USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 560 hydrogens (30 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 10 ZAB HN2 : A 10 ZAB N : A 9 GLY C :(H bumps) USER MOD NoAdj-H: A 10 ZAB HN1 : A 10 ZAB N : A 9 GLY C :(H bumps) USER MOD NoAdj-H: B 110 ZAB HN2 : B 110 ZAB N : B 9 GLY C :(H bumps) USER MOD NoAdj-H: B 110 ZAB HN1 : B 110 ZAB N : B 9 GLY C :(H bumps) USER MOD Set 1.1: D 20 ASN : amide:sc= 0 K(o=1,f=-0.12) USER MOD Set 1.2: D 23 GLN : amide:sc= 1.03 K(o=1,f=0) USER MOD Set 2.1: C 32 HIS : no HD1:sc= -0.0319 K(o=-0.032,f=-0.54) USER MOD Set 2.2: C 34 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: C 20 ASN : amide:sc= 0 X(o=0.81,f=0.55) USER MOD Set 3.2: C 23 GLN : amide:sc= 0.805 K(o=0.81,f=0) USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.131 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0.00337 X(o=0.0034,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 4 GLN : amide:sc= -0.153 X(o=-0.15,f=0) USER MOD Single : B 6 THR OG1 : rot 180:sc= 0 USER MOD Single : B 7 TYR OH : rot 180:sc= 0 USER MOD Single : C 19 TYR OH : rot -31:sc= 0.621 USER MOD Single : C 24 GLN : amide:sc= -0.0632 K(o=-0.063,f=-0.72) USER MOD Single : C 25 TYR OH : rot 15:sc= 0.279 USER MOD Single : C 27 ASN : amide:sc= -0.323 K(o=-0.32,f=-3.2!) USER MOD Single : C 30 THR OG1 : rot -73:sc= 0.9 USER MOD Single : D 19 TYR OH : rot 164:sc= 0.855 USER MOD Single : D 24 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.51) USER MOD Single : D 25 TYR OH : rot 22:sc= 0.0255 USER MOD Single : D 27 ASN : amide:sc= -0.438 K(o=-0.44,f=-2.4!) USER MOD Single : D 30 THR OG1 : rot -71:sc= 1.21 USER MOD Single : D 32 HIS : no HE2:sc= 0.169 K(o=0.17,f=-2.1) USER MOD Single : D 34 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.937 -3.493 -5.183 1.00 0.00 N ATOM 2 CA GLY A 1 22.711 -3.118 -4.472 1.00 0.00 C ATOM 3 C GLY A 1 22.026 -4.359 -3.917 1.00 0.00 C ATOM 4 O GLY A 1 22.604 -5.447 -3.962 1.00 0.00 O ATOM 0 H1 GLY A 1 24.756 -3.045 -4.723 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.049 -4.527 -5.160 1.00 0.00 H new ATOM 0 H3 GLY A 1 23.877 -3.173 -6.171 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.948 -2.431 -3.660 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.036 -2.592 -5.148 1.00 0.00 H new ATOM 8 N PRO A 2 20.813 -4.217 -3.358 1.00 0.00 N ATOM 9 CA PRO A 2 20.072 -5.339 -2.792 1.00 0.00 C ATOM 10 C PRO A 2 19.663 -6.326 -3.890 1.00 0.00 C ATOM 11 O PRO A 2 19.585 -5.953 -5.062 1.00 0.00 O ATOM 12 CB PRO A 2 18.858 -4.707 -2.098 1.00 0.00 C ATOM 13 CG PRO A 2 18.635 -3.410 -2.877 1.00 0.00 C ATOM 14 CD PRO A 2 20.050 -2.983 -3.261 1.00 0.00 C ATOM 0 HA PRO A 2 20.667 -5.919 -2.087 1.00 0.00 H new ATOM 0 HB2 PRO A 2 17.985 -5.358 -2.145 1.00 0.00 H new ATOM 0 HB3 PRO A 2 19.055 -4.513 -1.044 1.00 0.00 H new ATOM 0 HG2 PRO A 2 18.011 -3.571 -3.756 1.00 0.00 H new ATOM 0 HG3 PRO A 2 18.138 -2.655 -2.267 1.00 0.00 H new ATOM 0 HD2 PRO A 2 20.054 -2.443 -4.208 1.00 0.00 H new ATOM 0 HD3 PRO A 2 20.476 -2.316 -2.512 1.00 0.00 H new ATOM 22 N SER A 3 19.305 -7.549 -3.496 1.00 0.00 N ATOM 23 CA SER A 3 18.879 -8.607 -4.405 1.00 0.00 C ATOM 24 C SER A 3 17.576 -9.208 -3.885 1.00 0.00 C ATOM 25 O SER A 3 16.560 -9.129 -4.572 1.00 0.00 O ATOM 26 CB SER A 3 20.004 -9.639 -4.553 1.00 0.00 C ATOM 27 OG SER A 3 19.709 -10.639 -5.512 1.00 0.00 O ATOM 0 H SER A 3 19.304 -7.834 -2.517 1.00 0.00 H new ATOM 0 HA SER A 3 18.681 -8.215 -5.403 1.00 0.00 H new ATOM 0 HB2 SER A 3 20.924 -9.129 -4.838 1.00 0.00 H new ATOM 0 HB3 SER A 3 20.187 -10.111 -3.588 1.00 0.00 H new ATOM 0 HG SER A 3 20.458 -11.269 -5.568 1.00 0.00 H new ATOM 33 N GLN A 4 17.570 -9.753 -2.662 1.00 0.00 N ATOM 34 CA GLN A 4 16.372 -10.357 -2.079 1.00 0.00 C ATOM 35 C GLN A 4 16.283 -10.223 -0.546 1.00 0.00 C ATOM 36 O GLN A 4 16.181 -11.246 0.139 1.00 0.00 O ATOM 37 CB GLN A 4 16.267 -11.823 -2.542 1.00 0.00 C ATOM 38 CG GLN A 4 17.540 -12.624 -2.204 1.00 0.00 C ATOM 39 CD GLN A 4 17.301 -13.993 -1.578 1.00 0.00 C ATOM 40 OE1 GLN A 4 18.093 -14.904 -1.813 1.00 0.00 O ATOM 41 NE2 GLN A 4 16.474 -14.095 -0.554 1.00 0.00 N ATOM 0 H GLN A 4 18.389 -9.786 -2.056 1.00 0.00 H new ATOM 0 HA GLN A 4 15.512 -9.797 -2.446 1.00 0.00 H new ATOM 0 HB2 GLN A 4 15.405 -12.293 -2.068 1.00 0.00 H new ATOM 0 HB3 GLN A 4 16.094 -11.853 -3.618 1.00 0.00 H new ATOM 0 HG2 GLN A 4 18.119 -12.757 -3.118 1.00 0.00 H new ATOM 0 HG3 GLN A 4 18.151 -12.033 -1.522 1.00 0.00 H new ATOM 0 HE21 GLN A 4 15.815 -13.343 -0.354 1.00 0.00 H new ATOM 0 HE22 GLN A 4 16.494 -14.926 0.037 1.00 0.00 H new ATOM 50 N PRO A 5 16.444 -9.020 0.032 1.00 0.00 N ATOM 51 CA PRO A 5 16.347 -8.863 1.476 1.00 0.00 C ATOM 52 C PRO A 5 14.887 -9.057 1.904 1.00 0.00 C ATOM 53 O PRO A 5 13.980 -8.606 1.199 1.00 0.00 O ATOM 54 CB PRO A 5 16.828 -7.439 1.754 1.00 0.00 C ATOM 55 CG PRO A 5 16.426 -6.681 0.489 1.00 0.00 C ATOM 56 CD PRO A 5 16.587 -7.723 -0.617 1.00 0.00 C ATOM 0 HA PRO A 5 16.942 -9.590 2.029 1.00 0.00 H new ATOM 0 HB2 PRO A 5 16.354 -7.020 2.642 1.00 0.00 H new ATOM 0 HB3 PRO A 5 17.905 -7.403 1.920 1.00 0.00 H new ATOM 0 HG2 PRO A 5 15.401 -6.315 0.549 1.00 0.00 H new ATOM 0 HG3 PRO A 5 17.065 -5.814 0.320 1.00 0.00 H new ATOM 0 HD2 PRO A 5 15.833 -7.589 -1.393 1.00 0.00 H new ATOM 0 HD3 PRO A 5 17.560 -7.633 -1.100 1.00 0.00 H new ATOM 64 N THR A 6 14.643 -9.786 2.994 1.00 0.00 N ATOM 65 CA THR A 6 13.280 -9.988 3.471 1.00 0.00 C ATOM 66 C THR A 6 12.753 -8.647 4.006 1.00 0.00 C ATOM 67 O THR A 6 13.514 -7.834 4.541 1.00 0.00 O ATOM 68 CB THR A 6 13.222 -11.121 4.520 1.00 0.00 C ATOM 69 OG1 THR A 6 11.911 -11.258 5.031 1.00 0.00 O ATOM 70 CG2 THR A 6 14.138 -10.906 5.727 1.00 0.00 C ATOM 0 H THR A 6 15.364 -10.240 3.555 1.00 0.00 H new ATOM 0 HA THR A 6 12.634 -10.312 2.655 1.00 0.00 H new ATOM 0 HB THR A 6 13.555 -12.008 3.982 1.00 0.00 H new ATOM 0 HG1 THR A 6 11.892 -11.981 5.693 1.00 0.00 H new ATOM 0 HG21 THR A 6 14.037 -11.746 6.415 1.00 0.00 H new ATOM 0 HG22 THR A 6 15.172 -10.835 5.391 1.00 0.00 H new ATOM 0 HG23 THR A 6 13.858 -9.984 6.237 1.00 0.00 H new ATOM 78 N TYR A 7 11.454 -8.412 3.846 1.00 0.00 N ATOM 79 CA TYR A 7 10.730 -7.231 4.290 1.00 0.00 C ATOM 80 C TYR A 7 9.319 -7.688 4.696 1.00 0.00 C ATOM 81 O TYR A 7 8.870 -8.740 4.217 1.00 0.00 O ATOM 82 CB TYR A 7 10.671 -6.199 3.155 1.00 0.00 C ATOM 83 CG TYR A 7 11.909 -5.339 2.957 1.00 0.00 C ATOM 84 CD1 TYR A 7 12.332 -4.448 3.967 1.00 0.00 C ATOM 85 CD2 TYR A 7 12.566 -5.333 1.710 1.00 0.00 C ATOM 86 CE1 TYR A 7 13.408 -3.574 3.736 1.00 0.00 C ATOM 87 CE2 TYR A 7 13.629 -4.445 1.468 1.00 0.00 C ATOM 88 CZ TYR A 7 14.059 -3.564 2.485 1.00 0.00 C ATOM 89 OH TYR A 7 15.092 -2.703 2.276 1.00 0.00 O ATOM 0 H TYR A 7 10.845 -9.082 3.375 1.00 0.00 H new ATOM 0 HA TYR A 7 11.227 -6.757 5.137 1.00 0.00 H new ATOM 0 HB2 TYR A 7 10.470 -6.727 2.223 1.00 0.00 H new ATOM 0 HB3 TYR A 7 9.823 -5.539 3.337 1.00 0.00 H new ATOM 0 HD1 TYR A 7 11.827 -4.438 4.921 1.00 0.00 H new ATOM 0 HD2 TYR A 7 12.251 -6.015 0.935 1.00 0.00 H new ATOM 0 HE1 TYR A 7 13.738 -2.908 4.519 1.00 0.00 H new ATOM 0 HE2 TYR A 7 14.117 -4.437 0.504 1.00 0.00 H new ATOM 0 HH TYR A 7 15.435 -2.819 1.365 1.00 0.00 H new ATOM 99 N PRO A 8 8.575 -6.882 5.480 1.00 0.00 N ATOM 100 CA PRO A 8 7.227 -7.224 5.927 1.00 0.00 C ATOM 101 C PRO A 8 6.205 -7.182 4.793 1.00 0.00 C ATOM 102 O PRO A 8 5.285 -8.000 4.776 1.00 0.00 O ATOM 103 CB PRO A 8 6.873 -6.175 6.990 1.00 0.00 C ATOM 104 CG PRO A 8 7.696 -4.961 6.574 1.00 0.00 C ATOM 105 CD PRO A 8 8.985 -5.624 6.092 1.00 0.00 C ATOM 0 HA PRO A 8 7.202 -8.244 6.311 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.806 -5.954 6.997 1.00 0.00 H new ATOM 0 HB3 PRO A 8 7.135 -6.514 7.992 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.210 -4.386 5.786 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.871 -4.278 7.406 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.507 -4.991 5.374 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.671 -5.797 6.922 1.00 0.00 H new ATOM 113 N GLY A 9 6.427 -6.340 3.782 1.00 0.00 N ATOM 114 CA GLY A 9 5.504 -6.211 2.671 1.00 0.00 C ATOM 115 C GLY A 9 4.225 -5.510 3.131 1.00 0.00 C ATOM 116 O GLY A 9 4.210 -4.860 4.178 1.00 0.00 O ATOM 