USER MOD reduce.3.24.130724 H: found=0, std=0, add=501, rem=0, adj=12 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 124 MET CE :methyl -127:sc= -0.1 (180deg=0) USER MOD Set 1.2: A 148 LYS NZ :NH3+ 173:sc= 0 (180deg=0) USER MOD Set 2.1: A 109 MET CE :methyl -161:sc= -2.26 (180deg=-2.81!) USER MOD Set 2.2: A 145 MET CE :methyl -178:sc= -1.05 (180deg=-1.11) USER MOD Single : A 94 LYS NZ :NH3+ -124:sc= -2.05 (180deg=-4.49!) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot -133:sc= -1.11! USER MOD Single : A 107 HIS : no HD1:sc= -0.073 X(o=-0.073,f=-0.25) USER MOD Single : A 110 THR OG1 : rot -63:sc= -0.496! USER MOD Single : A 111 ASN : amide:sc= -0.0928 K(o=-0.093,f=-2.2!) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot 180:sc= 0.00813 USER MOD Single : A 135 GLN : amide:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 137 ASN : amide:sc= -7.02! C(o=-7!,f=-4.2!) USER MOD Single : A 138 TYR OH : rot 180:sc= 0 USER MOD Single : A 143 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 144 MET CE :methyl 178:sc= -0.0621 (180deg=-0.0659) USER MOD Single : A 146 THR OG1 : rot -78:sc= 0.687 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 82 10.789 14.469 2.436 1.00 0.23 N ATOM 2 CA GLU A 82 12.082 14.742 1.747 1.00 0.25 C ATOM 3 C GLU A 82 12.514 16.177 2.022 1.00 0.20 C ATOM 4 O GLU A 82 13.599 16.420 2.511 1.00 0.19 O ATOM 5 CB GLU A 82 11.911 14.535 0.238 1.00 0.48 C ATOM 6 CG GLU A 82 13.228 14.846 -0.482 1.00 1.68 C ATOM 7 CD GLU A 82 13.085 14.516 -1.969 1.00 1.54 C ATOM 8 OE1 GLU A 82 11.995 14.682 -2.490 1.00 1.71 O ATOM 9 OE2 GLU A 82 14.069 14.103 -2.561 1.00 1.97 O ATOM 0 HA GLU A 82 12.844 14.059 2.121 1.00 0.25 H new ATOM 0 HB2 GLU A 82 11.609 13.508 0.035 1.00 0.48 H new ATOM 0 HB3 GLU A 82 11.118 15.181 -0.139 1.00 0.48 H new ATOM 0 HG2 GLU A 82 13.485 15.898 -0.355 1.00 1.68 H new ATOM 0 HG3 GLU A 82 14.040 14.264 -0.046 1.00 1.68 H new ATOM 15 N GLU A 83 11.690 17.135 1.714 1.00 0.19 N ATOM 16 CA GLU A 83 12.059 18.559 1.954 1.00 0.16 C ATOM 17 C GLU A 83 12.480 18.740 3.412 1.00 0.11 C ATOM 18 O GLU A 83 13.309 19.570 3.731 1.00 0.11 O ATOM 19 CB GLU A 83 10.855 19.470 1.637 1.00 0.22 C ATOM 20 CG GLU A 83 10.838 19.824 0.142 1.00 0.78 C ATOM 21 CD GLU A 83 11.989 20.784 -0.166 1.00 0.97 C ATOM 22 OE1 GLU A 83 12.371 21.525 0.724 1.00 2.22 O ATOM 23 OE2 GLU A 83 12.468 20.762 -1.288 1.00 0.99 O ATOM 0 H GLU A 83 10.768 16.994 1.302 1.00 0.19 H new ATOM 0 HA GLU A 83 12.891 18.831 1.305 1.00 0.16 H new ATOM 0 HB2 GLU A 83 9.927 18.967 1.910 1.00 0.22 H new ATOM 0 HB3 GLU A 83 10.911 20.381 2.233 1.00 0.22 H new ATOM 0 HG2 GLU A 83 10.934 18.919 -0.458 1.00 0.78 H new ATOM 0 HG3 GLU A 83 9.886 20.283 -0.123 1.00 0.78 H new ATOM 30 N GLU A 84 11.930 17.963 4.292 1.00 0.09 N ATOM 31 CA GLU A 84 12.313 18.082 5.724 1.00 0.07 C ATOM 32 C GLU A 84 13.800 17.776 5.871 1.00 0.08 C ATOM 33 O GLU A 84 14.530 18.499 6.519 1.00 0.13 O ATOM 34 CB GLU A 84 11.502 17.094 6.565 1.00 0.08 C ATOM 35 CG GLU A 84 10.042 17.548 6.630 1.00 0.30 C ATOM 36 CD GLU A 84 9.941 18.832 7.456 1.00 1.19 C ATOM 37 OE1 GLU A 84 10.311 18.796 8.618 1.00 2.28 O ATOM 38 OE2 GLU A 84 9.494 19.829 6.913 1.00 1.64 O ATOM 0 H GLU A 84 11.231 17.249 4.085 1.00 0.09 H new ATOM 0 HA GLU A 84 12.108 19.095 6.071 1.00 0.07 H new ATOM 0 HB2 GLU A 84 11.563 16.096 6.131 1.00 0.08 H new ATOM 0 HB3 GLU A 84 11.918 17.030 7.570 1.00 0.08 H new ATOM 0 HG2 GLU A 84 9.659 17.719 5.624 1.00 0.30 H new ATOM 0 HG3 GLU A 84 9.427 16.767 7.077 1.00 0.30 H new ATOM 45 N ILE A 85 14.262 16.722 5.266 1.00 0.09 N ATOM 46 CA ILE A 85 15.712 16.404 5.375 1.00 0.14 C ATOM 47 C ILE A 85 16.501 17.583 4.793 1.00 0.08 C ATOM 48 O ILE A 85 17.531 17.966 5.311 1.00 0.09 O ATOM 49 CB ILE A 85 16.028 15.087 4.606 1.00 0.20 C ATOM 50 CG1 ILE A 85 15.535 13.860 5.445 1.00 0.27 C ATOM 51 CG2 ILE A 85 17.546 14.990 4.315 1.00 0.21 C ATOM 52 CD1 ILE A 85 16.373 12.598 5.165 1.00 0.30 C ATOM 0 H ILE A 85 13.708 16.073 4.707 1.00 0.09 H new ATOM 0 HA ILE A 85 15.995 16.253 6.417 1.00 0.14 H new ATOM 0 HB ILE A 85 15.503 15.088 3.651 1.00 0.20 H new ATOM 0 HG12 ILE A 85 15.587 14.102 6.507 1.00 0.27 H new ATOM 0 HG13 ILE A 85 14.489 13.659 5.214 1.00 0.27 H new ATOM 0 HG21 ILE A 85 17.755 14.065 3.777 1.00 0.21 H new ATOM 0 HG22 ILE A 85 17.855 15.841 3.708 1.00 0.21 H new ATOM 0 HG23 ILE A 85 18.098 14.996 5.255 1.00 0.21 H new ATOM 0 HD11 ILE A 85 15.997 11.771 5.767 1.00 0.30 H new ATOM 0 HD12 ILE A 85 16.300 12.340 4.109 1.00 0.30 H new ATOM 0 HD13 ILE A 85 17.415 12.789 5.421 1.00 0.30 H new ATOM 64 N ARG A 86 16.040 18.147 3.711 1.00 0.06 N ATOM 65 CA ARG A 86 16.783 19.281 3.091 1.00 0.09 C ATOM 66 C ARG A 86 16.692 20.529 3.970 1.00 0.11 C ATOM 67 O ARG A 86 17.645 21.279 4.059 1.00 0.17 O ATOM 68 CB ARG A 86 16.197 19.580 1.709 1.00 0.14 C ATOM 69 CG ARG A 86 16.971 20.729 1.059 1.00 0.60 C ATOM 70 CD ARG A 86 16.573 20.835 -0.414 1.00 0.60 C ATOM 71 NE ARG A 86 17.118 22.095 -0.989 1.00 0.90 N ATOM 72 CZ ARG A 86 17.163 22.253 -2.283 1.00 1.64 C ATOM 73 NH1 ARG A 86 16.747 21.299 -3.070 1.00 2.72 N ATOM 74 NH2 ARG A 86 17.626 23.363 -2.789 1.00 1.61 N ATOM 0 H ARG A 86 15.183 17.873 3.230 1.00 0.06 H new ATOM 0 HA ARG A 86 17.832 19.001 2.993 1.00 0.09 H new ATOM 0 HB2 ARG A 86 16.251 18.691 1.080 1.00 0.14 H new ATOM 0 HB3 ARG A 86 15.143 19.844 1.799 1.00 0.14 H new ATOM 0 HG2 ARG A 86 16.756 21.665 1.574 1.00 0.60 H new ATOM 0 HG3 ARG A 86 18.044 20.556 1.147 1.00 0.60 H new ATOM 0 HD2 ARG A 86 16.954 19.976 -0.967 1.00 0.60 H new ATOM 0 HD3 ARG A 86 15.487 20.819 -0.510 1.00 0.60 H new ATOM 0 HE ARG A 86 17.456 22.834 -0.372 1.00 0.90 H new ATOM 0 HH11 ARG A 86 16.387 20.431 -2.673 1.00 2.72 H new ATOM 0 HH12 ARG A 86 16.782 21.421 -4.082 1.00 2.72 H new ATOM 0 HH21 ARG A 86 17.953 24.107 -2.173 1.00 1.61 H new ATOM 0 HH22 ARG A 86 17.661 23.487 -3.801 1.00 1.61 H new ATOM 88 N GLU A 87 15.573 20.809 4.611 1.00 0.09 N ATOM 89 CA GLU A 87 15.495 22.035 5.431 1.00 0.12 C ATOM 90 C GLU A 87 16.351 21.843 6.683 1.00 0.10 C ATOM 91 O GLU A 87 16.963 22.777 7.161 1.00 0.10 O ATOM 92 CB GLU A 87 14.003 22.352 5.715 1.00 0.14 C ATOM 93 CG GLU A 87 13.755 22.713 7.179 1.00 0.39 C ATOM 94 CD GLU A 87 12.361 23.324 7.328 1.00 1.85 C ATOM 95 OE1 GLU A 87 11.606 23.269 6.371 1.00 2.39 O ATOM 96 OE2 GLU A 87 12.071 23.836 8.397 1.00 3.05 O ATOM 0 H GLU A 87 14.728 20.239 4.593 1.00 0.09 H new ATOM 0 HA GLU A 87 15.899 22.905 4.914 1.00 0.12 H new ATOM 0 HB2 GLU A 87 13.682 23.178 5.080 1.00 0.14 H new ATOM 0 HB3 GLU A 87 13.393 21.489 5.448 1.00 0.14 H new ATOM 0 HG2 GLU A 87 13.842 21.824 7.803 1.00 0.39 H new ATOM 0 HG3 GLU A 87 14.511 23.419 7.523 1.00 0.39 H new ATOM 103 N ALA A 88 16.441 20.655 7.206 1.00 0.07 N ATOM 104 CA ALA A 88 17.308 20.477 8.393 1.00 0.06 C ATOM 105 C ALA A 88 18.715 20.767 7.924 1.00 0.04 C ATOM 106 O ALA A 88 19.418 21.576 8.474 1.00 0.06 O ATOM 107 CB ALA A 88 17.221 19.031 8.884 1.00 0.05 C ATOM 0 H ALA A 88 15.963 19.819 6.871 1.00 0.07 H new ATOM 0 HA ALA A 88 17.009 21.132 9.211 1.00 0.06 H new ATOM 0 HB1 ALA A 88 17.860 18.904 9.758 1.00 0.05 H new ATOM 0 HB2 ALA A 88 16.190 18.799 9.152 1.00 0.05 H new ATOM 0 HB3 ALA A 88 17.550 18.358 8.093 1.00 0.05 H new ATOM 113 N PHE A 89 19.130 20.137 6.869 1.00 0.05 N ATOM 114 CA PHE A 89 20.487 20.423 6.374 1.00 