USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=17 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 27 ASN : amide:sc= 1.32 K(o=2.4,f=-1.3) USER MOD Set 1.2: D 32 HIS : no HE2:sc= 1.11 K(o=2.4,f=-5.9!) USER MOD Set 1.3: D 34 TYR OH : rot -30:sc= 0 USER MOD Set 2.1: C 27 ASN : amide:sc= -0.0576 K(o=-0.13,f=1.9) USER MOD Set 2.2: C 32 HIS : no HD1:sc= -0.076 K(o=-0.13,f=1.9) USER MOD Set 2.3: C 34 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: C 20 ASN : amide:sc= -0.0139 K(o=0.29,f=-0.42) USER MOD Set 3.2: C 23 GLN : amide:sc= 0.307 X(o=0.29,f=-0.014) USER MOD Single : A 1 GLY N :NH3+ -130:sc= 0.0777 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.57 X(o=-0.57,f=-0.42) 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+ -139:sc= 0.0273 (180deg=0) USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 4 GLN : amide:sc= -0.527 K(o=-0.53,f=-1.5) 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 -58:sc= 0.0135 USER MOD Single : C 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 25 TYR OH : rot -23:sc= 0.348 USER MOD Single : C 30 THR OG1 : rot 110:sc= 0.0776 USER MOD Single : D 19 TYR OH : rot 180:sc= 0 USER MOD Single : D 20 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : D 23 GLN : amide:sc=-0.00998 X(o=-0.01,f=0) USER MOD Single : D 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 25 TYR OH : rot 60:sc= 0.407 USER MOD Single : D 30 THR OG1 : rot -164:sc= 0.168 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 23.358 2.111 7.185 1.00 0.00 N ATOM 2 CA GLY A 1 21.997 1.989 6.658 1.00 0.00 C ATOM 3 C GLY A 1 21.456 0.574 6.823 1.00 0.00 C ATOM 4 O GLY A 1 21.956 -0.194 7.655 1.00 0.00 O ATOM 0 H1 GLY A 1 23.412 2.933 7.820 1.00 0.00 H new ATOM 0 H2 GLY A 1 23.605 1.249 7.712 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.025 2.238 6.397 1.00 0.00 H new ATOM 0 HA2 GLY A 1 21.342 2.692 7.173 1.00 0.00 H new ATOM 0 HA3 GLY A 1 21.989 2.261 5.603 1.00 0.00 H new ATOM 8 N PRO A 2 20.403 0.231 6.060 1.00 0.00 N ATOM 9 CA PRO A 2 19.750 -1.070 6.087 1.00 0.00 C ATOM 10 C PRO A 2 20.648 -2.133 5.444 1.00 0.00 C ATOM 11 O PRO A 2 20.730 -2.229 4.215 1.00 0.00 O ATOM 12 CB PRO A 2 18.436 -0.862 5.325 1.00 0.00 C ATOM 13 CG PRO A 2 18.765 0.235 4.314 1.00 0.00 C ATOM 14 CD PRO A 2 19.769 1.097 5.072 1.00 0.00 C ATOM 0 HA PRO A 2 19.559 -1.433 7.097 1.00 0.00 H new ATOM 0 HB2 PRO A 2 18.113 -1.777 4.830 1.00 0.00 H new ATOM 0 HB3 PRO A 2 17.630 -0.560 5.994 1.00 0.00 H new ATOM 0 HG2 PRO A 2 19.192 -0.173 3.398 1.00 0.00 H new ATOM 0 HG3 PRO A 2 17.879 0.802 4.028 1.00 0.00 H new ATOM 0 HD2 PRO A 2 20.511 1.516 4.392 1.00 0.00 H new ATOM 0 HD3 PRO A 2 19.270 1.937 5.556 1.00 0.00 H new ATOM 22 N SER A 3 21.408 -2.869 6.255 1.00 0.00 N ATOM 23 CA SER A 3 22.287 -3.912 5.747 1.00 0.00 C ATOM 24 C SER A 3 21.446 -5.153 5.449 1.00 0.00 C ATOM 25 O SER A 3 21.477 -5.647 4.324 1.00 0.00 O ATOM 26 CB SER A 3 23.394 -4.200 6.756 1.00 0.00 C ATOM 27 OG SER A 3 24.069 -3.003 7.114 1.00 0.00 O ATOM 0 H SER A 3 21.430 -2.759 7.269 1.00 0.00 H new ATOM 0 HA SER A 3 22.771 -3.591 4.825 1.00 0.00 H new ATOM 0 HB2 SER A 3 22.970 -4.665 7.646 1.00 0.00 H new ATOM 0 HB3 SER A 3 24.103 -4.911 6.332 1.00 0.00 H new ATOM 0 HG SER A 3 24.774 -3.207 7.763 1.00 0.00 H new ATOM 33 N GLN A 4 20.638 -5.611 6.410 1.00 0.00 N ATOM 34 CA GLN A 4 19.786 -6.785 6.225 1.00 0.00 C ATOM 35 C GLN A 4 18.431 -6.625 6.935 1.00 0.00 C ATOM 36 O GLN A 4 18.180 -7.290 7.943 1.00 0.00 O ATOM 37 CB GLN A 4 20.538 -8.084 6.583 1.00 0.00 C ATOM 38 CG GLN A 4 21.243 -8.118 7.956 1.00 0.00 C ATOM 39 CD GLN A 4 22.613 -7.436 8.020 1.00 0.00 C ATOM 40 OE1 GLN A 4 22.957 -6.813 9.019 1.00 0.00 O ATOM 41 NE2 GLN A 4 23.462 -7.568 7.014 1.00 0.00 N ATOM 0 H GLN A 4 20.558 -5.180 7.331 1.00 0.00 H new ATOM 0 HA GLN A 4 19.542 -6.869 5.166 1.00 0.00 H new ATOM 0 HB2 GLN A 4 19.828 -8.910 6.544 1.00 0.00 H new ATOM 0 HB3 GLN A 4 21.285 -8.269 5.811 1.00 0.00 H new ATOM 0 HG2 GLN A 4 20.589 -7.647 8.690 1.00 0.00 H new ATOM 0 HG3 GLN A 4 21.362 -9.159 8.256 1.00 0.00 H new ATOM 0 HE21 GLN A 4 23.186 -8.084 6.178 1.00 0.00 H new ATOM 0 HE22 GLN A 4 24.392 -7.154 7.074 1.00 0.00 H new ATOM 50 N PRO A 5 17.579 -5.678 6.501 1.00 0.00 N ATOM 51 CA PRO A 5 16.269 -5.483 7.102 1.00 0.00 C ATOM 52 C PRO A 5 15.436 -6.738 6.832 1.00 0.00 C ATOM 53 O PRO A 5 15.583 -7.362 5.782 1.00 0.00 O ATOM 54 CB PRO A 5 15.681 -4.254 6.407 1.00 0.00 C ATOM 55 CG PRO A 5 16.335 -4.288 5.027 1.00 0.00 C ATOM 56 CD PRO A 5 17.733 -4.823 5.337 1.00 0.00 C ATOM 0 HA PRO A 5 16.298 -5.327 8.180 1.00 0.00 H new ATOM 0 HB2 PRO A 5 14.595 -4.311 6.339 1.00 0.00 H new ATOM 0 HB3 PRO A 5 15.919 -3.335 6.943 1.00 0.00 H new ATOM 0 HG2 PRO A 5 15.795 -4.938 4.338 1.00 0.00 H new ATOM 0 HG3 PRO A 5 16.371 -3.299 4.570 1.00 0.00 H new ATOM 0 HD2 PRO A 5 18.134 -5.382 4.492 1.00 0.00 H new ATOM 0 HD3 PRO A 5 18.428 -4.008 5.539 1.00 0.00 H new ATOM 64 N THR A 6 14.491 -7.051 7.715 1.00 0.00 N ATOM 65 CA THR A 6 13.661 -8.235 7.542 1.00 0.00 C ATOM 66 C THR A 6 12.673 -8.108 6.371 1.00 0.00 C ATOM 67 O THR A 6 12.253 -9.139 5.850 1.00 0.00 O ATOM 68 CB THR A 6 12.977 -8.551 8.882 1.00 0.00 C ATOM 69 OG1 THR A 6 12.589 -9.905 8.951 1.00 0.00 O ATOM 70 CG2 THR A 6 11.750 -7.681 9.166 1.00 0.00 C ATOM 0 H THR A 6 14.284 -6.504 8.551 1.00 0.00 H new ATOM 0 HA THR A 6 14.293 -9.078 7.263 1.00 0.00 H new ATOM 0 HB THR A 6 13.728 -8.329 9.640 1.00 0.00 H new ATOM 0 HG1 THR A 6 12.158 -10.078 9.814 1.00 0.00 H new ATOM 0 HG21 THR A 6 11.320 -7.961 10.128 1.00 0.00 H new ATOM 0 HG22 THR A 6 12.046 -6.632 9.192 1.00 0.00 H new ATOM 0 HG23 THR A 6 11.009 -7.830 8.381 1.00 0.00 H new ATOM 78 N TYR A 7 12.356 -6.884 5.926 1.00 0.00 N ATOM 79 CA TYR A 7 11.425 -6.606 4.832 1.00 0.00 C ATOM 80 C TYR A 7 10.108 -7.390 4.986 1.00 0.00 C ATOM 81 O TYR A 7 9.876 -8.373 4.284 1.00 0.00 O ATOM 82 CB TYR A 7 12.128 -6.751 3.470 1.00 0.00 C ATOM 83 CG TYR A 7 13.000 -5.585 3.004 1.00 0.00 C ATOM 84 CD1 TYR A 7 12.902 -4.298 3.576 1.00 0.00 C ATOM 85 CD2 TYR A 7 13.826 -5.761 1.878 1.00 0.00 C ATOM 86 CE1 TYR A 7 13.528 -3.194 2.986 1.00 0.00 C ATOM 87 CE2 TYR A 7 14.499 -4.668 1.302 1.00 0.00 C ATOM 88 CZ TYR A 7 14.324 -3.369 1.834 1.00 0.00 C ATOM 89 OH TYR A 7 14.895 -2.286 1.242 1.00 0.00 O ATOM 0 H TYR A 7 12.754 -6.037 6.332 1.00 0.00 H new ATOM 0 HA TYR A 7 11.112 -5.563 4.881 1.00 0.00 H new ATOM 0 HB2 TYR A 7 12.751 -7.645 3.505 1.00 0.00 H new ATOM 0 HB3 TYR A 7 11.364 -6.925 2.713 1.00 0.00 H new ATOM 0 HD1 TYR A 7 12.334 -4.163 4.485 1.00 0.00 H new ATOM 0 HD2 TYR A 7 13.944 -6.746 1.451 1.00 0.00 H new ATOM 0 HE1 TYR A 7 13.402 -2.210 3.412 1.00 0.00 H new ATOM 0 HE2 TYR A 7 15.149 -4.821 0.453 1.00 0.00 H new ATOM 0 HH TYR A 7 15.412 -2.575 0.461 1.00 0.00 H new ATOM 99 N PRO A 8 9.196 -6.921 5.860 1.00 0.00 N ATOM 100 CA PRO A 8 7.910 -7.567 6.126 1.00 0.00 C ATOM 101 C PRO A 8 6.912 -7.530 4.962 1.00 0.00 C ATOM 102 O PRO A 8 5.942 -8.293 4.978 1.00 0.00 O ATOM 103 CB PRO A 8 7.333 -6.819 7.337 1.00 0.00 C ATOM 104 CG PRO A 8 7.965 -5.432 7.225 1.00 0.00 C ATOM 105 CD PRO A 8 9.358 -5.759 6.724 1.00 0.00 C ATOM 0 HA PRO A 8 8.075 -8.631 6.296 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.245 -6.770 7.299 1.00 0.00 H new ATOM 0 HB3 PRO A 8 7.597 -7.307 8.275 1.00 0.00 H new ATOM 0 HG2 PRO A 8 7.422 -4.791 6.531 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.987 -4.915 8.184 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.786 -4.919 6.177 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.032 -5.976 7.552 1.00 0.00 H new ATOM 113 N GLY A 9 7.166 -6.744 3.914 1.00 0.00 N ATOM 114 CA GLY A 9 6.242 -6.645 2.795 1.00 0.00 C ATOM 115 C GLY A 9 5.002 -5.865 3.240 1.00 0.00 C ATOM 116 O GLY A 9 5.042 -5.149 4.244 1.00 0.00 O ATOM 0 H GLY A 9 8.004 -6.170 3.822 1.00 0.00 H new ATOM 0 HA2 GLY A 9 6.721 -6.143 1.954 1.00 0.00 H new ATOM 0 HA3 GLY A 9 5.958 -7.640 2.452 1.00 0.00 H new TER 120 GLY A 9 ATOM 121 N PRO C 11 -6.821 -7.416 8.058 1.00 0.00 N ATOM 122 CA PRO C 11 -8.180 -6.890 8.027 1.00 0.00 C ATOM 123 C PRO C 11 -8.158 -5.429 7.583 1.00 0.00 C ATOM 124 O PRO C 11 -7.364 -4.638 