0 H GLY A 9 7.247 -5.736 3.717 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.969 -5.644 1.865 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.265 -7.196 2.270 1.00 0.00 H new TER 120 GLY A 9 ATOM 121 N PRO C 11 -7.081 -7.311 9.001 1.00 0.00 N ATOM 122 CA PRO C 11 -8.402 -6.977 8.471 1.00 0.00 C ATOM 123 C PRO C 11 -8.366 -5.631 7.737 1.00 0.00 C ATOM 124 O PRO C 11 -7.457 -4.827 7.955 1.00 0.00 O ATOM 125 CB PRO C 11 -9.327 -6.950 9.691 1.00 0.00 C ATOM 126 CG PRO C 11 -8.392 -6.550 10.828 1.00 0.00 C ATOM 127 CD PRO C 11 -7.088 -7.251 10.456 1.00 0.00 C ATOM 0 HA PRO C 11 -8.752 -7.699 7.734 1.00 0.00 H new ATOM 0 HB2 PRO C 11 -10.138 -6.233 9.566 1.00 0.00 H new ATOM 0 HB3 PRO C 11 -9.786 -7.922 9.870 1.00 0.00 H new ATOM 0 HG2 PRO C 11 -8.267 -5.469 10.888 1.00 0.00 H new ATOM 0 HG3 PRO C 11 -8.768 -6.881 11.796 1.00 0.00 H new ATOM 0 HD2 PRO C 11 -6.225 -6.700 10.830 1.00 0.00 H new ATOM 0 HD3 PRO C 11 -7.041 -8.250 10.890 1.00 0.00 H new ATOM 135 N VAL C 12 -9.390 -5.327 6.933 1.00 0.00 N ATOM 136 CA VAL C 12 -9.438 -4.070 6.182 1.00 0.00 C ATOM 137 C VAL C 12 -9.401 -2.856 7.120 1.00 0.00 C ATOM 138 O VAL C 12 -8.724 -1.873 6.832 1.00 0.00 O ATOM 139 CB VAL C 12 -10.635 -4.069 5.207 1.00 0.00 C ATOM 140 CG1 VAL C 12 -12.011 -4.120 5.891 1.00 0.00 C ATOM 141 CG2 VAL C 12 -10.584 -2.857 4.267 1.00 0.00 C ATOM 0 H VAL C 12 -10.196 -5.934 6.786 1.00 0.00 H new ATOM 0 HA VAL C 12 -8.541 -3.987 5.568 1.00 0.00 H new ATOM 0 HB VAL C 12 -10.529 -4.994 4.640 1.00 0.00 H new ATOM 0 HG11 VAL C 12 -12.794 -4.116 5.133 1.00 0.00 H new ATOM 0 HG12 VAL C 12 -12.088 -5.029 6.487 1.00 0.00 H new ATOM 0 HG13 VAL C 12 -12.128 -3.251 6.538 1.00 0.00 H new ATOM 0 HG21 VAL C 12 -11.440 -2.884 3.592 1.00 0.00 H new ATOM 0 HG22 VAL C 12 -10.614 -1.939 4.855 1.00 0.00 H new ATOM 0 HG23 VAL C 12 -9.662 -2.886 3.686 1.00 0.00 H new ATOM 151 N GLU C 13 -10.051 -2.956 8.280 1.00 0.00 N ATOM 152 CA GLU C 13 -10.123 -1.913 9.297 1.00 0.00 C ATOM 153 C GLU C 13 -8.730 -1.545 9.823 1.00 0.00 C ATOM 154 O GLU C 13 -8.528 -0.435 10.318 1.00 0.00 O ATOM 155 CB GLU C 13 -11.024 -2.466 10.407 1.00 0.00 C ATOM 156 CG GLU C 13 -11.439 -1.439 11.464 1.00 0.00 C ATOM 157 CD GLU C 13 -12.371 -2.041 12.519 1.00 0.00 C ATOM 158 OE1 GLU C 13 -12.414 -3.285 12.686 1.00 0.00 O ATOM 159 OE2 GLU C 13 -13.095 -1.276 13.190 1.00 0.00 O ATOM 0 H GLU C 13 -10.560 -3.799 8.545 1.00 0.00 H new ATOM 0 HA GLU C 13 -10.532 -0.989 8.888 1.00 0.00 H new ATOM 0 HB2 GLU C 13 -11.923 -2.883 9.953 1.00 0.00 H new ATOM 0 HB3 GLU C 13 -10.506 -3.287 10.902 1.00 0.00 H new ATOM 0 HG2 GLU C 13 -10.549 -1.042 11.952 1.00 0.00 H new ATOM 0 HG3 GLU C 13 -11.937 -0.600 10.978 1.00 0.00 H new ATOM 166 N ASP C 14 -7.787 -2.486 9.771 1.00 0.00 N ATOM 167 CA ASP C 14 -6.411 -2.310 10.212 1.00 0.00 C ATOM 168 C ASP C 14 -5.537 -1.910 9.027 1.00 0.00 C ATOM 169 O ASP C 14 -4.731 -0.989 9.161 1.00 0.00 O ATOM 170 CB ASP C 14 -5.910 -3.619 10.829 1.00 0.00 C ATOM 171 CG ASP C 14 -4.544 -3.428 11.475 1.00 0.00 C ATOM 172 OD1 ASP C 14 -4.488 -2.838 12.580 1.00 0.00 O ATOM 173 OD2 ASP C 14 -3.530 -3.820 10.869 1.00 0.00 O ATOM 0 H ASP C 14 -7.970 -3.421 9.408 1.00 0.00 H new ATOM 0 HA ASP C 14 -6.361 -1.520 10.961 1.00 0.00 H new ATOM 0 HB2 ASP C 14 -6.623 -3.971 11.575 1.00 0.00 H new ATOM 0 HB3 ASP C 14 -5.848 -4.388 10.059 1.00 0.00 H new ATOM 178 N LEU C 15 -5.766 -2.509 7.848 1.00 0.00 N ATOM 179 CA LEU C 15 -5.019 -2.224 6.625 1.00 0.00 C ATOM 180 C LEU C 15 -5.176 -0.757 6.225 1.00 0.00 C ATOM 181 O LEU C 15 -4.205 -0.170 5.764 1.00 0.00 O ATOM 182 CB LEU C 15 -5.432 -3.152 5.469 1.00 0.00 C ATOM 183 CG LEU C 15 -4.355 -3.171 4.355 1.00 0.00 C ATOM 184 CD1 LEU C 15 -3.259 -4.202 4.643 1.00 0.00 C ATOM 185 CD2 LEU C 15 -4.973 -3.511 3.001 1.00 0.00 C ATOM 0 H LEU C 15 -6.490 -3.217 7.722 1.00 0.00 H new ATOM 0 HA LEU C 15 -3.967 -2.417 6.835 1.00 0.00 H new ATOM 0 HB2 LEU C 15 -5.586 -4.163 5.847 1.00 0.00 H new ATOM 0 HB3 LEU C 15 -6.383 -2.819 5.054 1.00 0.00 H new ATOM 0 HG LEU C 15 -3.920 -2.172 4.332 1.00 0.00 H new ATOM 0 HD11 LEU C 15 -2.523 -4.185 3.839 1.00 0.00 H new ATOM 0 HD12 LEU C 15 -2.771 -3.960 5.587 1.00 0.00 H new ATOM 0 HD13 LEU C 15 -3.702 -5.196 4.708 1.00 0.00 H new ATOM 0 HD21 LEU C 15 -4.195 -3.517 2.237 1.00 0.00 H new ATOM 0 HD22 LEU C 15 -5.441 -4.494 3.051 1.00 0.00 H new ATOM 0 HD23 LEU C 15 -5.725 -2.764 2.746 1.00 0.00 H new ATOM 197 N ILE C 16 -6.346 -0.145 6.446 1.00 0.00 N ATOM 198 CA ILE C 16 -6.594 1.262 6.117 1.00 0.00 C ATOM 199 C ILE C 16 -5.555 2.145 6.818 1.00 0.00 C ATOM 200 O ILE C 16 -5.048 3.100 6.225 1.00 0.00 O ATOM 201 CB ILE C 16 -8.032 1.664 6.539 1.00 0.00 C ATOM 202 CG1 ILE C 16 -9.105 1.045 5.620 1.00 0.00 C ATOM 203 CG2 ILE C 16 -8.231 3.192 6.523 1.00 0.00 C ATOM 204 CD1 ILE C 16 -10.472 0.914 6.300 1.00 0.00 C ATOM 0 H ILE C 16 -7.151 -0.615 6.860 1.00 0.00 H new ATOM 0 HA ILE C 16 -6.504 1.403 5.040 1.00 0.00 H new ATOM 0 HB ILE C 16 -8.150 1.282 7.553 1.00 0.00 H new ATOM 0 HG12 ILE C 16 -9.208 1.659 4.725 1.00 0.00 H new ATOM 0 HG13 ILE C 16 -8.772 0.060 5.294 1.00 0.00 H new ATOM 0 HG21 ILE C 16 -9.251 3.429 6.825 1.00 0.00 H new ATOM 0 HG22 ILE C 16 -7.530 3.657 7.216 1.00 0.00 H new ATOM 0 HG23 ILE C 16 -8.053 3.572 5.517 1.00 0.00 H new ATOM 0 HD11 ILE C 16 -11.184 0.472 5.603 1.00 0.00 H new ATOM 0 HD12 ILE C 16 -10.381 0.276 7.179 1.00 0.00 H new ATOM 0 HD13 ILE C 16 -10.824 1.900 6.602 1.00 0.00 H new ATOM 216 N ARG C 17 -5.345 1.920 8.118 1.00 0.00 N ATOM 217 CA ARG C 17 -4.400 2.707 8.894 1.00 0.00 C ATOM 218 C ARG C 17 -2.972 2.337 8.507 1.00 0.00 C ATOM 219 O ARG C 17 -2.196 3.205 8.112 1.00 0.00 O ATOM 220 CB ARG C 17 -4.684 2.525 10.399 1.00 0.00 C ATOM 221 CG ARG C 17 -4.254 3.793 11.146 1.00 0.00 C ATOM 222 CD ARG C 17 -4.724 3.823 12.602 1.00 0.00 C ATOM 223 NE ARG C 17 -4.315 5.097 13.207 1.00 0.00 N ATOM 224 CZ ARG C 17 -4.672 5.610 14.384 1.00 0.00 C ATOM 225 NH1 ARG C 17 -5.569 5.021 15.163 1.00 0.00 N ATOM 226 NH2 ARG C 17 -4.123 6.757 14.754 1.00 0.00 N ATOM 0 H ARG C 17 -5.823 1.194 8.652 1.00 0.00 H new ATOM 0 HA ARG C 17 -4.520 3.767 8.672 1.00 0.00 H new ATOM 0 HB2 ARG C 17 -5.745 2.334 10.561 1.00 0.00 H new ATOM 0 HB3 ARG C 17 -4.142 1.660 10.782 1.00 0.00 H new ATOM 0 HG2 ARG C 17 -3.167 3.871 11.120 1.00 0.00 H new ATOM 0 HG3 ARG C 17 -4.649 4.665 10.625 1.00 0.00 H new ATOM 0 HD2 ARG C 17 -5.807 3.713 12.651 1.00 0.00 H new ATOM 0 HD3 ARG C 17 -4.294 2.988 13.154 1.00 0.00 H new ATOM 0 HE ARG C 17 -3.673 5.664 12.653 1.00 0.00 H new ATOM 0 HH11 ARG C 17 -6.008 4.149 14.867 1.00 0.00 H new ATOM 0 HH12 ARG C 17 -5.820 5.440 16.058 1.00 0.00 H new ATOM 0 HH21 ARG C 17 -3.449 7.220 14.144 1.00 0.00 H new ATOM 0 HH22 ARG C 17 -4.374 7.177 15.649 1.00 0.00 H new ATOM 240 N PHE C 18 -2.678 1.039 8.532 1.00 0.00 N ATOM 241 CA PHE C 18 -1.388 0.455 8.214 1.00 0.00 C ATOM 242 C PHE C 18 -0.845 0.942 6.871 1.00 0.00 C ATOM 243 O PHE C 18 0.247 1.483 6.851 1.00 0.00 O ATOM 244 CB PHE C 18 -1.521 -1.071 8.293 1.00 0.00 C ATOM 245 CG PHE C 18 -0.447 -1.874 7.593 1.00 0.00 C ATOM 246 CD1 PHE C 18 0.737 -2.225 8.266 1.00 0.00 C ATOM 247 CD2 PHE C 18 -0.661 -2.310 6.272 1.00 0.00 C ATOM 248 CE1 PHE C 18 1.717 -2.987 7.607 1.00 0.00 C ATOM 249 CE2 PHE C 18 0.300 -3.102 5.628 1.00 0.00 C ATOM 250 CZ PHE C 18 1.499 -3.420 6.288 1.00 0.00 C ATOM 0 H PHE C 18 -3.371 0.336 8.788 1.00 0.00 H new ATOM 0 HA PHE C 18 -0.646 0.783 8.942 1.00 0.00 H new ATOM 0 HB2 PHE C 18 -1.534 -1.359 9.344 1.00 0.00 H new ATOM 0 HB3 PHE C 18 -2.487 -1.353 7.874 1.00 0.00 H new ATOM 0 HD1 PHE C 18 0.893 -1.910 9.287 1.00 0.00 H new ATOM 0 HD2 PHE C 18 -1.567 -2.034 5.753 1.00 0.00 H new ATOM 0 HE1 PHE C 18 2.637 -3.240 8.114 1.00 0.00 H new ATOM 0 HE2 PHE C 18 0.119 -3.467 4.628 1.00 0.00 H new ATOM 0 HZ PHE C 18 2.256 -3.999 5.780 1.00 0.00 H new ATOM 260 N TYR C 19 -1.598 0.854 5.772 1.00 0.00 N ATOM 261 CA TYR C 19 -1.190 1.266 4.423 1.00 0.00 C ATOM 262 C TYR C 19 -0.650 2.699 4.344 1.00 0.00 C ATOM 263 O TYR C 19 0.239 2.990 3.538 1.00 0.00 O ATOM 264 CB TYR C 19 -2.404 1.105 3.496 1.00 0.00 C ATOM 265 CG TYR C 19 -2.249 1.669 2.095 1.00 0.00 C ATOM 266 CD1 TYR C 19 -1.484 0.980 1.135 1.00 0.00 C ATOM 267 