0.06 C ATOM 115 C PHE A 89 20.605 21.941 6.169 1.00 0.07 C ATOM 116 O PHE A 89 21.610 22.536 6.504 1.00 0.08 O ATOM 117 CB PHE A 89 20.764 19.635 5.084 1.00 0.07 C ATOM 118 CG PHE A 89 21.263 18.245 5.444 1.00 0.07 C ATOM 119 CD1 PHE A 89 22.461 18.106 6.162 1.00 0.09 C ATOM 120 CD2 PHE A 89 20.534 17.096 5.075 1.00 0.06 C ATOM 121 CE1 PHE A 89 22.927 16.850 6.505 1.00 0.11 C ATOM 122 CE2 PHE A 89 21.024 15.817 5.437 1.00 0.09 C ATOM 123 CZ PHE A 89 22.232 15.717 6.158 1.00 0.11 C ATOM 0 H PHE A 89 18.596 19.449 6.338 1.00 0.05 H new ATOM 0 HA PHE A 89 21.240 20.105 7.095 1.00 0.06 H new ATOM 0 HB2 PHE A 89 19.856 19.565 4.485 1.00 0.07 H new ATOM 0 HB3 PHE A 89 21.506 20.155 4.478 1.00 0.07 H new ATOM 0 HD1 PHE A 89 23.021 18.984 6.448 1.00 0.09 H new ATOM 0 HD2 PHE A 89 19.611 17.190 4.522 1.00 0.06 H new ATOM 0 HE1 PHE A 89 23.852 16.758 7.055 1.00 0.11 H new ATOM 0 HE2 PHE A 89 20.477 14.927 5.163 1.00 0.09 H new ATOM 0 HZ PHE A 89 22.612 14.746 6.438 1.00 0.11 H new ATOM 133 N ARG A 90 19.574 22.589 5.681 1.00 0.07 N ATOM 134 CA ARG A 90 19.610 24.073 5.526 1.00 0.07 C ATOM 135 C ARG A 90 19.749 24.709 6.910 1.00 0.06 C ATOM 136 O ARG A 90 20.467 25.673 7.082 1.00 0.07 O ATOM 137 CB ARG A 90 18.309 24.545 4.876 1.00 0.06 C ATOM 138 CG ARG A 90 18.443 26.009 4.453 1.00 0.35 C ATOM 139 CD ARG A 90 17.071 26.544 4.037 1.00 0.34 C ATOM 140 NE ARG A 90 16.257 26.819 5.254 1.00 1.93 N ATOM 141 CZ ARG A 90 15.178 27.546 5.165 1.00 3.33 C ATOM 142 NH1 ARG A 90 14.819 28.041 4.012 1.00 4.69 N ATOM 143 NH2 ARG A 90 14.458 27.780 6.228 1.00 3.73 N ATOM 0 H ARG A 90 18.704 22.148 5.382 1.00 0.07 H new ATOM 0 HA ARG A 90 20.453 24.363 4.899 1.00 0.07 H new ATOM 0 HB2 ARG A 90 18.079 23.926 4.009 1.00 0.06 H new ATOM 0 HB3 ARG A 90 17.481 24.433 5.576 1.00 0.06 H new ATOM 0 HG2 ARG A 90 18.843 26.602 5.276 1.00 0.35 H new ATOM 0 HG3 ARG A 90 19.147 26.097 3.625 1.00 0.35 H new ATOM 0 HD2 ARG A 90 17.187 27.455 3.450 1.00 0.34 H new ATOM 0 HD3 ARG A 90 16.563 25.818 3.402 1.00 0.34 H new ATOM 0 HE ARG A 90 16.543 26.439 6.156 1.00 1.93 H new ATOM 0 HH11 ARG A 90 15.382 27.859 3.181 1.00 4.69 H new ATOM 0 HH12 ARG A 90 13.975 28.610 3.942 1.00 4.69 H new ATOM 0 HH21 ARG A 90 14.739 27.394 7.129 1.00 3.73 H new ATOM 0 HH22 ARG A 90 13.614 28.349 6.157 1.00 3.73 H new ATOM 157 N VAL A 91 19.097 24.169 7.913 1.00 0.06 N ATOM 158 CA VAL A 91 19.235 24.740 9.286 1.00 0.06 C ATOM 159 C VAL A 91 20.712 24.646 9.644 1.00 0.09 C ATOM 160 O VAL A 91 21.212 25.352 10.498 1.00 0.11 O ATOM 161 CB VAL A 91 18.402 23.894 10.288 1.00 0.04 C ATOM 162 CG1 VAL A 91 19.047 23.890 11.683 1.00 0.06 C ATOM 163 CG2 VAL A 91 16.977 24.455 10.386 1.00 0.02 C ATOM 0 H VAL A 91 18.479 23.361 7.838 1.00 0.06 H new ATOM 0 HA VAL A 91 18.879 25.770 9.327 1.00 0.06 H new ATOM 0 HB VAL A 91 18.371 22.869 9.919 1.00 0.04 H new ATOM 0 HG11 VAL A 91 18.441 23.290 12.362 1.00 0.06 H new ATOM 0 HG12 VAL A 91 20.049 23.466 11.619 1.00 0.06 H new ATOM 0 HG13 VAL A 91 19.109 24.912 12.058 1.00 0.06 H new ATOM 0 HG21 VAL A 91 16.398 23.857 11.090 1.00 0.02 H new ATOM 0 HG22 VAL A 91 17.016 25.488 10.733 1.00 0.02 H new ATOM 0 HG23 VAL A 91 16.504 24.419 9.405 1.00 0.02 H new ATOM 173 N PHE A 92 21.402 23.746 9.000 1.00 0.10 N ATOM 174 CA PHE A 92 22.835 23.539 9.276 1.00 0.13 C ATOM 175 C PHE A 92 23.669 24.246 8.211 1.00 0.17 C ATOM 176 O PHE A 92 24.860 24.041 8.112 1.00 0.19 O ATOM 177 CB PHE A 92 23.082 22.036 9.297 1.00 0.12 C ATOM 178 CG PHE A 92 22.718 21.538 10.679 1.00 0.11 C ATOM 179 CD1 PHE A 92 21.403 21.145 11.004 1.00 0.07 C ATOM 180 CD2 PHE A 92 23.701 21.544 11.652 1.00 0.17 C ATOM 181 CE1 PHE A 92 21.091 20.764 12.305 1.00 0.13 C ATOM 182 CE2 PHE A 92 23.393 21.146 12.962 1.00 0.21 C ATOM 183 CZ PHE A 92 22.080 20.762 13.285 1.00 0.19 C ATOM 0 H PHE A 92 21.016 23.136 8.279 1.00 0.10 H new ATOM 0 HA PHE A 92 23.126 23.962 10.238 1.00 0.13 H new ATOM 0 HB2 PHE A 92 22.479 21.537 8.538 1.00 0.12 H new ATOM 0 HB3 PHE A 92 24.125 21.815 9.072 1.00 0.12 H new ATOM 0 HD1 PHE A 92 20.638 21.140 10.242 1.00 0.07 H new ATOM 0 HD2 PHE A 92 24.705 21.855 11.404 1.00 0.17 H new ATOM 0 HE1 PHE A 92 20.082 20.470 12.555 1.00 0.13 H new ATOM 0 HE2 PHE A 92 24.163 21.135 13.720 1.00 0.21 H new ATOM 0 HZ PHE A 92 21.838 20.465 14.295 1.00 0.19 H new ATOM 193 N ASP A 93 23.063 25.129 7.462 1.00 0.20 N ATOM 194 CA ASP A 93 23.810 25.926 6.440 1.00 0.24 C ATOM 195 C ASP A 93 23.345 27.382 6.562 1.00 0.45 C ATOM 196 O ASP A 93 22.349 27.802 6.006 1.00 0.55 O ATOM 197 CB ASP A 93 23.525 25.392 5.035 1.00 0.27 C ATOM 198 CG ASP A 93 24.348 26.177 4.010 1.00 0.32 C ATOM 199 OD1 ASP A 93 25.092 27.051 4.421 1.00 1.46 O ATOM 200 OD2 ASP A 93 24.218 25.890 2.831 1.00 1.03 O ATOM 0 H ASP A 93 22.066 25.336 7.515 1.00 0.20 H new ATOM 0 HA ASP A 93 24.884 25.852 6.609 1.00 0.24 H new ATOM 0 HB2 ASP A 93 23.773 24.332 4.981 1.00 0.27 H new ATOM 0 HB3 ASP A 93 22.462 25.482 4.809 1.00 0.27 H new ATOM 205 N LYS A 94 24.065 28.112 7.360 1.00 0.56 N ATOM 206 CA LYS A 94 23.724 29.521 7.651 1.00 0.76 C ATOM 207 C LYS A 94 23.755 30.362 6.375 1.00 0.71 C ATOM 208 O LYS A 94 23.143 31.408 6.289 1.00 0.85 O ATOM 209 CB LYS A 94 24.783 30.000 8.685 1.00 0.95 C ATOM 210 CG LYS A 94 25.358 31.368 8.334 1.00 1.08 C ATOM 211 CD LYS A 94 26.183 31.901 9.511 1.00 1.67 C ATOM 212 CE LYS A 94 27.353 30.954 9.805 1.00 2.57 C ATOM 213 NZ LYS A 94 26.878 29.827 10.656 1.00 3.98 N ATOM 0 H LYS A 94 24.902 27.776 7.836 1.00 0.56 H new ATOM 0 HA LYS A 94 22.714 29.624 8.049 1.00 0.76 H new ATOM 0 HB2 LYS A 94 24.328 30.043 9.674 1.00 0.95 H new ATOM 0 HB3 LYS A 94 25.592 29.271 8.737 1.00 0.95 H new ATOM 0 HG2 LYS A 94 25.983 31.293 7.444 1.00 1.08 H new ATOM 0 HG3 LYS A 94 24.551 32.062 8.099 1.00 1.08 H new ATOM 0 HD2 LYS A 94 26.560 32.897 9.279 1.00 1.67 H new ATOM 0 HD3 LYS A 94 25.551 31.997 10.394 1.00 1.67 H new ATOM 0 HE2 LYS A 94 27.767 30.570 8.873 1.00 2.57 H new ATOM 0 HE3 LYS A 94 28.153 31.494 10.311 1.00 2.57 H new ATOM 0 HZ1 LYS A 94 27.452 29.780 11.522 1.00 3.98 H new ATOM 0 HZ2 LYS A 94 25.881 29.979 10.909 1.00 3.98 H new ATOM 0 HZ3 LYS A 94 26.970 28.934 10.132 1.00 3.98 H new ATOM 227 N ASP A 95 24.494 29.922 5.405 1.00 0.59 N ATOM 228 CA ASP A 95 24.617 30.702 4.134 1.00 0.54 C ATOM 229 C ASP A 95 23.708 30.134 3.042 1.00 0.19 C ATOM 230 O ASP A 95 23.778 30.555 1.904 1.00 0.21 O ATOM 231 CB ASP A 95 26.066 30.648 3.651 1.00 0.81 C ATOM 232 CG ASP A 95 26.950 31.465 4.594 1.00 1.98 C ATOM 233 OD1 ASP A 95 26.413 32.301 5.302 1.00 3.10 O ATOM 234 OD2 ASP A 95 28.149 31.242 4.591 1.00 2.32 O ATOM 0 H ASP A 95 25.025 29.051 5.430 1.00 0.59 H new ATOM 0 HA ASP A 95 24.316 31.730 4.334 1.00 0.54 H new ATOM 0 HB2 ASP A 95 26.411 29.614 3.617 1.00 0.81 H new ATOM 0 HB3 ASP A 95 26.137 31.041 2.637 1.00 0.81 H new ATOM 239 N GLY A 96 22.839 29.205 3.375 1.00 0.07 N ATOM 240 CA GLY A 96 21.903 28.627 2.353 1.00 0.43 C ATOM 241 C GLY A 96 22.619 28.465 1.011 1.00 0.33 C ATOM 242 O GLY A 96 22.230 29.051 0.020 1.00 0.46 O ATOM 0 H GLY A 96 22.738 28.821 4.314 1.00 0.07 H new ATOM 0 HA2 GLY A 96 21.532 27.660 2.694 1.00 0.43 H new ATOM 0 HA3 GLY A 96 21.036 29.277 2.235 1.00 0.43 H new ATOM 246 N ASN A 97 23.681 27.693 0.980 1.00 0.12 N ATOM 247 CA ASN A 97 24.453 27.510 -0.289 1.00 0.10 C ATOM 248 C ASN A 97 24.541 26.031 -0.662 1.00 0.15 C ATOM 249 O ASN A 97 23.855 25.567 -1.551 1.00 0.38 O ATOM 250 CB ASN A 97 25.867 28.064 -0.099 1.00 0.17 C ATOM 251 CG ASN A 97 26.588 28.098 -1.449 1.00 0.30 C ATOM 252 OD1 ASN A 97 26.057 28.595 -2.422 1.00 1.31 O ATOM 253 ND2 ASN A 97 27.787 27.590 -1.547 1.00 0.76 N ATOM 0 H ASN A 97 24.046 27.181 1.783 1.00 0.12 H new ATOM 0 HA ASN A 97 23.940 28.042 -1.090 1.00 0.10 H new ATOM 0 HB2 ASN A 97 25.822 29.066 0.327 1.00 0.17 H new ATOM 0 HB3 ASN A 97 26.421 27.443 0.605 1.00 0.17 H new ATOM 0 HD21 ASN A 97 28.278 27.610 -2.441 1.00 0.76 H new ATOM 0 HD22 ASN A 97 28.232 27.173 -0.730 1.00 0.76 H new ATOM 260 N GLY A 98 25.372 25.283 0.004 1.00 0.08 N ATOM 261 CA GLY A 98 25.461 23.836 -0.351 1.00 0.11 C ATOM 262 C GLY A 98 26.468 23.051 0.507 1.00 0.11 C ATOM 263 O GLY A 98 26.446 21.836 0.501 1.00 0.23 O ATOM 0 H GLY A 98 25.980 25.597 0.760 1.00 0.08 H new ATOM 0 HA2 GLY A 98 24.475 23.383 -0.244 1.00 0.11 H new ATOM 0 HA3 GLY A 98 25.742 23.745 -1.400 1.00 0.11 H new ATOM 267 N TYR A 99 27.360 23.700 1.216 1.00 0.14 N ATOM 268 CA TYR A 99 28.373 22.948 2.035 1.00 0.18 C ATOM 269 C TYR A 99 28.251 23.264 3.534 1.00 0.19 C ATOM 270 O TYR A 99 28.095 24.400 3.938 1.00 0.18 O ATOM 271 CB TYR A 99 29.772 23.351 1.567 1.00 0.15 C ATOM 272 CG TYR A 99 29.944 22.993 0.110 1.00 0.15 C ATOM 273 CD1 TYR A 99 29.408 23.823 -0.883 1.00 0.78 C ATOM 274 CD2 TYR A 99 30.645 21.836 -0.250 1.00 0.81 C ATOM 275 CE1 TYR A 99 29.573 23.495 -2.234 1.00 0.80 C ATOM 276 CE2 TYR A 99 30.810 21.508 -1.600 1.00 0.80 C ATOM 277 CZ TYR A 99 30.274 22.337 -2.592 1.00 0.18 C ATOM 278 OH TYR A 99 30.436 22.014 -3.924 1.00 0.21 O ATOM 0 H TYR A 99 27.433 24.716 1.265 1.00 0.14 H new ATOM 0 HA TYR A 99 28.195 21.881 1.898 1.00 0.18 H new ATOM 0 HB2 TYR A 99 29.919 24.422 1.708 1.00 0.15 H new ATOM 0 HB3 TYR A 99 30.527 22.844 2.168 1.00 0.15 H new ATOM 0 HD1 TYR A 99 28.867 24.716 -0.606 1.00 0.78 H new ATOM 0 HD2 TYR A 99 31.059 21.196 0.515 1.00 0.81 H new ATOM 0 HE1 TYR A 99 29.160 24.135 -3.000 1.00 0.80 H new ATOM 0 HE2 TYR A 99 31.351 20.615 -1.877 1.00 0.80 H new ATOM 0 HH TYR A 99 30.947 21.181 -3.999 1.00 0.21 H new ATOM 288 N ILE A 100 28.399 22.250 4.357 1.00 0.20 N ATOM 289 CA ILE A 100 28.384 22.436 5.844 1.00 0.21 C ATOM 290 C ILE A 100 29.502 21.553 6.380 1.00 0.19 C ATOM 291 O ILE A 100 29.992 20.687 5.682 1.00 0.18 O ATOM 292 CB ILE A 100 27.035 22.044 6.485 1.00 0.23 C ATOM 293 CG1 ILE A 100 26.721 20.558 6.240 1.00 0.26 C ATOM 294 CG2 ILE A 100 25.927 22.911 5.883 1.00 0.17 C ATOM 295 CD1 ILE A 100 25.443 20.155 6.992 1.00 0.31 C ATOM 0 H ILE A 100 28.532 21.285 4.054 1.00 0.20 H new ATOM 0 HA ILE A 100 28.526 23.488 6.091 1.00 0.21 H new ATOM 0 HB ILE A 100 27.096 22.206 7.561 1.00 0.23 H new ATOM 0 HG12 ILE A 100 26.596 20.376 5.173 1.00 0.26 H new ATOM 0 HG13 ILE A 100 27.557 19.942 6.573 1.00 0.26 H new ATOM 0 HG21 ILE A 100 24.970 22.641 6.330 1.00 0.17 H new ATOM 0 HG22 ILE A 100 26.138 23.962 6.083 1.00 0.17 H new ATOM 0 HG23 ILE A 100 25.883 22.749 4.806 1.00 0.17 H new ATOM 0 HD11 ILE A 100 25.231 19.101 6.811 1.00 0.31 H new ATOM 0 HD12 ILE A 100 25.583 20.319 8.061 1.00 0.31 H new ATOM 0 HD13 ILE A 100 24.607 20.759 6.639 1.00 0.31 H new ATOM 307 N SER A 101 29.926 21.737 7.590 1.00 0.21 N ATOM 308 CA SER A 101 31.019 20.865 8.096 1.00 0.19 C ATOM 309 C SER A 101 30.484 19.452 8.346 1.00 0.15 C ATOM 310 O SER A 101 29.353 19.248 8.733 1.00 0.14 O ATOM 311 CB SER A 101 31.618 21.435 9.376 1.00 0.20 C ATOM 312 OG SER A 101 30.625 21.466 10.393 1.00 0.17 O ATOM 0 H SER A 101 29.575 22.437 8.243 1.00 0.21 H new ATOM 0 HA SER A 101 31.805 20.822 7.342 1.00 0.19 H new ATOM 0 HB2 SER A 101 32.463 20.826 9.697 1.00 0.20 H new ATOM 0 HB3 SER A 101 32.000 22.440 9.195 1.00 0.20 H new ATOM 0 HG SER A 101 30.642 22.338 10.840 1.00 0.17 H new ATOM 318 N ALA A 102 31.296 18.478 8.078 1.00 0.11 N ATOM 319 CA ALA A 102 30.850 17.063 8.249 1.00 0.07 C ATOM 320 C ALA A 102 30.310 16.811 9.661 1.00 0.04 C ATOM 321 O ALA A 102 29.353 16.083 9.837 1.00 0.03 O ATOM 322 CB ALA A 102 32.042 16.134 7.972 1.00 0.04 C ATOM 0 H ALA A 102 32.254 18.594 7.746 1.00 0.11 H new ATOM 0 HA ALA A 102 30.041 16.863 7.547 1.00 0.07 H new ATOM 0 HB1 ALA A 102 31.731 15.097 8.093 1.00 0.04 H new ATOM 0 HB2 ALA A 102 32.396 16.290 6.953 1.00 0.04 H new ATOM 0 HB3 ALA A 102 32.847 16.356 8.673 1.00 0.04 H new ATOM 328 N ALA A 103 30.884 17.402 10.666 1.00 0.06 N ATOM 329 CA ALA A 103 30.345 17.165 12.033 1.00 0.06 C ATOM 330 C ALA A 103 28.924 17.695 12.047 1.00 0.04 C ATOM 331 O ALA A 103 28.017 17.074 12.565 1.00 0.07 O ATOM 332 CB ALA A 103 31.191 17.916 13.064 1.00 0.12 C ATOM 0 H ALA A 103 31.687 18.027 10.606 1.00 0.06 H new ATOM 0 HA ALA A 103 30.368 16.104 12.283 1.00 0.06 H new ATOM 0 HB1 ALA A 103 30.791 17.738 14.062 1.00 0.12 H new ATOM 0 HB2 ALA A 103 32.221 17.562 13.017 1.00 0.12 H new ATOM 0 HB3 ALA A 103 31.165 18.984 12.848 1.00 0.12 H new ATOM 338 N GLU A 104 28.721 18.840 11.455 1.00 0.04 N ATOM 339 CA GLU A 104 27.360 19.412 11.404 1.00 0.05 C ATOM 340 C GLU A 104 26.441 18.422 10.661 1.00 0.05 C ATOM 341 O GLU A 104 25.308 18.206 11.040 1.00 0.17 O ATOM 342 CB GLU A 104 27.385 20.776 10.686 1.00 0.08 C ATOM 343 CG GLU A 104 27.582 21.906 11.705 1.00 0.66 C ATOM 344 CD GLU A 104 28.938 21.741 12.393 1.00 0.61 C ATOM 345 OE1 GLU A 104 29.157 20.697 12.984 1.00 0.43 O ATOM 346 OE2 GLU A 104 29.735 22.662 12.316 1.00 0.81 O ATOM 0 H GLU A 104 29.445 19.400 11.005 1.00 0.04 H new ATOM 0 HA GLU A 104 26.982 19.572 12.414 1.00 0.05 H new ATOM 0 HB2 GLU A 104 28.190 20.794 9.951 1.00 0.08 H new ATOM 0 HB3 GLU A 104 26.453 20.926 10.141 1.00 0.08 H new ATOM 0 HG2 GLU A 104 27.531 22.874 11.206 1.00 0.66 H new ATOM 0 HG3 GLU A 104 26.782 21.887 12.445 1.00 0.66 H new ATOM 353 N LEU A 105 26.931 17.820 9.608 1.00 0.07 N ATOM 354 CA LEU A 105 26.128 16.836 8.812 1.00 0.04 C ATOM 355 C LEU A 105 25.799 15.601 9.658 1.00 0.05 C ATOM 356 O LEU A 105 24.660 15.185 9.730 1.00 0.04 O ATOM 357 CB LEU A 105 26.994 16.425 7.601 1.00 0.02 C ATOM 358 CG LEU A 105 26.224 15.372 6.677 1.00 0.03 C ATOM 359 CD1 LEU A 105 25.778 15.843 5.242 1.00 0.13 C ATOM 360 CD2 LEU A 105 27.105 14.137 6.483 1.00 0.16 C ATOM 0 H LEU A 105 27.876 17.971 9.256 1.00 0.07 H new ATOM 0 HA LEU A 105 25.185 17.280 8.492 1.00 0.04 H new ATOM 0 HB2 LEU A 105 27.250 17.308 7.016 1.00 0.02 H new ATOM 0 HB3 LEU A 105 27.931 15.991 7.950 1.00 0.02 H new ATOM 0 HG LEU A 105 25.300 15.193 7.226 1.00 0.03 H new ATOM 0 HD11 LEU A 105 25.269 15.025 4.732 1.00 0.13 H new ATOM 0 HD12 LEU A 105 25.100 16.692 5.332 1.00 0.13 H new ATOM 0 HD13 LEU A 105 26.656 16.138 4.667 1.00 0.13 H new ATOM 0 HD21 LEU A 105 26.585 13.415 5.853 1.00 0.16 H new ATOM 0 HD22 LEU A 105 28.040 14.429 6.005 1.00 0.16 H new ATOM 0 HD23 LEU A 105 27.318 13.686 7.452 1.00 0.16 H new ATOM 372 N ARG A 106 26.773 15.002 10.300 1.00 0.09 N ATOM 373 CA ARG A 106 26.483 13.803 11.127 1.00 0.13 C ATOM 374 C ARG A 106 25.448 14.222 12.169 1.00 0.12 C ATOM 375 O ARG A 106 24.589 13.460 12.553 1.00 0.11 O ATOM 376 CB ARG A 106 27.804 13.297 11.759 1.00 0.23 C ATOM 377 CG ARG A 106 27.683 13.126 13.278 1.00 1.61 C ATOM 378 CD ARG A 106 28.973 12.513 13.830 1.00 1.56 C ATOM 379 NE ARG A 106 28.896 12.438 15.317 1.00 2.66 N ATOM 380 CZ ARG A 106 29.727 