USER MOD reduce.3.24.130724 H: found=0, std=0, add=495, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 495 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 -157:sc= -1.51 (180deg=-1.87!) USER MOD Set 1.2: A 145 MET CE :methyl 169:sc= -0.193 (180deg=-0.422) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.254 USER MOD Single : A 107 HIS : no HD1:sc= -0.0954 X(o=-0.095,f=-0.27) USER MOD Single : A 110 THR OG1 : rot -68:sc= -0.538! USER MOD Single : A 111 ASN : amide:sc= -1.74! K(o=-1.7!,f=-0.059) USER MOD Single : A 115 LYS NZ :NH3+ 159:sc= -0.0413 (180deg=-0.545) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.0152 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 137 ASN : amide:sc= -0.421! C(o=-0.42!,f=-7.4!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc=-0.00198 K(o=-0.002,f=-1.9!) USER MOD Single : A 144 MET CE :methyl 171:sc= 0 (180deg=-0.0816) USER MOD Single : A 146 THR OG1 : rot -75:sc= 0.676 USER MOD Single : A 148 LYS NZ :NH3+ 140:sc= -0.044 (180deg=-1.51) USER MOD ----------------------------------------------------------------- ATOM 15 N GLU A 83 12.700 16.666 0.224 1.00 0.19 N ATOM 16 CA GLU A 83 12.841 18.107 0.567 1.00 0.16 C ATOM 17 C GLU A 83 12.989 18.260 2.079 1.00 0.11 C ATOM 18 O GLU A 83 13.706 19.112 2.566 1.00 0.11 O ATOM 19 CB GLU A 83 11.609 18.884 0.062 1.00 0.22 C ATOM 20 CG GLU A 83 10.430 18.744 1.040 1.00 0.78 C ATOM 21 CD GLU A 83 9.140 19.198 0.354 1.00 0.97 C ATOM 22 OE1 GLU A 83 9.217 19.620 -0.788 1.00 0.99 O ATOM 23 OE2 GLU A 83 8.097 19.113 0.981 1.00 2.22 O ATOM 0 HA GLU A 83 13.730 18.513 0.085 1.00 0.16 H new ATOM 0 HB2 GLU A 83 11.863 19.937 -0.058 1.00 0.22 H new ATOM 0 HB3 GLU A 83 11.318 18.512 -0.920 1.00 0.22 H new ATOM 0 HG2 GLU A 83 10.336 17.708 1.366 1.00 0.78 H new ATOM 0 HG3 GLU A 83 10.611 19.344 1.932 1.00 0.78 H new ATOM 30 N GLU A 84 12.327 17.426 2.820 1.00 0.09 N ATOM 31 CA GLU A 84 12.437 17.498 4.299 1.00 0.07 C ATOM 32 C GLU A 84 13.885 17.225 4.686 1.00 0.08 C ATOM 33 O GLU A 84 14.460 17.911 5.508 1.00 0.13 O ATOM 34 CB GLU A 84 11.523 16.446 4.933 1.00 0.08 C ATOM 35 CG GLU A 84 10.063 16.786 4.627 1.00 0.30 C ATOM 36 CD GLU A 84 9.149 15.730 5.251 1.00 1.19 C ATOM 37 OE1 GLU A 84 9.646 14.668 5.586 1.00 1.64 O ATOM 38 OE2 GLU A 84 7.966 16.001 5.381 1.00 2.28 O ATOM 0 H GLU A 84 11.712 16.694 2.465 1.00 0.09 H new ATOM 0 HA GLU A 84 12.136 18.484 4.653 1.00 0.07 H new ATOM 0 HB2 GLU A 84 11.766 15.457 4.545 1.00 0.08 H new ATOM 0 HB3 GLU A 84 11.682 16.413 6.011 1.00 0.08 H new ATOM 0 HG2 GLU A 84 9.818 17.772 5.021 1.00 0.30 H new ATOM 0 HG3 GLU A 84 9.907 16.826 3.549 1.00 0.30 H new ATOM 45 N ILE A 85 14.489 16.248 4.076 1.00 0.09 N ATOM 46 CA ILE A 85 15.914 15.965 4.395 1.00 0.14 C ATOM 47 C ILE A 85 16.712 17.223 4.038 1.00 0.08 C ATOM 48 O ILE A 85 17.608 17.624 4.754 1.00 0.09 O ATOM 49 CB ILE A 85 16.413 14.741 3.574 1.00 0.20 C ATOM 50 CG1 ILE A 85 15.892 13.431 4.235 1.00 0.27 C ATOM 51 CG2 ILE A 85 17.959 14.745 3.503 1.00 0.21 C ATOM 52 CD1 ILE A 85 16.726 12.213 3.805 1.00 0.30 C ATOM 0 H ILE A 85 14.064 15.638 3.377 1.00 0.09 H new ATOM 0 HA ILE A 85 16.040 15.722 5.450 1.00 0.14 H new ATOM 0 HB ILE A 85 16.027 14.800 2.556 1.00 0.20 H new ATOM 0 HG12 ILE A 85 15.925 13.531 5.320 1.00 0.27 H new ATOM 0 HG13 ILE A 85 14.849 13.274 3.961 1.00 0.27 H new ATOM 0 HG21 ILE A 85 18.299 13.885 2.926 1.00 0.21 H new ATOM 0 HG22 ILE A 85 18.299 15.662 3.021 1.00 0.21 H new ATOM 0 HG23 ILE A 85 18.370 14.691 4.511 1.00 0.21 H new ATOM 0 HD11 ILE A 85 16.335 11.316 4.285 1.00 0.30 H new ATOM 0 HD12 ILE A 85 16.671 12.098 2.722 1.00 0.30 H new ATOM 0 HD13 ILE A 85 17.764 12.360 4.102 1.00 0.30 H new ATOM 64 N ARG A 86 16.399 17.842 2.930 1.00 0.06 N ATOM 65 CA ARG A 86 17.151 19.061 2.527 1.00 0.09 C ATOM 66 C ARG A 86 16.863 20.192 3.509 1.00 0.11 C ATOM 67 O ARG A 86 17.753 20.946 3.850 1.00 0.17 O ATOM 68 CB ARG A 86 16.741 19.481 1.114 1.00 0.14 C ATOM 69 CG ARG A 86 17.518 20.735 0.705 1.00 0.60 C ATOM 70 CD ARG A 86 17.222 21.061 -0.760 1.00 0.60 C ATOM 71 NE ARG A 86 17.895 20.061 -1.634 1.00 0.90 N ATOM 72 CZ ARG A 86 17.548 19.948 -2.887 1.00 1.64 C ATOM 73 NH1 ARG A 86 16.618 20.721 -3.380 1.00 2.72 N ATOM 74 NH2 ARG A 86 18.133 19.064 -3.647 1.00 1.61 N ATOM 0 H ARG A 86 15.658 17.556 2.291 1.00 0.06 H new ATOM 0 HA ARG A 86 18.219 18.843 2.537 1.00 0.09 H new ATOM 0 HB2 ARG A 86 16.940 18.672 0.411 1.00 0.14 H new ATOM 0 HB3 ARG A 86 15.669 19.677 1.079 1.00 0.14 H new ATOM 0 HG2 ARG A 86 17.235 21.575 1.340 1.00 0.60 H new ATOM 0 HG3 ARG A 86 18.587 20.575 0.845 1.00 0.60 H new ATOM 0 HD2 ARG A 86 16.146 21.050 -0.937 1.00 0.60 H new ATOM 0 HD3 ARG A 86 17.574 22.065 -0.999 1.00 0.60 H new ATOM 0 HE ARG A 86 18.628 19.463 -1.253 1.00 0.90 H new ATOM 0 HH11 ARG A 86 16.162 21.414 -2.786 1.00 2.72 H new ATOM 0 HH12 ARG A 86 16.347 20.632 -4.359 1.00 2.72 H new ATOM 0 HH21 ARG A 86 18.861 18.462 -3.262 1.00 1.61 H new ATOM 0 HH22 ARG A 86 17.863 18.975 -4.626 1.00 1.61 H new ATOM 88 N GLU A 87 15.641 20.361 3.967 1.00 0.09 N ATOM 89 CA GLU A 87 15.367 21.483 4.903 1.00 0.12 C ATOM 90 C GLU A 87 16.042 21.219 6.246 1.00 0.10 C ATOM 91 O GLU A 87 16.537 22.134 6.874 1.00 0.10 O ATOM 92 CB GLU A 87 13.851 21.719 5.063 1.00 0.14 C ATOM 93 CG GLU A 87 13.318 22.464 3.837 1.00 0.39 C ATOM 94 CD GLU A 87 11.814 22.696 3.997 1.00 1.85 C ATOM 95 OE1 GLU A 87 11.241 22.123 4.909 1.00 3.05 O ATOM 96 OE2 GLU A 87 11.262 23.443 3.206 1.00 2.39 O ATOM 0 H GLU A 87 14.839 19.776 3.733 1.00 0.09 H new ATOM 0 HA GLU A 87 15.787 22.398 4.485 1.00 0.12 H new ATOM 0 HB2 GLU A 87 13.334 20.766 5.176 1.00 0.14 H new ATOM 0 HB3 GLU A 87 13.655 22.297 5.966 1.00 0.14 H new ATOM 0 HG2 GLU A 87 13.834 23.417 3.724 1.00 0.39 H new ATOM 0 HG3 GLU A 87 13.514 21.887 2.933 1.00 0.39 H new ATOM 103 N ALA A 88 16.110 19.997 6.698 1.00 0.07 N ATOM 104 CA ALA A 88 16.803 19.765 7.982 1.00 0.06 C ATOM 105 C ALA A 88 18.248 20.135 7.748 1.00 0.04 C ATOM 106 O ALA A 88 18.838 20.887 8.478 1.00 0.06 O ATOM 107 CB ALA A 88 16.710 18.285 8.357 1.00 0.05 C ATOM 0 H ALA A 88 15.724 19.171 6.242 1.00 0.07 H new ATOM 0 HA ALA A 88 16.361 20.350 8.788 1.00 0.06 H new ATOM 0 HB1 ALA A 88 17.222 18.117 9.304 1.00 0.05 H new ATOM 0 HB2 ALA A 88 15.663 18.000 8.455 1.00 0.05 H new ATOM 0 HB3 ALA A 88 17.179 17.682 7.579 1.00 0.05 H new ATOM 113 N PHE A 89 18.832 19.641 6.698 1.00 0.05 N ATOM 114 CA PHE A 89 20.235 20.010 6.443 1.00 0.06 C ATOM 115 C PHE A 89 20.329 21.545 6.426 1.00 0.07 C ATOM 116 O PHE A 89 21.251 22.119 6.971 1.00 0.08 O ATOM 117 CB PHE A 89 20.723 19.381 5.127 1.00 0.07 C ATOM 118 CG PHE A 89 21.253 17.986 5.410 1.00 0.07 C ATOM 119 CD1 PHE A 89 22.360 17.830 6.255 1.00 0.09 C ATOM 120 CD2 PHE A 89 20.643 16.853 4.842 1.00 0.06 C ATOM 121 CE1 PHE A 89 22.853 16.566 6.531 1.00 0.11 C ATOM 122 CE2 PHE A 89 21.157 15.566 5.134 1.00 0.09 C ATOM 123 CZ PHE A 89 22.273 15.446 5.988 1.00 0.11 C ATOM 0 H PHE A 89 18.404 19.010 6.020 1.00 0.05 H new ATOM 0 HA PHE A 89 20.886 19.626 7.229 1.00 0.06 H new ATOM 0 HB2 PHE A 89 19.906 19.334 4.407 1.00 0.07 H new ATOM 0 HB3 PHE A 89 21.505 19.997 4.683 1.00 0.07 H new ATOM 0 HD1 PHE A 89 22.830 18.698 6.692 1.00 0.09 H new ATOM 