 14.651 1.00 0.07 H new ATOM 0 HB2 LYS A 115 15.799 4.414 13.390 1.00 0.13 H new ATOM 0 HB3 LYS A 115 16.685 4.090 14.867 1.00 0.13 H new ATOM 0 HG2 LYS A 115 14.810 5.081 15.834 1.00 0.23 H new ATOM 0 HG3 LYS A 115 15.725 6.546 15.536 1.00 0.23 H new ATOM 0 HD2 LYS A 115 14.543 6.887 13.373 1.00 0.62 H new ATOM 0 HD3 LYS A 115 13.687 5.371 13.572 1.00 0.62 H new ATOM 0 HE2 LYS A 115 13.502 7.718 15.531 1.00 0.67 H new ATOM 0 HE3 LYS A 115 12.324 7.390 14.275 1.00 0.67 H new ATOM 0 HZ1 LYS A 115 11.445 6.316 16.114 1.00 1.51 H new ATOM 0 HZ2 LYS A 115 12.245 5.042 15.325 1.00 1.51 H new ATOM 0 HZ3 LYS A 115 12.955 5.783 16.678 1.00 1.51 H new ATOM 537 N LEU A 116 19.411 5.680 12.529 1.00 0.29 N ATOM 538 CA LEU A 116 20.524 5.046 11.799 1.00 0.43 C ATOM 539 C LEU A 116 21.633 4.941 12.870 1.00 0.31 C ATOM 540 O LEU A 116 21.778 5.810 13.707 1.00 0.48 O ATOM 541 CB LEU A 116 20.828 5.932 10.553 1.00 0.69 C ATOM 542 CG LEU A 116 22.280 6.312 10.487 1.00 2.59 C ATOM 543 CD1 LEU A 116 23.071 5.060 10.079 1.00 3.39 C ATOM 544 CD2 LEU A 116 22.484 7.451 9.451 1.00 3.77 C ATOM 0 H LEU A 116 19.495 6.692 12.626 1.00 0.29 H new ATOM 0 HA LEU A 116 20.356 4.052 11.384 1.00 0.43 H new ATOM 0 HB2 LEU A 116 20.550 5.394 9.647 1.00 0.69 H new ATOM 0 HB3 LEU A 116 20.216 6.834 10.589 1.00 0.69 H new ATOM 0 HG LEU A 116 22.628 6.676 11.454 1.00 2.59 H new ATOM 0 HD11 LEU A 116 24.132 5.303 10.022 1.00 3.39 H new ATOM 0 HD12 LEU A 116 22.918 4.275 10.820 1.00 3.39 H new ATOM 0 HD13 LEU A 116 22.725 4.712 9.105 1.00 3.39 H new ATOM 0 HD21 LEU A 116 23.539 7.720 9.410 1.00 3.77 H new ATOM 0 HD22 LEU A 116 22.157 7.112 8.468 1.00 3.77 H new ATOM 0 HD23 LEU A 116 21.899 8.322 9.747 1.00 3.77 H new ATOM 556 N THR A 117 22.370 3.859 12.885 1.00 0.28 N ATOM 557 CA THR A 117 23.416 3.677 13.947 1.00 0.13 C ATOM 558 C THR A 117 24.710 4.454 13.644 1.00 0.22 C ATOM 559 O THR A 117 24.959 4.872 12.536 1.00 0.25 O ATOM 560 CB THR A 117 23.743 2.186 14.070 1.00 0.09 C ATOM 561 OG1 THR A 117 24.051 1.665 12.785 1.00 0.18 O ATOM 562 CG2 THR A 117 22.538 1.441 14.650 1.00 0.30 C ATOM 0 H THR A 117 22.296 3.095 12.213 1.00 0.28 H new ATOM 0 HA THR A 117 23.011 4.071 14.879 1.00 0.13 H new ATOM 0 HB THR A 117 24.599 2.055 14.732 1.00 0.09 H new ATOM 0 HG1 THR A 117 24.262 0.711 12.861 1.00 0.18 H new ATOM 0 HG21 THR A 117 22.773 0.380 14.736 1.00 0.30 H new ATOM 0 HG22 THR A 117 22.302 1.842 15.636 1.00 0.30 H new ATOM 0 HG23 THR A 117 21.679 1.570 13.991 1.00 0.30 H new ATOM 570 N ASP A 118 25.530 4.651 14.651 1.00 0.30 N ATOM 571 CA ASP A 118 26.812 5.404 14.460 1.00 0.39 C ATOM 572 C ASP A 118 27.704 4.669 13.438 1.00 0.35 C ATOM 573 O ASP A 118 28.364 5.294 12.630 1.00 0.38 O ATOM 574 CB ASP A 118 27.545 5.520 15.803 1.00 0.47 C ATOM 575 CG ASP A 118 26.807 6.513 16.705 1.00 0.45 C ATOM 576 OD1 ASP A 118 25.981 7.251 16.194 1.00 1.60 O ATOM 577 OD2 ASP A 118 27.079 6.517 17.894 1.00 0.69 O ATOM 0 H ASP A 118 25.365 4.321 15.602 1.00 0.30 H new ATOM 0 HA ASP A 118 26.590 6.403 14.084 1.00 0.39 H new ATOM 0 HB2 ASP A 118 27.598 4.544 16.286 1.00 0.47 H new ATOM 0 HB3 ASP A 118 28.571 5.852 15.642 1.00 0.47 H new ATOM 582 N GLU A 119 27.762 3.354 13.479 1.00 0.29 N ATOM 583 CA GLU A 119 28.657 2.623 12.513 1.00 0.26 C ATOM 584 C GLU A 119 28.120 2.808 11.097 1.00 0.24 C ATOM 585 O GLU A 119 28.840 3.209 10.205 1.00 0.32 O ATOM 586 CB GLU A 119 28.735 1.122 12.854 1.00 0.24 C ATOM 587 CG GLU A 119 29.761 0.887 13.970 1.00 0.29 C ATOM 588 CD GLU A 119 29.823 -0.606 14.294 1.00 0.96 C ATOM 589 OE1 GLU A 119 28.982 -1.336 13.795 1.00 1.75 O ATOM 590 OE2 GLU A 119 30.711 -0.995 15.034 1.00 1.48 O ATOM 0 H GLU A 119 27.239 2.764 14.126 1.00 0.29 H new ATOM 0 HA GLU A 119 29.663 3.036 12.587 1.00 0.26 H new ATOM 0 HB2 GLU A 119 27.756 0.761 13.168 1.00 0.24 H new ATOM 0 HB3 GLU A 119 29.015 0.554 11.967 1.00 0.24 H new ATOM 0 HG2 GLU A 119 30.743 1.244 13.658 1.00 0.29 H new ATOM 0 HG3 GLU A 119 29.484 1.453 14.860 1.00 0.29 H new ATOM 597 N GLU A 120 26.865 2.536 10.873 1.00 0.22 N ATOM 598 CA GLU A 120 26.316 2.727 9.504 1.00 0.23 C ATOM 599 C GLU A 120 26.691 4.142 9.035 1.00 0.25 C ATOM 600 O GLU A 120 27.127 4.327 7.919 1.00 0.32 O ATOM 601 CB GLU A 120 24.795 2.534 9.530 1.00 0.23 C ATOM 602 CG GLU A 120 24.456 1.047 9.395 1.00 0.24 C ATOM 603 CD GLU A 120 22.938 0.866 9.416 1.00 0.35 C ATOM 604 OE1 GLU A 120 22.254 1.814 9.762 1.00 0.68 O ATOM 605 OE2 GLU A 120 22.486 -0.218 9.085 1.00 0.62 O ATOM 0 H GLU A 120 26.203 2.194 11.570 1.00 0.22 H new ATOM 0 HA GLU A 120 26.732 1.996 8.810 1.00 0.23 H new ATOM 0 HB2 GLU A 120 24.386 2.926 10.461 1.00 0.23 H new ATOM 0 HB3 GLU A 120 24.334 3.096 8.718 1.00 0.23 H new ATOM 0 HG2 GLU A 120 24.867 0.652 8.466 1.00 0.24 H new ATOM 0 HG3 GLU A 120 24.911 0.484 10.210 1.00 0.24 H new ATOM 612 N VAL A 121 26.578 5.141 9.887 1.00 0.19 N ATOM 613 CA VAL A 121 26.991 6.513 9.454 1.00 0.19 C ATOM 614 C VAL A 121 28.473 6.453 9.080 1.00 0.20 C ATOM 615 O VAL A 121 28.886 6.973 8.062 1.00 0.23 O ATOM 616 CB VAL A 121 26.797 7.560 10.581 1.00 0.18 C ATOM 617 CG1 VAL A 121 27.698 8.781 10.345 1.00 0.44 C ATOM 618 CG2 VAL A 121 25.358 8.054 10.590 1.00 0.44 C ATOM 0 H VAL A 121 26.226 5.066 10.841 1.00 0.19 H new ATOM 0 HA VAL A 121 26.371 6.819 8.611 1.00 0.19 H new ATOM 0 HB VAL A 121 27.050 7.080 11.526 1.00 0.18 H new ATOM 0 HG11 VAL A 121 27.548 9.504 11.146 1.00 0.44 H new ATOM 0 HG12 VAL A 121 28.741 8.466 10.332 1.00 0.44 H new ATOM 0 HG13 VAL A 121 27.445 9.240 9.389 1.00 0.44 H new ATOM 0 HG21 VAL A 121 25.231 8.789 11.385 1.00 0.44 H new ATOM 0 HG22 VAL A 121 25.125 8.514 9.630 1.00 0.44 H new ATOM 0 HG23 VAL A 121 24.686 7.213 10.762 1.00 0.44 H new ATOM 628 N ASP A 122 29.279 5.836 9.897 1.00 0.18 N ATOM 629 CA ASP A 122 30.730 5.754 9.596 1.00 0.18 C ATOM 630 C ASP A 122 30.930 5.054 8.242 1.00 0.19 C ATOM 631 O ASP A 122 31.744 5.460 7.439 1.00 0.22 O ATOM 632 CB ASP A 122 31.450 4.962 10.699 1.00 0.21 C ATOM 633 CG ASP A 122 31.488 5.788 11.988 1.00 0.33 C ATOM 634 OD1 ASP A 122 31.340 6.996 11.903 1.00 1.29 O ATOM 635 OD2 ASP A 122 31.668 5.196 13.040 1.00 0.80 O ATOM 0 H ASP A 122 28.991 5.383 10.764 1.00 0.18 H new ATOM 0 HA ASP A 122 31.147 6.760 9.552 1.00 0.18 H new ATOM 0 HB2 ASP A 122 30.936 4.017 10.876 1.00 0.21 H new ATOM 0 HB3 ASP A 122 32.464 4.718 10.382 1.00 0.21 H new ATOM 640 N GLU A 123 30.162 4.025 7.968 1.00 0.18 N ATOM 641 CA GLU A 123 30.274 3.326 6.649 1.00 0.19 C ATOM 642 C GLU A 123 29.849 4.320 5.557 1.00 0.17 C ATOM 643 O GLU A 123 30.461 4.398 4.509 1.00 0.18 O ATOM 644 CB GLU A 123 29.335 2.101 6.634 1.00 0.20 C ATOM 645 CG GLU A 123 30.068 0.863 7.172 1.00 1.72 C ATOM 646 CD GLU A 123 29.071 -0.285 7.341 1.00 2.29 C ATOM 647 OE1 GLU A 123 27.951 -0.145 6.878 1.00 3.19 O ATOM 648 OE2 GLU A 123 29.445 -1.286 7.931 1.00 2.51 O ATOM 0 H GLU A 123 29.462 3.640 8.602 1.00 0.18 H new ATOM 0 HA GLU A 123 31.295 2.985 6.478 1.00 0.19 H new ATOM 0 HB2 GLU A 123 28.453 2.303 7.242 1.00 0.20 H new ATOM 0 HB3 GLU A 123 28.987 1.913 5.618 1.00 0.20 H new ATOM 0 HG2 GLU A 123 30.863 0.571 6.486 1.00 1.72 H new ATOM 0 HG3 GLU