11.675 15.973 1.00 2.57 C ATOM 381 NH1 ARG A 106 30.621 10.980 15.327 1.00 3.52 N ATOM 382 NH2 ARG A 106 29.664 11.609 17.275 1.00 2.04 N ATOM 0 H ARG A 106 27.750 15.295 10.284 1.00 0.09 H new ATOM 0 HA ARG A 106 26.078 12.976 10.543 1.00 0.13 H new ATOM 0 HB2 ARG A 106 28.081 12.344 11.307 1.00 0.23 H new ATOM 0 HB3 ARG A 106 28.606 14.001 11.536 1.00 0.23 H new ATOM 0 HG2 ARG A 106 27.496 14.091 13.749 1.00 1.61 H new ATOM 0 HG3 ARG A 106 26.833 12.486 13.516 1.00 1.61 H new ATOM 0 HD2 ARG A 106 29.121 11.517 13.413 1.00 1.56 H new ATOM 0 HD3 ARG A 106 29.831 13.115 13.530 1.00 1.56 H new ATOM 0 HE ARG A 106 28.195 12.982 15.821 1.00 2.66 H new ATOM 0 HH11 ARG A 106 30.671 11.033 14.310 1.00 3.52 H new ATOM 0 HH12 ARG A 106 31.271 10.383 15.839 1.00 3.52 H new ATOM 0 HH21 ARG A 106 28.965 12.154 17.780 1.00 2.04 H new ATOM 0 HH22 ARG A 106 30.314 11.013 17.787 1.00 2.04 H new ATOM 396 N HIS A 107 25.539 15.439 12.614 1.00 0.12 N ATOM 397 CA HIS A 107 24.575 15.940 13.631 1.00 0.15 C ATOM 398 C HIS A 107 23.192 16.109 13.002 1.00 0.12 C ATOM 399 O HIS A 107 22.195 15.699 13.562 1.00 0.16 O ATOM 400 CB HIS A 107 25.086 17.279 14.175 1.00 0.18 C ATOM 401 CG HIS A 107 24.444 17.567 15.500 1.00 0.23 C ATOM 402 ND1 HIS A 107 24.499 16.685 16.568 1.00 0.49 N ATOM 403 CD2 HIS A 107 23.728 18.640 15.935 1.00 0.28 C ATOM 404 CE1 HIS A 107 23.827 17.247 17.589 1.00 0.45 C ATOM 405 NE2 HIS A 107 23.335 18.443 17.256 1.00 0.26 N ATOM 0 H HIS A 107 26.243 16.114 12.317 1.00 0.12 H new ATOM 0 HA HIS A 107 24.491 15.224 14.449 1.00 0.15 H new ATOM 0 HB2 HIS A 107 26.170 17.248 14.285 1.00 0.18 H new ATOM 0 HB3 HIS A 107 24.860 18.079 13.470 1.00 0.18 H new ATOM 0 HD2 HIS A 107 23.499 19.514 15.343 1.00 0.28 H new ATOM 0 HE1 HIS A 107 23.701 16.788 18.558 1.00 0.45 H new ATOM 0 HE2 HIS A 107 22.790 19.075 17.842 1.00 0.26 H new ATOM 413 N VAL A 108 23.117 16.689 11.831 1.00 0.08 N ATOM 414 CA VAL A 108 21.795 16.853 11.169 1.00 0.09 C ATOM 415 C VAL A 108 21.139 15.476 11.081 1.00 0.09 C ATOM 416 O VAL A 108 19.962 15.306 11.334 1.00 0.10 O ATOM 417 CB VAL A 108 22.006 17.358 9.725 1.00 0.09 C ATOM 418 CG1 VAL A 108 20.650 17.419 8.992 1.00 0.10 C ATOM 419 CG2 VAL A 108 22.666 18.751 9.740 1.00 0.09 C ATOM 0 H VAL A 108 23.914 17.054 11.309 1.00 0.08 H new ATOM 0 HA VAL A 108 21.182 17.557 11.732 1.00 0.09 H new ATOM 0 HB VAL A 108 22.665 16.667 9.198 1.00 0.09 H new ATOM 0 HG11 VAL A 108 20.803 17.776 7.973 1.00 0.10 H new ATOM 0 HG12 VAL A 108 20.206 16.424 8.965 1.00 0.10 H new ATOM 0 HG13 VAL A 108 19.982 18.100 9.519 1.00 0.10 H new ATOM 0 HG21 VAL A 108 22.810 19.097 8.716 1.00 0.09 H new ATOM 0 HG22 VAL A 108 22.024 19.452 10.273 1.00 0.09 H new ATOM 0 HG23 VAL A 108 23.632 18.691 10.241 1.00 0.09 H new ATOM 429 N MET A 109 21.912 14.496 10.671 1.00 0.09 N ATOM 430 CA MET A 109 21.372 13.123 10.497 1.00 0.10 C ATOM 431 C MET A 109 20.922 12.514 11.837 1.00 0.09 C ATOM 432 O MET A 109 20.025 11.695 11.878 1.00 0.10 O ATOM 433 CB MET A 109 22.442 12.229 9.855 1.00 0.10 C ATOM 434 CG MET A 109 22.808 12.790 8.481 1.00 0.10 C ATOM 435 SD MET A 109 24.294 11.962 7.863 1.00 0.12 S ATOM 436 CE MET A 109 23.464 10.550 7.095 1.00 0.08 C ATOM 0 H MET A 109 22.902 14.598 10.449 1.00 0.09 H new ATOM 0 HA MET A 109 20.498 13.184 9.849 1.00 0.10 H new ATOM 0 HB2 MET A 109 23.326 12.186 10.491 1.00 0.10 H new ATOM 0 HB3 MET A 109 22.070 11.209 9.757 1.00 0.10 H new ATOM 0 HG2 MET A 109 21.982 12.643 7.785 1.00 0.10 H new ATOM 0 HG3 MET A 109 22.980 13.864 8.550 1.00 0.10 H new ATOM 0 HE1 MET A 109 24.182 9.743 6.945 1.00 0.08 H new ATOM 0 HE2 MET A 109 22.659 10.204 7.744 1.00 0.08 H new ATOM 0 HE3 MET A 109 23.050 10.851 6.133 1.00 0.08 H new ATOM 446 N THR A 110 21.555 12.870 12.930 1.00 0.08 N ATOM 447 CA THR A 110 21.179 12.271 14.243 1.00 0.10 C ATOM 448 C THR A 110 19.940 12.983 14.829 1.00 0.15 C ATOM 449 O THR A 110 19.208 12.407 15.609 1.00 0.16 O ATOM 450 CB THR A 110 22.404 12.393 15.186 1.00 0.15 C ATOM 451 OG1 THR A 110 23.439 13.075 14.502 1.00 0.15 O ATOM 452 CG2 THR A 110 22.920 11.001 15.606 1.00 0.18 C ATOM 0 H THR A 110 22.315 13.549 12.966 1.00 0.08 H new ATOM 0 HA THR A 110 20.911 11.221 14.124 1.00 0.10 H new ATOM 0 HB THR A 110 22.103 12.938 16.081 1.00 0.15 H new ATOM 0 HG1 THR A 110 23.723 12.546 13.727 1.00 0.15 H new ATOM 0 HG21 THR A 110 23.779 11.116 16.267 1.00 0.18 H new ATOM 0 HG22 THR A 110 22.130 10.462 16.129 1.00 0.18 H new ATOM 0 HG23 THR A 110 23.216 10.440 14.720 1.00 0.18 H new ATOM 460 N ASN A 111 19.697 14.221 14.477 1.00 0.21 N ATOM 461 CA ASN A 111 18.506 14.938 15.038 1.00 0.29 C ATOM 462 C ASN A 111 17.239 14.519 14.278 1.00 0.30 C ATOM 463 O ASN A 111 16.171 14.417 14.848 1.00 0.35 O ATOM 464 CB ASN A 111 18.707 16.449 14.917 1.00 0.35 C ATOM 465 CG ASN A 111 17.698 17.173 15.811 1.00 0.46 C ATOM 466 OD1 ASN A 111 17.155 16.589 16.728 1.00 1.12 O ATOM 467 ND2 ASN A 111 17.424 18.429 15.582 1.00 0.78 N ATOM 0 H ASN A 111 20.267 14.765 13.829 1.00 0.21 H new ATOM 0 HA ASN A 111 18.394 14.675 16.090 1.00 0.29 H new ATOM 0 HB2 ASN A 111 19.723 16.716 15.208 1.00 0.35 H new ATOM 0 HB3 ASN A 111 18.580 16.761 13.880 1.00 0.35 H new ATOM 0 HD21 ASN A 111 16.754 18.921 16.173 1.00 0.78 H new ATOM 0 HD22 ASN A 111 17.880 18.918 14.812 1.00 0.78 H new ATOM 474 N LEU A 112 17.341 14.301 13.007 1.00 0.28 N ATOM 475 CA LEU A 112 16.134 13.915 12.198 1.00 0.32 C ATOM 476 C LEU A 112 15.520 12.603 12.702 1.00 0.36 C ATOM 477 O LEU A 112 14.503 12.150 12.216 1.00 0.43 O ATOM 478 CB LEU A 112 16.569 13.747 10.733 1.00 0.30 C ATOM 479 CG LEU A 112 16.600 15.122 10.026 1.00 0.29 C ATOM 480 CD1 LEU A 112 17.575 15.084 8.846 1.00 0.22 C ATOM 481 CD2 LEU A 112 15.204 15.485 9.506 1.00 0.45 C ATOM 0 H LEU A 112 18.210 14.371 12.477 1.00 0.28 H new ATOM 0 HA LEU A 112 15.379 14.695 12.293 1.00 0.32 H new ATOM 0 HB2 LEU A 112 17.555 13.285 10.689 1.00 0.30 H new ATOM 0 HB3 LEU A 112 15.881 13.079 10.216 1.00 0.30 H new ATOM 0 HG LEU A 112 16.925 15.871 10.748 1.00 0.29 H new ATOM 0 HD11 LEU A 112 17.590 16.057 8.355 1.00 0.22 H new ATOM 0 HD12 LEU A 112 18.575 14.845 9.208 1.00 0.22 H new ATOM 0 HD13 LEU A 112 17.255 14.323 8.134 1.00 0.22 H new ATOM 0 HD21 LEU A 112 15.241 16.455 9.011 1.00 0.45 H new ATOM 0 HD22 LEU A 112 14.872 14.728 8.796 1.00 0.45 H new ATOM 0 HD23 LEU A 112 14.505 15.531 10.341 1.00 0.45 H new ATOM 493 N GLY A 113 16.098 12.038 13.701 1.00 0.35 N ATOM 494 CA GLY A 113 15.503 10.795 14.276 1.00 0.41 C ATOM 495 C GLY A 113 15.830 9.579 13.419 1.00 0.25 C ATOM 496 O GLY A 113 15.157 8.570 13.496 1.00 0.23 O ATOM 0 H GLY A 113 16.951 12.369 14.152 1.00 0.35 H new ATOM 0 HA2 GLY A 113 15.880 10.642 15.287 1.00 0.41 H new ATOM 0 HA3 GLY A 113 14.422 10.908 14.353 1.00 0.41 H new ATOM 500 N GLU A 114 16.823 9.646 12.594 1.00 0.23 N ATOM 501 CA GLU A 114 17.143 8.481 11.731 1.00 0.16 C ATOM 502 C GLU A 114 17.857 7.439 12.600 1.00 0.17 C ATOM 503 O GLU A 114 18.660 7.776 13.447 1.00 0.30 O ATOM 504 CB GLU A 114 18.112 8.942 10.632 1.00 0.31 C ATOM 505 CG GLU A 114 17.361 9.792 9.603 1.00 0.32 C ATOM 506 CD GLU A 114 18.332 10.247 8.512 1.00 1.29 C ATOM 507 OE1 GLU A 114 19.524 10.059 8.690 1.00 1.69 O ATOM 508 OE2 GLU A 114 17.866 10.777 7.516 1.00 2.29 O ATOM 0 H GLU A 114 17.431 10.456 12.476 1.00 0.23 H new ATOM 0 HA GLU A 114 16.239 