0 HD2 PHE A 89 19.790 16.964 4.189 1.00 0.06 H new ATOM 0 HE1 PHE A 89 23.707 16.459 7.183 1.00 0.11 H new ATOM 0 HE2 PHE A 89 20.699 14.686 4.707 1.00 0.09 H new ATOM 0 HZ PHE A 89 22.673 14.469 6.216 1.00 0.11 H new ATOM 133 N ARG A 90 19.362 22.221 5.852 1.00 0.07 N ATOM 134 CA ARG A 90 19.368 23.716 5.853 1.00 0.07 C ATOM 135 C ARG A 90 19.248 24.221 7.292 1.00 0.06 C ATOM 136 O ARG A 90 19.871 25.197 7.661 1.00 0.07 O ATOM 137 CB ARG A 90 18.187 24.228 5.030 1.00 0.06 C ATOM 138 CG ARG A 90 18.234 25.756 4.951 1.00 0.35 C ATOM 139 CD ARG A 90 17.053 26.260 4.118 1.00 0.34 C ATOM 140 NE ARG A 90 17.359 26.086 2.671 1.00 1.93 N ATOM 141 CZ ARG A 90 16.403 26.167 1.787 1.00 3.33 C ATOM 142 NH1 ARG A 90 15.176 26.396 2.171 1.00 4.69 N ATOM 143 NH2 ARG A 90 16.672 26.020 0.519 1.00 3.73 N ATOM 0 H ARG A 90 18.564 21.796 5.380 1.00 0.07 H new ATOM 0 HA ARG A 90 20.298 24.080 5.417 1.00 0.07 H new ATOM 0 HB2 ARG A 90 18.219 23.802 4.027 1.00 0.06 H new ATOM 0 HB3 ARG A 90 17.249 23.907 5.484 1.00 0.06 H new ATOM 0 HG2 ARG A 90 18.195 26.184 5.953 1.00 0.35 H new ATOM 0 HG3 ARG A 90 19.173 26.079 4.502 1.00 0.35 H new ATOM 0 HD2 ARG A 90 16.149 25.710 4.379 1.00 0.34 H new ATOM 0 HD3 ARG A 90 16.861 27.310 4.337 1.00 0.34 H new ATOM 0 HE ARG A 90 18.317 25.903 2.371 1.00 1.93 H new ATOM 0 HH11 ARG A 90 14.965 26.512 3.162 1.00 4.69 H new ATOM 0 HH12 ARG A 90 14.429 26.459 1.480 1.00 4.69 H new ATOM 0 HH21 ARG A 90 17.630 25.842 0.218 1.00 3.73 H new ATOM 0 HH22 ARG A 90 15.924 26.083 -0.172 1.00 3.73 H new ATOM 157 N VAL A 91 18.480 23.562 8.127 1.00 0.06 N ATOM 158 CA VAL A 91 18.365 24.009 9.546 1.00 0.06 C ATOM 159 C VAL A 91 19.774 23.985 10.124 1.00 0.09 C ATOM 160 O VAL A 91 20.082 24.648 11.094 1.00 0.11 O ATOM 161 CB VAL A 91 17.463 23.016 10.327 1.00 0.04 C ATOM 162 CG1 VAL A 91 17.896 22.910 11.798 1.00 0.06 C ATOM 163 CG2 VAL A 91 16.000 23.476 10.258 1.00 0.02 C ATOM 0 H VAL A 91 17.931 22.737 7.886 1.00 0.06 H new ATOM 0 HA VAL A 91 17.926 25.004 9.617 1.00 0.06 H new ATOM 0 HB VAL A 91 17.565 22.034 9.866 1.00 0.04 H new ATOM 0 HG11 VAL A 91 17.246 22.207 12.319 1.00 0.06 H new ATOM 0 HG12 VAL A 91 18.926 22.558 11.850 1.00 0.06 H new ATOM 0 HG13 VAL A 91 17.824 23.890 12.270 1.00 0.06 H new ATOM 0 HG21 VAL A 91 15.372 22.775 10.808 1.00 0.02 H new ATOM 0 HG22 VAL A 91 15.909 24.468 10.700 1.00 0.02 H new ATOM 0 HG23 VAL A 91 15.679 23.512 9.217 1.00 0.02 H new ATOM 173 N PHE A 92 20.621 23.191 9.532 1.00 0.10 N ATOM 174 CA PHE A 92 22.009 23.057 10.015 1.00 0.13 C ATOM 175 C PHE A 92 22.938 23.904 9.151 1.00 0.17 C ATOM 176 O PHE A 92 24.142 23.764 9.201 1.00 0.19 O ATOM 177 CB PHE A 92 22.370 21.582 9.951 1.00 0.12 C ATOM 178 CG PHE A 92 21.804 20.917 11.187 1.00 0.11 C ATOM 179 CD1 PHE A 92 20.496 20.392 11.217 1.00 0.07 C ATOM 180 CD2 PHE A 92 22.586 20.892 12.327 1.00 0.17 C ATOM 181 CE1 PHE A 92 19.989 19.851 12.394 1.00 0.13 C ATOM 182 CE2 PHE A 92 22.084 20.335 13.512 1.00 0.21 C ATOM 183 CZ PHE A 92 20.777 19.819 13.542 1.00 0.19 C ATOM 0 H PHE A 92 20.398 22.620 8.717 1.00 0.10 H new ATOM 0 HA PHE A 92 22.112 23.412 11.040 1.00 0.13 H new ATOM 0 HB2 PHE A 92 21.960 21.126 9.050 1.00 0.12 H new ATOM 0 HB3 PHE A 92 23.452 21.454 9.909 1.00 0.12 H new ATOM 0 HD1 PHE A 92 19.887 20.410 10.325 1.00 0.07 H new ATOM 0 HD2 PHE A 92 23.585 21.302 12.305 1.00 0.17 H new ATOM 0 HE1 PHE A 92 18.984 19.456 12.418 1.00 0.13 H new ATOM 0 HE2 PHE A 92 22.700 20.303 14.399 1.00 0.21 H new ATOM 0 HZ PHE A 92 20.384 19.398 14.455 1.00 0.19 H new ATOM 193 N ASP A 93 22.388 24.826 8.404 1.00 0.20 N ATOM 194 CA ASP A 93 23.219 25.750 7.575 1.00 0.24 C ATOM 195 C ASP A 93 22.677 27.170 7.785 1.00 0.45 C ATOM 196 O ASP A 93 21.763 27.628 7.129 1.00 0.55 O ATOM 197 CB ASP A 93 23.133 25.364 6.097 1.00 0.27 C ATOM 198 CG ASP A 93 24.070 26.256 5.281 1.00 0.32 C ATOM 199 OD1 ASP A 93 24.745 27.077 5.881 1.00 1.03 O ATOM 200 OD2 ASP A 93 24.098 26.104 4.071 1.00 1.46 O ATOM 0 H ASP A 93 21.382 24.980 8.332 1.00 0.20 H new ATOM 0 HA ASP A 93 24.266 25.691 7.872 1.00 0.24 H new ATOM 0 HB2 ASP A 93 23.406 24.317 5.967 1.00 0.27 H new ATOM 0 HB3 ASP A 93 22.109 25.473 5.741 1.00 0.27 H new ATOM 205 N LYS A 94 23.233 27.819 8.767 1.00 0.56 N ATOM 206 CA LYS A 94 22.773 29.189 9.149 1.00 0.76 C ATOM 207 C LYS A 94 22.900 30.178 7.997 1.00 0.71 C ATOM 208 O LYS A 94 22.216 31.180 7.944 1.00 0.85 O ATOM 209 CB LYS A 94 23.648 29.684 10.303 1.00 0.95 C ATOM 210 CG LYS A 94 23.344 28.871 11.564 1.00 1.08 C ATOM 211 CD LYS A 94 24.222 29.368 12.714 1.00 1.67 C ATOM 212 CE LYS A 94 23.911 28.567 13.980 1.00 2.57 C ATOM 213 NZ LYS A 94 24.828 28.995 15.075 1.00 3.98 N ATOM 0 H LYS A 94 24.000 27.455 9.333 1.00 0.56 H new ATOM 0 HA LYS A 94 21.722 29.128 9.430 1.00 0.76 H new ATOM 0 HB2 LYS A 94 24.702 29.587 10.041 1.00 0.95 H new ATOM 0 HB3 LYS A 94 23.461 30.742 10.486 1.00 0.95 H new ATOM 0 HG2 LYS A 94 22.291 28.969 11.828 1.00 1.08 H new ATOM 0 HG3 LYS A 94 23.530 27.813 11.381 1.00 1.08 H new ATOM 0 HD2 LYS A 94 25.275 29.261 12.453 1.00 1.67 H new ATOM 0 HD3 LYS A 94 24.043 30.429 12.889 1.00 1.67 H new ATOM 0 HE2 LYS A 94 22.874 28.724 14.277 1.00 2.57 H new ATOM 0 HE3 LYS A 94 24.030 27.501 13.787 1.00 2.57 H new ATOM 0 HZ1 LYS A 94 24.618 28.451 15.936 1.00 3.98 H new ATOM 0 HZ2 LYS A 94 25.813 28.824 14.789 1.00 3.98 H new ATOM 0 HZ3 LYS A 94 24.693 30.009 15.264 1.00 3.98 H new ATOM 227 N ASP A 95 23.796 29.917 7.096 1.00 0.59 N ATOM 228 CA ASP A 95 24.014 30.856 5.952 1.00 0.54 C ATOM 229 C ASP A 95 23.309 30.363 4.689 1.00 0.19 C ATOM 230 O ASP A 95 23.507 30.907 3.620 1.00 0.21 O ATOM 231 CB ASP A 95 25.513 30.961 5.676 1.00 0.81 C ATOM 232 CG ASP A 95 26.191 31.719 6.820 1.00 1.98 C ATOM 233 OD1 ASP A 95 25.494 32.423 7.532 1.00 2.32 O ATOM 234 OD2 ASP A 95 27.394 31.582 6.964 1.00 3.10 O ATOM 0 H ASP A 95 24.394 29.091 7.096 1.00 0.59 H new ATOM 0 HA ASP A 95 23.601 31.829 6.219 1.00 0.54 H new ATOM 0 HB2 ASP A 95 25.946 29.966 5.578 1.00 0.81 H new ATOM 0 HB3 ASP A 95 25.684 31.477 4.732 1.00 0.81 H new ATOM 239 N GLY A 96 22.468 29.360 4.800 1.00 0.07 N ATOM 240 CA GLY A 96 21.724 28.846 3.602 1.00 0.43 C ATOM 241 C GLY A 96 22.636 28.848 2.374 1.00 0.33 C ATOM 242 O GLY A 96 22.360 29.511 1.394 1.00 0.46 O ATOM 0 H GLY A 96 22.264 28.873 5.673 1.00 0.07 H new ATOM 0 HA2 GLY A 96 21.363 27.836 3.795 1.00 0.43 H new ATOM 0 HA3 GLY A 96 20.848 29.467 3.415 1.00 0.43 H new ATOM 246 N ASN A 97 23.733 28.128 2.432 1.00 0.12 N ATOM 247 CA ASN A 97 24.688 28.102 1.278 1.00 0.10 C ATOM 248 C ASN A 97 24.882 26.676 0.766 1.00 0.15 C ATOM 249 O ASN A 97 24.341 26.295 -0.253 1.00 0.38 O ATOM 250 CB ASN A 97 26.040 28.657 1.733 1.00 0.17 C ATOM 251 CG ASN A 97 27.024 28.631 0.562 1.00 0.30 C ATOM 252 OD1 ASN A 97 27.859 27.752 0.475 1.00 1.31 O ATOM 253 ND2 ASN A 97 26.960 29.561 -0.351 1.00 0.76 N ATOM 0 H ASN A 97 24.008 27.556 3.231 1.00 0.12 H new ATOM 0 HA ASN A 97 24.278 28.711 0.472 1.00 0.10 H new ATOM 0 HB2 ASN A 97 25.922 29.677 2.099 1.00 0.17 H new ATOM 0 HB3 ASN A 97 26.428 28.064 2.561 1.00 0.17 H new ATOM 0 HD21 ASN A 97 27.610 29.550 -1.137 1.00 0.76 H new ATOM 0 HD22 ASN A 97 26.260 30.299 -0.279 1.00 0.76 H new ATOM 260 N GLY A 98 25.639 