CD2 TYR C 19 -2.910 2.863 1.741 1.00 0.00 C ATOM 268 CE1 TYR C 19 -1.401 1.470 -0.182 1.00 0.00 C ATOM 269 CE2 TYR C 19 -2.824 3.358 0.426 1.00 0.00 C ATOM 270 CZ TYR C 19 -2.064 2.666 -0.542 1.00 0.00 C ATOM 271 OH TYR C 19 -2.046 3.124 -1.824 1.00 0.00 O ATOM 0 H TYR C 19 -2.546 0.479 5.796 1.00 0.00 H new ATOM 0 HA TYR C 19 -0.360 0.629 4.117 1.00 0.00 H new ATOM 0 HB2 TYR C 19 -2.637 0.043 3.415 1.00 0.00 H new ATOM 0 HB3 TYR C 19 -3.262 1.585 3.967 1.00 0.00 H new ATOM 0 HD1 TYR C 19 -0.961 0.076 1.409 1.00 0.00 H new ATOM 0 HD2 TYR C 19 -3.484 3.400 2.481 1.00 0.00 H new ATOM 0 HE1 TYR C 19 -0.828 0.930 -0.921 1.00 0.00 H new ATOM 0 HE2 TYR C 19 -3.340 4.268 0.157 1.00 0.00 H new ATOM 0 HH TYR C 19 -1.208 2.855 -2.256 1.00 0.00 H new ATOM 281 N ASN C 20 -1.229 3.600 5.136 1.00 0.00 N ATOM 282 CA ASN C 20 -0.870 5.010 5.198 1.00 0.00 C ATOM 283 C ASN C 20 0.450 5.211 5.927 1.00 0.00 C ATOM 284 O ASN C 20 1.262 6.040 5.514 1.00 0.00 O ATOM 285 CB ASN C 20 -2.002 5.726 5.943 1.00 0.00 C ATOM 286 CG ASN C 20 -2.047 7.228 5.732 1.00 0.00 C ATOM 287 OD1 ASN C 20 -1.057 7.892 5.429 1.00 0.00 O ATOM 288 ND2 ASN C 20 -3.239 7.788 5.822 1.00 0.00 N ATOM 0 H ASN C 20 -1.987 3.357 5.773 1.00 0.00 H new ATOM 0 HA ASN C 20 -0.742 5.412 4.193 1.00 0.00 H new ATOM 0 HB2 ASN C 20 -2.954 5.299 5.627 1.00 0.00 H new ATOM 0 HB3 ASN C 20 -1.901 5.525 7.010 1.00 0.00 H new ATOM 0 HD21 ASN C 20 -3.349 8.785 5.639 1.00 0.00 H new ATOM 0 HD22 ASN C 20 -4.050 7.223 6.074 1.00 0.00 H new ATOM 295 N ASP C 21 0.657 4.480 7.021 1.00 0.00 N ATOM 296 CA ASP C 21 1.875 4.552 7.824 1.00 0.00 C ATOM 297 C ASP C 21 3.003 3.772 7.133 1.00 0.00 C ATOM 298 O ASP C 21 4.147 4.233 7.125 1.00 0.00 O ATOM 299 CB ASP C 21 1.604 4.044 9.250 1.00 0.00 C ATOM 300 CG ASP C 21 1.236 5.192 10.203 1.00 0.00 C ATOM 301 OD1 ASP C 21 0.257 5.927 9.952 1.00 0.00 O ATOM 302 OD2 ASP C 21 2.035 5.477 11.130 1.00 0.00 O ATOM 0 H ASP C 21 -0.026 3.812 7.379 1.00 0.00 H new ATOM 0 HA ASP C 21 2.197 5.590 7.909 1.00 0.00 H new ATOM 0 HB2 ASP C 21 0.794 3.315 9.229 1.00 0.00 H new ATOM 0 HB3 ASP C 21 2.487 3.528 9.626 1.00 0.00 H new ATOM 307 N LEU C 22 2.655 2.706 6.396 1.00 0.00 N ATOM 308 CA LEU C 22 3.511 1.802 5.630 1.00 0.00 C ATOM 309 C LEU C 22 4.276 2.555 4.548 1.00 0.00 C ATOM 310 O LEU C 22 5.266 2.036 4.036 1.00 0.00 O ATOM 311 CB LEU C 22 2.638 0.698 4.993 1.00 0.00 C ATOM 312 CG LEU C 22 3.385 -0.363 4.159 1.00 0.00 C ATOM 313 CD1 LEU C 22 4.243 -1.265 5.054 1.00 0.00 C ATOM 314 CD2 LEU C 22 2.395 -1.189 3.336 1.00 0.00 C ATOM 0 H LEU C 22 1.675 2.434 6.317 1.00 0.00 H new ATOM 0 HA LEU C 22 4.242 1.354 6.304 1.00 0.00 H new ATOM 0 HB2 LEU C 22 2.095 0.188 5.789 1.00 0.00 H new ATOM 0 HB3 LEU C 22 1.894 1.175 4.354 1.00 0.00 H new ATOM 0 HG LEU C 22 4.055 0.153 3.472 1.00 0.00 H new ATOM 0 HD11 LEU C 22 4.758 -2.003 4.439 1.00 0.00 H new ATOM 0 HD12 LEU C 22 4.977 -0.659 5.585 1.00 0.00 H new ATOM 0 HD13 LEU C 22 3.605 -1.775 5.775 1.00 0.00 H new ATOM 0 HD21 LEU C 22 2.938 -1.933 2.753 1.00 0.00 H new ATOM 0 HD22 LEU C 22 1.696 -1.691 4.005 1.00 0.00 H new ATOM 0 HD23 LEU C 22 1.844 -0.532 2.663 1.00 0.00 H new ATOM 326 N GLN C 23 3.862 3.777 4.198 1.00 0.00 N ATOM 327 CA GLN C 23 4.550 4.577 3.197 1.00 0.00 C ATOM 328 C GLN C 23 6.042 4.679 3.558 1.00 0.00 C ATOM 329 O GLN C 23 6.891 4.662 2.673 1.00 0.00 O ATOM 330 CB GLN C 23 3.858 5.940 3.060 1.00 0.00 C ATOM 331 CG GLN C 23 4.130 6.907 4.217 1.00 0.00 C ATOM 332 CD GLN C 23 3.508 8.265 3.938 1.00 0.00 C ATOM 333 OE1 GLN C 23 4.179 9.166 3.435 1.00 0.00 O ATOM 334 NE2 GLN C 23 2.232 8.429 4.212 1.00 0.00 N ATOM 0 H GLN C 23 3.044 4.232 4.602 1.00 0.00 H new ATOM 0 HA GLN C 23 4.496 4.102 2.217 1.00 0.00 H new ATOM 0 HB2 GLN C 23 4.181 6.406 2.129 1.00 0.00 H new ATOM 0 HB3 GLN C 23 2.783 5.781 2.980 1.00 0.00 H new ATOM 0 HG2 GLN C 23 3.724 6.498 5.142 1.00 0.00 H new ATOM 0 HG3 GLN C 23 5.205 7.016 4.361 1.00 0.00 H new ATOM 0 HE21 GLN C 23 1.698 7.667 4.629 1.00 0.00 H new ATOM 0 HE22 GLN C 23 1.777 9.319 4.008 1.00 0.00 H new ATOM 343 N GLN C 24 6.370 4.661 4.858 1.00 0.00 N ATOM 344 CA GLN C 24 7.731 4.720 5.379 1.00 0.00 C ATOM 345 C GLN C 24 8.583 3.526 4.910 1.00 0.00 C ATOM 346 O GLN C 24 9.804 3.650 4.859 1.00 0.00 O ATOM 347 CB GLN C 24 7.702 4.844 6.915 1.00 0.00 C ATOM 348 CG GLN C 24 7.898 6.300 7.377 1.00 0.00 C ATOM 349 CD GLN C 24 9.318 6.835 7.170 1.00 0.00 C ATOM 350 OE1 GLN C 24 10.246 6.103 6.829 1.00 0.00 O ATOM 351 NE2 GLN C 24 9.536 8.114 7.405 1.00 0.00 N ATOM 0 H GLN C 24 5.667 4.603 5.595 1.00 0.00 H new ATOM 0 HA GLN C 24 8.213 5.610 4.974 1.00 0.00 H new ATOM 0 HB2 GLN C 24 6.751 4.468 7.292 1.00 0.00 H new ATOM 0 HB3 GLN C 24 8.484 4.218 7.345 1.00 0.00 H new ATOM 0 HG2 GLN C 24 7.198 6.938 6.838 1.00 0.00 H new ATOM 0 HG3 GLN C 24 7.645 6.372 8.435 1.00 0.00 H new ATOM 0 HE21 GLN C 24 8.765 8.719 7.688 1.00 0.00 H new ATOM 0 HE22 GLN C 24 10.475 8.498 7.304 1.00 0.00 H new ATOM 360 N TYR C 25 8.000 2.355 4.634 1.00 0.00 N ATOM 361 CA TYR C 25 8.746 1.194 4.146 1.00 0.00 C ATOM 362 C TYR C 25 9.190 1.535 2.722 1.00 0.00 C ATOM 363 O TYR C 25 10.385 1.524 2.423 1.00 0.00 O ATOM 364 CB TYR C 25 7.880 -0.083 4.197 1.00 0.00 C ATOM 365 CG TYR C 25 8.296 -1.247 3.303 1.00 0.00 C ATOM 366 CD1 TYR C 25 9.653 -1.567 3.090 1.00 0.00 C ATOM 367 CD2 TYR C 25 7.300 -2.022 2.672 1.00 0.00 C ATOM 368 CE1 TYR C 25 10.008 -2.629 2.238 1.00 0.00 C ATOM 369 CE2 TYR C 25 7.649 -3.102 1.843 1.00 0.00 C ATOM 370 CZ TYR C 25 9.007 -3.412 1.620 1.00 0.00 C ATOM 371 OH TYR C 25 9.335 -4.480 0.839 1.00 0.00 O ATOM 0 H TYR C 25 7.000 2.187 4.743 1.00 0.00 H new ATOM 0 HA TYR C 25 9.613 0.984 4.773 1.00 0.00 H new ATOM 0 HB2 TYR C 25 7.863 -0.438 5.227 1.00 0.00 H new ATOM 0 HB3 TYR C 25 6.858 0.192 3.938 1.00 0.00 H new ATOM 0 HD1 TYR C 25 10.424 -0.994 3.584 1.00 0.00 H new ATOM 0 HD2 TYR C 25 6.258 -1.783 2.828 1.00 0.00 H new ATOM 0 HE1 TYR C 25 11.050 -2.847 2.056 1.00 0.00 H new ATOM 0 HE2 TYR C 25 6.877 -3.695 1.376 1.00 0.00 H new ATOM 0 HH TYR C 25 10.275 -4.716 0.986 1.00 0.00 H new ATOM 381 N LEU C 26 8.229 1.886 1.858 1.00 0.00 N ATOM 382 CA LEU C 26 8.463 2.253 0.460 1.00 0.00 C ATOM 383 C LEU C 26 9.406 3.450 0.345 1.00 0.00 C ATOM 384 O LEU C 26 10.249 3.507 -0.559 1.00 0.00 O ATOM 385 CB LEU C 26 7.120 2.497 -0.247 1.00 0.00 C ATOM 386 CG LEU C 26 6.876 1.396 -1.291 1.00 0.00 C ATOM 387 CD1 LEU C 26 5.409 1.330 -1.693 1.00 0.00 C ATOM 388 CD2 LEU C 26 7.730 1.639 -2.538 1.00 0.00 C ATOM 0 H LEU C 26 7.244 1.923 2.120 1.00 0.00 H new ATOM 0 HA LEU C 26 8.962 1.425 -0.043 1.00 0.00 H new ATOM 0 HB2 LEU C 26 6.310 2.505 0.483 1.00 0.00 H new ATOM 0 HB3 LEU C 26 7.124 3.474 -0.729 1.00 0.00 H new ATOM 0 HG LEU C 26 7.158 0.447 -0.835 1.00 0.00 H new ATOM 0 HD11 LEU C 26 5.270 0.541 -2.433 1.00 0.00 H new ATOM 0 HD12 LEU C 26 4.800 1.115 -0.815 1.00 0.00 H new ATOM 0 HD13 LEU C 26 5.105 2.286 -2.120 1.00 0.00 H new ATOM 0 HD21 LEU C 26 7.544 0.849 -3.266 1.00 0.00 H new ATOM 0 HD22 LEU C 26 7.470 2.604 -2.974 1.00 0.00 H new ATOM 0 HD23 LEU C 26 8.785 1.637 -2.263 1.00 0.00 H new ATOM 400 N ASN C 27 9.313 4.362 1.311 1.00 0.00 N ATOM 401 CA ASN C 27 10.136 5.550 1.417 1.00 0.00 C ATOM 402 C ASN C 27 11.581 5.071 1.529 1.00 0.00 C ATOM 403 O ASN C 27 12.379 5.408 0.662 1.00 0.00 O ATOM 404 CB ASN C 27 9.700 6.375 2.636 1.00 0.00 C ATOM 405 CG ASN C 27 10.446 7.693 2.789 1.00 0.00 C ATOM 406 OD1 ASN C 27 11.661 7.764 2.642 1.00 0.00 O ATOM 407 ND2 ASN C 27 9.740 8.734 3.189 1.00 0.00 N ATOM 0 H ASN C 27 8.633 4.284 2.068 1.00 0.00 H new ATOM 0 HA ASN C 27 10.033 6.201 0.549 1.00 0.00 H new ATOM 0 HB2 ASN C 27 8.632 6.580 2.560 1.00 0.00 H new ATOM 0 HB3 ASN C 27 9.847 5.779 3.537 1.00 0.00 H new ATOM 0 HD21 ASN C 27 10.204 9.621 3.383 1.00 0.00 H new ATOM 0 HD22 ASN C 27 8.730 8.651 3.304 1.00 0.00 H new ATOM 414 N VAL C 28 11.889 4.160 2.460 1.00 0.00 N ATOM 415 CA VAL C 28 13.239 3.635 2.642 1.00 0.00 C ATOM 416 C VAL C 28 13.733 2.855 1.428 1.00 0.00 C ATOM 417 O VAL C 28 14.851 3.131 0.987 1.00 0.00 O ATOM 418 CB VAL C 28 13.337 2.751 3.898 1.00 0.00 C ATOM 419 CG1 VAL C 28 14.729 2.115 4.047 1.00 0.00 C ATOM 420 CG2 VAL C 28 13.105 3.580 5.156 1.00 0.00 C ATOM 0 H VAL