A 123 30.540 1.093 8.127 1.00 1.72 H new ATOM 655 N MET A 124 28.820 5.092 5.793 1.00 0.14 N ATOM 656 CA MET A 124 28.388 6.087 4.766 1.00 0.12 C ATOM 657 C MET A 124 29.441 7.184 4.652 1.00 0.09 C ATOM 658 O MET A 124 29.618 7.788 3.614 1.00 0.09 O ATOM 659 CB MET A 124 27.045 6.687 5.154 1.00 0.11 C ATOM 660 CG MET A 124 25.984 5.585 5.213 1.00 0.17 C ATOM 661 SD MET A 124 24.512 6.222 6.051 1.00 1.63 S ATOM 662 CE MET A 124 23.465 4.766 5.820 1.00 1.81 C ATOM 0 H MET A 124 28.263 5.077 6.647 1.00 0.14 H new ATOM 0 HA MET A 124 28.280 5.590 3.802 1.00 0.12 H new ATOM 0 HB2 MET A 124 27.123 7.182 6.122 1.00 0.11 H new ATOM 0 HB3 MET A 124 26.753 7.448 4.430 1.00 0.11 H new ATOM 0 HG2 MET A 124 25.730 5.254 4.206 1.00 0.17 H new ATOM 0 HG3 MET A 124 26.373 4.717 5.745 1.00 0.17 H new ATOM 0 HE1 MET A 124 22.489 4.945 6.270 1.00 1.81 H new ATOM 0 HE2 MET A 124 23.343 4.571 4.755 1.00 1.81 H new ATOM 0 HE3 MET A 124 23.931 3.903 6.296 1.00 1.81 H new ATOM 672 N ILE A 125 30.147 7.439 5.717 1.00 0.09 N ATOM 673 CA ILE A 125 31.198 8.488 5.671 1.00 0.07 C ATOM 674 C ILE A 125 32.440 7.972 4.927 1.00 0.08 C ATOM 675 O ILE A 125 33.038 8.680 4.140 1.00 0.08 O ATOM 676 CB ILE A 125 31.569 8.902 7.106 1.00 0.07 C ATOM 677 CG1 ILE A 125 30.446 9.782 7.681 1.00 0.06 C ATOM 678 CG2 ILE A 125 32.901 9.678 7.116 1.00 0.09 C ATOM 679 CD1 ILE A 125 30.665 9.992 9.182 1.00 0.07 C ATOM 0 H ILE A 125 30.041 6.967 6.615 1.00 0.09 H new ATOM 0 HA ILE A 125 30.815 9.355 5.133 1.00 0.07 H new ATOM 0 HB ILE A 125 31.688 8.008 7.718 1.00 0.07 H new ATOM 0 HG12 ILE A 125 30.428 10.744 7.169 1.00 0.06 H new ATOM 0 HG13 ILE A 125 29.478 9.311 7.508 1.00 0.06 H new ATOM 0 HG21 ILE A 125 33.148 9.963 8.139 1.00 0.09 H new ATOM 0 HG22 ILE A 125 33.693 9.046 6.714 1.00 0.09 H new ATOM 0 HG23 ILE A 125 32.805 10.574 6.503 1.00 0.09 H new ATOM 0 HD11 ILE A 125 29.866 10.616 9.582 1.00 0.07 H new ATOM 0 HD12 ILE A 125 30.660 9.027 9.689 1.00 0.07 H new ATOM 0 HD13 ILE A 125 31.625 10.483 9.345 1.00 0.07 H new ATOM 691 N ARG A 126 32.847 6.758 5.182 1.00 0.13 N ATOM 692 CA ARG A 126 34.066 6.229 4.499 1.00 0.15 C ATOM 693 C ARG A 126 33.818 6.172 2.993 1.00 0.10 C ATOM 694 O ARG A 126 34.717 6.408 2.211 1.00 0.09 O ATOM 695 CB ARG A 126 34.397 4.825 5.033 1.00 0.22 C ATOM 696 CG ARG A 126 35.195 4.933 6.337 1.00 0.47 C ATOM 697 CD ARG A 126 35.546 3.530 6.831 1.00 0.81 C ATOM 698 NE ARG A 126 34.292 2.765 7.071 1.00 1.67 N ATOM 699 CZ ARG A 126 34.335 1.468 7.203 1.00 2.87 C ATOM 700 NH1 ARG A 126 35.480 0.845 7.154 1.00 4.42 N ATOM 701 NH2 ARG A 126 33.234 0.795 7.388 1.00 3.16 N ATOM 0 H ARG A 126 32.393 6.113 5.828 1.00 0.13 H new ATOM 0 HA ARG A 126 34.910 6.888 4.700 1.00 0.15 H new ATOM 0 HB2 ARG A 126 33.477 4.267 5.206 1.00 0.22 H new ATOM 0 HB3 ARG A 126 34.971 4.271 4.291 1.00 0.22 H new ATOM 0 HG2 ARG A 126 36.104 5.512 6.174 1.00 0.47 H new ATOM 0 HG3 ARG A 126 34.612 5.461 7.091 1.00 0.47 H new ATOM 0 HD2 ARG A 126 36.163 3.016 6.094 1.00 0.81 H new ATOM 0 HD3 ARG A 126 36.130 3.591 7.749 1.00 0.81 H new ATOM 0 HE ARG A 126 33.399 3.255 7.132 1.00 1.67 H new ATOM 0 HH11 ARG A 126 36.342 1.372 7.012 1.00 4.42 H new ATOM 0 HH12 ARG A 126 35.514 -0.169 7.257 1.00 4.42 H new ATOM 0 HH21 ARG A 126 32.339 1.283 7.429 1.00 3.16 H new ATOM 0 HH22 ARG A 126 33.267 -0.219 7.491 1.00 3.16 H new ATOM 715 N GLU A 127 32.623 5.853 2.555 1.00 0.11 N ATOM 716 CA GLU A 127 32.366 5.781 1.091 1.00 0.09 C ATOM 717 C GLU A 127 32.213 7.223 0.549 1.00 0.09 C ATOM 718 O GLU A 127 32.452 7.479 -0.615 1.00 0.12 O ATOM 719 