25.879 1.463 1.00 0.08 N ATOM 261 CA GLY A 98 25.828 24.478 0.978 1.00 0.11 C ATOM 262 C GLY A 98 26.752 23.633 1.871 1.00 0.11 C ATOM 263 O GLY A 98 26.803 22.430 1.715 1.00 0.23 O ATOM 0 H GLY A 98 26.125 26.123 2.326 1.00 0.08 H new ATOM 0 HA2 GLY A 98 24.855 23.991 0.914 1.00 0.11 H new ATOM 0 HA3 GLY A 98 26.238 24.505 -0.031 1.00 0.11 H new ATOM 267 N TYR A 99 27.497 24.221 2.776 1.00 0.14 N ATOM 268 CA TYR A 99 28.430 23.411 3.635 1.00 0.18 C ATOM 269 C TYR A 99 28.087 23.534 5.128 1.00 0.19 C ATOM 270 O TYR A 99 27.803 24.602 5.633 1.00 0.18 O ATOM 271 CB TYR A 99 29.856 23.925 3.422 1.00 0.15 C ATOM 272 CG TYR A 99 30.244 23.779 1.968 1.00 0.15 C ATOM 273 CD1 TYR A 99 29.795 24.713 1.026 1.00 0.78 C ATOM 274 CD2 TYR A 99 31.057 22.712 1.563 1.00 0.81 C ATOM 275 CE1 TYR A 99 30.158 24.580 -0.320 1.00 0.80 C ATOM 276 CE2 TYR A 99 31.419 22.580 0.218 1.00 0.80 C ATOM 277 CZ TYR A 99 30.970 23.513 -0.724 1.00 0.18 C ATOM 278 OH TYR A 99 31.327 23.382 -2.050 1.00 0.21 O ATOM 0 H TYR A 99 27.502 25.224 2.960 1.00 0.14 H new ATOM 0 HA TYR A 99 28.333 22.364 3.348 1.00 0.18 H new ATOM 0 HB2 TYR A 99 29.924 24.971 3.722 1.00 0.15 H new ATOM 0 HB3 TYR A 99 30.550 23.367 4.050 1.00 0.15 H new ATOM 0 HD1 TYR A 99 29.169 25.536 1.338 1.00 0.78 H new ATOM 0 HD2 TYR A 99 31.404 21.992 2.289 1.00 0.81 H new ATOM 0 HE1 TYR A 99 29.812 25.300 -1.046 1.00 0.80 H new ATOM 0 HE2 TYR A 99 32.046 21.757 -0.094 1.00 0.80 H new ATOM 0 HH TYR A 99 31.893 22.590 -2.160 1.00 0.21 H new ATOM 288 N ILE A 100 28.191 22.437 5.845 1.00 0.20 N ATOM 289 CA ILE A 100 27.965 22.440 7.326 1.00 0.21 C ATOM 290 C ILE A 100 29.048 21.538 7.913 1.00 0.19 C ATOM 291 O ILE A 100 29.696 20.804 7.194 1.00 0.18 O ATOM 292 CB ILE A 100 26.554 21.939 7.720 1.00 0.23 C ATOM 293 CG1 ILE A 100 26.363 20.463 7.329 1.00 0.26 C ATOM 294 CG2 ILE A 100 25.502 22.799 7.011 1.00 0.17 C ATOM 295 CD1 ILE A 100 25.004 19.952 7.836 1.00 0.31 C ATOM 0 H ILE A 100 28.427 21.524 5.457 1.00 0.20 H new ATOM 0 HA ILE A 100 28.022 23.457 7.714 1.00 0.21 H new ATOM 0 HB ILE A 100 26.442 22.022 8.801 1.00 0.23 H new ATOM 0 HG12 ILE A 100 26.419 20.356 6.246 1.00 0.26 H new ATOM 0 HG13 ILE A 100 27.167 19.860 7.751 1.00 0.26 H new ATOM 0 HG21 ILE A 100 24.505 22.452 7.283 1.00 0.17 H new ATOM 0 HG22 ILE A 100 25.619 23.840 7.313 1.00 0.17 H new ATOM 0 HG23 ILE A 100 25.632 22.717 5.932 1.00 0.17 H new ATOM 0 HD11 ILE A 100 24.880 18.907 7.553 1.00 0.31 H new ATOM 0 HD12 ILE A 100 24.963 20.042 8.922 1.00 0.31 H new ATOM 0 HD13 ILE A 100 24.204 20.545 7.393 1.00 0.31 H new ATOM 307 N SER A 101 29.273 21.573 9.189 1.00 0.21 N ATOM 308 CA SER A 101 30.339 20.696 9.755 1.00 0.19 C ATOM 309 C SER A 101 29.871 19.236 9.816 1.00 0.15 C ATOM 310 O SER A 101 28.718 18.934 10.024 1.00 0.14 O ATOM 311 CB SER A 101 30.737 21.174 11.148 1.00 0.20 C ATOM 312 OG SER A 101 29.634 21.038 12.034 1.00 0.17 O ATOM 0 H SER A 101 28.777 22.159 9.861 1.00 0.21 H new ATOM 0 HA SER A 101 31.207 20.754 9.099 1.00 0.19 H new ATOM 0 HB2 SER A 101 31.584 20.593 11.514 1.00 0.20 H new ATOM 0 HB3 SER A 101 31.058 22.215 11.108 1.00 0.20 H new ATOM 0 HG SER A 101 29.893 21.344 12.928 1.00 0.17 H new ATOM 318 N ALA A 102 30.779 18.335 9.600 1.00 0.11 N ATOM 319 CA ALA A 102 30.417 16.882 9.610 1.00 0.07 C ATOM 320 C ALA A 102 29.674 16.494 10.886 1.00 0.04 C ATOM 321 O ALA A 102 28.755 15.701 10.848 1.00 0.03 O ATOM 322 CB ALA A 102 31.688 16.055 9.525 1.00 0.04 C ATOM 0 H ALA A 102 31.762 18.534 9.415 1.00 0.11 H new ATOM 0 HA ALA A 102 29.764 16.693 8.758 1.00 0.07 H new ATOM 0 HB1 ALA A 102 31.434 14.995 9.532 1.00 0.04 H new ATOM 0 HB2 ALA A 102 32.217 16.295 8.603 1.00 0.04 H new ATOM 0 HB3 ALA A 102 32.326 16.280 10.379 1.00 0.04 H new ATOM 328 N ALA A 103 30.033 17.033 12.009 1.00 0.06 N ATOM 329 CA ALA A 103 29.286 16.652 13.239 1.00 0.06 C ATOM 330 C ALA A 103 27.856 17.123 13.056 1.00 0.04 C ATOM 331 O ALA A 103 26.912 16.437 13.392 1.00 0.07 O ATOM 332 CB ALA A 103 29.909 17.332 14.461 1.00 0.12 C ATOM 0 H ALA A 103 30.791 17.704 12.133 1.00 0.06 H new ATOM 0 HA ALA A 103 29.322 15.574 13.398 1.00 0.06 H new ATOM 0 HB1 ALA A 103 29.356 17.048 15.357 1.00 0.12 H new ATOM 0 HB2 ALA A 103 30.948 17.019 14.561 1.00 0.12 H new ATOM 0 HB3 ALA A 103 29.866 18.414 14.336 1.00 0.12 H new ATOM 338 N GLU A 104 27.689 18.292 12.499 1.00 0.04 N ATOM 339 CA GLU A 104 26.324 18.805 12.267 1.00 0.05 C ATOM 340 C GLU A 104 25.595 17.848 11.308 1.00 0.05 C ATOM 341 O GLU A 104 24.445 17.516 11.506 1.00 0.17 O ATOM 342 CB GLU A 104 26.374 20.218 11.675 1.00 0.08 C ATOM 343 CG GLU A 104 26.644 21.236 12.789 1.00 0.66 C ATOM 344 CD GLU A 104 26.702 22.645 12.196 1.00 0.61 C ATOM 345 OE1 GLU A 104 26.886 22.755 10.996 1.00 0.43 O ATOM 346 OE2 GLU A 104 26.562 23.591 12.954 1.00 0.81 O ATOM 0 H GLU A 104 28.444 18.908 12.197 1.00 0.04 H new ATOM 0 HA GLU A 104 25.787 18.858 13.214 1.00 0.05 H new ATOM 0 HB2 GLU A 104 27.155 20.278 10.917 1.00 0.08 H new ATOM 0 HB3 GLU A 104 25.431 20.449 11.179 1.00 0.08 H new ATOM 0 HG2 GLU A 104 25.859 21.181 13.544 1.00 0.66 H new ATOM 0 HG3 GLU A 104 27.584 21.002 13.289 1.00 0.66 H new ATOM 353 N LEU A 105 26.270 17.395 10.279 1.00 0.07 N ATOM 354 CA LEU A 105 25.664 16.448 9.285 1.00 0.04 C ATOM 355 C LEU A 105 25.266 15.143 9.974 1.00 0.05 C ATOM 356 O LEU A 105 24.157 14.672 9.823 1.00 0.04 O ATOM 357 CB LEU A 105 26.738 16.167 8.209 1.00 0.02 C ATOM 358 CG LEU A 105 26.171 15.212 7.060 1.00 0.03 C ATOM 359 CD1 LEU A 105 25.875 15.842 5.641 1.00 0.13 C ATOM 360 CD2 LEU A 105 27.158 14.067 6.831 1.00 0.16 C ATOM 0 H LEU A 105 27.238 17.647 10.081 1.00 0.07 H new ATOM 0 HA LEU A 105 24.768 16.880 8.839 1.00 0.04 H new ATOM 0 HB2 LEU A 105 27.072 17.108 7.771 1.00 0.02 H new ATOM 0 HB3 LEU A 105 27.609 15.704 8.673 1.00 0.02 H new ATOM 0 HG LEU A 105 25.198 14.916 7.453 1.00 0.03 H new ATOM 0 HD11 LEU A 105 25.496 15.069 4.972 1.00 0.13 H new ATOM 0 HD12 LEU A 105 25.130 16.632 5.742 1.00 0.13 H new ATOM 0 HD13 LEU A 105 26.794 16.260 5.230 1.00 0.13 H new ATOM 0 HD21 LEU A 105 26.778 13.410 6.048 1.00 0.16 H new ATOM 0 HD22 LEU A 105 28.123 14.473 6.527 1.00 0.16 H new ATOM 0 HD23 LEU A 105 27.278 13.500 7.754 1.00 0.16 H new ATOM 372 N ARG A 106 26.149 14.546 10.733 1.00 0.09 N ATOM 373 CA ARG A 106 25.791 13.281 11.414 1.00 0.13 C ATOM 374 C ARG A 106 24.595 13.575 12.322 1.00 0.12 C ATOM 375 O ARG A 106 23.731 12.750 12.515 1.00 0.11 O ATOM 376 CB ARG A 106 27.031 12.769 12.189 1.00 0.23 C ATOM 377 CG ARG A 106 26.698 12.444 13.648 1.00 1.61 C ATOM 378 CD ARG A 106 27.920 11.819 14.322 1.00 1.56 C ATOM 379 NE ARG A 106 29.028 12.814 14.354 1.00 2.66 N ATOM 380 CZ ARG A 106 30.060 12.617 15.127 1.00 2.57 C ATOM 381 NH1 ARG A 106 30.126 11.547 15.871 1.00 3.52 N ATOM 382 NH2 ARG A 106 31.028 13.493 15.155 1.00 2.04 N ATOM 0 H ARG A 106 27.096 14.883 10.906 1.00 0.09 H new ATOM 0 HA ARG A 106 25.504 12.493 10.717 1.00 0.13 H new ATOM 0 HB2 ARG A 106 27.423 11.878 11.699 1.00 0.23 H new ATOM 0 HB3 ARG A 106 27.817 13.523 12.155 1.00 0.23 H new ATOM 0 HG2 ARG A 106 26.402 13.351 14.176 1.00 1.61 H new ATOM 0 HG3 ARG A 106 25.852 11.758 13.695 1.00 1.61 H new ATOM 0 HD2 ARG A 106 27.669 11.504 15.335 1.00 1.56 