8.065 11.287 1.00 0.16 H new ATOM 0 HB2 GLU A 114 18.926 9.520 11.070 1.00 0.31 H new ATOM 0 HB3 GLU A 114 18.562 8.077 10.144 1.00 0.31 H new ATOM 0 HG2 GLU A 114 16.547 9.215 9.163 1.00 0.32 H new ATOM 0 HG3 GLU A 114 16.912 10.658 10.089 1.00 0.32 H new ATOM 515 N LYS A 115 17.553 6.163 12.410 1.00 0.05 N ATOM 516 CA LYS A 115 18.191 5.097 13.236 1.00 0.07 C ATOM 517 C LYS A 115 19.278 4.425 12.426 1.00 0.16 C ATOM 518 O LYS A 115 19.306 3.226 12.233 1.00 0.16 O ATOM 519 CB LYS A 115 17.162 4.075 13.700 1.00 0.13 C ATOM 520 CG LYS A 115 16.132 4.738 14.630 1.00 0.23 C ATOM 521 CD LYS A 115 16.690 4.843 16.055 1.00 0.62 C ATOM 522 CE LYS A 115 15.587 5.334 16.994 1.00 0.67 C ATOM 523 NZ LYS A 115 16.125 5.446 18.380 1.00 1.51 N ATOM 0 H LYS A 115 16.888 5.826 11.714 1.00 0.05 H new ATOM 0 HA LYS A 115 18.628 5.551 14.125 1.00 0.07 H new ATOM 0 HB2 LYS A 115 16.657 3.641 12.837 1.00 0.13 H new ATOM 0 HB3 LYS A 115 17.661 3.258 14.222 1.00 0.13 H new ATOM 0 HG2 LYS A 115 15.881 5.731 14.257 1.00 0.23 H new ATOM 0 HG3 LYS A 115 15.210 4.157 14.635 1.00 0.23 H new ATOM 0 HD2 LYS A 115 17.060 3.872 16.386 1.00 0.62 H new ATOM 0 HD3 LYS A 115 17.535 5.531 16.077 1.00 0.62 H new ATOM 0 HE2 LYS A 115 15.214 6.302 16.659 1.00 0.67 H new ATOM 0 HE3 LYS A 115 14.744 4.643 16.975 1.00 0.67 H new ATOM 0 HZ1 LYS A 115 15.374 5.780 19.018 1.00 1.51 H new ATOM 0 HZ2 LYS A 115 16.461 4.515 18.698 1.00 1.51 H new ATOM 0 HZ3 LYS A 115 16.915 6.122 18.392 1.00 1.51 H new ATOM 537 N LEU A 116 20.199 5.217 12.007 1.00 0.29 N ATOM 538 CA LEU A 116 21.374 4.735 11.249 1.00 0.43 C ATOM 539 C LEU A 116 22.493 4.715 12.314 1.00 0.31 C ATOM 540 O LEU A 116 22.587 5.597 13.145 1.00 0.48 O ATOM 541 CB LEU A 116 21.562 5.688 10.030 1.00 0.69 C ATOM 542 CG LEU A 116 22.944 6.278 9.988 1.00 2.59 C ATOM 543 CD1 LEU A 116 23.925 5.156 9.609 1.00 3.39 C ATOM 544 CD2 LEU A 116 22.999 7.437 8.946 1.00 3.77 C ATOM 0 H LEU A 116 20.190 6.225 12.163 1.00 0.29 H new ATOM 0 HA LEU A 116 21.320 3.744 10.799 1.00 0.43 H new ATOM 0 HB2 LEU A 116 21.373 5.139 9.107 1.00 0.69 H new ATOM 0 HB3 LEU A 116 20.826 6.490 10.080 1.00 0.69 H new ATOM 0 HG LEU A 116 23.214 6.693 10.959 1.00 2.59 H new ATOM 0 HD11 LEU A 116 24.938 5.556 9.571 1.00 3.39 H new ATOM 0 HD12 LEU A 116 23.876 4.363 10.355 1.00 3.39 H new ATOM 0 HD13 LEU A 116 23.657 4.753 8.632 1.00 3.39 H new ATOM 0 HD21 LEU A 116 24.004 7.858 8.923 1.00 3.77 H new ATOM 0 HD22 LEU A 116 22.744 7.051 7.959 1.00 3.77 H new ATOM 0 HD23 LEU A 116 22.287 8.213 9.227 1.00 3.77 H new ATOM 556 N THR A 117 23.289 3.672 12.339 1.00 0.28 N ATOM 557 CA THR A 117 24.343 3.544 13.404 1.00 0.13 C ATOM 558 C THR A 117 25.598 4.380 13.112 1.00 0.22 C ATOM 559 O THR A 117 25.864 4.760 11.997 1.00 0.25 O ATOM 560 CB THR A 117 24.745 2.073 13.527 1.00 0.09 C ATOM 561 OG1 THR A 117 25.053 1.560 12.239 1.00 0.18 O ATOM 562 CG2 THR A 117 23.591 1.275 14.136 1.00 0.30 C ATOM 0 H THR A 117 23.257 2.903 11.670 1.00 0.28 H new ATOM 0 HA THR A 117 23.913 3.921 14.332 1.00 0.13 H new ATOM 0 HB THR A 117 25.620 1.987 14.171 1.00 0.09 H new ATOM 0 HG1 THR A 117 25.313 0.618 12.316 1.00 0.18 H new ATOM 0 HG21 THR A 117 23.879 0.227 14.223 1.00 0.30 H new ATOM 0 HG22 THR A 117 23.357 1.670 15.125 1.00 0.30 H new ATOM 0 HG23 THR A 117 22.713 1.358 13.495 1.00 0.30 H new ATOM 570 N ASP A 118 26.375 4.658 14.136 1.00 0.30 N ATOM 571 CA ASP A 118 27.618 5.475 13.962 1.00 0.39 C ATOM 572 C ASP A 118 28.555 4.797 12.947 1.00 0.35 C ATOM 573 O ASP A 118 29.169 5.459 12.134 1.00 0.38 O ATOM 574 CB ASP A 118 28.332 5.618 15.311 1.00 0.47 C ATOM 575 CG ASP A 118 27.554 6.589 16.203 1.00 0.45 C ATOM 576 OD1 ASP A 118 26.629 7.212 15.706 1.00 1.60 O ATOM 577 OD2 ASP A 118 27.895 6.693 17.369 1.00 0.69 O ATOM 0 H ASP A 118 26.197 4.350 15.092 1.00 0.30 H new ATOM 0 HA ASP A 118 27.347 6.463 13.590 1.00 0.39 H new ATOM 0 HB2 ASP A 118 28.411 4.646 15.797 1.00 0.47 H new ATOM 0 HB3 ASP A 118 29.348 5.982 15.159 1.00 0.47 H new ATOM 582 N GLU A 119 28.703 3.491 12.992 1.00 0.29 N ATOM 583 CA GLU A 119 29.638 2.830 12.028 1.00 0.26 C ATOM 584 C GLU A 119 29.097 3.026 10.618 1.00 0.24 C ATOM 585 O GLU A 119 29.796 3.486 9.737 1.00 0.32 O ATOM 586 CB GLU A 119 29.763 1.339 12.349 1.00 0.24 C ATOM 587 CG GLU A 119 30.531 1.161 13.660 1.00 0.29 C ATOM 588 CD GLU A 119 29.667 1.643 14.826 1.00 0.96 C ATOM 589 OE1 GLU A 119 28.464 1.732 14.648 1.00 1.75 O ATOM 590 OE2 GLU A 119 30.223 1.917 15.878 1.00 1.48 O ATOM 0 H GLU A 119 28.226 2.866 13.642 1.00 0.29 H new ATOM 0 HA GLU A 119 30.629 3.276 12.108 1.00 0.26 H new ATOM 0 HB2 GLU A 119 28.773 0.890 12.431 1.00 0.24 H new ATOM 0 HB3 GLU A 119 30.280 0.824 11.539 1.00 0.24 H new ATOM 0 HG2 GLU A 119 30.797 0.113 13.799 1.00 0.29 H new ATOM 0 HG3 GLU A 119 31.464 1.724 13.627 1.00 0.29 H new ATOM 597 N GLU A 120 27.851 2.715 10.394 1.00 0.22 N ATOM 598 CA GLU A 120 27.279 2.925 9.039 1.00 0.23 C ATOM 599 C GLU A 120 27.567 4.376 8.628 1.00 0.25 C ATOM 600 O GLU A 120 27.976 4.639 7.516 1.00 0.32 O ATOM 601 CB GLU A 120 25.771 2.667 9.083 1.00 0.23 C ATOM 602 CG GLU A 120 25.492 1.163 8.978 1.00 0.24 C ATOM 603 CD GLU A 120 25.819 0.679 7.564 1.00 0.35 C ATOM 604 OE1 GLU A 120 25.210 1.179 6.633 1.00 0.62 O ATOM 605 OE2 GLU A 120 26.674 -0.182 7.437 1.00 0.68 O ATOM 0 H GLU A 120 27.210 2.327 11.086 1.00 0.22 H new ATOM 0 HA GLU A 120 27.723 2.242 8.315 1.00 0.23 H new ATOM 0 HB2 GLU A 120 25.354 3.059 10.011 1.00 0.23 H new ATOM 0 HB3 GLU A 120 25.280 3.194 8.265 1.00 0.23 H new ATOM 0 HG2 GLU A 120 26.092 0.619 9.707 1.00 0.24 H new ATOM 0 HG3 GLU A 120 24.447 0.959 9.211 1.00 0.24 H new ATOM 612 N VAL A 121 27.397 5.322 9.527 1.00 0.19 N ATOM 613 CA VAL A 121 27.713 6.736 9.164 1.00 0.19 C ATOM 614 C VAL A 121 29.187 6.805 8.785 1.00 0.20 C ATOM 615 O VAL A 121 29.557 7.406 7.796 1.00 0.23 O ATOM 616 CB VAL A 121 27.482 7.703 10.342 1.00 0.18 C ATOM 617 CG1 VAL A 121 27.957 9.106 9.937 1.00 0.44 C ATOM 618 CG2 VAL A 121 25.996 7.762 10.710 1.00 0.44 C ATOM 0 H VAL A 121 27.059 5.176 10.478 1.00 0.19 H new ATOM 0 HA VAL A 121 27.058 7.032 8.345 1.00 0.19 H new ATOM 0 HB VAL A 121 28.042 7.347 11.206 1.00 0.18 H new ATOM 0 HG11 VAL A 121 27.797 9.797 10.765 1.00 0.44 H new ATOM 0 HG12 VAL A 121 29.018 9.074 9.691 1.00 0.44 H new ATOM 0 HG13 VAL A 121 27.393 9.444 9.068 1.00 0.44 H new ATOM 0 HG21 VAL A 121 25.855 8.450 11.544 1.00 0.44 H new ATOM 0 HG22 VAL A 121 25.422 8.110 9.851 1.00 0.44 H new ATOM 0 HG23 VAL A 121 25.653 6.768 10.998 1.00 0.44 H new ATOM 628 N ASP A 122 30.035 6.198 9.564 1.00 0.18 N ATOM 629 CA ASP A 122 31.486 6.227 9.259 1.00 0.18 C ATOM 630 C ASP A 122 31.729 5.590 7.883 1.00 0.19 C ATOM 631 O ASP A 122 32.516 6.075 7.096 1.00 0.22 O ATOM 632 CB ASP A 122 32.257 5.446 10.332 1.00 0.21 C ATOM 633 CG ASP A 122 32.221 6.222 11.650 1.00 0.33 C ATOM 634 OD1 ASP A 122 31.998 7.420 11.603 1.00 1.29 O ATOM 635 OD2 ASP A 122 32.416 5.604 12.684 1.00 0.80 O ATOM 0 H ASP A 122 29.781 5.680 10.405 1.00 0.18 H new ATOM 0 HA ASP A 122 31.834 7.260 9.249 1.00 0.18 H new ATOM 0 HB2 ASP A 122 31.815 4.459 10.466 1.00 0.21 H new ATOM 0 HB3 ASP A 122 33.289 5.293 10.015 1.00 0.21 H new ATOM 640 N GLU A 123 31.029 4.525 7.575 1.00 0.18 N ATOM 641 CA GLU A 123 31.186 3.877 6.237 1.00 0.19 C ATOM 642 C GLU A 123 30.677 4.864 5.175 1.00 0.17 C ATOM 