USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 494 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: B 1 ALA N :NH3+ -167:sc= 0 (180deg=-0.17) USER MOD Set 1.2: B 2 ASN : amide:sc= -8.65! C(o=-8.6!,f=-11!) USER MOD Set 2.1: A 1 ALA N :NH3+ 160:sc= -2.38! (180deg=-3.21!) USER MOD Set 2.2: B 14 GLN : amide:sc= -0.409 K(o=-2.8,f=-14!) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 7 TYR OH : rot 180:sc= -1.62 USER MOD Single : A 8 LYS NZ :NH3+ -157:sc= -0.0203 (180deg=-0.224) USER MOD Single : A 14 GLN : amide:sc= -0.0724 K(o=-0.072,f=-1.9) USER MOD Single : A 17 LYS NZ :NH3+ -149:sc= -0.0736 (180deg=-2.43!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -168:sc= -1.88 (180deg=-2.66) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.276 X(o=-0.28,f=0) USER MOD Single : B 7 TYR OH : rot 30:sc= -0.237 USER MOD Single : B 8 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0411) USER MOD Single : B 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 33 MET CE :methyl -137:sc= -2.53! (180deg=-10!) USER MOD Single : B 35 LYS NZ :NH3+ -151:sc= 0.17 (180deg=-0.136) USER MOD Single : B 36 GLN :FLIP amide:sc= -2.71! C(o=-3.9!,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.084 -2.618 0.432 1.00 31.14 N ATOM 2 CA ALA A 1 3.225 -1.454 0.306 1.00 14.14 C ATOM 3 C ALA A 1 2.070 -1.777 -0.644 1.00 64.25 C ATOM 4 O ALA A 1 0.909 -1.769 -0.241 1.00 14.04 O ATOM 5 CB ALA A 1 4.051 -0.257 -0.167 1.00 43.32 C ATOM 0 H1 ALA A 1 5.018 -2.324 0.781 1.00 31.14 H new ATOM 0 H2 ALA A 1 3.660 -3.291 1.102 1.00 31.14 H new ATOM 0 H3 ALA A 1 4.189 -3.074 -0.497 1.00 31.14 H new ATOM 0 HA ALA A 1 2.794 -1.191 1.272 1.00 14.14 H new ATOM 0 HB1 ALA A 1 3.405 0.616 -0.261 1.00 43.32 H new ATOM 0 HB2 ALA A 1 4.839 -0.049 0.557 1.00 43.32 H new ATOM 0 HB3 ALA A 1 4.499 -0.483 -1.135 1.00 43.32 H new ATOM 11 N ASN A 2 2.431 -2.055 -1.888 1.00 72.54 N ATOM 12 CA ASN A 2 1.440 -2.381 -2.900 1.00 34.31 C ATOM 13 C ASN A 2 2.109 -3.164 -4.031 1.00 44.13 C ATOM 14 O ASN A 2 3.089 -2.702 -4.614 1.00 23.32 O ATOM 15 CB ASN A 2 0.828 -1.113 -3.500 1.00 32.41 C ATOM 16 CG ASN A 2 -0.641 -0.969 -3.095 1.00 14.12 C ATOM 17 OD1 ASN A 2 -0.974 -0.452 -2.041 1.00 45.32 O ATOM 18 ND2 ASN A 2 -1.499 -1.454 -3.989 1.00 31.05 N ATOM 0 H ASN A 2 3.396 -2.061 -2.218 1.00 72.54 H new ATOM 0 HA ASN A 2 0.656 -2.971 -2.426 1.00 34.31 H new ATOM 0 HB2 ASN A 2 1.389 -0.240 -3.165 1.00 32.41 H new ATOM 0 HB3 ASN A 2 0.908 -1.145 -4.587 1.00 32.41 H new ATOM 0 HD21 ASN A 2 -2.502 -1.406 -3.812 1.00 31.05 H new ATOM 0 HD22 ASN A 2 -1.153 -1.874 -4.852 1.00 31.05 H new ATOM 25 N GLU A 3 1.554 -4.335 -4.307 1.00 64.01 N ATOM 26 CA GLU A 3 2.086 -5.186 -5.357 1.00 53.33 C ATOM 27 C GLU A 3 1.927 -4.509 -6.720 1.00 51.24 C ATOM 28 O GLU A 3 0.808 -4.269 -7.172 1.00 64.42 O ATOM 29 CB GLU A 3 1.410 -6.559 -5.345 1.00 1.12 C ATOM 30 CG GLU A 3 1.485 -7.194 -3.956 1.00 31.23 C ATOM 31 CD GLU A 3 0.349 -8.199 -3.749 1.00 40.24 C ATOM 32 OE1 GLU A 3 -0.830 -7.821 -3.810 1.00 55.23 O ATOM 33 OE2 GLU A 3 0.728 -9.411 -3.522 1.00 40.30 O ATOM 0 H GLU A 3 0.741 -4.714 -3.821 1.00 64.01 H new ATOM 0 HA GLU A 3 3.149 -5.339 -5.170 1.00 53.33 H new ATOM 0 HB2 GLU A 3 0.368 -6.458 -5.647 1.00 1.12 H new ATOM 0 HB3 GLU A 3 1.891 -7.212 -6.074 1.00 1.12 H new ATOM 0 HG2 GLU A 3 2.445 -7.695 -3.833 1.00 31.23 H new ATOM 0 HG3 GLU A 3 1.431 -6.417 -3.194 1.00 31.23 H new ATOM 40 N GLY A 4 3.063 -4.220 -7.338 1.00 4.54 N ATOM 41 CA GLY A 4 3.064 -3.574 -8.639 1.00 45.12 C ATOM 42 C GLY A 4 3.525 -2.119 -8.531 1.00 31.21 C ATOM 43 O GLY A 4 4.020 -1.546 -9.500 1.00 32.24 O ATOM 0 H GLY A 4 3.989 -4.422 -6.961 1.00 4.54 H new ATOM 0 HA2 GLY A 4 3.721 -4.118 -9.318 1.00 45.12 H new ATOM 0 HA3 GLY A 4 2.062 -3.611 -9.067 1.00 45.12 H new ATOM 47 N ASP A 5 3.345 -1.563 -7.341 1.00 54.03 N ATOM 48 CA ASP A 5 3.736 -0.185 -7.094 1.00 24.34 C ATOM 49 C ASP A 5 5.263 -0.089 -7.075 1.00 14.21 C ATOM 50 O ASP A 5 5.937 -0.953 -6.518 1.00 14.02 O ATOM 51 CB ASP A 5 3.216 0.299 -5.739 1.00 33.32 C ATOM 52 CG ASP A 5 1.834 0.955 -5.774 1.00 4.35 C ATOM 53 OD1 ASP A 5 0.937 0.303 -6.434 1.00 43.45 O ATOM 54 OD2 ASP A 5 1.624 2.033 -5.198 1.00 43.41 O ATOM 0 H ASP A 5 2.934 -2.041 -6.539 1.00 54.03 H new ATOM 0 HA ASP A 5 3.313 0.434 -7.886 1.00 24.34 H new ATOM 0 HB2 ASP A 5 3.182 -0.550 -5.056 1.00 33.32 H new ATOM 0 HB3 ASP A 5 3.930 1.012 -5.326 1.00 33.32 H new ATOM 59 N VAL A 6 5.764 0.971 -7.693 1.00 14.43 N ATOM 60 CA VAL A 6 7.199 1.193 -7.754 1.00 13.11 C ATOM 61 C VAL A 6 7.593 2.244 -6.716 1.00 23.24 C ATOM 62 O VAL A 6 6.747 2.996 -6.234 1.00 30.42 O ATOM 63 CB VAL A 6 7.608 1.576 -9.178 1.00 62.30 C ATOM 64 CG1 VAL A 6 8.621 2.723 -9.167 1.00 34.03 C ATOM 65 CG2 VAL A 6 8.159 0.365 -9.934 1.00 54.25 C ATOM 0 H VAL A 6 5.202 1.685 -8.156 1.00 14.43 H new ATOM 0 HA VAL A 6 7.738 0.278 -7.510 1.00 13.11 H new ATOM 0 HB VAL A 6 6.717 1.921 -9.702 1.00 62.30 H new ATOM 0 HG11 VAL A 6 8.895 2.976 -10.191 1.00 34.03 H new ATOM 0 HG12 VAL A 6 8.179 3.594 -8.684 1.00 34.03 H new ATOM 0 HG13 VAL A 6 9.511 2.417 -8.618 1.00 34.03 H new ATOM 0 HG21 VAL A 6 8.442 0.664 -10.943 1.00 54.25 H new ATOM 0 HG22 VAL A 6 9.033 -0.023 -9.412 1.00 54.25 H new ATOM 0 HG23 VAL A 6 7.394 -0.410 -9.987 1.00 54.25 H new ATOM 75 N TYR A 7 8.880 2.263 -6.400 1.00 3.31 N ATOM 76 CA TYR A 7 9.398 3.210 -5.427 1.00 21.15 C ATOM 77 C TYR A 7 10.743 3.782 -5.879 1.00 72.12 C ATOM 78 O TYR A 7 11.616 3.041 -6.327 1.00 43.24 O ATOM 79 CB TYR A 7 9.603 2.417 -4.134 1.00 50.24 C ATOM 80 CG TYR A 7 8.368 2.366 -3.232 1.00 40.20 C ATOM 81 CD1 TYR A 7 7.381 1.431 -3.467 1.00 14.41 C ATOM 82 CD2 TYR A 7 8.242 3.254 -2.184 1.00 51.52 C ATOM 83 CE1 TYR A 7 6.218 1.384 -2.619 1.00 31.23 C ATOM 84 CE2 TYR A 7 7.080 3.207 -1.335 1.00 63.32 C ATOM 85 CZ TYR A 7 6.125 2.273 -1.594 1.00 52.22 C ATOM 86 OH TYR A 7 5.027 2.228 -0.793 1.00 2.25 O ATOM 0 H TYR A 7 9.579 1.638 -6.801 1.00 3.31 H new ATOM 0 HA TYR A 7 8.709 4.045 -5.301 1.00 21.15 H new ATOM 0 HB2 TYR A 7 9.897 1.399 -4.387 1.00 50.24 H new ATOM 0 HB3 TYR A 7 10.429 2.858 -3.577 1.00 50.24 H new ATOM 0 HD1 TYR A 7 7.481 0.735 -4.287 1.00 14.41 H new ATOM 0 HD2 TYR A 7 9.015 3.985 -2.000 1.00 51.52 H new ATOM 0 HE1 TYR A 7 5.437 0.659 -2.793 1.00 31.23 H new ATOM 0 HE2 TYR A 7 6.969 3.897 -0.512 1.00 63.32 H new ATOM 0 HH TYR A 7 5.097 2.920 -0.103 1.00 2.25 H new ATOM 96 N LYS A 8 10.867 5.094 -5.746 1.00 75.40 N ATOM 97 CA LYS A 8 12.091 5.774 -6.136 1.00 33.44 C ATOM 98 C LYS A 8 12.605 6.605 -4.958 1.00 74.40 C ATOM 99 O LYS A 8 11.828 7.282 -4.286 1.00 43.15 O ATOM 100 CB LYS A 8 11.868 6.587 -7.412 1.00 65.21 C ATOM 101 CG LYS A 8 13.005 7.590 -7.628 1.00 33.24 C ATOM 102 CD LYS A 8 13.715 7.335 -8.958 1.00 41.04 C ATOM 103 CE LYS A 8 14.064 8.651 -9.655 1.00 13.50 C ATOM 104 NZ LYS A 8 12.837 9.317 -10.148 1.00 42.13 N ATOM 0 H LYS A 8 10.140 5.705 -5.374 1.00 75.40 H new ATOM 0 HA LYS A 8 12.869 5.050 -6.379 1.00 33.44 H new ATOM 0 HB2 LYS A 8 11.802 5.916 -8.268 1.00 65.21 H new ATOM 0 HB3 LYS A 8 10.918 7.117 -7.349 1.00 65.21 H new ATOM 0 HG2 LYS A 8 12.607 8.605 -7.613 1.00 33.24 H new ATOM 0 HG3 LYS A 8 13.721 7.516 -6.809 1.00 33.24 H new ATOM 0 HD2 LYS A 8 14.624 6.759 -8.784 1.00 41.04 H new ATOM 0 