C 28 11.205 3.768 3.107 1.00 0.00 H new ATOM 0 HA VAL C 28 13.883 4.505 2.767 1.00 0.00 H new ATOM 0 HB VAL C 28 12.579 1.976 3.781 1.00 0.00 H new ATOM 0 HG11 VAL C 28 14.753 1.500 4.946 1.00 0.00 H new ATOM 0 HG12 VAL C 28 14.940 1.494 3.177 1.00 0.00 H new ATOM 0 HG13 VAL C 28 15.481 2.900 4.124 1.00 0.00 H new ATOM 0 HG21 VAL C 28 13.178 2.938 6.034 1.00 0.00 H new ATOM 0 HG22 VAL C 28 13.858 4.366 5.218 1.00 0.00 H new ATOM 0 HG23 VAL C 28 12.113 4.030 5.117 1.00 0.00 H new ATOM 430 N VAL C 29 12.962 1.919 0.855 1.00 0.00 N ATOM 431 CA VAL C 29 13.440 1.145 -0.293 1.00 0.00 C ATOM 432 C VAL C 29 13.800 1.990 -1.518 1.00 0.00 C ATOM 433 O VAL C 29 14.506 1.478 -2.389 1.00 0.00 O ATOM 434 CB VAL C 29 12.509 -0.031 -0.658 1.00 0.00 C ATOM 435 CG1 VAL C 29 12.814 -1.240 0.226 1.00 0.00 C ATOM 436 CG2 VAL C 29 11.016 0.223 -0.635 1.00 0.00 C ATOM 0 H VAL C 29 12.019 1.684 1.164 1.00 0.00 H new ATOM 0 HA VAL C 29 14.381 0.714 0.049 1.00 0.00 H new ATOM 0 HB VAL C 29 12.741 -0.206 -1.709 1.00 0.00 H new ATOM 0 HG11 VAL C 29 12.151 -2.063 -0.041 1.00 0.00 H new ATOM 0 HG12 VAL C 29 13.850 -1.546 0.079 1.00 0.00 H new ATOM 0 HG13 VAL C 29 12.659 -0.974 1.272 1.00 0.00 H new ATOM 0 HG21 VAL C 29 10.487 -0.689 -0.912 1.00 0.00 H new ATOM 0 HG22 VAL C 29 10.714 0.527 0.367 1.00 0.00 H new ATOM 0 HG23 VAL C 29 10.771 1.014 -1.344 1.00 0.00 H new ATOM 446 N THR C 30 13.446 3.276 -1.547 1.00 0.00 N ATOM 447 CA THR C 30 13.747 4.169 -2.660 1.00 0.00 C ATOM 448 C THR C 30 14.358 5.506 -2.231 1.00 0.00 C ATOM 449 O THR C 30 14.818 6.272 -3.073 1.00 0.00 O ATOM 450 CB THR C 30 12.442 4.407 -3.438 1.00 0.00 C ATOM 451 OG1 THR C 30 11.476 5.036 -2.608 1.00 0.00 O ATOM 452 CG2 THR C 30 11.837 3.114 -3.998 1.00 0.00 C ATOM 0 H THR C 30 12.937 3.729 -0.788 1.00 0.00 H new ATOM 0 HA THR C 30 14.504 3.689 -3.280 1.00 0.00 H new ATOM 0 HB THR C 30 12.704 5.050 -4.278 1.00 0.00 H new ATOM 0 HG1 THR C 30 11.127 4.387 -1.962 1.00 0.00 H new ATOM 0 HG21 THR C 30 10.918 3.346 -4.537 1.00 0.00 H new ATOM 0 HG22 THR C 30 12.548 2.644 -4.678 1.00 0.00 H new ATOM 0 HG23 THR C 30 11.614 2.431 -3.178 1.00 0.00 H new ATOM 460 N ARG C 31 14.534 5.714 -0.927 1.00 0.00 N ATOM 461 CA ARG C 31 15.029 6.942 -0.303 1.00 0.00 C ATOM 462 C ARG C 31 14.151 8.106 -0.791 1.00 0.00 C ATOM 463 O ARG C 31 14.664 9.161 -1.162 1.00 0.00 O ATOM 464 CB ARG C 31 16.529 7.146 -0.554 1.00 0.00 C ATOM 465 CG ARG C 31 17.127 8.116 0.483 1.00 0.00 C ATOM 466 CD ARG C 31 18.287 8.927 -0.096 1.00 0.00 C ATOM 467 NE ARG C 31 19.517 8.140 -0.291 1.00 0.00 N ATOM 468 CZ ARG C 31 20.634 8.633 -0.847 1.00 0.00 C ATOM 469 NH1 ARG C 31 20.668 9.880 -1.299 1.00 0.00 N ATOM 470 NH2 ARG C 31 21.732 7.892 -0.936 1.00 0.00 N ATOM 0 H ARG C 31 14.324 4.991 -0.239 1.00 0.00 H new ATOM 0 HA ARG C 31 14.947 6.881 0.782 1.00 0.00 H new ATOM 0 HB2 ARG C 31 17.045 6.187 -0.503 1.00 0.00 H new ATOM 0 HB3 ARG C 31 16.685 7.539 -1.559 1.00 0.00 H new ATOM 0 HG2 ARG C 31 16.350 8.795 0.835 1.00 0.00 H new ATOM 0 HG3 ARG C 31 17.475 7.552 1.349 1.00 0.00 H new ATOM 0 HD2 ARG C 31 17.981 9.351 -1.053 1.00 0.00 H new ATOM 0 HD3 ARG C 31 18.502 9.763 0.569 1.00 0.00 H new ATOM 0 HE ARG C 31 19.520 7.167 0.014 1.00 0.00 H new ATOM 0 HH11 ARG C 31 19.841 10.472 -1.225 1.00 0.00 H new ATOM 0 HH12 ARG C 31 21.522 10.247 -1.720 1.00 0.00 H new ATOM 0 HH21 ARG C 31 21.733 6.936 -0.579 1.00 0.00 H new ATOM 0 HH22 ARG C 31 22.575 8.278 -1.361 1.00 0.00 H new ATOM 484 N HIS C 32 12.827 7.908 -0.773 1.00 0.00 N ATOM 485 CA HIS C 32 11.803 8.854 -1.219 1.00 0.00 C ATOM 486 C HIS C 32 12.175 9.353 -2.622 1.00 0.00 C ATOM 487 O HIS C 32 12.372 10.549 -2.855 1.00 0.00 O ATOM 488 CB HIS C 32 11.594 9.976 -0.184 1.00 0.00 C ATOM 489 CG HIS C 32 10.312 10.756 -0.366 1.00 0.00 C ATOM 490 ND1 HIS C 32 9.722 11.117 -1.560 1.00 0.00 N ATOM 491 CD2 HIS C 32 9.526 11.242 0.644 1.00 0.00 C ATOM 492 CE1 HIS C 32 8.595 11.788 -1.276 1.00 0.00 C ATOM 493 NE2 HIS C 32 8.441 11.904 0.055 1.00 0.00 N ATOM 0 H HIS C 32 12.423 7.037 -0.428 1.00 0.00 H new ATOM 0 HA HIS C 32 10.832 8.364 -1.294 1.00 0.00 H new ATOM 0 HB2 HIS C 32 11.602 9.540 0.815 1.00 0.00 H new ATOM 0 HB3 HIS C 32 12.436 10.666 -0.237 1.00 0.00 H new ATOM 0 HD2 HIS C 32 9.709 11.135 1.703 1.00 0.00 H new ATOM 0 HE1 HIS C 32 7.909 12.180 -2.012 1.00 0.00 H new ATOM 0 HE2 HIS C 32 7.682 12.381 0.541 1.00 0.00 H new ATOM 501 N ARG C 33 12.321 8.419 -3.564 1.00 0.00 N ATOM 502 CA ARG C 33 12.697 8.731 -4.939 1.00 0.00 C ATOM 503 C ARG C 33 11.809 7.907 -5.859 1.00 0.00 C ATOM 504 O ARG C 33 12.145 6.789 -6.259 1.00 0.00 O ATOM 505 CB ARG C 33 14.221 8.520 -5.088 1.00 0.00 C ATOM 506 CG ARG C 33 14.925 9.597 -5.922 1.00 0.00 C ATOM 507 CD ARG C 33 16.439 9.593 -5.652 1.00 0.00 C ATOM 508 NE ARG C 33 17.101 8.412 -6.224 1.00 0.00 N ATOM 509 CZ ARG C 33 17.527 8.280 -7.484 1.00 0.00 C ATOM 510 NH1 ARG C 33 17.385 9.247 -8.385 1.00 0.00 N ATOM 511 NH2 ARG C 33 18.092 7.147 -7.857 1.00 0.00 N ATOM 0 H ARG C 33 12.181 7.423 -3.392 1.00 0.00 H new ATOM 0 HA ARG C 33 12.529 9.771 -5.220 1.00 0.00 H new ATOM 0 HB2 ARG C 33 14.672 8.492 -4.096 1.00 0.00 H new ATOM 0 HB3 ARG C 33 14.399 7.547 -5.546 1.00 0.00 H new ATOM 0 HG2 ARG C 33 14.739 9.422 -6.982 1.00 0.00 H new ATOM 0 HG3 ARG C 33 14.511 10.577 -5.683 1.00 0.00 H new ATOM 0 HD2 ARG C 33 16.884 10.496 -6.071 1.00 0.00 H new ATOM 0 HD3 ARG C 33 16.615 9.621 -4.577 1.00 0.00 H new ATOM 0 HE ARG C 33 17.249 7.618 -5.601 1.00 0.00 H new ATOM 0 HH11 ARG C 33 16.938 10.126 -8.124 1.00 0.00 H new ATOM 0 HH12 ARG C 33 17.723 9.110 -9.338 1.00 0.00 H new ATOM 0 HH21 ARG C 33 18.199 6.386 -7.187 1.00 0.00 H new ATOM 0 HH22 ARG C 33 18.422 7.033 -8.816 1.00 0.00 H new ATOM 525 N TYR C 34 10.591 8.395 -6.065 1.00 0.00 N ATOM 526 CA TYR C 34 9.558 7.789 -6.899 1.00 0.00 C ATOM 527 C TYR C 34 8.792 8.919 -7.601 1.00 0.00 C ATOM 528 O TYR C 34 7.572 8.909 -7.728 1.00 0.00 O ATOM 529 CB TYR C 34 8.697 6.813 -6.063 1.00 0.00 C ATOM 530 CG TYR C 34 8.369 7.234 -4.636 1.00 0.00 C ATOM 531 CD1 TYR C 34 7.801 8.493 -4.388 1.00 0.00 C ATOM 532 CD2 TYR C 34 8.652 6.382 -3.550 1.00 0.00 C ATOM 533 CE1 TYR C 34 7.560 8.926 -3.077 1.00 0.00 C ATOM 534 CE2 TYR C 34 8.386 6.794 -2.230 1.00 0.00 C ATOM 535 CZ TYR C 34 7.841 8.074 -1.987 1.00 0.00 C ATOM 536 OH TYR C 34 7.558 8.474 -0.717 1.00 0.00 O ATOM 0 H TYR C 34 10.281 9.266 -5.634 1.00 0.00 H new ATOM 0 HA TYR C 34 9.977 7.163 -7.687 1.00 0.00 H new ATOM 0 HB2 TYR C 34 7.759 6.649 -6.593 1.00 0.00 H new ATOM 0 HB3 TYR C 34 9.213 5.854 -6.024 1.00 0.00 H new ATOM 0 HD1 TYR C 34 7.546 9.136 -5.217 1.00 0.00 H new ATOM 0 HD2 TYR C 34 9.076 5.405 -3.731 1.00 0.00 H new ATOM 0 HE1 TYR C 34 7.159 9.913 -2.900 1.00 0.00 H new ATOM 0 HE2 TYR C 34 8.599 6.132 -1.404 1.00 0.00 H new ATOM 0 HH TYR C 34 7.813 7.768 -0.087 1.00 0.00 H new HETATM 546 N NH2 C 35 9.485 9.992 -7.948 1.00 0.00 N TER 549 NH2 C 35 ATOM 550 N GLY B 1 -22.679 -3.692 5.154 1.00 0.00 N ATOM 551 CA GLY B 1 -22.485 -3.882 3.715 1.00 0.00 C ATOM 552 C GLY B 1 -21.695 -5.151 3.437 1.00 0.00 C ATOM 553 O GLY B 1 -22.255 -6.242 3.543 1.00 0.00 O ATOM 0 H1 GLY B 1 -23.221 -2.820 5.319 1.00 0.00 H new ATOM 0 H2 GLY B 1 -23.201 -4.503 5.544 1.00 0.00 H new ATOM 0 H3 GLY B 1 -21.753 -3.619 5.622 1.00 0.00 H new ATOM 0 HA2 GLY B 1 -23.453 -3.935 3.217 1.00 0.00 H new ATOM 0 HA3 GLY B 1 -21.959 -3.023 3.298 1.00 0.00 H new ATOM 557 N PRO B 2 -20.418 -5.050 3.039 1.00 0.00 N ATOM 558 CA PRO B 2 -19.585 -6.214 2.748 1.00 0.00 C ATOM 559 C PRO B 2 -19.097 -6.915 4.023 1.00 0.00 C ATOM 560 O PRO B 2 -18.811 -6.243 5.018 1.00 0.00 O ATOM 561 CB PRO B 2 -18.406 -5.644 1.958 1.00 0.00 C ATOM 562 CG PRO B 2 -18.247 -4.224 2.500 1.00 0.00 C ATOM 563 CD PRO B 2 -19.670 -3.812 2.868 1.00 0.00 C ATOM 0 HA PRO B 2 -20.139 -6.976 2.199 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -17.502 -6.233 2.111 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -18.608 -5.642 0.887 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -17.587 -4.198 3.367 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -17.818 -3.556 1.753 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -19.680 -3.221 3.784 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -20.112 -3.195 2.086 1.00 0.00 H new ATOM 571 N SER B 3 -18.762 -8.202 3.903 1.00 0.00 N ATOM 572 CA SER B 3 -18.261 -9.057 4.979 1.00 0.00 C ATOM 573 C SER B 3 -16.960 -9.756 4.571 1.00 0.00 C ATOM 574 O SER B 3 -16.063 -9.902 5.404 1.00 0.00 O ATOM 575 CB SER B 3 -19.329 -10.078 5.375 1.00 0.00 C ATOM 576 OG SER B 3 -20.511 -9.418 5.776 1.00 0.00 O ATOM 0 H SER B 3 -18.836 -8.697 3.014 1.00 0.00 H new ATOM 0 HA SER B 3 -18.038 -8.430 5.843 1.00 0.00 H new ATOM 0 HB2 SER B 3 -19.540 -10.739 4.534 1.00 0.00 H new ATOM 0 HB3 SER B 3 -18.960 -10.704 6.187 1.00 0.00 H new ATOM 0 HG SER B 3 -21.188 -10.082 6.025 1.00 0.00 H new ATOM 582 N GLN B 4 -16.865 -10.301 3.354 1.00 0.00 N ATOM 583 CA GLN B 4 -15.658 -10.971 2.856 1.00 0.00 C ATOM 584 C GLN B 4 -15.606 -10.940 1.312 1.00 0.00 C ATOM 585 O GLN B 4 -15.540 -11.998 0.676 1.00 0.00 O ATOM 586 CB GLN B 4 -15.534 -12.393 3.433 1.00 0.00 C ATOM 587 CG GLN B 4 -16.790 -13.248 3.236 1.00 0.00 C ATOM 588 CD GLN B 4 -16.515 -14.742 3.268 1.00 0.00 C ATOM 589 OE1 GLN B 4 -17.274 -15.487 3.873 1.00 0.00 O ATOM 590 NE2 GLN B 4 -15.649 -15.239 2.405 1.00 0.00 N ATOM 0 H GLN B 4 -17.631 -10.290 2.680 1.00 0.00 H new ATOM 0 HA GLN B 4 -14.785 -10.420 3.207 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -14.687 -12.894 2.964 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -15.314 -12.326 4.498 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -17.513 -13.003 4.014 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -17.249 -12.991 2.281 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -15.017 -14.617 1.901 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -15.612 -16.245 2.242 1.00 0.00 H new ATOM 599 N PRO B 5 -15.685 -9.753 0.680 1.00 0.00 N ATOM 600 CA PRO B 5 -15.644 -9.596 -0.771 1.00 0.00 C ATOM 601 C PRO B 5 -14.273 -9.996 -1.329 1.00 0.00 C ATOM 602 O PRO B 5 -13.448 -10.604 -0.641 1.00 0.00 O ATOM 603 CB PRO B 5 -15.986 -8.119 -1.016 1.00 0.00 C ATOM 604 CG PRO B 5 -15.418 -7.438 0.221 1.00 0.00 C ATOM 605 CD PRO B 5 -15.758 -8.444 1.311 1.00 0.00 C ATOM 0 HA PRO B 5 -16.350 -10.247 -1.287 1.00 0.00 H new ATOM 0 HB2 PRO B 5 -15.529 -7.743 -1.932 1.00 0.00 H new ATOM 0 HB3 PRO B 5 -17.061 -7.961 -1.108 1.00 0.00 H new ATOM 0 HG2 PRO B 5 -14.344 -7.271 0.139 1.00 0.00 H new ATOM 0 HG3 PRO B 5 -15.879 -6.467 0.402 1.00 0.00 H new ATOM 0 HD2 PRO B 5 -15.057 -8.371 2.143 1.00 0.00 H new ATOM 0 HD3 PRO B 5 -16.753 -8.260 1.716 1.00 0.00 H new ATOM 613 N THR B 6 -14.062 -9.752 -2.615 1.00 0.00 N ATOM 614 CA THR B 6 -12.823 -10.054 -3.306 1.00 0.00 C ATOM 615 C THR B 6 -12.339 -8.755 -3.940 1.00 0.00 C ATOM 616 O THR B 6 -13.135 -7.992 -4.496 1.00 0.00 O ATOM 617 CB THR B 6 -13.061 -11.220 -4.279 1.00 0.00 C ATOM 618 OG1 THR B 6 -11.850 -11.669 -4.846 1.00 0.00 O ATOM 619 CG2 THR B 6 -14.049 -10.916 -5.410 1.00 0.00 C ATOM 0 H THR B 6 -14.767 -9.328 -3.218 1.00 0.00 H new ATOM 0 HA THR B 6 -12.027 -10.401 -2.647 1.00 0.00 H new ATOM 0 HB THR B 6 -13.510 -11.998 -3.661 1.00 0.00 H new ATOM 0 HG1 THR B 6 -12.031 -12.412 -5.459 1.00 0.00 H new ATOM 0 HG21 THR B 6 -14.155 -11.795 -6.046 1.00 0.00 H new ATOM 0 HG22 THR B 6 -15.019 -10.656 -4.986 1.00 0.00 H new ATOM 0 HG23 THR B 6 -13.677 -10.081 -6.003 1.00 0.00 H new ATOM 627 N TYR B 7 -11.062 -8.455 -3.748 1.00 0.00 N ATOM 628 CA TYR B 7 -10.370 -7.282 -4.243 1.00 0.00 C ATOM 629 C TYR B 7 -8.954 -7.719 -4.608 1.00 0.00 C ATOM 630 O TYR B 7 -8.468 -8.700 -4.037 1.00 0.00 O ATOM 631 CB TYR B 7 -10.330 -6.215 -3.140 1.00 0.00 C ATOM 632 CG TYR B 7 -11.651 -5.515 -2.893 1.00 0.00 C ATOM 633 CD1 TYR B 7 -12.157 -4.634 -3.868 1.00 0.00 C ATOM 634 CD2 TYR B 7 -12.347 -5.691 -1.679 1.00 0.00 C ATOM 635 CE1 TYR B 7 -13.365 -3.954 -3.649 1.00 0.00 C ATOM 636 CE2 TYR B 7 -13.552 -4.998 -1.451 1.00 0.00 C ATOM 637 CZ TYR B 7 -14.076 -4.144 -2.448 1.00 0.00 C ATOM 638 OH TYR B 7 -15.281 -3.531 -2.292 1.00 0.00 O ATOM 0 H TYR B 7 -10.447 -9.064 -3.209 1.00 0.00 H new ATOM 0 HA TYR B 7 -10.874 -6.858 -5.112 1.00 0.00 H new ATOM 0 HB2 TYR B 7 -10.002 -6.683 -2.212 1.00 0.00 H new ATOM 0 HB3 TYR B 7 -9.581 -5.468 -3.402 1.00 0.00 H new ATOM 0 HD1 TYR B 7 -11.613 -4.481 -4.788 1.00 0.00 H new ATOM 0 HD2 TYR B 7 -11.956 -6.357 -0.924 1.00 0.00 H new ATOM 0 HE1 TYR B 7 -13.750 -3.284 -4.403 1.00 0.00 H new ATOM 0 HE2 TYR B 7 -14.076 -5.119 -0.514 1.00 0.00 H new ATOM 0 HH TYR B 7 -15.652 -3.757 -1.413 1.00 0.00 H new ATOM 648 N PRO B 8 -8.238 -6.971 -5.463 1.00 0.00 N ATOM 649 CA PRO B 8 -6.881 -7.338 -5.834 1.00 0.00 C ATOM 650 C PRO B 8 -5.933 -7.231 -4.636 1.00 0.00 C ATOM 651 O PRO B 8 -5.127 -8.138 -4.420 1.00 0.00 O ATOM 652 CB PRO B 8 -6.491 -6.375 -6.960 1.00 0.00 C ATOM 653 CG PRO B 8 -7.381 -5.156 -6.721 1.00 0.00 C ATOM 654 CD PRO B 8 -8.670 -5.792 -6.204 1.00 0.00 C ATOM 0 HA PRO B 8 -6.816 -8.375 -6.164 1.00 0.00 H new ATOM 0 HB2 PRO B 8 -5.434 -6.114 -6.915 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -6.669 -6.814 -7.942 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -6.945 -4.471 -5.994 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -7.546 -4.587 -7.636 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -9.221 -5.103 -5.563 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -9.333 -6.063 -7.025 1.00 0.00 H new ATOM 662 N GLY B 9 -6.183 -6.283 -3.727 1.00 0.00 N ATOM 663 CA GLY B 9 -5.335 -6.076 -2.567 1.00 0.00 C ATOM 664 C GLY B 9 -4.074 -5.335 -3.013 1.00 0.00 C ATOM 665 O GLY B 9 -3.978 -4.906 -4.166 1.00 0.00 O ATOM 0 H GLY B 9 -6.977 -5.645 -3.781 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -5.865 -5.499 -1.809 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -5.072 -7.032 -2.115 1.00 0.00 H new TER 669 GLY B 9 ATOM 670 N PRO D 11 7.424 -7.634 -8.324 1.00 0.00 N ATOM 671 CA PRO D 11 8.722 -7.018 -8.096 1.00 0.00 C ATOM 672 C PRO D 11 8.590 -5.642 -7.447 1.00 0.00 C ATOM 673 O PRO D 11 7.657 -4.908 -7.763 1.00 0.00 O ATOM 674 CB PRO D 11 9.376 -6.936 -9.480 1.00 0.00 C ATOM 675 CG PRO D 11 8.196 -6.907 -10.447 1.00 0.00 C ATOM 676 CD PRO D 11 7.154 -7.768 -9.747 1.00 0.00 C ATOM 0 HA PRO D 11 9.327 -7.600 -7.401 1.00 0.00 H new ATOM 0 HB2 PRO D 11 9.993 -6.043 -9.577 1.00 0.00 H new ATOM 0 HB3 PRO D 11 10.024 -7.793 -9.667 1.00 0.00 H new ATOM 0 HG2 PRO D 11 7.835 -5.892 -10.612 1.00 0.00 H new ATOM 0 HG3 PRO D 11 8.464 -7.312 -11.423 1.00 0.00 H new ATOM 0 HD2 PRO D 11 6.145 -7.434 -9.987 1.00 0.00 H new ATOM 0 HD3 PRO D 11 7.229 -8.808 -10.063 1.00 0.00 H new ATOM 684 N VAL D 12 9.598 -5.241 -6.663 1.00 0.00 N ATOM 685 CA VAL D 12 9.639 -3.948 -5.973 1.00 0.00 C ATOM 686 C VAL D 12 9.483 -2.799 -6.969 1.00 0.00 C ATOM 687 O VAL D 12 8.857 -1.802 -6.627 1.00 0.00 O ATOM 688 CB VAL D 12 10.922 -3.835 -5.115 1.00 0.00 C ATOM 689 CG1 VAL D 12 12.227 -3.974 -5.918 1.00 0.00 C ATOM 690 CG2 VAL D 12 11.007 -2.507 -4.343 1.00 0.00 C ATOM 0 H VAL D 12 10.422 -5.817 -6.488 1.00 0.00 H new ATOM 0 HA VAL D 12 8.795 -3.879 -5.287 1.00 0.00 H new ATOM 0 HB VAL D 12 10.833 -4.675 -4.426 1.00 0.00 H new ATOM 0 HG11 VAL D 12 13.080 -3.883 -5.245 1.00 0.00 H new ATOM 0 HG12 VAL D 12 12.252 -4.948 -6.406 1.00 0.00 H new ATOM 0 HG13 VAL D 12 12.275 -3.189 -6.673 1.00 0.00 H new ATOM 0 HG21 VAL D 12 11.927 -2.484 -3.759 1.00 0.00 H new ATOM 0 HG22 VAL D 12 11.004 -1.676 -5.048 1.00 0.00 H new ATOM 0 HG23 VAL D 12 10.151 -2.419 -3.674 1.00 0.00 H new ATOM 700 N GLU D 13 10.075 -2.902 -8.164 1.00 0.00 N ATOM 701 CA GLU D 13 9.977 -1.863 -9.180 1.00 0.00 C ATOM 702 C GLU D 13 8.510 -1.583 -9.500 1.00 0.00 C ATOM 703 O GLU D 13 8.090 -0.423 -9.468 1.00 0.00 O ATOM 704 CB GLU D 13 10.784 -2.265 -10.422 1.00 0.00 C ATOM 705 CG GLU D 13 10.368 -1.424 -11.636 1.00 0.00 C ATOM 706 CD GLU D 13 11.458 -1.316 -12.690 1.00 0.00 C ATOM 707 OE1 GLU D 13 11.997 -2.367 -13.092 1.00 0.00 O ATOM 708 OE2 GLU D 13 11.653 -0.195 -13.223 1.00 0.00 O ATOM 0 H GLU D 13 10.633 -3.708 -8.448 1.00 0.00 H new ATOM 0 HA GLU D 13 10.407 -0.935 -8.804 1.00 0.00 H new ATOM 0 HB2 GLU D 13 11.848 -2.132 -10.229 1.00 0.00 H new ATOM 0 HB3 GLU D 13 10.629 -3.323 -10.636 1.00 0.00 H new ATOM 0 HG2 GLU D 13 9.478 -1.863 -12.087 1.00 0.00 H new ATOM 0 HG3 GLU D 13 10.095 -0.423 -11.301 1.00 0.00 H new