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 27 ASN : amide:sc= -0.387 K(o=-0.75,f=-2.7!) USER MOD Set 1.2: D 32 HIS : no HD1:sc= -0.368 X(o=-0.75,f=-0.33) USER MOD Set 1.3: D 34 TYR OH : rot 153:sc= 0 USER MOD Set 2.1: C 27 ASN : amide:sc= -0.176 K(o=-0.18,f=-0.83) USER MOD Set 2.2: C 32 HIS : no HD1:sc= 0 X(o=-0.18,f=-0.18) USER MOD Single : A 1 GLY N :NH3+ 147:sc= 0.0304 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 165:sc= 0 USER MOD Single : B 1 GLY N :NH3+ -126:sc= 0.196 (180deg=0) USER MOD Single : B 3 SER OG : rot 180:sc= 0 USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,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 180:sc= -0.0129 USER MOD Single : C 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 23 GLN : amide:sc= -0.287 X(o=-0.29,f=-0.15) USER MOD Single : C 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 25 TYR OH : rot 164:sc= 0.396 USER MOD Single : C 30 THR OG1 : rot -65:sc= 1.17 USER MOD Single : C 34 TYR OH : rot 180:sc= 0 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) USER MOD Single : D 23 GLN : amide:sc= -0.277 X(o=-0.28,f=-0.12) USER MOD Single : D 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 25 TYR OH : rot 147:sc= 0.00598 USER MOD Single : D 30 THR OG1 : rot -76:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.568 -0.461 4.761 1.00 0.00 N ATOM 2 CA GLY A 1 23.603 -1.233 3.970 1.00 0.00 C ATOM 3 C GLY A 1 23.007 -2.334 4.830 1.00 0.00 C ATOM 4 O GLY A 1 23.755 -2.981 5.562 1.00 0.00 O ATOM 0 H1 GLY A 1 25.337 -0.130 4.144 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.090 0.358 5.188 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.962 -1.063 5.512 1.00 0.00 H new ATOM 0 HA2 GLY A 1 22.814 -0.578 3.600 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.094 -1.664 3.098 1.00 0.00 H new ATOM 8 N PRO A 2 21.684 -2.571 4.777 1.00 0.00 N ATOM 9 CA PRO A 2 21.051 -3.615 5.575 1.00 0.00 C ATOM 10 C PRO A 2 21.413 -5.002 5.032 1.00 0.00 C ATOM 11 O PRO A 2 21.812 -5.129 3.867 1.00 0.00 O ATOM 12 CB PRO A 2 19.549 -3.333 5.473 1.00 0.00 C ATOM 13 CG PRO A 2 19.414 -2.713 4.082 1.00 0.00 C ATOM 14 CD PRO A 2 20.696 -1.885 3.955 1.00 0.00 C ATOM 0 HA PRO A 2 21.384 -3.610 6.613 1.00 0.00 H new ATOM 0 HB2 PRO A 2 18.959 -4.245 5.568 1.00 0.00 H new ATOM 0 HB3 PRO A 2 19.211 -2.652 6.254 1.00 0.00 H new ATOM 0 HG2 PRO A 2 19.345 -3.474 3.305 1.00 0.00 H new ATOM 0 HG3 PRO A 2 18.522 -2.092 4.000 1.00 0.00 H new ATOM 0 HD2 PRO A 2 21.023 -1.824 2.917 1.00 0.00 H new ATOM 0 HD3 PRO A 2 20.539 -0.863 4.300 1.00 0.00 H new ATOM 22 N SER A 3 21.205 -6.046 5.837 1.00 0.00 N ATOM 23 CA SER A 3 21.486 -7.421 5.460 1.00 0.00 C ATOM 24 C SER A 3 20.171 -8.058 5.025 1.00 0.00 C ATOM 25 O SER A 3 19.999 -8.331 3.836 1.00 0.00 O ATOM 26 CB SER A 3 22.193 -8.137 6.623 1.00 0.00 C ATOM 27 OG SER A 3 22.157 -9.545 6.495 1.00 0.00 O ATOM 0 H SER A 3 20.831 -5.952 6.781 1.00 0.00 H new ATOM 0 HA SER A 3 22.174 -7.493 4.617 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.231 -7.806 6.672 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.722 -7.849 7.563 1.00 0.00 H new ATOM 0 HG SER A 3 22.620 -9.955 7.256 1.00 0.00 H new ATOM 33 N GLN A 4 19.204 -8.154 5.936 1.00 0.00 N ATOM 34 CA GLN A 4 17.899 -8.751 5.691 1.00 0.00 C ATOM 35 C GLN A 4 16.847 -7.970 6.490 1.00 0.00 C ATOM 36 O GLN A 4 16.530 -8.352 7.619 1.00 0.00 O ATOM 37 CB GLN A 4 17.991 -10.229 6.102 1.00 0.00 C ATOM 38 CG GLN A 4 16.702 -11.020 5.865 1.00 0.00 C ATOM 39 CD GLN A 4 16.858 -12.427 6.419 1.00 0.00 C ATOM 40 OE1 GLN A 4 16.712 -12.643 7.620 1.00 0.00 O ATOM 41 NE2 GLN A 4 17.356 -13.360 5.627 1.00 0.00 N ATOM 0 H GLN A 4 19.313 -7.808 6.889 1.00 0.00 H new ATOM 0 HA GLN A 4 17.602 -8.704 4.643 1.00 0.00 H new ATOM 0 HB2 GLN A 4 18.802 -10.700 5.547 1.00 0.00 H new ATOM 0 HB3 GLN A 4 18.252 -10.287 7.159 1.00 0.00 H new ATOM 0 HG2 GLN A 4 15.862 -10.519 6.347 1.00 0.00 H new ATOM 0 HG3 GLN A 4 16.479 -11.061 4.799 1.00 0.00 H new ATOM 0 HE21 GLN A 4 17.474 -13.174 4.631 1.00 0.00 H new ATOM 0 HE22 GLN A 4 17.622 -14.267 6.011 1.00 0.00 H new ATOM 50 N PRO A 5 16.374 -6.818 5.985 1.00 0.00 N ATOM 51 CA PRO A 5 15.378 -6.030 6.685 1.00 0.00 C ATOM 52 C PRO A 5 14.059 -6.801 6.739 1.00 0.00 C ATOM 53 O PRO A 5 13.703 -7.544 5.816 1.00 0.00 O ATOM 54 CB PRO A 5 15.280 -4.707 5.927 1.00 0.00 C ATOM 55 CG PRO A 5 15.716 -5.069 4.510 1.00 0.00 C ATOM 56 CD PRO A 5 16.664 -6.254 4.680 1.00 0.00 C ATOM 0 HA PRO A 5 15.642 -5.830 7.723 1.00 0.00 H new ATOM 0 HB2 PRO A 5 14.265 -4.310 5.945 1.00 0.00 H new ATOM 0 HB3 PRO A 5 15.928 -3.947 6.363 1.00 0.00 H new ATOM 0 HG2 PRO A 5 14.860 -5.334 3.889 1.00 0.00 H new ATOM 0 HG3 PRO A 5 16.215 -4.231 4.024 1.00 0.00 H new ATOM 0 HD2 PRO A 5 16.510 -6.993 3.893 1.00 0.00 H new ATOM 0 HD3 PRO A 5 17.704 -5.933 4.616 1.00 0.00 H new ATOM 64 N THR A 6 13.318 -6.593 7.819 1.00 0.00 N ATOM 65 CA THR A 6 12.039 -7.230 8.075 1.00 0.00 C ATOM 66 C THR A 6 10.947 -6.493 7.305 1.00 0.00 C ATOM 67 O THR A 6 10.256 -5.619 7.827 1.00 0.00 O ATOM 68 CB THR A 6 11.826 -7.257 9.586 1.00 0.00 C ATOM 69 OG1 THR A 6 12.947 -7.908 10.170 1.00 0.00 O ATOM 70 CG2 THR A 6 10.551 -8.001 9.979 1.00 0.00 C ATOM 0 H THR A 6 13.602 -5.956 8.563 1.00 0.00 H new ATOM 0 HA THR A 6 12.009 -8.261 7.723 1.00 0.00 H new ATOM 0 HB THR A 6 11.723 -6.232 9.942 1.00 0.00 H new ATOM 0 HG1 THR A 6 12.837 -7.938 11.143 1.00 0.00 H new ATOM 0 HG21 THR A 6 10.444 -7.992 11.064 1.00 0.00 H new ATOM 0 HG22 THR A 6 9.689 -7.511 9.526 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.608 -9.031 9.628 1.00 0.00 H new ATOM 78 N TYR A 7 10.783 -6.872 6.044 1.00 0.00 N ATOM 79 CA TYR A 7 9.800 -6.310 5.127 1.00 0.00 C ATOM 80 C TYR A 7 8.857 -7.410 4.615 1.00 0.00 C ATOM 81 O TYR A 7 8.963 -7.816 3.457 1.00 0.00 O ATOM 82 CB TYR A 7 10.511 -5.503 4.027 1.00 0.00 C ATOM 83 CG TYR A 7 10.857 -4.064 4.374 1.00 0.00 C ATOM 84 CD1 TYR A 7 9.950 -3.250 5.085 1.00 0.00 C ATOM 85 CD2 TYR A 7 12.043 -3.494 3.878 1.00 0.00 C ATOM 86 CE1 TYR A 7 10.218 -1.895 5.310 1.00 0.00 C ATOM 87 CE2 TYR A 7 12.320 -2.134 4.091 1.00 0.00 C ATOM 88 CZ TYR A 7 11.404 -1.324 4.801 1.00 0.00 C ATOM 89 OH TYR A 7 11.689 -0.008 4.997 1.00 0.00 O ATOM 0 H TYR A 7 11.350 -7.604 5.617 1.00 0.00 H new ATOM 0 HA TYR A 7 9.155 -5.599 5.643 1.00 0.00 H new ATOM 0 HB2 TYR A 7 11.431 -6.023 3.760 1.00 0.00 H new ATOM 0 HB3 TYR A 7 9.878 -5.500 3.140 1.00 0.00 H new ATOM 0 HD1 TYR A 7 9.034 -3.680 5.462 1.00 0.00 H new ATOM 0 HD2 TYR A 7 12.745 -4.106 3.330 1.00 0.00 H new ATOM 0 HE1 TYR A 7 9.521 -1.289 5.870 1.00 0.00 H new ATOM 0 HE2 TYR A 7 13.236 -1.705 3.711 1.00 0.00 H new ATOM 0 HH TYR A 7 12.634 0.156 4.795 1.00 0.00 H new ATOM 99 N PRO A 8 7.857 -7.814 5.421 1.00 0.00 N ATOM 100 CA PRO A 8 6.893 -8.862 5.073 1.00 0.00 C ATOM 101 C PRO A 8 5.903 -8.506 3.960 1.00 0.00 C ATOM 102 O PRO A 8 5.315 -9.408 3.358 1.00 0.00 O ATOM 103 CB PRO A 8 6.132 -9.145 6.374 1.00 0.00 C ATOM 104 CG PRO A 8 6.224 -7.818 7.129 1.00 0.00 C ATOM 105 CD PRO A 8 7.639 -7.382 6.798 1.00 0.00 C ATOM 0 HA PRO A 8 7.437 -9.717 4.671 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.097 -9.428 6.182 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.586 -9.961 6.937 1.00 0.00 H new ATOM 0 HG2 PRO A 8 5.481 -7.098 6.785 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.073 -7.944 8.201 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.752 -6.302 6.895 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.361 -7.840 7.474 1.00 0.00 H new ATOM 113 N GLY A 9 5.750 -7.229 3.621 1.00 0.00 N ATOM 114 CA GLY A 9 4.831 -6.748 2.600 1.00 0.00 C ATOM 115 C GLY A 9 3.822 -5.822 3.265 1.00 0.00 C ATOM 116 O GLY A 9 4.086 -5.302 4.349 1.00 0.00 O ATOM 0 H GLY A 9 6.280 -6.479 4.065 1.00 0.00 H new ATOM 0 HA2 GLY A 9 5.375 -6.218 1.818 1.00 0.00 H new ATOM 0 HA3 GLY A 9 4.322 -7.585 2.123 1.00 0.00 H new TER 120 GLY A 9 ATOM 121 N PRO C 11 -8.018 -6.732 8.417 1.00 0.00 N ATOM 122 CA PRO C 11 -9.315 -6.149 8.103 1.00 0.00 C ATOM 123 C PRO C 11 -9.134 -4.752 7.510 1.00 0.00 C ATOM 124 O PRO C 11 -8.206 -4.045 