HD3 LYS A 8 13.076 6.735 -9.606 1.00 41.04 H new ATOM 0 HE2 LYS A 8 14.589 9.309 -8.962 1.00 13.50 H new ATOM 0 HE3 LYS A 8 14.741 8.460 -10.488 1.00 13.50 H new ATOM 0 HZ1 LYS A 8 13.082 9.965 -10.924 1.00 42.13 H new ATOM 0 HZ2 LYS A 8 12.168 8.600 -10.494 1.00 42.13 H new ATOM 0 HZ3 LYS A 8 12.399 9.855 -9.373 1.00 42.13 H new ATOM 117 N CYS A 9 13.910 6.524 -4.744 1.00 41.11 N ATOM 118 CA CYS A 9 14.537 7.260 -3.659 1.00 12.04 C ATOM 119 C CYS A 9 14.787 8.693 -4.133 1.00 41.22 C ATOM 120 O CYS A 9 15.142 8.915 -5.290 1.00 21.33 O ATOM 121 CB CYS A 9 15.824 6.582 -3.185 1.00 52.14 C ATOM 122 SG CYS A 9 16.632 7.385 -1.750 1.00 73.22 S ATOM 0 H CYS A 9 14.550 5.960 -5.303 1.00 41.11 H new ATOM 0 HA CYS A 9 13.873 7.275 -2.794 1.00 12.04 H new ATOM 0 HB2 CYS A 9 15.599 5.548 -2.925 1.00 52.14 H new ATOM 0 HB3 CYS A 9 16.531 6.556 -4.014 1.00 52.14 H new ATOM 127 N GLU A 10 14.594 9.628 -3.214 1.00 73.15 N ATOM 128 CA GLU A 10 14.795 11.033 -3.523 1.00 52.55 C ATOM 129 C GLU A 10 16.161 11.499 -3.017 1.00 63.44 C ATOM 130 O GLU A 10 16.325 12.657 -2.636 1.00 51.00 O ATOM 131 CB GLU A 10 13.671 11.890 -2.936 1.00 43.33 C ATOM 132 CG GLU A 10 12.400 11.783 -3.781 1.00 1.44 C ATOM 133 CD GLU A 10 12.108 13.101 -4.502 1.00 22.42 C ATOM 134 OE1 GLU A 10 12.205 14.176 -3.892 1.00 20.32 O ATOM 135 OE2 GLU A 10 11.771 12.981 -5.741 1.00 35.44 O ATOM 0 H GLU A 10 14.301 9.440 -2.255 1.00 73.15 H new ATOM 0 HA GLU A 10 14.771 11.153 -4.606 1.00 52.55 H new ATOM 0 HB2 GLU A 10 13.461 11.571 -1.915 1.00 43.33 H new ATOM 0 HB3 GLU A 10 13.991 12.931 -2.885 1.00 43.33 H new ATOM 0 HG2 GLU A 10 12.511 10.982 -4.511 1.00 1.44 H new ATOM 0 HG3 GLU A 10 11.556 11.518 -3.143 1.00 1.44 H new ATOM 142 N LEU A 11 17.108 10.572 -3.030 1.00 2.25 N ATOM 143 CA LEU A 11 18.455 10.873 -2.577 1.00 20.54 C ATOM 144 C LEU A 11 19.463 10.327 -3.590 1.00 63.43 C ATOM 145 O LEU A 11 20.195 11.091 -4.217 1.00 53.02 O ATOM 146 CB LEU A 11 18.671 10.353 -1.154 1.00 75.50 C ATOM 147 CG LEU A 11 18.827 11.418 -0.066 1.00 55.14 C ATOM 148 CD1 LEU A 11 17.759 11.256 1.017 1.00 11.41 C ATOM 149 CD2 LEU A 11 20.242 11.403 0.516 1.00 73.00 C ATOM 0 H LEU A 11 16.969 9.613 -3.347 1.00 2.25 H new ATOM 0 HA LEU A 11 18.607 11.951 -2.524 1.00 20.54 H new ATOM 0 HB2 LEU A 11 17.828 9.714 -0.890 1.00 75.50 H new ATOM 0 HB3 LEU A 11 19.562 9.725 -1.150 1.00 75.50 H new ATOM 0 HG LEU A 11 18.677 12.397 -0.521 1.00 55.14 H new ATOM 0 HD11 LEU A 11 17.893 12.025 1.778 1.00 11.41 H new ATOM 0 HD12 LEU A 11 16.770 11.355 0.570 1.00 11.41 H new ATOM 0 HD13 LEU A 11 17.853 10.272 1.476 1.00 11.41 H new ATOM 0 HD21 LEU A 11 20.327 12.169 1.287 1.00 73.00 H new ATOM 0 HD22 LEU A 11 20.446 10.425 0.952 1.00 73.00 H new ATOM 0 HD23 LEU A 11 20.963 11.604 -0.276 1.00 73.00 H new ATOM 161 N CYS A 12 19.470 9.008 -3.718 1.00 2.02 N ATOM 162 CA CYS A 12 20.376 8.350 -4.645 1.00 11.44 C ATOM 163 C CYS A 12 19.660 8.191 -5.986 1.00 52.22 C ATOM 164 O CYS A 12 20.214 8.522 -7.033 1.00 54.04 O ATOM 165 CB CYS A 12 20.869 7.009 -4.098 1.00 22.10 C ATOM 166 SG CYS A 12 19.545 5.868 -3.556 1.00 2.32 S ATOM 0 H CYS A 12 18.863 8.377 -3.195 1.00 2.02 H new ATOM 0 HA CYS A 12 21.268 8.962 -4.782 1.00 11.44 H new ATOM 0 HB2 CYS A 12 21.463 6.515 -4.867 1.00 22.10 H new ATOM 0 HB3 CYS A 12 21.534 7.199 -3.255 1.00 22.10 H new ATOM 171 N GLY A 13 18.437 7.684 -5.912 1.00 3.30 N ATOM 172 CA GLY A 13 17.639 7.476 -7.108 1.00 14.00 C ATOM 173 C GLY A 13 17.331 5.991 -7.311 1.00 13.31 C ATOM 174 O GLY A 13 17.057 5.558 -8.428 1.00 71.14 O ATOM 0 H GLY A 13 17.980 7.411 -5.042 1.00 3.30 H new ATOM 0 HA2 GLY A 13 16.708 8.037 -7.030 1.00 14.00 H new ATOM 0 HA3 GLY A 13 18.172 7.862 -7.977 1.00 14.00 H new ATOM 178 N GLN A 14 17.386 5.253 -6.212 1.00 61.12 N ATOM 179 CA GLN A 14 17.116 3.826 -6.256 1.00 44.04 C ATOM 180 C GLN A 14 15.681 3.570 -6.720 1.00 2.14 C ATOM 181 O GLN A 14 14.733 4.083 -6.127 1.00 44.11 O ATOM 182 CB GLN A 14 17.376 3.177 -4.895 1.00 24.34 C ATOM 183 CG GLN A 14 16.973 1.701 -4.905 1.00 44.30 C ATOM 184 CD GLN A 14 18.168 0.803 -4.578 1.00 13.32 C ATOM 185 OE1 GLN A 14 18.530 -0.090 -5.326 1.00 35.44 O ATOM 186 NE2 GLN A 14 18.759 1.090 -3.421 1.00 62.02 N ATOM 0 H GLN A 14 17.613 5.616 -5.286 1.00 61.12 H new ATOM 0 HA GLN A 14 17.796 3.370 -6.976 1.00 44.04 H new ATOM 0 HB2 GLN A 14 18.432 3.268 -4.641 1.00 24.34 H new ATOM 0 HB3 GLN A 14 16.816 3.705 -4.123 1.00 24.34 H new ATOM 0 HG2 GLN A 14 16.178 1.533 -4.179 1.00 44.30 H new ATOM 0 HG3 GLN A 14 16.572 1.437 -5.884 1.00 44.30 H new ATOM 0 HE21 GLN A 14 18.405 1.852 -2.842 1.00 62.02 H new ATOM 0 HE22 GLN A 14 19.567 0.548 -3.113 1.00 62.02 H new ATOM 195 N VAL A 15 15.566 2.778 -7.775 1.00 11.30 N ATOM 196 CA VAL A 15 14.262 2.450 -8.326 1.00 22.51 C ATOM 197 C VAL A 15 14.000 0.953 -8.144 1.00 64.13 C ATOM 198 O VAL A 15 14.707 0.122 -8.711 1.00 22.22 O ATOM 199 CB VAL A 15 14.182 2.897 -9.787 1.00 4.03 C ATOM 200 CG1 VAL A 15 12.879 2.425 -10.434 1.00 33.20 C ATOM 201 CG2 VAL A 15 14.336 4.414 -9.903 1.00 54.31 C ATOM 0 H VAL A 15 16.354 2.353 -8.263 1.00 11.30 H new ATOM 0 HA VAL A 15 13.477 2.986 -7.794 1.00 22.51 H new ATOM 0 HB VAL A 15 15.009 2.434 -10.326 1.00 4.03 H new ATOM 0 HG11 VAL A 15 12.847 2.756 -11.472 1.00 33.20 H new ATOM 0 HG12 VAL A 15 12.828 1.337 -10.398 1.00 33.20 H new ATOM 0 HG13 VAL A 15 12.031 2.845 -9.893 1.00 33.20 H new ATOM 0 HG21 VAL A 15 14.276 4.707 -10.951 1.00 54.31 H new ATOM 0 HG22 VAL A 15 13.540 4.904 -9.343 1.00 54.31 H new ATOM 0 HG23 VAL A 15 15.302 4.714 -9.498 1.00 54.31 H new ATOM 211 N VAL A 16 12.981 0.655 -7.351 1.00 22.23 N ATOM 212 CA VAL A 16 12.617 -0.726 -7.087 1.00 71.42 C ATOM 213 C VAL A 16 11.122 -0.915 -7.353 1.00 10.40 C ATOM 214 O VAL A 16 10.346 0.035 -7.256 1.00 45.22 O ATOM 215 CB VAL A 16 13.025 -1.113 -5.664 1.00 1.31 C ATOM 216 CG1 VAL A 16 14.334 -0.429 -5.264 1.00 12.43 C ATOM 217 CG2 VAL A 16 11.910 -0.790 -4.667 1.00 54.41 C ATOM 0 H VAL A 16 12.396 1.347 -6.883 1.00 22.23 H new ATOM 0 HA VAL A 16 13.154 -1.397 -7.758 1.00 71.42 H new ATOM 0 HB VAL A 16 13.190 -2.190 -5.644 1.00 1.31 H new ATOM 0 HG11 VAL A 16 14.601 -0.721 -4.248 1.00 12.43 H new ATOM 0 HG12 VAL A 16 15.126 -0.731 -5.949 1.00 12.43 H new ATOM 0 HG13 VAL A 16 14.208 0.653 -5.309 1.00 12.43 H new ATOM 0 HG21 VAL A 16 12.226 -1.075 -3.663 1.00 54.41 H new ATOM 0 HG22 VAL A 16 11.699 0.279 -4.691 1.00 54.41 H new ATOM 0 HG23 VAL A 16 11.010 -1.344 -4.935 1.00 54.41 H new ATOM 227 N LYS A 17 10.763 -2.147 -7.681 1.00 55.03 N ATOM 228 CA LYS A 17 9.374 -2.472 -7.962 1.00 15.51 C ATOM 229 C LYS A 17 8.847 -3.416 -6.879 1.00 1.10 C ATOM 230 O LYS A 17 9.408 -4.489 -6.660 1.00 52.13 O ATOM 231 CB LYS A 17 9.229 -3.022 -9.382 1.00 54.30 C ATOM 232 CG LYS A 17 7.958 -3.863 -9.516 1.00 31.52 C ATOM 233 CD LYS A 17 6.706 -2.994 -9.375 1.00 4.14 C ATOM 234 CE LYS A 17 6.235 -2.486 -10.738 1.00 64.42 C ATOM 235 NZ LYS A 17 5.149 -3.343 -11.264 1.00 41.14 N ATOM 0 H LYS A 17 11.409 -2.932 -7.759 1.00 55.03 H new ATOM 0 HA LYS A 17 8.758 -1.573 -7.929 1.00 15.51 H new ATOM 0 HB2 LYS A 17 9.201 -2.197 -10.094 1.00 54.30 H new ATOM 0 HB3 LYS A 17 10.099 -3.629 -9.632 1.00 54.30 H new ATOM 0 HG2 LYS A 17 7.950 -4.364 -10.484 1.00 31.52 H new ATOM 0 HG3 LYS