USER MOD reduce.3.24.130724 H: found=0, std=0, add=142, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 117 hydrogens (3 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-H: A 9 SEP H2 : A 9 SEP N : A 8 GLN C :(H bumps) USER MOD NoAdj-H: A 9 SEP H : A 9 SEP N : A 8 GLN C :(H bumps) USER MOD Single : A 1 CYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 CYS SG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 0.839 -10.407 -8.997 1.00 0.00 N ATOM 2 CA CYS A 1 0.972 -8.923 -8.957 1.00 0.00 C ATOM 3 C CYS A 1 -0.293 -8.277 -8.359 1.00 0.00 C ATOM 4 O CYS A 1 -1.395 -8.503 -8.868 1.00 0.00 O ATOM 5 CB CYS A 1 1.285 -8.346 -10.362 1.00 0.00 C ATOM 6 SG CYS A 1 1.597 -6.551 -10.271 1.00 0.00 S ATOM 0 H1 CYS A 1 1.702 -10.822 -9.403 1.00 0.00 H new ATOM 0 H2 CYS A 1 0.702 -10.769 -8.032 1.00 0.00 H new ATOM 0 H3 CYS A 1 0.021 -10.667 -9.584 1.00 0.00 H new ATOM 0 HA CYS A 1 1.814 -8.680 -8.309 1.00 0.00 H new ATOM 0 HB2 CYS A 1 2.156 -8.850 -10.781 1.00 0.00 H new ATOM 0 HB3 CYS A 1 0.449 -8.541 -11.034 1.00 0.00 H new ATOM 0 HG CYS A 1 1.858 -6.095 -11.460 1.00 0.00 H new ATOM 13 N ARG A 2 -0.140 -7.459 -7.302 1.00 0.00 N ATOM 14 CA ARG A 2 -1.201 -6.614 -6.720 1.00 0.00 C ATOM 15 C ARG A 2 -0.645 -5.232 -6.341 1.00 0.00 C ATOM 16 O ARG A 2 0.106 -5.086 -5.377 1.00 0.00 O ATOM 17 CB ARG A 2 -1.849 -7.295 -5.494 1.00 0.00 C ATOM 18 CG ARG A 2 -2.856 -8.389 -5.885 1.00 0.00 C ATOM 19 CD ARG A 2 -3.583 -8.957 -4.658 1.00 0.00 C ATOM 20 NE ARG A 2 -4.652 -9.893 -5.057 1.00 0.00 N ATOM 21 CZ ARG A 2 -5.911 -9.589 -5.362 1.00 0.00 C ATOM 22 NH1 ARG A 2 -6.747 -10.545 -5.707 1.00 0.00 N ATOM 23 NH2 ARG A 2 -6.365 -8.352 -5.336 1.00 0.00 N ATOM 0 H ARG A 2 0.751 -7.364 -6.814 1.00 0.00 H new ATOM 0 HA ARG A 2 -1.975 -6.480 -7.476 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -1.068 -7.732 -4.871 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -2.354 -6.541 -4.890 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -3.586 -7.979 -6.583 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -2.336 -9.194 -6.404 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -2.869 -9.470 -4.014 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -4.010 -8.141 -4.075 1.00 0.00 H new ATOM 0 HE ARG A 2 -4.398 -10.880 -5.104 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -6.429 -11.514 -5.740 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -7.713 -10.317 -5.942 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -5.744 -7.586 -5.075 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -7.337 -8.160 -5.577 1.00 0.00 H new ATOM 34 N LYS A 3 -1.063 -4.209 -7.091 1.00 0.00 N ATOM 35 CA LYS A 3 -0.826 -2.779 -6.830 1.00 0.00 C ATOM 36 C LYS A 3 -2.173 -2.109 -6.483 1.00 0.00 C ATOM 37 O LYS A 3 -2.764 -1.433 -7.324 1.00 0.00 O ATOM 38 CB LYS A 3 -0.140 -2.149 -8.065 1.00 0.00 C ATOM 39 CG LYS A 3 1.305 -2.638 -8.255 1.00 0.00 C ATOM 40 CD LYS A 3 2.070 -1.818 -9.308 1.00 0.00 C ATOM 41 CE LYS A 3 1.457 -1.943 -10.712 1.00 0.00 C ATOM 42 NZ LYS A 3 2.188 -1.113 -11.708 1.00 0.00 N ATOM 0 H LYS A 3 -1.605 -4.359 -7.942 1.00 0.00 H new ATOM 0 HA LYS A 3 -0.159 -2.632 -5.981 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -0.719 -2.385 -8.957 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -0.141 -1.064 -7.962 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.832 -2.583 -7.303 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.294 -3.686 -8.553 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.078 -0.769 -9.011 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.108 -2.149 -9.338 1.00 0.00 H new ATOM 0 HE2 LYS A 3 1.475 -2.987 -11.025 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.411 -1.637 -10.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.746 -1.223 -12.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.150 -0.114 -11.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.180 -1.422 -11.756 1.00 0.00 H new ATOM 52 N ALA A 4 -2.666 -2.382 -5.259 1.00 0.00 N ATOM 53 CA ALA A 4 -4.005 -2.078 -4.705 1.00 0.00 C ATOM 54 C ALA A 4 -4.842 -1.066 -5.521 1.00 0.00 C ATOM 55 O ALA A 4 -4.693 0.145 -5.349 1.00 0.00 O ATOM 56 CB ALA A 4 -3.851 -1.656 -3.228 1.00 0.00 C ATOM 0 H ALA A 4 -2.088 -2.863 -4.570 1.00 0.00 H new ATOM 0 HA ALA A 4 -4.592 -2.994 -4.774 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.832 -1.430 -2.810 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -3.395 -2.469 -2.663 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -3.218 -0.771 -3.167 1.00 0.00 H new ATOM 62 N GLY A 5 -5.736 -1.561 -6.391 1.00 0.00 N ATOM 63 CA GLY A 5 -6.483 -0.735 -7.364 1.00 0.00 C ATOM 64 C GLY A 5 -7.485 0.226 -6.718 1.00 0.00 C ATOM 65 O GLY A 5 -7.742 1.304 -7.252 1.00 0.00 O ATOM 0 H GLY A 5 -5.966 -2.553 -6.443 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -5.773 -0.160 -7.958 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -7.015 -1.392 -8.051 1.00 0.00 H new ATOM 69 N VAL A 6 -8.002 -0.142 -5.542 1.00 0.00 N ATOM 70 CA VAL A 6 -8.808 0.729 -4.654 1.00 0.00 C ATOM 71 C VAL A 6 -8.041 1.971 -4.159 1.00 0.00 C ATOM 72 O VAL A 6 -8.644 3.001 -3.857 1.00 0.00 O ATOM 73 CB VAL A 6 -9.303 -0.036 -3.405 1.00 0.00 C ATOM 74 CG1 VAL A 6 -10.516 -0.913 -3.752 1.00 0.00 C ATOM 75 CG2 VAL A 6 -8.228 -0.892 -2.705 1.00 0.00 C ATOM 0 H VAL A 6 -7.873 -1.080 -5.162 1.00 0.00 H new ATOM 0 HA VAL A 6 -9.647 1.051 -5.271 1.00 0.00 H new ATOM 0 HB VAL A 6 -9.583 0.740 -2.692 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -10.849 -1.443 -2.860 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.325 -0.284 -4.124 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -10.236 -1.635 -4.519 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.666 -1.391 -1.841 