8.095 1.00 0.00 O ATOM 125 CB PRO C 11 -8.714 -7.060 9.451 1.00 0.00 C ATOM 126 CG PRO C 11 -7.455 -7.028 10.307 1.00 0.00 C ATOM 127 CD PRO C 11 -6.409 -7.697 9.426 1.00 0.00 C ATOM 0 HA PRO C 11 -8.822 -7.411 7.317 1.00 0.00 H new ATOM 0 HB2 PRO C 11 -9.403 -6.259 9.720 1.00 0.00 H new ATOM 0 HB3 PRO C 11 -9.255 -7.999 9.568 1.00 0.00 H new ATOM 0 HG2 PRO C 11 -7.170 -6.008 10.564 1.00 0.00 H new ATOM 0 HG3 PRO C 11 -7.593 -7.566 11.245 1.00 0.00 H new ATOM 0 HD2 PRO C 11 -5.414 -7.300 9.626 1.00 0.00 H new ATOM 0 HD3 PRO C 11 -6.367 -8.770 9.611 1.00 0.00 H new ATOM 135 N VAL C 12 -9.149 -5.033 6.785 1.00 0.00 N ATOM 136 CA VAL C 12 -9.263 -3.686 6.249 1.00 0.00 C ATOM 137 C VAL C 12 -9.289 -2.562 7.295 1.00 0.00 C ATOM 138 O VAL C 12 -8.654 -1.536 7.065 1.00 0.00 O ATOM 139 CB VAL C 12 -10.435 -3.643 5.253 1.00 0.00 C ATOM 140 CG1 VAL C 12 -11.847 -3.722 5.843 1.00 0.00 C ATOM 141 CG2 VAL C 12 -10.355 -2.359 4.444 1.00 0.00 C ATOM 0 H VAL C 12 -9.905 -5.652 6.491 1.00 0.00 H new ATOM 0 HA VAL C 12 -8.337 -3.466 5.717 1.00 0.00 H new ATOM 0 HB VAL C 12 -10.308 -4.549 4.661 1.00 0.00 H new ATOM 0 HG11 VAL C 12 -12.581 -3.682 5.038 1.00 0.00 H new ATOM 0 HG12 VAL C 12 -11.961 -4.657 6.391 1.00 0.00 H new ATOM 0 HG13 VAL C 12 -12.006 -2.883 6.521 1.00 0.00 H new ATOM 0 HG21 VAL C 12 -11.183 -2.323 3.736 1.00 0.00 H new ATOM 0 HG22 VAL C 12 -10.413 -1.502 5.115 1.00 0.00 H new ATOM 0 HG23 VAL C 12 -9.411 -2.330 3.900 1.00 0.00 H new ATOM 151 N GLU C 13 -9.969 -2.735 8.429 1.00 0.00 N ATOM 152 CA GLU C 13 -10.053 -1.709 9.469 1.00 0.00 C ATOM 153 C GLU C 13 -8.658 -1.303 9.951 1.00 0.00 C ATOM 154 O GLU C 13 -8.327 -0.116 9.974 1.00 0.00 O ATOM 155 CB GLU C 13 -10.909 -2.257 10.619 1.00 0.00 C ATOM 156 CG GLU C 13 -11.228 -1.188 11.673 1.00 0.00 C ATOM 157 CD GLU C 13 -11.902 -1.771 12.917 1.00 0.00 C ATOM 158 OE1 GLU C 13 -12.563 -2.835 12.834 1.00 0.00 O ATOM 159 OE2 GLU C 13 -11.696 -1.199 14.014 1.00 0.00 O ATOM 0 H GLU C 13 -10.477 -3.591 8.652 1.00 0.00 H new ATOM 0 HA GLU C 13 -10.519 -0.809 9.068 1.00 0.00 H new ATOM 0 HB2 GLU C 13 -11.840 -2.656 10.217 1.00 0.00 H new ATOM 0 HB3 GLU C 13 -10.386 -3.087 11.094 1.00 0.00 H new ATOM 0 HG2 GLU C 13 -10.306 -0.685 11.966 1.00 0.00 H new ATOM 0 HG3 GLU C 13 -11.878 -0.432 11.233 1.00 0.00 H new ATOM 166 N ASP C 14 -7.841 -2.295 10.303 1.00 0.00 N ATOM 167 CA ASP C 14 -6.475 -2.101 10.775 1.00 0.00 C ATOM 168 C ASP C 14 -5.608 -1.649 9.608 1.00 0.00 C ATOM 169 O ASP C 14 -4.735 -0.802 9.779 1.00 0.00 O ATOM 170 CB ASP C 14 -5.904 -3.408 11.344 1.00 0.00 C ATOM 171 CG ASP C 14 -6.718 -3.942 12.519 1.00 0.00 C ATOM 172 OD1 ASP C 14 -7.842 -4.449 12.305 1.00 0.00 O ATOM 173 OD2 ASP C 14 -6.324 -3.724 13.685 1.00 0.00 O ATOM 0 H ASP C 14 -8.118 -3.276 10.266 1.00 0.00 H new ATOM 0 HA ASP C 14 -6.480 -1.348 11.563 1.00 0.00 H new ATOM 0 HB2 ASP C 14 -5.874 -4.160 10.556 1.00 0.00 H new ATOM 0 HB3 ASP C 14 -4.876 -3.241 11.665 1.00 0.00 H new ATOM 178 N LEU C 15 -5.878 -2.164 8.402 1.00 0.00 N ATOM 179 CA LEU C 15 -5.142 -1.837 7.190 1.00 0.00 C ATOM 180 C LEU C 15 -5.180 -0.340 6.909 1.00 0.00 C ATOM 181 O LEU C 15 -4.146 0.227 6.569 1.00 0.00 O ATOM 182 CB LEU C 15 -5.670 -2.649 5.995 1.00 0.00 C ATOM 183 CG LEU C 15 -4.685 -2.685 4.820 1.00 0.00 C ATOM 184 CD1 LEU C 15 -3.469 -3.547 5.136 1.00 0.00 C ATOM 185 CD2 LEU C 15 -5.338 -3.298 3.579 1.00 0.00 C ATOM 0 H LEU C 15 -6.632 -2.833 8.246 1.00 0.00 H new ATOM 0 HA LEU C 15 -4.098 -2.112 7.343 1.00 0.00 H new ATOM 0 HB2 LEU C 15 -5.880 -3.668 6.319 1.00 0.00 H new ATOM 0 HB3 LEU C 15 -6.614 -2.220 5.659 1.00 0.00 H new ATOM 0 HG LEU C 15 -4.388 -1.651 4.642 1.00 0.00 H new ATOM 0 HD11 LEU C 15 -2.793 -3.549 4.281 1.00 0.00 H new ATOM 0 HD12 LEU C 15 -2.952 -3.142 6.006 1.00 0.00 H new ATOM 0 HD13 LEU C 15 -3.791 -4.567 5.347 1.00 0.00 H new ATOM 0 HD21 LEU C 15 -4.620 -3.312 2.759 1.00 0.00 H new ATOM 0 HD22 LEU C 15 -5.656 -4.317 3.801 1.00 0.00 H new ATOM 0 HD23 LEU C 15 -6.204 -2.702 3.292 1.00 0.00 H new ATOM 197 N ILE C 16 -6.313 0.325 7.130 1.00 0.00 N ATOM 198 CA ILE C 16 -6.468 1.766 6.914 1.00 0.00 C ATOM 199 C ILE C 16 -5.539 2.556 7.862 1.00 0.00 C ATOM 200 O ILE C 16 -5.115 3.673 7.539 1.00 0.00 O ATOM 201 CB ILE C 16 -7.962 2.114 7.110 1.00 0.00 C ATOM 202 CG1 ILE C 16 -8.835 1.487 5.999 1.00 0.00 C ATOM 203 CG2 ILE C 16 -8.231 3.627 7.149 1.00 0.00 C ATOM 204 CD1 ILE C 16 -10.287 1.289 6.460 1.00 0.00 C ATOM 0 H ILE C 16 -7.162 -0.127 7.469 1.00 0.00 H new ATOM 0 HA ILE C 16 -6.173 2.047 5.903 1.00 0.00 H new ATOM 0 HB ILE C 16 -8.230 1.696 8.080 1.00 0.00 H new ATOM 0 HG12 ILE C 16 -8.817 2.128 5.117 1.00 0.00 H new ATOM 0 HG13 ILE C 16 -8.413 0.526 5.703 1.00 0.00 H new ATOM 0 HG21 ILE C 16 -9.298 3.803 7.289 1.00 0.00 H new ATOM 0 HG22 ILE C 16 -7.678 4.074 7.975 1.00 0.00 H new ATOM 0 HG23 ILE C 16 -7.908 4.078 6.211 1.00 0.00 H new ATOM 0 HD11 ILE C 16 -10.868 0.846 5.651 1.00 0.00 H new ATOM 0 HD12 ILE C 16 -10.307 0.627 7.326 1.00 0.00 H new ATOM 0 HD13 ILE C 16 -10.718 2.253 6.731 1.00 0.00 H new ATOM 216 N ARG C 17 -5.192 1.973 9.015 1.00 0.00 N ATOM 217 CA ARG C 17 -4.326 2.535 10.050 1.00 0.00 C ATOM 218 C ARG C 17 -2.929 1.922 10.016 1.00 0.00 C ATOM 219 O ARG C 17 -2.115 2.210 10.893 1.00 0.00 O ATOM 220 CB ARG C 17 -4.980 2.250 11.419 1.00 0.00 C ATOM 221 CG ARG C 17 -4.635 3.267 12.515 1.00 0.00 C ATOM 222 CD ARG C 17 -5.475 4.524 12.305 1.00 0.00 C ATOM 223 NE ARG C 17 -5.300 5.489 13.396 1.00 0.00 N ATOM 224 CZ ARG C 17 -6.174 6.460 13.680 1.00 0.00 C ATOM 225 NH1 ARG C 17 -7.242 6.664 12.911 1.00 0.00 N ATOM 226 NH2 ARG C 17 -5.981 7.230 14.742 1.00 0.00 N ATOM 0 H ARG C 17 -5.529 1.043 9.262 1.00 0.00 H new ATOM 0 HA ARG C 17 -4.215 3.606 9.877 1.00 0.00 H new ATOM 0 HB2 ARG C 17 -6.062 2.225 11.292 1.00 0.00 H new ATOM 0 HB3 ARG C 17 -4.676 1.258 11.753 1.00 0.00 H new ATOM 0 HG2 ARG C 17 -4.832 2.842 13.499 1.00 0.00 H new ATOM 0 HG3 ARG C 17 -3.574 3.513 12.481 1.00 0.00 H new ATOM 0 HD2 ARG C 17 -5.199 4.991 11.360 1.00 0.00 H new ATOM 0 HD3 ARG C 17 -6.527 4.249 12.229 1.00 0.00 H new ATOM 0 HE ARG C 17 -4.462 5.415 13.972 1.00 0.00 H new ATOM 0 HH11 ARG C 17 -7.402 6.076 12.093 1.00 0.00 H new ATOM 0 HH12 ARG C 17 -7.900 7.409 13.140 1.00 0.00 H new ATOM 0 HH21 ARG C 17 -5.168 7.081 15.339 1.00 0.00 H new ATOM 0 HH22 ARG C 17 -6.646 7.972 14.962 1.00 0.00 H new ATOM 240 N PHE C 18 -2.595 1.152 8.991 1.00 0.00 N ATOM 241 CA PHE C 18 -1.295 0.521 8.815 1.00 0.00 C ATOM 242 C PHE C 18 -0.691 1.035 7.507 1.00 0.00 C ATOM 243 O PHE C 18 0.490 1.381 7.452 1.00 0.00 O ATOM 244 CB PHE C 18 -1.481 -1.005 8.846 1.00 0.00 C ATOM 245 CG PHE C 18 -0.548 -1.784 7.948 1.00 0.00 C ATOM 246 CD1 PHE C 18 -0.859 -1.918 6.582 1.00 0.00 C ATOM 247 CD2 PHE C 18 0.639 -2.340 8.453 1.00 0.00 C ATOM 248 CE1 PHE C 18 0.003 -2.607 5.723 1.00 0.00 C ATOM 249 CE2 PHE C 18 1.491 -3.049 7.591 1.00 0.00 C ATOM 250 CZ PHE C 18 1.161 -3.206 6.236 1.00 0.00 C ATOM 0 H PHE C 18 -3.244 0.942 8.233 1.00 0.00 H new ATOM 0 HA PHE C 18 -0.600 0.771 9.617 1.00 0.00 H new ATOM 0 HB2 PHE C 18 -1.346 -1.351 9.871 1.00 0.00 H new ATOM 0 HB3 PHE C 18 -2.508 -1.236 8.564 1.00 0.00 H new ATOM 0 HD1 PHE C 18 -1.770 -1.486 6.194 1.00 0.00 H new ATOM 0 HD2 PHE C 18 0.894 -2.223 9.496 1.00 0.00 H new ATOM 0 HE1 PHE C 18 -0.223 -2.677 4.669 1.00 0.00 H new ATOM 0 HE2 PHE C 18 2.406 -3.476 7.973 1.00 0.00 H new ATOM 0 HZ PHE C 18 1.800 -3.789 5.589 1.00 0.00 H new ATOM 260 N TYR C 19 -1.528 1.141 6.471 1.00 0.00 N ATOM 261 CA TYR C 19 -1.185 1.589 5.141 1.00 0.00 C ATOM 262 C TYR C 19 -0.689 3.024 5.159 1.00 0.00 C ATOM 263 O TYR C 19 0.307 3.314 4.511 1.00 0.00 O ATOM 264 CB TYR C 19 -2.404 1.470 4.209 1.00 0.00 C ATOM 265 CG TYR C 19 -2.181 2.131 2.860 1.00 0.00 C ATOM 266 CD1 TYR C 19 -1.408 1.484 1.878 1.00 0.00 C ATOM 267 CD2 TYR C 19 -2.687 3.424 2.615 1.00 0.00 C ATOM 268 CE1 TYR C 19 -1.129 2.135 0.662 1.00 0.00 C ATOM 269 CE2 TYR C 19 -2.416 4.074 1.396 1.00 0.00 C ATOM 270 CZ TYR C 19 -1.623 3.440 0.417 1.00 0.00 C ATOM 271 OH TYR C 19 -1.357 4.098 -0.749 1.00 0.00 O ATOM 0 H TYR C 19 -2.516 0.900 6.555 1.00 0.00 H new ATOM 0 HA TYR C 19 -0.383 0.952 4.768 