A 17 7.952 -4.642 -8.754 1.00 31.52 H new ATOM 0 HD2 LYS A 17 5.910 -3.570 -8.903 1.00 4.14 H new ATOM 0 HD3 LYS A 17 6.918 -2.148 -8.721 1.00 4.14 H new ATOM 0 HE2 LYS A 17 5.884 -1.458 -10.648 1.00 64.42 H new ATOM 0 HE3 LYS A 17 7.071 -2.477 -11.438 1.00 64.42 H new ATOM 0 HZ1 LYS A 17 5.191 -3.358 -12.303 1.00 41.14 H new ATOM 0 HZ2 LYS A 17 5.263 -4.310 -10.899 1.00 41.14 H new ATOM 0 HZ3 LYS A 17 4.230 -2.964 -10.960 1.00 41.14 H new ATOM 248 N VAL A 18 7.777 -2.983 -6.231 1.00 15.52 N ATOM 249 CA VAL A 18 7.168 -3.776 -5.177 1.00 12.45 C ATOM 250 C VAL A 18 6.430 -4.963 -5.799 1.00 11.20 C ATOM 251 O VAL A 18 5.461 -4.780 -6.533 1.00 52.23 O ATOM 252 CB VAL A 18 6.262 -2.895 -4.314 1.00 55.52 C ATOM 253 CG1 VAL A 18 5.557 -3.720 -3.237 1.00 25.20 C ATOM 254 CG2 VAL A 18 7.050 -1.740 -3.693 1.00 65.42 C ATOM 0 H VAL A 18 7.315 -2.092 -6.415 1.00 15.52 H new ATOM 0 HA VAL A 18 7.933 -4.180 -4.514 1.00 12.45 H new ATOM 0 HB VAL A 18 5.496 -2.468 -4.962 1.00 55.52 H new ATOM 0 HG11 VAL A 18 4.920 -3.069 -2.639 1.00 25.20 H new ATOM 0 HG12 VAL A 18 4.947 -4.490 -3.710 1.00 25.20 H new ATOM 0 HG13 VAL A 18 6.301 -4.190 -2.594 1.00 25.20 H new ATOM 0 HG21 VAL A 18 6.382 -1.130 -3.085 1.00 65.42 H new ATOM 0 HG22 VAL A 18 7.848 -2.139 -3.067 1.00 65.42 H new ATOM 0 HG23 VAL A 18 7.482 -1.127 -4.484 1.00 65.42 H new ATOM 264 N LEU A 19 6.917 -6.153 -5.482 1.00 32.31 N ATOM 265 CA LEU A 19 6.316 -7.371 -6.001 1.00 52.43 C ATOM 266 C LEU A 19 5.308 -7.910 -4.984 1.00 42.02 C ATOM 267 O LEU A 19 4.127 -8.058 -5.294 1.00 74.02 O ATOM 268 CB LEU A 19 7.398 -8.380 -6.389 1.00 1.41 C ATOM 269 CG LEU A 19 7.793 -8.406 -7.867 1.00 14.04 C ATOM 270 CD1 LEU A 19 9.305 -8.240 -8.033 1.00 71.12 C ATOM 271 CD2 LEU A 19 7.277 -9.673 -8.549 1.00 62.35 C ATOM 0 H LEU A 19 7.721 -6.301 -4.872 1.00 32.31 H new ATOM 0 HA LEU A 19 5.764 -7.163 -6.918 1.00 52.43 H new ATOM 0 HB2 LEU A 19 8.290 -8.171 -5.799 1.00 1.41 H new ATOM 0 HB3 LEU A 19 7.056 -9.376 -6.107 1.00 1.41 H new ATOM 0 HG LEU A 19 7.320 -7.558 -8.363 1.00 14.04 H new ATOM 0 HD11 LEU A 19 9.559 -8.262 -9.093 1.00 71.12 H new ATOM 0 HD12 LEU A 19 9.616 -7.287 -7.605 1.00 71.12 H new ATOM 0 HD13 LEU A 19 9.819 -9.053 -7.520 1.00 71.12 H new ATOM 0 HD21 LEU A 19 7.571 -9.667 -9.599 1.00 62.35 H new ATOM 0 HD22 LEU A 19 7.701 -10.549 -8.058 1.00 62.35 H new ATOM 0 HD23 LEU A 19 6.190 -9.708 -8.477 1.00 62.35 H new ATOM 283 N GLU A 20 5.811 -8.189 -3.790 1.00 52.24 N ATOM 284 CA GLU A 20 4.969 -8.708 -2.727 1.00 62.21 C ATOM 285 C GLU A 20 4.943 -7.734 -1.547 1.00 32.43 C ATOM 286 O GLU A 20 5.797 -7.801 -0.664 1.00 5.41 O ATOM 287 CB GLU A 20 5.439 -10.095 -2.283 1.00 44.05 C ATOM 288 CG GLU A 20 4.266 -11.074 -2.207 1.00 14.41 C ATOM 289 CD GLU A 20 4.675 -12.462 -2.703 1.00 44.20 C ATOM 290 OE1 GLU A 20 5.615 -13.061 -2.160 1.00 30.31 O ATOM 291 OE2 GLU A 20 3.980 -12.916 -3.689 1.00 74.00 O ATOM 0 H GLU A 20 6.791 -8.065 -3.536 1.00 52.24 H new ATOM 0 HA GLU A 20 3.954 -8.810 -3.111 1.00 62.21 H new ATOM 0 HB2 GLU A 20 6.186 -10.471 -2.982 1.00 44.05 H new ATOM 0 HB3 GLU A 20 5.922 -10.024 -1.308 1.00 44.05 H new ATOM 0 HG2 GLU A 20 3.911 -11.142 -1.179 1.00 14.41 H new ATOM 0 HG3 GLU A 20 3.436 -10.700 -2.807 1.00 14.41 H new ATOM 298 N GLU A 21 3.954 -6.854 -1.570 1.00 35.05 N ATOM 299 CA GLU A 21 3.805 -5.868 -0.512 1.00 71.12 C ATOM 300 C GLU A 21 3.850 -6.547 0.857 1.00 24.13 C ATOM 301 O GLU A 21 3.594 -7.745 0.969 1.00 25.22 O ATOM 302 CB GLU A 21 2.513 -5.068 -0.685 1.00 71.45 C ATOM 303 CG GLU A 21 1.286 -5.953 -0.453 1.00 21.13 C ATOM 304 CD GLU A 21 0.472 -5.458 0.745 1.00 70.22 C ATOM 305 OE1 GLU A 21 -0.114 -4.366 0.688 1.00 25.30 O ATOM 306 OE2 GLU A 21 0.460 -6.251 1.762 1.00 53.33 O ATOM 0 H GLU A 21 3.248 -6.802 -2.304 1.00 35.05 H new ATOM 0 HA GLU A 21 4.638 -5.168 -0.576 1.00 71.12 H new ATOM 0 HB2 GLU A 21 2.501 -4.233 0.015 1.00 71.45 H new ATOM 0 HB3 GLU A 21 2.475 -4.643 -1.688 1.00 71.45 H new ATOM 0 HG2 GLU A 21 0.661 -5.956 -1.346 1.00 21.13 H new ATOM 0 HG3 GLU A 21 1.602 -6.982 -0.282 1.00 21.13 H new ATOM 313 N GLY A 22 4.179 -5.754 1.866 1.00 11.24 N ATOM 314 CA GLY A 22 4.261 -6.264 3.225 1.00 41.33 C ATOM 315 C GLY A 22 3.531 -5.340 4.202 1.00 22.35 C ATOM 316 O GLY A 22 2.307 -5.226 4.157 1.00 23.11 O ATOM 0 H GLY A 22 4.392 -4.761 1.770 1.00 11.24 H new ATOM 0 HA2 GLY A 22 3.826 -7.263 3.269 1.00 41.33 H new ATOM 0 HA3 GLY A 22 5.306 -6.358 3.520 1.00 41.33 H new ATOM 320 N GLY A 23 4.313 -4.705 5.063 1.00 62.11 N ATOM 321 CA GLY A 23 3.756 -3.796 6.049 1.00 44.41 C ATOM 322 C GLY A 23 4.846 -2.907 6.654 1.00 23.51 C ATOM 323 O GLY A 23 4.970 -2.814 7.874 1.00 75.51 O ATOM 0 H GLY A 23 5.328 -4.802 5.098 1.00 62.11 H new ATOM 0 HA2 GLY A 23 2.991 -3.174 5.584 1.00 44.41 H new ATOM 0 HA3 GLY A 23 3.267 -4.366 6.839 1.00 44.41 H new ATOM 327 N GLY A 24 5.611 -2.280 5.772 1.00 55.43 N ATOM 328 CA GLY A 24 6.686 -1.403 6.204 1.00 30.50 C ATOM 329 C GLY A 24 7.032 -0.383 5.118 1.00 73.45 C ATOM 330 O GLY A 24 6.315 -0.261 4.125 1.00 43.01 O ATOM 0 H GLY A 24 5.508 -2.362 4.761 1.00 55.43 H new ATOM 0 HA2 GLY A 24 6.392 -0.883 7.116 1.00 30.50 H new ATOM 0 HA3 GLY A 24 7.568 -1.995 6.446 1.00 30.50 H new ATOM 334 N THR A 25 8.130 0.323 5.342 1.00 52.42 N ATOM 335 CA THR A 25 8.579 1.329 4.394 1.00 52.32 C ATOM 336 C THR A 25 10.037 1.079 4.003 1.00 54.43 C ATOM 337 O THR A 25 10.833 0.622 4.820 1.00 71.42 O ATOM 338 CB THR A 25 8.345 2.706 5.020 1.00 54.00 C ATOM 339 OG1 THR A 25 6.943 2.918 4.878 1.00 52.41 O ATOM 340 CG2 THR A 25 8.977 3.836 4.204 1.00 63.54 C ATOM 0 H THR A 25 8.722 0.219 6.166 1.00 52.42 H new ATOM 0 HA THR A 25 8.012 1.278 3.464 1.00 52.32 H new ATOM 0 HB THR A 25 8.751 2.718 6.032 1.00 54.00 H new ATOM 0 HG1 THR A 25 6.703 3.788 5.260 1.00 52.41 H new ATOM 0 HG21 THR A 25 8.781 4.791 4.692 1.00 63.54 H new ATOM 0 HG22 THR A 25 10.053 3.677 4.136 1.00 63.54 H new ATOM 0 HG23 THR A 25 8.547 3.846 3.202 1.00 63.54 H new ATOM 348 N LEU A 26 10.340 1.392 2.751 1.00 65.11 N ATOM 349 CA LEU A 26 11.689 1.207 2.241 1.00 51.44 C ATOM 350 C LEU A 26 12.523 2.451 2.554 1.00 72.32 C ATOM 351 O LEU A 26 12.779 3.269 1.673 1.00 64.34 O ATOM 352 CB LEU A 26 11.655 0.848 0.753 1.00 14.14 C ATOM 353 CG LEU A 26 10.514 -0.072 0.312 1.00 23.43 C ATOM 354 CD1 LEU A 26 10.256 0.056 -1.190 1.00 44.31 C ATOM 355 CD2 LEU A 26 10.788 -1.520 0.725 1.00 22.43 C ATOM 0 H LEU A 26 9.676 1.772 2.076 1.00 65.11 H new ATOM 0 HA LEU A 26 12.172 0.365 2.738 1.00 51.44 H new ATOM 0 HB2 LEU A 26 11.594 1.772 0.178 1.00 14.14 H new ATOM 0 HB3 LEU A 26 12.600 0.372 0.492 1.00 14.14 H new ATOM 0 HG LEU A 26 9.604 0.243 0.823 1.00 23.43 H new ATOM 0 HD11 LEU A 26 9.441 -0.608 -1.477 1.00 44.31 H new ATOM 0 HD12 LEU A 26 9.986 1.085 -1.426 1.00 44.31 H new ATOM 0 HD13 LEU A 26 11.157 -0.218 -1.739 1.00 44.31 H new ATOM 0 HD21 LEU A 26 9.963 -2.153 0.400 1.00 22.43 H new ATOM 0 HD22 LEU A 26 11.713 -1.862 0.260 1.00 22.43 H new ATOM 0 HD23 LEU A 26 10.884 -1.577 1.809 1.00 22.43 H new ATOM 367 N VAL A 27 12.924 2.553 3.813 1.00 11.52 N ATOM 368 CA VAL A 27 13.724 3.684 4.254 1.00 42.15 C ATOM 369 C VAL A 27 15.112 3.600 3.615 1.00 13.51 C ATOM 370 O VAL A 27 15.938 2.786 4.023 1.00 41.44 O ATOM 371 CB VAL A 27 13.770 3.728 