H new ATOM 0 HD3 ARG A 106 28.233 10.927 13.779 1.00 1.56 H new ATOM 0 HE ARG A 106 28.980 13.650 13.771 1.00 2.66 H new ATOM 0 HH11 ARG A 106 29.370 10.863 15.849 1.00 3.52 H new ATOM 0 HH12 ARG A 106 30.934 11.395 16.475 1.00 3.52 H new ATOM 0 HH21 ARG A 106 30.976 14.329 14.573 1.00 2.04 H new ATOM 0 HH22 ARG A 106 31.836 13.341 15.759 1.00 2.04 H new ATOM 396 N HIS A 107 24.557 14.754 12.870 1.00 0.12 N ATOM 397 CA HIS A 107 23.432 15.130 13.776 1.00 0.15 C ATOM 398 C HIS A 107 22.140 15.327 12.980 1.00 0.12 C ATOM 399 O HIS A 107 21.096 14.843 13.369 1.00 0.16 O ATOM 400 CB HIS A 107 23.805 16.422 14.511 1.00 0.18 C ATOM 401 CG HIS A 107 22.974 16.555 15.753 1.00 0.23 C ATOM 402 ND1 HIS A 107 22.927 15.571 16.727 1.00 0.49 N ATOM 403 CD2 HIS A 107 22.154 17.553 16.186 1.00 0.28 C ATOM 404 CE1 HIS A 107 22.095 16.000 17.694 1.00 0.45 C ATOM 405 NE2 HIS A 107 21.595 17.207 17.413 1.00 0.26 N ATOM 0 H HIS A 107 25.259 15.480 12.731 1.00 0.12 H new ATOM 0 HA HIS A 107 23.262 14.330 14.496 1.00 0.15 H new ATOM 0 HB2 HIS A 107 24.864 16.412 14.770 1.00 0.18 H new ATOM 0 HB3 HIS A 107 23.644 17.281 13.860 1.00 0.18 H new ATOM 0 HD2 HIS A 107 21.966 18.475 15.656 1.00 0.28 H new ATOM 0 HE1 HIS A 107 21.861 15.439 18.586 1.00 0.45 H new ATOM 0 HE2 HIS A 107 20.945 17.756 17.976 1.00 0.26 H new ATOM 413 N VAL A 108 22.182 16.015 11.865 1.00 0.08 N ATOM 414 CA VAL A 108 20.935 16.195 11.082 1.00 0.09 C ATOM 415 C VAL A 108 20.390 14.806 10.748 1.00 0.09 C ATOM 416 O VAL A 108 19.204 14.548 10.815 1.00 0.10 O ATOM 417 CB VAL A 108 21.250 16.912 9.760 1.00 0.09 C ATOM 418 CG1 VAL A 108 19.933 17.293 9.054 1.00 0.10 C ATOM 419 CG2 VAL A 108 22.084 18.177 10.030 1.00 0.09 C ATOM 0 H VAL A 108 23.016 16.452 11.473 1.00 0.08 H new ATOM 0 HA VAL A 108 20.217 16.781 11.656 1.00 0.09 H new ATOM 0 HB VAL A 108 21.824 16.243 9.118 1.00 0.09 H new ATOM 0 HG11 VAL A 108 20.157 17.802 8.116 1.00 0.10 H new ATOM 0 HG12 VAL A 108 19.356 16.391 8.849 1.00 0.10 H new ATOM 0 HG13 VAL A 108 19.354 17.956 9.697 1.00 0.10 H new ATOM 0 HG21 VAL A 108 22.302 18.678 9.087 1.00 0.09 H new ATOM 0 HG22 VAL A 108 21.523 18.851 10.677 1.00 0.09 H new ATOM 0 HG23 VAL A 108 23.019 17.899 10.518 1.00 0.09 H new ATOM 429 N MET A 109 21.270 13.921 10.342 1.00 0.09 N ATOM 430 CA MET A 109 20.842 12.552 9.945 1.00 0.10 C ATOM 431 C MET A 109 20.255 11.772 11.137 1.00 0.09 C ATOM 432 O MET A 109 19.406 10.921 10.965 1.00 0.10 O ATOM 433 CB MET A 109 22.039 11.789 9.363 1.00 0.10 C ATOM 434 CG MET A 109 22.565 12.539 8.139 1.00 0.10 C ATOM 435 SD MET A 109 24.189 11.885 7.678 1.00 0.12 S ATOM 436 CE MET A 109 23.604 10.524 6.639 1.00 0.08 C ATOM 0 H MET A 109 22.272 14.095 10.270 1.00 0.09 H new ATOM 0 HA MET A 109 20.060 12.647 9.192 1.00 0.10 H new ATOM 0 HB2 MET A 109 22.825 11.695 10.112 1.00 0.10 H new ATOM 0 HB3 MET A 109 21.741 10.778 9.085 1.00 0.10 H new ATOM 0 HG2 MET A 109 21.869 12.431 7.307 1.00 0.10 H new ATOM 0 HG3 MET A 109 22.639 13.604 8.357 1.00 0.10 H new ATOM 0 HE1 MET A 109 24.375 9.756 6.578 1.00 0.08 H new ATOM 0 HE2 MET A 109 22.700 10.097 7.073 1.00 0.08 H new ATOM 0 HE3 MET A 109 23.384 10.898 5.639 1.00 0.08 H new ATOM 446 N THR A 110 20.714 12.029 12.340 1.00 0.08 N ATOM 447 CA THR A 110 20.195 11.274 13.517 1.00 0.10 C ATOM 448 C THR A 110 18.840 11.864 13.968 1.00 0.15 C ATOM 449 O THR A 110 18.029 11.177 14.557 1.00 0.16 O ATOM 450 CB THR A 110 21.253 11.365 14.649 1.00 0.15 C ATOM 451 OG1 THR A 110 22.328 12.169 14.207 1.00 0.15 O ATOM 452 CG2 THR A 110 21.795 9.969 15.016 1.00 0.18 C ATOM 0 H THR A 110 21.425 12.729 12.553 1.00 0.08 H new ATOM 0 HA THR A 110 20.026 10.228 13.261 1.00 0.10 H new ATOM 0 HB THR A 110 20.781 11.798 15.531 1.00 0.15 H new ATOM 0 HG1 THR A 110 22.806 11.709 13.486 1.00 0.15 H new ATOM 0 HG21 THR A 110 22.534 10.063 15.811 1.00 0.18 H new ATOM 0 HG22 THR A 110 20.974 9.338 15.356 1.00 0.18 H new ATOM 0 HG23 THR A 110 22.260 9.518 14.140 1.00 0.18 H new ATOM 460 N ASN A 111 18.587 13.125 13.708 1.00 0.21 N ATOM 461 CA ASN A 111 17.287 13.736 14.135 1.00 0.29 C ATOM 462 C ASN A 111 16.174 13.366 13.141 1.00 0.30 C ATOM 463 O ASN A 111 15.025 13.232 13.512 1.00 0.35 O ATOM 464 CB ASN A 111 17.429 15.258 14.208 1.00 0.35 C ATOM 465 CG ASN A 111 18.279 15.637 15.423 1.00 0.46 C ATOM 466 OD1 ASN A 111 18.534 16.801 15.660 1.00 1.12 O ATOM 467 ND2 ASN A 111 18.731 14.698 16.209 1.00 0.78 N ATOM 0 H ASN A 111 19.222 13.756 13.220 1.00 0.21 H new ATOM 0 HA ASN A 111 17.024 13.350 15.120 1.00 0.29 H new ATOM 0 HB2 ASN A 111 17.892 15.634 13.296 1.00 0.35 H new ATOM 0 HB3 ASN A 111 16.445 15.722 14.281 1.00 0.35 H new ATOM 0 HD21 ASN A 111 19.298 14.942 17.021 1.00 0.78 H new ATOM 0 HD22 ASN A 111 18.517 13.720 16.011 1.00 0.78 H new ATOM 474 N LEU A 112 16.492 13.225 11.894 1.00 0.28 N ATOM 475 CA LEU A 112 15.442 12.891 10.871 1.00 0.32 C ATOM 476 C LEU A 112 14.826 11.515 11.133 1.00 0.36 C ATOM 477 O LEU A 112 13.921 11.082 10.447 1.00 0.43 O ATOM 478 CB LEU A 112 16.104 12.893 9.485 1.00 0.30 C ATOM 479 CG LEU A 112 16.249 14.340 8.963 1.00 0.29 C ATOM 480 CD1 LEU A 112 17.374 14.412 7.925 1.00 0.22 C ATOM 481 CD2 LEU A 112 14.943 14.807 8.307 1.00 0.45 C ATOM 0 H LEU A 112 17.437 13.325 11.524 1.00 0.28 H new ATOM 0 HA LEU A 112 14.645 13.632 10.927 1.00 0.32 H new ATOM 0 HB2 LEU A 112 17.084 12.420 9.542 1.00 0.30 H new ATOM 0 HB3 LEU A 112 15.506 12.306 8.788 1.00 0.30 H new ATOM 0 HG LEU A 112 16.482 14.986 9.810 1.00 0.29 H new ATOM 0 HD11 LEU A 112 17.469 15.435 7.562 1.00 0.22 H new ATOM 0 HD12 LEU A 112 18.313 14.101 8.383 1.00 0.22 H new ATOM 0 HD13 LEU A 112 17.141 13.751 7.090 1.00 0.22 H new ATOM 0 HD21 LEU A 112 15.063 15.828 7.945 1.00 0.45 H new ATOM 0 HD22 LEU A 112 14.701 14.151 7.471 1.00 0.45 H new ATOM 0 HD23 LEU A 112 14.136 14.774 9.039 1.00 0.45 H new ATOM 493 N GLY A 113 15.268 10.867 12.148 1.00 0.35 N ATOM 494 CA GLY A 113 14.652 9.550 12.489 1.00 0.41 C ATOM 495 C GLY A 113 15.170 8.449 11.574 1.00 0.25 C ATOM 496 O GLY A 113 14.554 7.410 11.447 1.00 0.23 O ATOM 0 H GLY A 113 16.022 11.175 12.762 1.00 0.35 H new ATOM 0 HA2 GLY A 113 14.874 9.299 13.526 1.00 0.41 H new ATOM 0 HA3 GLY A 113 13.568 9.619 12.402 1.00 0.41 H new ATOM 500 N GLU A 114 16.265 8.649 10.917 1.00 0.23 N ATOM 501 CA GLU A 114 16.773 7.599 9.999 1.00 0.16 C ATOM 502 C GLU A 114 17.414 6.501 10.855 1.00 0.17 C ATOM 503 O GLU A 114 18.062 6.778 11.845 1.00 0.30 O ATOM 504 CB GLU A 114 17.860 8.218 9.107 1.00 0.31 C ATOM 505 CG GLU A 114 17.215 9.141 8.067 1.00 0.32 C ATOM 506 CD GLU A 114 16.442 8.302 7.047 1.00 1.29 C ATOM 507 OE1 GLU A 114 16.744 7.126 6.926 1.00 1.69 O ATOM 508 OE2 GLU A 114 15.563 8.850 6.402 1.00 2.29 O ATOM 0 H GLU A 114 16.834 9.493 10.973 1.00 0.23 H new ATOM 0 HA GLU A 114 15.968 7.194 9.386 1.00 0.16 H new ATOM 0 HB2 GLU A 114 18.567 8.780 9.717 1.00 0.31 H new ATOM 0 HB3 GLU A 114 18.425 7.431 8.608 1.00 0.31 H new ATOM 0 HG2 GLU A 114 16.543 9.845 8.558 1.00 0.32 H new ATOM 0 HG3 GLU A 114 17.981 9.730 7.563 1.00 0.32 H new ATOM 515 N LYS A 115 17.219 5.242 10.490 1.00 0.05 N ATOM 516 CA LYS A 115 17.790 4.119 11.289 1.00 0.07 C ATOM 517 C LYS A 115 19.020 3.585 10.592 1.00 0.16 C ATOM 518 O LYS A 115 19.146 