643 O GLU A 123 31.284 5.029 4.134 1.00 0.18 O ATOM 644 CB GLU A 123 30.353 2.579 6.196 1.00 0.20 C ATOM 645 CG GLU A 123 31.191 1.395 6.705 1.00 1.72 C ATOM 646 CD GLU A 123 30.349 0.120 6.658 1.00 2.29 C ATOM 647 OE1 GLU A 123 29.158 0.229 6.419 1.00 3.19 O ATOM 648 OE2 GLU A 123 30.910 -0.944 6.862 1.00 2.51 O ATOM 0 H GLU A 123 30.354 4.076 8.195 1.00 0.18 H new ATOM 0 HA GLU A 123 32.230 3.626 6.047 1.00 0.19 H new ATOM 0 HB2 GLU A 123 29.459 2.692 6.810 1.00 0.20 H new ATOM 0 HB3 GLU A 123 30.018 2.385 5.177 1.00 0.20 H new ATOM 0 HG2 GLU A 123 32.084 1.277 6.092 1.00 1.72 H new ATOM 0 HG3 GLU A 123 31.527 1.585 7.724 1.00 1.72 H new ATOM 655 N MET A 124 29.589 5.541 5.431 1.00 0.14 N ATOM 656 CA MET A 124 29.083 6.528 4.432 1.00 0.12 C ATOM 657 C MET A 124 30.061 7.694 4.345 1.00 0.09 C ATOM 658 O MET A 124 30.203 8.328 3.318 1.00 0.09 O ATOM 659 CB MET A 124 27.700 7.021 4.841 1.00 0.11 C ATOM 660 CG MET A 124 26.719 5.843 4.877 1.00 0.17 C ATOM 661 SD MET A 124 25.251 6.301 5.831 1.00 1.63 S ATOM 662 CE MET A 124 24.333 4.761 5.581 1.00 1.81 C ATOM 0 H MET A 124 29.032 5.455 6.281 1.00 0.14 H new ATOM 0 HA MET A 124 29.002 6.054 3.454 1.00 0.12 H new ATOM 0 HB2 MET A 124 27.748 7.496 5.821 1.00 0.11 H new ATOM 0 HB3 MET A 124 27.350 7.776 4.137 1.00 0.11 H new ATOM 0 HG2 MET A 124 26.433 5.564 3.863 1.00 0.17 H new ATOM 0 HG3 MET A 124 27.198 4.972 5.324 1.00 0.17 H new ATOM 0 HE1 MET A 124 23.340 4.988 5.193 1.00 1.81 H new ATOM 0 HE2 MET A 124 24.866 4.131 4.868 1.00 1.81 H new ATOM 0 HE3 MET A 124 24.240 4.235 6.531 1.00 1.81 H new ATOM 672 N ILE A 125 30.747 7.973 5.417 1.00 0.09 N ATOM 673 CA ILE A 125 31.729 9.088 5.393 1.00 0.07 C ATOM 674 C ILE A 125 32.997 8.672 4.630 1.00 0.08 C ATOM 675 O ILE A 125 33.551 9.441 3.870 1.00 0.08 O ATOM 676 CB ILE A 125 32.090 9.491 6.834 1.00 0.07 C ATOM 677 CG1 ILE A 125 30.922 10.281 7.441 1.00 0.06 C ATOM 678 CG2 ILE A 125 33.367 10.358 6.844 1.00 0.09 C ATOM 679 CD1 ILE A 125 31.158 10.475 8.941 1.00 0.07 C ATOM 0 H ILE A 125 30.670 7.478 6.306 1.00 0.09 H new ATOM 0 HA ILE A 125 31.282 9.940 4.881 1.00 0.07 H new ATOM 0 HB ILE A 125 32.275 8.593 7.423 1.00 0.07 H new ATOM 0 HG12 ILE A 125 30.830 11.249 6.949 1.00 0.06 H new ATOM 0 HG13 ILE A 125 29.985 9.749 7.276 1.00 0.06 H new ATOM 0 HG21 ILE A 125 33.610 10.636 7.870 1.00 0.09 H new ATOM 0 HG22 ILE A 125 34.194 9.792 6.415 1.00 0.09 H new ATOM 0 HG23 ILE A 125 33.200 11.259 6.254 1.00 0.09 H new ATOM 0 HD11 ILE A 125 30.328 11.036 9.370 1.00 0.07 H new ATOM 0 HD12 ILE A 125 31.228 9.502 9.427 1.00 0.07 H new ATOM 0 HD13 ILE A 125 32.086 11.025 9.095 1.00 0.07 H new ATOM 691 N ARG A 126 33.475 7.478 4.843 1.00 0.13 N ATOM 692 CA ARG A 126 34.721 7.046 4.142 1.00 0.15 C ATOM 693 C ARG A 126 34.484 7.055 2.630 1.00 0.10 C ATOM 694 O ARG A 126 35.371 7.390 1.870 1.00 0.09 O ATOM 695 CB ARG A 126 35.121 5.636 4.610 1.00 0.22 C ATOM 696 CG ARG A 126 35.905 5.719 5.927 1.00 0.47 C ATOM 697 CD ARG A 126 36.075 4.313 6.506 1.00 0.81 C ATOM 698 NE ARG A 126 36.990 4.361 7.681 1.00 1.67 N ATOM 699 CZ ARG A 126 37.033 3.358 8.516 1.00 2.87 C ATOM 700 NH1 ARG A 126 36.274 2.314 8.324 1.00 4.42 N ATOM 701 NH2 ARG A 126 37.835 3.400 9.545 1.00 3.16 N ATOM 0 H ARG A 126 33.062 6.785 5.467 1.00 0.13 H new ATOM 0 HA ARG A 126 35.531 7.736 4.380 1.00 0.15 H new ATOM 0 HB2 ARG A 126 34.230 5.023 4.746 1.00 0.22 H new ATOM 0 HB3 ARG A 126 35.728 5.150 3.846 1.00 0.22 H new ATOM 0 HG2 ARG A 126 36.880 6.174 5.754 1.00 0.47 H new ATOM 0 HG3 ARG A 126 35.378 6.356 6.637 1.00 0.47 H new ATOM 0 HD2 ARG A 126 35.106 3.912 6.804 1.00 0.81 H new ATOM 0 HD3 ARG A 126 36.478 3.643 5.747 1.00 0.81 H new ATOM 0 HE ARG A 126 37.583 5.177 7.833 1.00 1.67 H new ATOM 0 HH11 ARG A 126 35.646 2.281 7.521 1.00 4.42 H new ATOM 0 HH12 ARG A 126 36.309 1.531 8.977 1.00 4.42 H new ATOM 0 HH21 ARG A 126 38.428 4.216 9.697 1.00 3.16 H new ATOM 0 HH22 ARG A 126 37.869 2.617 10.197 1.00 3.16 H new ATOM 715 N GLU A 127 33.313 6.687 2.165 1.00 0.11 N ATOM 716 CA GLU A 127 33.069 6.680 0.695 1.00 0.09 C ATOM 717 C GLU A 127 32.826 8.134 0.223 1.00 0.09 C ATOM 718 O GLU A 127 33.056 8.461 -0.925 1.00 0.12 O ATOM 719 CB GLU A 127 31.843 5.801 0.365 1.00 0.16 C ATOM 720 CG GLU A 127 32.257 4.326 0.341 1.00 0.26 C ATOM 721 CD GLU A 127 31.034 3.458 0.038 1.00 0.81 C ATOM 722 OE1 GLU A 127 29.934 3.985 0.077 1.00 0.98 O ATOM 723 OE2 GLU A 127 31.218 2.282 -0.227 1.00 1.95 O ATOM 0 H GLU A 127 32.523 6.394 2.739 1.00 0.11 H new ATOM 0 HA GLU A 127 33.936 6.267 0.180 1.00 0.09 H new ATOM 0 HB2 GLU A 127 31.061 5.957 1.108 1.00 0.16 H new ATOM 0 HB3 GLU A 127 31.427 6.088 -0.601 1.00 0.16 H new ATOM 0 HG2 GLU A 127 33.026 4.165 -0.414 1.00 0.26 H new ATOM 0 HG3 GLU A 127 32.689 4.043 1.301 1.00 0.26 H new ATOM 730 N ALA A 128 32.427 9.020 1.106 1.00 0.08 N ATOM 731 CA ALA A 128 32.242 10.447 0.743 1.00 0.11 C ATOM 732 C ALA A 128 33.581 11.149 0.986 1.00 0.11 C ATOM 733 O ALA A 128 34.343 10.707 1.822 1.00 0.09 O ATOM 734 CB ALA A 128 31.193 11.063 1.709 1.00 0.11 C ATOM 0 H ALA A 128 32.220 8.801 2.081 1.00 0.08 H new ATOM 0 HA ALA A 128 31.915 10.555 -0.291 1.00 0.11 H new ATOM 0 HB1 ALA A 128 31.041 12.113 1.460 1.00 0.11 H new ATOM 0 HB2 ALA A 128 30.249 10.527 1.611 1.00 0.11 H new ATOM 0 HB3 ALA A 128 31.551 10.982 2.735 1.00 0.11 H new ATOM 740 N ASP A 129 33.900 12.219 0.320 1.00 0.15 N ATOM 741 CA ASP A 129 35.199 12.893 0.585 1.00 0.20 C ATOM 742 C ASP A 129 34.947 13.877 1.708 1.00 0.20 C ATOM 743 O ASP A 129 34.151 14.789 1.610 1.00 0.24 O ATOM 744 CB ASP A 129 35.687 13.615 -0.670 1.00 0.28 C ATOM 745 CG ASP A 129 34.506 14.297 -1.363 1.00 1.08 C ATOM 746 OD1 ASP A 129 33.436 14.325 -0.777 1.00 1.93 O ATOM 747 OD2 ASP A 129 34.691 14.779 -2.468 1.00 1.71 O ATOM 0 H ASP A 129 33.319 12.656 -0.396 1.00 0.15 H new ATOM 0 HA ASP A 129 35.971 12.175 0.862 1.00 0.20 H new ATOM 0 HB2 ASP A 129 36.443 14.355 -0.405 1.00 0.28 H new ATOM 0 HB3 ASP A 129 36.160 12.905 -1.349 1.00 0.28 H new ATOM 752 N ILE A 130 35.588 13.612 2.809 1.00 0.18 N ATOM 753 CA ILE A 130 35.370 14.433 4.022 1.00 0.19 C ATOM 754 C ILE A 130 36.674 14.782 4.780 1.00 0.30 C ATOM 755 O ILE A 130 37.169 15.886 4.668 1.00 0.45 O ATOM 756 CB ILE A 130 34.359 13.651 4.885 1.00 0.09 C ATOM 757 CG1 ILE A 130 33.102 13.409 4.022 1.00 0.10 C ATOM 758 CG2 ILE A 130 34.020 14.464 6.124 1.00 0.06 C ATOM 759 CD1 ILE A 130 31.897 12.939 4.857 1.00 0.13 C ATOM 0 H ILE A 130 36.260 12.853 2.918 1.00 0.18 H new ATOM 0 HA ILE A 130 34.978 15.414 3.752 1.00 0.19 H new ATOM 0 HB ILE A 130 34.771 12.696 5.212 1.00 0.09 H new ATOM 0 HG12 ILE A 130 32.841 14.329 3.499 1.00 0.10 H new ATOM 0 HG13 ILE A 130 33.326 12.662 3.260 1.00 0.10 H new ATOM 0 HG21 ILE A 130 33.305 13.914 6.736 1.00 0.06 H new ATOM 0 HG22 ILE A 130 34.928 14.645 6.700 1.00 0.06 H new ATOM 0 HG23 ILE A 130 33.584 15.417 5.826 1.00 0.06 H new ATOM 0 HD11 ILE A 130 31.039 12.783 4.203 1.00 0.13 H new ATOM 0 HD12 ILE A 130 32.145 12.004 5.359 1.00 0.13 H new ATOM 0 HD13 ILE A 130 31.652 13.697 5.601 1.00 0.13 H new ATOM 771 N ASP A 131 37.239 13.880 5.542 1.00 0.31 N ATOM 772 CA ASP A 131 38.491 14.238 6.259 1.00 0.41 C ATOM 773 C ASP A 131 39.580 14.120 5.213 1.00 0.65 C ATOM 774 O ASP A 131 39.919 13.064 4.718 1.00 0.73 O ATOM 775 CB ASP A 131 38.834 13.330 7.442 1.00 0.32 C