5.782 1.00 42.13 C ATOM 372 CG1 VAL A 27 14.730 4.816 6.270 1.00 71.02 C ATOM 373 CG2 VAL A 27 12.371 3.926 6.367 1.00 2.44 C ATOM 0 H VAL A 27 12.710 1.872 4.541 1.00 11.52 H new ATOM 0 HA VAL A 27 13.273 4.622 3.930 1.00 42.15 H new ATOM 0 HB VAL A 27 14.146 2.768 6.134 1.00 42.13 H new ATOM 0 HG11 VAL A 27 14.744 4.826 7.360 1.00 71.02 H new ATOM 0 HG12 VAL A 27 15.733 4.611 5.896 1.00 71.02 H new ATOM 0 HG13 VAL A 27 14.397 5.787 5.902 1.00 71.02 H new ATOM 0 HG21 VAL A 27 12.432 3.954 7.455 1.00 2.44 H new ATOM 0 HG22 VAL A 27 11.954 4.865 6.003 1.00 2.44 H new ATOM 0 HG23 VAL A 27 11.728 3.101 6.061 1.00 2.44 H new ATOM 383 N CYS A 28 15.325 4.454 2.623 1.00 31.44 N ATOM 384 CA CYS A 28 16.598 4.487 1.925 1.00 33.40 C ATOM 385 C CYS A 28 17.191 5.889 2.072 1.00 51.33 C ATOM 386 O CYS A 28 16.491 6.885 1.891 1.00 51.44 O ATOM 387 CB CYS A 28 16.448 4.082 0.457 1.00 22.41 C ATOM 388 SG CYS A 28 18.027 3.837 -0.436 1.00 73.52 S ATOM 0 H CYS A 28 14.637 5.128 2.287 1.00 31.44 H new ATOM 0 HA CYS A 28 17.277 3.759 2.368 1.00 33.40 H new ATOM 0 HB2 CYS A 28 15.871 3.159 0.406 1.00 22.41 H new ATOM 0 HB3 CYS A 28 15.870 4.848 -0.060 1.00 22.41 H new ATOM 393 N CYS A 29 18.474 5.923 2.399 1.00 0.31 N ATOM 394 CA CYS A 29 19.169 7.188 2.573 1.00 51.04 C ATOM 395 C CYS A 29 18.542 7.921 3.760 1.00 2.05 C ATOM 396 O CYS A 29 18.556 9.150 3.814 1.00 44.14 O ATOM 397 CB CYS A 29 19.133 8.032 1.298 1.00 41.44 C ATOM 398 SG CYS A 29 20.321 7.520 0.004 1.00 25.44 S ATOM 0 H CYS A 29 19.051 5.095 2.548 1.00 0.31 H new ATOM 0 HA CYS A 29 20.223 7.002 2.778 1.00 51.04 H new ATOM 0 HB2 CYS A 29 18.126 7.994 0.882 1.00 41.44 H new ATOM 0 HB3 CYS A 29 19.330 9.071 1.561 1.00 41.44 H new ATOM 403 N GLY A 30 18.008 7.136 4.684 1.00 32.42 N ATOM 404 CA GLY A 30 17.377 7.695 5.868 1.00 10.04 C ATOM 405 C GLY A 30 16.076 8.414 5.509 1.00 74.53 C ATOM 406 O GLY A 30 15.600 9.260 6.264 1.00 33.32 O ATOM 0 H GLY A 30 17.999 6.117 4.637 1.00 32.42 H new ATOM 0 HA2 GLY A 30 17.171 6.900 6.584 1.00 10.04 H new ATOM 0 HA3 GLY A 30 18.060 8.392 6.353 1.00 10.04 H new ATOM 410 N GLU A 31 15.536 8.050 4.355 1.00 13.31 N ATOM 411 CA GLU A 31 14.298 8.649 3.885 1.00 1.33 C ATOM 412 C GLU A 31 13.381 7.578 3.291 1.00 41.12 C ATOM 413 O GLU A 31 13.805 6.795 2.443 1.00 24.55 O ATOM 414 CB GLU A 31 14.577 9.759 2.869 1.00 34.34 C ATOM 415 CG GLU A 31 13.551 10.887 2.995 1.00 3.30 C ATOM 416 CD GLU A 31 14.159 12.229 2.578 1.00 23.13 C ATOM 417 OE1 GLU A 31 14.792 12.904 3.403 1.00 41.20 O ATOM 418 OE2 GLU A 31 13.955 12.561 1.350 1.00 43.42 O ATOM 0 H GLU A 31 15.933 7.347 3.731 1.00 13.31 H new ATOM 0 HA GLU A 31 13.790 9.101 4.737 1.00 1.33 H new ATOM 0 HB2 GLU A 31 15.580 10.156 3.025 1.00 34.34 H new ATOM 0 HB3 GLU A 31 14.550 9.349 1.860 1.00 34.34 H new ATOM 0 HG2 GLU A 31 12.684 10.667 2.372 1.00 3.30 H new ATOM 0 HG3 GLU A 31 13.196 10.948 4.024 1.00 3.30 H new ATOM 425 N ASP A 32 12.142 7.579 3.759 1.00 70.30 N ATOM 426 CA ASP A 32 11.162 6.617 3.285 1.00 14.50 C ATOM 427 C ASP A 32 10.957 6.805 1.780 1.00 30.55 C ATOM 428 O ASP A 32 10.305 7.755 1.352 1.00 41.12 O ATOM 429 CB ASP A 32 9.811 6.821 3.974 1.00 64.41 C ATOM 430 CG ASP A 32 9.422 8.280 4.215 1.00 11.44 C ATOM 431 OD1 ASP A 32 9.795 8.881 5.234 1.00 13.20 O ATOM 432 OD2 ASP A 32 8.694 8.810 3.292 1.00 40.43 O ATOM 0 H ASP A 32 11.794 8.231 4.462 1.00 70.30 H new ATOM 0 HA ASP A 32 11.534 5.618 3.510 1.00 14.50 H new ATOM 0 HB2 ASP A 32 9.037 6.350 3.369 1.00 64.41 H new ATOM 0 HB3 ASP A 32 9.827 6.302 4.932 1.00 64.41 H new ATOM 437 N MET A 33 11.528 5.882 1.018 1.00 13.24 N ATOM 438 CA MET A 33 11.416 5.933 -0.430 1.00 3.45 C ATOM 439 C MET A 33 10.015 6.374 -0.856 1.00 13.10 C ATOM 440 O MET A 33 9.033 6.076 -0.178 1.00 53.04 O ATOM 441 CB MET A 33 11.717 4.552 -1.014 1.00 31.32 C ATOM 442 CG MET A 33 12.386 4.670 -2.385 1.00 10.04 C ATOM 443 SD MET A 33 13.887 3.705 -2.417 1.00 32.11 S ATOM 444 CE MET A 33 13.394 2.403 -3.535 1.00 33.21 C ATOM 0 H MET A 33 12.069 5.095 1.377 1.00 13.24 H new ATOM 0 HA MET A 33 12.135 6.661 -0.806 1.00 3.45 H new ATOM 0 HB2 MET A 33 12.367 4.000 -0.335 1.00 31.32 H new ATOM 0 HB3 MET A 33 10.792 3.982 -1.105 1.00 31.32 H new ATOM 0 HG2 MET A 33 11.705 4.324 -3.162 1.00 10.04 H new ATOM 0 HG3 MET A 33 12.611 5.715 -2.600 1.00 10.04 H new ATOM 0 HE1 MET A 33 14.130 1.600 -3.505 1.00 33.21 H new ATOM 0 HE2 MET A 33 12.421 2.015 -3.235 1.00 33.21 H new ATOM 0 HE3 MET A 33 13.330 2.799 -4.549 1.00 33.21 H new ATOM 454 N VAL A 34 9.966 7.078 -1.977 1.00 42.33 N ATOM 455 CA VAL A 34 8.701 7.563 -2.503 1.00 11.31 C ATOM 456 C VAL A 34 8.127 6.530 -3.473 1.00 72.21 C ATOM 457 O VAL A 34 8.851 5.664 -3.964 1.00 55.15 O ATOM 458 CB VAL A 34 8.893 8.940 -3.141 1.00 40.11 C ATOM 459 CG1 VAL A 34 9.894 9.779 -2.343 1.00 42.44 C ATOM 460 CG2 VAL A 34 9.327 8.812 -4.602 1.00 71.15 C ATOM 0 H VAL A 34 10.783 7.325 -2.536 1.00 42.33 H new ATOM 0 HA VAL A 34 7.977 7.690 -1.698 1.00 11.31 H new ATOM 0 HB VAL A 34 7.933 9.455 -3.121 1.00 40.11 H new ATOM 0 HG11 VAL A 34 10.012 10.753 -2.818 1.00 42.44 H new ATOM 0 HG12 VAL A 34 9.527 9.913 -1.326 1.00 42.44 H new ATOM 0 HG13 VAL A 34 10.857 9.269 -2.317 1.00 42.44 H new ATOM 0 HG21 VAL A 34 9.456 9.805 -5.032 1.00 71.15 H new ATOM 0 HG22 VAL A 34 10.270 8.268 -4.655 1.00 71.15 H new ATOM 0 HG23 VAL A 34 8.564 8.271 -5.162 1.00 71.15 H new ATOM 470 N LYS A 35 6.831 6.653 -3.721 1.00 42.24 N ATOM 471 CA LYS A 35 6.151 5.741 -4.625 1.00 31.15 C ATOM 472 C LYS A 35 5.841 6.464 -5.936 1.00 14.20 C ATOM 473 O LYS A 35 5.648 7.680 -5.948 1.00 63.41 O ATOM 474 CB LYS A 35 4.918 5.138 -3.948 1.00 62.14 C ATOM 475 CG LYS A 35 3.713 6.073 -4.069 1.00 43.42 C ATOM 476 CD LYS A 35 3.044 5.931 -5.437 1.00 51.54 C ATOM 477 CE LYS A 35 1.709 5.194 -5.321 1.00 62.22 C ATOM 478 NZ LYS A 35 1.131 4.953 -6.662 1.00 52.20 N ATOM 0 H LYS A 35 6.234 7.371 -3.311 1.00 42.24 H new ATOM 0 HA LYS A 35 6.796 4.898 -4.872 1.00 31.15 H new ATOM 0 HB2 LYS A 35 4.683 4.176 -4.403 1.00 62.14 H new ATOM 0 HB3 LYS A 35 5.132 4.949 -2.896 1.00 62.14 H new ATOM 0 HG2 LYS A 35 2.993 5.847 -3.283 1.00 43.42 H new ATOM 0 HG3 LYS A 35 4.033 7.105 -3.922 1.00 43.42 H new ATOM 0 HD2 LYS A 35 2.882 6.918 -5.871 1.00 51.54 H new ATOM 0 HD3 LYS A 35 3.705 5.390 -6.114 1.00 51.54 H new ATOM 0 HE2 LYS A 35 1.855 4.245 -4.805 1.00 62.22 H new ATOM 0 HE3 LYS A 35 1.014 5.780 -4.719 1.00 62.22 H new ATOM 0 HZ1 LYS A 35 0.225 4.452 -6.565 1.00 52.20 H new ATOM 0 HZ2 LYS A 35 0.974 5.863 -7.141 1.00 52.20 H new ATOM 0 HZ3 LYS A 35 1.788 4.375 -7.224 1.00 52.20 H new ATOM 491 N GLN A 36 5.802 5.688 -7.008 1.00 44.25 N ATOM 492 CA GLN A 36 5.519 6.240 -8.323 1.00 32.42 C ATOM 493 C GLN A 36 4.152 5.760 -8.816 1.00 10.42 C ATOM 494 O GLN A 36 4.045 4.698 -9.425 1.00 25.32 O ATOM 495 CB GLN A 36 6.620 5.874 -9.320 1.00 44.42 C ATOM 496 CG GLN A 36 8.003 6.202 -8.754 1.00 22.15 C ATOM 497 CD GLN A 36 8.304 7.698 -8.870 1.00 42.20 C ATOM 498 OE1 GLN A 36 8.798 8.181 -9.876 1.00 22.15 O ATOM 499 NE2 GLN A 36 7.980 8.401 -7.789 1.00 61.33 N ATOM 0 H GLN A 36 5.962 4.681 -6.994 1.00 44.25 H new ATOM 0 HA GLN A 36 5.494 7.327 -8.242 1.00 32.42 H new ATOM 0 HB2 GLN A 36 6.563 4.812 -9.557 1.00 44.42 H new ATOM 0 HB3 GLN A 36 6.466 6.417 -10.252 1.00 44.42 H new ATOM 0 HG2 GLN A 36 8.053 5.898 -7.709 1.00 22.15 H new ATOM 0 HG3 GLN A 36 8.763 5.632 -9.289 1.00 22.15 H new ATOM 0 HE21 GLN A 36 7.570 7.933 -6.981 1.00 61.33 H new ATOM 0 HE22 GLN A 36 8.142 9.408 -7.768 1.00 61.33 H new TER 508 GLN A 36 ATOM 509 N ALA B 1 22.708 -3.448 -4.706 1.00 51.31 N ATOM 510 CA ALA B 1 21.425 -3.844 -5.261 1.00 53.55 C ATOM 511 C ALA B 1 21.649 -4.559 -6.595 1.00 4.05 C ATOM 512 O ALA B 1 21.054 -5.605 -6.851 1.00 10.44 O ATOM 513 CB ALA B 1 20.529 -2.611 -5.406 1.00 61.02 C ATOM 0 H1 ALA B 1 22.584 -3.165 -3.713 1.00 51.31 H new ATOM 0 H2 ALA B 1 23.370 -4.248 -4.758 1.00 51.31 H new ATOM 0 H3 ALA B 1 23.089 -2.647 -5.249 1.00 51.31 H new ATOM 0 HA ALA B 1 20.918 -4.541 -4.594 1.00 53.55 H new ATOM 0 HB1 ALA B 1 19.566 -2.908 -5.822 1.00 61.02 H new ATOM 0 HB2 ALA B 1 20.376 -2.155 -4.428 1.00 61.02 H new ATOM 0 HB3 ALA B 1 21.006 -1.891 -6.071 1.00 61.02 H new ATOM 519 N ASN B 2 22.511 -3.968 -7.410 1.00 14.04 N ATOM 520 CA ASN B 2 22.822 -4.536 -8.711 1.00 33.31 C ATOM 521 C ASN B 2 21.526 -4.990 -9.387 1.00 23.14 C ATOM 522 O ASN B 2 21.001 -6.059 -9.078 1.00 64.05 O ATOM 523 CB ASN B 2 23.736 -5.755 -8.574 1.00 72.32 C ATOM 524 CG ASN B 2 23.304 -6.636 -7.400 1.00 73.31 C ATOM 525 OD1 ASN B 2 22.525 -7.564 -7.540 1.00 34.30 O ATOM 526 ND2 ASN B 2 23.853 -6.295 -6.238 1.00 22.50 N ATOM 0 H ASN B 2 23.004 -3.101 -7.194 1.00 14.04 H new ATOM 0 HA ASN B 2 23.326 -3.771 -9.302 1.00 33.31 H new ATOM 0 HB2 ASN B 2 23.714 -6.336 -9.496 1.00 72.32 H new ATOM 0 HB3 ASN B 2 24.765 -5.427 -8.428 1.00 72.32 H new ATOM 0 HD21 ASN B 2 23.629 -6.822 -5.394 1.00 22.50 H new ATOM 0 HD22 ASN B 2 24.498 -5.506 -6.191 1.00 22.50 H new ATOM 533 N GLU B 3 21.048 -4.154 -10.297 1.00 33.31 N ATOM 534 CA GLU B 3 19.823 -4.455 -11.020 1.00 24.34 C ATOM 535 C GLU B 3 19.698 -5.965 -11.245 1.00 14.42 C ATOM 536 O GLU B 3 20.703 -6.664 -11.360 1.00 11.30 O ATOM 537 CB GLU B 3 19.769 -3.697 -12.346 1.00 41.13 C ATOM 538 CG GLU B 3 19.777 -2.185 -12.115 1.00 3.30 C ATOM 539 CD GLU B 3 19.530 -1.428 -13.421 1.00 54.02 C ATOM 540 OE1 GLU B 3 18.590 -1.757 -14.159 1.00 50.44 O ATOM 541 OE2 GLU B 3 20.356 -0.466 -13.659 1.00 35.31 O ATOM 0 H GLU B 3 21.486 -3.269 -10.550 1.00 33.31 H new ATOM 0 HA GLU B 3 18.977 -4.125 -10.417 1.00 24.34 H new ATOM 0 HB2 GLU B 3 20.621 -3.978 -12.965 1.00 41.13 H new ATOM 0 HB3 GLU B 3 18.870 -3.980 -12.894 1.00 41.13 H new ATOM 0 HG2 GLU B 3 19.010 -1.921 -11.387 1.00 3.30 H new ATOM 0 HG3 GLU B 3 20.735 -1.884 -11.692 1.00 3.30 H new ATOM 548 N GLY B 4 18.456 -6.420 -11.300 1.00 35.31 N ATOM 549 CA GLY B 4 18.186 -7.833 -11.509 1.00 54.14 C ATOM 550 C GLY B 4 18.290 -8.611 -10.197 1.00 2.22 C ATOM 551 O GLY B 4 18.639 -9.791 -10.197 1.00 1.11 O ATOM 0 H GLY B 4 17.625 -5.836 -11.204 1.00 35.31 H new ATOM 0 HA2 GLY B 4 17.189 -7.958 -11.932 1.00 54.14 H new ATOM 0 HA3 GLY B 4 18.892 -8.239 -12.233 1.00 54.14 H new ATOM 555 N ASP B 5 17.982 -7.920 -9.109 1.00 54.21 N ATOM 556 CA ASP B 5 18.038 -8.532 -7.792 1.00 40.45 C ATOM 557 C ASP B 5 16.684 -8.365 -7.100 1.00 52.31 C ATOM 558 O ASP B 5 15.823 -7.628 -7.580 1.00 61.52 O ATOM 559 CB ASP B 5 19.101 -7.863 -6.919 1.00 0.01 C ATOM 560 CG ASP B 5 20.362 -8.698 -6.683 1.00 54.21 C ATOM 561 OD1 ASP B 5 20.714 -9.446 -7.673 1.00 40.23 O ATOM 562 OD2 ASP B 5 20.977 -8.635 -5.608 1.00 34.34 O ATOM 0 H ASP B 5 17.693 -6.942 -9.113 1.00 54.21 H new ATOM 0 HA ASP B 5 18.287 -9.586 -7.919 1.00 40.45 H new ATOM 0 HB2 ASP B 5 19.389 -6.920 -7.382 1.00 0.01 H new ATOM 0 HB3 ASP B 5 18.657 -7.621 -5.953 1.00 0.01 H new ATOM 567 N VAL B 6 16.537 -9.062 -5.983 1.00 53.51 N ATOM 568 CA VAL B 6 15.301 -9.000 -5.219 1.00 65.11 C ATOM 569 C VAL B 6 15.632 -8.800 -3.739 1.00 74.40 C ATOM 570 O VAL B 6 16.646 -9.298 -3.253 1.00 63.20 O ATOM 571 CB VAL B 6 14.462 -10.251 -5.481 1.00 11.10 C ATOM 572 CG1 VAL B 6 13.600 -10.598 -4.265 1.00 52.54 C ATOM 573 CG2 VAL B 6 13.599 -10.080 -6.733 1.00 62.12 C ATOM 0 H VAL B 6 17.252 -9.672 -5.588 1.00 53.51 H new ATOM 0 HA VAL B 6 14.698 -8.149 -5.535 1.00 65.11 H new ATOM 0 HB VAL B 6 15.146 -11.082 -5.656 1.00 11.10 H new ATOM 0 HG11 VAL B 6 13.013 -11.492 -4.478 1.00 52.54 H new ATOM 0 HG12 VAL B 6 14.243 -10.783 -3.404 1.00 52.54 H new ATOM 0 HG13 VAL B 6 12.929 -9.767 -4.046 1.00 52.54 H new ATOM 0 HG21 VAL B 6 13.012 -10.984 -6.897 1.00 62.12 H new ATOM 0 HG22 VAL B 6 12.928 -9.231 -6.599 1.00 62.12 H new ATOM 0 HG23 VAL B 6 14.241 -9.903 -7.596 1.00 62.12 H new ATOM 583 N TYR B 7 14.755 -8.072 -3.063 1.00 2.14 N ATOM 584 CA TYR B 7 14.942 -7.800 -1.648 1.00 35.31 C ATOM 585 C TYR B 7 13.688 -8.165 -0.850 1.00 72.51 C ATOM 586 O TYR B 7 12.608 -7.637 -1.108 1.00 10.05 O ATOM 587 CB TYR B 7 15.182 -6.295 -1.535 1.00 2.52 C ATOM 588 CG TYR B 7 16.644 -5.881 -1.718 1.00 74.04 C ATOM 589 CD1 TYR B 7 17.519 -5.952 -0.653 1.00 24.22 C ATOM 590 CD2 TYR B 7 17.087 -5.439 -2.947 1.00 52.34 C ATOM 591 CE1 TYR B 7 18.895 -5.564 -0.826 1.00 30.21 C ATOM 592 CE2 TYR B 7 18.464 -5.051 -3.120 1.00 15.24 C ATOM 593 CZ TYR B 7 19.299 -5.133 -2.051 1.00 22.15 C ATOM 594 OH TYR B 7 20.599 -4.766 -2.213 1.00 32.33 O ATOM 0 H TYR B 7 13.914 -7.662 -3.469 1.00 2.14 H new ATOM 0 HA TYR B 7 15.771 -8.386 -1.251 1.00 35.31 H new ATOM 0 HB2 TYR B 7 14.574 -5.784 -2.282 1.00 2.52 H new ATOM 0 HB3 TYR B 7 14.839 -5.955 -0.558 1.00 2.52 H new ATOM 0 HD1 TYR B 7 17.172 -6.298 0.309 1.00 24.22 H new ATOM 0 HD2 TYR B 7 16.402 -5.384 -3.780 1.00 52.34 H new ATOM 0 HE1 TYR B 7 19.591 -5.614 -0.001 1.00 30.21 H new ATOM 0 HE2 TYR B 7 18.824 -4.703 -4.077 1.00 15.24 H new ATOM 0 HH TYR B 7 21.163 -5.282 -1.600 1.00 32.33 H new ATOM 604 N LYS B 8 13.874 -9.068 0.103 1.00 72.03 N ATOM 605 CA LYS B 8 12.771 -9.511 0.940 1.00 41.23 C ATOM 606 C LYS B 8 13.024 -9.071 2.383 1.00 22.50 C ATOM 607 O LYS B 8 14.093 -9.329 2.935 1.00 50.32 O ATOM 608 CB LYS B 8 12.552 -11.016 0.784 1.00 33.40 C ATOM 609 CG LYS B 8 11.403 -11.497 1.672 1.00 35.54 C ATOM 610 CD LYS B 8 11.933 -12.249 2.896 1.00 13.32 C ATOM 611 CE LYS B 8 11.587 -13.737 2.818 1.00 42.41 C ATOM 612 NZ LYS B 8 10.138 -13.944 3.035 1.00 12.12 N ATOM 0 H LYS B 8 14.771 -9.504 0.314 1.00 72.03 H new ATOM 0 HA LYS B 8 11.839 -9.043 0.623 1.00 41.23 H new ATOM 0 HB2 LYS B 8 12.333 -11.249 -0.258 1.00 33.40 H new ATOM 0 HB3 LYS B 8 13.466 -11.549 1.045 1.00 33.40 H new ATOM 0 HG2 LYS B 8 10.807 -10.644 1.995 1.00 35.54 H new ATOM 0 HG3 LYS B 8 10.743 -12.148 1.098 1.00 35.54 H new ATOM 0 HD2 LYS B 8 13.014 -12.126 2.962 1.00 13.32 H new ATOM 0 HD3 LYS B 8 11.507 -11.820 3.803 1.00 13.32 H new ATOM 0 HE2 LYS B 8 11.875 -14.133 1.844 1.00 42.41 H new ATOM 0 HE3 LYS B 8 12.155 -14.288 3.567 1.00 42.41 H new ATOM 0 HZ1 LYS B 8 9.957 -14.949 3.232 1.00 12.12 H new ATOM 0 HZ2 LYS B 8 9.823 -13.370 3.843 1.00 12.12 H new ATOM 0 HZ3 LYS B 8 9.615 -13.658 2.183 1.00 12.12 H new ATOM 625 N CYS B 9 12.023 -8.418 2.953 1.00 1.30 N ATOM 626 CA CYS B 9 12.124 -7.941 4.322 1.00 3.41 C ATOM 627 C CYS B 9 12.032 -9.147 5.259 1.00 35.12 C ATOM 628 O CYS B 9 11.207 -10.036 5.052 1.00 63.44 O ATOM 629 CB CYS B 9 11.055 -6.892 4.635 1.00 4.33 C ATOM 630 SG CYS B 9 11.109 -6.228 6.341 1.00 12.52 S ATOM 0 H CYS B 9 11.138 -8.208 2.492 1.00 1.30 H new ATOM 