USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 498 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 NoAdj : A 97 ASNHD21 : A 97 ASN OD1 : A1000 CACA :(metal ligand) USER MOD NoAdj : A 97 ASNHD22 : A 97 ASN OD1 : A1000 CACA :(metal ligand) USER MOD Single : A 94 LYS NZ :NH3+ 154:sc= -0.0879 (180deg=-0.647) USER MOD Single : A 101 SER OG : rot 94:sc= 0.237 USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 67:sc= 0.774 USER MOD Single : A 111 ASN : amide:sc= -0.28 K(o=-0.28,f=-2.1!) USER MOD Single : A 115 LYS NZ :NH3+ 159:sc= -0.197 (180deg=-0.968) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.155 USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 135 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 137 ASN : amide:sc= -4.87! C(o=-4.9!,f=-7.1!) USER MOD Single : A 143 GLN : amide:sc= -0.557 K(o=-0.56,f=-3.7!) USER MOD Single : A 144 MET CE :methyl 154:sc=-0.00345 (180deg=-0.00365) USER MOD Single : A 145 MET CE :methyl 142:sc= -0.632 (180deg=-1.27) USER MOD Single : A 146 THR OG1 : rot 39:sc= -1.12! USER MOD Single : A 148 LYS NZ :NH3+ 159:sc= -1.64! (180deg=-2.16!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 82 14.981 19.609 -4.769 1.00 0.23 N ATOM 2 CA GLU A 82 13.582 19.773 -4.283 1.00 0.25 C ATOM 3 C GLU A 82 13.591 20.506 -2.943 1.00 0.20 C ATOM 4 O GLU A 82 14.608 20.632 -2.291 1.00 0.19 O ATOM 5 CB GLU A 82 12.933 18.397 -4.111 1.00 0.48 C ATOM 6 CG GLU A 82 13.164 17.561 -5.371 1.00 1.68 C ATOM 7 CD GLU A 82 12.542 16.176 -5.184 1.00 1.54 C ATOM 8 OE1 GLU A 82 12.127 15.879 -4.075 1.00 1.97 O ATOM 9 OE2 GLU A 82 12.492 15.435 -6.151 1.00 1.71 O ATOM 0 HA GLU A 82 13.012 20.352 -5.009 1.00 0.25 H new ATOM 0 HB2 GLU A 82 13.355 17.890 -3.243 1.00 0.48 H new ATOM 0 HB3 GLU A 82 11.864 18.508 -3.927 1.00 0.48 H new ATOM 0 HG2 GLU A 82 12.722 18.056 -6.235 1.00 1.68 H new ATOM 0 HG3 GLU A 82 14.232 17.468 -5.568 1.00 1.68 H new ATOM 15 N GLU A 83 12.455 21.006 -2.543 1.00 0.19 N ATOM 16 CA GLU A 83 12.377 21.754 -1.256 1.00 0.16 C ATOM 17 C GLU A 83 12.515 20.787 -0.076 1.00 0.11 C ATOM 18 O GLU A 83 13.106 21.109 0.931 1.00 0.11 O ATOM 19 CB GLU A 83 11.034 22.499 -1.179 1.00 0.22 C ATOM 20 CG GLU A 83 9.887 21.518 -0.867 1.00 0.78 C ATOM 21 CD GLU A 83 9.777 21.293 0.647 1.00 0.97 C ATOM 22 OE1 GLU A 83 10.604 21.823 1.372 1.00 2.22 O ATOM 23 OE2 GLU A 83 8.864 20.596 1.056 1.00 0.99 O ATOM 0 H GLU A 83 11.575 20.929 -3.053 1.00 0.19 H new ATOM 0 HA GLU A 83 13.192 22.477 -1.208 1.00 0.16 H new ATOM 0 HB2 GLU A 83 11.082 23.268 -0.408 1.00 0.22 H new ATOM 0 HB3 GLU A 83 10.839 23.007 -2.124 1.00 0.22 H new ATOM 0 HG2 GLU A 83 8.947 21.913 -1.252 1.00 0.78 H new ATOM 0 HG3 GLU A 83 10.064 20.568 -1.371 1.00 0.78 H new ATOM 30 N GLU A 84 11.982 19.604 -0.189 1.00 0.09 N ATOM 31 CA GLU A 84 12.100 18.624 0.928 1.00 0.07 C ATOM 32 C GLU A 84 13.575 18.287 1.154 1.00 0.08 C ATOM 33 O GLU A 84 14.085 18.403 2.251 1.00 0.13 O ATOM 34 CB GLU A 84 11.344 17.341 0.546 1.00 0.08 C ATOM 35 CG GLU A 84 9.844 17.522 0.796 1.00 0.30 C ATOM 36 CD GLU A 84 9.577 17.561 2.302 1.00 1.19 C ATOM 37 OE1 GLU A 84 10.456 17.162 3.049 1.00 1.64 O ATOM 38 OE2 GLU A 84 8.500 17.988 2.682 1.00 2.28 O ATOM 0 H GLU A 84 11.469 19.272 -1.006 1.00 0.09 H new ATOM 0 HA GLU A 84 11.679 19.050 1.839 1.00 0.07 H new ATOM 0 HB2 GLU A 84 11.520 17.104 -0.503 1.00 0.08 H new ATOM 0 HB3 GLU A 84 11.719 16.501 1.130 1.00 0.08 H new ATOM 0 HG2 GLU A 84 9.496 18.444 0.331 1.00 0.30 H new ATOM 0 HG3 GLU A 84 9.287 16.704 0.339 1.00 0.30 H new ATOM 45 N ILE A 85 14.265 17.865 0.130 1.00 0.09 N ATOM 46 CA ILE A 85 15.704 17.516 0.305 1.00 0.14 C ATOM 47 C ILE A 85 16.514 18.784 0.597 1.00 0.08 C ATOM 48 O ILE A 85 17.370 18.794 1.459 1.00 0.09 O ATOM 49 CB ILE A 85 16.225 16.835 -0.965 1.00 0.20 C ATOM 50 CG1 ILE A 85 16.284 17.856 -2.112 1.00 0.27 C ATOM 51 CG2 ILE A 85 15.283 15.686 -1.339 1.00 0.21 C ATOM 52 CD1 ILE A 85 16.516 17.137 -3.447 1.00 0.30 C ATOM 0 H ILE A 85 13.898 17.747 -0.814 1.00 0.09 H new ATOM 0 HA ILE A 85 15.811 16.830 1.145 1.00 0.14 H new ATOM 0 HB ILE A 85 17.227 16.443 -0.788 1.00 0.20 H new ATOM 0 HG12 ILE A 85 15.354 18.423 -2.152 1.00 0.27 H new ATOM 0 HG13 ILE A 85 17.086 18.572 -1.931 1.00 0.27 H new ATOM 0 HG21 ILE A 85 15.647 15.196 -2.242 1.00 0.21 H new ATOM 0 HG22 ILE A 85 15.248 14.964 -0.523 1.00 0.21 H new ATOM 0 HG23 ILE A 85 14.282 16.079 -1.518 1.00 0.21 H new ATOM 0 HD11 ILE A 85 16.556 17.870 -4.253 1.00 0.30 H new ATOM 0 HD12 ILE A 85 17.458 16.590 -3.407 1.00 0.30 H new ATOM 0 HD13 ILE A 85 15.699 16.439 -3.631 1.00 0.30 H new ATOM 64 N ARG A 86 16.259 19.851 -0.111 1.00 0.06 N ATOM 65 CA ARG A 86 17.026 21.106 0.136 1.00 0.09 C ATOM 66 C ARG A 86 16.716 21.633 1.536 1.00 0.11 C ATOM 67 O ARG A 86 17.609 21.994 2.277 1.00 0.17 O ATOM 68 CB ARG A 86 16.640 22.159 -0.903 1.00 0.14 C ATOM 69 CG ARG A 86 17.504 23.406 -0.703 1.00 0.60 C ATOM 70 CD ARG A 86 17.230 24.406 -1.827 1.00 0.60 C ATOM 71 NE ARG A 86 18.221 25.515 -1.754 1.00 0.90 N ATOM 72 CZ ARG A 86 18.379 26.317 -2.771 1.00 1.64 C ATOM 73 NH1 ARG A 86 17.668 26.147 -3.852 1.00 2.72 N ATOM 74 NH2 ARG A 86 19.248 27.288 -2.708 1.00 1.61 N ATOM 0 H ARG A 86 15.555 19.908 -0.847 1.00 0.06 H new ATOM 0 HA ARG A 86 18.092 20.895 0.058 1.00 0.09 H new ATOM 0 HB2 ARG A 86 16.780 21.763 -1.909 1.00 0.14 H new ATOM 0 HB3 ARG A 86 15.585 22.414 -0.805 1.00 0.14 H new ATOM 0 HG2 ARG A 86 17.286 23.861 0.263 1.00 0.60 H new ATOM 0 HG3 ARG A 86 18.559 23.132 -0.695 1.00 0.60 H new ATOM 0 HD2 ARG A 86 17.295 23.909 -2.795 1.00 0.60 H new ATOM 0 HD3 ARG A 86 16.218 24.801 -1.739 1.00 0.60 H new ATOM 0 HE ARG A 86 18.776 25.648 -0.909 1.00 0.90 H new ATOM 0 HH11 ARG A 86 16.989 25.387 -3.902 1.00 2.72 H new ATOM 0 HH12 ARG A 86 17.791 26.774 -4.647 1.00 2.72 H new ATOM 0 HH21 ARG A 86 19.804 27.421 -1.863 1.00 1.61 H new ATOM 0 HH22 ARG A 86 19.371 27.915 -3.503 1.00 1.61 H new ATOM 88 N GLU A 87 15.469 21.681 1.917 1.00 0.09 N ATOM 89 CA GLU A 87 15.140 22.187 3.278 1.00 0.12 C ATOM 90 C GLU A 87 15.887 21.337 4.301 1.00 0.10 C ATOM 91 O GLU A 87 16.505 21.846 5.214 1.00 0.10 O ATOM 92 CB GLU A 87 13.632 22.089 3.521 1.00 0.14 C ATOM 93 CG GLU A 87 13.286 22.720 4.873 1.00 0.39 C ATOM 94 CD GLU A 87 11.791 22.551 5.147 1.00 1.85 C ATOM 95 OE1 GLU A 87 11.120 21.958 4.319 1.00 3.05 O ATOM 96 OE2 GLU A 87 11.343 23.016 6.182 1.00 2.39 O ATOM 0 H GLU A 87 14.671 21.394 1.350 1.00 0.09 H new ATOM 0 HA GLU A 87 15.438 23.231 3.370 1.00 0.12 H new ATOM 0 HB2 GLU A 87 13.091 22.597 2.722 1.00 0.14 H new ATOM 0 HB3 GLU A 87 13.318 21.045 3.505 1.00 0.14 H new ATOM 0 HG2 GLU A 87 13.867 22.249 5.666 1.00 0.39 H new ATOM 0 HG3 GLU A 87 13.549 23.778 4.871 1.00 0.39 H new ATOM 103 N ALA A 88 15.859 20.043 4.141 1.00 0.07 N ATOM 104 CA ALA A 88 16.594 19.171 5.093 1.00 0.06 C ATOM 105 C ALA A 88 18.071 19.547 5.033 1.00 0.04 C ATOM 106 O ALA A 88 18.741 19.630 6.043 1.00 0.06 O ATOM 107 CB ALA A 88 16.412 17.704 4.697 1.00 0.05 C ATOM 0 H ALA A 88 15.361 19.556 3.396 1.00 0.07 H new ATOM 0 HA ALA A 88 16.212 19.306 6.105 1.00 0.06 H new ATOM 0 HB1 ALA A 88 16.953 17.068 5.398 1.00 0.05 H new ATOM 0 HB2 ALA A 88 15.352 17.450 4.720 1.00 0.05 H new ATOM 0 HB3 ALA A 88 16.801 17.548 3.691 1.00 0.05 H new ATOM 113 N PHE A 89 18.588 19.787 3.859 1.00 0.05 N ATOM 114 CA PHE A 89 20.020 