USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 716 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 12 HIS :FLIP no HD1:sc= -3.89 F(o=-14!,f=-12) USER MOD Set 1.2: B 13 HIS : no HD1:sc= -8.24! C(o=-12!,f=-16!) USER MOD Set 2.1: A 37 SER OG : rot 180:sc= 0 USER MOD Set 2.2: B 5 HIS :FLIP no HE2:sc= -3.64 F(o=-7.1!,f=-3.7) USER MOD Set 2.3: B 6 HIS : no HD1:sc= -0.0425 X(o=-3.7,f=-3.9) USER MOD Set 3.1: A 12 HIS :FLIP no HD1:sc= -3.81 F(o=-14!,f=-12) USER MOD Set 3.2: A 13 HIS : no HD1:sc= -8.39! C(o=-12!,f=-16!) USER MOD Set 4.1: A 5 HIS :FLIP no HE2:sc= -3.63 F(o=-7!,f=-3.7) USER MOD Set 4.2: A 6 HIS : no HD1:sc= -0.0464 X(o=-3.7,f=-4) USER MOD Set 4.3: B 37 SER OG : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 147:sc= -0.19 (180deg=-0.854) USER MOD Single : A 4 LYS NZ :NH3+ -149:sc= -0.188 (180deg=-1.29!) USER MOD Single : A 8 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 11 SER OG : rot -50:sc= 0.231 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -118:sc= 0.0123 (180deg=-0.0186) USER MOD Single : A 27 HIS : no HD1:sc= -3.4 X(o=-3.4,f=-3.2!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.249 K(o=-0.25,f=-2!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.207 K(o=-0.21,f=-1.3) USER MOD Single : B 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 158:sc= -0.204 (180deg=-0.811) USER MOD Single : B 4 LYS NZ :NH3+ -143:sc= -0.25 (180deg=-1.18!) USER MOD Single : B 8 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : B 11 SER OG : rot -52:sc= 0.235 USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 22 LYS NZ :NH3+ -106:sc= 0.0552 (180deg=-0.0212) USER MOD Single : B 27 HIS : no HD1:sc= -3.64 X(o=-3.6,f=-3.3!) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 GLN : amide:sc= -0.296 K(o=-0.3,f=-1.8!) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 GLN : amide:sc= -0.196 K(o=-0.2,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -30.583 -14.963 2.708 1.00 0.00 N ATOM 2 CA ALA A 1 -31.683 -14.177 2.090 1.00 0.00 C ATOM 3 C ALA A 1 -31.251 -12.737 1.838 1.00 0.00 C ATOM 4 O ALA A 1 -30.929 -12.363 0.710 1.00 0.00 O ATOM 5 CB ALA A 1 -32.917 -14.210 2.979 1.00 0.00 C ATOM 0 H1 ALA A 1 -30.902 -15.940 2.869 1.00 0.00 H new ATOM 0 H2 ALA A 1 -29.760 -14.968 2.072 1.00 0.00 H new ATOM 0 H3 ALA A 1 -30.316 -14.532 3.616 1.00 0.00 H new ATOM 0 HA ALA A 1 -31.927 -14.631 1.129 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -33.715 -13.631 2.515 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -33.245 -15.241 3.108 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -32.676 -13.782 3.952 1.00 0.00 H new ATOM 13 N LEU A 2 -31.246 -11.932 2.896 1.00 0.00 N ATOM 14 CA LEU A 2 -30.853 -10.532 2.789 1.00 0.00 C ATOM 15 C LEU A 2 -29.447 -10.404 2.212 1.00 0.00 C ATOM 16 O LEU A 2 -28.762 -11.403 1.993 1.00 0.00 O ATOM 17 CB LEU A 2 -30.918 -9.856 4.159 1.00 0.00 C ATOM 18 CG LEU A 2 -32.329 -9.634 4.706 1.00 0.00 C ATOM 19 CD1 LEU A 2 -33.235 -9.057 3.629 1.00 0.00 C ATOM 20 CD2 LEU A 2 -32.902 -10.936 5.245 1.00 0.00 C ATOM 0 H LEU A 2 -31.510 -12.225 3.837 1.00 0.00 H new ATOM 0 HA LEU A 2 -31.550 -10.036 2.114 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -30.359 -10.462 4.873 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -30.414 -8.892 4.096 1.00 0.00 H new ATOM 0 HG LEU A 2 -32.272 -8.918 5.526 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -34.234 -8.906 4.037 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -32.834 -8.102 3.289 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -33.287 -9.749 2.788 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -33.906 -10.760 5.630 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -32.945 -11.674 4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -32.266 -11.309 6.048 1.00 0.00 H new ATOM 32 N LYS A 3 -29.023 -9.169 1.967 1.00 0.00 N ATOM 33 CA LYS A 3 -27.698 -8.911 1.416 1.00 0.00 C ATOM 34 C LYS A 3 -26.652 -8.832 2.525 1.00 0.00 C ATOM 35 O LYS A 3 -25.973 -9.815 2.821 1.00 0.00 O ATOM 36 CB LYS A 3 -27.701 -7.613 0.607 1.00 0.00 C ATOM 37 CG LYS A 3 -28.293 -7.766 -0.785 1.00 0.00 C ATOM 38 CD LYS A 3 -29.596 -6.995 -0.924 1.00 0.00 C ATOM 39 CE LYS A 3 -30.321 -7.354 -2.211 1.00 0.00 C ATOM 40 NZ LYS A 3 -30.484 -8.826 -2.365 1.00 0.00 N ATOM 0 H LYS A 3 -29.578 -8.331 2.141 1.00 0.00 H new ATOM 0 HA LYS A 3 -27.440 -9.740 0.757 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -28.265 -6.856 1.152 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -26.678 -7.246 0.520 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -27.578 -7.411 -1.527 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -28.470 -8.821 -0.992 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -30.240 -7.209 -0.071 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -29.390 -5.925 -0.907 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -31.301 -6.877 -2.220 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -29.766 -6.959 -3.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -31.376 -9.027 -2.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -29.689 -9.208 -2.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -30.501 -9.273 -1.426 1.00 0.00 H new ATOM 54 N LYS A 4 -26.529 -7.657 3.134 1.00 0.00 N ATOM 55 CA LYS A 4 -25.566 -7.450 4.211 1.00 0.00 C ATOM 56 C LYS A 4 -24.181 -7.942 3.806 1.00 0.00 C ATOM 57 O LYS A 4 -23.361 -8.289 4.657 1.00 0.00 O ATOM 58 CB LYS A 4 -26.026 -8.169 5.480 1.00 0.00 C ATOM 59 CG LYS A 4 -27.528 -8.113 5.701 1.00 0.00 C ATOM 60 CD LYS A 4 -27.957 -6.771 6.272 1.00 0.00 C ATOM 61 CE LYS A 4 -28.589 -6.926 7.646 1.00 0.00 C ATOM 62 NZ LYS A 4 -29.651 -7.971 7.653 1.00 0.00 N ATOM 0 H LYS A 4 -27.084 -6.834 2.901 1.00 0.00 H new ATOM 0 HA LYS A 4 -25.506 -6.380 4.410 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -25.713 -9.212 5.430 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -25.524 -7.727 6.340 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -28.043 -8.289 4.756 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -27.827 -8.911 6.380 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -27.093 -6.111 6.340 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -28.668 -6.297 5.595 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -27.819 -7.186 8.373 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -29.015 -5.973 7.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -30.379 -7.721 8.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -30.084 -8.033 6.