ATOM 776 CG ASP A 131 39.699 14.095 8.450 1.00 0.39 C ATOM 777 OD1 ASP A 131 39.371 15.235 8.736 1.00 1.15 O ATOM 778 OD2 ASP A 131 40.672 13.527 8.917 1.00 1.08 O ATOM 0 H ASP A 131 36.894 12.932 5.694 1.00 0.31 H new ATOM 0 HA ASP A 131 38.381 15.231 6.694 1.00 0.41 H new ATOM 0 HB2 ASP A 131 37.919 12.983 7.923 1.00 0.32 H new ATOM 0 HB3 ASP A 131 39.365 12.445 7.091 1.00 0.32 H new ATOM 783 N GLY A 132 40.059 15.227 4.870 1.00 0.76 N ATOM 784 CA GLY A 132 41.095 15.378 3.822 1.00 1.00 C ATOM 785 C GLY A 132 40.777 16.645 3.025 1.00 0.97 C ATOM 786 O GLY A 132 41.532 17.073 2.175 1.00 1.15 O ATOM 0 H GLY A 132 39.770 16.111 5.288 1.00 0.76 H new ATOM 0 HA2 GLY A 132 42.085 15.449 4.272 1.00 1.00 H new ATOM 0 HA3 GLY A 132 41.104 14.507 3.166 1.00 1.00 H new ATOM 790 N ASP A 133 39.624 17.228 3.288 1.00 0.75 N ATOM 791 CA ASP A 133 39.163 18.456 2.566 1.00 0.73 C ATOM 792 C ASP A 133 38.455 19.446 3.524 1.00 0.44 C ATOM 793 O ASP A 133 38.606 20.644 3.387 1.00 0.36 O ATOM 794 CB ASP A 133 38.166 18.032 1.484 1.00 0.86 C ATOM 795 CG ASP A 133 38.906 17.287 0.372 1.00 1.64 C ATOM 796 OD1 ASP A 133 40.113 17.440 0.284 1.00 2.49 O ATOM 797 OD2 ASP A 133 38.253 16.573 -0.372 1.00 2.01 O ATOM 0 H ASP A 133 38.969 16.890 3.993 1.00 0.75 H new ATOM 0 HA ASP A 133 40.033 18.954 2.138 1.00 0.73 H new ATOM 0 HB2 ASP A 133 37.396 17.392 1.915 1.00 0.86 H new ATOM 0 HB3 ASP A 133 37.661 18.908 1.076 1.00 0.86 H new ATOM 802 N GLY A 134 37.751 18.971 4.536 1.00 0.31 N ATOM 803 CA GLY A 134 37.124 19.912 5.540 1.00 0.06 C ATOM 804 C GLY A 134 35.606 20.103 5.350 1.00 0.07 C ATOM 805 O GLY A 134 34.867 19.931 6.299 1.00 0.14 O ATOM 0 H GLY A 134 37.584 17.980 4.711 1.00 0.31 H new ATOM 0 HA2 GLY A 134 37.310 19.533 6.545 1.00 0.06 H new ATOM 0 HA3 GLY A 134 37.615 20.883 5.470 1.00 0.06 H new ATOM 809 N GLN A 135 35.116 20.494 4.190 1.00 0.08 N ATOM 810 CA GLN A 135 33.628 20.730 4.042 1.00 0.14 C ATOM 811 C GLN A 135 32.988 19.736 3.059 1.00 0.15 C ATOM 812 O GLN A 135 33.565 19.399 2.043 1.00 0.19 O ATOM 813 CB GLN A 135 33.403 22.153 3.524 1.00 0.20 C ATOM 814 CG GLN A 135 34.131 23.155 4.429 1.00 0.36 C ATOM 815 CD GLN A 135 33.553 24.556 4.214 1.00 0.49 C ATOM 816 OE1 GLN A 135 33.405 25.000 3.093 1.00 0.61 O ATOM 817 NE2 GLN A 135 33.216 25.277 5.249 1.00 1.71 N ATOM 0 H GLN A 135 35.669 20.659 3.349 1.00 0.08 H new ATOM 0 HA GLN A 135 33.163 20.589 5.018 1.00 0.14 H new ATOM 0 HB2 GLN A 135 33.769 22.240 2.501 1.00 0.20 H new ATOM 0 HB3 GLN A 135 32.337 22.377 3.501 1.00 0.20 H new ATOM 0 HG2 GLN A 135 34.023 22.862 5.473 1.00 0.36 H new ATOM 0 HG3 GLN A 135 35.198 23.153 4.206 1.00 0.36 H new ATOM 0 HE21 GLN A 135 33.339 24.906 6.191 1.00 1.71 H new ATOM 0 HE22 GLN A 135 32.829 26.211 5.116 1.00 1.71 H new ATOM 826 N VAL A 136 31.801 19.264 3.361 1.00 0.20 N ATOM 827 CA VAL A 136 31.107 18.281 2.455 1.00 0.21 C ATOM 828 C VAL A 136 29.817 18.886 1.911 1.00 0.30 C ATOM 829 O VAL A 136 29.108 19.586 2.606 1.00 0.35 O ATOM 830 CB VAL A 136 30.750 17.004 3.235 1.00 0.14 C ATOM 831 CG1 VAL A 136 30.613 15.801 2.289 1.00 0.12 C ATOM 832 CG2 VAL A 136 31.834 16.702 4.262 1.00 0.09 C ATOM 0 H VAL A 136 31.277 19.516 4.199 1.00 0.20 H new ATOM 0 HA VAL A 136 31.782 18.041 1.633 1.00 0.21 H new ATOM 0 HB VAL A 136 29.797 17.173 3.736 1.00 0.14 H new ATOM 0 HG11 VAL A 136 30.360 14.911 2.866 1.00 0.12 H new ATOM 0 HG12 VAL A 136 29.825 15.998 1.562 1.00 0.12 H new ATOM 0 HG13 VAL A 136 31.556 15.639 1.767 1.00 0.12 H new ATOM 0 HG21 VAL A 136 31.574 15.796 4.810 1.00 0.09 H new ATOM 0 HG22 VAL A 136 32.787 16.557 3.753 1.00 0.09 H new ATOM 0 HG23 VAL A 136 31.918 17.536 4.959 1.00 0.09 H new ATOM 842 N ASN A 137 29.468 18.568 0.696 1.00 0.35 N ATOM 843 CA ASN A 137 28.201 19.058 0.151 1.00 0.46 C ATOM 844 C ASN A 137 27.099 18.135 0.663 1.00 0.46 C ATOM 845 O ASN A 137 27.020 16.979 0.298 1.00 0.77 O ATOM 846 CB ASN A 137 28.247 19.033 -1.364 1.00 0.55 C ATOM 847 CG ASN A 137 28.998 17.789 -1.838 1.00 1.43 C ATOM 848 OD1 ASN A 137 29.575 17.784 -2.907 1.00 1.43 O ATOM 849 ND2 ASN A 137 29.019 16.727 -1.081 1.00 2.45 N ATOM 0 H ASN A 137 30.018 17.986 0.064 1.00 0.35 H new ATOM 0 HA ASN A 137 28.014 20.085 0.464 1.00 0.46 H new ATOM 0 HB2 ASN A 137 27.235 19.034 -1.768 1.00 0.55 H new ATOM 0 HB3 ASN A 137 28.740 19.931 -1.737 1.00 0.55 H new ATOM 0 HD21 ASN A 137 29.520 15.893 -1.387 1.00 2.45 H new ATOM 0 HD22 ASN A 137 28.535 16.731 -0.183 1.00 2.45 H new ATOM 856 N TYR A 138 26.310 18.611 1.559 1.00 0.42 N ATOM 857 CA TYR A 138 25.268 17.760 2.186 1.00 0.38 C ATOM 858 C TYR A 138 24.282 17.198 1.162 1.00 0.37 C ATOM 859 O TYR A 138 23.591 16.242 1.438 1.00 0.31 O ATOM 860 CB TYR A 138 24.511 18.580 3.241 1.00 0.43 C ATOM 861 CG TYR A 138 23.864 19.784 2.595 1.00 0.33 C ATOM 862 CD1 TYR A 138 22.636 19.645 1.949 1.00 0.99 C ATOM 863 CD2 TYR A 138 24.489 21.035 2.641 1.00 1.03 C ATOM 864 CE1 TYR A 138 22.029 20.746 1.342 1.00 1.16 C ATOM 865 CE2 TYR A 138 23.888 22.139 2.035 1.00 0.86 C ATOM 866 CZ TYR A 138 22.657 21.998 1.381 1.00 0.40 C ATOM 867 OH TYR A 138 22.061 23.090 0.782 1.00 0.53 O ATOM 0 H TYR A 138 26.336 19.573 1.897 1.00 0.42 H new ATOM 0 HA TYR A 138 25.768 16.911 2.651 1.00 0.38 H new ATOM 0 HB2 TYR A 138 23.751 17.961 3.718 1.00 0.43 H new ATOM 0 HB3 TYR A 138 25.197 18.902 4.024 1.00 0.43 H new ATOM 0 HD1 TYR A 138 22.152 18.680 1.918 1.00 0.99 H new ATOM 0 HD2 TYR A 138 25.437 21.146 3.146 1.00 1.03 H new ATOM 0 HE1 TYR A 138 21.078 20.633 0.844 1.00 1.16 H new ATOM 0 HE2 TYR A 138 24.372 23.104 2.070 1.00 0.86 H new ATOM 0 HH TYR A 138 22.629 23.880 0.903 1.00 0.53 H new ATOM 877 N GLU A 139 24.173 17.774 0.005 1.00 0.47 N ATOM 878 CA GLU A 139 23.182 17.249 -0.964 1.00 0.48 C ATOM 879 C GLU A 139 23.459 15.774 -1.323 1.00 0.39 C ATOM 880 O GLU A 139 22.544 14.976 -1.368 1.00 0.35 O ATOM 881 CB GLU A 139 23.196 18.120 -2.229 1.00 0.52 C ATOM 882 CG GLU A 139 21.855 18.000 -2.947 1.00 1.36 C ATOM 883 CD GLU A 139 21.875 18.854 -4.216 1.00 1.39 C ATOM 884 OE1 GLU A 139 22.854 19.553 -4.421 1.00 2.90 O ATOM 885 OE2 GLU A 139 20.911 18.793 -4.962 1.00 0.77 O ATOM 0 H GLU A 139 24.719 18.576 -0.310 1.00 0.47 H new ATOM 0 HA GLU A 139 22.196 17.289 -0.501 1.00 0.48 H new ATOM 0 HB2 GLU A 139 23.387 19.160 -1.965 1.00 0.52 H new ATOM 0 HB3 GLU A 139 24.004 17.806 -2.890 1.00 0.52 H new ATOM 0 HG2 GLU A 139 21.659 16.958 -3.201 1.00 1.36 H new ATOM 0 HG3 GLU A 139 21.049 18.326 -2.290 1.00 1.36 H new ATOM 892 N GLU A 140 24.686 15.384 -1.590 1.00 0.40 N ATOM 893 CA GLU A 140 24.954 13.954 -1.947 1.00 0.34 C ATOM 894 C GLU A 140 24.554 13.047 -0.778 1.00 0.33 C ATOM 895 O GLU A 140 24.014 11.976 -0.971 1.00 0.31 O ATOM 896 CB GLU A 140 26.444 13.773 -2.255 1.00 0.37 C ATOM 897 CG GLU A 140 26.787 14.486 -3.566 1.00 1.00 C ATOM 898 CD GLU A 140 26.711 16.000 -3.357 1.00 1.49 C ATOM 899 OE1 GLU A 140 26.781 16.425 -2.216 1.00 2.77 O ATOM 900 OE2 GLU A 140 26.585 16.707 -4.342 1.00 1.46 O ATOM 0 H GLU A 140 25.506 15.990 -1.576 1.00 0.40 H new ATOM 0 HA GLU A 140 24.369 13.685 -2.826 1.00 0.34 H new ATOM 0 HB2 GLU A 140 27.046 14.177 -1.441 1.00 0.37 H new ATOM 0 HB3 GLU A 140 26.684 12.712 -2.332 1.00 0.37 H new ATOM 0 HG2 GLU A 140 27.787 14.203 -3.896 1.00 1.00 H new ATOM 0 HG3 GLU A 140 26.094 14.181 -4.351 1.00 1.00 H new ATOM 907 N PHE A 141 24.799 13.471 