20.172 3.743 1.00 0.06 C ATOM 115 C PHE A 89 20.249 21.492 4.476 1.00 0.07 C ATOM 116 O PHE A 89 21.246 21.668 5.147 1.00 0.08 O ATOM 117 CB PHE A 89 20.385 20.331 2.268 1.00 0.07 C ATOM 118 CG PHE A 89 21.882 20.481 2.136 1.00 0.07 C ATOM 119 CD1 PHE A 89 22.714 19.379 2.365 1.00 0.06 C ATOM 120 CD2 PHE A 89 22.438 21.717 1.782 1.00 0.09 C ATOM 121 CE1 PHE A 89 24.101 19.512 2.242 1.00 0.09 C ATOM 122 CE2 PHE A 89 23.826 21.849 1.657 1.00 0.11 C ATOM 123 CZ PHE A 89 24.657 20.746 1.887 1.00 0.11 C ATOM 0 H PHE A 89 18.080 19.733 2.976 1.00 0.05 H new ATOM 0 HA PHE A 89 20.646 19.398 4.187 1.00 0.06 H new ATOM 0 HB2 PHE A 89 20.044 19.464 1.702 1.00 0.07 H new ATOM 0 HB3 PHE A 89 19.883 21.203 1.849 1.00 0.07 H new ATOM 0 HD1 PHE A 89 22.285 18.426 2.637 1.00 0.06 H new ATOM 0 HD2 PHE A 89 21.796 22.568 1.606 1.00 0.09 H new ATOM 0 HE1 PHE A 89 24.743 18.662 2.421 1.00 0.09 H new ATOM 0 HE2 PHE A 89 24.256 22.801 1.383 1.00 0.11 H new ATOM 0 HZ PHE A 89 25.728 20.848 1.790 1.00 0.11 H new ATOM 133 N ARG A 90 19.337 22.421 4.372 1.00 0.07 N ATOM 134 CA ARG A 90 19.517 23.718 5.084 1.00 0.07 C ATOM 135 C ARG A 90 19.327 23.487 6.585 1.00 0.06 C ATOM 136 O ARG A 90 19.968 24.114 7.405 1.00 0.07 O ATOM 137 CB ARG A 90 18.483 24.731 4.578 1.00 0.06 C ATOM 138 CG ARG A 90 18.780 26.128 5.155 1.00 0.35 C ATOM 139 CD ARG A 90 19.914 26.820 4.360 1.00 0.34 C ATOM 140 NE ARG A 90 20.916 27.414 5.305 1.00 1.93 N ATOM 141 CZ ARG A 90 20.540 28.125 6.337 1.00 3.33 C ATOM 142 NH1 ARG A 90 19.281 28.414 6.517 1.00 4.69 N ATOM 143 NH2 ARG A 90 21.433 28.569 7.179 1.00 3.73 N ATOM 0 H ARG A 90 18.479 22.338 3.827 1.00 0.07 H new ATOM 0 HA ARG A 90 20.517 24.110 4.896 1.00 0.07 H new ATOM 0 HB2 ARG A 90 18.502 24.768 3.489 1.00 0.06 H new ATOM 0 HB3 ARG A 90 17.481 24.415 4.869 1.00 0.06 H new ATOM 0 HG2 ARG A 90 17.879 26.740 5.120 1.00 0.35 H new ATOM 0 HG3 ARG A 90 19.065 26.041 6.203 1.00 0.35 H new ATOM 0 HD2 ARG A 90 20.403 26.098 3.705 1.00 0.34 H new ATOM 0 HD3 ARG A 90 19.498 27.599 3.721 1.00 0.34 H new ATOM 0 HE ARG A 90 21.911 27.261 5.140 1.00 1.93 H new ATOM 0 HH11 ARG A 90 18.582 28.085 5.851 1.00 4.69 H new ATOM 0 HH12 ARG A 90 18.995 28.969 7.324 1.00 4.69 H new ATOM 0 HH21 ARG A 90 22.421 28.361 7.031 1.00 3.73 H new ATOM 0 HH22 ARG A 90 21.143 29.124 7.985 1.00 3.73 H new ATOM 157 N VAL A 91 18.449 22.594 6.952 1.00 0.06 N ATOM 158 CA VAL A 91 18.219 22.330 8.399 1.00 0.06 C ATOM 159 C VAL A 91 19.485 21.734 9.015 1.00 0.09 C ATOM 160 O VAL A 91 19.847 22.045 10.133 1.00 0.11 O ATOM 161 CB VAL A 91 17.043 21.356 8.558 1.00 0.04 C ATOM 162 CG1 VAL A 91 16.978 20.837 9.998 1.00 0.06 C ATOM 163 CG2 VAL A 91 15.737 22.085 8.226 1.00 0.02 C ATOM 0 H VAL A 91 17.882 22.037 6.313 1.00 0.06 H new ATOM 0 HA VAL A 91 17.981 23.262 8.911 1.00 0.06 H new ATOM 0 HB VAL A 91 17.184 20.513 7.881 1.00 0.04 H new ATOM 0 HG11 VAL A 91 16.140 20.147 10.099 1.00 0.06 H new ATOM 0 HG12 VAL A 91 17.906 20.319 10.240 1.00 0.06 H new ATOM 0 HG13 VAL A 91 16.842 21.675 10.681 1.00 0.06 H new ATOM 0 HG21 VAL A 91 14.898 21.398 8.337 1.00 0.02 H new ATOM 0 HG22 VAL A 91 15.608 22.928 8.905 1.00 0.02 H new ATOM 0 HG23 VAL A 91 15.774 22.449 7.199 1.00 0.02 H new ATOM 173 N PHE A 92 20.167 20.885 8.298 1.00 0.10 N ATOM 174 CA PHE A 92 21.411 20.281 8.848 1.00 0.13 C ATOM 175 C PHE A 92 22.553 21.296 8.745 1.00 0.17 C ATOM 176 O PHE A 92 23.471 21.292 9.541 1.00 0.19 O ATOM 177 CB PHE A 92 21.765 19.023 8.045 1.00 0.12 C ATOM 178 CG PHE A 92 20.544 18.131 7.871 1.00 0.11 C ATOM 179 CD1 PHE A 92 19.678 17.864 8.949 1.00 0.07 C ATOM 180 CD2 PHE A 92 20.277 17.567 6.617 1.00 0.17 C ATOM 181 CE1 PHE A 92 18.561 17.042 8.764 1.00 0.13 C ATOM 182 CE2 PHE A 92 19.157 16.747 6.437 1.00 0.21 C ATOM 183 CZ PHE A 92 18.299 16.485 7.510 1.00 0.19 C ATOM 0 H PHE A 92 19.917 20.584 7.356 1.00 0.10 H new ATOM 0 HA PHE A 92 21.258 20.011 9.893 1.00 0.13 H new ATOM 0 HB2 PHE A 92 22.155 19.308 7.068 1.00 0.12 H new ATOM 0 HB3 PHE A 92 22.555 18.471 8.555 1.00 0.12 H new ATOM 0 HD1 PHE A 92 19.876 18.294 9.920 1.00 0.07 H new ATOM 0 HD2 PHE A 92 20.938 17.766 5.786 1.00 0.17 H new ATOM 0 HE1 PHE A 92 17.900 16.838 9.593 1.00 0.13 H new ATOM 0 HE2 PHE A 92 18.955 16.316 5.468 1.00 0.21 H new ATOM 0 HZ PHE A 92 17.435 15.853 7.369 1.00 0.19 H new ATOM 193 N ASP A 93 22.496 22.182 7.786 1.00 0.20 N ATOM 194 CA ASP A 93 23.571 23.207 7.661 1.00 0.24 C ATOM 195 C ASP A 93 23.312 24.306 8.686 1.00 0.45 C ATOM 196 O ASP A 93 22.845 25.382 8.371 1.00 0.55 O ATOM 197 CB ASP A 93 23.564 23.802 6.255 1.00 0.27 C ATOM 198 CG ASP A 93 24.771 24.724 6.100 1.00 0.32 C ATOM 199 OD1 ASP A 93 25.598 24.737 6.998 1.00 1.46 O ATOM 200 OD2 ASP A 93 24.848 25.402 5.090 1.00 1.03 O ATOM 0 H ASP A 93 21.755 22.240 7.087 1.00 0.20 H new ATOM 0 HA ASP A 93 24.543 22.748 7.840 1.00 0.24 H new ATOM 0 HB2 ASP A 93 23.599 23.007 5.510 1.00 0.27 H new ATOM 0 HB3 ASP A 93 22.642 24.357 6.086 1.00 0.27 H new ATOM 205 N LYS A 94 23.603 24.016 9.921 1.00 0.56 N ATOM 206 CA LYS A 94 23.376 25.000 11.016 1.00 0.76 C ATOM 207 C LYS A 94 24.078 26.334 10.726 1.00 0.71 C ATOM 208 O LYS A 94 23.564 27.390 11.037 1.00 0.85 O ATOM 209 CB LYS A 94 23.929 24.420 12.320 1.00 0.95 C ATOM 210 CG LYS A 94 23.500 25.301 13.495 1.00 1.08 C ATOM 211 CD LYS A 94 24.085 24.739 14.792 1.00 1.67 C ATOM 212 CE LYS A 94 23.398 25.398 15.989 1.00 2.57 C ATOM 213 NZ LYS A 94 21.980 24.945 16.059 1.00 3.98 N ATOM 0 H LYS A 94 23.995 23.124 10.224 1.00 0.56 H new ATOM 0 HA LYS A 94 22.305 25.188 11.095 1.00 0.76 H new ATOM 0 HB2 LYS A 94 23.563 23.403 12.462 1.00 0.95 H new ATOM 0 HB3 LYS A 94 25.016 24.363 12.273 1.00 0.95 H new ATOM 0 HG2 LYS A 94 23.844 26.324 13.341 1.00 1.08 H new ATOM 0 HG3 LYS A 94 22.412 25.337 13.559 1.00 1.08 H new ATOM 0 HD2 LYS A 94 23.945 23.659 14.828 1.00 1.67 H new ATOM 0 HD3 LYS A 94 25.159 24.923 14.829 1.00 1.67 H new ATOM 0 HE2 LYS A 94 23.920 25.138 16.910 1.00 2.57 H new ATOM 0 HE3 LYS A 94 23.440 26.483 15.894 1.00 2.57 H new ATOM 0 HZ1 LYS A 94 21.644 25.007 17.041 1.00 3.98 H new ATOM 0 HZ2 LYS A 94 21.392 25.551 15.453 1.00 3.98 H new ATOM 0 HZ3 LYS A 94 21.914 23.960 15.732 1.00 3.98 H new ATOM 227 N ASP A 95 25.260 26.303 10.158 1.00 0.59 N ATOM 228 CA ASP A 95 25.994 27.582 9.885 1.00 0.54 C ATOM 229 C ASP A 95 25.641 28.129 8.493 1.00 0.19 C ATOM 230 O ASP A 95 26.077 29.196 8.110 1.00 0.21 O ATOM 231 CB ASP A 95 27.499 27.329 9.971 1.00 0.81 C ATOM 232 CG ASP A 95 27.881 26.219 8.990 1.00 1.98 C ATOM 233 OD1 ASP A 95 27.252 26.136 7.949 1.00 2.32 O ATOM 234 OD2 ASP A 95 28.793 25.469 9.297 1.00 3.10 O ATOM 0 H ASP A 95 25.747 25.453 9.873 1.00 0.59 H new ATOM 0 HA ASP A 95 25.698 28.321 10.630 1.00 0.54 H new ATOM 0 HB2 ASP A 95 28.047 28.242 9.737 1.00 0.81 H new ATOM 0 HB3 ASP A 95 27.774 27.044 10.986 1.00 0.81 H new ATOM 239 N GLY A 96 24.843 27.422 7.743 1.00 0.07 N ATOM 240 CA GLY A 96 24.451 27.922 6.392 1.00 0.43 C ATOM 241 C GLY A 96 25.664 27.985 5.455 1.00 0.33 C ATOM 242 O GLY A 96 25.686 28.742 4.506 1.00 0.46 O ATOM 0 H GLY A 96 24.445 26.520 8.005 1.00 0.07 H new ATOM 0 HA2 GLY A 96 23.691 27.268 5.965 1.00 0.43 H new ATOM 0 HA3 GLY A 96 24.005 28.913 6.482 1.00 0.43 H new ATOM 246 N ASN A 97 26.678 27.207 5.720 1.00 0.12 N ATOM 247 CA ASN A 97 27.894 27.236 4.851 1.00 0.10 C ATOM 248 C ASN A 97 27.658 