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -29.232 -8.890 7.903 1.00 0.00 H new ATOM 76 N HIS A 5 -23.923 -7.966 2.503 1.00 0.00 N ATOM 77 CA HIS A 5 -22.635 -8.411 1.987 1.00 0.00 C ATOM 78 C HIS A 5 -21.797 -7.220 1.541 1.00 0.00 C ATOM 79 O HIS A 5 -20.567 -7.251 1.606 1.00 0.00 O ATOM 80 CB HIS A 5 -22.834 -9.378 0.817 1.00 0.00 C ATOM 81 CG HIS A 5 -23.878 -8.931 -0.158 1.00 0.00 C ATOM 82 ND1 HIS A 5 -23.981 -7.797 -0.891 1.00 0.00 N flip ATOM 83 CD2 HIS A 5 -24.987 -9.689 -0.474 1.00 0.00 C flip ATOM 84 CE1 HIS A 5 -25.135 -7.890 -1.625 1.00 0.00 C flip ATOM 85 NE2 HIS A 5 -25.725 -9.041 -1.358 1.00 0.00 N flip ATOM 0 H HIS A 5 -24.590 -7.682 1.785 1.00 0.00 H new ATOM 0 HA HIS A 5 -22.107 -8.930 2.787 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -21.887 -9.500 0.292 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -23.110 -10.357 1.208 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -23.322 -7.018 -0.896 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -25.216 -10.661 -0.063 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -25.503 -7.142 -2.312 1.00 0.00 H new ATOM 94 N HIS A 6 -22.472 -6.167 1.092 1.00 0.00 N ATOM 95 CA HIS A 6 -21.791 -4.960 0.638 1.00 0.00 C ATOM 96 C HIS A 6 -21.246 -4.170 1.822 1.00 0.00 C ATOM 97 O HIS A 6 -20.159 -3.598 1.749 1.00 0.00 O ATOM 98 CB HIS A 6 -22.746 -4.086 -0.178 1.00 0.00 C ATOM 99 CG HIS A 6 -22.794 -4.447 -1.630 1.00 0.00 C ATOM 100 ND1 HIS A 6 -22.078 -5.497 -2.169 1.00 0.00 N ATOM 101 CD2 HIS A 6 -23.478 -3.894 -2.659 1.00 0.00 C ATOM 102 CE1 HIS A 6 -22.320 -5.571 -3.466 1.00 0.00 C ATOM 103 NE2 HIS A 6 -23.166 -4.610 -3.787 1.00 0.00 N ATOM 0 H HIS A 6 -23.489 -6.125 1.033 1.00 0.00 H new ATOM 0 HA HIS A 6 -20.955 -5.258 0.005 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -23.749 -4.168 0.242 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -22.444 -3.043 -0.081 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -24.145 -3.047 -2.603 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -21.897 -6.295 -4.147 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -23.529 -4.429 -4.723 1.00 0.00 H new ATOM 112 N GLU A 7 -22.004 -4.148 2.915 1.00 0.00 N ATOM 113 CA GLU A 7 -21.589 -3.432 4.114 1.00 0.00 C ATOM 114 C GLU A 7 -20.302 -4.026 4.675 1.00 0.00 C ATOM 115 O GLU A 7 -19.464 -3.313 5.226 1.00 0.00 O ATOM 116 CB GLU A 7 -22.692 -3.479 5.172 1.00 0.00 C ATOM 117 CG GLU A 7 -22.276 -2.893 6.512 1.00 0.00 C ATOM 118 CD GLU A 7 -21.840 -3.955 7.502 1.00 0.00 C ATOM 119 OE1 GLU A 7 -22.721 -4.591 8.118 1.00 0.00 O ATOM 120 OE2 GLU A 7 -20.616 -4.151 7.661 1.00 0.00 O ATOM 0 H GLU A 7 -22.906 -4.617 2.994 1.00 0.00 H new ATOM 0 HA GLU A 7 -21.404 -2.392 3.844 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -23.562 -2.936 4.802 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -23.000 -4.514 5.318 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -21.459 -2.188 6.358 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -23.109 -2.330 6.932 1.00 0.00 H new ATOM 127 N ASN A 8 -20.149 -5.336 4.520 1.00 0.00 N ATOM 128 CA ASN A 8 -18.958 -6.024 5.001 1.00 0.00 C ATOM 129 C ASN A 8 -17.754 -5.638 4.156 1.00 0.00 C ATOM 130 O ASN A 8 -16.756 -5.133 4.672 1.00 0.00 O ATOM 131 CB ASN A 8 -19.163 -7.540 4.964 1.00 0.00 C ATOM 132 CG ASN A 8 -20.068 -8.030 6.077 1.00 0.00 C ATOM 133 OD1 ASN A 8 -20.604 -7.236 6.852 1.00 0.00 O ATOM 134 ND2 ASN A 8 -20.243 -9.342 6.164 1.00 0.00 N ATOM 0 H ASN A 8 -20.833 -5.941 4.066 1.00 0.00 H new ATOM 0 HA ASN A 8 -18.777 -5.724 6.033 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -19.590 -7.822 4.002 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -18.196 -8.036 5.041 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -20.841 -9.729 6.894 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -19.780 -9.963 5.501 1.00 0.00 H new ATOM 141 N GLU A 9 -17.862 -5.856 2.850 1.00 0.00 N ATOM 142 CA GLU A 9 -16.787 -5.508 1.933 1.00 0.00 C ATOM 143 C GLU A 9 -16.471 -4.016 2.030 1.00 0.00 C ATOM 144 O GLU A 9 -15.390 -3.576 1.642 1.00 0.00 O ATOM 145 CB GLU A 9 -17.171 -5.870 0.498 1.00 0.00 C ATOM 146 CG GLU A 9 -16.270 -6.926 -0.124 1.00 0.00 C ATOM 147 CD GLU A 9 -16.427 -8.284 0.531 1.00 0.00 C ATOM 148 OE1 GLU A 9 -15.713 -8.553 1.519 1.00 0.00 O ATOM 149 OE2 GLU A 9 -17.264 -9.080 0.055 1.00 0.00 O ATOM 0 H GLU A 9 -18.681 -6.271 2.405 1.00 0.00 H new ATOM 0 HA GLU A 9 -15.899 -6.076 2.211 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -18.200 -6.229 0.485 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -17.140 -4.970 -0.116 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -16.496 -7.011 -1.187 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -15.231 -6.606 -0.043 1.00 0.00 H new ATOM 156 N ILE A 10 -17.424 -3.244 2.552 1.00 0.00 N ATOM 157 CA ILE A 10 -17.254 -1.807 2.704 1.00 0.00 C ATOM 158 C ILE A 10 -16.244 -1.498 3.815 1.00 0.00 C ATOM 159 O ILE A 10 -15.288 -0.748 3.610 1.00 0.00 O ATOM 160 CB ILE A 10 -18.637 -1.120 2.962 1.00 0.00 C ATOM 161 CG1 ILE A 10 -18.899 -0.047 1.907 1.00 0.00 C ATOM 162 CG2 ILE A 10 -18.775 -0.523 4.366 1.00 0.00 C ATOM 163 CD1 ILE A 10 -20.143 -0.307 1.087 1.00 0.00 C ATOM 0 H ILE A 10 -18.324 -3.596 2.877 1.00 0.00 H new ATOM 0 HA ILE A 10 -16.851 -1.397 1.778 1.00 0.00 H new ATOM 0 HB ILE A 10 -19.387 -1.908 2.888 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -18.992 0.921 2.399 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -18.039 0.015 1.240 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -19.758 -0.064 4.471 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -18.661 -1.312 5.110 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -18.004 0.233 4.517 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -20.271 0.492 0.357 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -20.044 -1.260 0.568 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -21.012 -0.340 1.744 1.00 0.00 H new ATOM 175 N SER A 11 -16.470 -2.082 4.987 1.00 0.00 N ATOM 176 CA SER A 11 -15.589 -1.870 6.128 1.00 0.00 C ATOM 177 C SER A 11 -14.199 -2.432 5.857 1.00 0.00 C ATOM 178 O SER A 11 -13.214 -1.993 6.452 1.00 0.00 O ATOM 179 CB SER A 11 -16.179 -2.519 7.382 1.00 0.00 C ATOM 180 OG SER A 11 -15.911 -3.910 7.410 1.00 0.00 O ATOM 0 H SER A 11 -17.256 -2.706 5.171 1.00 0.00 H new ATOM 0 HA SER A 11 -15.500 -0.796 6.290 1.00 0.00 H new ATOM 0 HB2 SER A 11 -15.761 -2.047 8.271 1.00 0.00 H new ATOM 0 HB3 SER A 11 -17.256 -2.352 7.409 1.00 0.00 H new ATOM 0 HG SER A 11 -16.173 -4.311 6.555 1.00 0.00 H new ATOM 186 N HIS A 12 -14.123 -3.408 4.957 1.00 0.00 N ATOM 187 CA HIS A 12 -12.851 -4.025 4.616 1.00 0.00 C ATOM 188 C HIS A 12 -12.041 -3.113 3.689 1.00 0.00 C ATOM 189 O HIS A 12 -10.835 -2.949 3.872 1.00 0.00 O ATOM 190 CB HIS A 12 -13.099 -5.429 4.015 1.00 0.00 C ATOM 191 CG HIS A 12 -12.411 -5.721 2.711 1.00 0.00 C ATOM 