CB GLU A 127 31.080 4.966 0.821 1.00 0.16 C ATOM 720 CG GLU A 127 31.405 3.468 0.816 1.00 0.26 C ATOM 721 CD GLU A 127 32.215 3.122 -0.435 1.00 0.81 C ATOM 722 OE1 GLU A 127 32.164 3.890 -1.382 1.00 0.98 O ATOM 723 OE2 GLU A 127 32.875 2.096 -0.424 1.00 1.95 O ATOM 0 H GLU A 127 31.821 5.641 3.149 1.00 0.11 H new ATOM 0 HA GLU A 127 33.196 5.285 0.588 1.00 0.09 H new ATOM 0 HB2 GLU A 127 30.334 5.183 1.586 1.00 0.16 H new ATOM 0 HB3 GLU A 127 30.649 5.257 -0.137 1.00 0.16 H new ATOM 0 HG2 GLU A 127 31.969 3.205 1.711 1.00 0.26 H new ATOM 0 HG3 GLU A 127 30.484 2.886 0.837 1.00 0.26 H new ATOM 730 N ALA A 128 31.882 8.173 1.394 1.00 0.08 N ATOM 731 CA ALA A 128 31.786 9.590 0.971 1.00 0.11 C ATOM 732 C ALA A 128 33.175 10.214 1.165 1.00 0.11 C ATOM 733 O ALA A 128 33.905 9.789 2.038 1.00 0.09 O ATOM 734 CB ALA A 128 30.792 10.313 1.926 1.00 0.11 C ATOM 0 H ALA A 128 31.672 8.012 2.379 1.00 0.08 H new ATOM 0 HA ALA A 128 31.452 9.676 -0.063 1.00 0.11 H new ATOM 0 HB1 ALA A 128 30.704 11.360 1.635 1.00 0.11 H new ATOM 0 HB2 ALA A 128 29.814 9.835 1.863 1.00 0.11 H new ATOM 0 HB3 ALA A 128 31.161 10.251 2.950 1.00 0.11 H new ATOM 740 N ASP A 129 33.569 11.200 0.418 1.00 0.15 N ATOM 741 CA ASP A 129 34.909 11.803 0.633 1.00 0.20 C ATOM 742 C ASP A 129 34.727 12.863 1.698 1.00 0.20 C ATOM 743 O ASP A 129 34.002 13.825 1.539 1.00 0.24 O ATOM 744 CB ASP A 129 35.423 12.410 -0.672 1.00 0.28 C ATOM 745 CG ASP A 129 35.082 11.476 -1.835 1.00 1.08 C ATOM 746 OD1 ASP A 129 35.382 10.298 -1.729 1.00 1.93 O ATOM 747 OD2 ASP A 129 34.526 11.953 -2.809 1.00 1.71 O ATOM 0 H ASP A 129 33.020 11.616 -0.334 1.00 0.15 H new ATOM 0 HA ASP A 129 35.644 11.063 0.949 1.00 0.20 H new ATOM 0 HB2 ASP A 129 34.972 13.389 -0.833 1.00 0.28 H new ATOM 0 HB3 ASP A 129 36.501 12.561 -0.616 1.00 0.28 H new ATOM 752 N ILE A 130 35.344 12.619 2.821 1.00 0.18 N ATOM 753 CA ILE A 130 35.180 13.530 3.977 1.00 0.19 C ATOM 754 C ILE A 130 36.501 13.845 4.722 1.00 0.30 C ATOM 755 O ILE A 130 37.066 14.906 4.544 1.00 0.45 O ATOM 756 CB ILE A 130 34.104 12.904 4.896 1.00 0.09 C ATOM 757 CG1 ILE A 130 32.848 12.655 4.033 1.00 0.10 C ATOM 758 CG2 ILE A 130 33.816 13.870 6.048 1.00 0.06 C ATOM 759 CD1 ILE A 130 31.620 12.282 4.885 1.00 0.13 C ATOM 0 H ILE A 130 35.958 11.821 2.984 1.00 0.18 H new ATOM 0 HA ILE A 130 34.858 14.510 3.624 1.00 0.19 H new ATOM 0 HB ILE A 130 34.435 11.960 5.328 1.00 0.09 H new ATOM 0 HG12 ILE A 130 32.626 13.550 3.451 1.00 0.10 H new ATOM 0 HG13 ILE A 130 33.051 11.854 3.322 1.00 0.10 H new ATOM 0 HG21 ILE A 130 33.059 13.440 6.703 1.00 0.06 H new ATOM 0 HG22 ILE A 130 34.731 14.043 6.615 1.00 0.06 H new ATOM 0 HG23 ILE A 130 33.453 14.817 5.647 1.00 0.06 H new ATOM 0 HD11 ILE A 130 30.762 12.117 4.234 1.00 0.13 H new ATOM 0 HD12 ILE A 130 31.830 11.372 5.447 1.00 0.13 H new ATOM 0 HD13 ILE A 130 31.398 13.093 5.578 1.00 0.13 H new ATOM 771 N ASP A 131 37.006 12.961 5.546 1.00 0.31 N ATOM 772 CA ASP A 131 38.276 13.284 6.251 1.00 0.41 C ATOM 773 C ASP A 131 39.362 13.029 5.224 1.00 0.65 C ATOM 774 O ASP A 131 39.612 11.928 4.773 1.00 0.73 O ATOM 775 CB ASP A 131 38.553 12.436 7.496 1.00 0.32 C ATOM 776 CG ASP A 131 39.462 13.210 8.460 1.00 0.39 C ATOM 777 OD1 ASP A 131 39.225 14.391 8.648 1.00 1.08 O ATOM 778 OD2 ASP A 131 40.378 12.605 8.992 1.00 1.15 O ATOM 0 H ASP A 131 36.601 12.049 5.756 1.00 0.31 H new ATOM 0 HA ASP A 131 38.228 14.309 6.620 1.00 0.41 H new ATOM 0 HB2 ASP A 131 37.615 12.182 7.990 1.00 0.32 H new ATOM 0 HB3 ASP A 131 39.027 11.497 7.210 1.00 0.32 H new ATOM 783 N GLY A 132 