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.848 -1.639 -3.401 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -7.409 -0.251 -2.377 1.00 0.00 H new ATOM 85 N GLY A 7 -6.715 1.855 -4.073 1.00 0.00 N ATOM 86 CA GLY A 7 -5.765 2.805 -3.504 1.00 0.00 C ATOM 87 C GLY A 7 -4.727 2.049 -2.676 1.00 0.00 C ATOM 88 O GLY A 7 -5.089 1.316 -1.755 1.00 0.00 O ATOM 0 H GLY A 7 -6.242 1.025 -4.430 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.274 3.366 -4.299 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.288 3.529 -2.879 1.00 0.00 H new ATOM 92 N GLN A 8 -3.442 2.225 -2.993 1.00 0.00 N ATOM 93 CA GLN A 8 -2.297 1.727 -2.212 1.00 0.00 C ATOM 94 C GLN A 8 -2.113 2.537 -0.921 1.00 0.00 C ATOM 95 O GLN A 8 -1.107 3.225 -0.719 1.00 0.00 O ATOM 96 CB GLN A 8 -1.015 1.634 -3.068 1.00 0.00 C ATOM 97 CG GLN A 8 -0.936 0.318 -3.854 1.00 0.00 C ATOM 98 CD GLN A 8 0.399 0.179 -4.585 1.00 0.00 C ATOM 99 OE1 GLN A 8 0.514 0.426 -5.779 1.00 0.00 O ATOM 100 NE2 GLN A 8 1.456 -0.222 -3.906 1.00 0.00 N ATOM 0 H GLN A 8 -3.156 2.735 -3.829 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.516 0.705 -1.903 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -0.983 2.473 -3.763 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.142 1.722 -2.422 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -1.067 -0.522 -3.172 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -1.753 0.274 -4.575 1.00 0.00 H new ATOM 0 HE21 GLN A 8 1.374 -0.431 -2.911 1.00 0.00 H new ATOM 0 HE22 GLN A 8 2.356 -0.323 -4.376 1.00 0.00 H new HETATM 107 N SEP A 9 -3.114 2.411 -0.040 1.00 0.00 N HETATM 108 CA SEP A 9 -3.085 2.903 1.344 1.00 0.00 C HETATM 109 CB SEP A 9 -3.284 4.436 1.384 1.00 0.00 C HETATM 110 OG SEP A 9 -4.587 4.799 0.939 1.00 0.00 O HETATM 111 C SEP A 9 -4.006 2.186 2.358 1.00 0.00 C HETATM 112 O SEP A 9 -4.160 2.629 3.501 1.00 0.00 O HETATM 113 P SEP A 9 -5.081 6.346 0.831 1.00 0.00 P HETATM 114 O1P SEP A 9 -4.172 6.977 -0.164 1.00 0.00 O HETATM 115 O2P SEP A 9 -6.487 6.215 0.361 1.00 0.00 O HETATM 116 O3P SEP A 9 -4.958 6.890 2.209 1.00 0.00 O HETATM 0 HB3 SEP A 9 -3.130 4.799 2.400 1.00 0.00 H new HETATM 0 HB2 SEP A 9 -2.535 4.919 0.756 1.00 0.00 H new HETATM 0 HA SEP A 9 -2.086 2.644 1.694 1.00 0.00 H new ATOM 120 N TRP A 10 -4.579 1.047 1.960 1.00 0.00 N ATOM 121 CA TRP A 10 -5.480 0.191 2.744 1.00 0.00 C ATOM 122 C TRP A 10 -4.960 -0.151 4.155 1.00 0.00 C ATOM 123 O TRP A 10 -5.561 0.243 5.156 1.00 0.00 O ATOM 124 CB TRP A 10 -5.753 -1.080 1.915 1.00 0.00 C ATOM 125 CG TRP A 10 -4.563 -1.783 1.312 1.00 0.00 C ATOM 126 CD1 TRP A 10 -3.946 -1.424 0.167 1.00 0.00 C ATOM 127 CD2 TRP A 10 -3.803 -2.939 1.788 1.00 0.00 C ATOM 128 NE1 TRP A 10 -2.948 -2.321 -0.136 1.00 0.00 N ATOM 129 CE2 TRP A 10 -2.842 -3.297 0.810 1.00 0.00 C ATOM 130 CE3 TRP A 10 -3.763 -3.681 2.978 1.00 0.00 C ATOM 131 CZ2 TRP A 10 -1.982 -4.383 0.949 1.00 0.00 C ATOM 132 CZ3 TRP A 