192 ND1 HIS A 12 -12.912 -5.863 1.463 1.00 0.00 N flip ATOM 193 CD2 HIS A 12 -11.049 -5.904 2.599 1.00 0.00 C flip ATOM 194 CE1 HIS A 12 -11.855 -6.128 0.629 1.00 0.00 C flip ATOM 195 NE2 HIS A 12 -10.741 -6.146 1.337 1.00 0.00 N flip ATOM 0 H HIS A 12 -14.926 -3.786 4.454 1.00 0.00 H new ATOM 0 HA HIS A 12 -12.251 -4.158 5.516 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -12.783 -6.175 4.744 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -14.172 -5.557 3.873 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -10.344 -5.857 3.416 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -11.924 -6.295 -0.436 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -9.804 -6.317 0.973 1.00 0.00 H new ATOM 204 N HIS A 13 -12.706 -2.508 2.707 1.00 0.00 N ATOM 205 CA HIS A 13 -12.020 -1.606 1.788 1.00 0.00 C ATOM 206 C HIS A 13 -11.556 -0.358 2.525 1.00 0.00 C ATOM 207 O HIS A 13 -10.602 0.296 2.113 1.00 0.00 O ATOM 208 CB HIS A 13 -12.922 -1.195 0.625 1.00 0.00 C ATOM 209 CG HIS A 13 -13.628 -2.323 -0.048 1.00 0.00 C ATOM 210 ND1 HIS A 13 -13.111 -3.596 -0.148 1.00 0.00 N ATOM 211 CD2 HIS A 13 -14.825 -2.350 -0.668 1.00 0.00 C ATOM 212 CE1 HIS A 13 -13.965 -4.362 -0.806 1.00 0.00 C ATOM 213 NE2 HIS A 13 -15.013 -3.628 -1.133 1.00 0.00 N ATOM 0 H HIS A 13 -13.704 -2.624 2.529 1.00 0.00 H new ATOM 0 HA HIS A 13 -11.160 -2.142 1.386 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -13.665 -0.487 0.993 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.319 -0.669 -0.115 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -15.508 -1.521 -0.778 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -13.829 -5.408 -1.036 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -15.830 -3.957 -1.648 1.00 0.00 H new ATOM 222 N ALA A 14 -12.242 -0.033 3.620 1.00 0.00 N ATOM 223 CA ALA A 14 -11.894 1.137 4.414 1.00 0.00 C ATOM 224 C ALA A 14 -10.580 0.903 5.140 1.00 0.00 C ATOM 225 O ALA A 14 -9.631 1.674 4.991 1.00 0.00 O ATOM 226 CB ALA A 14 -13.004 1.459 5.405 1.00 0.00 C ATOM 0 H ALA A 14 -13.038 -0.563 3.974 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.776 1.991 3.746 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.727 2.336 5.990 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.928 1.661 4.863 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.153 0.610 6.073 1.00 0.00 H new ATOM 232 N LYS A 15 -10.522 -0.180 5.905 1.00 0.00 N ATOM 233 CA LYS A 15 -9.310 -0.527 6.626 1.00 0.00 C ATOM 234 C LYS A 15 -8.213 -0.947 5.649 1.00 0.00 C ATOM 235 O LYS A 15 -7.045 -1.055 6.024 1.00 0.00 O ATOM 236 CB LYS A 15 -9.585 -1.655 7.623 1.00 0.00 C ATOM 237 CG LYS A 15 -10.019 -1.164 8.994 1.00 0.00 C ATOM 238 CD LYS A 15 -8.854 -0.563 9.763 1.00 0.00 C ATOM 239 CE LYS A 15 -9.049 0.926 9.998 1.00 0.00 C ATOM 240 NZ LYS A 15 -9.510 1.215 11.384 1.00 0.00 N ATOM 0 H LYS A 15 -11.298 -0.829 6.040 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.973 0.351 7.177 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.360 -2.306 7.218 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -8.685 -2.260 7.731 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -10.806 -0.419 8.883 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -10.443 -1.993 9.561 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.748 -1.072 10.721 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.929 -0.727 9.210 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.111 1.449 9.811 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.777 1.313 9.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.631 2.241 11.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.418 0.737 11.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.804 0.869 12.064 1.00 0.00 H new ATOM 254 N GLU A 16 -8.596 -1.183 4.391 1.00 0.00 N ATOM 255 CA GLU A 16 -7.644 -1.590 3.368 1.00 0.00 C ATOM 256 C GLU A 16 -6.931 -0.384 2.769 1.00 0.00 C ATOM 257 O GLU A 16 -5.738 -0.445 2.493 1.00 0.00 O ATOM 258 CB GLU A 16 -8.353 -2.379 2.265 1.00 0.00 C ATOM 259 CG GLU A 16 -8.065 -3.871 2.304 1.00 0.00 C ATOM 260 CD GLU A 16 -8.164 -4.449 3.702 1.00 0.00 C ATOM 261 OE1 GLU A 16 -8.656 -3.738 4.605 1.00 0.00 O ATOM 262 OE2 GLU A 16 -7.751 -5.611 3.896 1.00 0.00 O ATOM 0 H GLU A 16 -9.558 -1.098 4.062 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.898 -2.229 3.840 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.428 -2.222 2.351 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.050 -1.984 1.295 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.766 -4.390 1.650 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.066 -4.055 1.909 1.00 0.00 H new ATOM 269 N ILE A 17 -7.659 0.715 2.574 1.00 0.00 N ATOM 270 CA ILE A 17 -7.059 1.922 2.015 1.00 0.00 C ATOM 271 C ILE A 17 -6.188 2.615 3.059 1.00 0.00 C ATOM 272 O ILE A 17 -5.152 3.196 2.733 1.00 0.00 O ATOM 273 CB ILE A 17 -8.136 2.900 1.490 1.00 0.00 C ATOM 274 CG1 ILE A 17 -7.499 4.223 1.043 1.00 0.00 C ATOM 275 CG2 ILE A 17 -9.197 3.144 2.551 1.00 0.00 C ATOM 276 CD1 ILE A 17 -8.508 5.297 0.699 1.00 0.00 C ATOM 0 H ILE A 17 -8.652 0.793 2.792 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.437 1.622 1.172 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.616 2.447 0.623 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.848 4.589 1.837 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -6.868 4.037 0.174 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.946 3.834 2.164 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -9.674 2.200 2.812 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.732 3.573 3.439 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -7.985 6.203 0.392 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -9.144 4.951 -0.116 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -9.123 5.512 1.573 1.00 0.00 H new ATOM 288 N GLU A 18 -6.609 2.537 4.317 1.00 0.00 N ATOM 289 CA GLU A 18 -5.862 3.148 5.409 1.00 0.00 C ATOM 290 C GLU A 18 -4.639 2.307 5.758 1.00 0.00 C ATOM 291 O GLU A 18 -3.554 2.839 5.998 1.00 0.00 O ATOM 292 CB GLU A 18 -6.755 3.313 6.640 1.00 0.00 C ATOM 293 CG GLU A 18 -7.034 4.762 6.998 1.00 0.00 C ATOM 294 CD GLU A 18 -8.113 4.904 8.053 1.00 0.00 C ATOM 295 OE1 GLU A 18 -8.743 3.883 8.399 1.00 0.00 O ATOM 296 OE2 GLU A 18 -8.330 6.037 8.533 1.00 0.00 O ATOM 0 H GLU A 18 -7.462 2.057 4.605 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.526 4.133 5.085 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.702 2.802 6.463 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.282 2.822 7.490 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.116 5.227 7.358 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.335 5.303 6.101 1.00 0.00 H new