7.907 1.00 0.00 O ATOM 125 CB PRO C 11 -10.066 -6.111 9.437 1.00 0.00 C ATOM 126 CG PRO C 11 -8.951 -5.976 10.466 1.00 0.00 C ATOM 127 CD PRO C 11 -7.828 -6.810 9.859 1.00 0.00 C ATOM 0 HA PRO C 11 -9.867 -6.723 7.359 1.00 0.00 H new ATOM 0 HB2 PRO C 11 -10.760 -5.272 9.484 1.00 0.00 H new ATOM 0 HB3 PRO C 11 -10.651 -7.017 9.595 1.00 0.00 H new ATOM 0 HG2 PRO C 11 -8.653 -4.937 10.605 1.00 0.00 H new ATOM 0 HG3 PRO C 11 -9.254 -6.355 11.442 1.00 0.00 H new ATOM 0 HD2 PRO C 11 -6.851 -6.421 10.147 1.00 0.00 H new ATOM 0 HD3 PRO C 11 -7.875 -7.842 10.205 1.00 0.00 H new ATOM 135 N VAL C 12 -10.089 -4.283 6.698 1.00 0.00 N ATOM 136 CA VAL C 12 -9.983 -2.955 6.089 1.00 0.00 C ATOM 137 C VAL C 12 -9.932 -1.867 7.168 1.00 0.00 C ATOM 138 O VAL C 12 -9.121 -0.951 7.069 1.00 0.00 O ATOM 139 CB VAL C 12 -11.127 -2.663 5.096 1.00 0.00 C ATOM 140 CG1 VAL C 12 -10.688 -1.550 4.135 1.00 0.00 C ATOM 141 CG2 VAL C 12 -11.554 -3.867 4.248 1.00 0.00 C ATOM 0 H VAL C 12 -10.934 -4.798 6.450 1.00 0.00 H new ATOM 0 HA VAL C 12 -9.052 -2.946 5.522 1.00 0.00 H new ATOM 0 HB VAL C 12 -11.983 -2.378 5.708 1.00 0.00 H new ATOM 0 HG11 VAL C 12 -11.493 -1.339 3.431 1.00 0.00 H new ATOM 0 HG12 VAL C 12 -10.458 -0.649 4.703 1.00 0.00 H new ATOM 0 HG13 VAL C 12 -9.801 -1.870 3.588 1.00 0.00 H new ATOM 0 HG21 VAL C 12 -12.362 -3.572 3.579 1.00 0.00 H new ATOM 0 HG22 VAL C 12 -10.706 -4.217 3.660 1.00 0.00 H new ATOM 0 HG23 VAL C 12 -11.898 -4.669 4.902 1.00 0.00 H new ATOM 151 N GLU C 13 -10.702 -2.035 8.248 1.00 0.00 N ATOM 152 CA GLU C 13 -10.785 -1.104 9.369 1.00 0.00 C ATOM 153 C GLU C 13 -9.408 -0.858 10.007 1.00 0.00 C ATOM 154 O GLU C 13 -9.243 0.118 10.739 1.00 0.00 O ATOM 155 CB GLU C 13 -11.771 -1.690 10.390 1.00 0.00 C ATOM 156 CG GLU C 13 -12.288 -0.672 11.422 1.00 0.00 C ATOM 157 CD GLU C 13 -12.796 -1.343 12.692 1.00 0.00 C ATOM 158 OE1 GLU C 13 -12.026 -2.134 13.280 1.00 0.00 O ATOM 159 OE2 GLU C 13 -13.861 -0.941 13.207 1.00 0.00 O ATOM 0 H GLU C 13 -11.303 -2.851 8.366 1.00 0.00 H new ATOM 0 HA GLU C 13 -11.135 -0.134 9.017 1.00 0.00 H new ATOM 0 HB2 GLU C 13 -12.622 -2.113 9.856 1.00 0.00 H new ATOM 0 HB3 GLU C 13 -11.286 -2.511 10.918 1.00 0.00 H new ATOM 0 HG2 GLU C 13 -11.487 0.023 11.676 1.00 0.00 H new ATOM 0 HG3 GLU C 13 -13.091 -0.084 10.978 1.00 0.00 H new ATOM 166 N ASP C 14 -8.459 -1.786 9.861 1.00 0.00 N ATOM 167 CA ASP C 14 -7.106 -1.653 10.399 1.00 0.00 C ATOM 168 C ASP C 14 -6.141 -1.323 9.266 1.00 0.00 C ATOM 169 O ASP C 14 -5.263 -0.488 9.456 1.00 0.00 O ATOM 170 CB ASP C 14 -6.669 -2.917 11.140 1.00 0.00 C ATOM 171 CG ASP C 14 -5.336 -2.688 11.856 1.00 0.00 C ATOM 172 OD1 ASP C 14 -5.271 -1.758 12.692 1.00 0.00 O ATOM 173 OD2 ASP C 14 -4.468 -3.592 11.787 1.00 0.00 O ATOM 0 H ASP C 14 -8.612 -2.661 9.359 1.00 0.00 H new ATOM 0 HA ASP C 14 -7.098 -0.840 11.125 1.00 0.00 H new ATOM 0 HB2 ASP C 14 -7.432 -3.203 11.864 1.00 0.00 H new ATOM 0 HB3 ASP C 14 -6.572 -3.743 10.435 1.00 0.00 H new ATOM 178 N LEU C 15 -6.367 -1.865 8.058 1.00 0.00 N ATOM 179 CA LEU C 15 -5.535 -1.608 6.884 1.00 0.00 C ATOM 180 C LEU C 15 -5.529 -0.104 6.600 1.00 0.00 C ATOM 181 O LEU C 15 -4.476 0.431 6.284 1.00 0.00 O ATOM 182 CB LEU C 15 -5.993 -2.420 5.657 1.00 0.00 C ATOM 183 CG LEU C 15 -4.823 -2.662 4.671 1.00 0.00 C ATOM 184 CD1 LEU C 15 -3.941 -3.825 5.150 1.00 0.00 C ATOM 185 CD2 LEU C 15 -5.336 -3.023 3.272 1.00 0.00 C ATOM 0 H LEU C 15 -7.143 -2.501 7.873 1.00 0.00 H new ATOM 0 HA LEU C 15 -4.518 -1.938 7.095 1.00 0.00 H new ATOM 0 HB2 LEU C 15 -6.400 -3.377 5.983 1.00 0.00 H new ATOM 0 HB3 LEU C 15 -6.797 -1.889 5.147 1.00 0.00 H new ATOM 0 HG LEU C 15 -4.251 -1.735 4.631 1.00 0.00 H new ATOM 0 HD11 LEU C 15 -3.125 -3.978 4.443 1.00 0.00 H new ATOM 0 HD12 LEU C 15 -3.531 -3.590 6.132 1.00 0.00 H new ATOM 0 HD13 LEU C 15 -4.540 -4.733 5.215 1.00 0.00 H new ATOM 0 HD21 LEU C 15 -4.490 -3.186 2.605 1.00 0.00 H new ATOM 0 HD22 LEU C 15 -5.935 -3.932 3.327 1.00 0.00 H new ATOM 0 HD23 LEU C 15 -5.949 -2.208 2.888 1.00 0.00 H new ATOM 197 N ILE C 16 -6.642 0.606 6.820 1.00 0.00 N ATOM 198 CA ILE C 16 -6.758 2.054 6.620 1.00 0.00 C ATOM 199 C ILE C 16 -5.721 2.796 7.484 1.00 0.00 C ATOM 200 O ILE C 16 -5.186 3.831 7.078 1.00 0.00 O ATOM 201 CB ILE C 16 -8.191 2.497 7.026 1.00 0.00 C ATOM 202 CG1 ILE C 16 -9.259 2.024 6.019 1.00 0.00 C ATOM 203 CG2 ILE C 16 -8.318 4.021 7.187 1.00 0.00 C ATOM 204 CD1 ILE C 16 -10.657 1.940 6.648 1.00 0.00 C ATOM 0 H ILE C 16 -7.507 0.178 7.150 1.00 0.00 H new ATOM 0 HA ILE C 16 -6.573 2.295 5.573 1.00 0.00 H new ATOM 0 HB ILE C 16 -8.366 2.021 7.991 1.00 0.00 H new ATOM 0 HG12 ILE C 16 -9.285 2.709 5.172 1.00 0.00 H new ATOM 0 HG13 ILE C 16 -8.979 1.045 5.629 1.00 0.00 H new ATOM 0 HG21 ILE C 16 -9.340 4.273 7.471 1.00 0.00 H new ATOM 0 HG22 ILE C 16 -7.631 4.364 7.961 1.00 0.00 H new ATOM 0 HG23 ILE C 16 -8.073 4.508 6.243 1.00 0.00 H new ATOM 0 HD11 ILE C 16 -11.373 1.603 5.899 1.00 0.00 H new ATOM 0 HD12 ILE C 16 -10.641 1.234 7.478 1.00 0.00 H new ATOM 0 HD13 ILE C 16 -10.951 2.924 7.014 1.00 0.00 H new ATOM 216 N ARG C 17 -5.506 2.314 8.711 1.00 0.00 N ATOM 217 CA ARG C 17 -4.597 2.877 9.701 1.00 0.00 C ATOM 218 C ARG C 17 -3.267 2.151 9.792 1.00 0.00 C ATOM 219 O ARG C 17 -2.509 2.412 10.725 1.00 0.00 O ATOM 220 CB ARG C 17 -5.332 2.921 11.051 1.00 0.00 C ATOM 221 CG ARG C 17 -4.948 4.154 11.866 1.00 0.00 C ATOM 222 CD ARG C 17 -5.622 5.399 11.298 1.00 0.00 C ATOM 223 NE ARG C 17 -5.363 6.541 12.176 1.00 0.00 N ATOM 224 CZ ARG C 17 -6.264 7.365 12.710 1.00 0.00 C ATOM 225 NH1 ARG C 17 -7.531 7.335 12.325 1.00 0.00 N ATOM 226 NH2 ARG C 17 -5.887 8.201 13.667 1.00 0.00 N ATOM 0 H ARG C 17 -5.986 1.481 9.053 1.00 0.00 H new ATOM 0 HA ARG C 17 -4.325 3.885 9.389 1.00 0.00 H new ATOM 0 HB2 ARG C 17 -6.408 2.920 10.879 1.00 0.00 H new ATOM 0 HB3 ARG C 17 -5.099 2.022 11.621 1.00 0.00 H new ATOM 0 HG2 ARG C 17 -5.242 4.016 12.906 1.00 0.00 H new ATOM 0 HG3 ARG C 17 -3.866 4.282 11.855 1.00 0.00 H new ATOM 0 HD2 ARG C 17 -5.244 5.604 10.296 1.00 0.00 H new ATOM 0 HD3 ARG C 17 -6.696 5.234 11.206 1.00 0.00 H new ATOM 0 HE ARG C 17 -4.386 6.726 12.404 1.00 0.00 H new ATOM 0 HH11 ARG C 17 -7.831 6.674 11.609 1.00 0.00 H new ATOM 0 HH12 ARG C 17 -8.207 7.973 12.745 1.00 0.00 H new ATOM 0 HH21 ARG C 17 -4.918 8.208 13.986 1.00 0.00 H new ATOM 0 HH22 ARG C 17 -6.566 8.837 14.085 1.00 0.00 H new ATOM 240 N PHE C 18 -2.926 1.390 8.762 1.00 0.00 N ATOM 241 CA PHE C 18 -1.694 0.634 8.627 1.00 0.00 C ATOM 242 C PHE C 18 -1.040 1.097 7.324 1.00 0.00 C ATOM 243 O PHE C 18 0.094 1.556 7.342 1.00 0.00 O ATOM 244 CB PHE C 18 -2.025 -0.859 8.678 1.00 0.00 C ATOM 245 CG PHE C 18 -0.987 -1.764 8.061 1.00 0.00 C ATOM 246 CD1 PHE C 18 0.132 -2.179 8.805 1.00 0.00 C ATOM 247 CD2 PHE C 18 -1.151 -2.193 6.731 1.00 0.00 C ATOM 248 CE1 PHE C 18 1.084 -3.028 8.216 1.00 0.00 C ATOM 249 CE2 PHE C 18 -0.213 -3.060 6.154 1.00 0.00 C ATOM 250 CZ PHE C 18 0.905 -3.471 6.895 1.00 0.00 C ATOM 0 H PHE C 18 -3.538 1.279 7.954 1.00 0.00 H new ATOM 0 HA PHE C 18 -0.983 0.804 9.436 1.00 0.00 H new ATOM 0 HB2 PHE C 18 -2.165 -1.149 9.719 1.00 0.00 H new ATOM 0 HB3 PHE C 18 -2.976 -1.023 8.170 1.00 0.00 H new ATOM 0 HD1 PHE C 18 0.259 -1.847 9.825 1.00 0.00 H new ATOM 0 HD2 PHE C 18 -1.999 -1.854 6.155 1.00 0.00 H new ATOM 0 HE1 PHE C 18 1.952 -3.340 8.778 1.00 0.00 H new ATOM 0 HE2 PHE C 18 -0.351 -3.411 5.142 1.00 0.00 H new ATOM 0 HZ PHE C 18 1.632 -4.132 6.447 1.00 0.00 H new ATOM 260 N TYR C 19 -1.817 1.178 6.237 1.00 0.00 N ATOM 261 CA TYR C 19 -1.425 1.612 4.898 1.00 0.00 C ATOM 262 C TYR C 19 -0.796 3.011 4.915 1.00 0.00 C ATOM 263 O TYR C 19 0.002 3.343 4.038 1.00 0.00 O ATOM 264 CB TYR C 19 -2.669 1.581 3.995 1.00 0.00 C ATOM 265 CG TYR C 19 -2.589 2.401 2.720 1.00 0.00 C ATOM 266 CD1 TYR C 19 -1.981 1.882 1.561 1.00 0.00 C ATOM 267 CD2 TYR C 19 -3.159 3.688 2.698 1.00 0.00 C ATOM 268 CE1 TYR C 19 -1.917 2.663 0.390 1.00 0.00 C ATOM 269 CE2 TYR C 19 -3.100 4.470 1.534 1.00 0.00 C ATOM 270 CZ TYR C 19 -2.464 3.967 0.379 1.00 0.00 C ATOM 271 OH TYR C 19 -2.375 4.745 -0.731 1.00 0.00 O ATOM 0 H TYR C 19 -2.804 