39.937 14.077 4.848 1.00 0.76 N ATOM 784 CA GLY A 132 40.993 14.107 3.810 1.00 1.00 C ATOM 785 C GLY A 132 40.780 15.370 2.973 1.00 0.97 C ATOM 786 O GLY A 132 41.576 15.719 2.125 1.00 1.15 O ATOM 0 H GLY A 132 39.719 14.997 5.232 1.00 0.76 H new ATOM 0 HA2 GLY A 132 41.982 14.114 4.269 1.00 1.00 H new ATOM 0 HA3 GLY A 132 40.939 13.218 3.182 1.00 1.00 H new ATOM 790 N ASP A 133 39.671 16.045 3.207 1.00 0.75 N ATOM 791 CA ASP A 133 39.308 17.285 2.450 1.00 0.73 C ATOM 792 C ASP A 133 38.664 18.345 3.378 1.00 0.44 C ATOM 793 O ASP A 133 38.869 19.529 3.193 1.00 0.36 O ATOM 794 CB ASP A 133 38.288 16.908 1.371 1.00 0.86 C ATOM 795 CG ASP A 133 38.976 16.072 0.291 1.00 1.64 C ATOM 796 OD1 ASP A 133 40.194 16.109 0.226 1.00 2.49 O ATOM 797 OD2 ASP A 133 38.274 15.407 -0.453 1.00 2.01 O ATOM 0 H ASP A 133 38.986 15.775 3.913 1.00 0.75 H new ATOM 0 HA ASP A 133 40.215 17.707 2.017 1.00 0.73 H new ATOM 0 HB2 ASP A 133 37.466 16.345 1.813 1.00 0.86 H new ATOM 0 HB3 ASP A 133 37.858 17.808 0.931 1.00 0.86 H new ATOM 802 N GLY A 134 37.951 17.941 4.413 1.00 0.31 N ATOM 803 CA GLY A 134 37.379 18.942 5.387 1.00 0.06 C ATOM 804 C GLY A 134 35.860 19.158 5.208 1.00 0.07 C ATOM 805 O GLY A 134 35.104 18.834 6.103 1.00 0.14 O ATOM 0 H GLY A 134 37.741 16.966 4.625 1.00 0.31 H new ATOM 0 HA2 GLY A 134 37.575 18.603 6.404 1.00 0.06 H new ATOM 0 HA3 GLY A 134 37.893 19.895 5.264 1.00 0.06 H new ATOM 809 N GLN A 135 35.391 19.742 4.123 1.00 0.08 N ATOM 810 CA GLN A 135 33.913 20.012 3.998 1.00 0.14 C ATOM 811 C GLN A 135 33.222 19.018 3.043 1.00 0.15 C ATOM 812 O GLN A 135 33.763 18.659 2.016 1.00 0.19 O ATOM 813 CB GLN A 135 33.730 21.442 3.454 1.00 0.20 C ATOM 814 CG GLN A 135 34.905 22.321 3.902 1.00 0.36 C ATOM 815 CD GLN A 135 36.127 22.052 3.018 1.00 0.49 C ATOM 816 OE1 GLN A 135 37.213 21.829 3.516 1.00 0.61 O ATOM 817 NE2 GLN A 135 35.994 22.061 1.720 1.00 1.71 N ATOM 0 H GLN A 135 35.958 20.040 3.329 1.00 0.08 H new ATOM 0 HA GLN A 135 33.456 19.897 4.981 1.00 0.14 H new ATOM 0 HB2 GLN A 135 33.672 21.423 2.366 1.00 0.20 H new ATOM 0 HB3 GLN A 135 32.791 21.861 3.816 1.00 0.20 H new ATOM 0 HG2 GLN A 135 34.627 23.373 3.842 1.00 0.36 H new ATOM 0 HG3 GLN A 135 35.147 22.115 4.944 1.00 0.36 H new ATOM 0 HE21 GLN A 135 35.083 22.248 1.302 1.00 1.71 H new ATOM 0 HE22 GLN A 135 36.801 21.881 1.123 1.00 1.71 H new ATOM 826 N VAL A 136 32.027 18.586 3.374 1.00 0.20 N ATOM 827 CA VAL A 136 31.283 17.623 2.488 1.00 0.21 C ATOM 828 C VAL A 136 30.024 18.290 1.942 1.00 0.30 C ATOM 829 O VAL A 136 29.358 19.036 2.633 1.00 0.35 O ATOM 830 CB VAL A 136 30.863 16.377 3.284 1.00 0.14 C ATOM 831 CG1 VAL A 136 30.592 15.198 2.335 1.00 0.12 C ATOM 832 CG2 VAL A 136 31.967 15.993 4.264 1.00 0.09 C ATOM 0 H VAL A 136 31.530 18.858 4.222 1.00 0.20 H new ATOM 0 HA VAL A 136 31.943 17.332 1.670 1.00 0.21 H new ATOM 0 HB VAL A 136 29.950 16.608 3.832 1.00 0.14 H new ATOM 0 HG11 VAL A 136 30.296 14.324 2.916 1.00 0.12 H new ATOM 0 HG12 VAL A 136 29.791 15.463 1.645 1.00 0.12 H new ATOM 0 HG13 VAL A 136 31.496 14.969 1.771 1.00 0.12 H new ATOM 0 HG21 VAL A 136 31.664 15.109 4.825 1.00 0.09 H new ATOM 0 HG22 VAL A 136 32.883 15.777 3.714 1.00 0.09 H new ATOM 0 HG23 VAL A 136 32.144 16.818 4.954 1.00 0.09 H new ATOM 842 N ASN A 137 29.651 17.981 0.733 1.00 0.35 N ATOM 843 CA ASN A 137 28.409 18.539 0.190 1.00 0.46 C ATOM 844 C ASN A 137 27.249 17.698 0.726 1.00 0.46 C ATOM 845 O ASN A 137 27.095 16.542 0.384 1.00 0.77 O ATOM 846 CB ASN A 137 28.440 18.479 -1.327 1.00 0.55 C ATOM 847 CG ASN A 137 29.047 17.150 -1.782 