ATOM 303 N ARG A 19 -4.818 0.989 5.780 1.00 0.00 N ATOM 304 CA ARG A 19 -3.724 0.080 6.094 1.00 0.00 C ATOM 305 C ARG A 19 -2.741 0.000 4.932 1.00 0.00 C ATOM 306 O ARG A 19 -1.564 -0.303 5.122 1.00 0.00 O ATOM 307 CB ARG A 19 -4.263 -1.314 6.422 1.00 0.00 C ATOM 308 CG ARG A 19 -4.973 -1.391 7.764 1.00 0.00 C ATOM 309 CD ARG A 19 -4.028 -1.073 8.913 1.00 0.00 C ATOM 310 NE ARG A 19 -4.000 0.354 9.220 1.00 0.00 N ATOM 311 CZ ARG A 19 -3.035 0.937 9.923 1.00 0.00 C ATOM 312 NH1 ARG A 19 -2.025 0.216 10.391 1.00 0.00 N ATOM 313 NH2 ARG A 19 -3.080 2.241 10.161 1.00 0.00 N ATOM 0 H ARG A 19 -5.708 0.530 5.585 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.200 0.468 6.967 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -4.954 -1.622 5.637 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.437 -2.025 6.416 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.809 -0.692 7.775 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.390 -2.389 7.900 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.335 -1.628 9.799 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.023 -1.409 8.659 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.764 0.936 8.876 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.988 -0.787 10.211 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.285 0.665 10.931 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -3.856 2.798 9.804 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.338 2.687 10.701 1.00 0.00 H new ATOM 327 N LEU A 20 -3.230 0.285 3.730 1.00 0.00 N ATOM 328 CA LEU A 20 -2.388 0.256 2.543 1.00 0.00 C ATOM 329 C LEU A 20 -1.465 1.465 2.532 1.00 0.00 C ATOM 330 O LEU A 20 -0.293 1.359 2.171 1.00 0.00 O ATOM 331 CB LEU A 20 -3.244 0.233 1.273 1.00 0.00 C ATOM 332 CG LEU A 20 -3.504 -1.157 0.683 1.00 0.00 C ATOM 333 CD1 LEU A 20 -2.309 -1.619 -0.137 1.00 0.00 C ATOM 334 CD2 LEU A 20 -3.818 -2.164 1.781 1.00 0.00 C ATOM 0 H LEU A 20 -4.202 0.538 3.554 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.786 -0.652 2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.203 0.701 1.493 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.756 0.846 0.515 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.371 -1.090 0.026 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.511 -2.608 -0.549 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.133 -0.916 -0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.426 -1.665 0.500 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.999 -3.143 1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.974 -2.228 2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.706 -1.843 2.326 1.00 0.00 H new ATOM 346 N GLN A 21 -1.998 2.613 2.940 1.00 0.00 N ATOM 347 CA GLN A 21 -1.217 3.842 2.989 1.00 0.00 C ATOM 348 C GLN A 21 -0.065 3.699 3.978 1.00 0.00 C ATOM 349 O GLN A 21 1.088 3.992 3.654 1.00 0.00 O ATOM 350 CB GLN A 21 -2.103 5.023 3.384 1.00 0.00 C ATOM 351 CG GLN A 21 -2.928 5.578 2.233 1.00 0.00 C ATOM 352 CD GLN A 21 -2.966 7.093 2.221 1.00 0.00 C ATOM 353 OE1 GLN A 21 -3.880 7.707 2.770 1.00 0.00 O ATOM 354 NE2 GLN A 21 -1.969 7.704 1.591 1.00 0.00 N ATOM 0 H GLN A 21 -2.967 2.716 3.241 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.807 4.029 1.996 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.775 4.711 4.184 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -1.476 5.818 3.787 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -2.515 5.221 1.290 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.946 5.193 2.301 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -1.232 7.154 1.150 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.941 8.723 1.549 1.00 0.00 H new ATOM 363 N LYS A 22 -0.382 3.239 5.185 1.00 0.00 N ATOM 364 CA LYS A 22 0.630 3.050 6.216 1.00 0.00 C ATOM 365 C LYS A 22 1.639 1.992 5.784 1.00 0.00 C ATOM 366 O LYS A 22 2.807 2.035 6.171 1.00 0.00 O ATOM 367 CB LYS A 22 -0.023 2.641 7.538 1.00 0.00 C ATOM 368 CG LYS A 22 -0.066 3.760 8.566 1.00 0.00 C ATOM 369 CD LYS A 22 1.330 4.149 9.024 1.00 0.00 C ATOM 370 CE LYS A 22 1.835 5.380 8.287 1.00 0.00 C ATOM 371 NZ LYS A 22 2.487 6.349 9.210 1.00 0.00 N ATOM 0 H LYS A 22 -1.329 2.991 5.471 1.00 0.00 H new ATOM 0 HA LYS A 22 1.152 3.996 6.360 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.039 2.300 7.342 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.522 1.795 7.957 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.565 4.629 8.138 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.657 3.444 9.425 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.321 4.344 10.096 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.014 3.317 8.857 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.545 5.077 7.518 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.002 5.866 7.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.961 7.246 9.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.491 5.961 10.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.466 6.518 8.901 1.00 0.00 H new ATOM 385 N GLU A 23 1.177 1.046 4.973 1.00 0.00 N ATOM 386 CA GLU A 23 2.032 -0.026 4.481 1.00 0.00 C ATOM 387 C GLU A 23 3.067 0.515 3.500 1.00 0.00 C ATOM 388 O GLU A 23 4.208 0.051 3.469 1.00 0.00 O ATOM 389 CB GLU A 23 1.189 -1.111 3.807 1.00 0.00 C ATOM 390 CG GLU A 23 1.233 -2.449 4.527 1.00 0.00 C ATOM 391 CD GLU A 23 0.007 -2.687 5.387 1.00 0.00 C ATOM 392 OE1 GLU A 23 -0.033 -2.165 6.521 1.00 0.00 O ATOM 393 OE2 GLU A 23 -0.913 -3.396 4.927 1.00 0.00 O ATOM 0 H GLU A 23 0.213 1.001 4.643 1.00 0.00 H new ATOM 0 HA GLU A 23 2.556 -0.461 5.332 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.155 -0.772 3.749 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.537 -1.247 2.783 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.319 -3.250 3.793 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.125 -2.492 5.152 1.00 0.00 H new ATOM 400 N ILE A 24 2.666 1.500 2.701 1.00 0.00 N ATOM 401 CA ILE A 24 3.572 2.095 1.727 1.00 0.00 C ATOM 402 C ILE A 24 4.698 2.840 2.445 1.00 0.00 C ATOM 403 O ILE A 24 5.862 2.761 2.053 1.00 0.00 O ATOM 404 CB ILE A 24 2.829 3.034 0.719 1.00 0.00 C ATOM 405 CG1 ILE A 24 2.823 4.501 1.177 1.00 0.00 C ATOM 406 CG2 ILE A 24 1.401 2.560 0.492 1.00 0.00 C ATOM 407 CD1 ILE A 24 4.113 5.226 0.860 1.00 0.00 C ATOM 0 H ILE A 24 1.727 1.899 2.709 1.00 0.00 H new ATOM 0 HA ILE A 24 4.002 1.285 1.138 1.00 0.00 H new ATOM 0 HB ILE A 24 3.382 2.983 -0.219 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.993 5.022 0.699 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.646 4.539 2.252 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.904 3.227 -0.212 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.414 