1.00 0.00 H new ATOM 0 HB2 TYR C 19 -2.638 0.416 4.058 1.00 0.00 H new ATOM 0 HB3 TYR C 19 -3.270 1.923 4.692 1.00 0.00 H new ATOM 0 HD1 TYR C 19 -1.029 0.489 2.057 1.00 0.00 H new ATOM 0 HD2 TYR C 19 -3.285 3.918 3.366 1.00 0.00 H new ATOM 0 HE1 TYR C 19 -0.534 1.637 -0.089 1.00 0.00 H new ATOM 0 HE2 TYR C 19 -2.816 5.060 1.210 1.00 0.00 H new ATOM 0 HH TYR C 19 -0.387 4.181 -0.864 1.00 0.00 H new ATOM 281 N ASN C 20 -1.347 3.931 5.876 1.00 0.00 N ATOM 282 CA ASN C 20 -0.913 5.324 5.890 1.00 0.00 C ATOM 283 C ASN C 20 0.529 5.469 6.376 1.00 0.00 C ATOM 284 O ASN C 20 1.352 6.081 5.697 1.00 0.00 O ATOM 285 CB ASN C 20 -1.895 6.166 6.716 1.00 0.00 C ATOM 286 CG ASN C 20 -2.073 7.541 6.079 1.00 0.00 C ATOM 287 OD1 ASN C 20 -1.159 8.098 5.477 1.00 0.00 O ATOM 288 ND2 ASN C 20 -3.296 8.039 6.034 1.00 0.00 N ATOM 0 H ASN C 20 -2.169 3.731 6.446 1.00 0.00 H new ATOM 0 HA ASN C 20 -0.920 5.700 4.867 1.00 0.00 H new ATOM 0 HB2 ASN C 20 -2.858 5.658 6.779 1.00 0.00 H new ATOM 0 HB3 ASN C 20 -1.525 6.274 7.735 1.00 0.00 H new ATOM 0 HD21 ASN C 20 -3.482 8.887 5.499 1.00 0.00 H new ATOM 0 HD22 ASN C 20 -4.054 7.575 6.534 1.00 0.00 H new ATOM 295 N ASP C 21 0.868 4.750 7.445 1.00 0.00 N ATOM 296 CA ASP C 21 2.193 4.739 8.065 1.00 0.00 C ATOM 297 C ASP C 21 3.188 3.983 7.174 1.00 0.00 C ATOM 298 O ASP C 21 4.372 4.327 7.117 1.00 0.00 O ATOM 299 CB ASP C 21 2.135 4.062 9.445 1.00 0.00 C ATOM 300 CG ASP C 21 1.468 4.878 10.561 1.00 0.00 C ATOM 301 OD1 ASP C 21 0.431 5.528 10.296 1.00 0.00 O ATOM 302 OD2 ASP C 21 1.663 4.469 11.733 1.00 0.00 O ATOM 0 H ASP C 21 0.205 4.138 7.920 1.00 0.00 H new ATOM 0 HA ASP C 21 2.522 5.771 8.185 1.00 0.00 H new ATOM 0 HB2 ASP C 21 1.602 3.117 9.343 1.00 0.00 H new ATOM 0 HB3 ASP C 21 3.152 3.822 9.754 1.00 0.00 H new ATOM 307 N LEU C 22 2.717 2.955 6.448 1.00 0.00 N ATOM 308 CA LEU C 22 3.511 2.133 5.537 1.00 0.00 C ATOM 309 C LEU C 22 4.088 2.982 4.403 1.00 0.00 C ATOM 310 O LEU C 22 5.010 2.527 3.734 1.00 0.00 O ATOM 311 CB LEU C 22 2.668 0.946 5.010 1.00 0.00 C ATOM 312 CG LEU C 22 3.388 0.022 4.001 1.00 0.00 C ATOM 313 CD1 LEU C 22 3.018 -1.443 4.219 1.00 0.00 C ATOM 314 CD2 LEU C 22 3.068 0.345 2.528 1.00 0.00 C ATOM 0 H LEU C 22 1.739 2.669 6.485 1.00 0.00 H new ATOM 0 HA LEU C 22 4.357 1.715 6.083 1.00 0.00 H new ATOM 0 HB2 LEU C 22 2.344 0.346 5.860 1.00 0.00 H new ATOM 0 HB3 LEU C 22 1.769 1.342 4.538 1.00 0.00 H new ATOM 0 HG LEU C 22 4.448 0.198 4.186 1.00 0.00 H new ATOM 0 HD11 LEU C 22 3.543 -2.063 3.492 1.00 0.00 H new ATOM 0 HD12 LEU C 22 3.304 -1.744 5.227 1.00 0.00 H new ATOM 0 HD13 LEU C 22 1.943 -1.569 4.094 1.00 0.00 H new ATOM 0 HD21 LEU C 22 3.609 -0.344 1.879 1.00 0.00 H new ATOM 0 HD22 LEU C 22 1.997 0.240 2.357 1.00 0.00 H new ATOM 0 HD23 LEU C 22 3.372 1.368 2.305 1.00 0.00 H new ATOM 326 N GLN C 23 3.645 4.225 4.194 1.00 0.00 N ATOM 327 CA GLN C 23 4.198 5.042 3.126 1.00 0.00 C ATOM 328 C GLN C 23 5.710 5.219 3.330 1.00 0.00 C ATOM 329 O GLN C 23 6.469 5.239 2.355 1.00 0.00 O ATOM 330 CB GLN C 23 3.430 6.360 3.026 1.00 0.00 C ATOM 331 CG GLN C 23 3.802 7.390 4.095 1.00 0.00 C ATOM 332 CD GLN C 23 3.027 8.673 3.868 1.00 0.00 C ATOM 333 OE1 GLN C 23 3.584 9.655 3.367 1.00 0.00 O ATOM 334 NE2 GLN C 23 1.735 8.653 4.120 1.00 0.00 N ATOM 0 H GLN C 23 2.915 4.677 4.745 1.00 0.00 H new ATOM 0 HA GLN C 23 4.076 4.544 2.164 1.00 0.00 H new ATOM 0 HB2 GLN C 23 3.606 6.795 2.042 1.00 0.00 H new ATOM 0 HB3 GLN C 23 2.363 6.151 3.096 1.00 0.00 H new ATOM 0 HG2 GLN C 23 3.583 6.993 5.086 1.00 0.00 H new ATOM 0 HG3 GLN C 23 4.873 7.591 4.062 1.00 0.00 H new ATOM 0 HE21 GLN C 23 1.309 7.824 4.535 1.00 0.00 H new ATOM 0 HE22 GLN C 23 1.160 9.466 3.901 1.00 0.00 H new ATOM 343 N GLN C 24 6.150 5.273 4.594 1.00 0.00 N ATOM 344 CA GLN C 24 7.555 5.413 4.946 1.00 0.00 C ATOM 345 C GLN C 24 8.334 4.142 4.601 1.00 0.00 C ATOM 346 O GLN C 24 9.543 4.225 4.404 1.00 0.00 O ATOM 347 CB GLN C 24 7.725 5.759 6.428 1.00 0.00 C ATOM 348 CG GLN C 24 7.326 7.212 6.701 1.00 0.00 C ATOM 349 CD GLN C 24 7.684 7.631 8.123 1.00 0.00 C ATOM 350 OE1 GLN C 24 6.835 7.657 9.009 1.00 0.00 O ATOM 351 NE2 GLN C 24 8.932 7.986 8.380 1.00 0.00 N ATOM 0 H GLN C 24 5.530 5.220 5.402 1.00 0.00 H new ATOM 0 HA GLN C 24 7.961 6.236 4.358 1.00 0.00 H new ATOM 0 HB2 GLN C 24 7.114 5.090 7.034 1.00 0.00 H new ATOM 0 HB3 GLN C 24 8.762 5.601 6.726 1.00 0.00 H new ATOM 0 HG2 GLN C 24 7.828 7.868 5.990 1.00 0.00 H new ATOM 0 HG3 GLN C 24 6.254 7.332 6.544 1.00 0.00 H new ATOM 0 HE21 GLN C 24 9.632 7.962 7.639 1.00 0.00 H new ATOM 0 HE22 GLN C 24 9.194 8.284 9.320 1.00 0.00 H new ATOM 360 N TYR C 25 7.680 2.977 4.528 1.00 0.00 N ATOM 361 CA TYR C 25 8.333 1.721 4.183 1.00 0.00 C ATOM 362 C TYR C 25 8.898 1.876 2.777 1.00 0.00 C ATOM 363 O TYR C 25 10.102 1.705 2.581 1.00 0.00 O ATOM 364 CB TYR C 25 7.353 0.540 4.262 1.00 0.00 C ATOM 365 CG TYR C 25 7.902 -0.829 3.906 1.00 0.00 C ATOM 366 CD1 TYR C 25 9.256 -1.149 4.113 1.00 0.00 C ATOM 367 CD2 TYR C 25 7.033 -1.806 3.375 1.00 0.00 C ATOM 368 CE1 TYR C 25 9.725 -2.434 3.813 1.00 0.00 C ATOM 369 CE2 TYR C 25 7.503 -3.097 3.079 1.00 0.00 C ATOM 370 CZ TYR C 25 8.854 -3.426 3.322 1.00 0.00 C ATOM 371 OH TYR C 25 9.319 -4.694 3.175 1.00 0.00 O ATOM 0 H TYR C 25 6.680 2.885 4.708 1.00 0.00 H new ATOM 0 HA TYR C 25 9.132 1.503 4.892 1.00 0.00 H new ATOM 0 HB2 TYR C 25 6.957 0.494 5.277 1.00 0.00 H new ATOM 0 HB3 TYR C 25 6.512 0.751 3.601 1.00 0.00 H new ATOM 0 HD1 TYR C 25 9.934 -0.404 4.503 1.00 0.00 H new ATOM 0 HD2 TYR C 25 5.997 -1.559 3.194 1.00 0.00 H new ATOM 0 HE1 TYR C 25 10.769 -2.668 3.960 1.00 0.00 H new ATOM 0 HE2 TYR C 25 6.832 -3.836 2.666 1.00 0.00 H new ATOM 0 HH TYR C 25 10.295 -4.677 3.089 1.00 0.00 H new ATOM 381 N LEU C 26 8.063 2.287 1.812 1.00 0.00 N ATOM 382 CA LEU C 26 8.530 2.479 0.442 1.00 0.00 C ATOM 383 C LEU C 26 9.599 3.571 0.422 1.00 0.00 C ATOM 384 O LEU C 26 10.593 3.431 -0.283 1.00 0.00 O ATOM 385 CB LEU C 26 7.399 2.852 -0.529 1.00 0.00 C ATOM 386 CG LEU C 26 7.231 1.888 -1.715 1.00 0.00 C ATOM 387 CD1 LEU C 26 6.110 2.451 -2.591 1.00 0.00 C ATOM 388 CD2 LEU C 26 8.476 1.697 -2.592 1.00 0.00 C ATOM 0 H LEU C 26 7.074 2.489 1.957 1.00 0.00 H new ATOM 0 HA LEU C 26 8.941 1.528 0.104 1.00 0.00 H new ATOM 0 HB2 LEU C 26 6.461 2.893 0.025 1.00 0.00 H new ATOM 0 HB3 LEU C 26 7.585 3.854 -0.916 1.00 0.00 H new ATOM 0 HG LEU C 26 7.019 0.905 -1.294 1.00 0.00 H new ATOM 0 HD11 LEU C 26 5.955 1.797 -3.449 1.00 0.00 H new ATOM 0 HD12 LEU C 26 5.190 2.512 -2.010 1.00 0.00 H new ATOM 0 HD13 LEU C 26 6.385 3.446 -2.939 1.00 0.00 H new ATOM 0 HD21 LEU C 26 8.250 0.999 -3.398 1.00 0.00 H new ATOM 0 HD22 LEU C 26 8.773 2.656 -3.015 1.00 0.00 H new ATOM 0 HD23 LEU C 26 9.290 1.300 -1.986 1.00 0.00 H new ATOM 400 N ASN C 27 9.429 4.612 1.249 1.00 0.00 N ATOM 401 CA ASN C 27 10.353 5.744 1.378 1.00 0.00 C ATOM 402 C ASN C 27 11.771 5.261 1.750 1.00 0.00 C ATOM 403 O ASN C 27 12.763 5.977 1.579 1.00 0.00 O ATOM 404 CB ASN C 27 9.780 6.760 2.380 1.00 0.00 C ATOM 405 CG ASN C 27 10.194 8.194 2.072 1.00 0.00 C ATOM 406 OD1 ASN C 27 11.374 8.475 1.903 1.00 0.00 O ATOM 407 ND2 ASN C 27 9.293 9.155 2.195 1.00 0.00 N ATOM 0 H ASN C 27 8.620 4.690 1.865 1.00 0.00 H new ATOM 0 HA ASN C 27 10.453 6.250 0.418 1.00 0.00 H new ATOM 0 HB2 ASN C 27 8.692 6.692 2.376 1.00 0.00 H new ATOM 0 HB3 ASN C 27 10.112 6.499 3.385 1.00 0.00 H new ATOM 0 HD21 ASN C 27 9.581 10.133 2.149 1.00 0.00 H new ATOM 0 HD22 ASN C 27 8.311 8.918 2.336 1.00 0.00 H new ATOM 414 N VAL C 28 11.877 4.092 2.389 1.00 0.00 N ATOM 415 CA VAL C 28 13.137 3.463 2.776 1.00 0.00 C ATOM 416 C VAL C 28 13.552 2.521 1.637 1.00 0.00 C ATOM 417 O VAL C 28 14.659 2.657 1.124 1.00 0.00 O ATOM 418 CB VAL C 28 13.015 2.725 4.130 1.00 0.00 C ATOM 419 CG1 VAL C 28 14.273 1.891 4.419 1.00 0.00 C ATOM 420 CG2 VAL C 28 12.823 3.705 5.298 1.00 0.00 C ATOM 0 H VAL C 28 11.061 3.543 2.658 1.00 0.00 H new ATOM 0 HA VAL C 28 13.907 4.220 2.927 1.00 0.00 H new ATOM 0 HB VAL C 28 12.142 2.078 4.048 1.00 0.00 H new ATOM 0 HG11 VAL C 28 14.161 1.383 5.377 1.00 0.00 H new ATOM 0 HG12 VAL C 28 14.409 1.152 3.630 1.00 0.00 H new ATOM 0 HG13 VAL C 28 15.143 2.546 4.456 1.00 