2.414 10.291 1.00 0.16 O ATOM 519 CB LYS A 115 16.770 3.011 11.489 1.00 0.13 C ATOM 520 CG LYS A 115 15.637 3.513 12.386 1.00 0.23 C ATOM 521 CD LYS A 115 14.611 2.396 12.586 1.00 0.62 C ATOM 522 CE LYS A 115 13.477 2.901 13.481 1.00 0.67 C ATOM 523 NZ LYS A 115 12.754 4.007 12.791 1.00 1.51 N ATOM 0 H LYS A 115 16.686 4.956 9.669 1.00 0.05 H new ATOM 0 HA LYS A 115 18.064 4.495 12.275 1.00 0.07 H new ATOM 0 HB2 LYS A 115 16.371 2.692 10.526 1.00 0.13 H new ATOM 0 HB3 LYS A 115 17.247 2.141 11.941 1.00 0.13 H new ATOM 0 HG2 LYS A 115 16.036 3.832 13.349 1.00 0.23 H new ATOM 0 HG3 LYS A 115 15.160 4.383 11.935 1.00 0.23 H new ATOM 0 HD2 LYS A 115 14.214 2.076 11.623 1.00 0.62 H new ATOM 0 HD3 LYS A 115 15.087 1.527 13.039 1.00 0.62 H new ATOM 0 HE2 LYS A 115 12.788 2.087 13.707 1.00 0.67 H new ATOM 0 HE3 LYS A 115 13.879 3.252 14.432 1.00 0.67 H new ATOM 0 HZ1 LYS A 115 11.805 4.111 13.203 1.00 1.51 H new ATOM 0 HZ2 LYS A 115 13.282 4.895 12.910 1.00 1.51 H new ATOM 0 HZ3 LYS A 115 12.670 3.788 11.778 1.00 1.51 H new ATOM 537 N LEU A 116 19.943 4.454 10.395 1.00 0.29 N ATOM 538 CA LEU A 116 21.239 4.102 9.783 1.00 0.43 C ATOM 539 C LEU A 116 22.187 4.038 11.002 1.00 0.31 C ATOM 540 O LEU A 116 22.098 4.840 11.910 1.00 0.48 O ATOM 541 CB LEU A 116 21.542 5.169 8.689 1.00 0.69 C ATOM 542 CG LEU A 116 22.874 5.830 8.904 1.00 2.59 C ATOM 543 CD1 LEU A 116 23.971 4.796 8.598 1.00 3.39 C ATOM 544 CD2 LEU A 116 23.009 7.073 7.971 1.00 3.77 C ATOM 0 H LEU A 116 19.853 5.439 10.642 1.00 0.29 H new ATOM 0 HA LEU A 116 21.314 3.157 9.246 1.00 0.43 H new ATOM 0 HB2 LEU A 116 21.526 4.697 7.707 1.00 0.69 H new ATOM 0 HB3 LEU A 116 20.757 5.925 8.692 1.00 0.69 H new ATOM 0 HG LEU A 116 22.969 6.175 9.933 1.00 2.59 H new ATOM 0 HD11 LEU A 116 24.951 5.250 8.746 1.00 3.39 H new ATOM 0 HD12 LEU A 116 23.862 3.942 9.266 1.00 3.39 H new ATOM 0 HD13 LEU A 116 23.878 4.462 7.564 1.00 3.39 H new ATOM 0 HD21 LEU A 116 23.977 7.546 8.133 1.00 3.77 H new ATOM 0 HD22 LEU A 116 22.929 6.758 6.931 1.00 3.77 H new ATOM 0 HD23 LEU A 116 22.215 7.785 8.196 1.00 3.77 H new ATOM 556 N THR A 117 23.035 3.038 11.060 1.00 0.28 N ATOM 557 CA THR A 117 23.921 2.862 12.263 1.00 0.13 C ATOM 558 C THR A 117 25.150 3.784 12.247 1.00 0.22 C ATOM 559 O THR A 117 25.544 4.300 11.230 1.00 0.25 O ATOM 560 CB THR A 117 24.397 1.407 12.319 1.00 0.09 C ATOM 561 OG1 THR A 117 24.933 1.037 11.056 1.00 0.18 O ATOM 562 CG2 THR A 117 23.220 0.492 12.666 1.00 0.30 C ATOM 0 H THR A 117 23.154 2.336 10.330 1.00 0.28 H new ATOM 0 HA THR A 117 23.330 3.126 13.140 1.00 0.13 H new ATOM 0 HB THR A 117 25.167 1.307 13.084 1.00 0.09 H new ATOM 0 HG1 THR A 117 25.240 0.107 11.091 1.00 0.18 H new ATOM 0 HG21 THR A 117 23.562 -0.542 12.705 1.00 0.30 H new ATOM 0 HG22 THR A 117 22.812 0.776 13.636 1.00 0.30 H new ATOM 0 HG23 THR A 117 22.446 0.590 11.904 1.00 0.30 H new ATOM 570 N ASP A 118 25.755 3.981 13.398 1.00 0.30 N ATOM 571 CA ASP A 118 26.956 4.871 13.492 1.00 0.39 C ATOM 572 C ASP A 118 28.072 4.339 12.575 1.00 0.35 C ATOM 573 O ASP A 118 28.766 5.106 11.937 1.00 0.38 O ATOM 574 CB ASP A 118 27.456 4.915 14.941 1.00 0.47 C ATOM 575 CG ASP A 118 26.476 5.721 15.797 1.00 0.45 C ATOM 576 OD1 ASP A 118 25.802 6.577 15.248 1.00 1.60 O ATOM 577 OD2 ASP A 118 26.418 5.470 16.990 1.00 0.69 O ATOM 0 H ASP A 118 25.465 3.560 14.280 1.00 0.30 H new ATOM 0 HA ASP A 118 26.681 5.877 13.176 1.00 0.39 H new ATOM 0 HB2 ASP A 118 27.551 3.903 15.335 1.00 0.47 H new ATOM 0 HB3 ASP A 118 28.447 5.367 14.981 1.00 0.47 H new ATOM 582 N GLU A 119 28.280 3.043 12.518 1.00 0.29 N ATOM 583 CA GLU A 119 29.385 2.517 11.656 1.00 0.26 C ATOM 584 C GLU A 119 29.048 2.821 10.201 1.00 0.24 C ATOM 585 O GLU A 119 29.837 3.400 9.480 1.00 0.32 O ATOM 586 CB GLU A 119 29.544 1.008 11.859 1.00 0.24 C ATOM 587 CG GLU A 119 30.110 0.728 13.255 1.00 0.29 C ATOM 588 CD GLU A 119 29.053 1.050 14.314 1.00 0.96 C ATOM 589 OE1 GLU A 119 27.890 1.137 13.955 1.00 1.48 O ATOM 590 OE2 GLU A 119 29.424 1.200 15.466 1.00 1.75 O ATOM 0 H GLU A 119 27.742 2.338 13.022 1.00 0.29 H new ATOM 0 HA GLU A 119 30.326 2.995 11.927 1.00 0.26 H new ATOM 0 HB2 GLU A 119 28.580 0.513 11.741 1.00 0.24 H new ATOM 0 HB3 GLU A 119 30.208 0.598 11.098 1.00 0.24 H new ATOM 0 HG2 GLU A 119 30.411 -0.317 13.333 1.00 0.29 H new ATOM 0 HG3 GLU A 119 31.003 1.330 13.424 1.00 0.29 H new ATOM 597 N GLU A 120 27.872 2.467 9.762 1.00 0.22 N ATOM 598 CA GLU A 120 27.490 2.774 8.359 1.00 0.23 C ATOM 599 C GLU A 120 27.745 4.268 8.121 1.00 0.25 C ATOM 600 O GLU A 120 28.298 4.654 7.112 1.00 0.32 O ATOM 601 CB GLU A 120 26.011 2.442 8.157 1.00 0.23 C ATOM 602 CG GLU A 120 25.844 0.942 7.897 1.00 0.24 C ATOM 603 CD GLU A 120 24.363 0.620 7.693 1.00 0.35 C ATOM 604 OE1 GLU A 120 23.547 1.489 7.952 1.00 0.62 O ATOM 605 OE2 GLU A 120 24.069 -0.490 7.280 1.00 0.68 O ATOM 0 H GLU A 120 27.164 1.981 10.312 1.00 0.22 H new ATOM 0 HA GLU A 120 28.074 2.183 7.654 1.00 0.23 H new ATOM 0 HB2 GLU A 120 25.440 2.733 9.039 1.00 0.23 H new ATOM 0 HB3 GLU A 120 25.613 3.012 7.318 1.00 0.23 H new ATOM 0 HG2 GLU A 120 26.415 0.649 7.016 1.00 0.24 H new ATOM 0 HG3 GLU A 120 26.239 0.371 8.737 1.00 0.24 H new ATOM 612 N VAL A 121 27.382 5.115 9.060 1.00 0.19 N ATOM 613 CA VAL A 121 27.657 6.571 8.873 1.00 0.19 C ATOM 614 C VAL A 121 29.164 6.745 8.723 1.00 0.20 C ATOM 615 O VAL A 121 29.633 7.449 7.851 1.00 0.23 O ATOM 616 CB VAL A 121 27.200 7.402 10.090 1.00 0.18 C ATOM 617 CG1 VAL A 121 27.690 8.850 9.925 1.00 0.44 C ATOM 618 CG2 VAL A 121 25.669 7.394 10.207 1.00 0.44 C ATOM 0 H VAL A 121 26.916 4.863 9.931 1.00 0.19 H new ATOM 0 HA VAL A 121 27.110 6.917 7.996 1.00 0.19 H new ATOM 0 HB VAL A 121 27.622 6.963 10.994 1.00 0.18 H new ATOM 0 HG11 VAL A 121 27.370 9.442 10.782 1.00 0.44 H new ATOM 0 HG12 VAL A 121 28.778 8.861 9.862 1.00 0.44 H new ATOM 0 HG13 VAL A 121 27.270 9.275 9.013 1.00 0.44 H new ATOM 0 HG21 VAL A 121 25.367 7.985 11.071 1.00 0.44 H new ATOM 0 HG22 VAL A 121 25.233 7.822 9.304 1.00 0.44 H new ATOM 0 HG23 VAL A 121 25.319 6.369 10.329 1.00 0.44 H new ATOM 628 N ASP A 122 29.929 6.111 9.563 1.00 0.18 N ATOM 629 CA ASP A 122 31.404 6.238 9.472 1.00 0.18 C ATOM 630 C ASP A 122 31.877 5.741 8.097 1.00 0.19 C ATOM 631 O ASP A 122 32.739 6.334 7.478 1.00 0.22 O ATOM 632 CB ASP A 122 32.065 5.405 10.578 1.00 0.21 C ATOM 633 CG ASP A 122 31.833 6.078 11.932 1.00 0.33 C ATOM 634 OD1 ASP A 122 31.539 7.261 11.941 1.00 1.29 O ATOM 635 OD2 ASP A 122 31.953 5.396 12.937 1.00 0.80 O ATOM 0 H ASP A 122 29.592 5.507 10.313 1.00 0.18 H new ATOM 0 HA ASP A 122 31.685 7.284 9.596 1.00 0.18 H new ATOM 0 HB2 ASP A 122 31.651 4.397 10.585 1.00 0.21 H new ATOM 0 HB3 ASP A 122 33.134 5.309 10.386 1.00 0.21 H new ATOM 640 N GLU A 123 31.295 4.677 7.596 1.00 0.18 N ATOM 641 CA GLU A 123 31.683 4.169 6.244 1.00 0.19 C ATOM 642 C GLU A 123 31.273 5.226 5.208 1.00 0.17 C ATOM 643 O GLU A 123 32.011 5.515 4.287 1.00 0.18 O ATOM 644 CB GLU A 123 30.946 2.845 5.960 1.00 0.20 C ATOM 645 CG GLU A 123 31.775 1.660 6.474 1.00 1.72 C ATOM 646 CD GLU A 123 30.939 0.383 6.390 1.00 2.29 C ATOM 647 OE1 GLU A 123 29.738 0.497 6.210 1.00 3.19 O ATOM 648 OE2 GLU A 123 31.514 -0.686 6.508 1.00 2.51 O ATOM 0 H GLU A 123 30.567 