0 HA CYS B 9 13.082 -7.442 4.467 1.00 3.41 H new ATOM 0 HB2 CYS B 9 11.162 -6.064 3.934 1.00 4.33 H new ATOM 0 HB3 CYS B 9 10.073 -7.331 4.462 1.00 4.33 H new ATOM 635 N GLU B 10 12.888 -9.137 6.270 1.00 72.45 N ATOM 636 CA GLU B 10 12.913 -10.220 7.239 1.00 10.22 C ATOM 637 C GLU B 10 11.992 -9.898 8.417 1.00 0.12 C ATOM 638 O GLU B 10 12.276 -10.277 9.553 1.00 34.22 O ATOM 639 CB GLU B 10 14.340 -10.494 7.718 1.00 64.14 C ATOM 640 CG GLU B 10 15.013 -11.562 6.853 1.00 75.11 C ATOM 641 CD GLU B 10 14.944 -12.935 7.525 1.00 3.34 C ATOM 642 OE1 GLU B 10 15.350 -13.076 8.689 1.00 44.41 O ATOM 643 OE2 GLU B 10 14.448 -13.876 6.796 1.00 3.14 O ATOM 0 H GLU B 10 13.569 -8.397 6.439 1.00 72.45 H new ATOM 0 HA GLU B 10 12.548 -11.125 6.754 1.00 10.22 H new ATOM 0 HB2 GLU B 10 14.922 -9.573 7.684 1.00 64.14 H new ATOM 0 HB3 GLU B 10 14.322 -10.821 8.758 1.00 64.14 H new ATOM 0 HG2 GLU B 10 14.527 -11.605 5.878 1.00 75.11 H new ATOM 0 HG3 GLU B 10 16.054 -11.291 6.678 1.00 75.11 H new ATOM 650 N LEU B 11 10.908 -9.203 8.108 1.00 70.14 N ATOM 651 CA LEU B 11 9.943 -8.826 9.126 1.00 43.01 C ATOM 652 C LEU B 11 8.528 -9.077 8.602 1.00 70.23 C ATOM 653 O LEU B 11 7.807 -9.920 9.131 1.00 34.02 O ATOM 654 CB LEU B 11 10.182 -7.386 9.584 1.00 63.01 C ATOM 655 CG LEU B 11 10.826 -7.218 10.962 1.00 62.03 C ATOM 656 CD1 LEU B 11 12.056 -6.312 10.886 1.00 55.41 C ATOM 657 CD2 LEU B 11 9.807 -6.716 11.986 1.00 75.52 C ATOM 0 H LEU B 11 10.676 -8.891 7.165 1.00 70.14 H new ATOM 0 HA LEU B 11 10.068 -9.444 10.015 1.00 43.01 H new ATOM 0 HB2 LEU B 11 10.814 -6.892 8.847 1.00 63.01 H new ATOM 0 HB3 LEU B 11 9.226 -6.863 9.586 1.00 63.01 H new ATOM 0 HG LEU B 11 11.167 -8.196 11.301 1.00 62.03 H new ATOM 0 HD11 LEU B 11 12.494 -6.209 11.879 1.00 55.41 H new ATOM 0 HD12 LEU B 11 12.789 -6.750 10.209 1.00 55.41 H new ATOM 0 HD13 LEU B 11 11.762 -5.330 10.516 1.00 55.41 H new ATOM 0 HD21 LEU B 11 10.291 -6.605 12.956 1.00 75.52 H new ATOM 0 HD22 LEU B 11 9.413 -5.752 11.665 1.00 75.52 H new ATOM 0 HD23 LEU B 11 8.990 -7.433 12.068 1.00 75.52 H new ATOM 669 N CYS B 12 8.174 -8.330 7.566 1.00 43.21 N ATOM 670 CA CYS B 12 6.859 -8.461 6.963 1.00 75.22 C ATOM 671 C CYS B 12 6.960 -9.447 5.797 1.00 1.31 C ATOM 672 O CYS B 12 6.107 -10.320 5.642 1.00 51.41 O ATOM 673 CB CYS B 12 6.302 -7.107 6.519 1.00 44.31 C ATOM 674 SG CYS B 12 7.460 -6.088 5.534 1.00 20.00 S ATOM 0 H CYS B 12 8.776 -7.632 7.129 1.00 43.21 H new ATOM 0 HA CYS B 12 6.155 -8.845 7.701 1.00 75.22 H new ATOM 0 HB2 CYS B 12 5.399 -7.276 5.932 1.00 44.31 H new ATOM 0 HB3 CYS B 12 6.006 -6.543 7.404 1.00 44.31 H new ATOM 679 N GLY B 13 8.011 -9.275 5.009 1.00 64.30 N ATOM 680 CA GLY B 13 8.235 -10.138 3.862 1.00 21.31 C ATOM 681 C GLY B 13 8.163 -9.345 2.556 1.00 73.54 C ATOM 682 O GLY B 13 8.019 -9.924 1.480 1.00 31.42 O ATOM 0 H GLY B 13 8.717 -8.551 5.142 1.00 64.30 H new ATOM 0 HA2 GLY B 13 9.211 -10.616 3.948 1.00 21.31 H new ATOM 0 HA3 GLY B 13 7.490 -10.933 3.850 1.00 21.31 H new ATOM 686 N GLN B 14 8.266 -8.031 2.692 1.00 10.14 N ATOM 687 CA GLN B 14 8.214 -7.152 1.537 1.00 52.04 C ATOM 688 C GLN B 14 9.247 -7.586 0.493 1.00 13.25 C ATOM 689 O GLN B 14 10.447 -7.401 0.690 1.00 62.40 O ATOM 690 CB GLN B 14 8.427 -5.694 1.946 1.00 3.02 C ATOM 691 CG GLN B 14 8.505 -4.785 0.719 1.00 42.32 C ATOM 692 CD GLN B 14 7.382 -3.746 0.733 1.00 20.02 C ATOM 693 OE1 GLN B 14 6.608 -3.618 -0.201 1.00 42.44 O ATOM 694 NE2 GLN B 14 7.335 -3.016 1.843 1.00 40.21 N ATOM 0 H GLN B 14 8.385 -7.554 3.586 1.00 10.14 H new ATOM 0 HA GLN B 14 7.222 -7.228 1.092 1.00 52.04 H new ATOM 0 HB2 GLN B 14 7.610 -5.371 2.591 1.00 3.02 H new ATOM 0 HB3 GLN B 14 9.345 -5.606 2.527 1.00 3.02 H new ATOM 0 HG2 GLN B 14 9.471 -4.281 0.696 1.00 42.32 H new ATOM 0 HG3 GLN B 14 8.438 -5.386 -0.188 1.00 42.32 H new ATOM 0 HE21 GLN B 14 8.014 -3.175 2.587 1.00 40.21 H new ATOM 0 HE22 GLN B 14 6.620 -2.297 1.951 1.00 40.21 H new ATOM 703 N VAL B 15 8.742 -8.152 -0.593 1.00 14.20 N ATOM 704 CA VAL B 15 9.605 -8.613 -1.666 1.00 42.52 C ATOM 705 C VAL B 15 9.514 -7.637 -2.842 1.00 61.13 C ATOM 706 O VAL B 15 8.480 -7.552 -3.504 1.00 44.53 O ATOM 707 CB VAL B 15 9.241 -10.047 -2.051 1.00 25.51 C ATOM 708 CG1 VAL B 15 9.998 -10.487 -3.306 1.00 22.41 C ATOM 709 CG2 VAL B 15 9.500 -11.009 -0.889 1.00 22.12 C ATOM 0 H VAL B 15 7.746 -8.302 -0.753 1.00 14.20 H new ATOM 0 HA VAL B 15 10.644 -8.633 -1.338 1.00 42.52 H new ATOM 0 HB VAL B 15 8.175 -10.073 -2.277 1.00 25.51 H new ATOM 0 HG11 VAL B 15 9.721 -11.511 -3.558 1.00 22.41 H new ATOM 0 HG12 VAL B 15 9.742 -9.827 -4.135 1.00 22.41 H new ATOM 0 HG13 VAL B 15 11.071 -10.437 -3.120 1.00 22.41 H new ATOM 0 HG21 VAL B 15 9.233 -12.022 -1.189 1.00 22.12 H new ATOM 0 HG22 VAL B 15 10.555 -10.977 -0.618 1.00 22.12 H new ATOM 0 HG23 VAL B 15 8.896 -10.714 -0.031 1.00 22.12 H new ATOM 719 N VAL B 16 10.610 -6.927 -3.066 1.00 15.42 N ATOM 720 CA VAL B 16 10.666 -5.960 -4.150 1.00 73.24 C ATOM 721 C VAL B 16 11.856 -6.286 -5.056 1.00 71.13 C ATOM 722 O VAL B 16 12.895 -6.743 -4.582 1.00 13.01 O ATOM 723 CB VAL B 16 10.717 -4.541 -3.583 1.00 45.35 C ATOM 724 CG1 VAL B 16 9.698 -4.362 -2.457 1.00 22.32 C ATOM 725 CG2 VAL B 16 12.129 -4.191 -3.107 1.00 51.11 C ATOM 0 H VAL B 16 11.466 -7.002 -2.516 1.00 15.42 H new ATOM 0 HA VAL B 16 9.766 -6.018 -4.762 1.00 73.24 H new ATOM 0 HB VAL B 16 10.453 -3.851 -4.384 1.00 45.35 H new ATOM 0 HG11 VAL B 16 9.756 -3.344 -2.072 1.00 22.32 H new ATOM 0 HG12 VAL B 16 8.695 -4.548 -2.841 1.00 22.32 H new ATOM 0 HG13 VAL B 16 9.916 -5.066 -1.654 1.00 22.32 H new ATOM 0 HG21 VAL B 16 12.138 -3.177 -2.708 1.00 51.11 H new ATOM 0 HG22 VAL B 16 12.434 -4.890 -2.328 1.00 51.11 H new ATOM 0 HG23 VAL B 16 12.822 -4.257 -3.945 1.00 51.11 H new ATOM 735 N LYS B 17 11.663 -6.038 -6.343 1.00 21.21 N ATOM 736 CA LYS B 17 12.708 -6.300 -7.320 1.00 55.30 C ATOM 737 C LYS B 17 13.386 -4.982 -7.699 1.00 0.50 C ATOM 738 O LYS B 17 12.725 -4.042 -8.136 1.00 34.03 O ATOM 739 CB LYS B 17 12.142 -7.067 -8.516 1.00 41.53 C ATOM 740 CG LYS B 17 13.238 -7.375 -9.538 1.00 51.24 C ATOM 741 CD LYS B 17 13.361 -6.249 -10.567 1.00 65.10 C ATOM 742 CE LYS B 17 14.486 -6.538 -11.563 1.00 44.41 C ATOM 743 NZ LYS B 17 13.927 -6.967 -12.865 1.00 40.51 N ATOM 0 H LYS B 17 10.800 -5.659 -6.732 1.00 21.21 H new ATOM 0 HA LYS B 17 13.477 -6.944 -6.893 1.00 55.30 H new ATOM 0 HB2 LYS B 17 11.687 -7.997 -8.174 1.00 41.53 H new ATOM 0 HB3 LYS B 17 11.354 -6.481 -8.988 1.00 41.53 H new ATOM 0 HG2 LYS B 17 14.191 -7.510 -9.025 1.00 51.24 H new ATOM 0 HG3 LYS B 17 13.014 -8.313 -10.045 1.00 51.24 H new ATOM 0 HD2 LYS B 17 12.418 -6.135 -11.101 1.00 65.10 H new ATOM 0 HD3 LYS B 17 13.555 -5.305 -10.057 1.00 65.10 H new ATOM 0 HE2 LYS B 17 15.098 -5.646 -11.699 1.00 44.41 H new ATOM 0 HE3 LYS B 17 15.140 -7.315 -11.167 1.00 44.41 H new ATOM 0 HZ1 LYS B 17 14.703 -7.159 -13.530 1.00 40.51 H new ATOM 0 HZ2 LYS B 17 13.363 -7.830 -12.733 1.00 40.51 H new ATOM 0 HZ3 LYS B 17 13.322 -6.213 -13.248 1.00 40.51 H new ATOM 756 N VAL B 18 14.699 -4.956 -7.518 1.00 13.35 N ATOM 757 CA VAL B 18 15.474 -3.768 -7.835 1.00 24.41 C ATOM 758 C VAL B 18 15.464 -3.548 -9.349 1.00 52.44 C ATOM 759 O VAL B 18 15.963 -4.380 -10.105 1.00 13.13 O ATOM 760 CB VAL B 18 16.886 -3.897 -7.260 