0.924 6.277 1.00 0.00 H new ATOM 0 HA TYR C 19 -0.664 0.934 4.510 1.00 0.00 H new ATOM 0 HB2 TYR C 19 -2.871 0.545 3.724 1.00 0.00 H new ATOM 0 HB3 TYR C 19 -3.523 1.931 4.575 1.00 0.00 H new ATOM 0 HD1 TYR C 19 -1.564 0.886 1.570 1.00 0.00 H new ATOM 0 HD2 TYR C 19 -3.644 4.076 3.582 1.00 0.00 H new ATOM 0 HE1 TYR C 19 -1.450 2.266 -0.499 1.00 0.00 H new ATOM 0 HE2 TYR C 19 -3.541 5.456 1.522 1.00 0.00 H new ATOM 0 HH TYR C 19 -2.805 5.609 -0.560 1.00 0.00 H new ATOM 281 N ASN C 20 -1.220 3.877 5.840 1.00 0.00 N ATOM 282 CA ASN C 20 -0.670 5.223 5.938 1.00 0.00 C ATOM 283 C ASN C 20 0.792 5.099 6.348 1.00 0.00 C ATOM 284 O ASN C 20 1.666 5.472 5.573 1.00 0.00 O ATOM 285 CB ASN C 20 -1.503 6.095 6.895 1.00 0.00 C ATOM 286 CG ASN C 20 -1.625 7.505 6.334 1.00 0.00 C ATOM 287 OD1 ASN C 20 -0.633 8.216 6.182 1.00 0.00 O ATOM 288 ND2 ASN C 20 -2.813 7.888 5.898 1.00 0.00 N ATOM 0 H ASN C 20 -1.942 3.666 6.529 1.00 0.00 H new ATOM 0 HA ASN C 20 -0.718 5.735 4.977 1.00 0.00 H new ATOM 0 HB2 ASN C 20 -2.493 5.660 7.029 1.00 0.00 H new ATOM 0 HB3 ASN C 20 -1.032 6.124 7.878 1.00 0.00 H new ATOM 0 HD21 ASN C 20 -2.918 8.786 5.427 1.00 0.00 H new ATOM 0 HD22 ASN C 20 -3.625 7.285 6.033 1.00 0.00 H new ATOM 295 N ASP C 21 1.071 4.456 7.485 1.00 0.00 N ATOM 296 CA ASP C 21 2.454 4.268 7.945 1.00 0.00 C ATOM 297 C ASP C 21 3.241 3.324 7.019 1.00 0.00 C ATOM 298 O ASP C 21 4.460 3.461 6.886 1.00 0.00 O ATOM 299 CB ASP C 21 2.457 3.746 9.381 1.00 0.00 C ATOM 300 CG ASP C 21 3.867 3.529 9.920 1.00 0.00 C ATOM 301 OD1 ASP C 21 4.295 2.353 9.899 1.00 0.00 O ATOM 302 OD2 ASP C 21 4.209 4.285 10.852 1.00 0.00 O ATOM 0 H ASP C 21 0.364 4.058 8.103 1.00 0.00 H new ATOM 0 HA ASP C 21 2.954 5.236 7.916 1.00 0.00 H new ATOM 0 HB2 ASP C 21 1.931 4.453 10.022 1.00 0.00 H new ATOM 0 HB3 ASP C 21 1.906 2.806 9.424 1.00 0.00 H new ATOM 307 N LEU C 22 2.559 2.434 6.283 1.00 0.00 N ATOM 308 CA LEU C 22 3.130 1.473 5.337 1.00 0.00 C ATOM 309 C LEU C 22 3.903 2.184 4.226 1.00 0.00 C ATOM 310 O LEU C 22 4.784 1.585 3.618 1.00 0.00 O ATOM 311 CB LEU C 22 2.013 0.598 4.755 1.00 0.00 C ATOM 312 CG LEU C 22 2.490 -0.504 3.796 1.00 0.00 C ATOM 313 CD1 LEU C 22 3.366 -1.559 4.484 1.00 0.00 C ATOM 314 CD2 LEU C 22 1.276 -1.176 3.150 1.00 0.00 C ATOM 0 H LEU C 22 1.543 2.364 6.337 1.00 0.00 H new ATOM 0 HA LEU C 22 3.838 0.837 5.869 1.00 0.00 H new ATOM 0 HB2 LEU C 22 1.469 0.134 5.577 1.00 0.00 H new ATOM 0 HB3 LEU C 22 1.307 1.239 4.227 1.00 0.00 H new ATOM 0 HG LEU C 22 3.111 -0.027 3.038 1.00 0.00 H new ATOM 0 HD11 LEU C 22 3.671 -2.310 3.755 1.00 0.00 H new ATOM 0 HD12 LEU C 22 4.251 -1.080 4.904 1.00 0.00 H new ATOM 0 HD13 LEU C 22 2.799 -2.038 5.283 1.00 0.00 H new ATOM 0 HD21 LEU C 22 1.612 -1.958 2.469 1.00 0.00 H new ATOM 0 HD22 LEU C 22 0.648 -1.615 3.925 1.00 0.00 H new ATOM 0 HD23 LEU C 22 0.702 -0.434 2.595 1.00 0.00 H new ATOM 326 N GLN C 23 3.657 3.480 4.015 1.00 0.00 N ATOM 327 CA GLN C 23 4.329 4.299 3.016 1.00 0.00 C ATOM 328 C GLN C 23 5.861 4.196 3.174 1.00 0.00 C ATOM 329 O GLN C 23 6.607 4.266 2.192 1.00 0.00 O ATOM 330 CB GLN C 23 3.779 5.734 3.157 1.00 0.00 C ATOM 331 CG GLN C 23 4.331 6.491 4.383 1.00 0.00 C ATOM 332 CD GLN C 23 3.503 7.698 4.826 1.00 0.00 C ATOM 333 OE1 GLN C 23 3.608 8.118 5.976 1.00 0.00 O ATOM 334 NE2 GLN C 23 2.807 8.385 3.929 1.00 0.00 N ATOM 0 H GLN C 23 2.963 3.999 4.553 1.00 0.00 H new ATOM 0 HA GLN C 23 4.128 3.953 2.002 1.00 0.00 H new ATOM 0 HB2 GLN C 23 4.020 6.296 2.255 1.00 0.00 H new ATOM 0 HB3 GLN C 23 2.692 5.692 3.226 1.00 0.00 H new ATOM 0 HG2 GLN C 23 4.405 5.794 5.218 1.00 0.00 H new ATOM 0 HG3 GLN C 23 5.343 6.827 4.158 1.00 0.00 H new ATOM 0 HE21 GLN C 23 2.720 8.036 2.975 1.00 0.00 H new ATOM 0 HE22 GLN C 23 2.359 9.262 4.194 1.00 0.00 H new ATOM 343 N GLN C 24 6.330 3.977 4.411 1.00 0.00 N ATOM 344 CA GLN C 24 7.729 3.832 4.802 1.00 0.00 C ATOM 345 C GLN C 24 8.413 2.637 4.119 1.00 0.00 C ATOM 346 O GLN C 24 9.614 2.710 3.847 1.00 0.00 O ATOM 347 CB GLN C 24 7.825 3.747 6.336 1.00 0.00 C ATOM 348 CG GLN C 24 7.444 5.106 6.947 1.00 0.00 C ATOM 349 CD GLN C 24 7.377 5.134 8.468 1.00 0.00 C ATOM 350 OE1 GLN C 24 6.474 5.749 9.024 1.00 0.00 O ATOM 351 NE2 GLN C 24 8.415 4.718 9.173 1.00 0.00 N ATOM 0 H GLN C 24 5.700 3.892 5.209 1.00 0.00 H new ATOM 0 HA GLN C 24 8.271 4.714 4.460 1.00 0.00 H new ATOM 0 HB2 GLN C 24 7.161 2.968 6.711 1.00 0.00 H new ATOM 0 HB3 GLN C 24 8.837 3.473 6.634 1.00 0.00 H new ATOM 0 HG2 GLN C 24 8.168 5.851 6.617 1.00 0.00 H new ATOM 0 HG3 GLN C 24 6.474 5.406 6.550 1.00 0.00 H new ATOM 0 HE21 GLN C 24 9.170 4.206 8.716 1.00 0.00 H new ATOM 0 HE22 GLN C 24 8.461 4.909 10.174 1.00 0.00 H new ATOM 360 N TYR C 25 7.646 1.623 3.706 1.00 0.00 N ATOM 361 CA TYR C 25 8.110 0.414 3.035 1.00 0.00 C ATOM 362 C TYR C 25 8.782 0.773 1.712 1.00 0.00 C ATOM 363 O TYR C 25 9.726 0.108 1.291 1.00 0.00 O ATOM 364 CB TYR C 25 6.901 -0.520 2.825 1.00 0.00 C ATOM 365 CG TYR C 25 7.202 -1.949 2.411 1.00 0.00 C ATOM 366 CD1 TYR C 25 7.529 -2.266 1.078 1.00 0.00 C ATOM 367 CD2 TYR C 25 7.099 -2.980 3.364 1.00 0.00 C ATOM 368 CE1 TYR C 25 7.809 -3.597 0.716 1.00 0.00 C ATOM 369 CE2 TYR C 25 7.381 -4.310 3.008 1.00 0.00 C ATOM 370 CZ TYR C 25 7.759 -4.625 1.683 1.00 0.00 C ATOM 371 OH TYR C 25 8.085 -5.899 1.318 1.00 0.00 O ATOM 0 H TYR C 25 6.635 1.628 3.839 1.00 0.00 H new ATOM 0 HA TYR C 25 8.853 -0.101 3.644 1.00 0.00 H new ATOM 0 HB2 TYR C 25 6.329 -0.549 3.752 1.00 0.00 H new ATOM 0 HB3 TYR C 25 6.256 -0.076 2.067 1.00 0.00 H new ATOM 0 HD1 TYR C 25 7.565 -1.486 0.332 1.00 0.00 H new ATOM 0 HD2 TYR C 25 6.801 -2.747 4.376 1.00 0.00 H new ATOM 0 HE1 TYR C 25 8.063 -3.833 -0.307 1.00 0.00 H new ATOM 0 HE2 TYR C 25 7.309 -5.093 3.748 1.00 0.00 H new ATOM 0 HH TYR C 25 8.253 -6.436 2.120 1.00 0.00 H new ATOM 381 N LEU C 26 8.308 1.827 1.044 1.00 0.00 N ATOM 382 CA LEU C 26 8.855 2.300 -0.222 1.00 0.00 C ATOM 383 C LEU C 26 9.739 3.522 0.025 1.00 0.00 C ATOM 384 O LEU C 26 10.795 3.665 -0.602 1.00 0.00 O ATOM 385 CB LEU C 26 7.725 2.639 -1.209 1.00 0.00 C ATOM 386 CG LEU C 26 6.872 1.426 -1.641 1.00 0.00 C ATOM 387 CD1 LEU C 26 5.605 1.285 -0.788 1.00 0.00 C ATOM 388 CD2 LEU C 26 6.450 1.563 -3.106 1.00 0.00 C ATOM 0 H LEU C 26 7.520 2.383 1.376 1.00 0.00 H new ATOM 0 HA LEU C 26 9.460 1.508 -0.664 1.00 0.00 H new ATOM 0 HB2 LEU C 26 7.072 3.384 -0.754 1.00 0.00 H new ATOM 0 HB3 LEU C 26 8.160 3.097 -2.097 1.00 0.00 H new ATOM 0 HG LEU C 26 7.493 0.541 -1.504 1.00 0.00 H new ATOM 0 HD11 LEU C 26 5.034 0.420 -1.125 1.00 0.00 H new ATOM 0 HD12 LEU C 26 5.883 1.151 0.257 1.00 0.00 H new ATOM 0 HD13 LEU C 26 4.996 2.183 -0.889 1.00 0.00 H new ATOM 0 HD21 LEU C 26 5.850 0.700 -3.394 1.00 0.00 H new ATOM 0 HD22 LEU C 26 5.862 2.472 -3.232 1.00 0.00 H new ATOM 0 HD23 LEU C 26 7.337 1.615 -3.737 1.00 0.00 H new ATOM 400 N ASN C 27 9.383 4.337 1.024 1.00 0.00 N ATOM 401 CA ASN C 27 10.089 5.555 1.403 1.00 0.00 C ATOM 402 C ASN C 27 11.560 5.313 1.709 1.00 0.00 C ATOM 403 O ASN C 27 12.426 5.965 1.131 1.00 0.00 O ATOM 404 CB ASN C 27 9.449 6.202 2.637 1.00 0.00 C ATOM 405 CG ASN C 27 9.714 7.692 2.659 1.00 0.00 C ATOM 406 OD1 ASN C 27 10.841 8.128 2.881 1.00 0.00 O ATOM 407 ND2 ASN C 27 8.686 8.481 2.409 1.00 0.00 N ATOM 0 H ASN C 27 8.567 4.156 1.608 1.00 0.00 H new ATOM 0 HA ASN C 27 10.014 6.217 0.540 1.00 0.00 H new ATOM 0 HB2 ASN C 27 8.374 6.019 2.634 1.00 0.00 H new ATOM 0 HB3 ASN C 27 9.848 5.743 3.542 1.00 0.00 H new ATOM 0 HD21 ASN C 27 8.811 9.493 2.395 1.00 0.00 H new ATOM 0 HD22 ASN C 27 7.766 8.079 2.230 1.00 0.00 H new ATOM 414 N VAL C 28 11.840 4.401 2.639 1.00 0.00 N ATOM 415 CA VAL C 28 13.190 4.069 3.064 1.00 0.00 C ATOM 416 C VAL C 28 13.946 3.380 1.929 1.00 0.00 C ATOM 417 O VAL C 28 15.013 3.847 1.525 1.00 0.00 O ATOM 418 CB VAL C 28 13.119 3.213 4.348 1.00 0.00 C ATOM 419 CG1 VAL C 28 14.520 2.858 4.869 1.00 0.00 C ATOM 420 CG2 VAL C 28 12.370 3.954 5.469 1.00 0.00 C ATOM 0 H VAL C 28 11.120 3.866 3.124 1.00 0.00 H new ATOM 0 HA VAL C 28 13.749 4.974 3.302 1.00 0.00 H new ATOM 0 HB VAL C 28 12.585 2.301 4.080 1.00 0.00 H new ATOM 0 HG11 VAL C 28 