1.00 1.43 C ATOM 848 OD1 ASN A 137 29.164 16.226 -1.002 1.00 1.43 O ATOM 849 ND2 ASN A 137 29.441 17.014 -3.019 1.00 2.45 N ATOM 0 H ASN A 137 30.163 17.362 0.104 1.00 0.35 H new ATOM 0 HA ASN A 137 28.292 19.581 0.489 1.00 0.46 H new ATOM 0 HB2 ASN A 137 27.430 18.583 -1.725 1.00 0.55 H new ATOM 0 HB3 ASN A 137 29.025 19.310 -1.721 1.00 0.55 H new ATOM 0 HD21 ASN A 137 29.847 16.132 -3.331 1.00 2.45 H new ATOM 0 HD22 ASN A 137 29.343 17.790 -3.674 1.00 2.45 H new ATOM 856 N TYR A 138 26.492 18.242 1.617 1.00 0.42 N ATOM 857 CA TYR A 138 25.393 17.473 2.266 1.00 0.38 C ATOM 858 C TYR A 138 24.371 16.947 1.254 1.00 0.37 C ATOM 859 O TYR A 138 23.626 16.038 1.550 1.00 0.31 O ATOM 860 CB TYR A 138 24.688 18.374 3.294 1.00 0.43 C ATOM 861 CG TYR A 138 24.158 19.618 2.614 1.00 0.33 C ATOM 862 CD1 TYR A 138 22.944 19.568 1.930 1.00 1.03 C ATOM 863 CD2 TYR A 138 24.885 20.813 2.655 1.00 0.99 C ATOM 864 CE1 TYR A 138 22.447 20.703 1.290 1.00 0.86 C ATOM 865 CE2 TYR A 138 24.396 21.951 2.010 1.00 1.16 C ATOM 866 CZ TYR A 138 23.173 21.899 1.328 1.00 0.40 C ATOM 867 OH TYR A 138 22.689 23.023 0.689 1.00 0.53 O ATOM 0 H TYR A 138 26.583 19.207 1.936 1.00 0.42 H new ATOM 0 HA TYR A 138 25.837 16.606 2.755 1.00 0.38 H new ATOM 0 HB2 TYR A 138 23.869 17.830 3.765 1.00 0.43 H new ATOM 0 HB3 TYR A 138 25.384 18.651 4.086 1.00 0.43 H new ATOM 0 HD1 TYR A 138 22.385 18.645 1.896 1.00 1.03 H new ATOM 0 HD2 TYR A 138 25.825 20.855 3.186 1.00 0.99 H new ATOM 0 HE1 TYR A 138 21.504 20.659 0.766 1.00 0.86 H new ATOM 0 HE2 TYR A 138 24.961 22.871 2.037 1.00 1.16 H new ATOM 0 HH TYR A 138 23.178 23.813 1.001 1.00 0.53 H new ATOM 877 N GLU A 139 24.298 17.503 0.085 1.00 0.47 N ATOM 878 CA GLU A 139 23.269 17.013 -0.885 1.00 0.48 C ATOM 879 C GLU A 139 23.435 15.500 -1.159 1.00 0.39 C ATOM 880 O GLU A 139 22.477 14.757 -1.087 1.00 0.35 O ATOM 881 CB GLU A 139 23.370 17.822 -2.204 1.00 0.52 C ATOM 882 CG GLU A 139 22.307 18.934 -2.247 1.00 1.36 C ATOM 883 CD GLU A 139 22.596 19.868 -3.424 1.00 1.39 C ATOM 884 OE1 GLU A 139 23.462 19.539 -4.217 1.00 2.90 O ATOM 885 OE2 GLU A 139 21.947 20.898 -3.511 1.00 0.77 O ATOM 0 H GLU A 139 24.892 18.264 -0.246 1.00 0.47 H new ATOM 0 HA GLU A 139 22.281 17.161 -0.449 1.00 0.48 H new ATOM 0 HB2 GLU A 139 24.364 18.260 -2.292 1.00 0.52 H new ATOM 0 HB3 GLU A 139 23.239 17.155 -3.056 1.00 0.52 H new ATOM 0 HG2 GLU A 139 21.313 18.498 -2.350 1.00 1.36 H new ATOM 0 HG3 GLU A 139 22.314 19.495 -1.313 1.00 1.36 H new ATOM 892 N GLU A 140 24.616 15.028 -1.486 1.00 0.40 N ATOM 893 CA GLU A 140 24.783 13.565 -1.773 1.00 0.34 C ATOM 894 C GLU A 140 24.322 12.734 -0.571 1.00 0.33 C ATOM 895 O GLU A 140 23.732 11.684 -0.726 1.00 0.31 O ATOM 896 CB GLU A 140 26.255 13.263 -2.072 1.00 0.37 C ATOM 897 CG GLU A 140 26.634 13.865 -3.427 1.00 1.00 C ATOM 898 CD GLU A 140 28.100 13.554 -3.738 1.00 1.49 C ATOM 899 OE1 GLU A 140 28.790 13.089 -2.846 1.00 2.77 O ATOM 900 OE2 GLU A 140 28.507 13.786 -4.865 1.00 1.46 O ATOM 0 H GLU A 140 25.465 15.587 -1.566 1.00 0.40 H new ATOM 0 HA GLU A 140 24.175 13.304 -2.639 1.00 0.34 H new ATOM 0 HB2 GLU A 140 26.889 13.677 -1.288 1.00 0.37 H new ATOM 0 HB3 GLU A 140 26.422 12.186 -2.081 1.00 0.37 H new ATOM 0 HG2 GLU A 140 25.992 13.458 -4.209 1.00 1.00 H new ATOM 0 HG3 GLU A 140 26.476 14.943 -3.414 1.00 1.00 H new ATOM 907 N PHE A 141 24.573 13.194 0.627 1.00 0.36 N ATOM 908 CA PHE A 141 24.132 12.416 1.827 1.00 0.36 C ATOM 909 C PHE A 141 22.593 12.465 1.913 1.00 0.36 C ATOM 910 O PHE A 141 21.960 11.502 2.288 1.00 0.38 O ATOM 911 CB PHE A 141 