ATOM 715 N ASP D 14 7.769 -2.632 -9.853 1.00 0.00 N ATOM 716 CA ASP D 14 6.362 -2.501 -10.184 1.00 0.00 C ATOM 717 C ASP D 14 5.590 -2.088 -8.948 1.00 0.00 C ATOM 718 O ASP D 14 4.863 -1.106 -9.009 1.00 0.00 O ATOM 719 CB ASP D 14 5.798 -3.805 -10.738 1.00 0.00 C ATOM 720 CG ASP D 14 4.320 -3.629 -11.086 1.00 0.00 C ATOM 721 OD1 ASP D 14 3.473 -4.022 -10.259 1.00 0.00 O ATOM 722 OD2 ASP D 14 4.003 -3.476 -12.289 1.00 0.00 O ATOM 0 H ASP D 14 8.128 -3.585 -9.916 1.00 0.00 H new ATOM 0 HA ASP D 14 6.260 -1.738 -10.956 1.00 0.00 H new ATOM 0 HB2 ASP D 14 6.356 -4.104 -11.625 1.00 0.00 H new ATOM 0 HB3 ASP D 14 5.915 -4.602 -10.004 1.00 0.00 H new ATOM 727 N LEU D 15 5.871 -2.717 -7.801 1.00 0.00 N ATOM 728 CA LEU D 15 5.204 -2.437 -6.539 1.00 0.00 C ATOM 729 C LEU D 15 5.329 -0.967 -6.125 1.00 0.00 C ATOM 730 O LEU D 15 4.438 -0.476 -5.439 1.00 0.00 O ATOM 731 CB LEU D 15 5.616 -3.443 -5.452 1.00 0.00 C ATOM 732 CG LEU D 15 4.540 -3.565 -4.351 1.00 0.00 C ATOM 733 CD1 LEU D 15 3.283 -4.310 -4.806 1.00 0.00 C ATOM 734 CD2 LEU D 15 5.064 -4.362 -3.165 1.00 0.00 C ATOM 0 H LEU D 15 6.581 -3.446 -7.730 1.00 0.00 H new ATOM 0 HA LEU D 15 4.134 -2.586 -6.684 1.00 0.00 H new ATOM 0 HB2 LEU D 15 5.786 -4.420 -5.905 1.00 0.00 H new ATOM 0 HB3 LEU D 15 6.560 -3.130 -5.006 1.00 0.00 H new ATOM 0 HG LEU D 15 4.297 -2.534 -4.095 1.00 0.00 H new ATOM 0 HD11 LEU D 15 2.570 -4.358 -3.983 1.00 0.00 H new ATOM 0 HD12 LEU D 15 2.831 -3.782 -5.646 1.00 0.00 H new ATOM 0 HD13 LEU D 15 3.551 -5.321 -5.114 1.00 0.00 H new ATOM 0 HD21 LEU D 15 4.288 -4.434 -2.403 1.00 0.00 H new ATOM 0 HD22 LEU D 15 5.343 -5.363 -3.494 1.00 0.00 H new ATOM 0 HD23 LEU D 15 5.937 -3.861 -2.747 1.00 0.00 H new ATOM 746 N ILE D 16 6.400 -0.254 -6.495 1.00 0.00 N ATOM 747 CA ILE D 16 6.558 1.165 -6.169 1.00 0.00 C ATOM 748 C ILE D 16 5.478 1.933 -6.942 1.00 0.00 C ATOM 749 O ILE D 16 4.748 2.735 -6.358 1.00 0.00 O ATOM 750 CB ILE D 16 7.976 1.680 -6.543 1.00 0.00 C ATOM 751 CG1 ILE D 16 9.081 1.154 -5.601 1.00 0.00 C ATOM 752 CG2 ILE D 16 8.052 3.222 -6.524 1.00 0.00 C ATOM 753 CD1 ILE D 16 10.447 1.046 -6.292 1.00 0.00 C ATOM 0 H ILE D 16 7.178 -0.645 -7.027 1.00 0.00 H new ATOM 0 HA ILE D 16 6.446 1.317 -5.095 1.00 0.00 H new ATOM 0 HB ILE D 16 8.148 1.299 -7.550 1.00 0.00 H new ATOM 0 HG12 ILE D 16 9.165 1.818 -4.740 1.00 0.00 H new ATOM 0 HG13 ILE D 16 8.792 0.174 -5.221 1.00 0.00 H new ATOM 0 HG21 ILE D 16 9.060 3.540 -6.791 1.00 0.00 H new ATOM 0 HG22 ILE D 16 7.341 3.630 -7.242 1.00 0.00 H new ATOM 0 HG23 ILE D 16 7.809 3.586 -5.526 1.00 0.00 H new ATOM 0 HD11 ILE D 16 11.185 0.671 -5.583 1.00 0.00 H new ATOM 0 HD12 ILE D 16 10.374 0.360 -7.136 1.00 0.00 H new ATOM 0 HD13 ILE D 16 10.753 2.029 -6.649 1.00 0.00 H new ATOM 765 N ARG D 17 5.467 1.773 -8.269 1.00 0.00 N ATOM 766 CA ARG D 17 4.536 2.438 -9.174 1.00 0.00 C ATOM 767 C ARG D 17 3.093 2.056 -8.844 1.00 0.00 C ATOM 768 O ARG D 17 2.240 2.932 -8.697 1.00 0.00 O ATOM 769 CB ARG D 17 4.961 2.095 -10.617 1.00 0.00 C ATOM 770 CG ARG D 17 4.520 3.144 -11.645 1.00 0.00 C ATOM 771 CD ARG D 17 5.223 2.909 -12.991 1.00 0.00 C ATOM 772 NE ARG D 17 4.846 3.947 -13.962 1.00 0.00 N ATOM 773 CZ ARG D 17 5.632 4.628 -14.804 1.00 0.00 C ATOM 774 NH1 ARG D 17 6.932 4.376 -14.908 1.00 0.00 N ATOM 775 NH2 ARG D 17 5.101 5.590 -15.543 1.00 0.00 N ATOM 0 H ARG D 17 6.124 1.160 -8.752 1.00 0.00 H new ATOM 0 HA ARG D 17 4.571 3.521 -9.058 1.00 0.00 H new ATOM 0 HB2 ARG D 17 6.046 1.993 -10.654 1.00 0.00 H new ATOM 0 HB3 ARG D 17 4.540 1.128 -10.892 1.00 0.00 H new ATOM 0 HG2 ARG D 17 3.439 3.098 -11.780 1.00 0.00 H new ATOM 0 HG3 ARG D 17 4.753 4.143 -11.276 1.00 0.00 H new ATOM 0 HD2 ARG D 17 6.304 2.913 -12.848 1.00 0.00 H new ATOM 0 HD3 ARG D 17 4.956 1.926 -13.380 1.00 0.00 H new ATOM 0 HE ARG D 17 3.853 4.179 -13.999 1.00 0.00 H new ATOM 0 HH11 ARG D 17 7.357 3.646 -14.337 1.00 0.00 H new ATOM 0 HH12 ARG D 17 7.505 4.913 -15.559 1.00 0.00 H new ATOM 0 HH21 ARG D 17 4.106 5.803 -15.466 1.00 0.00 H new ATOM 0 HH22 ARG D 17 5.687 6.118 -16.190 1.00 0.00 H new ATOM 789 N PHE D 18 2.860 0.764 -8.645 1.00 0.00 N ATOM 790 CA PHE D 18 1.604 0.120 -8.313 1.00 0.00 C ATOM 791 C PHE D 18 1.016 0.676 -7.024 1.00 0.00 C ATOM 792 O PHE D 18 -0.137 1.086 -7.052 1.00 0.00 O ATOM 793 CB PHE D 18 1.873 -1.384 -8.179 1.00 0.00 C ATOM 794 CG PHE D 18 0.823 -2.219 -7.474 1.00 0.00 C ATOM 795 CD1 PHE D 18 0.838 -2.357 -6.073 1.00 0.00 C ATOM 796 CD2 PHE D 18 -0.110 -2.945 -8.224 1.00 0.00 C ATOM 797 CE1 PHE D 18 -0.080 -3.204 -5.434 1.00 0.00 C ATOM 798 CE2 PHE D 18 -1.060 -3.756 -7.582 1.00 0.00 C ATOM 799 CZ PHE D 18 -1.052 -3.883 -6.185 1.00 0.00 C ATOM 0 H PHE D 18 3.616 0.084 -8.720 1.00 0.00 H new ATOM 0 HA PHE D 18 0.874 0.311 -9.099 1.00 0.00 H new ATOM 0 HB2 PHE D 18 2.012 -1.792 -9.180 1.00 0.00 H new ATOM 0 HB3 PHE D 18 2.817 -1.512 -7.649 1.00 0.00 H new ATOM 0 HD1 PHE D 18 1.560 -1.808 -5.487 1.00 0.00 H new ATOM 0 HD2 PHE D 18 -0.099 -2.881 -9.302 1.00 0.00 H new ATOM 0 HE1 PHE D 18 -0.039 -3.334 -4.363 1.00 0.00 H new ATOM 0 HE2 PHE D 18 -1.799 -4.284 -8.166 1.00 0.00 H new ATOM 0 HZ PHE D 18 -1.789 -4.499 -5.691 1.00 0.00 H new ATOM 809 N TYR D 19 1.784 0.721 -5.925 1.00 0.00 N ATOM 810 CA TYR D 19 1.344 1.206 -4.614 1.00 0.00 C ATOM 811 C TYR D 19 0.736 2.603 -4.680 1.00 0.00 C ATOM 812 O TYR D 19 -0.199 2.911 -3.939 1.00 0.00 O ATOM 813 CB TYR D 19 2.543 1.197 -3.649 1.00 0.00 C ATOM 814 CG TYR D 19 2.320 1.907 -2.324 1.00 0.00 C ATOM 815 CD1 TYR D 19 2.522 3.299 -2.230 1.00 0.00 C ATOM 816 CD2 TYR D 19 1.941 1.178 -1.182 1.00 0.00 C ATOM 817 CE1 TYR D 19 2.282 3.969 -1.017 1.00 0.00 C ATOM 818 CE2 TYR D 19 1.719 1.841 0.041 1.00 0.00 C ATOM 819 CZ TYR D 19 1.857 3.246 0.122 1.00 0.00 C ATOM 820 OH TYR D 19 1.571 3.922 1.272 1.00 0.00 O ATOM 0 H TYR D 19 2.756 0.411 -5.927 1.00 0.00 H new ATOM 0 HA TYR D 19 0.560 0.539 -4.256 1.00 0.00 H new ATOM 0 HB2 TYR D 19 2.816 0.162 -3.445 1.00 0.00 H new ATOM 0 HB3 TYR D 19 3.394 1.658 -4.150 1.00 0.00 H new ATOM 0 HD1 TYR D 19 2.862 3.853 -3.092 1.00 0.00 H new ATOM 0 HD2 TYR D 19 1.820 0.107 -1.243 1.00 0.00 H new ATOM 0 HE1 TYR D 19 2.423 5.038 -0.955 1.00 0.00 H new ATOM 0 HE2 TYR D 19 1.443 1.275 0.918 1.00 0.00 H new ATOM 0 HH TYR D 19 1.064 3.340 1.876 1.00 0.00 H new ATOM 830 N ASN D 20 1.313 3.455 -5.524 1.00 0.00 N ATOM 831 CA ASN D 20 0.872 4.823 -5.704 1.00 0.00 C ATOM 832 C ASN D 20 -0.493 4.851 -6.375 1.00 0.00 C ATOM 833 O ASN D 20 -1.405 5.493 -5.868 1.00 0.00 O ATOM 834 CB ASN D 20 1.920 5.559 -6.547 1.00 0.00 C ATOM 835 CG ASN D 20 1.941 7.055 -6.307 1.00 0.00 C ATOM 836 OD1 ASN D 20 0.970 7.666 -5.874 1.00 0.00 O ATOM 837 ND2 ASN D 20 3.053 7.682 -6.637 1.00 0.00 N ATOM 0 H ASN D 20 2.111 3.204 -6.107 1.00 0.00 H new ATOM 0 HA ASN D 20 0.771 5.320 -4.739 1.00 0.00 H new ATOM 0 HB2 ASN D 20 2.906 5.149 -6.327 1.00 0.00 H new ATOM 0 HB3 ASN D 20 1.725 5.370 -7.603 1.00 0.00 H new ATOM 0 HD21 ASN D 20 3.117 8.695 -6.534 1.00 0.00 H new ATOM 0 HD22 ASN D 20 3.849 7.154 -6.995 1.00 0.00 H new ATOM 844 N ASP D 21 -0.658 4.146 -7.497 1.00 0.00 N ATOM 845 CA ASP D 21 -1.937 4.112 -8.211 1.00 0.00 C ATOM 846 C ASP D 21 -2.994 3.324 -7.434 1.00 0.00 C ATOM 847 O ASP D 21 -4.182 3.654 -7.502 1.00 0.00 O ATOM 848 CB ASP D 21 -1.756 3.563 -9.635 1.00 0.00 C ATOM 849 CG ASP D 21 -1.417 4.692 -10.603 1.00 0.00 C ATOM 850 OD1 ASP D 21 -0.211 4.995 -10.763 1.00 0.00 O ATOM 851 OD2 ASP D 21 -2.333 5.481 -10.934 1.00 0.00 O ATOM 0 H ASP D 21 0.079 3.590 -7.931 1.00 0.00 H new ATOM 0 HA ASP D 21 -2.299 5.137 -8.294 1.00 0.00 H new ATOM 0 HB2 ASP D 21 -0.962 2.816 -9.645 1.00 0.00 H new ATOM 0 HB3 ASP D 21 -2.669 3.062 -9.957 1.00 0.00 H new ATOM 856 N LEU D 22 -2.559 2.387 -6.586 1.00 0.00 N ATOM 857 CA LEU D 22 -3.388 1.538 -5.742 1.00 0.00 C ATOM 858 C LEU D 22 -4.160 2.382 -4.730 1.00 0.00 C ATOM 859 O LEU D 22 -5.143 1.889 -4.187 1.00 0.00 O ATOM 860 CB LEU D 22 -2.488 0.511 -5.023 1.00 0.00 C ATOM 861 CG LEU D 22 -3.192 -0.454 -4.051 1.00 0.00 C ATOM 862 CD1 LEU D 22 -4.030 -1.495 -4.799 1.00 0.00 C ATOM 863 CD2 LEU D 22 -2.158 -1.131 -3.156 1.00 0.00 C ATOM 0 H LEU D 22 -1.564 2.194 -6.468 1.00 0.00 H new ATOM 0 HA LEU D 22 -4.115 1.010 -6.359 1.00 0.00 H new