14.430 2.256 5.773 1.00 0.00 H new ATOM 0 HG12 VAL C 28 15.059 2.293 4.108 1.00 0.00 H new ATOM 0 HG13 VAL C 28 15.067 3.773 5.096 1.00 0.00 H new ATOM 0 HG21 VAL C 28 12.336 3.327 6.360 1.00 0.00 H new ATOM 0 HG22 VAL C 28 12.889 4.885 5.700 1.00 0.00 H new ATOM 0 HG23 VAL C 28 11.354 4.176 5.143 1.00 0.00 H new ATOM 430 N VAL C 29 13.353 2.346 1.328 1.00 0.00 N ATOM 431 CA VAL C 29 13.946 1.566 0.247 1.00 0.00 C ATOM 432 C VAL C 29 14.433 2.436 -0.918 1.00 0.00 C ATOM 433 O VAL C 29 15.543 2.196 -1.404 1.00 0.00 O ATOM 434 CB VAL C 29 12.946 0.464 -0.178 1.00 0.00 C ATOM 435 CG1 VAL C 29 13.425 -0.386 -1.365 1.00 0.00 C ATOM 436 CG2 VAL C 29 12.718 -0.492 1.005 1.00 0.00 C ATOM 0 H VAL C 29 12.422 2.022 1.589 1.00 0.00 H new ATOM 0 HA VAL C 29 14.854 1.084 0.610 1.00 0.00 H new ATOM 0 HB VAL C 29 12.037 0.983 -0.482 1.00 0.00 H new ATOM 0 HG11 VAL C 29 12.671 -1.136 -1.603 1.00 0.00 H new ATOM 0 HG12 VAL C 29 13.585 0.256 -2.231 1.00 0.00 H new ATOM 0 HG13 VAL C 29 14.360 -0.882 -1.104 1.00 0.00 H new ATOM 0 HG21 VAL C 29 12.014 -1.271 0.713 1.00 0.00 H new ATOM 0 HG22 VAL C 29 13.665 -0.948 1.292 1.00 0.00 H new ATOM 0 HG23 VAL C 29 12.312 0.065 1.850 1.00 0.00 H new ATOM 446 N THR C 30 13.759 3.544 -1.232 1.00 0.00 N ATOM 447 CA THR C 30 14.140 4.418 -2.341 1.00 0.00 C ATOM 448 C THR C 30 14.519 5.835 -1.915 1.00 0.00 C ATOM 449 O THR C 30 14.700 6.687 -2.784 1.00 0.00 O ATOM 450 CB THR C 30 12.981 4.443 -3.350 1.00 0.00 C ATOM 451 OG1 THR C 30 11.819 4.979 -2.748 1.00 0.00 O ATOM 452 CG2 THR C 30 12.669 3.055 -3.921 1.00 0.00 C ATOM 0 H THR C 30 12.933 3.860 -0.724 1.00 0.00 H new ATOM 0 HA THR C 30 15.045 4.009 -2.790 1.00 0.00 H new ATOM 0 HB THR C 30 13.297 5.077 -4.179 1.00 0.00 H new ATOM 0 HG1 THR C 30 11.516 4.382 -2.033 1.00 0.00 H new ATOM 0 HG21 THR C 30 11.843 3.130 -4.628 1.00 0.00 H new ATOM 0 HG22 THR C 30 13.550 2.665 -4.432 1.00 0.00 H new ATOM 0 HG23 THR C 30 12.392 2.382 -3.110 1.00 0.00 H new ATOM 460 N ARG C 31 14.702 6.112 -0.615 1.00 0.00 N ATOM 461 CA ARG C 31 15.007 7.460 -0.102 1.00 0.00 C ATOM 462 C ARG C 31 13.989 8.453 -0.707 1.00 0.00 C ATOM 463 O ARG C 31 14.343 9.569 -1.080 1.00 0.00 O ATOM 464 CB ARG C 31 16.482 7.844 -0.352 1.00 0.00 C ATOM 465 CG ARG C 31 16.922 9.058 0.496 1.00 0.00 C ATOM 466 CD ARG C 31 18.154 9.756 -0.096 1.00 0.00 C ATOM 467 NE ARG C 31 18.421 11.049 0.569 1.00 0.00 N ATOM 468 CZ ARG C 31 18.074 12.270 0.129 1.00 0.00 C ATOM 469 NH1 ARG C 31 17.364 12.423 -0.980 1.00 0.00 N ATOM 470 NH2 ARG C 31 18.475 13.373 0.746 1.00 0.00 N ATOM 0 H ARG C 31 14.642 5.403 0.116 1.00 0.00 H new ATOM 0 HA ARG C 31 14.899 7.488 0.982 1.00 0.00 H new ATOM 0 HB2 ARG C 31 17.121 6.992 -0.122 1.00 0.00 H new ATOM 0 HB3 ARG C 31 16.622 8.071 -1.409 1.00 0.00 H new ATOM 0 HG2 ARG C 31 16.100 9.770 0.564 1.00 0.00 H new ATOM 0 HG3 ARG C 31 17.144 8.730 1.511 1.00 0.00 H new ATOM 0 HD2 ARG C 31 19.024 9.107 0.006 1.00 0.00 H new ATOM 0 HD3 ARG C 31 18.002 9.920 -1.163 1.00 0.00 H new ATOM 0 HE ARG C 31 18.922 11.010 1.457 1.00 0.00 H new ATOM 0 HH11 ARG C 31 17.072 11.605 -1.515 1.00 0.00 H new ATOM 0 HH12 ARG C 31 17.110 13.358 -1.298 1.00 0.00 H new ATOM 0 HH21 ARG C 31 19.062 13.308 1.577 1.00 0.00 H new ATOM 0 HH22 ARG C 31 18.196 14.287 0.389 1.00 0.00 H new ATOM 484 N HIS C 32 12.740 8.008 -0.875 1.00 0.00 N ATOM 485 CA HIS C 32 11.618 8.741 -1.448 1.00 0.00 C ATOM 486 C HIS C 32 12.018 9.491 -2.732 1.00 0.00 C ATOM 487 O HIS C 32 11.807 10.696 -2.876 1.00 0.00 O ATOM 488 CB HIS C 32 10.969 9.605 -0.366 1.00 0.00 C ATOM 489 CG HIS C 32 9.615 10.147 -0.739 1.00 0.00 C ATOM 490 ND1 HIS C 32 9.369 11.445 -1.108 1.00 0.00 N ATOM 491 CD2 HIS C 32 8.408 9.502 -0.656 1.00 0.00 C ATOM 492 CE1 HIS C 32 8.049 11.594 -1.256 1.00 0.00 C ATOM 493 NE2 HIS C 32 7.413 10.451 -0.938 1.00 0.00 N ATOM 0 H HIS C 32 12.473 7.064 -0.595 1.00 0.00 H new ATOM 0 HA HIS C 32 10.851 8.045 -1.786 1.00 0.00 H new ATOM 0 HB2 HIS C 32 10.873 9.015 0.545 1.00 0.00 H new ATOM 0 HB3 HIS C 32 11.632 10.440 -0.137 1.00 0.00 H new ATOM 0 HD2 HIS C 32 8.252 8.460 -0.418 1.00 0.00 H new ATOM 0 HE1 HIS C 32 7.563 12.501 -1.584 1.00 0.00 H new ATOM 0 HE2 HIS C 32 6.404 10.303 -0.908 1.00 0.00 H new ATOM 501 N ARG C 33 12.659 8.776 -3.665 1.00 0.00 N ATOM 502 CA ARG C 33 13.086 9.330 -4.953 1.00 0.00 C ATOM 503 C ARG C 33 11.894 9.539 -5.898 1.00 0.00 C ATOM 504 O ARG C 33 12.088 10.017 -7.021 1.00 0.00 O ATOM 505 CB ARG C 33 14.144 8.407 -5.592 1.00 0.00 C ATOM 506 CG ARG C 33 15.572 8.778 -5.163 1.00 0.00 C ATOM 507 CD ARG C 33 16.618 8.003 -5.970 1.00 0.00 C ATOM 508 NE ARG C 33 16.506 6.551 -5.776 1.00 0.00 N ATOM 509 CZ ARG C 33 17.048 5.806 -4.810 1.00 0.00 C ATOM 510 NH1 ARG C 33 17.903 6.311 -3.927 1.00 0.00 N ATOM 511 NH2 ARG C 33 16.716 4.527 -4.731 1.00 0.00 N ATOM 0 H ARG C 33 12.897 7.791 -3.545 1.00 0.00 H new ATOM 0 HA ARG C 33 13.531 10.309 -4.777 1.00 0.00 H new ATOM 0 HB2 ARG C 33 13.939 7.374 -5.312 1.00 0.00 H new ATOM 0 HB3 ARG C 33 14.066 8.465 -6.678 1.00 0.00 H new ATOM 0 HG2 ARG C 33 15.727 9.849 -5.297 1.00 0.00 H new ATOM 0 HG3 ARG C 33 15.701 8.568 -4.101 1.00 0.00 H new ATOM 0 HD2 ARG C 33 16.503 8.236 -7.029 1.00 0.00 H new ATOM 0 HD3 ARG C 33 17.616 8.331 -5.678 1.00 0.00 H new ATOM 0 HE ARG C 33 15.945 6.050 -6.465 1.00 0.00 H new ATOM 0 HH11 ARG C 33 18.163 7.296 -3.975 1.00 0.00 H new ATOM 0 HH12 ARG C 33 18.299 5.714 -3.201 1.00 0.00 H new ATOM 0 HH21 ARG C 33 16.058 4.129 -5.401 1.00 0.00 H new ATOM 0 HH22 ARG C 33 17.119 3.940 -4.001 1.00 0.00 H new ATOM 525 N TYR C 34 10.694 9.103 -5.518 1.00 0.00 N ATOM 526 CA TYR C 34 9.460 9.216 -6.273 1.00 0.00 C ATOM 527 C TYR C 34 8.518 10.144 -5.501 1.00 0.00 C ATOM 528 O TYR C 34 8.716 10.435 -4.327 1.00 0.00 O ATOM 529 CB TYR C 34 8.873 7.811 -6.479 1.00 0.00 C ATOM 530 CG TYR C 34 8.354 7.175 -5.202 1.00 0.00 C ATOM 531 CD1 TYR C 34 9.232 6.537 -4.300 1.00 0.00 C ATOM 532 CD2 TYR C 34 6.989 7.289 -4.884 1.00 0.00 C ATOM 533 CE1 TYR C 34 8.747 6.066 -3.066 1.00 0.00 C ATOM 534 CE2 TYR C 34 6.500 6.803 -3.662 1.00 0.00 C ATOM 535 CZ TYR C 34 7.384 6.218 -2.734 1.00 0.00 C ATOM 536 OH TYR C 34 6.941 5.838 -1.508 1.00 0.00 O ATOM 0 H TYR C 34 10.556 8.635 -4.622 1.00 0.00 H new ATOM 0 HA TYR C 34 9.623 9.645 -7.262 1.00 0.00 H new ATOM 0 HB2 TYR C 34 8.060 7.869 -7.203 1.00 0.00 H new ATOM 0 HB3 TYR C 34 9.639 7.166 -6.911 1.00 0.00 H new ATOM 0 HD1 TYR C 34 10.274 6.411 -4.556 1.00 0.00 H new ATOM 0 HD2 TYR C 34 6.312 7.754 -5.585 1.00 0.00 H new ATOM 0 HE1 TYR C 34 9.420 5.587 -2.371 1.00 0.00 H new ATOM 0 HE2 TYR C 34 5.447 6.877 -3.433 1.00 0.00 H new ATOM 0 HH TYR C 34 5.979 6.010 -1.440 1.00 0.00 H new HETATM 546 N NH2 C 35 7.429 10.587 -6.098 1.00 0.00 N TER 549 NH2 C 35 ATOM 550 N GLY B 1 -26.112 -3.571 -4.658 1.00 0.00 N ATOM 551 CA GLY B 1 -24.695 -3.210 -4.514 1.00 0.00 C ATOM 552 C GLY B 1 -23.821 -4.328 -5.052 1.00 0.00 C ATOM 553 O GLY B 1 -24.362 -5.319 -5.554 1.00 0.00 O ATOM 0 H1 GLY B 1 -26.611 -2.818 -5.173 1.00 0.00 H new ATOM 0 H2 GLY B 1 -26.191 -4.463 -5.187 1.00 0.00 H new ATOM 0 H3 GLY B 1 -26.538 -3.688 -3.716 1.00 0.00 H new ATOM 0 HA2 GLY B 1 -24.490 -2.285 -5.052 1.00 0.00 H new ATOM 0 HA3 GLY B 1 -24.462 -3.027 -3.465 1.00 0.00 H new ATOM 557 N PRO B 2 -22.486 -4.207 -4.955 1.00 0.00 N ATOM 558 CA PRO B 2 -21.568 -5.243 -5.412 1.00 0.00 C ATOM 559 C PRO B 2 -21.771 -6.533 -4.596 1.00 0.00 C ATOM 560 O PRO B 2 -22.493 -6.549 -3.591 1.00 0.00 O ATOM 561 CB PRO B 2 -20.162 -4.646 -5.269 1.00 0.00 C ATOM 562 CG PRO B 2 -20.318 -3.519 -4.249 1.00 0.00 C ATOM 563 CD PRO B 2 -21.768 -3.072 -4.398 1.00 0.00 C ATOM 0 HA PRO B 2 -21.739 -5.533 -6.449 1.00 0.00 H new ATOM 0 HB2 PRO B 2 -19.448 -5.394 -4.926 1.00 0.00 H new ATOM 0 HB3 PRO B 2 -19.794 -4.268 -6.223 1.00 0.00 H new ATOM 0 HG2 PRO B 2 -20.111 -3.867 -3.237 1.00 0.00 H new ATOM 0 HG3 PRO B 2 -19.627 -2.701 -4.452 1.00 0.00 H new ATOM 0 HD2 PRO B 2 -22.187 -2.781 -3.435 1.00 0.00 H new ATOM 0 HD3 PRO B 2 -21.843 -2.204 -5.053 1.00 0.00 H new ATOM 571 N SER B 3 -21.178 -7.632 -5.058 1.00 0.00 N ATOM 572 CA SER B 3 -21.262 -8.953 -4.438 