10 -2.856 -4.752 3.162 1.00 0.00 C ATOM 133 CH2 TRP A 10 -1.980 -5.121 2.136 1.00 0.00 C ATOM 0 H TRP A 10 -4.418 0.673 1.025 1.00 0.00 H new ATOM 0 HA TRP A 10 -6.401 0.743 2.930 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -6.278 -1.792 2.552 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -6.433 -0.815 1.106 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -4.199 -0.558 -0.426 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -2.359 -2.263 -0.967 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -4.444 -3.428 3.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -1.318 -4.655 0.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -2.840 -5.287 4.100 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -1.313 -5.962 2.259 1.00 0.00 H new ATOM 143 N LYS A 11 -3.846 -0.891 4.221 1.00 0.00 N ATOM 144 CA LYS A 11 -3.124 -1.281 5.447 1.00 0.00 C ATOM 145 C LYS A 11 -1.609 -1.315 5.150 1.00 0.00 C ATOM 146 O LYS A 11 -0.848 -0.515 5.696 1.00 0.00 O ATOM 147 CB LYS A 11 -3.617 -2.607 6.098 1.00 0.00 C ATOM 148 CG LYS A 11 -5.146 -2.786 6.243 1.00 0.00 C ATOM 149 CD LYS A 11 -5.582 -4.246 6.473 1.00 0.00 C ATOM 150 CE LYS A 11 -5.487 -5.136 5.209 1.00 0.00 C ATOM 151 NZ LYS A 11 -6.120 -6.466 5.426 1.00 0.00 N ATOM 0 H LYS A 11 -3.398 -1.254 3.380 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.342 -0.523 6.200 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.232 -3.439 5.508 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.170 -2.686 7.089 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.496 -2.176 7.076 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.634 -2.408 5.344 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.963 -4.680 7.258 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -6.610 -4.255 6.835 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -5.972 -4.634 4.372 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.440 -5.271 4.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.038 -7.035 4.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.640 -6.955 6.208 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -7.125 -6.338 5.662 1.00 0.00 H new ATOM 161 N GLU A 12 -1.220 -2.203 4.220 1.00 0.00 N ATOM 162 CA GLU A 12 0.130 -2.453 3.694 1.00 0.00 C ATOM 163 C GLU A 12 1.123 -2.952 4.774 1.00 0.00 C ATOM 164 O GLU A 12 0.806 -2.997 5.965 1.00 0.00 O ATOM 165 CB GLU A 12 0.659 -1.247 2.890 1.00 0.00 C ATOM 166 CG GLU A 12 -0.208 -0.921 1.658 1.00 0.00 C ATOM 167 CD GLU A 12 0.555 -0.036 0.654 1.00 0.00 C ATOM 168 OE1 GLU A 12 1.111 1.013 1.058 1.00 0.00 O ATOM 169 OE2 GLU A 12 0.616 -0.402 -0.546 1.00 0.00 O ATOM 0 H GLU A 12 -1.904 -2.818 3.779 1.00 0.00 H new ATOM 0 HA GLU A 12 0.044 -3.282 2.991 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.701 -0.373 3.540 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.679 -1.452 2.566 