0.00 H new ATOM 0 HG21 VAL C 28 12.742 3.147 6.231 1.00 0.00 H new ATOM 0 HG22 VAL C 28 13.678 4.379 5.352 1.00 0.00 H new ATOM 0 HG23 VAL C 28 11.913 4.284 5.141 1.00 0.00 H new ATOM 430 N VAL C 29 12.663 1.627 1.190 1.00 0.00 N ATOM 431 CA VAL C 29 12.909 0.653 0.125 1.00 0.00 C ATOM 432 C VAL C 29 13.495 1.306 -1.127 1.00 0.00 C ATOM 433 O VAL C 29 14.453 0.773 -1.690 1.00 0.00 O ATOM 434 CB VAL C 29 11.603 -0.099 -0.193 1.00 0.00 C ATOM 435 CG1 VAL C 29 11.686 -0.996 -1.430 1.00 0.00 C ATOM 436 CG2 VAL C 29 11.166 -1.005 0.959 1.00 0.00 C ATOM 0 H VAL C 29 11.720 1.561 1.574 1.00 0.00 H new ATOM 0 HA VAL C 29 13.655 -0.060 0.476 1.00 0.00 H new ATOM 0 HB VAL C 29 10.887 0.703 -0.369 1.00 0.00 H new ATOM 0 HG11 VAL C 29 10.727 -1.490 -1.586 1.00 0.00 H new ATOM 0 HG12 VAL C 29 11.929 -0.390 -2.303 1.00 0.00 H new ATOM 0 HG13 VAL C 29 12.462 -1.748 -1.283 1.00 0.00 H new ATOM 0 HG21 VAL C 29 10.241 -1.515 0.690 1.00 0.00 H new ATOM 0 HG22 VAL C 29 11.943 -1.743 1.156 1.00 0.00 H new ATOM 0 HG23 VAL C 29 11.002 -0.403 1.853 1.00 0.00 H new ATOM 446 N THR C 30 12.951 2.434 -1.582 1.00 0.00 N ATOM 447 CA THR C 30 13.434 3.133 -2.770 1.00 0.00 C ATOM 448 C THR C 30 14.333 4.319 -2.409 1.00 0.00 C ATOM 449 O THR C 30 14.578 5.175 -3.248 1.00 0.00 O ATOM 450 CB THR C 30 12.270 3.416 -3.741 1.00 0.00 C ATOM 451 OG1 THR C 30 11.118 3.948 -3.120 1.00 0.00 O ATOM 452 CG2 THR C 30 11.758 2.123 -4.364 1.00 0.00 C ATOM 0 H THR C 30 12.157 2.891 -1.133 1.00 0.00 H new ATOM 0 HA THR C 30 14.106 2.487 -3.335 1.00 0.00 H new ATOM 0 HB THR C 30 12.697 4.122 -4.453 1.00 0.00 H new ATOM 0 HG1 THR C 30 11.008 4.886 -3.383 1.00 0.00 H new ATOM 0 HG21 THR C 30 10.937 2.347 -5.045 1.00 0.00 H new ATOM 0 HG22 THR C 30 12.565 1.640 -4.915 1.00 0.00 H new ATOM 0 HG23 THR C 30 11.405 1.455 -3.578 1.00 0.00 H new ATOM 460 N ARG C 31 14.825 4.396 -1.163 1.00 0.00 N ATOM 461 CA ARG C 31 15.714 5.432 -0.628 1.00 0.00 C ATOM 462 C ARG C 31 15.375 6.840 -1.145 1.00 0.00 C ATOM 463 O ARG C 31 16.250 7.608 -1.545 1.00 0.00 O ATOM 464 CB ARG C 31 17.162 4.987 -0.893 1.00 0.00 C ATOM 465 CG ARG C 31 18.174 5.697 0.015 1.00 0.00 C ATOM 466 CD ARG C 31 19.605 5.268 -0.317 1.00 0.00 C ATOM 467 NE ARG C 31 20.580 6.053 0.463 1.00 0.00 N ATOM 468 CZ ARG C 31 21.155 7.197 0.061 1.00 0.00 C ATOM 469 NH1 ARG C 31 20.884 7.731 -1.121 1.00 0.00 N ATOM 470 NH2 ARG C 31 22.050 7.811 0.820 1.00 0.00 N ATOM 0 H ARG C 31 14.597 3.692 -0.461 1.00 0.00 H new ATOM 0 HA ARG C 31 15.573 5.531 0.448 1.00 0.00 H new ATOM 0 HB2 ARG C 31 17.240 3.910 -0.745 1.00 0.00 H new ATOM 0 HB3 ARG C 31 17.414 5.184 -1.935 1.00 0.00 H new ATOM 0 HG2 ARG C 31 18.078 6.776 -0.102 1.00 0.00 H new ATOM 0 HG3 ARG C 31 17.955 5.469 1.058 1.00 0.00 H new ATOM 0 HD2 ARG C 31 19.731 4.207 -0.102 1.00 0.00 H new ATOM 0 HD3 ARG C 31 19.792 5.402 -1.382 1.00 0.00 H new ATOM 0 HE ARG C 31 20.838 5.697 1.383 1.00 0.00 H new ATOM 0 HH11 ARG C 31 20.225 7.271 -1.749 1.00 0.00 H new ATOM 0 HH12 ARG C 31 21.335 8.602 -1.403 1.00 0.00 H new ATOM 0 HH21 ARG C 31 22.311 7.415 1.723 1.00 0.00 H new ATOM 0 HH22 ARG C 31 22.479 8.680 0.501 1.00 0.00 H new ATOM 484 N HIS C 32 14.101 7.203 -1.059 1.00 0.00 N ATOM 485 CA HIS C 32 13.499 8.464 -1.481 1.00 0.00 C ATOM 486 C HIS C 32 13.875 8.834 -2.922 1.00 0.00 C ATOM 487 O HIS C 32 13.978 10.011 -3.269 1.00 0.00 O ATOM 488 CB HIS C 32 13.807 9.546 -0.445 1.00 0.00 C ATOM 489 CG HIS C 32 12.691 10.536 -0.223 1.00 0.00 C ATOM 490 ND1 HIS C 32 11.660 10.873 -1.079 1.00 0.00 N ATOM 491 CD2 HIS C 32 12.450 11.149 0.973 1.00 0.00 C ATOM 492 CE1 HIS C 32 10.815 11.665 -0.396 1.00 0.00 C ATOM 493 NE2 HIS C 32 11.241 11.841 0.869 1.00 0.00 N ATOM 0 H HIS C 32 13.405 6.573 -0.660 1.00 0.00 H new ATOM 0 HA HIS C 32 12.415 8.357 -1.516 1.00 0.00 H new ATOM 0 HB2 HIS C 32 14.043 9.065 0.504 1.00 0.00 H new ATOM 0 HB3 HIS C 32 14.699 10.088 -0.759 1.00 0.00 H new ATOM 0 HD2 HIS C 32 13.083 11.106 1.847 1.00 0.00 H new ATOM 0 HE1 HIS C 32 9.916 12.101 -0.807 1.00 0.00 H new ATOM 0 HE2 HIS C 32 10.775 12.373 1.604 1.00 0.00 H new ATOM 501 N ARG C 33 14.011 7.837 -3.798 1.00 0.00 N ATOM 502 CA ARG C 33 14.382 7.957 -5.204 1.00 0.00 C ATOM 503 C ARG C 33 13.219 7.564 -6.124 1.00 0.00 C ATOM 504 O ARG C 33 13.424 6.816 -7.083 1.00 0.00 O ATOM 505 CB ARG C 33 15.664 7.120 -5.413 1.00 0.00 C ATOM 506 CG ARG C 33 16.458 7.412 -6.690 1.00 0.00 C ATOM 507 CD ARG C 33 17.161 8.773 -6.679 1.00 0.00 C ATOM 508 NE ARG C 33 17.883 8.977 -7.943 1.00 0.00 N ATOM 509 CZ ARG C 33 17.323 9.289 -9.119 1.00 0.00 C ATOM 510 NH1 ARG C 33 16.067 9.720 -9.189 1.00 0.00 N ATOM 511 NH2 ARG C 33 18.041 9.129 -10.221 1.00 0.00 N ATOM 0 H ARG C 33 13.855 6.867 -3.526 1.00 0.00 H new ATOM 0 HA ARG C 33 14.597 8.991 -5.473 1.00 0.00 H new ATOM 0 HB2 ARG C 33 16.320 7.278 -4.557 1.00 0.00 H new ATOM 0 HB3 ARG C 33 15.389 6.065 -5.413 1.00 0.00 H new ATOM 0 HG2 ARG C 33 17.203 6.629 -6.831 1.00 0.00 H new ATOM 0 HG3 ARG C 33 15.783 7.368 -7.545 1.00 0.00 H new ATOM 0 HD2 ARG C 33 16.429 9.568 -6.536 1.00 0.00 H new ATOM 0 HD3 ARG C 33 17.856 8.826 -5.841 1.00 0.00 H new ATOM 0 HE ARG C 33 18.897 8.872 -7.923 1.00 0.00 H new ATOM 0 HH11 ARG C 33 15.513 9.818 -8.338 1.00 0.00 H new ATOM 0 HH12 ARG C 33 15.657 9.953 -10.094 1.00 0.00 H new ATOM 0 HH21 ARG C 33 18.996 8.776 -10.161 1.00 0.00 H new ATOM 0 HH22 ARG C 33 17.639 9.359 -11.130 1.00 0.00 H new ATOM 525 N TYR C 34 11.980 7.939 -5.778 1.00 0.00 N ATOM 526 CA TYR C 34 10.813 7.647 -6.594 1.00 0.00 C ATOM 527 C TYR C 34 11.070 8.130 -8.024 1.00 0.00 C ATOM 528 O TYR C 34 11.749 9.123 -8.269 1.00 0.00 O ATOM 529 CB TYR C 34 9.603 8.389 -6.015 1.00 0.00 C ATOM 530 CG TYR C 34 9.283 8.179 -4.544 1.00 0.00 C ATOM 531 CD1 TYR C 34 9.540 6.950 -3.910 1.00 0.00 C ATOM 532 CD2 TYR C 34 8.655 9.210 -3.824 1.00 0.00 C ATOM 533 CE1 TYR C 34 9.074 6.715 -2.602 1.00 0.00 C ATOM 534 CE2 TYR C 34 8.278 9.019 -2.486 1.00 0.00 C ATOM 535 CZ TYR C 34 8.456 7.760 -1.879 1.00 0.00 C ATOM 536 OH TYR C 34 8.057 7.563 -0.595 1.00 0.00 O ATOM 0 H TYR C 34 11.768 8.453 -4.923 1.00 0.00 H new ATOM 0 HA TYR C 34 10.619 6.574 -6.599 1.00 0.00 H new ATOM 0 HB2 TYR C 34 9.756 9.456 -6.176 1.00 0.00 H new ATOM 0 HB3 TYR C 34 8.725 8.102 -6.594 1.00 0.00 H new ATOM 0 HD1 TYR C 34 10.097 6.184 -4.428 1.00 0.00 H new ATOM 0 HD2 TYR C 34 8.461 10.157 -4.305 1.00 0.00 H new ATOM 0 HE1 TYR C 34 9.189 5.739 -2.153 1.00 0.00 H new ATOM 0 HE2 TYR C 34 7.852 9.836 -1.922 1.00 0.00 H new ATOM 0 HH TYR C 34 7.653 8.386 -0.248 1.00 0.00 H new HETATM 546 N NH2 C 35 10.408 7.567 -9.009 1.00 0.00 N TER 549 NH2 C 35 ATOM 550 N GLY B 1 -22.730 1.648 -6.852 1.00 0.00 N ATOM 551 CA GLY B 1 -21.305 1.449 -7.146 1.00 0.00 C ATOM 552 C GLY B 1 -21.063 -0.039 -7.326 1.00 0.00 C ATOM 553 O GLY B 1 -21.814 -0.656 -8.082 1.00 0.00 O ATOM 0 H1 GLY B 1 -23.078 2.481 -7.368 1.00 0.00 H new ATOM 0 H2 GLY B 1 -23.266 0.808 -7.149 1.00 0.00 H new ATOM 0 H3 GLY B 1 -22.856 1.796 -5.830 1.00 0.00 H new ATOM 0 HA2 GLY B 1 -21.023 1.992 -8.048 1.00 0.00 H new ATOM 0 HA3 GLY B 1 -20.691 1.839 -6.334 1.00 0.00 H new ATOM 557 N PRO B 2 -20.024 -0.628 -6.711 1.00 0.00 N ATOM 558 CA PRO B 2 -19.742 -2.057 -6.823 1.00 0.00 C ATOM 559 C PRO B 2 -20.843 -2.872 -6.125 1.00 0.00 C ATOM 560 O PRO B 2 -21.663 -2.319 -5.387 1.00 0.00 O ATOM 561 CB PRO B 2 -18.372 -2.249 -6.164 1.00 0.00 C ATOM 562 CG PRO B 2 -18.316 -1.126 -5.135 1.00 0.00 C ATOM 563 CD PRO B 2 -19.087 0.011 -5.802 1.00 0.00 C ATOM 0 HA PRO B 2 -19.726 -2.404 -7.856 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -18.285 -3.229 -5.695 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -17.562 -2.170 -6.889 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -18.775 -1.423 -4.192 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -17.289 -0.837 -4.912 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -19.611 0.616 -5.062 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -18.413 0.678 -6.340 1.00 0.00 H new ATOM 571 N SER B 3 -20.865 -4.186 -6.348 1.00 0.00 N ATOM 572 CA SER B 3 -21.839 -5.092 -5.751 1.00 0.00 C ATOM 573 C SER B 3 -21.083 -6.211 -5.036 1.00 0.00 C ATOM 574 O SER B 3 -21.288 -6.385 -3.834 1.00 0.00 O ATOM 575 CB SER B 3 -22.841 -5.571 -6.806 1.00 0.00 C ATOM 576 OG SER B 3 -23.561 -4.466 -7.338 1.00 0.00 O ATOM 0 H SER B 3 -20.196 -4.655 -6.958 1.00 0.00 H new ATOM 0 HA SER B 3 -22.446 -4.587 -4.999 1.00 0.00 H new ATOM 0 HB2 SER B 3 -22.316 -6.092 -7.607 1.00 0.00 H new ATOM 0 HB3 SER B 3 -23.534 -6.286 -6.362 1.00 0.00 H new ATOM 0 HG SER B 3 -24.197 -4.784 -8.012 1.00 0.00 H new ATOM 582 N GLN B 4 -20.193 -6.922 -5.734 1.00 0.00 N ATOM 583 CA GLN B 4 -19.368 -7.997 -5.191 1.00 0.00 C ATOM 584 C GLN B 4 -18.045 -8.002 -5.974 1.00 0.00 C ATOM 585 O GLN B 4 -17.926 -8.706 -6.983 1.00 0.00 O ATOM 586 CB GLN B 4 -20.096 -9.361 -5.132 1.00 0.00 C ATOM 587 CG GLN B 4 -20.671 -9.982 -6.421 1.00 0.00 C ATOM 588 CD GLN B 4 -21.814 -9.176 -7.024 1.00 0.00 C ATOM 589 OE1 GLN B 4 -21.623 -8.409 -7.965 1.00 0.00 O ATOM 590 NE2 GLN B 4 -23.005 -9.275 -6.458 1.00 0.00 N ATOM 0 H GLN B 4 -20.024 -6.757 -6.726 1.00 0.00 H new ATOM 0 HA GLN B 4 -19.150 -7.812 -4.139 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -19.399 -10.083 -4.707 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -20.920 -9.259 -4.425 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -19.873 -10.074 -7.158 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -21.023 -10.991 -6.204 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -23.147 -9.916 -5.678 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -23.782 -8.710 -6.802 1.00 0.00 H new ATOM 599 N PRO B 5 -17.105 -7.091 -5.663 1.00 0.00 N ATOM 600 CA PRO B 5 -15.830 -7.031 -6.361 1.00 0.00 C ATOM 601 C PRO B 5 -14.942 -8.218 -5.965 1.00 0.00 C ATOM 602 O PRO B 5 -15.092 -8.792 -4.891 1.00 0.00 O ATOM 603 CB PRO B 5 -15.229 -5.683 -5.965 1.00 0.00 C ATOM 604 CG PRO B 5 -15.726 -5.511 -4.533 1.00 0.00 C ATOM 605 CD PRO B 5 -17.101 -6.180 -4.527 1.00 0.00 C ATOM 0 HA PRO B 5 -15.934 -7.104 -7.444 1.00 0.00 H new ATOM 0 HB2 PRO B 5 -14.140 -5.692 -6.019 1.00 0.00 H new ATOM 0 HB3 PRO B 5 -15.574 -4.878 -6.614 1.00 0.00 H new ATOM 0 HG2 PRO B 5 -15.051 -5.982 -3.818 1.00 0.00 H new ATOM 0 HG3 PRO B 5 -15.795 -4.458 -4.260 1.00 0.00 H new ATOM 0 HD2 PRO B 5 -17.270 -6.718 -3.594 1.00 0.00 H new ATOM 0 HD3 PRO B 5 -17.896 -5.440 -4.617 1.00 0.00 H new ATOM 613 N THR B 6 -13.945 -8.518 -6.795 1.00 0.00 N ATOM 614 CA THR B 6 -13.003 -9.617 -6.587 1.00 0.00 C ATOM 615 C THR B 6 -11.977 -9.307 -5.475 1.00 0.00 C ATOM 616 O THR B 6 -11.172 -10.172 -5.140 1.00 0.00 O ATOM 617 CB THR B 6 -12.376 -9.936 -7.964 1.00 0.00 C ATOM 618 OG1 THR B 6 -11.774 -11.211 -8.046 1.00 0.00 O ATOM 619 CG2 THR B 6 -11.329 -8.913 -8.408 1.00 0.00 C ATOM 0 H THR B 6 -13.765 -7.992 -7.650 1.00 0.00 H new ATOM 0 HA THR B 6 -13.511 -10.507 -6.214 1.00 0.00 H new ATOM 0 HB THR B 6 -13.240 -9.902 -8.628 1.00 0.00 H new ATOM 0 HG1 THR B 6 -11.402 -11.340 -8.944 1.00 0.00 H new ATOM 0 HG21 THR B 6 -10.931 -9.199 -9.382 1.00 0.00 H new ATOM 0 HG22 THR B 6 -11.790 -7.928 -8.480 1.00 0.00 H new ATOM 0 HG23 THR B 6 -10.519 -8.882 -7.680 1.00 0.00 H new ATOM 627 N TYR B 7 -12.004 -8.087 -4.909 1.00 0.00 N ATOM 628 CA TYR B 7 -11.122 -7.573 -3.859 1.00 0.00 C ATOM 629 C TYR B 7 -9.689 -8.118 -3.995 1.00 0.00 C ATOM 630 O TYR B 7 -9.239 -8.920 -3.176 1.00 0.00 O ATOM 631 CB TYR B 7 -11.748 -7.739 -2.463 1.00 0.00 C ATOM 632 CG TYR B 7 -12.794 -6.687 -2.114 1.00 0.00 C ATOM 633 CD1 TYR B 7 -12.506 -5.320 -2.301 1.00 0.00 C ATOM 634 CD2 TYR B 7 -14.041 -7.053 -1.569 1.00 0.00 C ATOM 635 CE1 TYR B 7 -13.439 -4.335 -1.966 1.00 0.00 C ATOM 636 CE2 TYR B 7 -14.964 -6.063 -1.175 1.00 0.00 C ATOM 637 CZ TYR B 7 -14.665 -4.696 -1.372 1.00 0.00 C ATOM 638 OH TYR B 7 -15.556 -3.720 -1.049 1.00 0.00 O ATOM 0 H TYR B 7 -12.692 -7.391 -5.197 1.00 0.00 H new ATOM 0 HA TYR B 7 -11.019 -6.496 -3.994 1.00 0.00 H new ATOM 0 HB2 TYR B 7 -12.207 -8.726 -2.399 1.00 0.00 H new ATOM 0 HB3 TYR B 7 -10.955 -7.707 -1.716 1.00 0.00 H new ATOM 0 HD1 TYR B 7 -11.549 -5.029 -2.710 1.00 0.00 H new ATOM 0 HD2 TYR B 7 -14.291 -8.097 -1.453 1.00 0.00 H new ATOM 0 HE1 TYR B 7 -13.220 -3.296 -2.163 1.00 0.00 H new ATOM 0 HE2 TYR B 7 -15.901 -6.350 -0.722 1.00 0.00 H new ATOM 0 HH TYR B 7 -16.354 -4.125 -0.649 1.00 0.00 H new ATOM 648 N PRO B 8 -8.937 -7.656 -5.009 1.00 0.00 N ATOM 649 CA PRO B 8 -7.575 -8.101 -5.270 1.00 0.00 C ATOM 650 C PRO B 8 -6.586 -7.742 -4.161 1.00 0.00 C ATOM 651 O PRO B 8 -5.615 -8.482 -3.959 1.00 0.00 O ATOM 652 CB PRO B 8 -7.183 -7.425 -6.590 1.00 0.00 C ATOM 653 CG PRO B 8 -8.059 -6.174 -6.628 1.00 0.00 C ATOM 654 CD PRO B 8 -9.348 -6.699 -6.021 1.00 0.00 C ATOM 0 HA PRO B 8 -7.539 -9.189 -5.319 1.00 0.00 H new ATOM 0 HB2 PRO B 8 -6.123 -7.173 -6.612 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -7.374 -8.074 -7.445 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -7.634 -5.356 -6.047 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -8.203 -5.803 -7.643 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -9.933 -5.891 -5.583 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -9.974 -7.172 -6.777 1.00 0.00 H new ATOM 662 N GLY B 9 -6.891 -6.726 -3.352 1.00 0.00 N ATOM 663 CA GLY B 9 -6.012 -6.284 -2.287 1.00 0.00 C ATOM 664 C GLY B 9 -4.809 -5.579 -2.905 1.00 0.00 C ATOM 665 O GLY B 9 -4.849 -5.188 -4.076 1.00 0.00 O ATOM 0 H GLY B 9 -7.757 -6.191 -3.423 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -6.542 -5.608 -1.616 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -5.685 -7.135 -1.689 1.00 0.00 H new TER 669 GLY B 9 ATOM 670 N PRO D 11 6.714 -7.851 -7.875 1.00 0.00 N ATOM 671 CA PRO D 11 8.070 -7.337 -7.718 1.00 0.00 C ATOM 672 C PRO D 11 7.998 -5.882 -7.256 1.00 0.00 C ATOM 673 O PRO D 11 7.083 -5.160 -7.659 1.00 0.00 O ATOM 674 CB PRO D 11 8.730 -7.485 -9.092 1.00 0.00 C ATOM 675 CG PRO D 11 7.540 -7.368 -10.034 1.00 0.00 C ATOM 676 CD PRO D 11 6.426 -8.077 -9.279 1.00 0.00 C ATOM 0 HA PRO D 11 8.652 -7.873 -6.969 1.00 0.00 H new ATOM 0 HB2 PRO D 11 9.471 -6.707 -9.274 1.00 0.00 H new ATOM 0 HB3 PRO D 11 9.240 -8.442 -9.198 1.00 0.00 H new ATOM 0 HG2 PRO D 11 7.289 -6.327 -10.238 1.00 0.00 H new ATOM 0 HG3 PRO D 11 7.740 -7.842 -10.995 1.00 0.00 H new ATOM 0 HD2 PRO D 11 5.449 -7.676 -9.550 1.00 0.00 H new ATOM 0 HD3 PRO D 11 6.409 -9.142 -9.511 1.00 0.00 H new ATOM 684 N VAL D 12 8.964 -5.436 -6.451 1.00 0.00 N ATOM 685 CA VAL D 12 9.002 -4.073 -5.925 1.00 0.00 C ATOM 686 C VAL D 12 8.916 -3.043 -7.057 1.00 0.00 C ATOM 687 O VAL D 12 8.177 -2.071 -6.935 1.00 0.00 O ATOM 688 CB VAL D 12 10.207 -3.912 -4.974 1.00 0.00 C ATOM 689 CG1 VAL D 12 11.575 -3.849 -5.660 1.00 0.00 C ATOM 690 CG2 VAL D 12 10.046 -2.672 -4.095 1.00 0.00 C ATOM 0 H VAL D 12 9.746 -6.015 -6.145 1.00 0.00 H new ATOM 0 HA VAL D 12 8.120 -3.876 -5.316 1.00 0.00 H new ATOM 0 HB VAL D 12 10.198 -4.824 -4.378 1.00 0.00 H new ATOM 0 HG11 VAL D 12 12.355 -3.735 -4.907 1.00 0.00 H new ATOM 0 HG12 VAL D 12 11.743 -4.768 -6.221 1.00 0.00 H new ATOM 0 HG13 VAL D 12 11.602 -2.998 -6.341 1.00 0.00 H new ATOM 0 HG21 VAL D 12 10.908 -2.580 -3.434 1.00 0.00 H new ATOM 0 HG22 VAL D 12 9.977 -1.786 -4.726 1.00 0.00 H new ATOM 0 HG23 VAL D 12 9.139 -2.765 -3.498 1.00 0.00 H new ATOM 700 N GLU D 13 9.519 -3.336 -8.209 1.00 0.00 N ATOM 701 CA GLU D 13 9.535 -2.490 -9.392 1.00 0.00 C ATOM 702 C GLU D 13 8.126 -2.124 -9.857 1.00 0.00 C ATOM 703 O GLU D 13 7.854 -0.956 -10.142 1.00 0.00 O ATOM 704 CB GLU D 13 10.299 -3.263 -10.465 1.00 0.00 C ATOM 705 CG GLU D 13 10.400 -2.553 -11.814 1.00 0.00 C ATOM 706 CD GLU D 13 11.793 -2.698 -12.424 1.00 0.00 C ATOM 707 OE1 GLU D 13 12.416 -3.781 -12.328 1.00 0.00 O ATOM 708 OE2 GLU D 13 12.295 -1.674 -12.944 1.00 0.00 O ATOM 0 H GLU D 13 10.030 -4.208 -8.344 1.00 0.00 H new ATOM 0 HA GLU D 13 10.020 -1.538 -9.175 1.00 0.00 H new ATOM 0 HB2 GLU D 13 11.306 -3.465 -10.100 1.00 0.00 H new ATOM 0 HB3 GLU D 13 9.814 -4.228 -10.613 1.00 0.00 H new ATOM 0 HG2 GLU D 13 9.658 -2.964 -12.498 1.00 0.00 H new ATOM 0 HG3 GLU D 13 10.166 -1.496 -11.688 1.00 0.00 H new ATOM 715 N ASP D 14 7.255 -3.120 -10.023 1.00 0.00 N ATOM 716 CA ASP D 14 5.881 -2.883 -10.458 1.00 0.00 C ATOM 717 C ASP D 14 5.056 -2.411 -9.269 1.00 0.00 C ATOM 718 O ASP