26.423 3.577 1.00 0.15 C ATOM 249 O ASN A 97 28.529 26.325 2.735 1.00 0.38 O ATOM 250 CB ASN A 97 29.082 26.649 5.617 1.00 0.17 C ATOM 251 CG ASN A 97 28.760 25.213 6.022 1.00 0.30 C ATOM 252 OD1 ASN A 97 29.558 24.550 6.655 1.00 1.31 O ATOM 253 ND2 ASN A 97 27.610 24.703 5.686 1.00 0.76 N ATOM 0 H ASN A 97 26.719 26.552 6.500 1.00 0.12 H new ATOM 0 HA ASN A 97 28.106 28.269 4.576 1.00 0.10 H new ATOM 0 HB2 ASN A 97 29.977 26.672 4.996 1.00 0.17 H new ATOM 0 HB3 ASN A 97 29.292 27.250 6.502 1.00 0.17 H new ATOM 0 HD21 ASN A 97 27.378 23.746 5.954 1.00 0.76 H new ATOM 0 HD22 ASN A 97 26.941 25.260 5.155 1.00 0.76 H new ATOM 260 N GLY A 98 26.496 25.860 3.399 1.00 0.08 N ATOM 261 CA GLY A 98 26.228 25.088 2.152 1.00 0.11 C ATOM 262 C GLY A 98 26.863 23.699 2.223 1.00 0.11 C ATOM 263 O GLY A 98 26.753 22.912 1.303 1.00 0.23 O ATOM 0 H GLY A 98 25.721 25.900 4.061 1.00 0.08 H new ATOM 0 HA2 GLY A 98 25.152 24.993 2.002 1.00 0.11 H new ATOM 0 HA3 GLY A 98 26.623 25.629 1.292 1.00 0.11 H new ATOM 267 N TYR A 99 27.534 23.394 3.306 1.00 0.14 N ATOM 268 CA TYR A 99 28.189 22.055 3.446 1.00 0.18 C ATOM 269 C TYR A 99 27.916 21.483 4.841 1.00 0.19 C ATOM 270 O TYR A 99 27.920 22.196 5.827 1.00 0.18 O ATOM 271 CB TYR A 99 29.699 22.206 3.247 1.00 0.15 C ATOM 272 CG TYR A 99 29.962 23.082 2.044 1.00 0.15 C ATOM 273 CD1 TYR A 99 29.760 22.575 0.755 1.00 0.78 C ATOM 274 CD2 TYR A 99 30.406 24.399 2.217 1.00 0.81 C ATOM 275 CE1 TYR A 99 30.002 23.384 -0.362 1.00 0.80 C ATOM 276 CE2 TYR A 99 30.648 25.208 1.100 1.00 0.80 C ATOM 277 CZ TYR A 99 30.446 24.701 -0.189 1.00 0.18 C ATOM 0 H TYR A 99 27.657 24.018 4.104 1.00 0.14 H new ATOM 0 HA TYR A 99 27.783 21.377 2.695 1.00 0.18 H new ATOM 0 HB2 TYR A 99 30.152 22.645 4.136 1.00 0.15 H new ATOM 0 HB3 TYR A 99 30.158 21.227 3.105 1.00 0.15 H new ATOM 0 HD1 TYR A 99 29.417 21.559 0.622 1.00 0.78 H new ATOM 0 HD2 TYR A 99 30.562 24.790 3.211 1.00 0.81 H new ATOM 0 HE1 TYR A 99 29.846 22.993 -1.356 1.00 0.80 H new ATOM 0 HE2 TYR A 99 30.991 26.224 1.233 1.00 0.80 H new ATOM 286 N ILE A 100 27.681 20.198 4.929 1.00 0.20 N ATOM 287 CA ILE A 100 27.408 19.569 6.259 1.00 0.21 C ATOM 288 C ILE A 100 28.676 18.878 6.763 1.00 0.19 C ATOM 289 O ILE A 100 29.278 18.077 6.076 1.00 0.18 O ATOM 290 CB ILE A 100 26.287 18.537 6.117 1.00 0.23 C ATOM 291 CG1 ILE A 100 25.050 19.211 5.518 1.00 0.26 C ATOM 292 CG2 ILE A 100 25.940 17.968 7.494 1.00 0.17 C ATOM 293 CD1 ILE A 100 23.985 18.154 5.216 1.00 0.31 C ATOM 0 H ILE A 100 27.666 19.556 4.137 1.00 0.20 H new ATOM 0 HA ILE A 100 27.104 20.338 6.969 1.00 0.21 H new ATOM 0 HB ILE A 100 26.616 17.729 5.463 1.00 0.23 H new ATOM 0 HG12 ILE A 100 24.655 19.952 6.213 1.00 0.26 H new ATOM 0 HG13 ILE A 100 25.319 19.742 4.605 1.00 0.26 H new ATOM 0 HG21 ILE A 100 25.142 17.233 7.393 1.00 0.17 H new ATOM 0 HG22 ILE A 100 26.821 17.490 7.923 1.00 0.17 H new ATOM 0 HG23 ILE A 100 25.610 18.775 8.148 1.00 0.17 H new ATOM 0 HD11 ILE A 100 23.105 18.636 4.790 1.00 0.31 H new ATOM 0 HD12 ILE A 100 24.383 17.430 4.505 1.00 0.31 H new ATOM 0 HD13 ILE A 100 23.708 17.643 6.138 1.00 0.31 H new ATOM 305 N SER A 101 29.083 19.189 7.965 1.00 0.21 N ATOM 306 CA SER A 101 30.313 18.560 8.528 1.00 0.19 C ATOM 307 C SER A 101 29.941 17.245 9.211 1.00 0.15 C ATOM 308 O SER A 101 28.799 17.011 9.552 1.00 0.14 O ATOM 309 CB SER A 101 30.952 19.503 9.550 1.00 0.20 C ATOM 310 OG SER A 101 30.351 19.292 10.820 1.00 0.17 O ATOM 0 H SER A 101 28.616 19.853 8.582 1.00 0.21 H new ATOM 0 HA SER A 101 31.023 18.367 7.723 1.00 0.19 H new ATOM 0 HB2 SER A 101 32.025 19.322 9.608 1.00 0.20 H new ATOM 0 HB3 SER A 101 30.819 20.539 9.239 1.00 0.20 H new ATOM 0 HG SER A 101 30.884 18.648 11.331 1.00 0.17 H new ATOM 316 N ALA A 102 30.895 16.380 9.402 1.00 0.11 N ATOM 317 CA ALA A 102 30.590 15.076 10.050 1.00 0.07 C ATOM 318 C ALA A 102 30.025 15.317 11.452 1.00 0.04 C ATOM 319 O ALA A 102 29.038 14.724 11.847 1.00 0.03 O ATOM 320 CB ALA A 102 31.868 14.237 10.144 1.00 0.04 C ATOM 0 H ALA A 102 31.871 16.519 9.138 1.00 0.11 H new ATOM 0 HA ALA A 102 29.852 14.540 9.453 1.00 0.07 H new ATOM 0 HB1 ALA A 102 31.642 13.282 10.619 1.00 0.04 H new ATOM 0 HB2 ALA A 102 32.262 14.060 9.143 1.00 0.04 H new ATOM 0 HB3 ALA A 102 32.611 14.771 10.737 1.00 0.04 H new ATOM 326 N ALA A 103 30.632 16.193 12.204 1.00 0.06 N ATOM 327 CA ALA A 103 30.117 16.477 13.571 1.00 0.06 C ATOM 328 C ALA A 103 28.714 17.073 13.459 1.00 0.04 C ATOM 329 O ALA A 103 27.853 16.824 14.284 1.00 0.07 O ATOM 330 CB ALA A 103 31.044 17.470 14.275 1.00 0.12 C ATOM 0 H ALA A 103 31.460 16.723 11.931 1.00 0.06 H new ATOM 0 HA ALA A 103 30.080 15.554 14.150 1.00 0.06 H new ATOM 0 HB1 ALA A 103 30.664 17.676 15.276 1.00 0.12 H new ATOM 0 HB2 ALA A 103 32.045 17.045 14.347 1.00 0.12 H new ATOM 0 HB3 ALA A 103 31.084 18.398 13.704 1.00 0.12 H new ATOM 336 N GLU A 104 28.456 17.823 12.422 1.00 0.04 N ATOM 337 CA GLU A 104 27.091 18.384 12.252 1.00 0.05 C ATOM 338 C GLU A 104 26.144 17.211 11.998 1.00 0.05 C ATOM 339 O GLU A 104 25.018 17.191 12.456 1.00 0.17 O ATOM 340 CB GLU A 104 27.065 19.352 11.065 1.00 0.08 C ATOM 341 CG GLU A 104 27.645 20.702 11.496 1.00 0.66 C ATOM 342 CD GLU A 104 27.632 21.667 10.311 1.00 0.61 C ATOM 343 OE1 GLU A 104 27.381 21.214 9.206 1.00 0.43 O ATOM 344 OE2 GLU A 104 27.874 22.842 10.529 1.00 0.81 O ATOM 0 H GLU A 104 29.126 18.068 11.693 1.00 0.04 H new ATOM 0 HA GLU A 104 26.787 18.936 13.141 1.00 0.05 H new ATOM 0 HB2 GLU A 104 27.643 18.944 10.236 1.00 0.08 H new ATOM 0 HB3 GLU A 104 26.043 19.480 10.709 1.00 0.08 H new ATOM 0 HG2 GLU A 104 27.062 21.114 12.320 1.00 0.66 H new ATOM 0 HG3 GLU A 104 28.664 20.572 11.861 1.00 0.66 H new ATOM 351 N LEU A 105 26.611 16.218 11.286 1.00 0.07 N ATOM 352 CA LEU A 105 25.753 15.034 11.024 1.00 0.04 C ATOM 353 C LEU A 105 25.455 14.371 12.371 1.00 0.05 C ATOM 354 O LEU A 105 24.395 13.828 12.600 1.00 0.04 O ATOM 355 CB LEU A 105 26.492 14.042 10.102 1.00 0.02 C ATOM 356 CG LEU A 105 25.470 13.143 9.366 1.00 0.03 C ATOM 357 CD1 LEU A 105 24.961 13.845 8.098 1.00 0.13 C ATOM 358 CD2 LEU A 105 26.132 11.817 8.971 1.00 0.16 C ATOM 0 H LEU A 105 27.545 16.179 10.878 1.00 0.07 H new ATOM 0 HA LEU A 105 24.828 15.334 10.532 1.00 0.04 H new ATOM 0 HB2 LEU A 105 27.097 14.587 9.378 1.00 0.02 H new ATOM 0 HB3 LEU A 105 27.174 13.427 10.688 1.00 0.02 H new ATOM 0 HG LEU A 105 24.631 12.952 10.036 1.00 0.03 H new ATOM 0 HD11 LEU A 105 24.243 13.202 7.590 1.00 0.13 H new ATOM 0 HD12 LEU A 105 24.478 14.784 8.371 1.00 0.13 H new ATOM 0 HD13 LEU A 105 25.800 14.048 7.433 1.00 0.13 H new ATOM 0 HD21 LEU A 105 25.407 11.189 8.453 1.00 0.16 H new ATOM 0 HD22 LEU A 105 26.977 12.015 8.312 1.00 0.16 H new ATOM 0 HD23 LEU A 105 26.482 11.304 9.867 1.00 0.16 H new ATOM 370 N ARG A 106 26.406 14.417 13.263 1.00 0.09 N ATOM 371 CA ARG A 106 26.208 13.805 14.604 1.00 0.13 C ATOM 372 C ARG A 106 25.147 14.601 15.372 1.00 0.12 C ATOM 373 O ARG A 106 24.363 14.052 16.119 1.00 0.11 O ATOM 374 CB ARG A 106 27.528 13.849 15.376 1.00 0.23 C ATOM 375 CG ARG A 106 27.385 13.058 16.676 1.00 1.61 C ATOM 376 CD ARG A 106 28.687 13.150 17.473 1.00 1.56 C ATOM 377 NE ARG A 106 28.633 12.205 18.623 1.00 2.66 N ATOM 378 CZ ARG A 106 29.727 11.891 19.261 1.00 2.57 C ATOM 379 NH1 ARG A 106 30.867 12.409 18.894 1.00 3.52 N ATOM 380 NH2 ARG A 106 29.680 