4.139 8.067 1.00 0.18 H new ATOM 0 HA GLU A 123 32.757 3.988 6.196 1.00 0.19 H new ATOM 0 HB2 GLU A 123 29.969 2.852 6.443 1.00 0.20 H new ATOM 0 HB3 GLU A 123 30.771 2.739 4.889 1.00 0.20 H new ATOM 0 HG2 GLU A 123 32.684 1.553 5.881 1.00 1.72 H new ATOM 0 HG3 GLU A 123 32.085 1.838 7.504 1.00 1.72 H new ATOM 655 N MET A 124 30.120 5.821 5.355 1.00 0.14 N ATOM 656 CA MET A 124 29.703 6.870 4.378 1.00 0.12 C ATOM 657 C MET A 124 30.608 8.085 4.536 1.00 0.09 C ATOM 658 O MET A 124 30.857 8.818 3.600 1.00 0.09 O ATOM 659 CB MET A 124 28.249 7.253 4.616 1.00 0.11 C ATOM 660 CG MET A 124 27.354 6.030 4.400 1.00 0.17 C ATOM 661 SD MET A 124 25.712 6.360 5.086 1.00 1.63 S ATOM 662 CE MET A 124 24.966 4.765 4.670 1.00 1.81 C ATOM 0 H MET A 124 29.453 5.629 6.102 1.00 0.14 H new ATOM 0 HA MET A 124 29.794 6.485 3.362 1.00 0.12 H new ATOM 0 HB2 MET A 124 28.124 7.633 5.630 1.00 0.11 H new ATOM 0 HB3 MET A 124 27.958 8.054 3.937 1.00 0.11 H new ATOM 0 HG2 MET A 124 27.278 5.805 3.336 1.00 0.17 H new ATOM 0 HG3 MET A 124 27.792 5.155 4.880 1.00 0.17 H new ATOM 0 HE1 MET A 124 23.930 4.748 5.009 1.00 1.81 H new ATOM 0 HE2 MET A 124 24.997 4.619 3.590 1.00 1.81 H new ATOM 0 HE3 MET A 124 25.521 3.965 5.160 1.00 1.81 H new ATOM 672 N ILE A 125 31.111 8.294 5.717 1.00 0.09 N ATOM 673 CA ILE A 125 32.012 9.453 5.936 1.00 0.07 C ATOM 674 C ILE A 125 33.403 9.174 5.342 1.00 0.08 C ATOM 675 O ILE A 125 34.014 10.042 4.751 1.00 0.08 O ATOM 676 CB ILE A 125 32.127 9.740 7.444 1.00 0.07 C ATOM 677 CG1 ILE A 125 30.837 10.424 7.928 1.00 0.06 C ATOM 678 CG2 ILE A 125 33.336 10.653 7.720 1.00 0.09 C ATOM 679 CD1 ILE A 125 30.837 10.509 9.458 1.00 0.07 C ATOM 0 H ILE A 125 30.938 7.714 6.538 1.00 0.09 H new ATOM 0 HA ILE A 125 31.594 10.326 5.435 1.00 0.07 H new ATOM 0 HB ILE A 125 32.268 8.801 7.980 1.00 0.07 H new ATOM 0 HG12 ILE A 125 30.761 11.423 7.499 1.00 0.06 H new ATOM 0 HG13 ILE A 125 29.967 9.864 7.586 1.00 0.06 H new ATOM 0 HG21 ILE A 125 33.407 10.849 8.790 1.00 0.09 H new ATOM 0 HG22 ILE A 125 34.248 10.162 7.380 1.00 0.09 H new ATOM 0 HG23 ILE A 125 33.210 11.595 7.186 1.00 0.09 H new ATOM 0 HD11 ILE A 125 29.921 10.994 9.795 1.00 0.07 H new ATOM 0 HD12 ILE A 125 30.892 9.505 9.878 1.00 0.07 H new ATOM 0 HD13 ILE A 125 31.698 11.089 9.790 1.00 0.07 H new ATOM 691 N ARG A 126 33.918 7.987 5.514 1.00 0.13 N ATOM 692 CA ARG A 126 35.282 7.690 4.978 1.00 0.15 C ATOM 693 C ARG A 126 35.268 7.800 3.452 1.00 0.10 C ATOM 694 O ARG A 126 36.228 8.250 2.860 1.00 0.09 O ATOM 695 CB ARG A 126 35.719 6.277 5.400 1.00 0.22 C ATOM 696 CG ARG A 126 36.278 6.304 6.829 1.00 0.47 C ATOM 697 CD ARG A 126 36.771 4.906 7.208 1.00 0.81 C ATOM 698 NE ARG A 126 35.636 3.943 7.145 1.00 1.67 N ATOM 699 CZ ARG A 126 35.872 2.660 7.121 1.00 2.87 C ATOM 700 NH1 ARG A 126 37.101 2.222 7.159 1.00 4.42 N ATOM 701 NH2 ARG A 126 34.880 1.814 7.062 1.00 3.16 N ATOM 0 H ARG A 126 33.460 7.215 5.998 1.00 0.13 H new ATOM 0 HA ARG A 126 35.991 8.411 5.384 1.00 0.15 H new ATOM 0 HB2 ARG A 126 34.871 5.594 5.345 1.00 0.22 H new ATOM 0 HB3 ARG A 126 36.476 5.901 4.712 1.00 0.22 H new ATOM 0 HG2 ARG A 126 37.096 7.021 6.898 1.00 0.47 H new ATOM 0 HG3 ARG A 126 35.507 6.631 7.527 1.00 0.47 H new ATOM 0 HD2 ARG A 126 37.565 4.593 6.530 1.00 0.81 H new ATOM 0 HD3 ARG A 126 37.195 4.919 8.212 1.00 0.81 H new ATOM 0 HE ARG A 126 34.676 4.286 7.121 1.00 1.67 H new ATOM 0 HH11 ARG A 126 37.877 2.883 7.207 1.00 4.42 H new ATOM 0 HH12 ARG A 126 37.286 1.219 7.140 1.00 4.42 H new ATOM 0 HH21 ARG A 126 33.919 2.156 7.035 1.00 3.16 H new ATOM 0 HH22 ARG A 126 35.065 0.811 7.043 1.00 3.16 H new ATOM 715 N GLU A 127 34.211 7.394 2.791 1.00 0.11 N ATOM 716 CA GLU A 127 34.191 7.486 1.305 1.00 0.09 C ATOM 717 C GLU A 127 33.914 8.953 0.907 1.00 0.09 C ATOM 718 O GLU A 127 34.274 9.384 -0.171 1.00 0.12 O ATOM 719 CB GLU A 127 33.096 6.565 0.730 1.00 0.16 C ATOM 720 CG GLU A 127 33.605 5.121 0.691 1.00 0.26 C ATOM 721 CD GLU A 127 32.519 4.212 0.114 1.00 0.81 C ATOM 722 OE1 GLU A 127 31.402 4.680 -0.040 1.00 1.95 O ATOM 723 OE2 GLU A 127 32.821 3.063 -0.165 1.00 0.98 O ATOM 0 H GLU A 127 33.369 7.006 3.216 1.00 0.11 H new ATOM 0 HA GLU A 127 35.152 7.167 0.902 1.00 0.09 H new ATOM 0 HB2 GLU A 127 32.196 6.627 1.342 1.00 0.16 H new ATOM 0 HB3 GLU A 127 32.822 6.892 -0.273 1.00 0.16 H new ATOM 0 HG2 GLU A 127 34.507 5.059 0.083 1.00 0.26 H new ATOM 0 HG3 GLU A 127 33.874 4.792 1.695 1.00 0.26 H new ATOM 730 N ALA A 128 33.339 9.738 1.787 1.00 0.08 N ATOM 731 CA ALA A 128 33.107 11.172 1.507 1.00 0.11 C ATOM 732 C ALA A 128 34.355 11.924 1.987 1.00 0.11 C ATOM 733 O ALA A 128 35.007 11.470 2.907 1.00 0.09 O ATOM 734 CB ALA A 128 31.893 11.637 2.358 1.00 0.11 C ATOM 0 H ALA A 128 33.018 9.429 2.704 1.00 0.08 H new ATOM 0 HA ALA A 128 32.917 11.353 0.449 1.00 0.11 H new ATOM 0 HB1 ALA A 128 31.700 12.693 2.170 1.00 0.11 H new ATOM 0 HB2 ALA A 128 31.013 11.053 2.086 1.00 0.11 H new ATOM 0 HB3 ALA A 128 32.113 11.491 3.416 1.00 0.11 H new ATOM 740 N ASP A 129 34.713 13.043 1.433 1.00 0.15 N ATOM 741 CA ASP A 129 35.922 13.759 1.928 1.00 0.20 C ATOM 742 C ASP A 129 35.453 14.637 3.069 1.00 0.20 C ATOM 743 O ASP A 129 34.643 15.528 2.911 1.00 0.24 O ATOM 744 CB ASP A 129 36.539 14.596 0.805 1.00 0.28 C ATOM 745 CG ASP A 129 35.428 15.158 -0.084 1.00 1.08 C ATOM 746 OD1 ASP A 129 34.654 14.369 -0.601 1.00 1.71 O ATOM 747 OD2 ASP A 129 35.370 16.367 -0.234 1.00 1.93 O ATOM 0 H ASP A 129 34.224 13.495 0.660 1.00 0.15 H new ATOM 0 HA ASP A 129 36.693 13.065 2.263 1.00 0.20 H new ATOM 0 HB2 ASP A 129 37.129 15.410 1.226 1.00 0.28 H new ATOM 0 HB3 ASP A 129 37.219 13.984 0.212 1.00 0.28 H new ATOM 752 N ILE A 130 35.927 14.308 4.240 1.00 0.18 N ATOM 753 CA ILE A 130 35.481 15.029 5.454 1.00 0.19 C ATOM 754 C ILE A 130 36.626 15.381 6.437 1.00 0.30 C ATOM 755 O ILE A 130 37.067 16.512 6.480 1.00 0.45 O ATOM 756 CB ILE A 130 34.372 14.171 6.101 1.00 0.09 C ATOM 757 CG1 ILE A 130 33.300 13.913 5.017 1.00 0.10 C ATOM 758 CG2 ILE A 130 33.796 14.931 7.295 1.00 0.06 C ATOM 759 CD1 ILE A 130 32.006 13.313 5.596 1.00 0.13 C ATOM 0 H ILE A 130 36.608 13.566 4.403 1.00 0.18 H new ATOM 0 HA ILE A 130 35.094 16.009 5.173 1.00 0.19 H new ATOM 0 HB ILE A 130 34.751 13.216 6.466 1.00 0.09 H new ATOM 0 HG12 ILE A 130 33.067 14.850 4.511 1.00 0.10 H new ATOM 0 HG13 ILE A 130 33.705 13.236 4.264 1.00 0.10 H new ATOM 0 HG21 ILE A 130 33.011 14.335 7.761 1.00 0.06 H new ATOM 0 HG22 ILE A 130 34.587 15.121 8.021 1.00 0.06 H new ATOM 0 HG23 ILE A 130 33.379 15.879 6.956 1.00 0.06 H new ATOM 0 HD11 ILE A 130 31.288 13.152 4.792 1.00 0.13 H new ATOM 0 HD12 ILE A 130 32.230 12.361 6.078 1.00 0.13 H new ATOM 0 HD13 ILE A 130 31.582 14.000 6.329 1.00 0.13 H new ATOM 771 N ASP A 131 37.116 14.456 7.224 1.00 0.31 N ATOM 772 CA ASP A 131 38.213 14.822 8.160 1.00 0.41 C ATOM 773 C ASP A 131 39.464 14.832 7.305 1.00 0.65 C ATOM 774 O ASP A 131 39.903 13.844 6.749 1.00 0.73 O ATOM 775 CB ASP A 131 38.414 13.851 9.329 1.00 0.32 C ATOM 776 CG ASP A 131 39.056 14.589 10.509 1.00 0.39 C ATOM 777 OD1 ASP A 131 39.561 15.679 10.296 1.00 1.08 O ATOM 778 OD2 ASP A 131 39.033 14.050 11.603 1.00 1.15 O ATOM 0 H ASP A 131 36.809 13.484 7.257 1.00 0.31 H new ATOM 0 HA ASP