1.00 0.00 C ATOM 573 C SER B 3 -19.875 -9.594 -4.346 1.00 0.00 C ATOM 574 O SER B 3 -19.579 -10.294 -3.377 1.00 0.00 O ATOM 575 CB SER B 3 -22.243 -9.796 -5.263 1.00 0.00 C ATOM 576 OG SER B 3 -22.759 -10.891 -4.535 1.00 0.00 O ATOM 0 H SER B 3 -20.606 -7.627 -5.903 1.00 0.00 H new ATOM 0 HA SER B 3 -21.630 -8.880 -3.415 1.00 0.00 H new ATOM 0 HB2 SER B 3 -23.067 -9.166 -5.598 1.00 0.00 H new ATOM 0 HB3 SER B 3 -21.739 -10.163 -6.157 1.00 0.00 H new ATOM 0 HG SER B 3 -23.379 -11.397 -5.101 1.00 0.00 H new ATOM 582 N GLN B 4 -19.001 -9.325 -5.316 1.00 0.00 N ATOM 583 CA GLN B 4 -17.642 -9.827 -5.376 1.00 0.00 C ATOM 584 C GLN B 4 -16.776 -8.652 -5.848 1.00 0.00 C ATOM 585 O GLN B 4 -16.414 -8.603 -7.025 1.00 0.00 O ATOM 586 CB GLN B 4 -17.558 -11.049 -6.310 1.00 0.00 C ATOM 587 CG GLN B 4 -16.176 -11.721 -6.269 1.00 0.00 C ATOM 588 CD GLN B 4 -15.888 -12.493 -7.552 1.00 0.00 C ATOM 589 OE1 GLN B 4 -15.610 -11.899 -8.588 1.00 0.00 O ATOM 590 NE2 GLN B 4 -16.082 -13.803 -7.572 1.00 0.00 N ATOM 0 H GLN B 4 -19.236 -8.728 -6.109 1.00 0.00 H new ATOM 0 HA GLN B 4 -17.289 -10.181 -4.407 1.00 0.00 H new ATOM 0 HB2 GLN B 4 -18.321 -11.774 -6.026 1.00 0.00 H new ATOM 0 HB3 GLN B 4 -17.778 -10.739 -7.331 1.00 0.00 H new ATOM 0 HG2 GLN B 4 -15.407 -10.963 -6.119 1.00 0.00 H new ATOM 0 HG3 GLN B 4 -16.126 -12.399 -5.417 1.00 0.00 H new ATOM 0 HE21 GLN B 4 -16.313 -14.298 -6.710 1.00 0.00 H new ATOM 0 HE22 GLN B 4 -16.000 -14.317 -8.449 1.00 0.00 H new ATOM 599 N PRO B 5 -16.543 -7.629 -5.007 1.00 0.00 N ATOM 600 CA PRO B 5 -15.721 -6.492 -5.372 1.00 0.00 C ATOM 601 C PRO B 5 -14.287 -7.028 -5.428 1.00 0.00 C ATOM 602 O PRO B 5 -13.718 -7.371 -4.387 1.00 0.00 O ATOM 603 CB PRO B 5 -15.970 -5.446 -4.286 1.00 0.00 C ATOM 604 CG PRO B 5 -16.293 -6.274 -3.043 1.00 0.00 C ATOM 605 CD PRO B 5 -16.923 -7.552 -3.605 1.00 0.00 C ATOM 0 HA PRO B 5 -15.935 -6.025 -6.333 1.00 0.00 H new ATOM 0 HB2 PRO B 5 -15.094 -4.816 -4.130 1.00 0.00 H new ATOM 0 HB3 PRO B 5 -16.795 -4.784 -4.550 1.00 0.00 H new ATOM 0 HG2 PRO B 5 -15.396 -6.492 -2.464 1.00 0.00 H new ATOM 0 HG3 PRO B 5 -16.980 -5.748 -2.380 1.00 0.00 H new ATOM 0 HD2 PRO B 5 -16.570 -8.428 -3.061 1.00 0.00 H new ATOM 0 HD3 PRO B 5 -18.008 -7.527 -3.500 1.00 0.00 H new ATOM 613 N THR B 6 -13.785 -7.242 -6.644 1.00 0.00 N ATOM 614 CA THR B 6 -12.462 -7.768 -6.925 1.00 0.00 C ATOM 615 C THR B 6 -11.409 -6.864 -6.288 1.00 0.00 C ATOM 616 O THR B 6 -11.220 -5.726 -6.720 1.00 0.00 O ATOM 617 CB THR B 6 -12.268 -7.949 -8.446 1.00 0.00 C ATOM 618 OG1 THR B 6 -13.366 -8.668 -8.990 1.00 0.00 O ATOM 619 CG2 THR B 6 -10.984 -8.714 -8.775 1.00 0.00 C ATOM 0 H THR B 6 -14.317 -7.043 -7.491 1.00 0.00 H new ATOM 0 HA THR B 6 -12.348 -8.758 -6.483 1.00 0.00 H new ATOM 0 HB THR B 6 -12.201 -6.952 -8.881 1.00 0.00 H new ATOM 0 HG1 THR B 6 -13.239 -8.778 -9.955 1.00 0.00 H new ATOM 0 HG21 THR B 6 -10.889 -8.818 -9.856 1.00 0.00 H new ATOM 0 HG22 THR B 6 -10.125 -8.167 -8.386 1.00 0.00 H new ATOM 0 HG23 THR B 6 -11.022 -9.703 -8.318 1.00 0.00 H new ATOM 627 N TYR B 7 -10.779 -7.370 -5.230 1.00 0.00 N ATOM 628 CA TYR B 7 -9.733 -6.734 -4.451 1.00 0.00 C ATOM 629 C TYR B 7 -8.767 -7.833 -4.002 1.00 0.00 C ATOM 630 O TYR B 7 -8.752 -8.197 -2.824 1.00 0.00 O ATOM 631 CB TYR B 7 -10.344 -5.948 -3.288 1.00 0.00 C ATOM 632 CG TYR B 7 -10.833 -4.591 -3.724 1.00 0.00 C ATOM 633 CD1 TYR B 7 -9.922 -3.661 -4.257 1.00 0.00 C ATOM 634 CD2 TYR B 7 -12.202 -4.293 -3.692 1.00 0.00 C ATOM 635 CE1 TYR B 7 -10.360 -2.421 -4.732 1.00 0.00 C ATOM 636 CE2 TYR B 7 -12.649 -3.057 -4.177 1.00 0.00 C ATOM 637 CZ TYR B 7 -11.734 -2.100 -4.671 1.00 0.00 C ATOM 638 OH TYR B 7 -12.192 -0.886 -5.086 1.00 0.00 O ATOM 0 H TYR B 7 -11.006 -8.299 -4.875 1.00 0.00 H new ATOM 0 HA TYR B 7 -9.177 -6.003 -5.038 1.00 0.00 H new ATOM 0 HB2 TYR B 7 -11.173 -6.514 -2.863 1.00 0.00 H new ATOM 0 HB3 TYR B 7 -9.601 -5.830 -2.499 1.00 0.00 H new ATOM 0 HD1 TYR B 7 -8.871 -3.908 -4.300 1.00 0.00 H new ATOM 0 HD2 TYR B 7 -12.906 -5.010 -3.297 1.00 0.00 H new ATOM 0 HE1 TYR B 7 -9.653 -1.715 -5.142 1.00 0.00 H new ATOM 0 HE2 TYR B 7 -13.705 -2.833 -4.173 1.00 0.00 H new ATOM 0 HH TYR B 7 -13.164 -0.846 -4.970 1.00 0.00 H new ATOM 648 N PRO B 8 -7.949 -8.369 -4.926 1.00 0.00 N ATOM 649 CA PRO B 8 -6.988 -9.431 -4.652 1.00 0.00 C ATOM 650 C PRO B 8 -6.052 -9.097 -3.490 1.00 0.00 C ATOM 651 O PRO B 8 -5.937 -9.891 -2.554 1.00 0.00 O ATOM 652 CB PRO B 8 -6.218 -9.643 -5.964 1.00 0.00 C ATOM 653 CG PRO B 8 -6.465 -8.352 -6.743 1.00 0.00 C ATOM 654 CD PRO B 8 -7.882 -8.005 -6.333 1.00 0.00 C ATOM 0 HA PRO B 8 -7.499 -10.340 -4.335 1.00 0.00 H new ATOM 0 HB2 PRO B 8 -5.155 -9.804 -5.783 1.00 0.00 H new ATOM 0 HB3 PRO B 8 -6.584 -10.514 -6.507 1.00 0.00 H new ATOM 0 HG2 PRO B 8 -5.758 -7.569 -6.470 1.00 0.00 H new ATOM 0 HG3 PRO B 8 -6.376 -8.501 -7.819 1.00 0.00 H new ATOM 0 HD2 PRO B 8 -8.090 -6.945 -6.480 1.00 0.00 H new ATOM 0 HD3 PRO B 8 -8.613 -8.558 -6.922 1.00 0.00 H new ATOM 662 N GLY B 9 -5.475 -7.897 -3.500 1.00 0.00 N ATOM 663 CA GLY B 9 -4.542 -7.388 -2.508 1.00 0.00 C ATOM 664 C GLY B 9 -3.493 -6.548 -3.226 1.00 0.00 C ATOM 665 O GLY B 9 -3.531 -6.446 -4.456 1.00 0.00 O ATOM 0 H GLY B 9 -5.658 -7.221 -4.242 1.00 0.00 H new ATOM 0 HA2 GLY B 9 -5.067 -6.787 -1.766 1.00 0.00 H new ATOM 0 HA3 GLY B 9 -4.069 -8.212 -1.974 1.00 0.00 H new TER 669 GLY B 9 ATOM 670 N PRO D 11 8.132 -7.158 -8.089 1.00 0.00 N ATOM 671 CA PRO D 11 9.406 -6.469 -7.936 1.00 0.00 C ATOM 672 C PRO D 11 9.195 -5.036 -7.437 1.00 0.00 C ATOM 673 O PRO D 11 8.198 -4.392 -7.774 1.00 0.00 O ATOM 674 CB PRO D 11 10.093 -6.539 -9.303 1.00 0.00 C ATOM 675 CG PRO D 11 8.942 -6.766 -10.280 1.00 0.00 C ATOM 676 CD PRO D 11 7.922 -7.554 -9.470 1.00 0.00 C ATOM 0 HA PRO D 11 10.039 -6.937 -7.182 1.00 0.00 H new ATOM 0 HB2 PRO D 11 10.632 -5.618 -9.527 1.00 0.00 H new ATOM 0 HB3 PRO D 11 10.819 -7.351 -9.345 1.00 0.00 H new ATOM 0 HG2 PRO D 11 8.527 -5.822 -10.635 1.00 0.00 H new ATOM 0 HG3 PRO D 11 9.268 -7.321 -11.159 1.00 0.00 H new ATOM 0 HD2 PRO D 11 6.906 -7.328 -9.793 1.00 0.00 H new ATOM 0 HD3 PRO D 11 8.065 -8.627 -9.596 1.00 0.00 H new ATOM 684 N VAL D 12 10.166 -4.530 -6.674 1.00 0.00 N ATOM 685 CA VAL D 12 10.174 -3.199 -6.068 1.00 0.00 C ATOM 686 C VAL D 12 9.868 -2.104 -7.095 1.00 0.00 C ATOM 687 O VAL D 12 9.162 -1.148 -6.781 1.00 0.00 O ATOM 688 CB VAL D 12 11.541 -2.962 -5.373 1.00 0.00 C ATOM 689 CG1 VAL D 12 11.610 -1.615 -4.635 1.00 0.00 C ATOM 690 CG2 VAL D 12 11.894 -4.039 -4.335 1.00 0.00 C ATOM 0 H VAL D 12 11.007 -5.063 -6.452 1.00 0.00 H new ATOM 0 HA VAL D 12 9.382 -3.149 -5.321 1.00 0.00 H new ATOM 0 HB VAL D 12 12.250 -2.988 -6.200 1.00 0.00 H new ATOM 0 HG11 VAL D 12 12.589 -1.505 -4.169 1.00 0.00 H new ATOM 0 HG12 VAL D 12 11.453 -0.803 -5.345 1.00 0.00 H new ATOM 0 HG13 VAL D 12 10.837 -1.581 -3.867 1.00 0.00 H new ATOM 0 HG21 VAL D 12 12.862 -3.811 -3.889 1.00 0.00 H new ATOM 0 HG22 VAL D 12 11.131 -4.058 -3.557 1.00 0.00 H new ATOM 0 HG23 VAL D 12 11.940 -5.013 -4.822 1.00 0.00 H new ATOM 700 N GLU D 13 10.464 -2.179 -8.286 1.00 0.00 N ATOM 701 CA GLU D 13 10.266 -1.185 -9.332 1.00 0.00 C ATOM 702 C GLU D 13 8.802 -1.093 -9.780 1.00 0.00 C ATOM 703 O GLU D 13 8.282 0.018 -9.903 1.00 0.00 O ATOM 704 CB GLU D 13 11.251 -1.477 -10.468 1.00 0.00 C ATOM 705 CG GLU D 13 11.155 -0.440 -11.593 1.00 0.00 C ATOM 706 CD GLU D 13 12.372 -0.514 -12.515 1.00 0.00 C ATOM 707 OE1 GLU D 13 12.505 -1.510 -13.260 1.00 0.00 O ATOM 708 OE2 GLU D 13 13.331 0.265 -12.262 1.00 0.00 O ATOM 0 H GLU D 13 11.098 -2.934 -8.549 1.00 0.00 H new ATOM 0 HA GLU D 13 10.481 -0.189 -8.945 1.00 0.00 H new ATOM 0 HB2 GLU D 13 12.267 -1.490 -10.073 1.00 0.00 H new ATOM 0 HB3 GLU D 13 11.054 -2.470 -10.872 1.00 0.00 H new ATOM 0 HG2 GLU D 13 10.246 -0.609 -12.171 1.00 0.00 H new ATOM 0 HG3 GLU D 13 11.079 0.560 -11.165 1.00 0.00 H new ATOM 715 N ASP D 14 8.141 -2.220 -10.054 1.00 0.00 N ATOM 716 CA ASP D 14 6.738 -2.217 -10.480 1.00 0.00 C ATOM 717 C ASP D 14 5.870 -1.738 -9.310 1.00 0.00 C ATOM 718 O ASP D 14 5.077 -0.803 -9.460 1.00 0.00 O ATOM 719 CB ASP D 14 6.324 -3.616 -10.971 1.00 0.00 C ATOM 720 CG ASP D 14 4.945 -3.636 -11.652 1.00 0.00 C ATOM 721 OD1 ASP D 14 3.985 -3.019 -11.150 1.00 0.00 O ATOM 722 OD2 ASP D 14 4.875 -4.006 -12.844 1.00 0.00 O ATOM 0 H ASP D 14 8.556 -3.150 -9.988 1.00 0.00 H new ATOM 0 HA ASP D 14 6.599 -1.534 -11.318 1.00 0.00 H new ATOM 0 HB2 ASP D 14 7.073 -3.984 -11.672 1.00 0.00 H new ATOM 0 HB3 ASP D 14 6.314 -4.303 -10.125 1.00 0.00 H new ATOM 727 N LEU D 15 6.167 -2.246 -8.101 1.00 0.00 N ATOM 728 CA LEU D 15 5.463 -1.912 -6.866 1.00 0.00 C ATOM 729 C LEU D 15 5.416 -0.398 -6.638 1.00 0.00 C ATOM 730 O LEU D 15 4.432 0.072 -6.093 1.00 0.00 O ATOM 731 CB LEU D 15 6.131 -2.565 -5.639 1.00 0.00 C ATOM 732 CG LEU D 15 5.065 -2.911 -4.576 1.00 0.00 C ATOM 733 CD1 LEU D 15 4.674 -4.380 -4.736 1.00 0.00 C ATOM 734 CD2 LEU D 15 5.539 -2.686 -3.139 1.00 0.00 C ATOM 0 H LEU D 15 6.923 -2.916 -7.960 1.00 0.00 H new ATOM 0 HA LEU D 15 4.450 -2.297 -6.979 1.00 0.00 H new ATOM 0 HB2 LEU D 15 6.661 -3.468 -5.941 1.00 0.00 H new ATOM 0 HB3 LEU D 15 6.872 -1.887 -5.215 1.00 0.00 H new ATOM 0 HG LEU D 15 4.221 -2.242 -4.742 1.00 0.00 H new ATOM 0 HD11 LEU D 15 3.921 -4.639 -3.992 1.00 0.00 H new ATOM 0 HD12 LEU D 15 4.268 -4.542 -5.734 1.00 0.00 H new ATOM 0 HD13 LEU D 15 5.554 -5.008 -4.596 1.00 0.00 H new ATOM 0 HD21 LEU D 15 4.739 -2.949 -2.447 1.00 0.00 H new ATOM 0 HD22 LEU D 15 6.410 -3.310 -2.941 1.00 0.00 H new ATOM 0 HD23 LEU D 15 5.805 -1.638 -3.004 1.00 0.00 H new ATOM 746 N ILE D 16 6.430 0.388 -7.019 1.00 0.00 N ATOM 747 CA ILE D 16 6.414 1.845 -6.822 1.00 0.00 C ATOM 748 C ILE D 16 5.311 2.492 -7.668 1.00 0.00 C ATOM 749 O ILE D 16 4.681 3.458 -7.227 1.00 0.00 O ATOM 750 CB ILE D 16 7.808 2.445 -7.130 1.00 0.00 C ATOM 751 CG1 ILE D 16 8.825 2.012 -6.052 1.00 0.00 C ATOM 752 CG2 ILE D 16 7.806 3.986 -7.200 1.00 0.00 C ATOM 753 CD1 ILE D 16 10.253 1.965 -6.592 1.00 0.00 C ATOM 0 H ILE D 16 7.277 0.038 -7.468 1.00 0.00 H new ATOM 0 HA ILE D 16 6.188 2.059 -5.778 1.00 0.00 H new ATOM 0 HB ILE D 16 8.088 2.063 -8.112 1.00 0.00 H new ATOM 0 HG12 ILE D 16 8.779 2.705 -5.212 1.00 0.00 H new ATOM 0 HG13 ILE D 16 8.550 1.029 -5.670 1.00 0.00 H new ATOM 0 HG21 ILE D 16 8.813 4.342 -7.419 1.00 0.00 H new ATOM 0 HG22 ILE D 16 7.126 4.314 -7.987 1.00 0.00 H new ATOM 0 HG23 ILE D 16 7.477 4.393 -6.244 1.00 0.00 H new ATOM 0 HD11 ILE D 16 10.932 1.656 -5.798 1.00 0.00 H new ATOM 0 HD12 ILE D 16 10.308 1.252 -7.415 1.00 0.00 H new ATOM 0 HD13 ILE D 16 10.540 2.954 -6.950 1.00 0.00 H new ATOM 765 N ARG D 17 5.190 2.096 -8.938 1.00 0.00 N ATOM 766 CA ARG D 17 4.175 2.648 -9.835 1.00 0.00 C ATOM 767 C ARG D 17 2.805 2.196 -9.356 1.00 0.00 C ATOM 768 O ARG D 17 1.885 3.005 -9.219 1.00 0.00 O ATOM 769 CB ARG D 17 4.444 2.152 -11.273 1.00 0.00 C ATOM 770 CG ARG D 17 4.085 3.182 -12.349 1.00 0.00 C ATOM 771 CD ARG D 17 5.236 4.177 -12.492 1.00 0.00 C ATOM 772 NE ARG D 17 5.010 5.143 -13.572 1.00 0.00 N ATOM 773 CZ ARG D 17 5.972 5.864 -14.160 1.00 0.00 C ATOM 774 NH1 ARG D 17 7.205 5.878 -13.667 1.00 0.00 N ATOM 775 NH2 ARG D 17 5.720 6.563 -15.258 1.00 0.00 N ATOM 0 H ARG D 17 5.787 1.390 -9.369 1.00 0.00 H new ATOM 0 HA ARG D 17 4.211 3.737 -9.832 1.00 0.00 H new ATOM 0 HB2 ARG D 17 5.498 1.891 -11.368 1.00 0.00 H new ATOM 0 HB3 ARG D 17 3.872 1.241 -11.448 1.00 0.00 H new ATOM 0 HG2 ARG D 17 3.899 2.683 -13.300 1.00 0.00 H new ATOM 0 HG3 ARG D 17 3.168 3.705 -12.078 1.00 0.00 H new ATOM 0 HD2 ARG D 17 5.369 4.712 -11.552 1.00 0.00 H new ATOM 0 HD3 ARG D 17 6.161 3.633 -12.683 1.00 0.00 H new ATOM 0 HE ARG D 17 4.052 5.275 -13.898 1.00 0.00 H new ATOM 0 HH11 ARG D 17 7.427 5.336 -12.832 1.00 0.00 H new ATOM 0 HH12 ARG D 17 7.930 6.431 -14.123 1.00 0.00 H new ATOM 0 HH21 ARG D 17 4.784 6.555 -15.664 1.00 0.00 H new ATOM 0 HH22 ARG D 17 6.462 7.109 -15.697 1.00 0.00 H new ATOM 789 N PHE D 18 2.716 0.906 -9.053 1.00 0.00 N ATOM 790 CA PHE D 18 1.535 0.239 -8.571 1.00 0.00 C ATOM 791 C PHE D 18 1.046 0.862 -7.263 1.00 0.00 C ATOM 792 O PHE D 18 -0.128 1.182 -7.166 1.00 0.00 O ATOM 793 CB PHE D 18 1.901 -1.234 -8.398 1.00 0.00 C ATOM 794 CG PHE D 18 0.845 -2.044 -7.699 1.00 0.00 C ATOM 795 CD1 PHE D 18 0.766 -2.022 -6.293 1.00 0.00 C ATOM 796 CD2 PHE D 18 -0.057 -2.811 -8.453 1.00 0.00 C ATOM 797 CE1 PHE D 18 -0.220 -2.770 -5.640 1.00 0.00 C ATOM 798 CE2 PHE D 18 -1.028 -3.580 -7.798 1.00 0.00 C ATOM 799 CZ PHE D 18 -1.094 -3.561 -6.397 1.00 0.00 C ATOM 0 H PHE D 18 3.512 0.274 -9.145 1.00 0.00 H new ATOM 0 HA PHE D 18 0.711 0.343 -9.277 1.00 0.00 H new ATOM 0 HB2 PHE D 18 2.089 -1.670 -9.379 1.00 0.00 H new ATOM 0 HB3 PHE D 18 2.831 -1.304 -7.834 1.00 0.00 H new ATOM 0 HD1 PHE D 18 1.464 -1.430 -5.721 1.00 0.00 H new ATOM 0 HD2 PHE D 18 -0.003 -2.808 -9.532 1.00 0.00 H new ATOM 0 HE1 PHE D 18 -0.306 -2.738 -4.564 1.00 0.00 H new ATOM 0 HE2 PHE D 18 -1.720 -4.183 -8.367 1.00 0.00 H new ATOM 0 HZ PHE D 18 -1.832 -4.167 -5.893 1.00 0.00 H new ATOM 809 N TYR D 19 1.925 1.138 -6.294 1.00 0.00 N ATOM 810 CA TYR D 19 1.594 1.713 -4.989 1.00 0.00 C ATOM 811 C TYR D 19 0.886 3.063 -5.106 1.00 0.00 C ATOM 812 O TYR D 19 0.131 3.464 -4.214 1.00 0.00 O ATOM 813 CB TYR D 19 2.865 1.827 -4.139 1.00 0.00 C ATOM 814 CG TYR D 19 2.600 2.239 -2.712 1.00 0.00 C ATOM 815 CD1 TYR D 19 2.206 1.261 -1.782 1.00 0.00 C ATOM 816 CD2 TYR D 19 2.731 3.584 -2.321 1.00 0.00 C ATOM 817 CE1 TYR D 19 1.928 1.623 -0.456 1.00 0.00 C ATOM 818 CE2 TYR D 19 2.438 3.960 -0.995 1.00 0.00 C ATOM 819 CZ TYR D 19 2.030 2.974 -0.064 1.00 0.00 C ATOM 820 OH TYR D 19 1.728 3.293 1.220 1.00 0.00 O ATOM 0 H TYR D 19 2.923 0.960 -6.403 1.00 0.00 H new ATOM 0 HA TYR D 19 0.890 1.042 -4.497 1.00 0.00 H new ATOM 0 HB2 TYR D 19 3.382 0.867 -4.142 1.00 0.00 H new ATOM 0 HB3 TYR D 19 3.537 2.552 -4.599 1.00 0.00 H new ATOM 0 HD1 TYR D 19 2.117 0.229 -2.089 1.00 0.00 H new ATOM 0 HD2 TYR D 19 3.055 4.326 -3.035 1.00 0.00 H new ATOM 0 HE1 TYR D 19 1.637 0.870 0.262 1.00 0.00 H new ATOM 0 HE2 TYR D 19 2.524 4.993 -0.691 1.00 0.00 H new ATOM 0 HH TYR D 19 1.842 4.257 1.353 1.00 0.00 H new ATOM 830 N ASN D 20 1.185 3.813 -6.166 1.00 0.00 N ATOM 831 CA ASN D 20 0.554 5.099 -6.398 1.00 0.00 C ATOM 832 C ASN D 20 -0.904 4.833 -6.733 1.00 0.00 C ATOM 833 O ASN D 20 -1.790 5.320 -6.039 1.00 0.00 O ATOM 834 CB ASN D 20 1.265 5.841 -7.535 1.00 0.00 C ATOM 835 CG ASN D 20 1.179 7.339 -7.314 1.00 0.00 C ATOM 836 OD1 ASN D 20 0.118 7.932 -7.463 1.00 0.00 O ATOM 837 ND2 ASN D 20 2.262 7.955 -6.869 1.00 0.00 N ATOM 0 H ASN D 20 1.865 3.545 -6.878 1.00 0.00 H new ATOM 0 HA ASN D 20 0.621 5.734 -5.515 1.00 0.00 H new ATOM 0 HB2 ASN D 20 2.309 5.532 -7.584 1.00 0.00 H new ATOM 0 HB3 ASN D 20 0.810 5.580 -8.490 1.00 0.00 H new ATOM 0 HD21 ASN D 20 2.226 8.948 -6.641 1.00 0.00 H new ATOM 0 HD22 ASN D 20 3.133 7.436 -6.754 1.00 0.00 H new ATOM 844 N ASP D 21 -1.131 3.947 -7.700 1.00 0.00 N ATOM 845 CA ASP D 21 -2.446 3.537 -8.185 1.00 0.00 C ATOM 846 C ASP D 21 -3.261 2.778 -7.136 1.00 0.00 C ATOM 847 O ASP D 21 -4.474 2.990 -7.028 1.00 0.00 O ATOM 848 CB ASP D 21 -2.271 2.688 -9.453 1.00 0.00 C ATOM 849 CG ASP D 21 -2.765 3.482 -10.650 1.00 0.00 C ATOM 850 OD1 ASP D 21 -1.954 4.282 -11.176 1.00 0.00 O ATOM 851 OD2 ASP D 21 -4.005 3.577 -10.797 1.00 0.00 O ATOM 0 H ASP D 21 -0.370 3.475 -8.188 1.00 0.00 H new ATOM 0 HA ASP D 21 -3.013 4.440 -8.411 1.00 0.00 H new ATOM 0 HB2 ASP D 21 -1.223 2.420 -9.585 1.00 0.00 H new ATOM 0 HB3 ASP D 21 -2.829 1.756 -9.363 1.00 0.00 H new ATOM 856 N LEU D 22 -2.586 1.994 -6.287 1.00 0.00 N ATOM 857 CA LEU D 22 -3.126 1.181 -5.196 1.00 0.00 C ATOM 858 C LEU D 22 -3.953 2.044 -4.255 1.00 0.00 C ATOM 859 O LEU D 22 -4.833 1.532 -3.565 1.00 0.00 O ATOM 860 CB LEU D 22 -1.960 0.529 -4.424 1.00 0.00 C ATOM 861 CG LEU D 22 -2.333 -0.172 -3.099 1.00 0.00 C ATOM 862 CD1 LEU D 22 -3.209 -1.411 -3.305 1.00 0.00 C ATOM 863 CD2 LEU D 22 -1.076 -0.547 -2.312 1.00 0.00 C ATOM 0 H LEU D 22 -1.572 1.906 -6.352 1.00 0.00 H new ATOM 0 HA LEU D 22 -3.770 0.405 -5.610 1.00 0.00 H new ATOM 0 HB2 LEU D 22 -1.482 -0.202 -5.076 1.00 0.00 H new ATOM 0 HB3 LEU D 22 -1.218 1.298 -4.209 1.00 0.00 H new ATOM 0 HG LEU D 22 -2.921 0.546 -2.527 1.00 0.00 H new ATOM 0 HD11 LEU D 22 -3.438 -1.860 -2.338 1.00 0.00 H new ATOM 0 HD12 LEU D 22 -4.136 -1.123 -3.800 1.00 0.00 H new ATOM 0 HD13 LEU D 22 -2.677 -2.134 -3.924 1.00 0.00 H new ATOM 0 HD21 LEU D 22 -1.362 -1.039 -1.383 1.00 0.00 H new ATOM 0 HD22 LEU D 22 -0.462 -1.223 -2.907 1.00 0.00 H new ATOM 0 HD23 LEU D 22 -0.507 0.354 -2.085 1.00 0.00 H new ATOM 875 N GLN D 23 -3.682 3.349 -4.199 1.00 0.00 N ATOM 876 CA GLN D 23 -4.400 4.287 -3.360 1.00 0.00 C ATOM 877 C GLN D 23 -5.918 4.143 -3.569 1.00 0.00 C ATOM 878 O GLN D 23 -6.670 4.204 -2.599 1.00 0.00 O ATOM 879 CB GLN D 23 -3.853 5.699 -3.634 1.00 0.00 C ATOM 880 CG GLN D 23 -4.418 6.324 -4.918 1.00 0.00 C ATOM 881 CD GLN D 23 -3.670 7.565 -5.396 1.00 0.00 C ATOM 882 OE1 GLN D 23 -3.749 7.910 -6.572 1.00 0.00 O ATOM 883 NE2 GLN D 23 -3.229 8.426 -4.494 1.00 0.00 N ATOM 0 H GLN D 23 -2.941 3.784 -4.749 1.00 0.00 H new ATOM 0 HA GLN D 23 -4.240 4.078 -2.302 1.00 0.00 H new ATOM 0 HB2 GLN D 23 -4.089 6.344 -2.788 1.00 0.00 H new ATOM 0 HB3 GLN D 23 -2.766 5.654 -3.706 1.00 0.00 H new ATOM 0 HG2 GLN D 23 -4.400 5.576 -5.710 1.00 0.00 H new ATOM 0 HG3 GLN D 23 -5.463 6.586 -4.751 1.00 0.00 H new ATOM 0 HE21 GLN D 23 -3.160 8.148 -3.515 1.00 0.00 H new ATOM 0 HE22 GLN D 23 -2.958 9.368 -4.777 1.00 0.00 H new ATOM 892 N GLN D 24 -6.361 3.835 -4.799 1.00 0.00 N ATOM 893 CA GLN D 24 -7.772 3.661 -5.125 1.00 0.00 C ATOM 894 C GLN D 24 -8.441 2.526 -4.337 1.00 0.00 C ATOM 895 O GLN D 24 -9.654 2.586 -4.161 1.00 0.00 O ATOM 896 CB GLN D 24 -7.986 3.434 -6.629 1.00 0.00 C ATOM 897 CG GLN D 24 -7.803 4.705 -7.475 1.00 0.00 C ATOM 898 CD GLN D 24 -8.628 4.622 -8.762 1.00 0.00 C ATOM 899 OE1 GLN D 24 -8.438 3.725 -9.577 1.00 0.00 O ATOM 900 NE2 GLN D 24 -9.708 5.376 -8.872 1.00 0.00 N ATOM 0 H GLN D 24 -5.739 3.700 -5.596 1.00 0.00 H new ATOM 0 HA GLN D 24 -8.249 4.595 -4.830 1.00 0.00 H new ATOM 0 HB2 GLN D 24 -7.287 2.673 -6.976 1.00 0.00 H new ATOM 0 HB3 GLN D 24 -8.990 3.042 -6.790 1.00 0.00 H new ATOM 0 HG2 GLN D 24 -8.107 5.579 -6.898 1.00 0.00 H new ATOM 0 HG3 GLN D 24 -6.749 4.836 -7.721 1.00 0.00 H new ATOM 0 HE21 GLN D 24 -9.878 6.125 -8.201 1.00 0.00 H new ATOM 0 HE22 GLN D 24 -10.372 5.209 -9.628 1.00 0.00 H new ATOM 909 N TYR D 25 -7.698 1.505 -3.896 1.00 0.00 N ATOM 910 CA TYR D 25 -8.199 0.356 -3.142 1.00 0.00 C ATOM 911 C TYR D 25 -8.941 0.853 -1.901 1.00 0.00 C ATOM 912 O TYR D 25 -10.170 0.826 -1.849 1.00 0.00 O ATOM 913 CB TYR D 25 -7.012 -0.583 -2.828 1.00 0.00 C ATOM 914 CG TYR D 25 -7.284 -1.984 -2.294 1.00 0.00 C ATOM 915 CD1 TYR D 25 -7.920 -2.200 -1.054 1.00 0.00 C ATOM 916 CD2 TYR D 25 -6.767 -3.091 -2.996 1.00 0.00 C ATOM 917 CE1 TYR D 25 -8.063 -3.506 -0.545 1.00 0.00 C ATOM 918 CE2 TYR D 25 -6.920 -4.398 -2.503 1.00 0.00 C ATOM 919 CZ TYR D 25 -7.571 -4.615 -1.270 1.00 0.00 C ATOM 920 OH TYR D 25 -7.681 -5.869 -0.753 1.00 0.00 O ATOM 0 H TYR D 25 -6.693 1.457 -4.062 1.00 0.00 H new ATOM 0 HA TYR D 25 -8.920 -0.224 -3.718 1.00 0.00 H new ATOM 0 HB2 TYR D 25 -6.429 -0.690 -3.743 1.00 0.00 H new ATOM 0 HB3 TYR D 25 -6.377 -0.075 -2.103 1.00 0.00 H new ATOM 0 HD1 TYR D 25 -8.300 -1.360 -0.491 1.00 0.00 H new ATOM 0 HD2 TYR D 25 -6.245 -2.932 -3.928 1.00 0.00 H new ATOM 0 HE1 TYR D 25 -8.552 -3.661 0.406 1.00 0.00 H new ATOM 0 HE2 TYR D 25 -6.539 -5.236 -3.068 1.00 0.00 H new ATOM 0 HH TYR D 25 -7.815 -6.512 -1.480 1.00 0.00 H new ATOM 930 N LEU D 26 -8.207 1.397 -0.930 1.00 0.00 N ATOM 931 CA LEU D 26 -8.792 1.898 0.306 1.00 0.00 C ATOM 932 C LEU D 26 -9.644 3.139 0.061 1.00 0.00 C ATOM 933 O LEU D 26 -10.675 3.314 0.722 1.00 0.00 O ATOM 934 CB LEU D 26 -7.664 2.189 1.310 1.00 0.00 C ATOM 935 CG LEU D 26 -7.023 0.891 1.841 1.00 0.00 C ATOM 936 CD1 LEU D 26 -5.666 1.172 2.479 1.00 0.00 C ATOM 937 CD2 LEU D 26 -7.935 0.230 2.875 1.00 0.00 C ATOM 0 H LEU D 26 -7.194 1.501 -0.981 1.00 0.00 H new ATOM 0 HA LEU D 26 -9.457 1.138 0.717 1.00 0.00 H new ATOM 0 HB2 LEU D 26 -6.901 2.802 0.832 1.00 0.00 H new ATOM 0 HB3 LEU D 26 -8.060 2.767 2.145 1.00 0.00 H new ATOM 0 HG LEU D 26 -6.884 0.220 0.993 1.00 0.00 H new ATOM 0 HD11 LEU D 26 -5.236 0.240 2.845 1.00 0.00 H new ATOM 0 HD12 LEU D 26 -5.000 1.612 1.737 1.00 0.00 H new ATOM 0 HD13 LEU D 26 -5.792 1.865 3.311 1.00 0.00 H new ATOM 0 HD21 LEU D 26 -7.468 -0.685 3.240 1.00 0.00 H new ATOM 0 HD22 LEU D 26 -8.095 0.913 3.709 1.00 0.00 H new ATOM 0 HD23 LEU D 26 -8.893 -0.010 2.414 1.00 0.00 H new ATOM 949 N ASN D 27 -9.236 3.992 -0.884 1.00 0.00 N ATOM 950 CA ASN D 27 -9.926 5.228 -1.234 1.00 0.00 C ATOM 951 C ASN D 27 -11.381 4.960 -1.623 1.00 0.00 C ATOM 952 O ASN D 27 -12.265 5.442 -0.922 1.00 0.00 O ATOM 953 CB ASN D 27 -9.142 5.958 -2.330 1.00 0.00 C ATOM 954 CG ASN D 27 -9.698 7.317 -2.718 1.00 0.00 C ATOM 955 OD1 ASN D 27 -10.867 7.454 -3.058 1.00 0.00 O ATOM 956 ND2 ASN D 27 -8.854 8.330 -2.806 1.00 0.00 N ATOM 0 H ASN D 27 -8.395 3.834 -1.438 1.00 0.00 H new ATOM 0 HA ASN D 27 -9.966 5.881 -0.362 1.00 0.00 H new ATOM 0 HB2 ASN D 27 -8.112 6.085 -1.996 1.00 0.00 H new ATOM 0 HB3 ASN D 27 -9.114 5.326 -3.218 1.00 0.00 H new ATOM 0 HD21 ASN D 27 -9.175 9.232 -3.158 1.00 0.00 H new ATOM 0 HD22 ASN D 27 -7.882 8.210 -2.521 1.00 0.00 H new ATOM 963 N VAL D 28 -11.651 4.153 -2.652 1.00 0.00 N ATOM 964 CA VAL D 28 -13.011 3.848 -3.106 1.00 0.00 C ATOM 965 C VAL D 28 -13.822 3.148 -2.009 1.00 0.00 C ATOM 966 O VAL D 28 -14.974 3.518 -1.763 1.00 0.00 O ATOM 967 CB VAL D 28 -12.941 2.998 -4.399 1.00 0.00 C ATOM 968 CG1 VAL D 28 -14.319 2.495 -4.857 1.00 0.00 C ATOM 969 CG2 VAL D 28 -12.313 3.785 -5.563 1.00 0.00 C ATOM 0 H VAL D 28 -10.926 3.689 -3.199 1.00 0.00 H new ATOM 0 HA VAL D 28 -13.530 4.780 -3.329 1.00 0.00 H new ATOM 0 HB VAL D 28 -12.317 2.142 -4.142 1.00 0.00 H new ATOM 0 HG11 VAL D 28 -14.207 1.906 -5.767 1.00 0.00 H new ATOM 0 HG12 VAL D 28 -14.758 1.875 -4.075 1.00 0.00 H new ATOM 0 HG13 VAL D 28 -14.970 3.347 -5.054 1.00 0.00 H new ATOM 0 HG21 VAL D 28 -12.281 3.156 -6.452 1.00 0.00 H new ATOM 0 HG22 VAL D 28 -12.912 4.672 -5.768 1.00 0.00 H new ATOM 0 HG23 VAL D 28 -11.300 4.085 -5.295 1.00 0.00 H new ATOM 979 N VAL D 29 -13.230 2.184 -1.300 1.00 0.00 N ATOM 980 CA VAL D 29 -13.914 1.441 -0.244 1.00 0.00 C ATOM 981 C VAL D 29 -14.470 2.376 0.842 1.00 0.00 C ATOM 982 O VAL D 29 -15.637 2.256 1.222 1.00 0.00 O ATOM 983 CB VAL D 29 -12.938 0.380 0.320 1.00 0.00 C ATOM 984 CG1 VAL D 29 -13.469 -0.321 1.576 1.00 0.00 C ATOM 985 CG2 VAL D 29 -12.667 -0.717 -0.719 1.00 0.00 C ATOM 0 H VAL D 29 -12.262 1.898 -1.444 1.00 0.00 H new ATOM 0 HA VAL D 29 -14.785 0.931 -0.656 1.00 0.00 H new ATOM 0 HB VAL D 29 -12.032 0.931 0.571 1.00 0.00 H new ATOM 0 HG11 VAL D 29 -12.738 -1.052 1.921 1.00 0.00 H new ATOM 0 HG12 VAL D 29 -13.641 0.417 2.359 1.00 0.00 H new ATOM 0 HG13 VAL D 29 -14.406 -0.827 1.342 1.00 0.00 H new ATOM 0 HG21 VAL D 29 -11.979 -1.452 -0.301 1.00 0.00 H new ATOM 0 HG22 VAL D 29 -13.604 -1.207 -0.984 1.00 0.00 H new ATOM 0 HG23 VAL D 29 -12.226 -0.272 -1.611 1.00 0.00 H new ATOM 995 N THR D 30 -13.718 3.404 1.229 1.00 0.00 N ATOM 996 CA THR D 30 -14.100 4.353 2.276 1.00 0.00 C ATOM 997 C THR D 30 -14.489 5.738 1.762 1.00 0.00 C ATOM 998 O THR D 30 -14.631 6.655 2.571 1.00 0.00 O ATOM 999 CB THR D 30 -12.894 4.483 3.221 1.00 0.00 C ATOM 1000 OG1 THR D 30 -11.775 5.003 2.522 1.00 0.00 O ATOM 1001 CG2 THR D 30 -12.477 3.158 3.865 1.00 0.00 C ATOM 0 H THR D 30 -12.807 3.606 0.816 1.00 0.00 H new ATOM 0 HA THR D 30 -14.992 3.966 2.769 1.00 0.00 H new ATOM 0 HB THR D 30 -13.214 5.157 4.015 1.00 0.00 H new ATOM 0 HG1 THR D 30 -11.381 4.299 1.965 1.00 0.00 H new ATOM 0 HG21 THR D 30 -11.621 3.325 4.519 1.00 0.00 H new ATOM 0 HG22 THR D 30 -13.307 2.760 4.449 1.00 0.00 H new ATOM 0 HG23 THR D 30 -12.206 2.445 3.087 1.00 0.00 H new ATOM 1009 N ARG D 31 -14.671 5.922 0.449 1.00 0.00 N ATOM 1010 CA ARG D 31 -14.970 7.223 -0.169 1.00 0.00 C ATOM 1011 C ARG D 31 -13.943 8.271 0.312 1.00 0.00 C ATOM 1012 O ARG D 31 -14.257 9.451 0.479 1.00 0.00 O ATOM 1013 CB ARG D 31 -16.429 7.648 0.054 1.00 0.00 C ATOM 1014 CG ARG D 31 -16.871 8.605 -1.064 1.00 0.00 