1.549 0.086 1.00 0.00 H new ATOM 0 HG23 ILE A 24 0.861 2.564 1.439 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.046 6.257 1.208 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.943 4.727 1.360 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.280 5.217 -0.217 1.00 0.00 H new ATOM 419 N GLU A 25 4.335 3.558 3.504 1.00 0.00 N ATOM 420 CA GLU A 25 5.306 4.310 4.287 1.00 0.00 C ATOM 421 C GLU A 25 6.375 3.378 4.844 1.00 0.00 C ATOM 422 O GLU A 25 7.565 3.685 4.800 1.00 0.00 O ATOM 423 CB GLU A 25 4.611 5.052 5.430 1.00 0.00 C ATOM 424 CG GLU A 25 5.349 6.302 5.881 1.00 0.00 C ATOM 425 CD GLU A 25 4.449 7.275 6.617 1.00 0.00 C ATOM 426 OE1 GLU A 25 3.356 7.583 6.098 1.00 0.00 O ATOM 427 OE2 GLU A 25 4.838 7.730 7.714 1.00 0.00 O ATOM 0 H GLU A 25 3.374 3.634 3.838 1.00 0.00 H new ATOM 0 HA GLU A 25 5.783 5.041 3.633 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.605 5.328 5.114 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.505 4.377 6.279 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.177 6.017 6.530 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.781 6.798 5.012 1.00 0.00 H new ATOM 434 N ARG A 26 5.940 2.232 5.361 1.00 0.00 N ATOM 435 CA ARG A 26 6.861 1.251 5.918 1.00 0.00 C ATOM 436 C ARG A 26 7.906 0.853 4.881 1.00 0.00 C ATOM 437 O ARG A 26 9.105 0.842 5.164 1.00 0.00 O ATOM 438 CB ARG A 26 6.098 0.012 6.393 1.00 0.00 C ATOM 439 CG ARG A 26 6.734 -0.673 7.592 1.00 0.00 C ATOM 440 CD ARG A 26 6.873 0.280 8.768 1.00 0.00 C ATOM 441 NE ARG A 26 5.635 1.009 9.030 1.00 0.00 N ATOM 442 CZ ARG A 26 4.573 0.469 9.620 1.00 0.00 C ATOM 443 NH1 ARG A 26 4.601 -0.799 10.007 1.00 0.00 N ATOM 444 NH2 ARG A 26 3.484 1.197 9.824 1.00 0.00 N ATOM 0 H ARG A 26 4.957 1.962 5.405 1.00 0.00 H new ATOM 0 HA ARG A 26 7.367 1.702 6.772 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.078 0.300 6.648 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.032 -0.701 5.571 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.128 -1.530 7.886 1.00 0.00 H new ATOM 0 HG3 ARG A 26 7.716 -1.057 7.315 1.00 0.00 H new ATOM 0 HD2 ARG A 26 7.159 -0.281 9.658 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.676 0.989 8.567 1.00 0.00 H new ATOM 0 HE ARG A 26 5.582 1.987 8.744 1.00 0.00 H new ATOM 0 HH11 ARG A 26 5.438 -1.361 9.852 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.786 -1.212 10.460 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.460 2.173 9.528 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.670 0.781 10.277 1.00 0.00 H new ATOM 458 N HIS A 27 7.442 0.537 3.676 1.00 0.00 N ATOM 459 CA HIS A 27 8.338 0.149 2.594 1.00 0.00 C ATOM 460 C HIS A 27 9.262 1.305 2.226 1.00 0.00 C ATOM 461 O HIS A 27 10.360 1.094 1.710 1.00 0.00 O ATOM 462 CB HIS A 27 7.534 -0.289 1.368 1.00 0.00 C ATOM 463 CG HIS A 27 7.540 -1.769 1.147 1.00 0.00 C ATOM 464 ND1 HIS A 27 8.696 -2.499 0.966 1.00 0.00 N ATOM 465 CD2 HIS A 27 6.521 -2.659 1.078 1.00 0.00 C ATOM 466 CE1 HIS A 27 8.388 -3.773 0.794 1.00 0.00 C ATOM 467 NE2 HIS A 27 7.076 -3.896 0.859 1.00 0.00 N ATOM 0 H HIS A 27 6.453 0.542 3.425 1.00 0.00 H new ATOM 0 HA HIS A 27 8.945 -0.690 2.935 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.504 0.049 1.479 1.00 0.00 H new ATOM 0 HB3 HIS A 27 7.938 0.204 0.484 1.00 0.00 H new ATOM 0 HD2 HIS A 27 5.469 -2.437 1.177 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.091 -4.576 0.628 1.00 0.00 H new ATOM 0 HE2 HIS A 27 6.557 -4.769 0.762 1.00 0.00 H new ATOM 476 N LYS A 28 8.811 2.526 2.498 1.00 0.00 N ATOM 477 CA LYS A 28 9.596 3.718 2.200 1.00 0.00 C ATOM 478 C LYS A 28 10.771 3.848 3.163 1.00 0.00 C ATOM 479 O LYS A 28 11.852 4.298 2.781 1.00 0.00 O ATOM 480 CB LYS A 28 8.715 4.966 2.283 1.00 0.00 C ATOM 481 CG LYS A 28 9.443 6.248 1.913 1.00 0.00 C ATOM 482 CD LYS A 28 10.127 6.869 3.120 1.00 0.00 C ATOM 483 CE LYS A 28 9.348 8.060 3.651 1.00 0.00 C ATOM 484 NZ LYS A 28 10.150 9.314 3.610 1.00 0.00 N ATOM 0 H LYS A 28 7.904 2.715 2.925 1.00 0.00 H new ATOM 0 HA LYS A 28 9.987 3.623 1.187 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.858 4.841 1.622 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.325 5.059 3.296 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.184 6.037 1.142 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.735 6.960 1.488 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.230 6.121 3.906 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.134 7.184 2.846 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.440 8.191 3.062 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.037 7.862 4.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.582 10.102 3.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.004 9.199 4.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.425 9.518 2.628 1.00 0.00 H new ATOM 498 N GLN A 29 10.552 3.451 4.412 1.00 0.00 N ATOM 499 CA GLN A 29 11.593 3.524 5.431 1.00 0.00 C ATOM 500 C GLN A 29 12.649 2.448 5.210 1.00 0.00 C ATOM 501 O GLN A 29 13.822 2.643 5.526 1.00 0.00 O ATOM 502 CB GLN A 29 10.982 3.376 6.826 1.00 0.00 C ATOM 503 CG GLN A 29 11.604 4.297 7.861 1.00 0.00 C ATOM 504 CD GLN A 29 10.738 5.503 8.165 1.00 0.00 C ATOM 505 OE1 GLN A 29 9.519 5.464 8.001 1.00 0.00 O ATOM 506 NE2 GLN A 29 11.365 6.586 8.612 1.00 0.00 N ATOM 0 H GLN A 29 9.663 3.075 4.743 1.00 0.00 H new ATOM 0 HA GLN A 29 12.073 4.499 5.353 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.912 3.577 6.769 1.00 0.00 H new ATOM 0 HB3 GLN A 29 11.095 2.343 7.156 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.778 3.739 8.781 1.00 0.00 H new ATOM 0 HG3 GLN A 29 12.577 4.634 7.504 1.00 0.00 H new ATOM 0 HE21 GLN A 29 12.378 6.575 8.734 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.834 7.428 8.834 1.00 0.00 H new ATOM 515 N SER A 30 12.226 1.311 4.668 1.00 0.00 N ATOM 516 CA SER A 30 13.140 0.205 4.405 1.00 0.00 C ATOM 517 C SER A 30 14.036 0.515 3.209 1.00 0.00 C ATOM 518 O SER A 30 15.210 0.151 3.189 1.00 0.00 O ATOM 519 CB SER A 30 12.355 -1.083 4.150 1.00 0.00 C ATOM 520 OG SER A 30 13.108 -2.223 4.530 1.00 0.00 O ATOM 0 H SER A 30 11.258 1.131 4.403 1.00 0.00 H new ATOM 0 HA SER A 30 13.771 0.069 5.284 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.419 -1.059 4.708 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.094 -1.151 3.094 1.00 0.00 H new ATOM 0 HG SER A 30 12.584 -3.033 4.359 1.00 0.00 H new ATOM 526 N ILE A 31 13.468 1.190 2.215 1.00 0.00 N ATOM 527 CA ILE A 31 14.205 1.553 1.010 1.00 0.00 C ATOM 528 C ILE A 31 15.231 2.646 1.300 1.00 0.00 C ATOM 529 O ILE A 31 16.318 2.660 0.720 1.00 0.00 O ATOM 530 CB ILE A 31 13.243 2.027 -0.098 1.00 0.00 C ATOM 531 CG1 ILE A 31 14.006 2.496 -1.338 1.00 0.00 