A 131 37.973 15.776 8.631 1.00 0.41 H new ATOM 0 HB2 ASP A 131 37.456 13.427 9.631 1.00 0.32 H new ATOM 0 HB3 ASP A 131 39.048 13.020 9.019 1.00 0.32 H new ATOM 783 N GLY A 132 39.967 15.973 7.185 1.00 0.76 N ATOM 784 CA GLY A 132 41.159 16.261 6.354 1.00 1.00 C ATOM 785 C GLY A 132 40.910 17.595 5.649 1.00 0.97 C ATOM 786 O GLY A 132 41.767 18.140 4.981 1.00 1.15 O ATOM 0 H GLY A 132 39.591 16.797 7.654 1.00 0.76 H new ATOM 0 HA2 GLY A 132 42.055 16.315 6.973 1.00 1.00 H new ATOM 0 HA3 GLY A 132 41.321 15.466 5.626 1.00 1.00 H new ATOM 790 N ASP A 133 39.701 18.106 5.786 1.00 0.75 N ATOM 791 CA ASP A 133 39.287 19.388 5.137 1.00 0.73 C ATOM 792 C ASP A 133 38.389 20.232 6.080 1.00 0.44 C ATOM 793 O ASP A 133 38.476 21.444 6.084 1.00 0.36 O ATOM 794 CB ASP A 133 38.483 19.053 3.878 1.00 0.86 C ATOM 795 CG ASP A 133 39.412 18.443 2.826 1.00 1.64 C ATOM 796 OD1 ASP A 133 40.611 18.638 2.938 1.00 2.01 O ATOM 797 OD2 ASP A 133 38.908 17.791 1.926 1.00 2.49 O ATOM 0 H ASP A 133 38.966 17.667 6.340 1.00 0.75 H new ATOM 0 HA ASP A 133 40.182 19.964 4.900 1.00 0.73 H new ATOM 0 HB2 ASP A 133 37.682 18.354 4.120 1.00 0.86 H new ATOM 0 HB3 ASP A 133 38.012 19.954 3.484 1.00 0.86 H new ATOM 802 N GLY A 134 37.588 19.614 6.933 1.00 0.31 N ATOM 803 CA GLY A 134 36.772 20.406 7.930 1.00 0.06 C ATOM 804 C GLY A 134 35.276 20.508 7.565 1.00 0.07 C ATOM 805 O GLY A 134 34.443 20.150 8.374 1.00 0.14 O ATOM 0 H GLY A 134 37.465 18.603 6.982 1.00 0.31 H new ATOM 0 HA2 GLY A 134 36.867 19.944 8.913 1.00 0.06 H new ATOM 0 HA3 GLY A 134 37.187 21.411 8.009 1.00 0.06 H new ATOM 809 N GLN A 135 34.904 21.025 6.411 1.00 0.08 N ATOM 810 CA GLN A 135 33.431 21.175 6.096 1.00 0.14 C ATOM 811 C GLN A 135 33.011 20.307 4.900 1.00 0.15 C ATOM 812 O GLN A 135 33.745 20.162 3.943 1.00 0.19 O ATOM 813 CB GLN A 135 33.142 22.641 5.766 1.00 0.20 C ATOM 814 CG GLN A 135 33.678 23.542 6.886 1.00 0.36 C ATOM 815 CD GLN A 135 33.015 24.919 6.799 1.00 0.49 C ATOM 816 OE1 GLN A 135 32.976 25.521 5.745 1.00 0.61 O ATOM 817 NE2 GLN A 135 32.489 25.445 7.871 1.00 1.71 N ATOM 0 H GLN A 135 35.541 21.346 5.682 1.00 0.08 H new ATOM 0 HA GLN A 135 32.864 20.849 6.968 1.00 0.14 H new ATOM 0 HB2 GLN A 135 33.608 22.908 4.818 1.00 0.20 H new ATOM 0 HB3 GLN A 135 32.069 22.792 5.648 1.00 0.20 H new ATOM 0 HG2 GLN A 135 33.476 23.091 7.857 1.00 0.36 H new ATOM 0 HG3 GLN A 135 34.760 23.642 6.800 1.00 0.36 H new ATOM 0 HE21 GLN A 135 32.522 24.939 8.756 1.00 1.71 H new ATOM 0 HE22 GLN A 135 32.045 26.362 7.824 1.00 1.71 H new ATOM 826 N VAL A 136 31.835 19.727 4.957 1.00 0.20 N ATOM 827 CA VAL A 136 31.351 18.853 3.830 1.00 0.21 C ATOM 828 C VAL A 136 30.104 19.460 3.193 1.00 0.30 C ATOM 829 O VAL A 136 29.253 20.005 3.869 1.00 0.35 O ATOM 830 CB VAL A 136 30.993 17.452 4.361 1.00 0.14 C ATOM 831 CG1 VAL A 136 31.083 16.409 3.236 1.00 0.12 C ATOM 832 CG2 VAL A 136 31.952 17.061 5.482 1.00 0.09 C ATOM 0 H VAL A 136 31.184 19.819 5.737 1.00 0.20 H new ATOM 0 HA VAL A 136 32.148 18.778 3.090 1.00 0.21 H new ATOM 0 HB VAL A 136 29.972 17.480 4.741 1.00 0.14 H new ATOM 0 HG11 VAL A 136 30.827 15.426 3.630 1.00 0.12 H new ATOM 0 HG12 VAL A 136 30.388 16.673 2.439 1.00 0.12 H new ATOM 0 HG13 VAL A 136 32.098 16.388 2.840 1.00 0.12 H new ATOM 0 HG21 VAL A 136 31.693 16.069 5.853 1.00 0.09 H new ATOM 0 HG22 VAL A 136 32.973 17.051 5.100 1.00 0.09 H new ATOM 0 HG23 VAL A 136 31.876 17.784 6.295 1.00 0.09 H new ATOM 842 N ASN A 137 29.953 19.312 1.908 1.00 0.35 N ATOM 843 CA ASN A 137 28.739 19.808 1.256 1.00 0.46 C ATOM 844 C ASN A 137 27.642 18.765 1.471 1.00 0.46 C ATOM 845 O ASN A 137 27.696 17.672 0.944 1.00 0.77 O ATOM 846 CB ASN A 137 28.998 19.997 -0.226 1.00 0.55 C ATOM 847 CG ASN A 137 29.873 18.856 -0.744 1.00 1.43 C ATOM 848 OD1 ASN A 137 30.079 17.874 -0.057 1.00 1.43 O ATOM 849 ND2 ASN A 137 30.402 18.941 -1.933 1.00 2.45 N ATOM 0 H ASN A 137 30.629 18.865 1.289 1.00 0.35 H new ATOM 0 HA ASN A 137 28.437 20.768 1.675 1.00 0.46 H new ATOM 0 HB2 ASN A 137 28.054 20.020 -0.770 1.00 0.55 H new ATOM 0 HB3 ASN A 137 29.490 20.954 -0.400 1.00 0.55 H new ATOM 0 HD21 ASN A 137 30.988 18.184 -2.286 1.00 2.45 H new ATOM 0 HD22 ASN A 137 30.230 19.764 -2.510 1.00 2.45 H new ATOM 856 N TYR A 138 26.703 19.066 2.296 1.00 0.42 N ATOM 857 CA TYR A 138 25.639 18.084 2.643 1.00 0.38 C ATOM 858 C TYR A 138 24.848 17.622 1.415 1.00 0.37 C ATOM 859 O TYR A 138 24.185 16.608 1.459 1.00 0.31 O ATOM 860 CB TYR A 138 24.684 18.713 3.670 1.00 0.43 C ATOM 861 CG TYR A 138 24.068 19.971 3.101 1.00 0.33 C ATOM 862 CD1 TYR A 138 22.963 19.883 2.253 1.00 1.03 C ATOM 863 CD2 TYR A 138 24.608 21.222 3.411 1.00 0.99 C ATOM 864 CE1 TYR A 138 22.392 21.038 1.717 1.00 0.86 C ATOM 865 CE2 TYR A 138 24.046 22.380 2.873 1.00 1.16 C ATOM 866 CZ TYR A 138 22.933 22.291 2.026 1.00 0.40 C ATOM 867 OH TYR A 138 22.377 23.436 1.491 1.00 0.53 O ATOM 0 H TYR A 138 26.616 19.970 2.761 1.00 0.42 H new ATOM 0 HA TYR A 138 26.125 17.203 3.064 1.00 0.38 H new ATOM 0 HB2 TYR A 138 23.901 18.002 3.934 1.00 0.43 H new ATOM 0 HB3 TYR A 138 25.225 18.946 4.587 1.00 0.43 H new ATOM 0 HD1 TYR A 138 22.548 18.916 2.010 1.00 1.03 H new ATOM 0 HD2 TYR A 138 25.462 21.293 4.068 1.00 0.99 H new ATOM 0 HE1 TYR A 138 21.534 20.965 1.065 1.00 0.86 H new ATOM 0 HE2 TYR A 138 24.469 23.345 3.109 1.00 1.16 H new ATOM 0 HH TYR A 138 22.873 24.219 1.808 1.00 0.53 H new ATOM 877 N GLU A 139 24.869 18.348 0.339 1.00 0.47 N ATOM 878 CA GLU A 139 24.063 17.923 -0.835 1.00 0.48 C ATOM 879 C GLU A 139 24.451 16.505 -1.301 1.00 0.39 C ATOM 880 O GLU A 139 23.594 15.724 -1.663 1.00 0.35 O ATOM 881 CB GLU A 139 24.264 18.930 -1.975 1.00 0.52 C ATOM 882 CG GLU A 139 23.069 18.876 -2.923 1.00 1.36 C ATOM 883 CD GLU A 139 23.277 19.869 -4.068 1.00 1.39 C ATOM 884 OE1 GLU A 139 24.202 20.659 -3.981 1.00 0.77 O ATOM 885 OE2 GLU A 139 22.507 19.821 -5.014 1.00 2.90 O ATOM 0 H GLU A 139 25.403 19.209 0.220 1.00 0.47 H new ATOM 0 HA GLU A 139 23.013 17.897 -0.545 1.00 0.48 H new ATOM 0 HB2 GLU A 139 24.374 19.936 -1.570 1.00 0.52 H new ATOM 0 HB3 GLU A 139 25.182 18.702 -2.517 1.00 0.52 H new ATOM 0 HG2 GLU A 139 22.952 17.867 -3.320 1.00 1.36 H new ATOM 0 HG3 GLU A 139 22.153 19.115 -2.383 1.00 1.36 H new ATOM 892 N GLU A 140 25.716 16.153 -1.314 1.00 0.40 N ATOM 893 CA GLU A 140 26.112 14.782 -1.775 1.00 0.34 C ATOM 894 C GLU A 140 25.594 13.730 -0.790 1.00 0.33 C ATOM 895 O GLU A 140 25.180 12.657 -1.180 1.00 0.31 O ATOM 896 CB GLU A 140 27.638 14.693 -1.865 1.00 0.37 C ATOM 897 CG GLU A 140 28.152 15.723 -2.873 1.00 1.00 C ATOM 898 CD GLU A 140 29.677 15.635 -2.962 1.00 1.49 C ATOM 899 OE1 GLU A 140 30.275 15.099 -2.044 1.00 1.46 O ATOM 900 OE2 GLU A 140 30.221 16.107 -3.947 1.00 2.77 O ATOM 0 H GLU A 140 26.489 16.753 -1.026 1.00 0.40 H new ATOM 0 HA GLU A 140 25.678 14.596 -2.757 1.00 0.34 H new ATOM 0 HB2 GLU A 140 28.082 14.874 -0.886 1.00 0.37 H new ATOM 0 HB3 GLU A 140 27.937 13.690 -2.170 1.00 0.37 H new ATOM 0 HG2 GLU A 140 27.709 15.541 -3.852 1.00 1.00 H new ATOM 0 HG3 GLU A 140 27.852 16.726 -2.569 1.00 1.00 H new ATOM 907 N PHE A 141 25.606 14.027 0.484 1.00 0.36 N ATOM 908 CA PHE A 141 25.102 13.034 1.480 1.00 0.36 C ATOM 909 C PHE A 141 23.577 12.907 1.317 1.00 