ATOM 0 HB2 LEU D 22 -1.973 -0.081 -5.780 1.00 0.00 H new ATOM 0 HB3 LEU D 22 -1.723 1.055 -4.470 1.00 0.00 H new ATOM 0 HG LEU D 22 -3.876 0.124 -3.430 1.00 0.00 H new ATOM 0 HD11 LEU D 22 -4.512 -2.158 -4.081 1.00 0.00 H new ATOM 0 HD12 LEU D 22 -4.791 -0.990 -5.394 1.00 0.00 H new ATOM 0 HD13 LEU D 22 -3.384 -2.078 -5.455 1.00 0.00 H new ATOM 0 HD21 LEU D 22 -2.661 -1.813 -2.470 1.00 0.00 H new ATOM 0 HD22 LEU D 22 -1.454 -1.690 -3.772 1.00 0.00 H new ATOM 0 HD23 LEU D 22 -1.619 -0.374 -2.586 1.00 0.00 H new ATOM 875 N GLN D 23 -3.803 3.653 -4.507 1.00 0.00 N ATOM 876 CA GLN D 23 -4.482 4.541 -3.567 1.00 0.00 C ATOM 877 C GLN D 23 -6.005 4.552 -3.778 1.00 0.00 C ATOM 878 O GLN D 23 -6.765 4.627 -2.810 1.00 0.00 O ATOM 879 CB GLN D 23 -3.845 5.937 -3.643 1.00 0.00 C ATOM 880 CG GLN D 23 -4.150 6.724 -4.929 1.00 0.00 C ATOM 881 CD GLN D 23 -3.444 8.076 -4.911 1.00 0.00 C ATOM 882 OE1 GLN D 23 -4.041 9.098 -4.577 1.00 0.00 O ATOM 883 NE2 GLN D 23 -2.150 8.112 -5.151 1.00 0.00 N ATOM 0 H GLN D 23 -3.019 4.097 -4.986 1.00 0.00 H new ATOM 0 HA GLN D 23 -4.346 4.165 -2.553 1.00 0.00 H new ATOM 0 HB2 GLN D 23 -4.185 6.522 -2.788 1.00 0.00 H new ATOM 0 HB3 GLN D 23 -2.764 5.832 -3.547 1.00 0.00 H new ATOM 0 HG2 GLN D 23 -3.827 6.151 -5.798 1.00 0.00 H new ATOM 0 HG3 GLN D 23 -5.226 6.871 -5.026 1.00 0.00 H new ATOM 0 HE21 GLN D 23 -1.659 7.262 -5.428 1.00 0.00 H new ATOM 0 HE22 GLN D 23 -1.639 8.990 -5.060 1.00 0.00 H new ATOM 892 N GLN D 24 -6.447 4.361 -5.027 1.00 0.00 N ATOM 893 CA GLN D 24 -7.852 4.319 -5.420 1.00 0.00 C ATOM 894 C GLN D 24 -8.615 3.143 -4.793 1.00 0.00 C ATOM 895 O GLN D 24 -9.831 3.232 -4.638 1.00 0.00 O ATOM 896 CB GLN D 24 -7.959 4.249 -6.953 1.00 0.00 C ATOM 897 CG GLN D 24 -7.558 5.559 -7.645 1.00 0.00 C ATOM 898 CD GLN D 24 -8.529 6.689 -7.325 1.00 0.00 C ATOM 899 OE1 GLN D 24 -8.382 7.383 -6.320 1.00 0.00 O ATOM 900 NE2 GLN D 24 -9.559 6.881 -8.131 1.00 0.00 N ATOM 0 H GLN D 24 -5.812 4.228 -5.814 1.00 0.00 H new ATOM 0 HA GLN D 24 -8.315 5.233 -5.047 1.00 0.00 H new ATOM 0 HB2 GLN D 24 -7.324 3.442 -7.319 1.00 0.00 H new ATOM 0 HB3 GLN D 24 -8.983 3.998 -7.229 1.00 0.00 H new ATOM 0 HG2 GLN D 24 -6.554 5.843 -7.331 1.00 0.00 H new ATOM 0 HG3 GLN D 24 -7.523 5.404 -8.723 1.00 0.00 H new ATOM 0 HE21 GLN D 24 -9.672 6.300 -8.962 1.00 0.00 H new ATOM 0 HE22 GLN D 24 -10.241 7.610 -7.922 1.00 0.00 H new ATOM 909 N TYR D 25 -7.945 2.041 -4.450 1.00 0.00 N ATOM 910 CA TYR D 25 -8.571 0.875 -3.843 1.00 0.00 C ATOM 911 C TYR D 25 -9.134 1.264 -2.475 1.00 0.00 C ATOM 912 O TYR D 25 -10.357 1.320 -2.317 1.00 0.00 O ATOM 913 CB TYR D 25 -7.578 -0.297 -3.793 1.00 0.00 C ATOM 914 CG TYR D 25 -8.000 -1.481 -2.946 1.00 0.00 C ATOM 915 CD1 TYR D 25 -9.348 -1.888 -2.885 1.00 0.00 C ATOM 916 CD2 TYR D 25 -7.032 -2.150 -2.175 1.00 0.00 C ATOM 917 CE1 TYR D 25 -9.733 -2.928 -2.027 1.00 0.00 C ATOM 918 CE2 TYR D 25 -7.403 -3.218 -1.345 1.00 0.00 C ATOM 919 CZ TYR D 25 -8.758 -3.610 -1.270 1.00 0.00 C ATOM 920 OH TYR D 25 -9.115 -4.596 -0.406 1.00 0.00 O ATOM 0 H TYR D 25 -6.940 1.937 -4.590 1.00 0.00 H new ATOM 0 HA TYR D 25 -9.410 0.528 -4.447 1.00 0.00 H new ATOM 0 HB2 TYR D 25 -7.404 -0.646 -4.811 1.00 0.00 H new ATOM 0 HB3 TYR D 25 -6.625 0.074 -3.416 1.00 0.00 H new ATOM 0 HD1 TYR D 25 -10.087 -1.397 -3.501 1.00 0.00 H new ATOM 0 HD2 TYR D 25 -5.999 -1.840 -2.222 1.00 0.00 H new ATOM 0 HE1 TYR D 25 -10.773 -3.206 -1.946 1.00 0.00 H new ATOM 0 HE2 TYR D 25 -6.655 -3.739 -0.765 1.00 0.00 H new ATOM 0 HH TYR D 25 -9.994 -4.949 -0.658 1.00 0.00 H new ATOM 930 N LEU D 26 -8.271 1.607 -1.507 1.00 0.00 N ATOM 931 CA LEU D 26 -8.708 2.008 -0.168 1.00 0.00 C ATOM 932 C LEU D 26 -9.575 3.271 -0.235 1.00 0.00 C ATOM 933 O LEU D 26 -10.439 3.459 0.630 1.00 0.00 O ATOM 934 CB LEU D 26 -7.508 2.149 0.781 1.00 0.00 C ATOM 935 CG LEU D 26 -6.978 0.783 1.270 1.00 0.00 C ATOM 936 CD1 LEU D 26 -5.562 0.900 1.831 1.00 0.00 C ATOM 937 CD2 LEU D 26 -7.858 0.214 2.386 1.00 0.00 C ATOM 0 H LEU D 26 -7.259 1.613 -1.632 1.00 0.00 H new ATOM 0 HA LEU D 26 -9.338 1.222 0.249 1.00 0.00 H new ATOM 0 HB2 LEU D 26 -6.707 2.685 0.272 1.00 0.00 H new ATOM 0 HB3 LEU D 26 -7.798 2.752 1.641 1.00 0.00 H new ATOM 0 HG LEU D 26 -6.988 0.126 0.400 1.00 0.00 H new ATOM 0 HD11 LEU D 26 -5.221 -0.080 2.166 1.00 0.00 H new ATOM 0 HD12 LEU D 26 -4.893 1.272 1.055 1.00 0.00 H new ATOM 0 HD13 LEU D 26 -5.560 1.592 2.673 1.00 0.00 H new ATOM 0 HD21 LEU D 26 -7.459 -0.748 2.709 1.00 0.00 H new ATOM 0 HD22 LEU D 26 -7.868 0.905 3.229 1.00 0.00 H new ATOM 0 HD23 LEU D 26 -8.874 0.079 2.015 1.00 0.00 H new ATOM 949 N ASN D 27 -9.415 4.103 -1.276 1.00 0.00 N ATOM 950 CA ASN D 27 -10.215 5.310 -1.468 1.00 0.00 C ATOM 951 C ASN D 27 -11.675 4.884 -1.610 1.00 0.00 C ATOM 952 O ASN D 27 -12.508 5.352 -0.839 1.00 0.00 O ATOM 953 CB ASN D 27 -9.767 6.104 -2.707 1.00 0.00 C ATOM 954 CG ASN D 27 -10.523 7.420 -2.879 1.00 0.00 C ATOM 955 OD1 ASN D 27 -11.747 7.458 -2.998 1.00 0.00 O ATOM 956 ND2 ASN D 27 -9.803 8.522 -2.944 1.00 0.00 N ATOM 0 H ASN D 27 -8.722 3.951 -2.009 1.00 0.00 H new ATOM 0 HA ASN D 27 -10.084 5.969 -0.610 1.00 0.00 H new ATOM 0 HB2 ASN D 27 -8.700 6.312 -2.632 1.00 0.00 H new ATOM 0 HB3 ASN D 27 -9.910 5.490 -3.596 1.00 0.00 H new ATOM 0 HD21 ASN D 27 -10.260 9.421 -3.095 1.00 0.00 H new ATOM 0 HD22 ASN D 27 -8.789 8.475 -2.844 1.00 0.00 H new ATOM 963 N VAL D 28 -11.971 3.946 -2.515 1.00 0.00 N ATOM 964 CA VAL D 28 -13.314 3.436 -2.776 1.00 0.00 C ATOM 965 C VAL D 28 -13.918 2.750 -1.543 1.00 0.00 C ATOM 966 O VAL D 28 -14.991 3.174 -1.106 1.00 0.00 O ATOM 967 CB VAL D 28 -13.287 2.523 -4.026 1.00 0.00 C ATOM 968 CG1 VAL D 28 -14.591 1.738 -4.245 1.00 0.00 C ATOM 969 CG2 VAL D 28 -13.042 3.353 -5.297 1.00 0.00 C ATOM 0 H VAL D 28 -11.260 3.510 -3.102 1.00 0.00 H new ATOM 0 HA VAL D 28 -13.977 4.274 -2.989 1.00 0.00 H new ATOM 0 HB VAL D 28 -12.479 1.815 -3.841 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -14.498 1.121 -5.138 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -14.781 1.101 -3.382 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -15.419 2.436 -4.370 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -13.026 2.694 -6.165 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -13.840 4.086 -5.412 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -12.085 3.869 -5.216 1.00 0.00 H new ATOM 979 N VAL D 29 -13.250 1.766 -0.923 1.00 0.00 N ATOM 980 CA VAL D 29 -13.801 1.058 0.243 1.00 0.00 C ATOM 981 C VAL D 29 -14.100 1.952 1.458 1.00 0.00 C ATOM 982 O VAL D 29 -14.963 1.611 2.274 1.00 0.00 O ATOM 983 CB VAL D 29 -12.934 -0.161 0.629 1.00 0.00 C ATOM 984 CG1 VAL D 29 -13.142 -1.327 -0.341 1.00 0.00 C ATOM 985 CG2 VAL D 29 -11.439 0.085 0.706 1.00 0.00 C ATOM 0 H VAL D 29 -12.326 1.442 -1.210 1.00 0.00 H new ATOM 0 HA VAL D 29 -14.777 0.698 -0.083 1.00 0.00 H new ATOM 0 HB VAL D 29 -13.283 -0.390 1.636 1.00 0.00 H new ATOM 0 HG11 VAL D 29 -12.517 -2.167 -0.039 1.00 0.00 H new ATOM 0 HG12 VAL D 29 -14.189 -1.630 -0.326 1.00 0.00 H new ATOM 0 HG13 VAL D 29 -12.869 -1.015 -1.349 1.00 0.00 H new ATOM 0 HG21 VAL D 29 -10.932 -0.839 0.985 1.00 0.00 H new ATOM 0 HG22 VAL D 29 -11.075 0.420 -0.265 1.00 0.00 H new ATOM 0 HG23 VAL D 29 -11.234 0.851 1.454 1.00 0.00 H new ATOM 995 N THR D 30 -13.527 3.153 1.529 1.00 0.00 N ATOM 996 CA THR D 30 -13.755 4.071 2.644 1.00 0.00 C ATOM 997 C THR D 30 -14.379 5.392 2.215 1.00 0.00 C ATOM 998 O THR D 30 -14.756 6.199 3.070 1.00 0.00 O ATOM 999 CB THR D 30 -12.427 4.300 3.375 1.00 0.00 C ATOM 1000 OG1 THR D 30 -11.540 5.004 2.526 1.00 0.00 O ATOM 1001 CG2 THR D 30 -11.780 2.990 3.842 1.00 0.00 C ATOM 0 H THR D 30 -12.893 3.516 0.817 1.00 0.00 H new ATOM 0 HA THR D 30 -14.480 3.611 3.316 1.00 0.00 H new ATOM 0 HB THR D 30 -12.638 4.886 4.269 1.00 0.00 H new ATOM 0 HG1 THR D 30 -11.244 4.415 1.801 1.00 0.00 H new ATOM 0 HG21 THR D 30 -10.843 3.209 4.353 1.00 0.00 H new ATOM 0 HG22 THR D 30 -12.455 2.475 4.526 1.00 0.00 H new ATOM 0 HG23 THR D 30 -11.582 2.354 2.979 1.00 0.00 H new ATOM 1009 N ARG D 31 -14.631 5.547 0.916 1.00 0.00 N ATOM 1010 CA ARG D 31 -15.143 6.752 0.277 1.00 0.00 C ATOM 1011 C ARG D 31 -14.311 7.932 0.796 1.00 0.00 C ATOM 1012 O ARG D 31 -14.850 8.957 1.224 