11.061 20.267 1.00 2.04 N ATOM 0 H ARG A 106 27.316 14.855 13.118 1.00 0.09 H new ATOM 0 HA ARG A 106 25.881 12.771 14.492 1.00 0.13 H new ATOM 0 HB2 ARG A 106 28.331 13.430 14.769 1.00 0.23 H new ATOM 0 HB3 ARG A 106 27.800 14.882 15.594 1.00 0.23 H new ATOM 0 HG2 ARG A 106 26.557 13.452 17.265 1.00 1.61 H new ATOM 0 HG3 ARG A 106 27.153 12.016 16.457 1.00 1.61 H new ATOM 0 HD2 ARG A 106 29.536 12.912 16.832 1.00 1.56 H new ATOM 0 HD3 ARG A 106 28.835 14.168 17.832 1.00 1.56 H new ATOM 0 HE ARG A 106 27.741 11.803 18.912 1.00 2.66 H new ATOM 0 HH11 ARG A 106 30.903 13.059 18.109 1.00 3.52 H new ATOM 0 HH12 ARG A 106 31.723 12.164 19.392 1.00 3.52 H new ATOM 0 HH21 ARG A 106 28.788 10.658 20.554 1.00 2.04 H new ATOM 0 HH22 ARG A 106 30.535 10.815 20.766 1.00 2.04 H new ATOM 394 N HIS A 107 25.114 15.893 15.182 1.00 0.12 N ATOM 395 CA HIS A 107 24.101 16.732 15.890 1.00 0.15 C ATOM 396 C HIS A 107 22.702 16.404 15.363 1.00 0.12 C ATOM 397 O HIS A 107 21.797 16.121 16.123 1.00 0.16 O ATOM 398 CB HIS A 107 24.405 18.210 15.636 1.00 0.18 C ATOM 399 CG HIS A 107 23.334 19.060 16.263 1.00 0.23 C ATOM 400 ND1 HIS A 107 23.166 19.144 17.636 1.00 0.49 N ATOM 401 CD2 HIS A 107 22.368 19.868 15.716 1.00 0.28 C ATOM 402 CE1 HIS A 107 22.134 19.976 17.867 1.00 0.45 C ATOM 403 NE2 HIS A 107 21.611 20.445 16.731 1.00 0.26 N ATOM 0 H HIS A 107 25.745 16.405 14.566 1.00 0.12 H new ATOM 0 HA HIS A 107 24.141 16.526 16.960 1.00 0.15 H new ATOM 0 HB2 HIS A 107 25.379 18.468 16.052 1.00 0.18 H new ATOM 0 HB3 HIS A 107 24.455 18.402 14.564 1.00 0.18 H new ATOM 0 HD2 HIS A 107 22.218 20.031 14.659 1.00 0.28 H new ATOM 0 HE1 HIS A 107 21.772 20.233 18.852 1.00 0.45 H new ATOM 0 HE2 HIS A 107 20.826 21.088 16.629 1.00 0.26 H new ATOM 411 N VAL A 108 22.504 16.460 14.076 1.00 0.08 N ATOM 412 CA VAL A 108 21.149 16.173 13.521 1.00 0.09 C ATOM 413 C VAL A 108 20.798 14.701 13.753 1.00 0.09 C ATOM 414 O VAL A 108 19.704 14.373 14.167 1.00 0.10 O ATOM 415 CB VAL A 108 21.113 16.500 12.019 1.00 0.09 C ATOM 416 CG1 VAL A 108 21.693 17.904 11.769 1.00 0.10 C ATOM 417 CG2 VAL A 108 21.922 15.463 11.242 1.00 0.09 C ATOM 0 H VAL A 108 23.218 16.691 13.385 1.00 0.08 H new ATOM 0 HA VAL A 108 20.414 16.797 14.029 1.00 0.09 H new ATOM 0 HB VAL A 108 20.078 16.477 11.678 1.00 0.09 H new ATOM 0 HG11 VAL A 108 21.663 18.125 10.702 1.00 0.10 H new ATOM 0 HG12 VAL A 108 21.102 18.643 12.310 1.00 0.10 H new ATOM 0 HG13 VAL A 108 22.725 17.939 12.118 1.00 0.10 H new ATOM 0 HG21 VAL A 108 21.892 15.701 10.179 1.00 0.09 H new ATOM 0 HG22 VAL A 108 22.956 15.474 11.588 1.00 0.09 H new ATOM 0 HG23 VAL A 108 21.496 14.473 11.405 1.00 0.09 H new ATOM 427 N MET A 109 21.712 13.809 13.480 1.00 0.09 N ATOM 428 CA MET A 109 21.413 12.360 13.670 1.00 0.10 C ATOM 429 C MET A 109 21.191 12.056 15.148 1.00 0.09 C ATOM 430 O MET A 109 20.329 11.279 15.505 1.00 0.10 O ATOM 431 CB MET A 109 22.584 11.512 13.160 1.00 0.10 C ATOM 432 CG MET A 109 22.646 11.569 11.631 1.00 0.10 C ATOM 433 SD MET A 109 21.216 10.708 10.930 1.00 0.12 S ATOM 434 CE MET A 109 21.073 11.698 9.422 1.00 0.08 C ATOM 0 H MET A 109 22.649 14.019 13.135 1.00 0.09 H new ATOM 0 HA MET A 109 20.510 12.119 13.109 1.00 0.10 H new ATOM 0 HB2 MET A 109 23.520 11.877 13.584 1.00 0.10 H new ATOM 0 HB3 MET A 109 22.466 10.480 13.489 1.00 0.10 H new ATOM 0 HG2 MET A 109 22.658 12.606 11.296 1.00 0.10 H new ATOM 0 HG3 MET A 109 23.569 11.109 11.277 1.00 0.10 H new ATOM 0 HE1 MET A 109 20.236 11.334 8.826 1.00 0.08 H new ATOM 0 HE2 MET A 109 20.903 12.742 9.687 1.00 0.08 H new ATOM 0 HE3 MET A 109 21.994 11.616 8.844 1.00 0.08 H new ATOM 444 N THR A 110 21.962 12.654 16.011 1.00 0.08 N ATOM 445 CA THR A 110 21.799 12.384 17.466 1.00 0.10 C ATOM 446 C THR A 110 20.444 12.893 17.957 1.00 0.15 C ATOM 447 O THR A 110 19.763 12.225 18.709 1.00 0.16 O ATOM 448 CB THR A 110 22.920 13.083 18.241 1.00 0.15 C ATOM 449 OG1 THR A 110 24.168 12.507 17.884 1.00 0.15 O ATOM 450 CG2 THR A 110 22.691 12.912 19.744 1.00 0.18 C ATOM 0 H THR A 110 22.698 13.318 15.772 1.00 0.08 H new ATOM 0 HA THR A 110 21.849 11.308 17.632 1.00 0.10 H new ATOM 0 HB THR A 110 22.923 14.145 17.996 1.00 0.15 H new ATOM 0 HG1 THR A 110 24.367 12.712 16.947 1.00 0.15 H new ATOM 0 HG21 THR A 110 23.490 13.410 20.293 1.00 0.18 H new ATOM 0 HG22 THR A 110 21.733 13.353 20.018 1.00 0.18 H new ATOM 0 HG23 THR A 110 22.687 11.851 19.993 1.00 0.18 H new ATOM 458 N ASN A 111 20.039 14.066 17.551 1.00 0.21 N ATOM 459 CA ASN A 111 18.721 14.587 18.023 1.00 0.29 C ATOM 460 C ASN A 111 17.579 13.953 17.216 1.00 0.30 C ATOM 461 O ASN A 111 16.483 13.782 17.710 1.00 0.35 O ATOM 462 CB ASN A 111 18.682 16.110 17.876 1.00 0.35 C ATOM 463 CG ASN A 111 17.457 16.663 18.606 1.00 0.46 C ATOM 464 OD1 ASN A 111 16.731 15.926 19.244 1.00 1.12 O ATOM 465 ND2 ASN A 111 17.195 17.939 18.539 1.00 0.78 N ATOM 0 H ASN A 111 20.555 14.680 16.921 1.00 0.21 H new ATOM 0 HA ASN A 111 18.594 14.326 19.074 1.00 0.29 H new ATOM 0 HB2 ASN A 111 19.592 16.549 18.286 1.00 0.35 H new ATOM 0 HB3 ASN A 111 18.644 16.383 16.821 1.00 0.35 H new ATOM 0 HD21 ASN A 111 16.381 18.318 19.022 1.00 0.78 H new ATOM 0 HD22 ASN A 111 17.804 18.557 18.004 1.00 0.78 H new ATOM 472 N LEU A 112 17.825 13.592 15.982 1.00 0.28 N ATOM 473 CA LEU A 112 16.752 12.959 15.156 1.00 0.32 C ATOM 474 C LEU A 112 16.332 11.624 15.786 1.00 0.36 C ATOM 475 O LEU A 112 15.443 10.955 15.297 1.00 0.43 O ATOM 476 CB LEU A 112 17.275 12.708 13.729 1.00 0.30 C ATOM 477 CG LEU A 112 17.200 14.003 12.893 1.00 0.29 C ATOM 478 CD1 LEU A 112 18.139 13.891 11.686 1.00 0.22 C ATOM 479 CD2 LEU A 112 15.766 14.235 12.382 1.00 0.45 C ATOM 0 H LEU A 112 18.722 13.708 15.511 1.00 0.28 H new ATOM 0 HA LEU A 112 15.892 13.628 15.116 1.00 0.32 H new ATOM 0 HB2 LEU A 112 18.305 12.353 13.769 1.00 0.30 H new ATOM 0 HB3 LEU A 112 16.686 11.925 13.252 1.00 0.30 H new ATOM 0 HG LEU A 112 17.497 14.839 13.527 1.00 0.29 H new ATOM 0 HD11 LEU A 112 18.085 14.806 11.097 1.00 0.22 H new ATOM 0 HD12 LEU A 112 19.162 13.743 12.033 1.00 0.22 H new ATOM 0 HD13 LEU A 112 17.839 13.044 11.069 1.00 0.22 H new ATOM 0 HD21 LEU A 112 15.733 15.153 11.795 1.00 0.45 H new ATOM 0 HD22 LEU A 112 15.461 13.394 11.759 1.00 0.45 H new ATOM 0 HD23 LEU A 112 15.087 14.323 13.230 1.00 0.45 H new ATOM 491 N GLY A 113 16.956 11.232 16.868 1.00 0.35 N ATOM 492 CA GLY A 113 16.585 9.940 17.532 1.00 0.41 C ATOM 493 C GLY A 113 17.576 8.841 17.135 1.00 0.25 C ATOM 494 O GLY A 113 17.568 7.760 17.688 1.00 0.23 O ATOM 0 H GLY A 113 17.708 11.750 17.323 1.00 0.35 H new ATOM 0 HA2 GLY A 113 16.584 10.066 18.615 1.00 0.41 H new ATOM 0 HA3 GLY A 113 15.574 9.651 17.244 1.00 0.41 H new ATOM 498 N GLU A 114 18.443 9.112 16.196 1.00 0.23 N ATOM 499 CA GLU A 114 19.451 8.087 15.782 1.00 0.16 C ATOM 500 C GLU A 114 20.738 8.344 16.563 1.00 0.17 C ATOM 501 O GLU A 114 21.331 9.394 16.445 1.00 0.30 O ATOM 502 CB GLU A 114 19.732 8.224 14.284 1.00 0.31 C ATOM 503 CG GLU A 114 18.435 8.027 13.498 1.00 0.32 C ATOM 504 CD GLU A 114 18.732 8.092 11.998 1.00 1.29 C ATOM 505 OE1 GLU A 114 19.843 8.458 11.650 1.00 1.69 O ATOM 506 OE2 GLU A 114 17.844 7.775 11.224 1.00 2.29 O ATOM 0 H GLU A 114 18.498 9.999 15.696 1.00 0.23 H new ATOM 0 HA GLU A 114 19.076 7.084 15.985 1.00 0.16 H new ATOM 0 HB2 GLU A 114 20.152 9.207 14.071 1.00 0.31 H new ATOM 0 