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.514 -1.847 1.171 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.118 -0.412 1.976 1.00 0.00 H new ATOM 174 N ASN A 13 2.328 -3.368 4.355 1.00 0.00 N ATOM 175 CA ASN A 13 3.364 -3.947 5.232 1.00 0.00 C ATOM 176 C ASN A 13 4.620 -3.056 5.398 1.00 0.00 C ATOM 177 O ASN A 13 5.570 -3.444 6.083 1.00 0.00 O ATOM 178 CB ASN A 13 3.734 -5.343 4.698 1.00 0.00 C ATOM 179 CG ASN A 13 2.584 -6.337 4.850 1.00 0.00 C ATOM 180 OD1 ASN A 13 2.328 -6.857 5.931 1.00 0.00 O ATOM 181 ND2 ASN A 13 1.854 -6.631 3.787 1.00 0.00 N ATOM 0 H ASN A 13 2.618 -3.311 3.379 1.00 0.00 H new ATOM 0 HA ASN A 13 2.944 -4.020 6.235 1.00 0.00 H new ATOM 0 HB2 ASN A 13 4.011 -5.267 3.647 1.00 0.00 H new ATOM 0 HB3 ASN A 13 4.608 -5.715 5.232 1.00 0.00 H new ATOM 0 HD21 ASN A 13 1.079 -7.289 3.867 1.00 0.00 H new ATOM 0 HD22 ASN A 13 2.066 -6.199 2.888 1.00 0.00 H new ATOM 187 N SER A 14 4.664 -1.874 4.778 1.00 0.00 N ATOM 188 CA SER A 14 5.840 -0.983 4.788 1.00 0.00 C ATOM 189 C SER A 14 6.118 -0.340 6.166 1.00 0.00 C ATOM 190 O SER A 14 5.168 -0.049 6.907 1.00 0.00 O ATOM 191 CB SER A 14 5.662 0.161 3.769 1.00 0.00 C ATOM 192 OG SER A 14 5.321 -0.340 2.480 1.00 0.00 O ATOM 0 H SER A 14 3.878 -1.499 4.247 1.00 0.00 H new ATOM 0 HA SER A 14 6.685 -1.622 4.530 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.883 0.840 4.115 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.584 0.739 3.704 1.00 0.00 H new ATOM 0 HG SER A 14 5.213 0.408 1.856 1.00 0.00 H new ATOM 197 N PRO A 15 7.393 -0.036 6.493 1.00 0.00 N ATOM 198 CA PRO A 15 7.754 0.773 7.661 1.00 0.00 C ATOM 199 C PRO A 15 7.495 2.274 7.430 1.00 0.00 C ATOM 200 O PRO A 15 7.506 3.038 8.394 1.00 0.00 O ATOM 201 CB PRO A 15 9.244 0.500 7.880 1.00 0.00 C ATOM 202 CG PRO A 15 9.771 0.239 6.472 1.00 0.00 C ATOM 203 CD PRO A 15 8.601 -0.475 5.796 1.00 0.00 C ATOM 0 HA PRO A 15 7.150 0.509 8.529 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.744 1.350 8.344 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.403 -0.358 8.533 1.00 0.00 H new ATOM 0 HG2 PRO A 15 10.029 1.165 5.959 1.00 0.00 H new ATOM 0 HG3 PRO A 15 10.669 -0.379 6.485 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.552 -0.223 4.737 1.00 0.00 H new ATOM 0 HD3 PRO A 15 8.716 -1.557 5.861 1.00 0.00 H new ATOM 208 N LEU A 16 7.315 2.691 6.160 1.00 0.00 N ATOM 209 CA LEU A 16 6.955 4.036 5.646 1.00 0.00 C ATOM 210 C LEU A 16 7.848 5.204 6.096 1.00 0.00 C ATOM 211 O LEU A 16 7.528 6.384 5.954 1.00 0.00 O ATOM 212 CB LEU A 16 5.456 4.285 5.812 1.00 0.00 C ATOM 213 CG LEU A 16 4.978 4.675 7.226 1.00 0.00 C ATOM 214 CD1 LEU A 16 4.186 5.991 7.205 1.00 0.00 C ATOM 215 CD2 LEU A 16 4.116 3.575 7.859 1.00 0.00 C ATOM 0 H LEU A 16 7.428 2.032 5.390 1.00 0.00 H new ATOM 0 HA LEU A 16 7.179 4.013 4.580 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.163 5.076 5.122 