1.00 0.00 O ATOM 1013 CB ARG D 31 -16.662 6.904 0.383 1.00 0.00 C ATOM 1014 CG ARG D 31 -17.140 7.927 -0.665 1.00 0.00 C ATOM 1015 CD ARG D 31 -18.531 8.481 -0.380 1.00 0.00 C ATOM 1016 NE ARG D 31 -19.562 7.453 -0.527 1.00 0.00 N ATOM 1017 CZ ARG D 31 -20.668 7.297 0.201 1.00 0.00 C ATOM 1018 NH1 ARG D 31 -20.780 7.814 1.423 1.00 0.00 N ATOM 1019 NH2 ARG D 31 -21.658 6.602 -0.337 1.00 0.00 N ATOM 0 H ARG D 31 -14.474 4.793 0.248 1.00 0.00 H new ATOM 0 HA ARG D 31 -15.017 6.699 -0.804 1.00 0.00 H new ATOM 0 HB2 ARG D 31 -17.149 5.942 0.219 1.00 0.00 H new ATOM 0 HB3 ARG D 31 -16.938 7.234 1.384 1.00 0.00 H new ATOM 0 HG2 ARG D 31 -16.430 8.753 -0.706 1.00 0.00 H new ATOM 0 HG3 ARG D 31 -17.139 7.456 -1.648 1.00 0.00 H new ATOM 0 HD2 ARG D 31 -18.562 8.885 0.632 1.00 0.00 H new ATOM 0 HD3 ARG D 31 -18.740 9.307 -1.060 1.00 0.00 H new ATOM 0 HE ARG D 31 -19.417 6.775 -1.275 1.00 0.00 H new ATOM 0 HH11 ARG D 31 -20.008 8.345 1.825 1.00 0.00 H new ATOM 0 HH12 ARG D 31 -21.638 7.679 1.957 1.00 0.00 H new ATOM 0 HH21 ARG D 31 -21.556 6.210 -1.273 1.00 0.00 H new ATOM 0 HH22 ARG D 31 -22.522 6.458 0.185 1.00 0.00 H new ATOM 1033 N HIS D 32 -12.988 7.726 0.807 1.00 0.00 N ATOM 1034 CA HIS D 32 -11.943 8.629 1.262 1.00 0.00 C ATOM 1035 C HIS D 32 -12.381 9.320 2.559 1.00 0.00 C ATOM 1036 O HIS D 32 -12.632 10.529 2.591 1.00 0.00 O ATOM 1037 CB HIS D 32 -11.521 9.563 0.115 1.00 0.00 C ATOM 1038 CG HIS D 32 -10.371 10.503 0.403 1.00 0.00 C ATOM 1039 ND1 HIS D 32 -9.394 10.368 1.370 1.00 0.00 N ATOM 1040 CD2 HIS D 32 -10.100 11.655 -0.291 1.00 0.00 C ATOM 1041 CE1 HIS D 32 -8.568 11.420 1.268 1.00 0.00 C ATOM 1042 NE2 HIS D 32 -8.962 12.240 0.279 1.00 0.00 N ATOM 0 H HIS D 32 -12.597 6.847 0.468 1.00 0.00 H new ATOM 0 HA HIS D 32 -11.036 8.086 1.527 1.00 0.00 H new ATOM 0 HB2 HIS D 32 -11.254 8.949 -0.745 1.00 0.00 H new ATOM 0 HB3 HIS D 32 -12.386 10.160 -0.176 1.00 0.00 H new ATOM 0 HD1 HIS D 32 -9.315 9.605 2.042 1.00 0.00 H new ATOM 0 HD2 HIS D 32 -10.663 12.042 -1.127 1.00 0.00 H new ATOM 0 HE1 HIS D 32 -7.704 11.585 1.895 1.00 0.00 H new ATOM 1050 N ARG D 33 -12.498 8.536 3.639 1.00 0.00 N ATOM 1051 CA ARG D 33 -12.898 9.021 4.969 1.00 0.00 C ATOM 1052 C ARG D 33 -11.869 8.649 6.041 1.00 0.00 C ATOM 1053 O ARG D 33 -12.158 8.765 7.234 1.00 0.00 O ATOM 1054 CB ARG D 33 -14.338 8.550 5.286 1.00 0.00 C ATOM 1055 CG ARG D 33 -14.985 9.309 6.466 1.00 0.00 C ATOM 1056 CD ARG D 33 -16.510 9.410 6.425 1.00 0.00 C ATOM 1057 NE ARG D 33 -17.142 8.107 6.203 1.00 0.00 N ATOM 1058 CZ ARG D 33 -18.449 7.890 6.059 1.00 0.00 C ATOM 1059 NH1 ARG D 33 -19.349 8.844 6.298 1.00 0.00 N ATOM 1060 NH2 ARG D 33 -18.826 6.695 5.637 1.00 0.00 N ATOM 0 H ARG D 33 -12.315 7.533 3.614 1.00 0.00 H new ATOM 0 HA ARG D 33 -12.915 10.111 4.968 1.00 0.00 H new ATOM 0 HB2 ARG D 33 -14.958 8.677 4.398 1.00 0.00 H new ATOM 0 HB3 ARG D 33 -14.322 7.484 5.514 1.00 0.00 H new ATOM 0 HG2 ARG D 33 -14.695 8.817 7.395 1.00 0.00 H new ATOM 0 HG3 ARG D 33 -14.572 10.317 6.497 1.00 0.00 H new ATOM 0 HD2 ARG D 33 -16.870 9.832 7.363 1.00 0.00 H new ATOM 0 HD3 ARG D 33 -16.806 10.096 5.632 1.00 0.00 H new ATOM 0 HE ARG D 33 -16.528 7.294 6.154 1.00 0.00 H new ATOM 0 HH11 ARG D 33 -19.044 9.769 6.600 1.00 0.00 H new ATOM 0 HH12 ARG D 33 -20.343 8.649 6.179 1.00 0.00 H new ATOM 0 HH21 ARG D 33 -18.126 5.981 5.435 1.00 0.00 H new ATOM 0 HH22 ARG D 33 -19.817 6.487 5.513 1.00 0.00 H new ATOM 1074 N TYR D 34 -10.692 8.158 5.651 1.00 0.00 N ATOM 1075 CA TYR D 34 -9.634 7.773 6.574 1.00 0.00 C ATOM 1076 C TYR D 34 -8.951 8.978 7.232 1.00 0.00 C ATOM 1077 O TYR D 34 -8.296 8.829 8.256 1.00 0.00 O ATOM 1078 CB TYR D 34 -8.617 6.883 5.848 1.00 0.00 C ATOM 1079 CG TYR D 34 -8.318 7.209 4.390 1.00 0.00 C ATOM 1080 CD1 TYR D 34 -7.508 8.302 4.020 1.00 0.00 C ATOM 1081 CD2 TYR D 34 -8.822 6.358 3.393 1.00 0.00 C ATOM 1082 CE1 TYR D 34 -7.188 8.518 2.662 1.00 0.00 C ATOM 1083 CE2 TYR D 34 -8.523 6.576 2.040 1.00 0.00 C ATOM 1084 CZ TYR D 34 -7.686 7.648 1.664 1.00 0.00 C ATOM 1085 OH TYR D 34 -7.408 7.828 0.340 1.00 0.00 O ATOM 0 H TYR D 34 -10.448 8.016 4.671 1.00 0.00 H new ATOM 0 HA TYR D 34 -10.092 7.209 7.387 1.00 0.00 H new ATOM 0 HB2 TYR D 34 -7.679 6.922 6.402 1.00 0.00 H new ATOM 0 HB3 TYR D 34 -8.973 5.854 5.897 1.00 0.00 H new ATOM 0 HD1 TYR D 34 -7.132 8.975 4.776 1.00 0.00 H new ATOM 0 HD2 TYR D 34 -9.449 5.524 3.672 1.00 0.00 H new ATOM 0 HE1 TYR D 34 -6.560 9.351 2.384 1.00 0.00 H new ATOM 0 HE2 TYR D 34 -8.934 5.922 1.285 1.00 0.00 H new ATOM 0 HH TYR D 34 -7.843 7.123 -0.184 1.00 0.00 H new HETATM 1095 N NH2 D 35 -9.147 10.202 6.768 1.00 0.00 N TER 1098 NH2 D 35 HETATM 1099 N ZAB A 10 3.160 -5.633 2.335 1.00 0.00 N HETATM 1100 CA ZAB A 10 1.853 -5.052 2.597 1.00 0.00 C HETATM 1101 CB ZAB A 10 0.955 -6.068 3.280 1.00 0.00 C HETATM 1102 CG2 ZAB A 10 -0.167 -6.593 2.619 1.00 0.00 C HETATM 1103 CD2 ZAB A 10 -0.993 -7.538 3.265 1.00 0.00 C HETATM 1104 CE ZAB A 10 -0.699 -7.942 4.582 1.00 0.00 C HETATM 1105 CD1 ZAB A 10 0.426 -7.414 5.237 1.00 0.00 C HETATM 1106 CG1 ZAB A 10 1.260 -6.496 4.588 1.00 0.00 C HETATM 1107 NG ZAB A 10 0.730 -7.799 6.531 1.00 0.00 N HETATM 1108 NI ZAB A 10 0.087 -7.630 7.640 1.00 0.00 N HETATM 1109 CI ZAB A 10 -1.113 -6.997 7.888 1.00 0.00 C HETATM 1110 CJ2 ZAB A 10 -1.190 -5.595 7.842 1.00 0.00 C HETATM 1111 CK2 ZAB A 10 -2.415 -4.961 8.087 1.00 0.00 C HETATM 1112 CL ZAB A 10 -3.569 -5.726 8.352 1.00 0.00 C HETATM 1113 CK1 ZAB A 10 -3.482 -7.128 8.429 1.00 0.00 C HETATM 1114 CJ1 ZAB A 10 -2.247 -7.761 8.202 1.00 0.00 C HETATM 1115 CM ZAB A 10 -4.683 -7.966 8.835 1.00 0.00 C HETATM 1116 C ZAB A 10 -6.016 -7.546 8.212 1.00 0.00 C HETATM 1117 O ZAB A 10 -6.092 -7.487 6.978 1.00 0.00 O HETATM 0 HM3 ZAB A 10 -4.487 -9.004 8.568 1.00 0.00 H new HETATM 0 HM2 ZAB A 10 -4.781 -7.929 9.920 1.00 0.00 H new HETATM 0 HL ZAB A 10 -4.529 -5.231 8.497 1.00 0.00 H new HETATM 0 HK2 ZAB A 10 -2.476 -3.873 8.073 1.00 0.00 H new HETATM 0 HJ2 ZAB A 10 -0.302 -5.004 7.617 1.00 0.00 H new HETATM 0 HJ1 ZAB A 10 -2.171 -8.846 8.270 1.00 0.00 H new HETATM 0 HG2 ZAB A 10 -0.401 -6.270 1.605 1.00 0.00 H new HETATM 0 HG1 ZAB A 10 2.146 -6.112 5.094 1.00 0.00 H new HETATM 0 HE ZAB A 10 -1.341 -8.661 5.091 1.00 0.00 H new HETATM 0 HD2 ZAB A 10 -1.856 -7.954 2.746 1.00 0.00 H new HETATM 0 HA3 ZAB A 10 1.959 -4.168 3.226 1.00 0.00 H new HETATM 0 HA2 ZAB A 10 1.398 -4.724 1.662 1.00 0.00 H new HETATM 1131 N ZAB B 110 -3.102 -5.195 -2.108 1.00 0.00 N HETATM 1132 CA ZAB B 110 -1.850 -4.513 -2.389 1.00 0.00 C HETATM 1133 CB ZAB B 110 -0.727 -5.483 -2.683 1.00 0.00 C HETATM 1134 CG2 ZAB B 110 0.487 -5.387 -1.978 1.00 0.00 C HETATM 1135 CD2 ZAB B 110 1.577 -6.201 -2.338 1.00 0.00 C HETATM 1136 CE ZAB B 110 1.453 -7.104 -3.409 1.00 0.00 C HETATM 1137 CD1 ZAB B 110 0.235 -7.219 -4.085 1.00 0.00 C HETATM 1138 CG1 ZAB B 110 -0.858 -6.409 -3.734 1.00 0.00 C HETATM 1139 NG ZAB B 110 0.035 -8.124 -5.109 1.00 0.00 N HETATM 1140 NI ZAB B 110 0.660 -8.347 -6.214 1.00 0.00 N HETATM 1141 CI ZAB B 110 1.739 -7.717 -6.787 1.00 0.00 C HETATM 1142 CJ2 ZAB B 110 1.723 -6.358 -7.115 1.00 0.00 C HETATM 1143 CK2 ZAB B 110 2.870 -5.769 -7.675 1.00 0.00 C HETATM 1144 CL ZAB B 110 4.039 -6.532 -7.859 1.00 0.00 C HETATM 1145 CK1 ZAB B 110 4.057 -7.898 -7.503 1.00 0.00 C HETATM 1146 CJ1 ZAB B 110 2.887 -8.497 -7.001 1.00 0.00 C HETATM 1147 CM ZAB B 110 5.310 -8.742 -7.661 1.00 0.00 C HETATM 1148 C ZAB B 110 6.621 -8.027 -7.320 1.00 0.00 C HETATM 1149 O ZAB B 110 6.916 -7.837 -6.133 1.00 0.00 O HETATM 0 HM3 ZAB B 110 5.219 -9.623 -7.026 1.00 0.00 H new HETATM 0 HM2 ZAB B 110 5.364 -9.096 -8.691 1.00 0.00 H new HETATM 0 HL ZAB B 110 4.932 -6.067 -8.277 1.00 0.00 H new HETATM 0 HK2 ZAB B 110 2.854 -4.719 -7.967 1.00 0.00 H new HETATM 0 HJ2 ZAB B 110 0.829 -5.760 -6.938 1.00 0.00 H new HETATM 0 HJ1 ZAB B 110 2.872 -9.564 -6.779 1.00 0.00 H new HETATM 0 HG2 ZAB B 110 0.583 -4.682 -1.153 1.00 0.00 H new HETATM 0 HG1 ZAB B 110 -1.802 -6.497 -4.273 1.00 0.00 H new HETATM 0 HE ZAB B 110 2.305 -7.713 -3.711 1.00 0.00 H new HETATM 0 HD2 ZAB B 110 2.515 -6.132 -1.788 1.00 0.00 H new HETATM 0 HA3 ZAB B 110 -1.984 -3.846 -3.240 1.00 0.00 H new HETATM 0 HA2 ZAB B 110 -1.577 -3.891 -1.536 1.00 0.00 H new