HB3 GLU A 114 20.472 7.487 13.974 1.00 0.31 H new ATOM 0 HG2 GLU A 114 17.987 7.066 13.750 1.00 0.32 H new ATOM 0 HG3 GLU A 114 17.712 8.796 13.770 1.00 0.32 H new ATOM 513 N LYS A 115 21.193 7.392 17.343 1.00 0.05 N ATOM 514 CA LYS A 115 22.463 7.594 18.116 1.00 0.07 C ATOM 515 C LYS A 115 23.579 6.779 17.464 1.00 0.16 C ATOM 516 O LYS A 115 23.688 5.583 17.644 1.00 0.16 O ATOM 517 CB LYS A 115 22.267 7.148 19.566 1.00 0.13 C ATOM 518 CG LYS A 115 21.294 8.102 20.261 1.00 0.23 C ATOM 519 CD LYS A 115 21.171 7.722 21.738 1.00 0.62 C ATOM 520 CE LYS A 115 20.233 8.705 22.443 1.00 0.67 C ATOM 521 NZ LYS A 115 19.024 8.932 21.603 1.00 1.51 N ATOM 0 H LYS A 115 20.743 6.487 17.478 1.00 0.05 H new ATOM 0 HA LYS A 115 22.732 8.650 18.109 1.00 0.07 H new ATOM 0 HB2 LYS A 115 21.880 6.130 19.596 1.00 0.13 H new ATOM 0 HB3 LYS A 115 23.223 7.141 20.089 1.00 0.13 H new ATOM 0 HG2 LYS A 115 21.646 9.129 20.167 1.00 0.23 H new ATOM 0 HG3 LYS A 115 20.317 8.055 19.780 1.00 0.23 H new ATOM 0 HD2 LYS A 115 20.787 6.706 21.832 1.00 0.62 H new ATOM 0 HD3 LYS A 115 22.153 7.737 22.211 1.00 0.62 H new ATOM 0 HE2 LYS A 115 19.943 8.311 23.417 1.00 0.67 H new ATOM 0 HE3 LYS A 115 20.747 9.650 22.621 1.00 0.67 H new ATOM 0 HZ1 LYS A 115 18.250 9.291 22.198 1.00 1.51 H new ATOM 0 HZ2 LYS A 115 19.242 9.628 20.862 1.00 1.51 H new ATOM 0 HZ3 LYS A 115 18.734 8.036 21.162 1.00 1.51 H new ATOM 535 N LEU A 116 24.399 7.434 16.688 1.00 0.29 N ATOM 536 CA LEU A 116 25.516 6.742 15.982 1.00 0.43 C ATOM 537 C LEU A 116 26.844 7.081 16.655 1.00 0.31 C ATOM 538 O LEU A 116 27.028 8.152 17.200 1.00 0.48 O ATOM 539 CB LEU A 116 25.554 7.230 14.532 1.00 0.69 C ATOM 540 CG LEU A 116 24.173 7.063 13.889 1.00 2.59 C ATOM 541 CD1 LEU A 116 24.201 7.651 12.475 1.00 3.39 C ATOM 542 CD2 LEU A 116 23.803 5.573 13.819 1.00 3.77 C ATOM 0 H LEU A 116 24.341 8.437 16.510 1.00 0.29 H new ATOM 0 HA LEU A 116 25.360 5.664 16.018 1.00 0.43 H new ATOM 0 HB2 LEU A 116 25.856 8.277 14.499 1.00 0.69 H new ATOM 0 HB3 LEU A 116 26.298 6.666 13.969 1.00 0.69 H new ATOM 0 HG LEU A 116 23.429 7.585 14.491 1.00 2.59 H new ATOM 0 HD11 LEU A 116 23.221 7.535 12.013 1.00 3.39 H new ATOM 0 HD12 LEU A 116 24.455 8.710 12.526 1.00 3.39 H new ATOM 0 HD13 LEU A 116 24.948 7.128 11.878 1.00 3.39 H new ATOM 0 HD21 LEU A 116 22.820 5.463 13.361 1.00 3.77 H new ATOM 0 HD22 LEU A 116 24.544 5.042 13.221 1.00 3.77 H new ATOM 0 HD23 LEU A 116 23.783 5.155 14.826 1.00 3.77 H new ATOM 554 N THR A 117 27.778 6.171 16.599 1.00 0.28 N ATOM 555 CA THR A 117 29.110 6.437 17.213 1.00 0.13 C ATOM 556 C THR A 117 29.947 7.236 16.214 1.00 0.22 C ATOM 557 O THR A 117 29.601 7.346 15.055 1.00 0.25 O ATOM 558 CB THR A 117 29.807 5.109 17.516 1.00 0.09 C ATOM 559 OG1 THR A 117 30.179 4.484 16.296 1.00 0.18 O ATOM 560 CG2 THR A 117 28.856 4.196 18.291 1.00 0.30 C ATOM 0 H THR A 117 27.677 5.258 16.156 1.00 0.28 H new ATOM 0 HA THR A 117 28.993 6.997 18.141 1.00 0.13 H new ATOM 0 HB THR A 117 30.698 5.294 18.117 1.00 0.09 H new ATOM 0 HG1 THR A 117 30.627 3.634 16.487 1.00 0.18 H new ATOM 0 HG21 THR A 117 29.354 3.251 18.506 1.00 0.30 H new ATOM 0 HG22 THR A 117 28.571 4.677 19.227 1.00 0.30 H new ATOM 0 HG23 THR A 117 27.964 4.009 17.693 1.00 0.30 H new ATOM 568 N ASP A 118 31.036 7.809 16.646 1.00 0.30 N ATOM 569 CA ASP A 118 31.870 8.610 15.708 1.00 0.39 C ATOM 570 C ASP A 118 32.313 7.738 14.533 1.00 0.35 C ATOM 571 O ASP A 118 32.395 8.199 13.412 1.00 0.38 O ATOM 572 CB ASP A 118 33.100 9.152 16.440 1.00 0.47 C ATOM 573 CG ASP A 118 32.688 10.316 17.345 1.00 0.45 C ATOM 574 OD1 ASP A 118 31.526 10.688 17.307 1.00 1.60 O ATOM 575 OD2 ASP A 118 33.540 10.814 18.061 1.00 0.69 O ATOM 0 H ASP A 118 31.383 7.758 17.604 1.00 0.30 H new ATOM 0 HA ASP A 118 31.279 9.445 15.332 1.00 0.39 H new ATOM 0 HB2 ASP A 118 33.560 8.362 17.034 1.00 0.47 H new ATOM 0 HB3 ASP A 118 33.847 9.485 15.719 1.00 0.47 H new ATOM 580 N GLU A 119 32.600 6.485 14.764 1.00 0.29 N ATOM 581 CA GLU A 119 33.034 5.617 13.634 1.00 0.26 C ATOM 582 C GLU A 119 31.836 5.346 12.720 1.00 0.24 C ATOM 583 O GLU A 119 31.954 5.354 11.511 1.00 0.32 O ATOM 584 CB GLU A 119 33.586 4.296 14.175 1.00 0.24 C ATOM 585 CG GLU A 119 34.198 3.484 13.029 1.00 0.29 C ATOM 586 CD GLU A 119 35.443 4.200 12.502 1.00 0.96 C ATOM 587 OE1 GLU A 119 36.030 4.960 13.255 1.00 1.48 O ATOM 588 OE2 GLU A 119 35.788 3.978 11.353 1.00 1.75 O ATOM 0 H GLU A 119 32.553 6.030 15.676 1.00 0.29 H new ATOM 0 HA GLU A 119 33.818 6.120 13.068 1.00 0.26 H new ATOM 0 HB2 GLU A 119 34.339 4.491 14.938 1.00 0.24 H new ATOM 0 HB3 GLU A 119 32.789 3.726 14.652 1.00 0.24 H new ATOM 0 HG2 GLU A 119 34.460 2.485 13.377 1.00 0.29 H new ATOM 0 HG3 GLU A 119 33.470 3.361 12.227 1.00 0.29 H new ATOM 595 N GLU A 120 30.680 5.129 13.285 1.00 0.22 N ATOM 596 CA GLU A 120 29.479 4.885 12.439 1.00 0.23 C ATOM 597 C GLU A 120 29.186 6.152 11.638 1.00 0.25 C ATOM 598 O GLU A 120 28.818 6.098 10.477 1.00 0.32 O ATOM 599 CB GLU A 120 28.277 4.551 13.325 1.00 0.23 C ATOM 600 CG GLU A 120 28.464 3.161 13.935 1.00 0.24 C ATOM 601 CD GLU A 120 27.252 2.818 14.803 1.00 0.35 C ATOM 602 OE1 GLU A 120 26.427 3.694 15.006 1.00 0.68 O ATOM 603 OE2 GLU A 120 27.168 1.686 15.249 1.00 0.62 O ATOM 0 H GLU A 120 30.516 5.110 14.292 1.00 0.22 H new ATOM 0 HA GLU A 120 29.664 4.048 11.766 1.00 0.23 H new ATOM 0 HB2 GLU A 120 28.176 5.296 14.114 1.00 0.23 H new ATOM 0 HB3 GLU A 120 27.359 4.582 12.738 1.00 0.23 H new ATOM 0 HG2 GLU A 120 28.581 2.419 13.146 1.00 0.24 H new ATOM 0 HG3 GLU A 120 29.374 3.135 14.535 1.00 0.24 H new ATOM 610 N VAL A 121 29.359 7.298 12.236 1.00 0.19 N ATOM 611 CA VAL A 121 29.095 8.552 11.487 1.00 0.19 C ATOM 612 C VAL A 121 30.190 8.718 10.435 1.00 0.20 C ATOM 613 O VAL A 121 29.910 8.937 9.274 1.00 0.23 O ATOM 614 CB VAL A 121 29.070 9.747 12.447 1.00 0.18 C ATOM 615 CG1 VAL A 121 28.978 11.058 11.656 1.00 0.44 C ATOM 616 CG2 VAL A 121 27.860 9.620 13.376 1.00 0.44 C ATOM 0 H VAL A 121 29.668 7.418 13.201 1.00 0.19 H new ATOM 0 HA VAL A 121 28.122 8.504 10.997 1.00 0.19 H new ATOM 0 HB VAL A 121 29.987 9.756 13.035 1.00 0.18 H new ATOM 0 HG11 VAL A 121 28.961 11.900 12.348 1.00 0.44 H new ATOM 0 HG12 VAL A 121 29.842 11.147 10.997 1.00 0.44 H new ATOM 0 HG13 VAL A 121 28.066 11.060 11.060 1.00 0.44 H new ATOM 0 HG21 VAL A 121 27.837 10.467 14.061 1.00 0.44 H new ATOM 0 HG22 VAL A 121 26.946 9.608 12.783 1.00 0.44 H new ATOM 0 HG23 VAL A 121 27.935 8.694 13.946 1.00 0.44 H new ATOM 626 N ASP A 122 31.432 8.561 10.808 1.00 0.18 N ATOM 627 CA ASP A 122 32.517 8.665 9.793 1.00 0.18 C ATOM 628 C ASP A 122 32.170 7.728 8.639 1.00 0.19 C ATOM 629 O ASP A 122 32.308 8.075 7.482 1.00 0.22 O ATOM 630 CB ASP A 122 33.850 8.248 10.417 1.00 0.21 C ATOM 631 CG ASP A 122 34.289 9.302 11.434 1.00 0.33 C ATOM 632 OD1 ASP A 122 33.670 10.354 11.472 1.00 1.29 O ATOM 633 OD2 ASP A 122 35.235 9.042 12.158 1.00 0.80 O ATOM 0 H ASP A 122 31.739 8.367 11.761 1.00 0.18 H new ATOM 0 HA ASP A 122 32.608 9.691 9.435 1.00 0.18 H new ATOM 0 HB2 ASP A 122 33.748 7.278 10.904 1.00 0.21 H new ATOM 0 HB3 ASP A 122 34.608 8.138 9.642 1.00 0.21 H new ATOM 638 N GLU A 123 31.696 6.548 8.938 1.00 0.18 N ATOM 639 CA GLU A 123 31.316 5.605 7.852 1.00 0.19 C ATOM 640 C GLU A 123 30.283 6.284 6.954 1.00 0.17 C ATOM 641 O GLU A 123 30.353 6.207 5.744 1.00 0.18 O ATOM 642 CB