0.36 C ATOM 910 O PHE A 141 23.018 11.845 1.493 1.00 0.38 O ATOM 911 CB PHE A 141 25.487 13.484 2.917 1.00 0.37 C ATOM 912 CG PHE A 141 26.597 12.601 3.484 1.00 0.28 C ATOM 913 CD1 PHE A 141 26.274 11.367 4.068 1.00 0.35 C ATOM 914 CD2 PHE A 141 27.940 13.018 3.442 1.00 0.13 C ATOM 915 CE1 PHE A 141 27.286 10.558 4.610 1.00 0.27 C ATOM 916 CE2 PHE A 141 28.945 12.197 3.984 1.00 0.04 C ATOM 917 CZ PHE A 141 28.614 10.978 4.565 1.00 0.12 C ATOM 0 H PHE A 141 25.940 14.907 0.876 1.00 0.36 H new ATOM 0 HA PHE A 141 25.556 12.058 1.310 1.00 0.36 H new ATOM 0 HB2 PHE A 141 25.815 14.523 2.902 1.00 0.37 H new ATOM 0 HB3 PHE A 141 24.612 13.436 3.565 1.00 0.37 H new ATOM 0 HD1 PHE A 141 25.246 11.039 4.101 1.00 0.35 H new ATOM 0 HD2 PHE A 141 28.199 13.966 2.995 1.00 0.13 H new ATOM 0 HE1 PHE A 141 27.035 9.610 5.062 1.00 0.27 H new ATOM 0 HE2 PHE A 141 29.977 12.514 3.949 1.00 0.04 H new ATOM 0 HZ PHE A 141 29.390 10.354 4.983 1.00 0.12 H new ATOM 927 N VAL A 142 22.902 13.972 0.962 1.00 0.35 N ATOM 928 CA VAL A 142 21.422 13.887 0.772 1.00 0.35 C ATOM 929 C VAL A 142 21.117 13.024 -0.455 1.00 0.34 C ATOM 930 O VAL A 142 20.233 12.190 -0.454 1.00 0.35 O ATOM 931 CB VAL A 142 20.850 15.289 0.528 1.00 0.36 C ATOM 932 CG1 VAL A 142 19.378 15.195 0.089 1.00 0.40 C ATOM 933 CG2 VAL A 142 20.933 16.082 1.821 1.00 0.31 C ATOM 0 H VAL A 142 23.310 14.892 0.796 1.00 0.35 H new ATOM 0 HA VAL A 142 20.974 13.451 1.665 1.00 0.35 H new ATOM 0 HB VAL A 142 21.423 15.780 -0.258 1.00 0.36 H new ATOM 0 HG11 VAL A 142 18.984 16.197 -0.081 1.00 0.40 H new ATOM 0 HG12 VAL A 142 19.309 14.617 -0.833 1.00 0.40 H new ATOM 0 HG13 VAL A 142 18.796 14.704 0.869 1.00 0.40 H new ATOM 0 HG21 VAL A 142 20.529 17.082 1.661 1.00 0.31 H new ATOM 0 HG22 VAL A 142 20.356 15.577 2.595 1.00 0.31 H new ATOM 0 HG23 VAL A 142 21.974 16.157 2.136 1.00 0.31 H new ATOM 943 N GLN A 143 21.862 13.245 -1.506 1.00 0.31 N ATOM 944 CA GLN A 143 21.664 12.481 -2.765 1.00 0.27 C ATOM 945 C GLN A 143 21.901 10.988 -2.527 1.00 0.30 C ATOM 946 O GLN A 143 21.191 10.145 -3.039 1.00 0.31 O ATOM 947 CB GLN A 143 22.667 12.977 -3.809 1.00 0.25 C ATOM 948 CG GLN A 143 22.283 14.387 -4.257 1.00 0.22 C ATOM 949 CD GLN A 143 23.396 14.967 -5.130 1.00 0.40 C ATOM 950 OE1 GLN A 143 24.510 14.481 -5.118 1.00 0.82 O ATOM 951 NE2 GLN A 143 23.141 15.993 -5.894 1.00 1.57 N ATOM 0 H GLN A 143 22.612 13.936 -1.542 1.00 0.31 H new ATOM 0 HA GLN A 143 20.642 12.630 -3.112 1.00 0.27 H new ATOM 0 HB2 GLN A 143 23.673 12.979 -3.390 1.00 0.25 H new ATOM 0 HB3 GLN A 143 22.680 12.303 -4.665 1.00 0.25 H new ATOM 0 HG2 GLN A 143 21.346 14.360 -4.814 1.00 0.22 H new ATOM 0 HG3 GLN A 143 22.119 15.024 -3.388 1.00 0.22 H new ATOM 0 HE21 GLN A 143 22.206 16.401 -5.904 1.00 1.57 H new ATOM 0 HE22 GLN A 143 23.876 16.387 -6.481 1.00 1.57 H new ATOM 960 N MET A 144 22.915 10.653 -1.773 1.00 0.32 N ATOM 961 CA MET A 144 23.230 9.218 -1.518 1.00 0.34 C ATOM 962 C MET A 144 22.120 8.578 -0.673 1.00 0.34 C ATOM 963 O MET A 144 21.750 7.439 -0.882 1.00 0.38 O ATOM 964 CB MET A 144 24.579 9.120 -0.778 1.00 0.33 C ATOM 965 CG MET A 144 25.752 9.218 -1.778 1.00 0.35 C ATOM 966 SD MET A 144 27.139 10.102 -1.012 1.00 0.27 S ATOM 967 CE MET A 144 27.609 8.827 0.184 1.00 0.79 C ATOM 0 H MET A 144 23.542 11.318 -1.320 1.00 0.32 H new ATOM 0 HA MET A 144 23.296 8.686 -2.467 1.00 0.34 H new ATOM 0 HB2 MET A 144 24.655 9.919 -0.040 1.00 0.33 H new ATOM 0 HB3 MET A 144 24.635 8.177 -0.234 1.00 0.33 H new ATOM 0 HG2 MET A 144 26.068 8.220 -2.081 1.00 0.35 H new ATOM 0 HG3 MET A 144 25.431 9.739 -2.680 1.00 0.35 H new ATOM 0 HE1 MET A 144 28.551 9.102 0.658 1.00 0.79 H new ATOM 0 HE2 MET A 144 26.833 8.737 0.944 1.00 0.79 H new ATOM 0 HE3 MET A 144 27.726 7.872 -0.329 1.00 0.79 H new ATOM 977 N MET A 145 21.594 9.289 0.286 1.00 0.31 N ATOM 978 CA MET A 145 20.525 8.702 1.142 1.00 0.31 C ATOM 979 C MET A 145 19.233 8.545 0.338 1.00 0.35 C ATOM 980 O MET A 145 18.449 7.653 0.592 1.00 0.36 O ATOM 981 CB MET A 145 20.277 9.594 2.375 1.00 0.29 C ATOM 982 CG MET A 145 21.504 9.580 3.316 1.00 0.26 C ATOM 983 SD MET A 145 20.949 9.641 5.037 1.00 0.24 S ATOM 984 CE MET A 145 20.557 11.407 5.068 1.00 0.19 C ATOM 0 H MET A 145 21.857 10.248 0.513 1.00 0.31 H new ATOM 0 HA MET A 145 20.850 7.719 1.482 1.00 0.31 H new ATOM 0 HB2 MET A 145 20.069 10.615 2.055 1.00 0.29 H new ATOM 0 HB3 MET A 145 19.396 9.243 2.913 1.00 0.29 H new ATOM 0 HG2 MET A 145 22.095 8.680 3.146 1.00 0.26 H new ATOM 0 HG3 MET A 145 22.150 10.431 3.101 1.00 0.26 H new ATOM 0 HE1 MET A 145 20.009 11.642 5.980 1.00 0.19 H new ATOM 0 HE2 MET A 145 21.481 11.985 5.040 1.00 0.19 H new ATOM 0 HE3 MET A 145 19.945 11.659 4.202 1.00 0.19 H new ATOM 994 N THR A 146 18.988 9.397 -0.625 1.00 0.40 N ATOM 995 CA THR A 146 17.736 9.267 -1.412 1.00 0.46 C ATOM 996 C THR A 146 17.840 8.055 -2.346 1.00 0.56 C ATOM 997 O THR A 146 16.929 7.262 -2.473 1.00 0.82 O ATOM 998 CB THR A 146 17.537 10.574 -2.205 1.00 0.40 C ATOM 999 OG1 THR A 146 18.705 11.371 -2.077 1.00 0.52 O ATOM 1000 CG2 THR A 146 16.339 11.359 -1.662 1.00 0.42 C ATOM 0 H THR A 146 19.598 10.169 -0.895 1.00 0.40 H new ATOM 0 HA THR A 146 16.877 9.108 -0.760 1.00 0.46 H new ATOM 0 HB THR A 146 17.352 10.328 -3.251 1.00 0.40 H new ATOM 0 HG1 THR A 146 18.733 11.770 -1.182 1.00 0.52 H new ATOM 0 HG21 THR A 146 16.216 12.278 -2.235 1.00 0.42 H new ATOM 0 HG22 THR A 146 15.437 10.753 -1.750 1.00 0.42 H new ATOM 0 HG23 THR A 146 16.510 11.605 -0.614 1.00 0.42 H new ATOM 1008 N ALA A 147 18.955 7.926 -2.988 1.00 0.46 N ATOM 1009 CA ALA A 147 19.184 6.792 -3.925 1.00 0.53 C ATOM 1010 C ALA A 147 19.071 5.466 -3.195 1.00 0.74 C ATOM 1011 O ALA A 147 18.601 4.476 -3.720 1.00 1.28 O ATOM 1012 CB ALA A 147 20.598 6.919 -4.498 1.00 1.25 C ATOM 0 H ALA A 147 19.740 8.572 -2.905 1.00 0.46 H new ATOM 0 HA ALA A 147 18.436 6.823 -4.717 1.00 0.53 H new ATOM 0 HB1 ALA A 147 20.786 6.096 -5.188 1.00 1.25 H new ATOM 0 HB2 ALA A 147 20.692 7.866 -5.029 1.00 1.25 H new ATOM 0 HB3 ALA A 147 21.324 6.885 -3.686 1.00 1.25 H new ATOM 1018 N LYS A 148 19.510 5.460 -1.983 1.00 0.73 N ATOM 1019 CA LYS A 148 19.461 4.221 -1.158 1.00 1.42 C ATOM 1020 C LYS A 148 18.060 4.062 -0.563 1.00 1.99 C ATOM 1021 CB LYS A 148 20.486 4.321 -0.029 1.00 1.41 C ATOM 1022 CG LYS A 148 21.895 4.282 -0.619 1.00 1.57 C ATOM 1023 CD LYS A 148 22.923 4.382 0.508 1.00 0.54 C ATOM 1024 CE LYS A 148 24.333 4.325 -0.084 1.00 1.53 C ATOM 1025 NZ LYS A 148 24.539 5.491 -0.989 1.00 2.26 N ATOM 0 H LYS A 148 19.910 6.272 -1.512 1.00 0.73 H new ATOM 0 HA LYS A 148 19.691 3.358 -1.782 1.00 1.42 H new ATOM 0 HB2 LYS A 148 20.339 5.245 0.530 1.00 1.41 H new ATOM 0 HB3 LYS A 148 20.351 3.499 0.674 1.00 1.41 H new ATOM 0 HG2 LYS A 148 22.041 3.358 -1.178 1.00 1.57 H new ATOM 0 HG3 LYS A 148 22.029 5.104 -1.322 1.00 1.57 H new ATOM 0 HD2 LYS A 148 22.785 5.312 1.059 1.00 0.54 H new ATOM 0 HD3 LYS A 148 22.781 3.567 1.218 1.00 0.54 H new ATOM 0 HE2 LYS A 148 25.075 4.335 0.714 1.00 1.53 H new ATOM 0 HE3 LYS A 148 24.470 3.395 -0.635 1.00 1.53 H new ATOM 0 HZ1 LYS A 148 25.502 5.864 -0.862 1.00 2.26 H new ATOM 0 HZ2 LYS A 148 24.412 5.191 -1.977 1.00 2.26 H new ATOM 0 HZ3 LYS A 148 23.847 6.234 -0.761 1.00 2.26 H new