C ATOM 532 CG2 ILE A 31 12.349 3.142 0.419 1.00 0.00 C ATOM 533 CD1 ILE A 31 14.764 1.394 -2.039 1.00 0.00 C ATOM 0 H ILE A 31 12.496 1.498 2.221 1.00 0.00 H new ATOM 0 HA ILE A 31 14.731 0.662 0.668 1.00 0.00 H new ATOM 0 HB ILE A 31 12.624 1.177 -0.386 1.00 0.00 H new ATOM 0 HG12 ILE A 31 13.301 2.943 -2.039 1.00 0.00 H new ATOM 0 HG13 ILE A 31 14.707 3.279 -1.048 1.00 0.00 H new ATOM 0 HG21 ILE A 31 11.676 3.466 -0.375 1.00 0.00 H new ATOM 0 HG22 ILE A 31 11.765 2.778 1.264 1.00 0.00 H new ATOM 0 HG23 ILE A 31 12.964 3.983 0.739 1.00 0.00 H new ATOM 0 HD11 ILE A 31 15.280 1.803 -2.908 1.00 0.00 H new ATOM 0 HD12 ILE A 31 15.494 0.962 -1.354 1.00 0.00 H new ATOM 0 HD13 ILE A 31 14.067 0.621 -2.361 1.00 0.00 H new ATOM 545 N LYS A 32 14.884 3.556 2.203 1.00 0.00 N ATOM 546 CA LYS A 32 15.781 4.647 2.569 1.00 0.00 C ATOM 547 C LYS A 32 16.888 4.150 3.490 1.00 0.00 C ATOM 548 O LYS A 32 18.021 4.627 3.432 1.00 0.00 O ATOM 549 CB LYS A 32 15.000 5.773 3.247 1.00 0.00 C ATOM 550 CG LYS A 32 14.336 6.729 2.270 1.00 0.00 C ATOM 551 CD LYS A 32 15.309 7.789 1.778 1.00 0.00 C ATOM 552 CE LYS A 32 14.722 8.594 0.631 1.00 0.00 C ATOM 553 NZ LYS A 32 14.466 10.008 1.017 1.00 0.00 N ATOM 0 H LYS A 32 13.990 3.561 2.694 1.00 0.00 H new ATOM 0 HA LYS A 32 16.237 5.033 1.657 1.00 0.00 H new ATOM 0 HB2 LYS A 32 14.236 5.337 3.891 1.00 0.00 H new ATOM 0 HB3 LYS A 32 15.676 6.336 3.890 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.946 6.169 1.420 1.00 0.00 H new ATOM 0 HG3 LYS A 32 13.485 7.210 2.752 1.00 0.00 H new ATOM 0 HD2 LYS A 32 15.566 8.458 2.599 1.00 0.00 H new ATOM 0 HD3 LYS A 32 16.234 7.313 1.454 1.00 0.00 H new ATOM 0 HE2 LYS A 32 15.406 8.568 -0.218 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.790 8.133 0.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.066 10.522 0.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.794 10.035 1.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 15.359 10.456 1.305 1.00 0.00 H new ATOM 567 N LYS A 33 16.554 3.182 4.338 1.00 0.00 N ATOM 568 CA LYS A 33 17.521 2.615 5.269 1.00 0.00 C ATOM 569 C LYS A 33 18.486 1.691 4.537 1.00 0.00 C ATOM 570 O LYS A 33 19.636 1.525 4.946 1.00 0.00 O ATOM 571 CB LYS A 33 16.804 1.848 6.381 1.00 0.00 C ATOM 572 CG LYS A 33 16.703 2.622 7.686 1.00 0.00 C ATOM 573 CD LYS A 33 15.732 1.961 8.652 1.00 0.00 C ATOM 574 CE LYS A 33 15.597 2.760 9.938 1.00 0.00 C ATOM 575 NZ LYS A 33 15.425 1.877 11.125 1.00 0.00 N ATOM 0 H LYS A 33 15.621 2.775 4.399 1.00 0.00 H new ATOM 0 HA LYS A 33 18.088 3.432 5.715 1.00 0.00 H new ATOM 0 HB2 LYS A 33 15.801 1.588 6.043 1.00 0.00 H new ATOM 0 HB3 LYS A 33 17.331 0.912 6.563 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.688 2.689 8.148 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.377 3.642 7.481 1.00 0.00 H new ATOM 0 HD2 LYS A 33 14.755 1.864 8.178 1.00 0.00 H new ATOM 0 HD3 LYS A 33 16.076 0.953 8.883 1.00 0.00 H new ATOM 0 HE2 LYS A 33 16.482 3.382 10.073 1.00 0.00 H new ATOM 0 HE3 LYS A 33 14.743 3.433 9.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 15.337 2.460 11.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 14.567 1.301 11.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 16.251 1.252 11.215 1.00 0.00 H new ATOM 589 N LEU A 34 18.011 1.095 3.449 1.00 0.00 N ATOM 590 CA LEU A 34 18.831 0.192 2.652 1.00 0.00 C ATOM 591 C LEU A 34 19.877 0.973 1.865 1.00 0.00 C ATOM 592 O LEU A 34 21.038 0.572 1.787 1.00 0.00 O ATOM 593 CB LEU A 34 17.954 -0.618 1.694 1.00 0.00 C ATOM 594 CG LEU A 34 18.233 -2.123 1.663 1.00 0.00 C ATOM 595 CD1 LEU A 34 19.729 -2.396 1.647 1.00 0.00 C ATOM 596 CD2 LEU A 34 17.577 -2.810 2.852 1.00 0.00 C ATOM 0 H LEU A 34 17.061 1.221 3.099 1.00 0.00 H new ATOM 0 HA LEU A 34 19.342 -0.493 3.328 1.00 0.00 H new ATOM 0 HB2 LEU A 34 16.910 -0.465 1.966 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.082 -0.221 0.687 1.00 0.00 H new ATOM 0 HG LEU A 34 17.804 -2.531 0.747 1.00 0.00 H new ATOM 0 HD11 LEU A 34 19.902 -3.472 1.625 1.00 0.00 H new ATOM 0 HD12 LEU A 34 20.173 -1.939 0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.186 -1.973 2.542 1.00 0.00 H new ATOM 0 HD21 LEU A 34 17.785 -3.879 2.815 1.00 0.00 H new ATOM 0 HD22 LEU A 34 17.976 -2.395 3.778 1.00 0.00 H new ATOM 0 HD23 LEU A 34 16.500 -2.649 2.816 1.00 0.00 H new ATOM 608 N LYS A 35 19.457 2.093 1.282 1.00 0.00 N ATOM 609 CA LYS A 35 20.361 2.930 0.503 1.00 0.00 C ATOM 610 C LYS A 35 21.431 3.549 1.397 1.00 0.00 C ATOM 611 O LYS A 35 22.590 3.672 0.999 1.00 0.00 O ATOM 612 CB LYS A 35 19.580 4.032 -0.216 1.00 0.00 C ATOM 613 CG LYS A 35 19.911 4.145 -1.695 1.00 0.00 C ATOM 614 CD LYS A 35 21.370 4.508 -1.914 1.00 0.00 C ATOM 615 CE LYS A 35 22.165 3.327 -2.447 1.00 0.00 C ATOM 616 NZ LYS A 35 23.629 3.506 -2.247 1.00 0.00 N ATOM 0 H LYS A 35 18.499 2.440 1.335 1.00 0.00 H new ATOM 0 HA LYS A 35 20.851 2.300 -0.240 1.00 0.00 H new ATOM 0 HB2 LYS A 35 18.513 3.841 -0.104 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.786 4.987 0.268 1.00 0.00 H new ATOM 0 HG2 LYS A 35 19.692 3.199 -2.191 1.00 0.00 H new ATOM 0 HG3 LYS A 35 19.274 4.901 -2.155 1.00 0.00 H new ATOM 0 HD2 LYS A 35 21.438 5.340 -2.616 1.00 0.00 H new ATOM 0 HD3 LYS A 35 21.806 4.847 -0.975 1.00 0.00 H new ATOM 0 HE2 LYS A 35 21.839 2.415 -1.947 1.00 0.00 H new ATOM 0 HE3 LYS A 35 21.957 3.199 -3.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 24.135 2.679 -2.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 23.945 4.362 -2.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 23.831 3.602 -1.231 1.00 0.00 H new ATOM 630 N GLN A 36 21.036 3.934 2.605 1.00 0.00 N ATOM 631 CA GLN A 36 21.964 4.537 3.555 1.00 0.00 C ATOM 632 C GLN A 36 22.900 3.485 4.142 1.00 0.00 C ATOM 633 O GLN A 36 24.007 3.798 4.577 1.00 0.00 O ATOM 634 CB GLN A 36 21.195 5.236 4.678 1.00 0.00 C ATOM 635 CG GLN A 36 22.053 6.172 5.512 1.00 0.00 C ATOM 636 CD GLN A 36 22.657 7.295 4.693 1.00 0.00 C ATOM 637 OE1 GLN A 36 22.139 7.656 3.636 1.00 0.00 O ATOM 638 NE2 GLN A 36 23.760 7.855 5.177 1.00 0.00 N ATOM 0 H GLN A 36 20.081 3.840 2.950 1.00 0.00 H new ATOM 0 HA GLN A 36 22.564 5.275 3.022 1.00 0.00 H new ATOM 0 HB2 GLN A 36 20.370 5.802 4.245 1.00 0.00 H new ATOM 0 HB3 GLN A 36 20.756 4.481 5.330 1.00 0.00 H new ATOM 0 HG2 GLN A 36 21.448 6.597 6.313 1.00 0.00 H new ATOM 0 HG3 GLN A 36 22.853 5.601 5.985 1.00 0.00 H new ATOM 0 HE21 GLN A 36 24.156 7.525 6.057 1.00 0.00 H new ATOM 0 HE22 GLN A 36 24.211 8.615 4.669 1.00 0.00 H new ATOM 647 N SER A 37 22.446 2.235 4.149 1.00 0.00 N ATOM 648 CA SER A 37 23.243 1.136 4.682 1.00 0.00 C ATOM 649 C SER A 37 24.339 0.734 3.701 1.00 0.00 C ATOM 650 O SER A 37 25.444 0.371 4.105 1.00 0.00 O ATOM 