D 14 4.147 -1.599 -9.450 1.00 0.00 O ATOM 719 CB ASP D 14 5.251 -4.138 -11.075 1.00 0.00 C ATOM 720 CG ASP D 14 5.880 -4.494 -12.421 1.00 0.00 C ATOM 721 OD1 ASP D 14 5.883 -3.634 -13.332 1.00 0.00 O ATOM 722 OD2 ASP D 14 6.426 -5.616 -12.527 1.00 0.00 O ATOM 0 H ASP D 14 7.479 -4.102 -9.862 1.00 0.00 H new ATOM 0 HA ASP D 14 5.895 -2.116 -11.232 1.00 0.00 H new ATOM 0 HB2 ASP D 14 5.367 -4.976 -10.388 1.00 0.00 H new ATOM 0 HB3 ASP D 14 4.181 -3.979 -11.206 1.00 0.00 H new ATOM 727 N LEU D 15 5.383 -2.878 -8.054 1.00 0.00 N ATOM 728 CA LEU D 15 4.699 -2.513 -6.818 1.00 0.00 C ATOM 729 C LEU D 15 4.854 -1.012 -6.567 1.00 0.00 C ATOM 730 O LEU D 15 4.003 -0.450 -5.897 1.00 0.00 O ATOM 731 CB LEU D 15 5.205 -3.338 -5.614 1.00 0.00 C ATOM 732 CG LEU D 15 4.177 -3.436 -4.461 1.00 0.00 C ATOM 733 CD1 LEU D 15 3.114 -4.508 -4.745 1.00 0.00 C ATOM 734 CD2 LEU D 15 4.865 -3.815 -3.144 1.00 0.00 C ATOM 0 H LEU D 15 6.149 -3.535 -7.908 1.00 0.00 H new ATOM 0 HA LEU D 15 3.640 -2.745 -6.932 1.00 0.00 H new ATOM 0 HB2 LEU D 15 5.458 -4.343 -5.952 1.00 0.00 H new ATOM 0 HB3 LEU D 15 6.123 -2.889 -5.235 1.00 0.00 H new ATOM 0 HG LEU D 15 3.709 -2.455 -4.382 1.00 0.00 H new ATOM 0 HD11 LEU D 15 2.409 -4.550 -3.915 1.00 0.00 H new ATOM 0 HD12 LEU D 15 2.581 -4.258 -5.662 1.00 0.00 H new ATOM 0 HD13 LEU D 15 3.597 -5.478 -4.860 1.00 0.00 H new ATOM 0 HD21 LEU D 15 4.121 -3.877 -2.350 1.00 0.00 H new ATOM 0 HD22 LEU D 15 5.358 -4.781 -3.256 1.00 0.00 H new ATOM 0 HD23 LEU D 15 5.605 -3.057 -2.889 1.00 0.00 H new ATOM 746 N ILE D 16 5.901 -0.340 -7.056 1.00 0.00 N ATOM 747 CA ILE D 16 6.116 1.103 -6.886 1.00 0.00 C ATOM 748 C ILE D 16 5.070 1.849 -7.719 1.00 0.00 C ATOM 749 O ILE D 16 4.387 2.748 -7.221 1.00 0.00 O ATOM 750 CB ILE D 16 7.559 1.463 -7.310 1.00 0.00 C ATOM 751 CG1 ILE D 16 8.558 0.978 -6.238 1.00 0.00 C ATOM 752 CG2 ILE D 16 7.782 2.971 -7.546 1.00 0.00 C ATOM 753 CD1 ILE D 16 9.918 0.641 -6.853 1.00 0.00 C ATOM 0 H ILE D 16 6.640 -0.793 -7.593 1.00 0.00 H new ATOM 0 HA ILE D 16 6.000 1.396 -5.843 1.00 0.00 H new ATOM 0 HB ILE D 16 7.724 0.960 -8.263 1.00 0.00 H new ATOM 0 HG12 ILE D 16 8.682 1.750 -5.478 1.00 0.00 H new ATOM 0 HG13 ILE D 16 8.156 0.098 -5.736 1.00 0.00 H new ATOM 0 HG21 ILE D 16 8.817 3.144 -7.840 1.00 0.00 H new ATOM 0 HG22 ILE D 16 7.117 3.318 -8.337 1.00 0.00 H new ATOM 0 HG23 ILE D 16 7.569 3.518 -6.628 1.00 0.00 H new ATOM 0 HD11 ILE D 16 10.597 0.303 -6.071 1.00 0.00 H new ATOM 0 HD12 ILE D 16 9.796 -0.149 -7.594 1.00 0.00 H new ATOM 0 HD13 ILE D 16 10.330 1.529 -7.333 1.00 0.00 H new ATOM 765 N ARG D 17 4.966 1.507 -9.007 1.00 0.00 N ATOM 766 CA ARG D 17 4.001 2.141 -9.898 1.00 0.00 C ATOM 767 C ARG D 17 2.600 1.869 -9.381 1.00 0.00 C ATOM 768 O ARG D 17 1.796 2.788 -9.254 1.00 0.00 O ATOM 769 CB ARG D 17 4.199 1.645 -11.345 1.00 0.00 C ATOM 770 CG ARG D 17 4.155 2.806 -12.346 1.00 0.00 C ATOM 771 CD ARG D 17 5.458 3.603 -12.263 1.00 0.00 C ATOM 772 NE ARG D 17 5.480 4.714 -13.218 1.00 0.00 N ATOM 773 CZ ARG D 17 6.566 5.143 -13.871 1.00 0.00 C ATOM 774 NH1 ARG D 17 7.774 4.663 -13.576 1.00 0.00 N ATOM 775 NH2 ARG D 17 6.451 6.088 -14.790 1.00 0.00 N ATOM 0 H ARG D 17 5.542 0.792 -9.453 1.00 0.00 H new ATOM 0 HA ARG D 17 4.154 3.220 -9.913 1.00 0.00 H new ATOM 0 HB2 ARG D 17 5.155 1.129 -11.426 1.00 0.00 H new ATOM 0 HB3 ARG D 17 3.423 0.920 -11.592 1.00 0.00 H new ATOM 0 HG2 ARG D 17 4.015 2.423 -13.357 1.00 0.00 H new ATOM 0 HG3 ARG D 17 3.306 3.454 -12.130 1.00 0.00 H new ATOM 0 HD2 ARG D 17 5.583 3.991 -11.252 1.00 0.00 H new ATOM 0 HD3 ARG D 17 6.302 2.941 -12.457 1.00 0.00 H new ATOM 0 HE ARG D 17 4.600 5.197 -13.399 1.00 0.00 H new ATOM 0 HH11 ARG D 17 7.879 3.960 -12.845 1.00 0.00 H new ATOM 0 HH12 ARG D 17 8.594 4.999 -14.082 1.00 0.00 H new ATOM 0 HH21 ARG D 17 5.536 6.487 -14.999 1.00 0.00 H new ATOM 0 HH22 ARG D 17 7.277 6.417 -15.289 1.00 0.00 H new ATOM 789 N PHE D 18 2.340 0.607 -9.062 1.00 0.00 N ATOM 790 CA PHE D 18 1.078 0.136 -8.547 1.00 0.00 C ATOM 791 C PHE D 18 0.701 0.862 -7.258 1.00 0.00 C ATOM 792 O PHE D 18 -0.364 1.458 -7.219 1.00 0.00 O ATOM 793 CB PHE D 18 1.188 -1.375 -8.361 1.00 0.00 C ATOM 794 CG PHE D 18 0.107 -1.979 -7.511 1.00 0.00 C ATOM 795 CD1 PHE D 18 -1.225 -1.962 -7.952 1.00 0.00 C ATOM 796 CD2 PHE D 18 0.436 -2.523 -6.256 1.00 0.00 C ATOM 797 CE1 PHE D 18 -2.225 -2.502 -7.133 1.00 0.00 C ATOM 798 CE2 PHE D 18 -0.561 -3.100 -5.461 1.00 0.00 C ATOM 799 CZ PHE D 18 -1.891 -3.088 -5.906 1.00 0.00 C ATOM 0 H PHE D 18 3.032 -0.136 -9.161 1.00 0.00 H new ATOM 0 HA PHE D 18 0.272 0.352 -9.248 1.00 0.00 H new ATOM 0 HB2 PHE D 18 1.170 -1.851 -9.341 1.00 0.00 H new ATOM 0 HB3 PHE D 18 2.155 -1.604 -7.913 1.00 0.00 H new ATOM 0 HD1 PHE D 18 -1.477 -1.537 -8.913 1.00 0.00 H new ATOM 0 HD2 PHE D 18 1.457 -2.495 -5.906 1.00 0.00 H new ATOM 0 HE1 PHE D 18 -3.257 -2.466 -7.449 1.00 0.00 H new ATOM 0 HE2 PHE D 18 -0.308 -3.551 -4.513 1.00 0.00 H new ATOM 0 HZ PHE D 18 -2.664 -3.534 -5.297 1.00 0.00 H new ATOM 809 N TYR D 19 1.587 0.902 -6.261 1.00 0.00 N ATOM 810 CA TYR D 19 1.388 1.529 -4.957 1.00 0.00 C ATOM 811 C TYR D 19 0.784 2.929 -5.011 1.00 0.00 C ATOM 812 O TYR D 19 -0.169 3.219 -4.286 1.00 0.00 O ATOM 813 CB TYR D 19 2.729 1.593 -4.206 1.00 0.00 C ATOM 814 CG TYR D 19 2.678 2.448 -2.965 1.00 0.00 C ATOM 815 CD1 TYR D 19 2.199 1.872 -1.783 1.00 0.00 C ATOM 816 CD2 TYR D 19 3.019 3.818 -3.008 1.00 0.00 C ATOM 817 CE1 TYR D 19 2.010 2.678 -0.656 1.00 0.00 C ATOM 818 CE2 TYR D 19 2.817 4.632 -1.879 1.00 0.00 C ATOM 819 CZ TYR D 19 2.295 4.065 -0.702 1.00 0.00 C ATOM 820 OH TYR D 19 2.057 4.870 0.367 1.00 0.00 O ATOM 0 H TYR D 19 2.509 0.475 -6.348 1.00 0.00 H new ATOM 0 HA TYR D 19 0.664 0.902 -4.437 1.00 0.00 H new ATOM 0 HB2 TYR D 19 3.032 0.583 -3.930 1.00 0.00 H new ATOM 0 HB3 TYR D 19 3.495 1.983 -4.876 1.00 0.00 H new ATOM 0 HD1 TYR D 19 1.978 0.816 -1.742 1.00 0.00 H new ATOM 0 HD2 TYR D 19 3.436 4.241 -3.910 1.00 0.00 H new ATOM 0 HE1 TYR D 19 1.643 2.238 0.260 1.00 0.00 H new ATOM 0 HE2 TYR D 19 3.061 5.684 -1.915 1.00 0.00 H new ATOM 0 HH TYR D 19 2.316 5.789 0.148 1.00 0.00 H new ATOM 830 N ASN D 20 1.406 3.805 -5.798 1.00 0.00 N ATOM 831 CA ASN D 20 0.975 5.190 -5.921 1.00 0.00 C ATOM 832 C ASN D 20 -0.466 5.269 -6.407 1.00 0.00 C ATOM 833 O ASN D 20 -1.293 5.931 -5.790 1.00 0.00 O ATOM 834 CB ASN D 20 1.944 5.939 -6.846 1.00 0.00 C ATOM 835 CG ASN D 20 2.069 7.427 -6.516 1.00 0.00 C ATOM 836 OD1 ASN D 20 1.132 8.091 -6.077 1.00 0.00 O ATOM 837 ND2 ASN D 20 3.278 7.961 -6.596 1.00 0.00 N ATOM 0 H ASN D 20 2.221 3.572 -6.366 1.00 0.00 H new ATOM 0 HA ASN D 20 0.997 5.671 -4.943 1.00 0.00 H new ATOM 0 HB2 ASN D 20 2.929 5.476 -6.781 1.00 0.00 H new ATOM 0 HB3 ASN D 20 1.608 5.830 -7.877 1.00 0.00 H new ATOM 0 HD21 ASN D 20 3.432 8.923 -6.293 1.00 0.00 H new ATOM 0 HD22 ASN D 20 4.056 7.410 -6.960 1.00 0.00 H new ATOM 844 N ASP D 21 -0.787 4.518 -7.459 1.00 0.00 N ATOM 845 CA ASP D 21 -2.125 4.492 -8.038 1.00 0.00 C ATOM 846 C ASP D 21 -3.119 3.703 -7.177 1.00 0.00 C ATOM 847 O ASP D 21 -4.311 4.023 -7.160 1.00 0.00 O ATOM 848 CB ASP D 21 -2.044 3.967 -9.475 1.00 0.00 C ATOM 849 CG ASP D 21 -1.793 5.130 -10.435 1.00 0.00 C ATOM 850 OD1 ASP D 21 -2.726 5.941 -10.628 1.00 0.00 O ATOM 851 OD2 ASP D 21 -0.661 5.263 -10.964 1.00 0.00 O ATOM 0 H ASP D 21 -0.122 3.908 -7.934 1.00 0.00 H new ATOM 0 HA ASP D 21 -2.516 5.509 -8.063 1.00 0.00 H new ATOM 0 HB2 ASP D 21 -1.242 3.233 -9.560 1.00 0.00 H new ATOM 0 HB3 ASP D 21 -2.971 3.458 -9.739 1.00 0.00 H new ATOM 856 N LEU D 22 -2.648 2.739 -6.379 1.00 0.00 N ATOM 857 CA LEU D 22 -3.430 1.900 -5.472 1.00 0.00 C ATOM 858 C LEU D 22 -4.108 2.777 -4.416 1.00 0.00 C ATOM 859 O LEU D 22 -5.112 2.375 -3.828 1.00 0.00 O ATOM 860 CB LEU D 22 -2.523 0.786 -4.894 1.00 0.00 C ATOM 861 CG LEU D 22 -2.798 0.325 -3.449 1.00 0.00 C ATOM 862 CD1 LEU D 22 -2.243 -1.077 -3.206 1.00 0.00 C ATOM 863 CD2 LEU D 22 -2.129 1.224 -2.406 1.00 0.00 C ATOM 0 H LEU D 22 -1.654 2.512 -6.349 1.00 0.00 H new ATOM 0 HA LEU D 22 -4.237 1.391 -5.999 1.00 0.00 H new ATOM 0 HB2 LEU D 22 -2.602 -0.084 -5.546 1.00 0.00 H new ATOM 0 HB3 LEU D 22 -1.490 1.131 -4.947 1.00 0.00 H new ATOM 