0.437 1.00 0.36 N ATOM 908 CA PHE A 141 24.412 12.626 1.611 1.00 0.36 C ATOM 909 C PHE A 141 22.874 12.575 1.684 1.00 0.36 C ATOM 910 O PHE A 141 22.297 11.586 2.086 1.00 0.38 O ATOM 911 CB PHE A 141 25.024 13.214 2.912 1.00 0.37 C ATOM 912 CG PHE A 141 26.170 12.346 3.428 1.00 0.28 C ATOM 913 CD1 PHE A 141 25.886 11.172 4.141 1.00 0.35 C ATOM 914 CD2 PHE A 141 27.512 12.724 3.219 1.00 0.13 C ATOM 915 CE1 PHE A 141 26.933 10.383 4.642 1.00 0.27 C ATOM 916 CE2 PHE A 141 28.553 11.921 3.723 1.00 0.04 C ATOM 917 CZ PHE A 141 28.257 10.762 4.430 1.00 0.12 C ATOM 0 H PHE A 141 25.247 14.358 0.667 1.00 0.36 H new ATOM 0 HA PHE A 141 24.797 11.613 1.499 1.00 0.36 H new ATOM 0 HB2 PHE A 141 25.387 14.224 2.721 1.00 0.37 H new ATOM 0 HB3 PHE A 141 24.251 13.292 3.677 1.00 0.37 H new ATOM 0 HD1 PHE A 141 24.861 10.875 4.305 1.00 0.35 H new ATOM 0 HD2 PHE A 141 27.741 13.628 2.674 1.00 0.13 H new ATOM 0 HE1 PHE A 141 26.712 9.481 5.193 1.00 0.27 H new ATOM 0 HE2 PHE A 141 29.582 12.206 3.560 1.00 0.04 H new ATOM 0 HZ PHE A 141 29.059 10.151 4.818 1.00 0.12 H new ATOM 927 N VAL A 142 22.208 13.628 1.279 1.00 0.35 N ATOM 928 CA VAL A 142 20.713 13.633 1.308 1.00 0.35 C ATOM 929 C VAL A 142 20.175 12.674 0.242 1.00 0.34 C ATOM 930 O VAL A 142 19.247 11.920 0.463 1.00 0.35 O ATOM 931 CB VAL A 142 20.204 15.049 0.994 1.00 0.36 C ATOM 932 CG1 VAL A 142 18.696 15.025 0.692 1.00 0.40 C ATOM 933 CG2 VAL A 142 20.444 15.935 2.204 1.00 0.31 C ATOM 0 H VAL A 142 22.636 14.485 0.929 1.00 0.35 H new ATOM 0 HA VAL A 142 20.372 13.320 2.295 1.00 0.35 H new ATOM 0 HB VAL A 142 20.736 15.432 0.123 1.00 0.36 H new ATOM 0 HG11 VAL A 142 18.353 16.036 0.472 1.00 0.40 H new ATOM 0 HG12 VAL A 142 18.507 14.382 -0.168 1.00 0.40 H new ATOM 0 HG13 VAL A 142 18.158 14.640 1.558 1.00 0.40 H new ATOM 0 HG21 VAL A 142 20.087 16.943 1.993 1.00 0.31 H new ATOM 0 HG22 VAL A 142 19.907 15.532 3.063 1.00 0.31 H new ATOM 0 HG23 VAL A 142 21.511 15.967 2.426 1.00 0.31 H new ATOM 943 N GLN A 143 20.760 12.729 -0.926 1.00 0.31 N ATOM 944 CA GLN A 143 20.314 11.865 -2.049 1.00 0.27 C ATOM 945 C GLN A 143 20.499 10.388 -1.696 1.00 0.30 C ATOM 946 O GLN A 143 19.672 9.557 -2.014 1.00 0.31 O ATOM 947 CB GLN A 143 21.163 12.180 -3.282 1.00 0.25 C ATOM 948 CG GLN A 143 20.808 13.571 -3.804 1.00 0.22 C ATOM 949 CD GLN A 143 21.657 13.891 -5.035 1.00 0.40 C ATOM 950 OE1 GLN A 143 22.713 13.320 -5.226 1.00 0.82 O ATOM 951 NE2 GLN A 143 21.238 14.787 -5.885 1.00 1.57 N ATOM 0 H GLN A 143 21.540 13.347 -1.148 1.00 0.31 H new ATOM 0 HA GLN A 143 19.259 12.057 -2.244 1.00 0.27 H new ATOM 0 HB2 GLN A 143 22.222 12.135 -3.028 1.00 0.25 H new ATOM 0 HB3 GLN A 143 20.988 11.434 -4.057 1.00 0.25 H new ATOM 0 HG2 GLN A 143 19.749 13.615 -4.059 1.00 0.22 H new ATOM 0 HG3 GLN A 143 20.980 14.316 -3.028 1.00 0.22 H new ATOM 0 HE21 GLN A 143 20.352 15.266 -5.725 1.00 1.57 H new ATOM 0 HE22 GLN A 143 21.796 15.008 -6.709 1.00 1.57 H new ATOM 960 N MET A 144 21.591 10.048 -1.062 1.00 0.32 N ATOM 961 CA MET A 144 21.838 8.617 -0.718 1.00 0.34 C ATOM 962 C MET A 144 20.842 8.152 0.353 1.00 0.34 C ATOM 963 O MET A 144 20.374 7.031 0.325 1.00 0.38 O ATOM 964 CB MET A 144 23.279 8.430 -0.207 1.00 0.33 C ATOM 965 CG MET A 144 24.240 8.267 -1.392 1.00 0.35 C ATOM 966 SD MET A 144 25.921 8.007 -0.773 1.00 0.27 S ATOM 967 CE MET A 144 26.414 9.746 -0.725 1.00 0.79 C ATOM 0 H MET A 144 22.320 10.698 -0.768 1.00 0.32 H new ATOM 0 HA MET A 144 21.702 8.016 -1.617 1.00 0.34 H new ATOM 0 HB2 MET A 144 23.574 9.289 0.395 1.00 0.33 H new ATOM 0 HB3 MET A 144 23.334 7.554 0.439 1.00 0.33 H new ATOM 0 HG2 MET A 144 23.933 7.423 -2.009 1.00 0.35 H new ATOM 0 HG3 MET A 144 24.207 9.153 -2.025 1.00 0.35 H new ATOM 0 HE1 MET A 144 27.427 9.826 -0.331 1.00 0.79 H new ATOM 0 HE2 MET A 144 26.382 10.161 -1.732 1.00 0.79 H new ATOM 0 HE3 MET A 144 25.730 10.300 -0.082 1.00 0.79 H new ATOM 977 N MET A 145 20.521 8.985 1.301 1.00 0.31 N ATOM 978 CA MET A 145 19.569 8.553 2.361 1.00 0.31 C ATOM 979 C MET A 145 18.162 8.420 1.778 1.00 0.35 C ATOM 980 O MET A 145 17.374 7.617 2.237 1.00 0.36 O ATOM 981 CB MET A 145 19.561 9.571 3.518 1.00 0.29 C ATOM 982 CG MET A 145 20.913 9.555 4.269 1.00 0.26 C ATOM 983 SD MET A 145 20.619 9.740 6.046 1.00 0.24 S ATOM 984 CE MET A 145 20.222 11.504 6.011 1.00 0.19 C ATOM 0 H MET A 145 20.873 9.938 1.389 1.00 0.31 H new ATOM 0 HA MET A 145 19.890 7.585 2.745 1.00 0.31 H new ATOM 0 HB2 MET A 145 19.367 10.570 3.128 1.00 0.29 H new ATOM 0 HB3 MET A 145 18.752 9.336 4.210 1.00 0.29 H new ATOM 0 HG2 MET A 145 21.439 8.621 4.072 1.00 0.26 H new ATOM 0 HG3 MET A 145 21.551 10.362 3.909 1.00 0.26 H new ATOM 0 HE1 MET A 145 20.035 11.855 7.026 1.00 0.19 H new ATOM 0 HE2 MET A 145 21.059 12.057 5.584 1.00 0.19 H new ATOM 0 HE3 MET A 145 19.332 11.665 5.402 1.00 0.19 H new ATOM 994 N THR A 146 17.822 9.196 0.779 1.00 0.40 N ATOM 995 CA THR A 146 16.459 9.093 0.204 1.00 0.46 C ATOM 996 C THR A 146 16.343 7.797 -0.610 1.00 0.56 C ATOM 997 O THR A 146 15.377 7.065 -0.521 1.00 0.82 O ATOM 998 CB THR A 146 16.215 10.338 -0.671 1.00 0.40 C ATOM 999 OG1 THR A 146 17.438 11.045 -0.811 1.00 0.52 O ATOM 1000 CG2 THR A 146 15.181 11.259 -0.016 1.00 0.42 C ATOM 0 H THR A 146 18.430 9.890 0.344 1.00 0.40 H new ATOM 0 HA THR A 146 15.703 9.057 0.988 1.00 0.46 H new ATOM 0 HB THR A 146 15.841 10.022 -1.645 1.00 0.40 H new ATOM 0 HG1 THR A 146 17.617 11.554 0.007 1.00 0.52 H new ATOM 0 HG21 THR A 146 15.021 12.133 -0.647 1.00 0.42 H new ATOM 0 HG22 THR A 146 14.240 10.722 0.105 1.00 0.42 H new ATOM 0 HG23 THR A 146 15.545 11.578 0.960 1.00 0.42 H new ATOM 1008 N ALA A 147 17.332 7.530 -1.396 1.00 0.46 N ATOM 1009 CA ALA A 147 17.343 6.303 -2.239 1.00 0.53 C ATOM 1010 C ALA A 147 17.263 5.057 -1.377 1.00 0.74 C ATOM 1011 O ALA A 147 16.659 4.064 -1.729 1.00 1.28 O ATOM 1012 CB ALA A 147 18.659 6.270 -3.021 1.00 1.25 C ATOM 0 H ALA A 147 18.157 8.121 -1.497 1.00 0.46 H new ATOM 0 HA ALA A 147 16.484 6.323 -2.909 1.00 0.53 H new ATOM 0 HB1 ALA A 147 18.688 5.378 -3.646 1.00 1.25 H new ATOM 0 HB2 ALA A 147 18.730 7.157 -3.651 1.00 1.25 H new ATOM 0 HB3 ALA A 147 19.496 6.252 -2.323 1.00 1.25 H new ATOM 1018 N LYS A 148 17.882 5.125 -0.246 1.00 0.73 N ATOM 1019 CA LYS A 148 17.889 3.970 0.697 1.00 1.42 C ATOM 1020 C LYS A 148 16.684 4.071 1.634 1.00 1.99 C ATOM 1021 CB LYS A 148 19.178 3.992 1.519 1.00 1.41 C ATOM 1022 CG LYS A 148 20.361 3.645 0.614 1.00 1.57 C ATOM 1023 CD LYS A 148 21.676 3.909 1.355 1.00 0.54 C ATOM 1024 CE LYS A 148 21.802 2.961 2.551 1.00 1.53 C ATOM 1025 NZ LYS A 148 23.226 2.903 2.986 1.00 2.26 N ATOM 0 H LYS A 148 18.396 5.944 0.079 1.00 0.73 H new ATOM 0 HA LYS A 148 17.834 3.039 0.133 1.00 1.42 H new ATOM 0 HB2 LYS A 148 19.322 4.977 1.964 1.00 1.41 H new ATOM 0 HB3 LYS A 148 19.112 3.278 2.340 1.00 1.41 H new ATOM 0 HG2 LYS A 148 20.306 2.599 0.313 1.00 1.57 H new ATOM 0 HG3 LYS A 148 20.321 4.241 -0.298 1.00 1.57 H new ATOM 0 HD2 LYS A 148 22.519 3.768 0.678 1.00 0.54 H new ATOM 0 HD3 LYS A 148 21.710 4.944 1.695 1.00 0.54 H new ATOM 0 HE2 LYS A 148 21.173 3.307 3.371 1.00 1.53 H new ATOM 0 HE3 LYS A 148 21.452 1.965 2.279 1.00 1.53 H new ATOM 0 HZ1 LYS A 148 23.298 2.356 3.868 1.00 2.26 H new ATOM 0 HZ2 LYS A 148 23.796 2.445 2.247 1.00 2.26 H new ATOM 0 HZ3 LYS A 148 23.579 3.868 3.148 1.00 2.26 H new TER 1039 LYS A 148