651 CB SER A 37 22.350 -0.067 4.989 1.00 0.00 C ATOM 652 OG SER A 37 23.093 -1.274 4.960 1.00 0.00 O ATOM 0 H SER A 37 21.531 1.959 3.792 1.00 0.00 H new ATOM 0 HA SER A 37 23.713 1.475 5.605 1.00 0.00 H new ATOM 0 HB2 SER A 37 21.891 0.058 5.970 1.00 0.00 H new ATOM 0 HB3 SER A 37 21.540 -0.117 4.262 1.00 0.00 H new ATOM 0 HG SER A 37 22.500 -2.028 5.160 1.00 0.00 H new ATOM 658 N GLU A 38 24.027 0.800 2.411 1.00 0.00 N ATOM 659 CA GLU A 38 24.989 0.443 1.375 1.00 0.00 C ATOM 660 C GLU A 38 26.121 1.462 1.311 1.00 0.00 C ATOM 661 O GLU A 38 27.230 1.147 0.880 1.00 0.00 O ATOM 662 CB GLU A 38 24.296 0.345 0.015 1.00 0.00 C ATOM 663 CG GLU A 38 24.648 -0.916 -0.759 1.00 0.00 C ATOM 664 CD GLU A 38 24.659 -0.695 -2.259 1.00 0.00 C ATOM 665 OE1 GLU A 38 23.569 -0.503 -2.839 1.00 0.00 O ATOM 666 OE2 GLU A 38 25.757 -0.714 -2.853 1.00 0.00 O ATOM 0 H GLU A 38 23.117 1.097 2.058 1.00 0.00 H new ATOM 0 HA GLU A 38 25.413 -0.529 1.628 1.00 0.00 H new ATOM 0 HB2 GLU A 38 23.217 0.381 0.163 1.00 0.00 H new ATOM 0 HB3 GLU A 38 24.564 1.215 -0.584 1.00 0.00 H new ATOM 0 HG2 GLU A 38 25.628 -1.272 -0.441 1.00 0.00 H new ATOM 0 HG3 GLU A 38 23.930 -1.699 -0.516 1.00 0.00 H new ATOM 673 N ASP A 39 25.833 2.686 1.742 1.00 0.00 N ATOM 674 CA ASP A 39 26.828 3.751 1.735 1.00 0.00 C ATOM 675 C ASP A 39 27.856 3.543 2.844 1.00 0.00 C ATOM 676 O ASP A 39 28.989 4.012 2.749 1.00 0.00 O ATOM 677 CB ASP A 39 26.150 5.112 1.902 1.00 0.00 C ATOM 678 CG ASP A 39 27.111 6.267 1.699 1.00 0.00 C ATOM 679 OD1 ASP A 39 28.183 6.266 2.339 1.00 0.00 O ATOM 680 OD2 ASP A 39 26.792 7.171 0.899 1.00 0.00 O ATOM 0 H ASP A 39 24.919 2.964 2.100 1.00 0.00 H new ATOM 0 HA ASP A 39 27.344 3.725 0.775 1.00 0.00 H new ATOM 0 HB2 ASP A 39 25.330 5.196 1.189 1.00 0.00 H new ATOM 0 HB3 ASP A 39 25.714 5.177 2.899 1.00 0.00 H new ATOM 685 N ASP A 40 27.449 2.838 3.896 1.00 0.00 N ATOM 686 CA ASP A 40 28.334 2.566 5.022 1.00 0.00 C ATOM 687 C ASP A 40 28.605 3.838 5.820 1.00 0.00 C ATOM 688 O ASP A 40 28.240 4.936 5.400 1.00 0.00 O ATOM 689 CB ASP A 40 29.654 1.970 4.530 1.00 0.00 C ATOM 690 CG ASP A 40 29.443 0.824 3.558 1.00 0.00 C ATOM 691 OD1 ASP A 40 28.915 -0.225 3.983 1.00 0.00 O ATOM 692 OD2 ASP A 40 29.806 0.977 2.373 1.00 0.00 O ATOM 0 H ASP A 40 26.512 2.445 3.991 1.00 0.00 H new ATOM 0 HA ASP A 40 27.839 1.846 5.674 1.00 0.00 H new ATOM 0 HB2 ASP A 40 30.244 2.749 4.047 1.00 0.00 H new ATOM 0 HB3 ASP A 40 30.231 1.617 5.384 1.00 0.00 H new ATOM 697 N ASP A 41 29.247 3.682 6.973 1.00 0.00 N ATOM 698 CA ASP A 41 29.567 4.818 7.830 1.00 0.00 C ATOM 699 C ASP A 41 31.048 5.169 7.738 1.00 0.00 C ATOM 700 O ASP A 41 31.365 6.372 7.635 1.00 0.00 O ATOM 701 CB ASP A 41 29.193 4.509 9.281 1.00 0.00 C ATOM 702 CG ASP A 41 27.867 3.782 9.395 1.00 0.00 C ATOM 703 OD1 ASP A 41 26.838 4.356 8.981 1.00 0.00 O ATOM 704 OD2 ASP A 41 27.859 2.639 9.898 1.00 0.00 O ATOM 705 OXT ASP A 41 31.879 4.236 7.771 1.00 0.00 O ATOM 0 H ASP A 41 29.556 2.780 7.336 1.00 0.00 H new ATOM 0 HA ASP A 41 28.988 5.675 7.487 1.00 0.00 H new ATOM 0 HB2 ASP A 41 29.977 3.902 9.734 1.00 0.00 H new ATOM 0 HB3 ASP A 41 29.144 5.440 9.847 1.00 0.00 H new TER 710 ASP A 41 ATOM 711 N ALA B 1 30.584 -14.961 -2.719 1.00 0.00 N ATOM 712 CA ALA B 1 31.683 -14.175 -2.101 1.00 0.00 C ATOM 713 C ALA B 1 31.252 -12.735 -1.849 1.00 0.00 C ATOM 714 O ALA B 1 30.932 -12.361 -0.721 1.00 0.00 O ATOM 715 CB ALA B 1 32.917 -14.208 -2.991 1.00 0.00 C ATOM 0 H1 ALA B 1 30.904 -15.937 -2.880 1.00 0.00 H new ATOM 0 H2 ALA B 1 29.761 -14.966 -2.083 1.00 0.00 H new ATOM 0 H3 ALA B 1 30.317 -14.530 -3.627 1.00 0.00 H new ATOM 0 HA ALA B 1 31.926 -14.628 -1.140 1.00 0.00 H new ATOM 0 HB1 ALA B 1 33.715 -13.629 -2.528 1.00 0.00 H new ATOM 0 HB2 ALA B 1 33.245 -15.239 -3.120 1.00 0.00 H new ATOM 0 HB3 ALA B 1 32.676 -13.780 -3.964 1.00 0.00 H new ATOM 723 N LEU B 2 31.246 -11.931 -2.906 1.00 0.00 N ATOM 724 CA LEU B 2 30.853 -10.529 -2.800 1.00 0.00 C ATOM 725 C LEU B 2 29.448 -10.402 -2.222 1.00 0.00 C ATOM 726 O LEU B 2 28.763 -11.401 -2.003 1.00 0.00 O ATOM 727 CB LEU B 2 30.919 -9.853 -4.171 1.00 0.00 C ATOM 728 CG LEU B 2 32.330 -9.631 -4.717 1.00 0.00 C ATOM 729 CD1 LEU B 2 33.235 -9.054 -3.640 1.00 0.00 C ATOM 730 CD2 LEU B 2 32.901 -10.934 -5.256 1.00 0.00 C ATOM 0 H LEU B 2 31.509 -12.225 -3.847 1.00 0.00 H new ATOM 0 HA LEU B 2 31.550 -10.031 -2.126 1.00 0.00 H new ATOM 0 HB2 LEU B 2 30.361 -10.459 -4.885 1.00 0.00 H new ATOM 0 HB3 LEU B 2 30.414 -8.889 -4.108 1.00 0.00 H new ATOM 0 HG LEU B 2 32.275 -8.914 -5.536 1.00 0.00 H new ATOM 0 HD11 LEU B 2 34.235 -8.903 -4.047 1.00 0.00 H new ATOM 0 HD12 LEU B 2 32.833 -8.099 -3.300 1.00 0.00 H new ATOM 0 HD13 LEU B 2 33.287 -9.746 -2.799 1.00 0.00 H new ATOM 0 HD21 LEU B 2 33.906 -10.759 -5.641 1.00 0.00 H new ATOM 0 HD22 LEU B 2 32.943 -11.672 -4.455 1.00 0.00 H new ATOM 0 HD23 LEU B 2 32.264 -11.306 -6.059 1.00 0.00 H new ATOM 742 N LYS B 3 29.024 -9.167 -1.978 1.00 0.00 N ATOM 743 CA LYS B 3 27.698 -8.910 -1.426 1.00 0.00 C ATOM 744 C LYS B 3 26.653 -8.830 -2.535 1.00 0.00 C ATOM 745 O LYS B 3 25.973 -9.812 -2.831 1.00 0.00 O ATOM 746 CB LYS B 3 27.703 -7.611 -0.616 1.00 0.00 C ATOM 747 CG LYS B 3 28.295 -7.764 0.775 1.00 0.00 C ATOM 748 CD LYS B 3 29.597 -6.993 0.914 1.00 0.00 C ATOM 749 CE LYS B 3 30.324 -7.353 2.200 1.00 0.00 C ATOM 750 NZ LYS B 3 30.486 -8.825 2.354 1.00 0.00 N ATOM 0 H LYS B 3 29.578 -8.329 -2.153 1.00 0.00 H new ATOM 0 HA LYS B 3 27.438 -9.739 -0.767 1.00 0.00 H new ATOM 0 HB2 LYS B 3 28.268 -6.855 -1.161 1.00 0.00 H new ATOM 0 HB3 LYS B 3 26.681 -7.243 -0.528 1.00 0.00 H new ATOM 0 HG2 LYS B 3 27.580 -7.409 1.517 1.00 0.00 H new ATOM 0 HG3 LYS B 3 28.472 -8.819 0.982 1.00 0.00 H new ATOM 0 HD2 LYS B 3 30.240 -7.206 0.060 1.00 0.00 H new ATOM 0 HD3 LYS B 3 29.391 -5.923 0.899 1.00 0.00 H new ATOM 0 HE2 LYS B 3 31.305 -6.877 2.208 1.00 0.00 H new ATOM 0 HE3 LYS B 3 29.771 -6.958 3.052 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 31.274 -9.021 3.004 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 29.610 -9.232 2.739 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 30.688 -9.251 1.427 1.00 0.00 H new ATOM 764 N LYS B 4 26.529 -7.654 -3.143 1.00 0.00 N ATOM 765 CA LYS B 4 25.566 -7.448 -4.219 1.00 0.00 C ATOM 766 C LYS B 4 24.180 -7.941 -3.815 1.00 0.00 C ATOM 767 O LYS B 4 23.361 -8.287 -4.666 1.00 0.00 O ATOM 768 CB LYS B 4 26.025 -8.167 -5.489 1.00 0.00 C ATOM 769 CG LYS B 4 27.528 -8.110 -5.710 1.00 0.00 C ATOM 770 CD LYS B 4 27.956 -6.768 -6.281 1.00 0.00 C ATOM 771 CE LYS B 4 28.589 -6.924 -7.655 1.00 0.00 C ATOM 772 NZ LYS B 4 29.650 -7.968 -7.663 1.00 0.00 N ATOM 0 H LYS B 4 27.083 -6.830 -2.909 1.00 0.00 H new ATOM 0 HA LYS B 4 