C ATOM 1015 CD ARG D 31 -17.894 9.653 -0.614 1.00 0.00 C ATOM 1016 NE ARG D 31 -18.426 10.363 -1.788 1.00 0.00 N ATOM 1017 CZ ARG D 31 -18.500 11.680 -2.008 1.00 0.00 C ATOM 1018 NH1 ARG D 31 -18.151 12.571 -1.086 1.00 0.00 N ATOM 1019 NH2 ARG D 31 -18.933 12.116 -3.183 1.00 0.00 N ATOM 0 H ARG D 31 -14.614 5.160 -0.226 1.00 0.00 H new ATOM 0 HA ARG D 31 -14.869 7.135 -1.251 1.00 0.00 H new ATOM 0 HB2 ARG D 31 -17.075 6.770 0.069 1.00 0.00 H new ATOM 0 HB3 ARG D 31 -16.531 8.136 1.024 1.00 0.00 H new ATOM 0 HG2 ARG D 31 -15.993 9.115 -1.461 1.00 0.00 H new ATOM 0 HG3 ARG D 31 -17.297 8.022 -1.881 1.00 0.00 H new ATOM 0 HD2 ARG D 31 -18.706 9.172 -0.069 1.00 0.00 H new ATOM 0 HD3 ARG D 31 -17.427 10.361 0.070 1.00 0.00 H new ATOM 0 HE ARG D 31 -18.787 9.770 -2.535 1.00 0.00 H new ATOM 0 HH11 ARG D 31 -17.814 12.258 -0.176 1.00 0.00 H new ATOM 0 HH12 ARG D 31 -18.220 13.568 -1.288 1.00 0.00 H new ATOM 0 HH21 ARG D 31 -19.205 11.449 -3.906 1.00 0.00 H new ATOM 0 HH22 ARG D 31 -18.994 13.118 -3.364 1.00 0.00 H new ATOM 1033 N HIS D 32 -12.721 7.805 0.584 1.00 0.00 N ATOM 1034 CA HIS D 32 -11.569 8.540 1.071 1.00 0.00 C ATOM 1035 C HIS D 32 -11.845 9.291 2.381 1.00 0.00 C ATOM 1036 O HIS D 32 -11.321 10.382 2.612 1.00 0.00 O ATOM 1037 CB HIS D 32 -11.009 9.418 -0.046 1.00 0.00 C ATOM 1038 CG HIS D 32 -9.553 9.770 0.121 1.00 0.00 C ATOM 1039 ND1 HIS D 32 -9.003 11.019 -0.026 1.00 0.00 N ATOM 1040 CD2 HIS D 32 -8.531 8.896 0.362 1.00 0.00 C ATOM 1041 CE1 HIS D 32 -7.673 10.900 0.109 1.00 0.00 C ATOM 1042 NE2 HIS D 32 -7.336 9.624 0.373 1.00 0.00 N ATOM 0 H HIS D 32 -12.502 6.817 0.455 1.00 0.00 H new ATOM 0 HA HIS D 32 -10.792 7.826 1.345 1.00 0.00 H new ATOM 0 HB2 HIS D 32 -11.141 8.904 -0.998 1.00 0.00 H new ATOM 0 HB3 HIS D 32 -11.591 10.338 -0.097 1.00 0.00 H new ATOM 0 HD2 HIS D 32 -8.628 7.832 0.517 1.00 0.00 H new ATOM 0 HE1 HIS D 32 -6.970 11.715 0.018 1.00 0.00 H new ATOM 0 HE2 HIS D 32 -6.399 9.261 0.546 1.00 0.00 H new ATOM 1050 N ARG D 33 -12.666 8.723 3.273 1.00 0.00 N ATOM 1051 CA ARG D 33 -12.967 9.354 4.561 1.00 0.00 C ATOM 1052 C ARG D 33 -11.700 9.497 5.411 1.00 0.00 C ATOM 1053 O ARG D 33 -11.557 10.482 6.137 1.00 0.00 O ATOM 1054 CB ARG D 33 -14.096 8.594 5.278 1.00 0.00 C ATOM 1055 CG ARG D 33 -15.462 9.103 4.781 1.00 0.00 C ATOM 1056 CD ARG D 33 -16.634 8.401 5.474 1.00 0.00 C ATOM 1057 NE ARG D 33 -16.795 7.010 5.037 1.00 0.00 N ATOM 1058 CZ ARG D 33 -17.480 6.548 3.986 1.00 0.00 C ATOM 1059 NH1 ARG D 33 -18.118 7.357 3.141 1.00 0.00 N ATOM 1060 NH2 ARG D 33 -17.499 5.235 3.800 1.00 0.00 N ATOM 0 H ARG D 33 -13.133 7.828 3.125 1.00 0.00 H new ATOM 0 HA ARG D 33 -13.330 10.367 4.388 1.00 0.00 H new ATOM 0 HB2 ARG D 33 -14.005 7.524 5.089 1.00 0.00 H new ATOM 0 HB3 ARG D 33 -14.015 8.735 6.356 1.00 0.00 H new ATOM 0 HG2 ARG D 33 -15.531 10.177 4.954 1.00 0.00 H new ATOM 0 HG3 ARG D 33 -15.535 8.948 3.704 1.00 0.00 H new ATOM 0 HD2 ARG D 33 -16.480 8.424 6.553 1.00 0.00 H new ATOM 0 HD3 ARG D 33 -17.553 8.951 5.272 1.00 0.00 H new ATOM 0 HE ARG D 33 -16.325 6.307 5.607 1.00 0.00 H new ATOM 0 HH11 ARG D 33 -18.094 8.366 3.285 1.00 0.00 H new ATOM 0 HH12 ARG D 33 -18.630 6.967 2.350 1.00 0.00 H new ATOM 0 HH21 ARG D 33 -17.003 4.621 4.446 1.00 0.00 H new ATOM 0 HH22 ARG D 33 -18.009 4.839 3.011 1.00 0.00 H new ATOM 1074 N TYR D 34 -10.766 8.551 5.300 1.00 0.00 N ATOM 1075 CA TYR D 34 -9.511 8.577 6.040 1.00 0.00 C ATOM 1076 C TYR D 34 -8.631 9.743 5.583 1.00 0.00 C ATOM 1077 O TYR D 34 -8.837 10.347 4.532 1.00 0.00 O ATOM 1078 CB TYR D 34 -8.768 7.242 5.892 1.00 0.00 C ATOM 1079 CG TYR D 34 -8.238 6.897 4.511 1.00 0.00 C ATOM 1080 CD1 TYR D 34 -6.984 7.372 4.073 1.00 0.00 C ATOM 1081 CD2 TYR D 34 -8.978 6.038 3.686 1.00 0.00 C ATOM 1082 CE1 TYR D 34 -6.494 7.031 2.797 1.00 0.00 C ATOM 1083 CE2 TYR D 34 -8.494 5.691 2.416 1.00 0.00 C ATOM 1084 CZ TYR D 34 -7.254 6.185 1.959 1.00 0.00 C ATOM 1085 OH TYR D 34 -6.844 5.875 0.697 1.00 0.00 O ATOM 0 H TYR D 34 -10.864 7.741 4.688 1.00 0.00 H new ATOM 0 HA TYR D 34 -9.742 8.724 7.095 1.00 0.00 H new ATOM 0 HB2 TYR D 34 -7.928 7.243 6.587 1.00 0.00 H new ATOM 0 HB3 TYR D 34 -9.440 6.444 6.206 1.00 0.00 H new ATOM 0 HD1 TYR D 34 -6.394 8.003 4.722 1.00 0.00 H new ATOM 0 HD2 TYR D 34 -9.923 5.643 4.029 1.00 0.00 H new ATOM 0 HE1 TYR D 34 -5.542 7.415 2.461 1.00 0.00 H new ATOM 0 HE2 TYR D 34 -9.076 5.039 1.782 1.00 0.00 H new ATOM 0 HH TYR D 34 -7.205 5.001 0.441 1.00 0.00 H new HETATM 1095 N NH2 D 35 -7.557 10.016 6.305 1.00 0.00 N TER 1098 NH2 D 35 HETATM 1099 N ZAB A 10 2.689 -5.600 2.600 1.00 0.00 N HETATM 1100 CA ZAB A 10 1.601 -4.758 3.060 1.00 0.00 C HETATM 1101 CB ZAB A 10 0.485 -5.611 3.618 1.00 0.00 C HETATM 1102 CG2 ZAB A 10 -0.725 -5.760 2.914 1.00 0.00 C HETATM 1103 CD2 ZAB A 10 -1.766 -6.523 3.471 1.00 0.00 C HETATM 1104 CE ZAB A 10 -1.611 -7.117 4.737 1.00 0.00 C HETATM 1105 CD1 ZAB A 10 -0.395 -6.975 5.433 1.00 0.00 C HETATM 1106 CG1 ZAB A 10 0.659 -6.245 4.862 1.00 0.00 C HETATM 1107 NG ZAB A 10 -0.221 -7.531 6.691 1.00 0.00 N HETATM 1108 NI ZAB A 10 -0.954 -7.493 7.758 1.00 0.00 N HETATM 1109 CI ZAB A 10 -2.165 -6.870 8.001 1.00 0.00 C HETATM 1110 CJ2 ZAB A 10 -2.201 -5.524 8.409 1.00 0.00 C HETATM 1111 CK2 ZAB A 10 -3.442 -4.910 8.656 1.00 0.00 C HETATM 1112 CL ZAB A 10 -4.637 -5.630 8.473 1.00 0.00 C HETATM 1113 CK1 ZAB A 10 -4.597 -6.981 8.058 1.00 0.00 C HETATM 1114 CJ1 ZAB A 10 -3.353 -7.600 7.838 1.00 0.00 C HETATM 1115 CM ZAB A 10 -5.854 -7.817 7.889 1.00 0.00 C HETATM 1116 C ZAB A 10 -7.134 -7.090 7.470 1.00 0.00 C HETATM 1117 O ZAB A 10 -7.356 -6.919 6.264 1.00 0.00 O HETATM 0 HM3 ZAB A 10 -5.648 -8.589 7.148 1.00 0.00 H new HETATM 0 HM2 ZAB A 10 -6.049 -8.326 8.833 1.00 0.00 H new HETATM 0 HL ZAB A 10 -5.597 -5.145 8.652 1.00 0.00 H new HETATM 0 HK2 ZAB A 10 -3.478 -3.873 8.990 1.00 0.00 H new HETATM 0 HJ2 ZAB A 10 -1.275 -4.962 8.533 1.00 0.00 H new HETATM 0 HJ1 ZAB A 10 -3.311 -8.648 7.541 1.00 0.00 H new HETATM 0 HG2 ZAB A 10 -0.854 -5.286 1.941 1.00 0.00 H new HETATM 0 HG1 ZAB A 10 1.613 -6.169 5.383 1.00 0.00 H new HETATM 0 HE ZAB A 10 -2.430 -7.686 5.178 1.00 0.00 H new HETATM 0 HD2 ZAB A 10 -2.697 -6.655 2.920 1.00 0.00 H new HETATM 0 HA3 ZAB A 10 1.961 -4.071 3.825 1.00 0.00 H new HETATM 0 HA2 ZAB A 10 1.228 -4.150 2.236 1.00 0.00 H new HETATM 1131 N ZAB B 110 -2.515 -6.028 -2.483 1.00 0.00 N HETATM 1132 CA ZAB B 110 -1.430 -5.208 -3.000 1.00 0.00 C HETATM 1133 CB ZAB B 110 -0.322 -6.055 -3.609 1.00 0.00 C HETATM 1134 CG2 ZAB B 110 0.881 -6.244 -2.909 1.00 0.00 C HETATM 1135 CD2 ZAB B 110 1.926 -6.995 -3.478 1.00 0.00 C HETATM 1136 CE ZAB B 110 1.765 -7.582 -4.744 1.00 0.00 C HETATM 1137 CD1 ZAB B 110 0.564 -7.390 -5.454 1.00 0.00 C HETATM 1138 CG1 ZAB B 110 -0.467 -6.622 -4.890 1.00 0.00 C HETATM 1139 NG ZAB B 110 0.380 -7.883 -6.737 1.00 0.00 N HETATM 1140 NI ZAB B 110 1.116 -7.840 -7.803 1.00 0.00 N HETATM 1141 CI ZAB B 110 2.357 -7.270 -8.018 1.00 0.00 C HETATM 1142 CJ2 ZAB B 110 2.458 -5.980 -8.565 1.00 0.00 C HETATM 1143 CK2 ZAB B 110 3.717 -5.366 -8.671 1.00 0.00 C HETATM 1144 CL ZAB B 110 4.877 -6.047 -8.260 1.00 0.00 C HETATM 1145 CK1 ZAB B 110 4.780 -7.361 -7.753 1.00 0.00 C HETATM 1146 CJ1 ZAB B 110 3.515 -7.966 -7.637 1.00 0.00 C HETATM 1147 CM ZAB B 110 6.002 -8.152 -7.315 1.00 0.00 C HETATM 1148 C ZAB B 110 7.286 -7.363 -7.064 1.00 0.00 C HETATM 1149 O ZAB B 110 7.539 -6.969 -5.921 1.00 0.00 O HETATM 0 HM3 ZAB B 110 5.749 -8.687 -6.400 1.00 0.00 H new HETATM 0 HM2 ZAB B 110 6.210 -8.904 -8.077 1.00 0.00 H new HETATM 0 HL ZAB B 110 5.850 -5.561 -8.333 1.00 0.00 H new HETATM 0 HK2 ZAB B 110 3.795 -4.356 -9.074 1.00 0.00 H new HETATM 0 HJ2 ZAB B 110 1.564 -5.458 -8.906 1.00 0.00 H new HETATM 0 HJ1 ZAB B 110 3.434 -8.981 -7.249 1.00 0.00 H new HETATM 0 HG2 ZAB B 110 1.006 -5.806 -1.919 1.00 0.00 H new HETATM 0 HG1 ZAB B 110 -1.389 -6.463 -5.449 1.00 0.00 H new HETATM 0 HE ZAB B 110 2.566 -8.183 -5.175 1.00 0.00 H new HETATM 0 HD2 ZAB B 110 2.863 -7.122 -2.935 1.00 0.00 H new HETATM 0 HA3 ZAB B 110 -1.819 -4.523 -3.753 1.00 0.00 H new HETATM 0 HA2 ZAB B 110 -1.020 -4.598 -2.195 1.00 0.00 H new