24.797 12.998 3.106 1.00 0.37 C ATOM 912 CG PHE A 141 25.877 12.057 3.639 1.00 0.28 C ATOM 913 CD1 PHE A 141 25.512 10.945 4.414 1.00 0.35 C ATOM 914 CD2 PHE A 141 27.237 12.305 3.380 1.00 0.13 C ATOM 915 CE1 PHE A 141 26.500 10.091 4.931 1.00 0.27 C ATOM 916 CE2 PHE A 141 28.216 11.439 3.897 1.00 0.04 C ATOM 917 CZ PHE A 141 27.844 10.345 4.668 1.00 0.12 C ATOM 0 H PHE A 141 25.060 14.067 0.828 1.00 0.36 H new ATOM 0 HA PHE A 141 24.442 11.375 1.741 1.00 0.36 H new ATOM 0 HB2 PHE A 141 25.235 13.970 2.882 1.00 0.37 H new ATOM 0 HB3 PHE A 141 24.039 13.159 3.873 1.00 0.37 H new ATOM 0 HD1 PHE A 141 24.469 10.746 4.613 1.00 0.35 H new ATOM 0 HD2 PHE A 141 27.528 13.158 2.786 1.00 0.13 H new ATOM 0 HE1 PHE A 141 26.218 9.239 5.531 1.00 0.27 H new ATOM 0 HE2 PHE A 141 29.260 11.625 3.694 1.00 0.04 H new ATOM 0 HZ PHE A 141 28.602 9.687 5.066 1.00 0.12 H new ATOM 927 N VAL A 142 21.987 13.569 1.548 1.00 0.35 N ATOM 928 CA VAL A 142 20.490 13.657 1.594 1.00 0.35 C ATOM 929 C VAL A 142 19.890 12.693 0.566 1.00 0.34 C ATOM 930 O VAL A 142 18.922 12.003 0.818 1.00 0.35 O ATOM 931 CB VAL A 142 20.045 15.083 1.231 1.00 0.36 C ATOM 932 CG1 VAL A 142 18.519 15.138 1.027 1.00 0.40 C ATOM 933 CG2 VAL A 142 20.433 16.030 2.358 1.00 0.31 C ATOM 0 H VAL A 142 22.461 14.411 1.221 1.00 0.35 H new ATOM 0 HA VAL A 142 20.151 13.401 2.598 1.00 0.35 H new ATOM 0 HB VAL A 142 20.535 15.379 0.304 1.00 0.36 H new ATOM 0 HG11 VAL A 142 18.223 16.155 0.771 1.00 0.40 H new ATOM 0 HG12 VAL A 142 18.235 14.463 0.220 1.00 0.40 H new ATOM 0 HG13 VAL A 142 18.018 14.835 1.946 1.00 0.40 H new ATOM 0 HG21 VAL A 142 20.120 17.043 2.106 1.00 0.31 H new ATOM 0 HG22 VAL A 142 19.943 15.718 3.280 1.00 0.31 H new ATOM 0 HG23 VAL A 142 21.514 16.008 2.496 1.00 0.31 H new ATOM 943 N GLN A 143 20.473 12.670 -0.606 1.00 0.31 N ATOM 944 CA GLN A 143 19.977 11.791 -1.703 1.00 0.27 C ATOM 945 C GLN A 143 20.088 10.316 -1.308 1.00 0.30 C ATOM 946 O GLN A 143 19.216 9.520 -1.597 1.00 0.31 O ATOM 947 CB GLN A 143 20.834 12.023 -2.949 1.00 0.25 C ATOM 948 CG GLN A 143 20.542 13.411 -3.522 1.00 0.22 C ATOM 949 CD GLN A 143 19.141 13.424 -4.137 1.00 0.40 C ATOM 950 OE1 GLN A 143 18.287 14.183 -3.721 1.00 0.82 O ATOM 951 NE2 GLN A 143 18.867 12.609 -5.119 1.00 1.57 N ATOM 0 H GLN A 143 21.286 13.235 -0.851 1.00 0.31 H new ATOM 0 HA GLN A 143 18.932 12.031 -1.897 1.00 0.27 H new ATOM 0 HB2 GLN A 143 21.891 11.938 -2.697 1.00 0.25 H new ATOM 0 HB3 GLN A 143 20.622 11.258 -3.696 1.00 0.25 H new ATOM 0 HG2 GLN A 143 20.613 14.163 -2.736 1.00 0.22 H new ATOM 0 HG3 GLN A 143 21.285 13.668 -4.277 1.00 0.22 H new ATOM 0 HE21 GLN A 143 19.583 11.972 -5.468 1.00 1.57 H new ATOM 0 HE22 GLN A 143 17.937 12.609 -5.537 1.00 1.57 H new ATOM 960 N MET A 144 21.166 9.938 -0.672 1.00 0.32 N ATOM 961 CA MET A 144 21.349 8.507 -0.286 1.00 0.34 C ATOM 962 C MET A 144 20.334 8.128 0.804 1.00 0.34 C ATOM 963 O MET A 144 19.813 7.030 0.821 1.00 0.38 O ATOM 964 CB MET A 144 22.786 8.280 0.227 1.00 0.33 C ATOM 965 CG MET A 144 23.742 8.033 -0.952 1.00 0.35 C ATOM 966 SD MET A 144 25.391 7.629 -0.319 1.00 0.27 S ATOM 967 CE MET A 144 25.735 9.217 0.482 1.00 0.79 C ATOM 0 H MET A 144 21.929 10.559 -0.403 1.00 0.32 H new ATOM 0 HA MET A 144 21.183 7.877 -1.160 1.00 0.34 H new ATOM 0 HB2 MET A 144 23.117 9.148 0.797 1.00 0.33 H new ATOM 0 HB3 MET A 144 22.807 7.427 0.905 1.00 0.33 H new ATOM 0 HG2 MET A 144 23.369 7.218 -1.572 1.00 0.35 H new ATOM 0 HG3 MET A 144 23.791 8.918 -1.586 1.00 0.35 H new ATOM 0 HE1 MET A 144 26.811 9.333 0.612 1.00 0.79 H new ATOM 0 HE2 