1.00 20.33 C ATOM 761 CG1 VAL B 18 17.726 -2.660 -7.587 1.00 74.30 C ATOM 762 CG2 VAL B 18 16.843 -4.147 -5.751 1.00 33.11 C ATOM 0 H VAL B 18 15.245 -5.738 -7.156 1.00 13.35 H new ATOM 0 HA VAL B 18 15.028 -2.886 -7.375 1.00 24.41 H new ATOM 0 HB VAL B 18 17.361 -4.759 -7.729 1.00 20.33 H new ATOM 0 HG11 VAL B 18 18.725 -2.777 -7.167 1.00 74.30 H new ATOM 0 HG12 VAL B 18 17.798 -2.545 -8.668 1.00 74.30 H new ATOM 0 HG13 VAL B 18 17.254 -1.776 -7.159 1.00 74.30 H new ATOM 0 HG21 VAL B 18 17.860 -4.235 -5.368 1.00 33.11 H new ATOM 0 HG22 VAL B 18 16.340 -3.315 -5.259 1.00 33.11 H new ATOM 0 HG23 VAL B 18 16.299 -5.070 -5.550 1.00 33.11 H new ATOM 772 N LEU B 19 14.889 -2.422 -9.746 1.00 1.30 N ATOM 773 CA LEU B 19 14.806 -2.082 -11.157 1.00 1.44 C ATOM 774 C LEU B 19 16.096 -1.378 -11.583 1.00 43.01 C ATOM 775 O LEU B 19 16.746 -1.793 -12.541 1.00 44.24 O ATOM 776 CB LEU B 19 13.541 -1.269 -11.438 1.00 54.33 C ATOM 777 CG LEU B 19 12.341 -2.057 -11.968 1.00 22.22 C ATOM 778 CD1 LEU B 19 12.324 -2.069 -13.498 1.00 5.43 C ATOM 779 CD2 LEU B 19 12.314 -3.471 -11.384 1.00 64.35 C ATOM 0 H LEU B 19 14.476 -1.734 -9.116 1.00 1.30 H new ATOM 0 HA LEU B 19 14.719 -2.984 -11.762 1.00 1.44 H new ATOM 0 HB2 LEU B 19 13.243 -0.768 -10.517 1.00 54.33 H new ATOM 0 HB3 LEU B 19 13.786 -0.490 -12.160 1.00 54.33 H new ATOM 0 HG LEU B 19 11.431 -1.555 -11.640 1.00 22.22 H new ATOM 0 HD11 LEU B 19 11.461 -2.636 -13.848 1.00 5.43 H new ATOM 0 HD12 LEU B 19 12.261 -1.046 -13.869 1.00 5.43 H new ATOM 0 HD13 LEU B 19 13.238 -2.534 -13.868 1.00 5.43 H new ATOM 0 HD21 LEU B 19 11.452 -4.010 -11.776 1.00 64.35 H new ATOM 0 HD22 LEU B 19 13.228 -3.997 -11.661 1.00 64.35 H new ATOM 0 HD23 LEU B 19 12.243 -3.415 -10.298 1.00 64.35 H new ATOM 791 N GLU B 20 16.428 -0.324 -10.851 1.00 24.42 N ATOM 792 CA GLU B 20 17.629 0.440 -11.141 1.00 40.31 C ATOM 793 C GLU B 20 18.438 0.664 -9.862 1.00 11.11 C ATOM 794 O GLU B 20 17.960 1.301 -8.923 1.00 73.43 O ATOM 795 CB GLU B 20 17.282 1.772 -11.810 1.00 31.13 C ATOM 796 CG GLU B 20 17.585 2.949 -10.880 1.00 62.54 C ATOM 797 CD GLU B 20 17.346 4.283 -11.589 1.00 2.11 C ATOM 798 OE1 GLU B 20 16.246 4.520 -12.109 1.00 13.33 O ATOM 799 OE2 GLU B 20 18.353 5.089 -11.587 1.00 1.43 O ATOM 0 H GLU B 20 15.886 0.018 -10.058 1.00 24.42 H new ATOM 0 HA GLU B 20 18.241 -0.132 -11.839 1.00 40.31 H new ATOM 0 HB2 GLU B 20 17.851 1.878 -12.734 1.00 31.13 H new ATOM 0 HB3 GLU B 20 16.227 1.782 -12.083 1.00 31.13 H new ATOM 0 HG2 GLU B 20 16.956 2.887 -9.992 1.00 62.54 H new ATOM 0 HG3 GLU B 20 18.620 2.893 -10.542 1.00 62.54 H new ATOM 806 N GLU B 21 19.650 0.129 -9.865 1.00 52.12 N ATOM 807 CA GLU B 21 20.530 0.262 -8.717 1.00 12.33 C ATOM 808 C GLU B 21 20.776 1.739 -8.405 1.00 31.02 C ATOM 809 O GLU B 21 20.662 2.590 -9.285 1.00 2.42 O ATOM 810 CB GLU B 21 21.850 -0.476 -8.948 1.00 61.32 C ATOM 811 CG GLU B 21 22.684 -0.524 -7.666 1.00 75.35 C ATOM 812 CD GLU B 21 24.055 -1.151 -7.928 1.00 31.32 C ATOM 813 OE1 GLU B 21 24.262 -1.775 -8.979 1.00 75.24 O ATOM 814 OE2 GLU B 21 24.924 -0.971 -6.992 1.00 11.40 O ATOM 0 H GLU B 21 20.043 -0.398 -10.645 1.00 52.12 H new ATOM 0 HA GLU B 21 20.042 -0.195 -7.856 1.00 12.33 H new ATOM 0 HB2 GLU B 21 21.648 -1.490 -9.293 1.00 61.32 H new ATOM 0 HB3 GLU B 21 22.416 0.022 -9.736 1.00 61.32 H new ATOM 0 HG2 GLU B 21 22.810 0.484 -7.272 1.00 75.35 H new ATOM 0 HG3 GLU B 21 22.156 -1.099 -6.906 1.00 75.35 H new ATOM 821 N GLY B 22 21.107 1.999 -7.148 1.00 23.21 N ATOM 822 CA GLY B 22 21.370 3.359 -6.710 1.00 3.43 C ATOM 823 C GLY B 22 22.571 3.407 -5.761 1.00 71.20 C ATOM 824 O GLY B 22 23.607 2.804 -6.035 1.00 41.44 O ATOM 0 H GLY B 22 21.199 1.291 -6.420 1.00 23.21 H new ATOM 0 HA2 GLY B 22 21.560 3.993 -7.576 1.00 3.43 H new ATOM 0 HA3 GLY B 22 20.489 3.760 -6.208 1.00 3.43 H new ATOM 828 N GLY B 23 22.390 4.130 -4.666 1.00 21.21 N ATOM 829 CA GLY B 23 23.445 4.265 -3.675 1.00 74.34 C ATOM 830 C GLY B 23 22.864 4.322 -2.261 1.00 24.04 C ATOM 831 O GLY B 23 23.202 5.214 -1.483 1.00 70.22 O ATOM 0 H GLY B 23 21.529 4.629 -4.443 1.00 21.21 H new ATOM 0 HA2 GLY B 23 24.134 3.424 -3.755 1.00 74.34 H new ATOM 0 HA3 GLY B 23 24.021 5.169 -3.872 1.00 74.34 H new ATOM 835 N GLY B 24 22.003 3.359 -1.970 1.00 14.14 N ATOM 836 CA GLY B 24 21.372 3.289 -0.662 1.00 21.00 C ATOM 837 C GLY B 24 20.799 1.895 -0.404 1.00 22.52 C ATOM 838 O GLY B 24 20.986 0.983 -1.209 1.00 51.41 O ATOM 0 H GLY B 24 21.727 2.620 -2.617 1.00 14.14 H new ATOM 0 HA2 GLY B 24 22.100 3.535 0.111 1.00 21.00 H new ATOM 0 HA3 GLY B 24 20.576 4.031 -0.598 1.00 21.00 H new ATOM 842 N THR B 25 20.114 1.770 0.723 1.00 75.13 N ATOM 843 CA THR B 25 19.512 0.502 1.098 1.00 41.03 C ATOM 844 C THR B 25 18.016 0.678 1.362 1.00 42.41 C ATOM 845 O THR B 25 17.535 1.802 1.507 1.00 24.41 O ATOM 846 CB THR B 25 20.281 -0.050 2.300 1.00 2.22 C ATOM 847 OG1 THR B 25 21.562 -0.380 1.771 1.00 61.20 O ATOM 848 CG2 THR B 25 19.722 -1.387 2.790 1.00 45.22 C ATOM 0 H THR B 25 19.962 2.527 1.389 1.00 75.13 H new ATOM 0 HA THR B 25 19.583 -0.224 0.288 1.00 41.03 H new ATOM 0 HB THR B 25 20.251 0.675 3.114 1.00 2.22 H new ATOM 0 HG1 THR B 25 22.127 -0.744 2.484 1.00 61.20 H new ATOM 0 HG21 THR B 25 20.304 -1.734 3.644 1.00 45.22 H new ATOM 0 HG22 THR B 25 18.681 -1.259 3.088 1.00 45.22 H new ATOM 0 HG23 THR B 25 19.782 -2.122 1.988 1.00 45.22 H new ATOM 856 N LEU B 26 17.320 -0.448 1.418 1.00 25.14 N ATOM 857 CA LEU B 26 15.888 -0.432 1.664 1.00 41.32 C ATOM 858 C LEU B 26 15.613 -0.915 3.089 1.00 40.00 C ATOM 859 O LEU B 26 15.283 -2.080 3.301 1.00 71.54 O ATOM 860 CB LEU B 26 15.152 -1.235 0.590 1.00 72.11 C ATOM 861 CG LEU B 26 15.737 -1.161 -0.822 1.00 63.54 C ATOM 862 CD1 LEU B 26 15.316 -2.374 -1.654 1.00 74.23 C ATOM 863 CD2 LEU B 26 15.364 0.158 -1.502 1.00 22.24 C ATOM 0 H LEU B 26 17.721 -1.378 1.297 1.00 25.14 H new ATOM 0 HA LEU B 26 15.501 0.584 1.592 1.00 41.32 H new ATOM 0 HB2 LEU B 26 15.129 -2.280 0.898 1.00 72.11 H new ATOM 0 HB3 LEU B 26 14.118 -0.891 0.552 1.00 72.11 H new ATOM 0 HG LEU B 26 16.824 -1.186 -0.743 1.00 63.54 H new ATOM 0 HD11 LEU B 26 15.745 -2.297 -2.653 1.00 74.23 H new ATOM 0 HD12 LEU B 26 15.674 -3.286 -1.175 1.00 74.23 H new ATOM 0 HD13 LEU B 26 14.229 -2.405 -1.728 1.00 74.23 H new ATOM 0 HD21 LEU B 26 15.792 0.185 -2.504 1.00 22.24 H new ATOM 0 HD22 LEU B 26 14.279 0.239 -1.569 1.00 22.24 H new ATOM 0 HD23 LEU B 26 15.755 0.992 -0.918 1.00 22.24 H new ATOM 875 N VAL B 27 15.760 0.006 4.030 1.00 10.01 N ATOM 876 CA VAL B 27 15.532 -0.310 5.429 1.00 71.50 C ATOM 877 C VAL B 27 14.026 -0.386 5.692 1.00 30.35 C ATOM 878 O VAL B 27 13.347 0.638 5.730 1.00 3.33 O ATOM 879 CB VAL B 27 16.243 0.710 6.320 1.00 51.34 C ATOM 880 CG1 VAL B 27 15.899 0.485 7.794 1.00 4.20 C ATOM 881 CG2 VAL B 27 17.757 0.671 6.097 1.00 54.41 C ATOM 0 H VAL B 27 16.034 0.972 3.850 1.00 10.01 H new ATOM 0 HA VAL B 27 15.955 -1.285 5.673 1.00 71.50 H new ATOM 0 HB VAL B 27 15.889 1.703 6.042 1.00 51.34 H new ATOM 0 HG11 VAL B 27 16.418 1.223 8.405 1.00 4.20 H new ATOM 0 HG12 VAL B 27 14.823 0.587 7.936 1.00 4.20 H new ATOM 0 HG13 VAL B 27 16.211 -0.516 8.092 1.00 4.20 H new ATOM 0 HG21 VAL B 27 18.239 1.406 6.742 1.00 54.41 H new ATOM 0 HG22 VAL B 27 18.134 -0.324 6.335 1.00 54.41 H new ATOM 0 HG23 