GLU A 123 30.706 4.340 8.468 1.00 0.20 C ATOM 643 CG GLU A 123 30.462 3.290 7.375 1.00 1.72 C ATOM 644 CD GLU A 123 29.217 3.658 6.560 1.00 2.29 C ATOM 645 OE1 GLU A 123 28.418 4.441 7.047 1.00 2.51 O ATOM 646 OE2 GLU A 123 29.085 3.148 5.460 1.00 3.19 O ATOM 0 H GLU A 123 31.557 6.199 9.886 1.00 0.18 H new ATOM 0 HA GLU A 123 32.195 5.333 7.268 1.00 0.19 H new ATOM 0 HB2 GLU A 123 31.375 3.937 9.229 1.00 0.20 H new ATOM 0 HB3 GLU A 123 29.767 4.584 8.966 1.00 0.20 H new ATOM 0 HG2 GLU A 123 31.330 3.228 6.719 1.00 1.72 H new ATOM 0 HG3 GLU A 123 30.333 2.307 7.827 1.00 1.72 H new ATOM 653 N MET A 124 29.321 6.949 7.537 1.00 0.14 N ATOM 654 CA MET A 124 28.283 7.629 6.710 1.00 0.12 C ATOM 655 C MET A 124 28.923 8.725 5.850 1.00 0.09 C ATOM 656 O MET A 124 28.593 8.885 4.692 1.00 0.09 O ATOM 657 CB MET A 124 27.222 8.258 7.625 1.00 0.11 C ATOM 658 CG MET A 124 26.276 7.173 8.146 1.00 0.17 C ATOM 659 SD MET A 124 25.119 6.703 6.835 1.00 1.63 S ATOM 660 CE MET A 124 23.703 6.330 7.900 1.00 1.81 C ATOM 0 H MET A 124 29.210 7.050 8.546 1.00 0.14 H new ATOM 0 HA MET A 124 27.816 6.890 6.059 1.00 0.12 H new ATOM 0 HB2 MET A 124 27.704 8.765 8.461 1.00 0.11 H new ATOM 0 HB3 MET A 124 26.658 9.013 7.077 1.00 0.11 H new ATOM 0 HG2 MET A 124 26.847 6.303 8.471 1.00 0.17 H new ATOM 0 HG3 MET A 124 25.729 7.539 9.015 1.00 0.17 H new ATOM 0 HE1 MET A 124 22.860 6.013 7.286 1.00 1.81 H new ATOM 0 HE2 MET A 124 23.969 5.531 8.592 1.00 1.81 H new ATOM 0 HE3 MET A 124 23.427 7.221 8.464 1.00 1.81 H new ATOM 670 N ILE A 125 29.829 9.485 6.403 1.00 0.09 N ATOM 671 CA ILE A 125 30.473 10.569 5.605 1.00 0.07 C ATOM 672 C ILE A 125 31.360 9.941 4.522 1.00 0.08 C ATOM 673 O ILE A 125 31.363 10.370 3.387 1.00 0.08 O ATOM 674 CB ILE A 125 31.328 11.460 6.532 1.00 0.07 C ATOM 675 CG1 ILE A 125 30.418 12.382 7.374 1.00 0.06 C ATOM 676 CG2 ILE A 125 32.283 12.325 5.696 1.00 0.09 C ATOM 677 CD1 ILE A 125 29.846 11.615 8.566 1.00 0.07 C ATOM 0 H ILE A 125 30.150 9.404 7.368 1.00 0.09 H new ATOM 0 HA ILE A 125 29.705 11.182 5.134 1.00 0.07 H new ATOM 0 HB ILE A 125 31.904 10.815 7.195 1.00 0.07 H new ATOM 0 HG12 ILE A 125 30.986 13.243 7.725 1.00 0.06 H new ATOM 0 HG13 ILE A 125 29.606 12.766 6.756 1.00 0.06 H new ATOM 0 HG21 ILE A 125 32.882 12.950 6.358 1.00 0.09 H new ATOM 0 HG22 ILE A 125 32.941 11.681 5.112 1.00 0.09 H new ATOM 0 HG23 ILE A 125 31.705 12.959 5.023 1.00 0.09 H new ATOM 0 HD11 ILE A 125 29.207 12.276 9.151 1.00 0.07 H new ATOM 0 HD12 ILE A 125 29.261 10.768 8.207 1.00 0.07 H new ATOM 0 HD13 ILE A 125 30.662 11.253 9.191 1.00 0.07 H new ATOM 689 N ARG A 126 32.121 8.940 4.866 1.00 0.13 N ATOM 690 CA ARG A 126 33.015 8.308 3.855 1.00 0.15 C ATOM 691 C ARG A 126 32.183 7.711 2.719 1.00 0.10 C ATOM 692 O ARG A 126 32.521 7.842 1.559 1.00 0.09 O ATOM 693 CB ARG A 126 33.837 7.204 4.521 1.00 0.22 C ATOM 694 CG ARG A 126 34.877 6.676 3.532 1.00 0.47 C ATOM 695 CD ARG A 126 35.686 5.559 4.192 1.00 0.81 C ATOM 696 NE ARG A 126 36.817 5.173 3.304 1.00 1.67 N ATOM 697 CZ ARG A 126 37.806 4.466 3.777 1.00 2.87 C ATOM 698 NH1 ARG A 126 37.804 4.098 5.030 1.00 4.42 N ATOM 699 NH2 ARG A 126 38.796 4.126 2.999 1.00 3.16 N ATOM 0 H ARG A 126 32.163 8.533 5.800 1.00 0.13 H new ATOM 0 HA ARG A 126 33.683 9.066 3.446 1.00 0.15 H new ATOM 0 HB2 ARG A 126 34.331 7.591 5.412 1.00 0.22 H new ATOM 0 HB3 ARG A 126 33.183 6.394 4.845 1.00 0.22 H new ATOM 0 HG2 ARG A 126 34.384 6.301 2.635 1.00 0.47 H new ATOM 0 HG3 ARG A 126 35.539 7.483 3.219 1.00 0.47 H new ATOM 0 HD2 ARG A 126 36.066 5.892 5.158 1.00 0.81 H new ATOM 0 HD3 ARG A 126 35.047 4.696 4.381 1.00 0.81 H new ATOM 0 HE ARG A 126 36.819 5.461 2.326 1.00 1.67 H new ATOM 0 HH11 ARG A 126 37.029 4.363 5.638 1.00 4.42 H new ATOM 0 HH12 ARG A 126 38.577 3.545 5.400 1.00 4.42 H new ATOM 0 HH21 ARG A 126 38.797 4.413 2.020 1.00 3.16 H new ATOM 0 HH22 ARG A 126 39.569 3.573 3.369 1.00 3.16 H new ATOM 713 N GLU A 127 31.108 7.045 3.034 1.00 0.11 N ATOM 714 CA GLU A 127 30.282 6.436 1.954 1.00 0.09 C ATOM 715 C GLU A 127 29.661 7.544 1.103 1.00 0.09 C ATOM 716 O GLU A 127 29.560 7.432 -0.103 1.00 0.12 O ATOM 717 CB GLU A 127 29.175 5.580 2.575 1.00 0.16 C ATOM 718 CG GLU A 127 28.448 4.799 1.478 1.00 0.26 C ATOM 719 CD GLU A 127 29.391 3.750 0.888 1.00 0.81 C ATOM 720 OE1 GLU A 127 30.313 3.353 1.582 1.00 0.98 O ATOM 721 OE2 GLU A 127 29.176 3.361 -0.249 1.00 1.95 O ATOM 0 H GLU A 127 30.767 6.896 3.984 1.00 0.11 H new ATOM 0 HA GLU A 127 30.912 5.807 1.325 1.00 0.09 H new ATOM 0 HB2 GLU A 127 29.601 4.890 3.304 1.00 0.16 H new ATOM 0 HB3 GLU A 127 28.469 6.215 3.111 1.00 0.16 H new ATOM 0 HG2 GLU A 127 27.561 4.316 1.888 1.00 0.26 H new ATOM 0 HG3 GLU A 127 28.109 5.479 0.697 1.00 0.26 H new ATOM 728 N ALA A 128 29.230 8.610 1.722 1.00 0.08 N ATOM 729 CA ALA A 128 28.598 9.723 0.954 1.00 0.11 C ATOM 730 C ALA A 128 29.664 10.703 0.457 1.00 0.11 C ATOM 731 O ALA A 128 29.441 11.453 -0.472 1.00 0.09 O ATOM 732 CB ALA A 128 27.616 10.464 1.862 1.00 0.11 C ATOM 0 H ALA A 128 29.288 8.759 2.729 1.00 0.08 H new ATOM 0 HA ALA A 128 28.074 9.307 0.094 1.00 0.11 H new ATOM 0 HB1 ALA A 128 27.151 11.279 1.307 1.00 0.11 H new ATOM 0 HB2 ALA A 128 26.846 9.773 2.206 1.00 0.11 H new ATOM 0 HB3 ALA A 128 28.150 10.869 2.721 1.00 0.11 H new ATOM 738 N ASP A 129 30.825 10.701 1.056 1.00 0.15 N ATOM 739 CA ASP A 129 31.898 11.633 0.602 1.00 0.20 C ATOM 740 C ASP A 129 32.611 11.031 -0.607 1.00 0.20 C ATOM 741 O ASP A 129 33.427 10.138 -0.488 1.00 0.24 O ATOM 742 CB ASP A 129 32.904 11.850 1.735 1.00 0.28 C ATOM 743 CG ASP A 129 34.028 12.768 1.252 1.00 1.08 C ATOM 744 OD1 ASP A 129 34.006 13.139 0.090 1.00 1.93 O ATOM 745 OD2 ASP A 129 34.891 13.086 2.054 1.00 1.71 O ATOM 0 H ASP A 129 31.076 10.096 1.838 1.00 0.15 H new ATOM 0 HA ASP A 129 31.456 12.590 0.326 1.00 0.20 H new ATOM 0 HB2 ASP A 129 32.406 12.291 2.598 1.00 0.28 H new ATOM 0 HB3 ASP A 129 33.315 10.894 2.058 1.00 0.28 H new ATOM 750 N ILE A 130 32.274 11.502 -1.778 1.00 0.18 N ATOM 751 CA ILE A 130 32.883 10.958 -3.027 1.00 0.19 C ATOM 752 C ILE A 130 34.152 11.728 -3.404 1.00 0.30 C ATOM 753 O ILE A 130 35.044 11.187 -4.028 1.00 0.45 O ATOM 754 CB ILE A 130 31.867 11.092 -4.164 1.00 0.09 C ATOM 755 CG1 ILE A 130 30.641 10.228 -3.849 1.00 0.10 C ATOM 756 CG2 ILE A 130 32.504 10.628 -5.479 1.00 0.06 C ATOM 757 CD1 ILE A 130 29.536 10.502 -4.872 1.00 0.13 C ATOM 0 H ILE A 130 31.595 12.249 -1.924 1.00 0.18 H new ATOM 0 HA ILE A 130 33.149 9.914 -2.861 1.00 0.19 H new ATOM 0 HB ILE A 130 31.562 12.134 -4.263 1.00 0.09 H new ATOM 0 HG12 ILE A 130 30.914 9.173 -3.869 1.00 0.10 H new ATOM 0 HG13 ILE A 130 30.280 10.445 -2.844 1.00 0.10 H new ATOM 0 HG21 ILE A 130 31.780 10.724 -6.288 1.00 0.06 H new ATOM 0 HG22 ILE A 130 33.376 11.244 -5.698 1.00 0.06 H new ATOM 0 HG23 ILE A 130 32.810 9.586 -5.387 1.00 0.06 H new ATOM 0 HD11 ILE A 130 28.667 9.885 -4.643 1.00 0.13 H new ATOM 0 HD12 ILE A 130 29.255 11.554 -4.831 1.00 0.13 H new ATOM 0 HD13 ILE A 130 29.898 10.262 -5.872 1.00 0.13 H new ATOM 769 N ASP A 131 34.249 12.985 -3.054 1.00 0.31 N ATOM 770 CA ASP A 131 35.469 13.765 -3.427 1.00 0.41 C ATOM 771 C ASP A 131 36.538 13.600 -2.349 1.00 0.65 C ATOM 772 O ASP A 131 37.610 14.164 -2.432 1.00 0.73 O ATOM 773 CB ASP A 131 35.104 15.245 -3.564 1.00 0.32 C ATOM 774 CG ASP A 131 34.554 15.762 -2.233 1.00 0.39 C