MET A 144 25.355 10.028 -0.140 1.00 0.79 H new ATOM 0 HE3 MET A 144 25.246 9.247 1.456 1.00 0.79 H new ATOM 977 N MET A 145 20.057 9.017 1.719 1.00 0.31 N ATOM 978 CA MET A 145 19.088 8.684 2.806 1.00 0.31 C ATOM 979 C MET A 145 17.670 8.614 2.241 1.00 0.35 C ATOM 980 O MET A 145 16.840 7.878 2.737 1.00 0.36 O ATOM 981 CB MET A 145 19.155 9.745 3.925 1.00 0.29 C ATOM 982 CG MET A 145 20.526 9.698 4.639 1.00 0.26 C ATOM 983 SD MET A 145 20.303 9.999 6.410 1.00 0.24 S ATOM 984 CE MET A 145 20.234 11.804 6.308 1.00 0.19 C ATOM 0 H MET A 145 20.456 9.955 1.762 1.00 0.31 H new ATOM 0 HA MET A 145 19.353 7.713 3.224 1.00 0.31 H new ATOM 0 HB2 MET A 145 18.993 10.737 3.503 1.00 0.29 H new ATOM 0 HB3 MET A 145 18.357 9.571 4.647 1.00 0.29 H new ATOM 0 HG2 MET A 145 20.996 8.727 4.482 1.00 0.26 H new ATOM 0 HG3 MET A 145 21.194 10.447 4.214 1.00 0.26 H new ATOM 0 HE1 MET A 145 19.922 12.211 7.270 1.00 0.19 H new ATOM 0 HE2 MET A 145 21.220 12.192 6.052 1.00 0.19 H new ATOM 0 HE3 MET A 145 19.518 12.098 5.540 1.00 0.19 H new ATOM 994 N THR A 146 17.368 9.367 1.216 1.00 0.40 N ATOM 995 CA THR A 146 15.996 9.317 0.656 1.00 0.46 C ATOM 996 C THR A 146 15.804 7.997 -0.105 1.00 0.56 C ATOM 997 O THR A 146 14.799 7.327 0.015 1.00 0.82 O ATOM 998 CB THR A 146 15.818 10.536 -0.268 1.00 0.40 C ATOM 999 OG1 THR A 146 17.070 11.191 -0.407 1.00 0.52 O ATOM 1000 CG2 THR A 146 14.808 11.521 0.326 1.00 0.42 C ATOM 0 H THR A 146 18.010 10.008 0.749 1.00 0.40 H new ATOM 0 HA THR A 146 15.244 9.355 1.444 1.00 0.46 H new ATOM 0 HB THR A 146 15.451 10.195 -1.236 1.00 0.40 H new ATOM 0 HG1 THR A 146 17.262 11.706 0.404 1.00 0.52 H new ATOM 0 HG21 THR A 146 14.697 12.375 -0.342 1.00 0.42 H new ATOM 0 HG22 THR A 146 13.844 11.026 0.446 1.00 0.42 H new ATOM 0 HG23 THR A 146 15.163 11.864 1.298 1.00 0.42 H new ATOM 1008 N ALA A 147 16.777 7.639 -0.881 1.00 0.46 N ATOM 1009 CA ALA A 147 16.720 6.377 -1.676 1.00 0.53 C ATOM 1010 C ALA A 147 16.584 5.171 -0.767 1.00 0.74 C ATOM 1011 O ALA A 147 15.933 4.194 -1.080 1.00 1.28 O ATOM 1012 CB ALA A 147 18.022 6.243 -2.469 1.00 1.25 C ATOM 0 H ALA A 147 17.634 8.177 -1.005 1.00 0.46 H new ATOM 0 HA ALA A 147 15.856 6.417 -2.340 1.00 0.53 H new ATOM 0 HB1 ALA A 147 17.997 5.325 -3.056 1.00 1.25 H new ATOM 0 HB2 ALA A 147 18.131 7.098 -3.136 1.00 1.25 H new ATOM 0 HB3 ALA A 147 18.866 6.210 -1.780 1.00 1.25 H new ATOM 1018 N LYS A 148 17.211 5.247 0.360 1.00 0.73 N ATOM 1019 CA LYS A 148 17.159 4.124 1.342 1.00 1.42 C ATOM 1020 C LYS A 148 16.012 4.371 2.325 1.00 1.99 C ATOM 1021 CB LYS A 148 18.479 4.054 2.113 1.00 1.41 C ATOM 1022 CG LYS A 148 19.655 3.951 1.134 1.00 1.57 C ATOM 1023 CD LYS A 148 19.644 2.586 0.433 1.00 0.54 C ATOM 1024 CE LYS A 148 21.017 2.314 -0.187 1.00 1.53 C ATOM 1025 NZ LYS A 148 21.009 0.969 -0.825 1.00 2.26 N ATOM 0 H LYS A 148 17.769 6.048 0.656 1.00 0.73 H new ATOM 0 HA LYS A 148 16.999 3.184 0.813 1.00 1.42 H new ATOM 0 HB2 LYS A 148 18.592 4.940 2.738 1.00 1.41 H new ATOM 0 HB3 LYS A 148 18.474 3.192 2.780 1.00 1.41 H new ATOM 0 HG2 LYS A 148 19.592 4.749 0.394 1.00 1.57 H new ATOM 0 HG3 LYS A 148 20.595 4.086 1.669 1.00 1.57 H new ATOM 0 HD2 LYS A 148 19.395 1.801 1.147 1.00 0.54 H new ATOM 0 HD3 LYS A 148 18.875 2.569 -0.340 1.00 0.54 H new ATOM 0 HE2 LYS A 148 21.253 3.079 -0.927 1.00 1.53 H new ATOM 0 HE3 LYS A 148 21.791 2.362 0.579 1.00 1.53 H new ATOM 0 HZ1 LYS A 148 21.940 0.780 -1.248 1.00 2.26 H new ATOM 0 HZ2 LYS A 148 20.801 0.246 -0.107 1.00 2.26 H new ATOM 0 HZ3 LYS A 148 20.280 0.941 -1.566 1.00 2.26 H new TER 1039 LYS A 148