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.924 3.383 5.508 1.00 0.00 H new ATOM 0 HG LEU A 16 5.875 4.807 7.831 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.864 6.238 8.217 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.819 6.791 6.821 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.312 5.880 6.563 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.799 3.888 8.854 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.238 3.398 7.238 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.697 2.656 7.936 1.00 0.00 H new ATOM 226 N ASN A 17 8.989 4.807 6.637 1.00 0.00 N ATOM 227 CA ASN A 17 10.151 5.603 7.045 1.00 0.00 C ATOM 228 C ASN A 17 9.955 6.318 8.407 1.00 0.00 C ATOM 229 O ASN A 17 10.475 7.414 8.625 1.00 0.00 O ATOM 230 CB ASN A 17 10.618 6.511 5.882 1.00 0.00 C ATOM 231 CG ASN A 17 12.117 6.373 5.643 1.00 0.00 C ATOM 232 OD1 ASN A 17 12.917 7.226 6.013 1.00 0.00 O ATOM 233 ND2 ASN A 17 12.533 5.277 5.027 1.00 0.00 N ATOM 0 H ASN A 17 9.147 3.817 6.823 1.00 0.00 H new ATOM 0 HA ASN A 17 10.980 4.925 7.248 1.00 0.00 H new ATOM 0 HB2 ASN A 17 10.077 6.249 4.973 1.00 0.00 H new ATOM 0 HB3 ASN A 17 10.377 7.550 6.109 1.00 0.00 H new ATOM 0 HD21 ASN A 17 13.528 5.135 4.856 1.00 0.00 H new ATOM 0 HD22 ASN A 17 11.858 4.575 4.724 1.00 0.00 H new ATOM 239 N VAL A 18 9.210 5.690 9.333 1.00 0.00 N ATOM 240 CA VAL A 18 9.001 6.174 10.723 1.00 0.00 C ATOM 241 C VAL A 18 10.333 6.380 11.477 1.00 0.00 C ATOM 242 O VAL A 18 10.437 7.302 12.289 1.00 0.00 O ATOM 243 CB VAL A 18 8.078 5.204 11.513 1.00 0.00 C ATOM 244 CG1 VAL A 18 8.030 5.457 13.032 1.00 0.00 C ATOM 245 CG2 VAL A 18 6.636 5.295 10.985 1.00 0.00 C ATOM 0 H VAL A 18 8.724 4.814 9.140 1.00 0.00 H new ATOM 0 HA VAL A 18 8.513 7.146 10.650 1.00 0.00 H new ATOM 0 HB VAL A 18 8.514 4.218 11.356 1.00 0.00 H new ATOM 0 HG11 VAL A 18 7.362 4.734 13.500 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.031 5.351 13.450 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.663 6.466 13.221 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.999 4.611 11.546 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.268 6.314 11.105 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.617 5.024 9.929 1.00 0.00 H new ATOM 255 N SER A 19 11.356 5.565 11.182 1.00 0.00 N ATOM 256 CA SER A 19 12.704 5.613 11.784 1.00 0.00 C ATOM 257 C SER A 19 13.789 4.960 10.910 1.00 0.00 C ATOM 258 O SER A 19 14.985 5.246 11.148 1.00 0.00 O ATOM 259 CB SER A 19 12.693 5.001 13.193 1.00 0.00 C ATOM 260 OG SER A 19 12.248 3.649 13.157 1.00 0.00 O ATOM 261 OXT SER A 19 13.455 4.207 9.962 1.00 0.00 O ATOM 0 H SER A 19 11.267 4.822 10.489 1.00 0.00 H new ATOM 0 HA SER A 19 12.969 6.668 11.856 1.00 0.00 H new ATOM 0 HB2 SER A 19 13.694 5.047 13.622 1.00 0.00 H new ATOM 0 HB3 SER A 19 12.041 5.585 13.842 1.00 0.00 H new ATOM 0 HG SER A 19 12.251 3.279 14.065 1.00 0.00 H new TER 266 SER A 19