ATOM 775 OD1 ASP A 131 34.645 15.040 -1.254 1.00 1.15 O ATOM 776 OD2 ASP A 131 34.049 16.873 -2.215 1.00 1.08 O ATOM 0 H ASP A 131 33.543 13.502 -2.530 1.00 0.31 H new ATOM 0 HA ASP A 131 35.857 13.395 -4.376 1.00 0.41 H new ATOM 0 HB2 ASP A 131 35.982 15.821 -3.855 1.00 0.32 H new ATOM 0 HB3 ASP A 131 34.362 15.376 -4.351 1.00 0.32 H new ATOM 781 N GLY A 132 36.258 12.827 -1.338 1.00 0.76 N ATOM 782 CA GLY A 132 37.263 12.623 -0.259 1.00 1.00 C ATOM 783 C GLY A 132 37.599 13.964 0.396 1.00 0.97 C ATOM 784 O GLY A 132 38.644 14.535 0.153 1.00 1.15 O ATOM 0 H GLY A 132 35.377 12.328 -1.212 1.00 0.76 H new ATOM 0 HA2 GLY A 132 36.873 11.931 0.487 1.00 1.00 H new ATOM 0 HA3 GLY A 132 38.166 12.173 -0.671 1.00 1.00 H new ATOM 788 N ASP A 133 36.728 14.465 1.239 1.00 0.75 N ATOM 789 CA ASP A 133 36.997 15.766 1.934 1.00 0.73 C ATOM 790 C ASP A 133 36.670 15.603 3.420 1.00 0.44 C ATOM 791 O ASP A 133 37.052 16.407 4.246 1.00 0.36 O ATOM 792 CB ASP A 133 36.136 16.877 1.324 1.00 0.86 C ATOM 793 CG ASP A 133 34.663 16.642 1.670 1.00 1.64 C ATOM 794 OD1 ASP A 133 34.348 15.555 2.125 1.00 2.01 O ATOM 795 OD2 ASP A 133 33.877 17.554 1.473 1.00 2.49 O ATOM 0 H ASP A 133 35.838 14.027 1.477 1.00 0.75 H new ATOM 0 HA ASP A 133 38.045 16.039 1.814 1.00 0.73 H new ATOM 0 HB2 ASP A 133 36.457 17.848 1.702 1.00 0.86 H new ATOM 0 HB3 ASP A 133 36.266 16.898 0.242 1.00 0.86 H new ATOM 800 N GLY A 134 35.973 14.552 3.761 1.00 0.31 N ATOM 801 CA GLY A 134 35.626 14.308 5.190 1.00 0.06 C ATOM 802 C GLY A 134 34.313 15.009 5.549 1.00 0.07 C ATOM 803 O GLY A 134 33.934 15.072 6.702 1.00 0.14 O ATOM 0 H GLY A 134 35.628 13.849 3.107 1.00 0.31 H new ATOM 0 HA2 GLY A 134 35.535 13.237 5.371 1.00 0.06 H new ATOM 0 HA3 GLY A 134 36.427 14.672 5.833 1.00 0.06 H new ATOM 807 N GLN A 135 33.609 15.532 4.574 1.00 0.08 N ATOM 808 CA GLN A 135 32.310 16.221 4.862 1.00 0.14 C ATOM 809 C GLN A 135 31.300 15.894 3.756 1.00 0.15 C ATOM 810 O GLN A 135 31.669 15.456 2.685 1.00 0.19 O ATOM 811 CB GLN A 135 32.532 17.733 4.925 1.00 0.20 C ATOM 812 CG GLN A 135 33.510 18.060 6.055 1.00 0.36 C ATOM 813 CD GLN A 135 33.668 19.576 6.171 1.00 0.49 C ATOM 814 OE1 GLN A 135 33.318 20.307 5.265 1.00 0.61 O ATOM 815 NE2 GLN A 135 34.185 20.085 7.256 1.00 1.71 N ATOM 0 H GLN A 135 33.878 15.512 3.590 1.00 0.08 H new ATOM 0 HA GLN A 135 31.922 15.875 5.820 1.00 0.14 H new ATOM 0 HB2 GLN A 135 32.925 18.093 3.974 1.00 0.20 H new ATOM 0 HB3 GLN A 135 31.584 18.244 5.092 1.00 0.20 H new ATOM 0 HG2 GLN A 135 33.145 17.649 6.996 1.00 0.36 H new ATOM 0 HG3 GLN A 135 34.477 17.597 5.858 1.00 0.36 H new ATOM 0 HE21 GLN A 135 34.479 19.472 8.017 1.00 1.71 H new ATOM 0 HE22 GLN A 135 34.295 21.095 7.343 1.00 1.71 H new ATOM 824 N VAL A 136 30.028 16.088 4.010 1.00 0.20 N ATOM 825 CA VAL A 136 28.984 15.771 2.980 1.00 0.21 C ATOM 826 C VAL A 136 28.377 17.060 2.430 1.00 0.30 C ATOM 827 O VAL A 136 27.886 17.895 3.163 1.00 0.35 O ATOM 828 CB VAL A 136 27.876 14.937 3.626 1.00 0.14 C ATOM 829 CG1 VAL A 136 26.847 14.550 2.562 1.00 0.12 C ATOM 830 CG2 VAL A 136 28.479 13.668 4.234 1.00 0.09 C ATOM 0 H VAL A 136 29.665 16.454 4.890 1.00 0.20 H new ATOM 0 HA VAL A 136 29.448 15.216 2.165 1.00 0.21 H new ATOM 0 HB VAL A 136 27.392 15.520 4.409 1.00 0.14 H new ATOM 0 HG11 VAL A 136 26.056 13.956 3.020 1.00 0.12 H new ATOM 0 HG12 VAL A 136 26.417 15.452 2.127 1.00 0.12 H new ATOM 0 HG13 VAL A 136 27.334 13.966 1.781 1.00 0.12 H new ATOM 0 HG21 VAL A 136 27.689 13.074 4.694 1.00 0.09 H new ATOM 0 HG22 VAL A 136 28.963 13.084 3.451 1.00 0.09 H new ATOM 0 HG23 VAL A 136 29.215 13.941 4.990 1.00 0.09 H new ATOM 840 N ASN A 137 28.389 17.210 1.129 1.00 0.35 N ATOM 841 CA ASN A 137 27.795 18.422 0.493 1.00 0.46 C ATOM 842 C ASN A 137 26.372 18.083 0.031 1.00 0.46 C ATOM 843 O ASN A 137 25.913 16.968 0.180 1.00 0.77 O ATOM 844 CB ASN A 137 28.653 18.841 -0.707 1.00 0.55 C ATOM 845 CG ASN A 137 29.177 17.596 -1.422 1.00 1.43 C ATOM 846 OD1 ASN A 137 28.522 17.063 -2.295 1.00 1.43 O ATOM 847 ND2 ASN A 137 30.340 17.107 -1.088 1.00 2.45 N ATOM 0 H ASN A 137 28.789 16.537 0.476 1.00 0.35 H new ATOM 0 HA ASN A 137 27.762 19.246 1.206 1.00 0.46 H new ATOM 0 HB2 ASN A 137 28.063 19.447 -1.395 1.00 0.55 H new ATOM 0 HB3 ASN A 137 29.487 19.459 -0.373 1.00 0.55 H new ATOM 0 HD21 ASN A 137 30.699 16.277 -1.560 1.00 2.45 H new ATOM 0 HD22 ASN A 137 30.890 17.555 -0.355 1.00 2.45 H new ATOM 854 N TYR A 138 25.666 19.036 -0.509 1.00 0.42 N ATOM 855 CA TYR A 138 24.268 18.772 -0.958 1.00 0.38 C ATOM 856 C TYR A 138 24.229 17.667 -2.015 1.00 0.37 C ATOM 857 O TYR A 138 23.419 16.767 -1.934 1.00 0.31 O ATOM 858 CB TYR A 138 23.674 20.055 -1.546 1.00 0.43 C ATOM 859 CG TYR A 138 22.280 19.776 -2.066 1.00 0.33 C ATOM 860 CD1 TYR A 138 21.271 19.378 -1.181 1.00 1.03 C ATOM 861 CD2 TYR A 138 21.996 19.913 -3.432 1.00 0.99 C ATOM 862 CE1 TYR A 138 19.982 19.118 -1.658 1.00 0.86 C ATOM 863 CE2 TYR A 138 20.705 19.653 -3.909 1.00 1.16 C ATOM 864 CZ TYR A 138 19.698 19.255 -3.021 1.00 0.40 C ATOM 0 H TYR A 138 25.996 19.989 -0.660 1.00 0.42 H new ATOM 0 HA TYR A 138 23.685 18.446 -0.096 1.00 0.38 H new ATOM 0 HB2 TYR A 138 23.640 20.834 -0.785 1.00 0.43 H new ATOM 0 HB3 TYR A 138 24.307 20.425 -2.353 1.00 0.43 H new ATOM 0 HD1 TYR A 138 21.488 19.272 -0.128 1.00 1.03 H new ATOM 0 HD2 TYR A 138 22.773 20.219 -4.117 1.00 0.99 H new ATOM 0 HE1 TYR A 138 19.205 18.811 -0.973 1.00 0.86 H new ATOM 0 HE2 TYR A 138 20.486 19.759 -4.961 1.00 1.16 H new ATOM 873 N GLU A 139 25.069 17.709 -3.012 1.00 0.47 N ATOM 874 CA GLU A 139 25.027 16.643 -4.055 1.00 0.48 C ATOM 875 C GLU A 139 25.239 15.272 -3.407 1.00 0.39 C ATOM 876 O GLU A 139 24.527 14.322 -3.678 1.00 0.35 O ATOM 877 CB GLU A 139 26.133 16.890 -5.085 1.00 0.52 C ATOM 878 CG GLU A 139 26.121 18.361 -5.508 1.00 1.36 C ATOM 879 CD GLU A 139 27.148 18.579 -6.619 1.00 1.39 C ATOM 880 OE1 GLU A 139 27.887 17.652 -6.906 1.00 0.77 O ATOM 881 OE2 GLU A 139 27.179 19.670 -7.165 1.00 2.90 O ATOM 0 H GLU A 139 25.778 18.429 -3.150 1.00 0.47 H new ATOM 0 HA GLU A 139 24.055 16.664 -4.547 1.00 0.48 H new ATOM 0 HB2 GLU A 139 27.103 16.631 -4.661 1.00 0.52 H new ATOM 0 HB3 GLU A 139 25.984 16.250 -5.954 1.00 0.52 H new ATOM 0 HG2 GLU A 139 25.127 18.642 -5.856 1.00 1.36 H new ATOM 0 HG3 GLU A 139 26.352 18.998 -4.654 1.00 1.36 H new ATOM 888 N GLU A 140 26.213 15.168 -2.548 1.00 0.40 N ATOM 889 CA GLU A 140 26.484 13.870 -1.872 1.00 0.34 C ATOM 890 C GLU A 140 25.315 13.514 -0.954 1.00 0.33 C ATOM 891 O GLU A 140 24.916 12.370 -0.857 1.00 0.31 O ATOM 892 CB GLU A 140 27.761 14.001 -1.044 1.00 0.37 C ATOM 893 CG GLU A 140 28.970 14.015 -1.981 1.00 1.00 C ATOM 894 CD GLU A 140 30.233 14.315 -1.176 1.00 1.49 C ATOM 895 OE1 GLU A 140 30.110 14.548 0.014 1.00 2.77 O ATOM 896 OE2 GLU A 140 31.302 14.305 -1.764 1.00 1.46 O ATOM 0 H GLU A 140 26.837 15.931 -2.284 1.00 0.40 H new ATOM 0 HA GLU A 140 26.604 13.084 -2.618 1.00 0.34 H new ATOM 0 HB2 GLU A 140 27.733 14.917 -0.453 1.00 0.37 H new ATOM 0 HB3 GLU A 140 27.840 13.171 -0.342 1.00 0.37 H new ATOM 0 HG2 GLU A 140 29.066 13.052 -2.483 1.00 1.00 H new ATOM 0 HG3 GLU A 140 28.833 14.767 -2.758 1.00 1.00 H new ATOM 903 N PHE A 141 24.758 14.484 -0.283 1.00 0.36 N ATOM 904 CA PHE A 141 23.612 14.197 0.621 1.00 0.36 C ATOM 905 C PHE A 141 22.454 13.629 -0.202 1.00 0.36 C ATOM 906 O PHE