VAL B 27 17.977 0.903 5.055 1.00 54.41 H new ATOM 891 N CYS B 28 13.549 -1.610 5.867 1.00 41.45 N ATOM 892 CA CYS B 28 12.136 -1.832 6.124 1.00 24.41 C ATOM 893 C CYS B 28 11.999 -2.530 7.479 1.00 64.24 C ATOM 894 O CYS B 28 12.726 -3.479 7.769 1.00 64.14 O ATOM 895 CB CYS B 28 11.476 -2.633 5.000 1.00 72.42 C ATOM 896 SG CYS B 28 9.649 -2.712 5.085 1.00 25.20 S ATOM 0 H CYS B 28 14.116 -2.458 5.836 1.00 41.45 H new ATOM 0 HA CYS B 28 11.614 -0.876 6.154 1.00 24.41 H new ATOM 0 HB2 CYS B 28 11.763 -2.195 4.044 1.00 72.42 H new ATOM 0 HB3 CYS B 28 11.871 -3.649 5.016 1.00 72.42 H new ATOM 901 N CYS B 29 11.062 -2.034 8.272 1.00 1.41 N ATOM 902 CA CYS B 29 10.820 -2.598 9.589 1.00 41.30 C ATOM 903 C CYS B 29 12.089 -2.424 10.426 1.00 31.34 C ATOM 904 O CYS B 29 12.391 -3.256 11.280 1.00 4.14 O ATOM 905 CB CYS B 29 10.386 -4.062 9.507 1.00 44.34 C ATOM 906 SG CYS B 29 8.655 -4.321 8.973 1.00 13.14 S ATOM 0 H CYS B 29 10.461 -1.247 8.028 1.00 1.41 H new ATOM 0 HA CYS B 29 9.995 -2.070 10.068 1.00 41.30 H new ATOM 0 HB2 CYS B 29 11.047 -4.584 8.815 1.00 44.34 H new ATOM 0 HB3 CYS B 29 10.522 -4.522 10.486 1.00 44.34 H new ATOM 911 N GLY B 30 12.797 -1.339 10.151 1.00 24.01 N ATOM 912 CA GLY B 30 14.027 -1.046 10.867 1.00 20.42 C ATOM 913 C GLY B 30 15.086 -2.119 10.602 1.00 52.43 C ATOM 914 O GLY B 30 15.987 -2.321 11.414 1.00 71.45 O ATOM 0 H GLY B 30 12.542 -0.652 9.442 1.00 24.01 H new ATOM 0 HA2 GLY B 30 14.407 -0.072 10.560 1.00 20.42 H new ATOM 0 HA3 GLY B 30 13.824 -0.987 11.936 1.00 20.42 H new ATOM 918 N GLU B 31 14.941 -2.777 9.460 1.00 22.02 N ATOM 919 CA GLU B 31 15.874 -3.823 9.077 1.00 50.10 C ATOM 920 C GLU B 31 16.153 -3.761 7.574 1.00 41.40 C ATOM 921 O GLU B 31 15.230 -3.815 6.764 1.00 32.53 O ATOM 922 CB GLU B 31 15.347 -5.202 9.479 1.00 35.22 C ATOM 923 CG GLU B 31 16.467 -6.244 9.461 1.00 35.54 C ATOM 924 CD GLU B 31 16.314 -7.234 10.618 1.00 13.11 C ATOM 925 OE1 GLU B 31 15.359 -8.026 10.635 1.00 2.21 O ATOM 926 OE2 GLU B 31 17.231 -7.161 11.522 1.00 33.34 O ATOM 0 H GLU B 31 14.192 -2.606 8.789 1.00 22.02 H new ATOM 0 HA GLU B 31 16.811 -3.659 9.609 1.00 50.10 H new ATOM 0 HB2 GLU B 31 14.909 -5.151 10.476 1.00 35.22 H new ATOM 0 HB3 GLU B 31 14.553 -5.505 8.797 1.00 35.22 H new ATOM 0 HG2 GLU B 31 16.453 -6.782 8.513 1.00 35.54 H new ATOM 0 HG3 GLU B 31 17.434 -5.745 9.530 1.00 35.54 H new ATOM 933 N ASP B 32 17.433 -3.646 7.247 1.00 12.42 N ATOM 934 CA ASP B 32 17.846 -3.574 5.855 1.00 32.24 C ATOM 935 C ASP B 32 17.406 -4.849 5.132 1.00 40.13 C ATOM 936 O ASP B 32 17.912 -5.934 5.415 1.00 11.33 O ATOM 937 CB ASP B 32 19.367 -3.464 5.738 1.00 23.32 C ATOM 938 CG ASP B 32 20.004 -2.360 6.584 1.00 13.13 C ATOM 939 OD1 ASP B 32 19.632 -2.154 7.749 1.00 72.11 O ATOM 940 OD2 ASP B 32 20.931 -1.686 5.993 1.00 72.01 O ATOM 0 H ASP B 32 18.197 -3.601 7.922 1.00 12.42 H new ATOM 0 HA ASP B 32 17.386 -2.692 5.410 1.00 32.24 H new ATOM 0 HB2 ASP B 32 19.808 -4.419 6.023 1.00 23.32 H new ATOM 0 HB3 ASP B 32 19.624 -3.294 4.693 1.00 23.32 H new ATOM 945 N MET B 33 16.469 -4.675 4.212 1.00 33.22 N ATOM 946 CA MET B 33 15.955 -5.798 3.445 1.00 1.34 C ATOM 947 C MET B 33 17.086 -6.740 3.029 1.00 64.55 C ATOM 948 O MET B 33 18.190 -6.293 2.722 1.00 65.14 O ATOM 949 CB MET B 33 15.238 -5.278 2.198 1.00 64.15 C ATOM 950 CG MET B 33 14.049 -6.171 1.837 1.00 31.41 C ATOM 951 SD MET B 33 12.851 -5.243 0.895 1.00 14.12 S ATOM 952 CE MET B 33 12.605 -3.854 1.990 1.00 65.52 C ATOM 0 H MET B 33 16.052 -3.774 3.980 1.00 33.22 H new ATOM 0 HA MET B 33 15.257 -6.353 4.071 1.00 1.34 H new ATOM 0 HB2 MET B 33 14.893 -4.259 2.371 1.00 64.15 H new ATOM 0 HB3 MET B 33 15.936 -5.240 1.362 1.00 64.15 H new ATOM 0 HG2 MET B 33 14.391 -7.030 1.260 1.00 31.41 H new ATOM 0 HG3 MET B 33 13.587 -6.560 2.745 1.00 31.41 H new ATOM 0 HE1 MET B 33 11.542 -3.622 2.050 1.00 65.52 H new ATOM 0 HE2 MET B 33 12.979 -4.103 2.983 1.00 65.52 H new ATOM 0 HE3 MET B 33 13.144 -2.988 1.606 1.00 65.52 H new ATOM 962 N VAL B 34 16.772 -8.027 3.032 1.00 22.32 N ATOM 963 CA VAL B 34 17.748 -9.037 2.659 1.00 64.05 C ATOM 964 C VAL B 34 17.612 -9.344 1.167 1.00 63.05 C ATOM 965 O VAL B 34 16.553 -9.131 0.579 1.00 11.03 O ATOM 966 CB VAL B 34 17.583 -10.276 3.541 1.00 64.40 C ATOM 967 CG1 VAL B 34 17.079 -9.894 4.935 1.00 54.14 C ATOM 968 CG2 VAL B 34 16.655 -11.298 2.884 1.00 74.33 C ATOM 0 H VAL B 34 15.855 -8.394 3.287 1.00 22.32 H new ATOM 0 HA VAL B 34 18.760 -8.669 2.825 1.00 64.05 H new ATOM 0 HB VAL B 34 18.563 -10.739 3.654 1.00 64.40 H new ATOM 0 HG11 VAL B 34 16.970 -10.793 5.542 1.00 54.14 H new ATOM 0 HG12 VAL B 34 17.794 -9.221 5.409 1.00 54.14 H new ATOM 0 HG13 VAL B 34 16.113 -9.396 4.849 1.00 54.14 H new ATOM 0 HG21 VAL B 34 16.555 -12.169 3.532 1.00 74.33 H new ATOM 0 HG22 VAL B 34 15.674 -10.850 2.725 1.00 74.33 H new ATOM 0 HG23 VAL B 34 17.073 -11.605 1.925 1.00 74.33 H new ATOM 978 N LYS B 35 18.701 -9.838 0.595 1.00 61.50 N ATOM 979 CA LYS B 35 18.716 -10.176 -0.818 1.00 61.41 C ATOM 980 C LYS B 35 18.225 -11.614 -0.999 1.00 23.31 C ATOM 981 O LYS B 35 18.483 -12.474 -0.158 1.00 3.32 O ATOM 982 CB LYS B 35 20.102 -9.920 -1.415 1.00 32.01 C ATOM 983 CG LYS B 35 20.052 -9.939 -2.944 1.00 75.41 C ATOM 984 CD LYS B 35 20.299 -11.350 -3.483 1.00 60.14 C ATOM 985 CE LYS B 35 20.112 -11.397 -5.001 1.00 4.13 C ATOM 986 NZ LYS B 35 21.424 -11.464 -5.683 1.00 43.34 N ATOM 0 H LYS B 35 19.579 -10.012 1.085 1.00 61.50 H new ATOM 0 HA LYS B 35 18.032 -9.533 -1.371 1.00 61.41 H new ATOM 0 HB2 LYS B 35 20.477 -8.956 -1.072 1.00 32.01 H new ATOM 0 HB3 LYS B 35 20.800 -10.678 -1.061 1.00 32.01 H new ATOM 0 HG2 LYS B 35 19.080 -9.581 -3.284 1.00 75.41 H new ATOM 0 HG3 LYS B 35 20.801 -9.256 -3.345 1.00 75.41 H new ATOM 0 HD2 LYS B 35 21.309 -11.669 -3.227 1.00 60.14 H new ATOM 0 HD3 LYS B 35 19.613 -12.051 -3.007 1.00 60.14 H new ATOM 0 HE2 LYS B 35 19.510 -12.264 -5.272 1.00 4.13 H new ATOM 0 HE3 LYS B 35 19.567 -10.514 -5.334 1.00 4.13 H new ATOM 0 HZ1 LYS B 35 21.351 -11.019 -6.620 1.00 43.34 H new ATOM 0 HZ2 LYS B 35 22.136 -10.962 -5.115 1.00 43.34 H new ATOM 0 HZ3 LYS B 35 21.707 -12.459 -5.794 1.00 43.34 H new ATOM 999 N GLN B 36 17.526 -11.833 -2.103 1.00 53.31 N ATOM 1000 CA GLN B 36 16.996 -13.151 -2.405 1.00 73.31 C ATOM 1001 C GLN B 36 17.707 -13.741 -3.625 1.00 54.03 C ATOM 1002 O GLN B 36 18.481 -14.688 -3.499 1.00 42.52 O ATOM 1003 CB GLN B 36 15.483 -13.098 -2.625 1.00 0.40 C ATOM 1004 CG GLN B 36 14.794 -12.319 -1.502 1.00 53.13 C ATOM 1005 CD GLN B 36 14.669 -13.173 -0.239 1.00 61.41 C ATOM 1006 OE1 GLN B 36 15.731 -13.114 0.561 1.00 65.34 O flip ATOM 1007 NE2 GLN B 36 13.675 -13.841 -0.005 1.00 73.11 N flip ATOM 0 H GLN B 36 17.314 -11.119 -2.800 1.00 53.31 H new ATOM 0 HA GLN B 36 17.182 -13.800 -1.550 1.00 73.31 H new ATOM 0 HB2 GLN B 36 15.267 -12.628 -3.584 1.00 0.40 H new ATOM 0 HB3 GLN B 36 15.082 -14.111 -2.669 1.00 0.40 H new ATOM 0 HG2 GLN B 36 15.362 -11.416 -1.280 1.00 53.13 H new ATOM 0 HG3 GLN B 36 13.804 -12.001 -1.830 1.00 53.13 H new ATOM 0 HE21 GLN B 36 12.895 -13.841 -0.662 1.00 73.11 H new ATOM 0 HE22 GLN B 36 13.625 -14.399 0.847 1.00 73.11 H new TER 1016 GLN B 36 HETATM 1017 CD CD A 37 18.815 6.037 -1.328 1.00 51.25 CD HETATM 1018 CD CD B 37 9.044 -4.660 6.549 1.00 12.13 CD