0 HG LEU D 22 -3.882 0.360 -3.342 1.00 0.00 H new ATOM 0 HD11 LEU D 22 -2.451 -1.378 -2.179 1.00 0.00 H new ATOM 0 HD12 LEU D 22 -2.716 -1.779 -3.892 1.00 0.00 H new ATOM 0 HD13 LEU D 22 -1.166 -1.076 -3.373 1.00 0.00 H new ATOM 0 HD21 LEU D 22 -2.356 0.853 -1.407 1.00 0.00 H new ATOM 0 HD22 LEU D 22 -1.050 1.218 -2.559 1.00 0.00 H new ATOM 0 HD23 LEU D 22 -2.504 2.242 -2.509 1.00 0.00 H new ATOM 875 N GLN D 23 -3.646 4.016 -4.224 1.00 0.00 N ATOM 876 CA GLN D 23 -4.242 4.930 -3.268 1.00 0.00 C ATOM 877 C GLN D 23 -5.726 5.157 -3.617 1.00 0.00 C ATOM 878 O GLN D 23 -6.540 5.425 -2.727 1.00 0.00 O ATOM 879 CB GLN D 23 -3.399 6.206 -3.220 1.00 0.00 C ATOM 880 CG GLN D 23 -3.726 7.253 -4.292 1.00 0.00 C ATOM 881 CD GLN D 23 -2.756 8.429 -4.240 1.00 0.00 C ATOM 882 OE1 GLN D 23 -2.185 8.840 -5.248 1.00 0.00 O ATOM 883 NE2 GLN D 23 -2.680 9.111 -3.108 1.00 0.00 N ATOM 0 H GLN D 23 -2.850 4.405 -4.730 1.00 0.00 H new ATOM 0 HA GLN D 23 -4.241 4.515 -2.260 1.00 0.00 H new ATOM 0 HB2 GLN D 23 -3.522 6.665 -2.239 1.00 0.00 H new ATOM 0 HB3 GLN D 23 -2.349 5.931 -3.314 1.00 0.00 H new ATOM 0 HG2 GLN D 23 -3.686 6.790 -5.278 1.00 0.00 H new ATOM 0 HG3 GLN D 23 -4.745 7.614 -4.151 1.00 0.00 H new ATOM 0 HE21 GLN D 23 -3.155 8.768 -2.273 1.00 0.00 H new ATOM 0 HE22 GLN D 23 -2.147 9.980 -3.071 1.00 0.00 H new ATOM 892 N GLN D 24 -6.076 5.039 -4.906 1.00 0.00 N ATOM 893 CA GLN D 24 -7.440 5.178 -5.407 1.00 0.00 C ATOM 894 C GLN D 24 -8.259 3.927 -5.067 1.00 0.00 C ATOM 895 O GLN D 24 -9.477 4.035 -4.974 1.00 0.00 O ATOM 896 CB GLN D 24 -7.485 5.344 -6.934 1.00 0.00 C ATOM 897 CG GLN D 24 -6.940 6.669 -7.470 1.00 0.00 C ATOM 898 CD GLN D 24 -7.303 6.805 -8.949 1.00 0.00 C ATOM 899 OE1 GLN D 24 -6.801 6.072 -9.795 1.00 0.00 O ATOM 900 NE2 GLN D 24 -8.308 7.587 -9.285 1.00 0.00 N ATOM 0 H GLN D 24 -5.398 4.840 -5.642 1.00 0.00 H new ATOM 0 HA GLN D 24 -7.851 6.068 -4.932 1.00 0.00 H new ATOM 0 HB2 GLN D 24 -6.920 4.529 -7.387 1.00 0.00 H new ATOM 0 HB3 GLN D 24 -8.519 5.237 -7.263 1.00 0.00 H new ATOM 0 HG2 GLN D 24 -7.356 7.502 -6.904 1.00 0.00 H new ATOM 0 HG3 GLN D 24 -5.858 6.707 -7.345 1.00 0.00 H new ATOM 0 HE21 GLN D 24 -8.732 8.200 -8.589 1.00 0.00 H new ATOM 0 HE22 GLN D 24 -8.662 7.580 -10.241 1.00 0.00 H new ATOM 909 N TYR D 25 -7.657 2.731 -5.032 1.00 0.00 N ATOM 910 CA TYR D 25 -8.364 1.491 -4.703 1.00 0.00 C ATOM 911 C TYR D 25 -8.867 1.594 -3.269 1.00 0.00 C ATOM 912 O TYR D 25 -10.053 1.381 -3.019 1.00 0.00 O ATOM 913 CB TYR D 25 -7.455 0.264 -4.877 1.00 0.00 C ATOM 914 CG TYR D 25 -8.004 -1.032 -4.301 1.00 0.00 C ATOM 915 CD1 TYR D 25 -7.703 -1.396 -2.972 1.00 0.00 C ATOM 916 CD2 TYR D 25 -8.740 -1.918 -5.109 1.00 0.00 C ATOM 917 CE1 TYR D 25 -8.071 -2.654 -2.473 1.00 0.00 C ATOM 918 CE2 TYR D 25 -9.145 -3.165 -4.605 1.00 0.00 C ATOM 919 CZ TYR D 25 -8.786 -3.552 -3.294 1.00 0.00 C ATOM 920 OH TYR D 25 -9.113 -4.791 -2.833 1.00 0.00 O ATOM 0 H TYR D 25 -6.666 2.598 -5.231 1.00 0.00 H new ATOM 0 HA TYR D 25 -9.204 1.360 -5.385 1.00 0.00 H new ATOM 0 HB2 TYR D 25 -7.266 0.119 -5.941 1.00 0.00 H new ATOM 0 HB3 TYR D 25 -6.494 0.474 -4.408 1.00 0.00 H new ATOM 0 HD1 TYR D 25 -7.184 -0.698 -2.332 1.00 0.00 H new ATOM 0 HD2 TYR D 25 -8.995 -1.638 -6.121 1.00 0.00 H new ATOM 0 HE1 TYR D 25 -7.808 -2.935 -1.464 1.00 0.00 H new ATOM 0 HE2 TYR D 25 -9.732 -3.830 -5.221 1.00 0.00 H new ATOM 0 HH TYR D 25 -9.674 -4.705 -2.034 1.00 0.00 H new ATOM 930 N LEU D 26 -7.980 2.005 -2.353 1.00 0.00 N ATOM 931 CA LEU D 26 -8.301 2.166 -0.938 1.00 0.00 C ATOM 932 C LEU D 26 -9.468 3.143 -0.773 1.00 0.00 C ATOM 933 O LEU D 26 -10.413 2.841 -0.048 1.00 0.00 O ATOM 934 CB LEU D 26 -7.047 2.602 -0.148 1.00 0.00 C ATOM 935 CG LEU D 26 -6.635 1.538 0.889 1.00 0.00 C ATOM 936 CD1 LEU D 26 -5.227 1.807 1.407 1.00 0.00 C ATOM 937 CD2 LEU D 26 -7.590 1.520 2.084 1.00 0.00 C ATOM 0 H LEU D 26 -7.013 2.236 -2.580 1.00 0.00 H new ATOM 0 HA LEU D 26 -8.619 1.209 -0.524 1.00 0.00 H new ATOM 0 HB2 LEU D 26 -6.222 2.776 -0.839 1.00 0.00 H new ATOM 0 HB3 LEU D 26 -7.244 3.547 0.358 1.00 0.00 H new ATOM 0 HG LEU D 26 -6.671 0.573 0.383 1.00 0.00 H new ATOM 0 HD11 LEU D 26 -4.956 1.045 2.137 1.00 0.00 H new ATOM 0 HD12 LEU D 26 -4.522 1.780 0.576 1.00 0.00 H new ATOM 0 HD13 LEU D 26 -5.194 2.789 1.879 1.00 0.00 H new ATOM 0 HD21 LEU D 26 -7.269 0.758 2.795 1.00 0.00 H new ATOM 0 HD22 LEU D 26 -7.583 2.496 2.570 1.00 0.00 H new ATOM 0 HD23 LEU D 26 -8.599 1.293 1.740 1.00 0.00 H new ATOM 949 N ASN D 27 -9.489 4.210 -1.583 1.00 0.00 N ATOM 950 CA ASN D 27 -10.538 5.228 -1.573 1.00 0.00 C ATOM 951 C ASN D 27 -11.909 4.603 -1.839 1.00 0.00 C ATOM 952 O ASN D 27 -12.904 5.078 -1.290 1.00 0.00 O ATOM 953 CB ASN D 27 -10.261 6.310 -2.633 1.00 0.00 C ATOM 954 CG ASN D 27 -9.663 7.588 -2.073 1.00 0.00 C ATOM 955 OD1 ASN D 27 -10.381 8.441 -1.561 1.00 0.00 O ATOM 956 ND2 ASN D 27 -8.372 7.810 -2.267 1.00 0.00 N ATOM 0 H ASN D 27 -8.762 4.389 -2.275 1.00 0.00 H new ATOM 0 HA ASN D 27 -10.540 5.686 -0.584 1.00 0.00 H new ATOM 0 HB2 ASN D 27 -9.583 5.903 -3.384 1.00 0.00 H new ATOM 0 HB3 ASN D 27 -11.194 6.551 -3.143 1.00 0.00 H new ATOM 0 HD21 ASN D 27 -7.960 8.701 -1.989 1.00 0.00 H new ATOM 0 HD22 ASN D 27 -7.789 7.090 -2.694 1.00 0.00 H new ATOM 963 N VAL D 28 -11.996 3.586 -2.708 1.00 0.00 N ATOM 964 CA VAL D 28 -13.261 2.923 -3.013 1.00 0.00 C ATOM 965 C VAL D 28 -13.739 2.182 -1.769 1.00 0.00 C ATOM 966 O VAL D 28 -14.888 2.356 -1.363 1.00 0.00 O ATOM 967 CB VAL D 28 -13.158 1.923 -4.193 1.00 0.00 C ATOM 968 CG1 VAL D 28 -14.558 1.549 -4.709 1.00 0.00 C ATOM 969 CG2 VAL D 28 -12.345 2.462 -5.370 1.00 0.00 C ATOM 0 H VAL D 28 -11.195 3.206 -3.213 1.00 0.00 H new ATOM 0 HA VAL D 28 -13.968 3.696 -3.314 1.00 0.00 H new ATOM 0 HB VAL D 28 -12.643 1.049 -3.794 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -14.465 0.846 -5.537 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -15.131 1.088 -3.905 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -15.072 2.447 -5.052 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -12.311 1.714 -6.162 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -12.812 3.371 -5.749 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -11.331 2.686 -5.039 1.00 0.00 H new ATOM 979 N VAL D 29 -12.870 1.356 -1.183 1.00 0.00 N ATOM 980 CA VAL D 29 -13.171 0.552 -0.010 1.00 0.00 C ATOM 981 C VAL D 29 -13.620 1.434 1.157 1.00 0.00 C ATOM 982 O VAL D 29 -14.725 1.219 1.665 1.00 0.00 O ATOM 983 CB VAL D 29 -11.988 -0.373 0.333 1.00 0.00 C ATOM 984 CG1 VAL D 29 -12.445 -1.468 1.304 1.00 0.00 C ATOM 985 CG2 VAL D 29 -11.403 -1.090 -0.891 1.00 0.00 C ATOM 0 H VAL D 29 -11.917 1.229 -1.523 1.00 0.00 H new ATOM 0 HA VAL D 29 -14.014 -0.102 -0.231 1.00 0.00 H new ATOM 0 HB VAL D 29 -11.225 0.275 0.764 1.00 0.00 H new ATOM 0 HG11 VAL D 29 -11.603 -2.118 1.542 1.00 0.00 H new ATOM 0 HG12 VAL D 29 -12.819 -1.010 2.219 1.00 0.00 H new ATOM 0 HG13 VAL D 29 -13.238 -2.056 0.842 1.00 0.00 H new ATOM 0 HG21 VAL D 29 -10.574 -1.725 -0.579 1.00 0.00 H new ATOM 0 HG22 VAL D 29 -12.174 -1.703 -1.357 1.00 0.00 H new ATOM 0 HG23 VAL D 29 -11.045 -0.352 -1.608 1.00 0.00 H new ATOM 995 N THR D 30 -12.850 2.460 1.530 1.00 0.00 N ATOM 996 CA THR D 30 -13.208 3.363 2.626 1.00 0.00 C ATOM 997 C THR D 30 -14.317 4.331 2.250 1.00 0.00 C ATOM 998 O THR D 30 -14.884 4.982 3.130 1.00 0.00 O ATOM 999 CB THR D 30 -11.974 4.165 3.078 1.00 0.00 C ATOM 1000 OG1 THR D 30 -11.477 4.981 2.032 1.00 0.00 O ATOM 1001 CG2 THR D 30 -10.853 3.241 3.543 1.00 0.00 C ATOM 0 H THR D 30 -11.963 2.687 1.081 1.00 0.00 H new ATOM 0 HA THR D 30 -13.574 2.736 3.439 1.00 0.00 H new ATOM 0 HB THR D 30 -12.298 4.793 3.908 1.00 0.00 H new ATOM 0 HG1 THR D 30 -10.570 5.279 2.252 1.00 0.00 H new ATOM 0 HG21 THR D 30 -9.996 3.837 3.856 1.00 0.00 H new ATOM 0 HG22 THR D 30 -11.202 2.639 4.382 1.00 0.00 H new ATOM 0 HG23 THR D 30 -10.559 2.585 2.724 1.00 0.00 H new ATOM 1009 N ARG D 31 -14.678 4.363 0.968 1.00 0.00 N ATOM 1010 CA ARG D 31 -15.678 5.248 0.386 1.00 0.00 C ATOM 1011 C ARG D 31 -15.294 6.676 0.795 1.00 0.00 C ATOM 1012 O ARG D 31 -16.118 7.443 1.284 1.00 0.00 O ATOM 1013 CB ARG D 31 -17.082 4.757 0.772 1.00 0.00 C