A 141 21.813 12.673 0.186 1.00 0.38 O ATOM 907 CB PHE A 141 23.160 15.493 1.305 1.00 0.37 C ATOM 908 CG PHE A 141 22.273 15.154 2.480 1.00 0.28 C ATOM 909 CD1 PHE A 141 22.842 14.643 3.652 1.00 0.35 C ATOM 910 CD2 PHE A 141 20.888 15.342 2.399 1.00 0.13 C ATOM 911 CE1 PHE A 141 22.029 14.318 4.743 1.00 0.27 C ATOM 912 CE2 PHE A 141 20.074 15.019 3.492 1.00 0.04 C ATOM 913 CZ PHE A 141 20.646 14.506 4.664 1.00 0.12 C ATOM 0 H PHE A 141 25.047 15.461 -0.322 1.00 0.36 H new ATOM 0 HA PHE A 141 23.917 13.475 1.379 1.00 0.36 H new ATOM 0 HB2 PHE A 141 24.027 16.062 1.641 1.00 0.37 H new ATOM 0 HB3 PHE A 141 22.621 16.122 0.597 1.00 0.37 H new ATOM 0 HD1 PHE A 141 23.911 14.499 3.714 1.00 0.35 H new ATOM 0 HD2 PHE A 141 20.448 15.736 1.495 1.00 0.13 H new ATOM 0 HE1 PHE A 141 22.470 13.922 5.646 1.00 0.27 H new ATOM 0 HE2 PHE A 141 19.006 15.165 3.432 1.00 0.04 H new ATOM 0 HZ PHE A 141 20.018 14.256 5.506 1.00 0.12 H new ATOM 923 N VAL A 142 22.186 14.211 -1.339 1.00 0.35 N ATOM 924 CA VAL A 142 21.074 13.706 -2.191 1.00 0.35 C ATOM 925 C VAL A 142 21.362 12.266 -2.609 1.00 0.34 C ATOM 926 O VAL A 142 20.526 11.400 -2.472 1.00 0.35 O ATOM 927 CB VAL A 142 20.946 14.581 -3.440 1.00 0.36 C ATOM 928 CG1 VAL A 142 19.872 13.998 -4.360 1.00 0.40 C ATOM 929 CG2 VAL A 142 20.548 16.002 -3.029 1.00 0.31 C ATOM 0 H VAL A 142 22.690 15.015 -1.714 1.00 0.35 H new ATOM 0 HA VAL A 142 20.143 13.741 -1.625 1.00 0.35 H new ATOM 0 HB VAL A 142 21.901 14.608 -3.965 1.00 0.36 H new ATOM 0 HG11 VAL A 142 19.779 14.620 -5.250 1.00 0.40 H new ATOM 0 HG12 VAL A 142 20.153 12.986 -4.652 1.00 0.40 H new ATOM 0 HG13 VAL A 142 18.917 13.972 -3.834 1.00 0.40 H new ATOM 0 HG21 VAL A 142 20.457 16.626 -3.918 1.00 0.31 H new ATOM 0 HG22 VAL A 142 19.593 15.975 -2.505 1.00 0.31 H new ATOM 0 HG23 VAL A 142 21.311 16.418 -2.371 1.00 0.31 H new ATOM 939 N GLN A 143 22.525 11.993 -3.130 1.00 0.31 N ATOM 940 CA GLN A 143 22.819 10.596 -3.560 1.00 0.27 C ATOM 941 C GLN A 143 22.695 9.647 -2.364 1.00 0.30 C ATOM 942 O GLN A 143 22.169 8.558 -2.476 1.00 0.31 O ATOM 943 CB GLN A 143 24.234 10.521 -4.136 1.00 0.25 C ATOM 944 CG GLN A 143 24.501 9.108 -4.658 1.00 0.22 C ATOM 945 CD GLN A 143 25.891 9.053 -5.295 1.00 0.40 C ATOM 946 OE1 GLN A 143 26.517 10.073 -5.502 1.00 0.82 O ATOM 947 NE2 GLN A 143 26.403 7.897 -5.615 1.00 1.57 N ATOM 0 H GLN A 143 23.277 12.666 -3.276 1.00 0.31 H new ATOM 0 HA GLN A 143 22.103 10.299 -4.326 1.00 0.27 H new ATOM 0 HB2 GLN A 143 24.348 11.245 -4.943 1.00 0.25 H new ATOM 0 HB3 GLN A 143 24.964 10.780 -3.369 1.00 0.25 H new ATOM 0 HG2 GLN A 143 24.435 8.389 -3.842 1.00 0.22 H new ATOM 0 HG3 GLN A 143 23.743 8.830 -5.390 1.00 0.22 H new ATOM 0 HE21 GLN A 143 25.877 7.041 -5.441 1.00 1.57 H new ATOM 0 HE22 GLN A 143 27.329 7.849 -6.039 1.00 1.57 H new ATOM 956 N MET A 144 23.185 10.045 -1.224 1.00 0.32 N ATOM 957 CA MET A 144 23.109 9.162 -0.023 1.00 0.34 C ATOM 958 C MET A 144 21.654 8.990 0.428 1.00 0.34 C ATOM 959 O MET A 144 21.260 7.935 0.883 1.00 0.38 O ATOM 960 CB MET A 144 23.902 9.801 1.121 1.00 0.33 C ATOM 961 CG MET A 144 23.899 8.875 2.346 1.00 0.35 C ATOM 962 SD MET A 144 22.370 9.111 3.286 1.00 0.27 S ATOM 963 CE MET A 144 22.929 10.516 4.280 1.00 0.79 C ATOM 0 H MET A 144 23.637 10.946 -1.070 1.00 0.32 H new ATOM 0 HA MET A 144 23.523 8.187 -0.280 1.00 0.34 H new ATOM 0 HB2 MET A 144 24.927 9.991 0.802 1.00 0.33 H new ATOM 0 HB3 MET A 144 23.465 10.765 1.383 1.00 0.33 H new ATOM 0 HG2 MET A 144 23.985 7.836 2.029 1.00 0.35 H new ATOM 0 HG3 MET A 144 24.762 9.088 2.977 1.00 0.35 H new ATOM 0 HE1 MET A 144 22.069 11.113 4.583 1.00 0.79 H new ATOM 0 HE2 MET A 144 23.448 10.151 5.166 1.00 0.79 H new ATOM 0 HE3 MET A 144 23.608 11.132 3.690 1.00 0.79 H new ATOM 973 N MET A 145 20.859 10.022 0.333 1.00 0.31 N ATOM 974 CA MET A 145 19.435 9.928 0.786 1.00 0.31 C ATOM 975 C MET A 145 18.514 9.549 -0.379 1.00 0.35 C ATOM 976 O MET A 145 17.478 8.944 -0.189 1.00 0.36 O ATOM 977 CB MET A 145 18.993 11.292 1.336 1.00 0.29 C ATOM 978 CG MET A 145 20.032 11.838 2.356 1.00 0.26 C ATOM 979 SD MET A 145 19.275 11.980 3.999 1.00 0.24 S ATOM 980 CE MET A 145 18.991 10.214 4.276 1.00 0.19 C ATOM 0 H MET A 145 21.133 10.931 -0.040 1.00 0.31 H new ATOM 0 HA MET A 145 19.367 9.159 1.556 1.00 0.31 H new ATOM 0 HB2 MET A 145 18.876 12.000 0.515 1.00 0.29 H new ATOM 0 HB3 MET A 145 18.019 11.197 1.817 1.00 0.29 H new ATOM 0 HG2 MET A 145 20.894 11.173 2.400 1.00 0.26 H new ATOM 0 HG3 MET A 145 20.397 12.812 2.030 1.00 0.26 H new ATOM 0 HE1 MET A 145 19.181 9.975 5.322 1.00 0.19 H new ATOM 0 HE2 MET A 145 17.958 9.968 4.029 1.00 0.19 H new ATOM 0 HE3 MET A 145 19.663 9.634 3.644 1.00 0.19 H new ATOM 990 N THR A 146 18.878 9.905 -1.579 1.00 0.40 N ATOM 991 CA THR A 146 18.010 9.564 -2.742 1.00 0.46 C ATOM 992 C THR A 146 17.703 8.065 -2.720 1.00 0.56 C ATOM 993 O THR A 146 16.568 7.652 -2.848 1.00 0.82 O ATOM 994 CB THR A 146 18.726 9.927 -4.047 1.00 0.40 C ATOM 995 OG1 THR A 146 18.860 11.339 -4.134 1.00 0.52 O ATOM 996 CG2 THR A 146 17.915 9.418 -5.241 1.00 0.42 C ATOM 0 H THR A 146 19.733 10.414 -1.805 1.00 0.40 H new ATOM 0 HA THR A 146 17.079 10.128 -2.679 1.00 0.46 H new ATOM 0 HB THR A 146 19.713 9.464 -4.058 1.00 0.40 H new ATOM 0 HG1 THR A 146 19.065 11.703 -3.248 1.00 0.52 H new ATOM 0 HG21 THR A 146 18.428 9.678 -6.167 1.00 0.42 H new ATOM 0 HG22 THR A 146 17.812 8.335 -5.176 1.00 0.42 H new ATOM 0 HG23 THR A 146 16.927 9.878 -5.232 1.00 0.42 H new ATOM 1004 N ALA A 147 18.708 7.247 -2.558 1.00 0.46 N ATOM 1005 CA ALA A 147 18.479 5.773 -2.526 1.00 0.53 C ATOM 1006 C ALA A 147 17.567 5.366 -3.686 1.00 0.74 C ATOM 1007 O ALA A 147 17.677 5.875 -4.784 1.00 1.28 O ATOM 1008 CB ALA A 147 17.819 5.389 -1.201 1.00 1.25 C ATOM 0 H ALA A 147 19.680 7.536 -2.446 1.00 0.46 H new ATOM 0 HA ALA A 147 19.435 5.258 -2.621 1.00 0.53 H new ATOM 0 HB1 ALA A 147 17.651 4.312 -1.177 1.00 1.25 H new ATOM 0 HB2 ALA A 147 18.470 5.674 -0.374 1.00 1.25 H new ATOM 0 HB3 ALA A 147 16.865 5.907 -1.106 1.00 1.25 H new ATOM 1014 N LYS A 148 16.665 4.452 -3.450 1.00 0.73 N ATOM 1015 CA LYS A 148 15.747 4.012 -4.538 1.00 1.42 C ATOM 1016 C LYS A 148 14.571 3.244 -3.933 1.00 1.99 C ATOM 1017 CB LYS A 148 16.506 3.105 -5.509 1.00 1.41 C ATOM 1018 CG LYS A 148 17.235 2.012 -4.724 1.00 1.57 C ATOM 1019 CD LYS A 148 17.790 0.964 -5.693 1.00 0.54 C ATOM 1020 CE LYS A 148 18.714 1.636 -6.714 1.00 1.53 C ATOM 1021 NZ LYS A 148 19.520 2.694 -6.041 1.00 2.26 N ATOM 0 H LYS A 148 16.525 3.991 -2.551 1.00 0.73 H new ATOM 0 HA LYS A 148 15.373 4.884 -5.074 1.00 1.42 H new ATOM 0 HB2 LYS A 148 15.813 2.656 -6.220 1.00 1.41 H new ATOM 0 HB3 LYS A 148 17.221 3.691 -6.087 1.00 1.41 H new ATOM 0 HG2 LYS A 148 18.046 2.449 -4.142 1.00 1.57 H new ATOM 0 HG3 LYS A 148 16.552 1.542 -4.017 1.00 1.57 H new ATOM 0 HD2 LYS A 148 18.338 0.200 -5.141 1.00 0.54 H new ATOM 0 HD3 LYS A 148 16.971 0.461 -6.207 1.00 0.54 H new ATOM 0 HE2 LYS A 148 19.373 0.895 -7.165 1.00 1.53 H new ATOM 0 HE3 LYS A 148 18.125 2.072 -7.521 1.00 1.53 H new ATOM 0 HZ1 LYS A 148 20.367 2.899 -6.608 1.00 2.26 H new ATOM 0 HZ2 LYS A 148 18.949 3.558 -5.947 1.00 2.26 H new ATOM 0 HZ3 LYS A 148 19.807 2.364 -5.097 1.00 2.26 H new TER 1035 LYS A 148 HETATM 1036 CA CA A1000 27.633 23.510 8.049 1.00 1.00 CA HETATM 1037 CA CA A1001 32.569 15.280 0.266 1.00 1.00 CA