ATOM 1014 CG ARG D 31 -18.192 5.446 -0.025 1.00 0.00 C ATOM 1015 CD ARG D 31 -19.522 4.716 0.192 1.00 0.00 C ATOM 1016 NE ARG D 31 -20.639 5.384 -0.498 1.00 0.00 N ATOM 1017 CZ ARG D 31 -21.243 6.512 -0.105 1.00 0.00 C ATOM 1018 NH1 ARG D 31 -20.833 7.144 0.987 1.00 0.00 N ATOM 1019 NH2 ARG D 31 -22.255 7.004 -0.808 1.00 0.00 N ATOM 0 H ARG D 31 -14.259 3.741 0.276 1.00 0.00 H new ATOM 0 HA ARG D 31 -15.705 5.244 -0.704 1.00 0.00 H new ATOM 0 HB2 ARG D 31 -17.142 3.680 0.613 1.00 0.00 H new ATOM 0 HB3 ARG D 31 -17.243 4.931 1.836 1.00 0.00 H new ATOM 0 HG2 ARG D 31 -18.283 6.486 0.287 1.00 0.00 H new ATOM 0 HG3 ARG D 31 -17.940 5.452 -1.085 1.00 0.00 H new ATOM 0 HD2 ARG D 31 -19.435 3.691 -0.168 1.00 0.00 H new ATOM 0 HD3 ARG D 31 -19.736 4.662 1.259 1.00 0.00 H new ATOM 0 HE ARG D 31 -20.983 4.947 -1.353 1.00 0.00 H new ATOM 0 HH11 ARG D 31 -20.055 6.771 1.530 1.00 0.00 H new ATOM 0 HH12 ARG D 31 -21.296 8.003 1.283 1.00 0.00 H new ATOM 0 HH21 ARG D 31 -22.574 6.523 -1.649 1.00 0.00 H new ATOM 0 HH22 ARG D 31 -22.714 7.864 -0.507 1.00 0.00 H new ATOM 1033 N HIS D 32 -13.987 6.966 0.702 1.00 0.00 N ATOM 1034 CA HIS D 32 -13.315 8.218 1.038 1.00 0.00 C ATOM 1035 C HIS D 32 -13.446 8.602 2.531 1.00 0.00 C ATOM 1036 O HIS D 32 -12.914 9.623 2.979 1.00 0.00 O ATOM 1037 CB HIS D 32 -13.787 9.315 0.070 1.00 0.00 C ATOM 1038 CG HIS D 32 -12.935 10.552 0.107 1.00 0.00 C ATOM 1039 ND1 HIS D 32 -11.642 10.653 -0.348 1.00 0.00 N ATOM 1040 CD2 HIS D 32 -13.292 11.761 0.636 1.00 0.00 C ATOM 1041 CE1 HIS D 32 -11.220 11.900 -0.090 1.00 0.00 C ATOM 1042 NE2 HIS D 32 -12.188 12.610 0.518 1.00 0.00 N ATOM 0 H HIS D 32 -13.324 6.270 0.361 1.00 0.00 H new ATOM 0 HA HIS D 32 -12.241 8.086 0.905 1.00 0.00 H new ATOM 0 HB2 HIS D 32 -13.791 8.916 -0.944 1.00 0.00 H new ATOM 0 HB3 HIS D 32 -14.815 9.584 0.311 1.00 0.00 H new ATOM 0 HD1 HIS D 32 -11.102 9.915 -0.799 1.00 0.00 H new ATOM 0 HD2 HIS D 32 -14.250 12.013 1.066 1.00 0.00 H new ATOM 0 HE1 HIS D 32 -10.240 12.281 -0.336 1.00 0.00 H new ATOM 1050 N ARG D 33 -14.048 7.749 3.364 1.00 0.00 N ATOM 1051 CA ARG D 33 -14.266 7.974 4.786 1.00 0.00 C ATOM 1052 C ARG D 33 -13.096 7.462 5.626 1.00 0.00 C ATOM 1053 O ARG D 33 -13.243 6.530 6.420 1.00 0.00 O ATOM 1054 CB ARG D 33 -15.624 7.342 5.153 1.00 0.00 C ATOM 1055 CG ARG D 33 -16.344 8.044 6.313 1.00 0.00 C ATOM 1056 CD ARG D 33 -16.631 9.515 5.963 1.00 0.00 C ATOM 1057 NE ARG D 33 -17.897 9.996 6.525 1.00 0.00 N ATOM 1058 CZ ARG D 33 -18.154 10.364 7.781 1.00 0.00 C ATOM 1059 NH1 ARG D 33 -17.224 10.290 8.726 1.00 0.00 N ATOM 1060 NH2 ARG D 33 -19.359 10.828 8.076 1.00 0.00 N ATOM 0 H ARG D 33 -14.409 6.849 3.049 1.00 0.00 H new ATOM 0 HA ARG D 33 -14.307 9.040 5.010 1.00 0.00 H new ATOM 0 HB2 ARG D 33 -16.270 7.357 4.275 1.00 0.00 H new ATOM 0 HB3 ARG D 33 -15.468 6.296 5.415 1.00 0.00 H new ATOM 0 HG2 ARG D 33 -17.279 7.528 6.533 1.00 0.00 H new ATOM 0 HG3 ARG D 33 -15.731 7.992 7.213 1.00 0.00 H new ATOM 0 HD2 ARG D 33 -15.815 10.137 6.332 1.00 0.00 H new ATOM 0 HD3 ARG D 33 -16.654 9.628 4.879 1.00 0.00 H new ATOM 0 HE ARG D 33 -18.680 10.057 5.874 1.00 0.00 H new ATOM 0 HH11 ARG D 33 -16.291 9.946 8.498 1.00 0.00 H new ATOM 0 HH12 ARG D 33 -17.442 10.577 9.680 1.00 0.00 H new ATOM 0 HH21 ARG D 33 -20.070 10.899 7.349 1.00 0.00 H new ATOM 0 HH22 ARG D 33 -19.575 11.115 9.031 1.00 0.00 H new ATOM 1074 N TYR D 34 -11.905 8.008 5.391 1.00 0.00 N ATOM 1075 CA TYR D 34 -10.705 7.633 6.131 1.00 0.00 C ATOM 1076 C TYR D 34 -10.872 8.016 7.604 1.00 0.00 C ATOM 1077 O TYR D 34 -11.758 8.790 7.964 1.00 0.00 O ATOM 1078 CB TYR D 34 -9.487 8.326 5.510 1.00 0.00 C ATOM 1079 CG TYR D 34 -9.151 7.785 4.138 1.00 0.00 C ATOM 1080 CD1 TYR D 34 -8.456 6.565 4.032 1.00 0.00 C ATOM 1081 CD2 TYR D 34 -9.554 8.471 2.976 1.00 0.00 C ATOM 1082 CE1 TYR D 34 -8.145 6.036 2.772 1.00 0.00 C ATOM 1083 CE2 TYR D 34 -9.240 7.947 1.711 1.00 0.00 C ATOM 1084 CZ TYR D 34 -8.518 6.737 1.609 1.00 0.00 C ATOM 1085 OH TYR D 34 -8.177 6.246 0.396 1.00 0.00 O ATOM 0 H TYR D 34 -11.746 8.723 4.681 1.00 0.00 H new ATOM 0 HA TYR D 34 -10.551 6.555 6.075 1.00 0.00 H new ATOM 0 HB2 TYR D 34 -9.679 9.396 5.438 1.00 0.00 H new ATOM 0 HB3 TYR D 34 -8.627 8.200 6.167 1.00 0.00 H new ATOM 0 HD1 TYR D 34 -8.161 6.035 4.925 1.00 0.00 H new ATOM 0 HD2 TYR D 34 -10.103 9.397 3.057 1.00 0.00 H new ATOM 0 HE1 TYR D 34 -7.621 5.095 2.693 1.00 0.00 H new ATOM 0 HE2 TYR D 34 -9.550 8.469 0.818 1.00 0.00 H new ATOM 0 HH TYR D 34 -7.340 5.742 0.471 1.00 0.00 H new HETATM 1095 N NH2 D 35 -10.002 7.541 8.479 1.00 0.00 N TER 1098 NH2 D 35 HETATM 1099 N ZAB A 10 3.914 -5.952 2.471 1.00 0.00 N HETATM 1100 CA ZAB A 10 2.664 -5.274 2.767 1.00 0.00 C HETATM 1101 CB ZAB A 10 1.648 -6.262 3.290 1.00 0.00 C HETATM 1102 CG2 ZAB A 10 0.559 -6.653 2.489 1.00 0.00 C HETATM 1103 CD2 ZAB A 10 -0.423 -7.517 3.007 1.00 0.00 C HETATM 1104 CE ZAB A 10 -0.324 -7.983 4.331 1.00 0.00 C HETATM 1105 CD1 ZAB A 10 0.794 -7.629 5.114 1.00 0.00 C HETATM 1106 CG1 ZAB A 10 1.781 -6.774 4.594 1.00 0.00 C HETATM 1107 NG ZAB A 10 0.926 -8.055 6.424 1.00 0.00 N HETATM 1108 NI ZAB A 10 0.158 -7.929 7.457 1.00 0.00 N HETATM 1109 CI ZAB A 10 -1.069 -7.311 7.598 1.00 0.00 C HETATM 1110 CJ2 ZAB A 10 -1.147 -5.961 7.981 1.00 0.00 C HETATM 1111 CK2 ZAB A 10 -2.407 -5.343 8.088 1.00 0.00 C HETATM 1112 CL ZAB A 10 -3.579 -6.069 7.799 1.00 0.00 C HETATM 1113 CK1 ZAB A 10 -3.494 -7.428 7.415 1.00 0.00 C HETATM 1114 CJ1 ZAB A 10 -2.233 -8.045 7.330 1.00 0.00 C HETATM 1115 CM ZAB A 10 -4.715 -8.277 7.099 1.00 0.00 C HETATM 1116 C ZAB A 10 -6.059 -7.562 6.960 1.00 0.00 C HETATM 1117 O ZAB A 10 -6.414 -7.194 5.839 1.00 0.00 O HETATM 0 HM3 ZAB A 10 -4.521 -8.811 6.169 1.00 0.00 H new HETATM 0 HM2 ZAB A 10 -4.814 -9.028 7.883 1.00 0.00 H new HETATM 0 HL ZAB A 10 -4.552 -5.583 7.871 1.00 0.00 H new HETATM 0 HK2 ZAB A 10 -2.476 -4.300 8.395 1.00 0.00 H new HETATM 0 HJ2 ZAB A 10 -0.239 -5.397 8.194 1.00 0.00 H new HETATM 0 HJ1 ZAB A 10 -2.160 -9.097 7.055 1.00 0.00 H new HETATM 0 HG2 ZAB A 10 0.476 -6.286 1.466 1.00 0.00 H new HETATM 0 HG1 ZAB A 10 2.648 -6.508 5.199 1.00 0.00 H new HETATM 0 HE ZAB A 10 -1.108 -8.615 4.749 1.00 0.00 H new HETATM 0 HD2 ZAB A 10 -1.261 -7.826 2.382 1.00 0.00 H new HETATM 0 HA3 ZAB A 10 2.833 -4.489 3.505 1.00 0.00 H new HETATM 0 HA2 ZAB A 10 2.282 -4.790 1.868 1.00 0.00 H new HETATM 1131 N ZAB B 110 -3.736 -5.440 -2.127 1.00 0.00 N HETATM 1132 CA ZAB B 110 -2.501 -4.788 -2.520 1.00 0.00 C HETATM 1133 CB ZAB B 110 -1.556 -5.729 -3.238 1.00 0.00 C HETATM 1134 CG2 ZAB B 110 -0.386 -6.158 -2.589 1.00 0.00 C HETATM 1135 CD2 ZAB B 110 0.555 -6.945 -3.273 1.00 0.00 C HETATM 1136 CE ZAB B 110 0.319 -7.323 -4.603 1.00 0.00 C HETATM 1137 CD1 ZAB B 110 -0.851 -6.898 -5.259 1.00 0.00 C HETATM 1138 CG1 ZAB B 110 -1.798 -6.116 -4.572 1.00 0.00 C HETATM 1139 NG ZAB B 110 -1.084 -7.237 -6.583 1.00 0.00 N HETATM 1140 NI ZAB B 110 -0.332 -7.240 -7.639 1.00 0.00 N HETATM 1141 CI ZAB B 110 0.992 -6.886 -7.805 1.00 0.00 C HETATM 1142 CJ2 ZAB B 110 1.309 -5.601 -8.270 1.00 0.00 C HETATM 1143 CK2 ZAB B 110 2.657 -5.226 -8.398 1.00 0.00 C HETATM 1144 CL ZAB B 110 3.677 -6.123 -8.029 1.00 0.00 C HETATM 1145 CK1 ZAB B 110 3.355 -7.415 -7.557 1.00 0.00 C HETATM 1146 CJ1 ZAB B 110 2.005 -7.801 -7.479 1.00 0.00 C HETATM 1147 CM ZAB B 110 4.414 -8.432 -7.153 1.00 0.00 C HETATM 1148 C ZAB B 110 5.826 -7.921 -6.867 1.00 0.00 C HETATM 1149 O ZAB B 110 6.124 -7.621 -5.706 1.00 0.00 O HETATM 0 HM3 ZAB B 110 4.058 -8.948 -6.261 1.00 0.00 H new HETATM 0 HM2 ZAB B 110 4.482 -9.176 -7.946 1.00 0.00 H new HETATM 0 HL ZAB B 110 4.721 -5.819 -8.108 1.00 0.00 H new HETATM 0 HK2 ZAB B 110 2.913 -4.239 -8.784 1.00 0.00 H new HETATM 0 HJ2 ZAB B 110 0.516 -4.899 -8.530 1.00 0.00 H new HETATM 0 HJ1 ZAB B 110 1.745 -8.812 -7.165 1.00 0.00 H new HETATM 0 HG2 ZAB B 110 -0.208 -5.879 -1.550 1.00 0.00 H new HETATM 0 HG1 ZAB B 110 -2.718 -5.810 -5.071 1.00 0.00 H new HETATM 0 HE ZAB B 110 1.042 -7.946 -5.129 1.00 0.00 H new HETATM 0 HD2 ZAB B 110 1.469 -7.262 -2.770 1.00 0.00 H new HETATM 0 HA3 ZAB B 110 -2.730 -3.942 -3.168 1.00 0.00 H new HETATM 0 HA2 ZAB B 110 -2.007 -4.387 -1.635 1.00 0.00 H new