25.507 -6.378 -4.416 1.00 0.00 H new ATOM 0 HB2 LYS B 4 25.713 -9.210 -5.439 1.00 0.00 H new ATOM 0 HB3 LYS B 4 25.522 -7.724 -6.349 1.00 0.00 H new ATOM 0 HG2 LYS B 4 28.043 -8.286 -4.765 1.00 0.00 H new ATOM 0 HG3 LYS B 4 27.828 -8.908 -6.389 1.00 0.00 H new ATOM 0 HD2 LYS B 4 27.091 -6.108 -6.350 1.00 0.00 H new ATOM 0 HD3 LYS B 4 28.666 -6.293 -5.604 1.00 0.00 H new ATOM 0 HE2 LYS B 4 27.819 -7.183 -8.382 1.00 0.00 H new ATOM 0 HE3 LYS B 4 29.015 -5.971 -7.968 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 30.427 -7.669 -8.286 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 30.013 -8.102 -6.698 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 29.253 -8.864 -8.011 1.00 0.00 H new ATOM 786 N HIS B 5 23.923 -7.965 -2.511 1.00 0.00 N ATOM 787 CA HIS B 5 22.636 -8.410 -1.995 1.00 0.00 C ATOM 788 C HIS B 5 21.797 -7.218 -1.548 1.00 0.00 C ATOM 789 O HIS B 5 20.568 -7.251 -1.612 1.00 0.00 O ATOM 790 CB HIS B 5 22.835 -9.377 -0.825 1.00 0.00 C ATOM 791 CG HIS B 5 23.881 -8.931 0.149 1.00 0.00 C ATOM 792 ND1 HIS B 5 23.982 -7.795 0.882 1.00 0.00 N flip ATOM 793 CD2 HIS B 5 24.989 -9.689 0.465 1.00 0.00 C flip ATOM 794 CE1 HIS B 5 25.138 -7.889 1.617 1.00 0.00 C flip ATOM 795 NE2 HIS B 5 25.726 -9.039 1.349 1.00 0.00 N flip ATOM 0 H HIS B 5 24.590 -7.681 -1.793 1.00 0.00 H new ATOM 0 HA HIS B 5 22.108 -8.929 -2.795 1.00 0.00 H new ATOM 0 HB2 HIS B 5 21.888 -9.497 -0.299 1.00 0.00 H new ATOM 0 HB3 HIS B 5 23.109 -10.357 -1.217 1.00 0.00 H new ATOM 0 HD1 HIS B 5 23.323 -7.017 0.887 1.00 0.00 H new ATOM 0 HD2 HIS B 5 25.218 -10.661 0.055 1.00 0.00 H new ATOM 0 HE1 HIS B 5 25.507 -7.142 2.304 1.00 0.00 H new ATOM 804 N HIS B 6 22.473 -6.165 -1.099 1.00 0.00 N ATOM 805 CA HIS B 6 21.793 -4.959 -0.644 1.00 0.00 C ATOM 806 C HIS B 6 21.246 -4.169 -1.828 1.00 0.00 C ATOM 807 O HIS B 6 20.159 -3.598 -1.754 1.00 0.00 O ATOM 808 CB HIS B 6 22.747 -4.087 0.171 1.00 0.00 C ATOM 809 CG HIS B 6 22.795 -4.447 1.623 1.00 0.00 C ATOM 810 ND1 HIS B 6 22.081 -5.497 2.163 1.00 0.00 N ATOM 811 CD2 HIS B 6 23.479 -3.893 2.653 1.00 0.00 C ATOM 812 CE1 HIS B 6 22.321 -5.571 3.460 1.00 0.00 C ATOM 813 NE2 HIS B 6 23.167 -4.610 3.781 1.00 0.00 N ATOM 0 H HIS B 6 23.490 -6.123 -1.041 1.00 0.00 H new ATOM 0 HA HIS B 6 20.958 -5.257 -0.010 1.00 0.00 H new ATOM 0 HB2 HIS B 6 23.750 -4.170 -0.249 1.00 0.00 H new ATOM 0 HB3 HIS B 6 22.446 -3.044 0.074 1.00 0.00 H new ATOM 0 HD2 HIS B 6 24.146 -3.045 2.597 1.00 0.00 H new ATOM 0 HE1 HIS B 6 21.897 -6.294 4.141 1.00 0.00 H new ATOM 0 HE2 HIS B 6 23.530 -4.429 4.717 1.00 0.00 H new ATOM 822 N GLU B 7 22.004 -4.145 -2.920 1.00 0.00 N ATOM 823 CA GLU B 7 21.589 -3.428 -4.119 1.00 0.00 C ATOM 824 C GLU B 7 20.303 -4.023 -4.680 1.00 0.00 C ATOM 825 O GLU B 7 19.464 -3.311 -5.232 1.00 0.00 O ATOM 826 CB GLU B 7 22.692 -3.473 -5.177 1.00 0.00 C ATOM 827 CG GLU B 7 22.275 -2.888 -6.516 1.00 0.00 C ATOM 828 CD GLU B 7 21.839 -3.950 -7.506 1.00 0.00 C ATOM 829 OE1 GLU B 7 22.720 -4.585 -8.122 1.00 0.00 O ATOM 830 OE2 GLU B 7 20.616 -4.147 -7.666 1.00 0.00 O ATOM 0 H GLU B 7 22.907 -4.613 -2.999 1.00 0.00 H new ATOM 0 HA GLU B 7 21.404 -2.388 -3.848 1.00 0.00 H new ATOM 0 HB2 GLU B 7 23.561 -2.929 -4.807 1.00 0.00 H new ATOM 0 HB3 GLU B 7 23.002 -4.508 -5.323 1.00 0.00 H new ATOM 0 HG2 GLU B 7 21.458 -2.183 -6.362 1.00 0.00 H new ATOM 0 HG3 GLU B 7 23.107 -2.324 -6.937 1.00 0.00 H new ATOM 837 N ASN B 8 20.150 -5.334 -4.524 1.00 0.00 N ATOM 838 CA ASN B 8 18.961 -6.022 -5.006 1.00 0.00 C ATOM 839 C ASN B 8 17.755 -5.636 -4.161 1.00 0.00 C ATOM 840 O ASN B 8 16.757 -5.132 -4.677 1.00 0.00 O ATOM 841 CB ASN B 8 19.166 -7.539 -4.968 1.00 0.00 C ATOM 842 CG ASN B 8 20.069 -8.027 -6.083 1.00 0.00 C ATOM 843 OD1 ASN B 8 20.604 -7.233 -6.858 1.00 0.00 O ATOM 844 ND2 ASN B 8 20.243 -9.341 -6.171 1.00 0.00 N ATOM 0 H ASN B 8 20.834 -5.939 -4.069 1.00 0.00 H new ATOM 0 HA ASN B 8 18.781 -5.722 -6.038 1.00 0.00 H new ATOM 0 HB2 ASN B 8 19.595 -7.821 -4.007 1.00 0.00 H new ATOM 0 HB3 ASN B 8 18.199 -8.036 -5.043 1.00 0.00 H new ATOM 0 HD21 ASN B 8 20.839 -9.729 -6.902 1.00 0.00 H new ATOM 0 HD22 ASN B 8 19.780 -9.962 -5.507 1.00 0.00 H new ATOM 851 N GLU B 9 17.862 -5.857 -2.855 1.00 0.00 N ATOM 852 CA GLU B 9 16.786 -5.509 -1.939 1.00 0.00 C ATOM 853 C GLU B 9 16.469 -4.018 -2.036 1.00 0.00 C ATOM 854 O GLU B 9 15.387 -3.579 -1.649 1.00 0.00 O ATOM 855 CB GLU B 9 17.170 -5.872 -0.503 1.00 0.00 C ATOM 856 CG GLU B 9 16.270 -6.927 0.119 1.00 0.00 C ATOM 857 CD GLU B 9 16.427 -8.286 -0.536 1.00 0.00 C ATOM 858 OE1 GLU B 9 15.712 -8.555 -1.524 1.00 0.00 O ATOM 859 OE2 GLU B 9 17.263 -9.082 -0.060 1.00 0.00 O ATOM 0 H GLU B 9 18.680 -6.274 -2.410 1.00 0.00 H new ATOM 0 HA GLU B 9 15.898 -6.076 -2.218 1.00 0.00 H new ATOM 0 HB2 GLU B 9 18.199 -6.231 -0.491 1.00 0.00 H new ATOM 0 HB3 GLU B 9 17.139 -4.972 0.111 1.00 0.00 H new ATOM 0 HG2 GLU B 9 16.496 -7.012 1.182 1.00 0.00 H new ATOM 0 HG3 GLU B 9 15.231 -6.607 0.039 1.00 0.00 H new ATOM 866 N ILE B 10 17.423 -3.245 -2.556 1.00 0.00 N ATOM 867 CA ILE B 10 17.251 -1.808 -2.707 1.00 0.00 C ATOM 868 C ILE B 10 16.242 -1.499 -3.819 1.00 0.00 C ATOM 869 O ILE B 10 15.287 -0.749 -3.616 1.00 0.00 O ATOM 870 CB ILE B 10 18.634 -1.119 -2.963 1.00 0.00 C ATOM 871 CG1 ILE B 10 18.892 -0.046 -1.906 1.00 0.00 C ATOM 872 CG2 ILE B 10 18.773 -0.522 -4.366 1.00 0.00 C ATOM 873 CD1 ILE B 10 20.137 -0.303 -1.088 1.00 0.00 C ATOM 0 H ILE B 10 18.324 -3.596 -2.879 1.00 0.00 H new ATOM 0 HA ILE B 10 16.846 -1.400 -1.781 1.00 0.00 H new ATOM 0 HB ILE B 10 19.385 -1.905 -2.889 1.00 0.00 H new ATOM 0 HG12 ILE B 10 18.981 0.924 -2.396 1.00 0.00 H new ATOM 0 HG13 ILE B 10 18.032 0.012 -1.239 1.00 0.00 H new ATOM 0 HG21 ILE B 10 19.756 -0.062 -4.470 1.00 0.00 H new ATOM 0 HG22 ILE B 10 18.661 -1.311 -5.110 1.00 0.00 H new ATOM 0 HG23 ILE B 10 18.001 0.233 -4.518 1.00 0.00 H new ATOM 0 HD11 ILE B 10 20.263 0.495 -0.356 1.00 0.00 H new ATOM 0 HD12 ILE B 10 20.042 -1.258 -0.571 1.00 0.00 H new ATOM 0 HD13 ILE B 10 21.005 -0.332 -1.746 1.00 0.00 H new ATOM 885 N SER B 11 16.469 -2.083 -4.992 1.00 0.00 N ATOM 886 CA SER B 11 15.589 -1.870 -6.133 1.00 0.00 C ATOM 887 C SER B 11 14.199 -2.432 -5.863 1.00 0.00 C ATOM 888 O SER B 11 13.214 -1.991 -6.458 1.00 0.00 O ATOM 889 CB SER B 11 16.181 -2.520 -7.386 1.00 0.00 C ATOM 890 OG SER B 11 15.912 -3.911 -7.415 1.00 0.00 O ATOM 0 H SER B 11 17.255 -2.707 -5.176 1.00 0.00 H new ATOM 0 HA SER B 11 15.499 -0.796 -6.295 1.00 0.00 H new ATOM 0 HB2 SER B 11 15.765 -2.047 -8.276 1.00 0.00 H new ATOM 0 HB3 SER B 11 17.258 -2.354 -7.411 1.00 0.00 H new ATOM 0 HG SER B 11 16.188 -4.315 -6.566 1.00 0.00 H new ATOM 896 N HIS B 12 14.122 -3.409 -4.965 1.00 0.00 N ATOM 897 CA HIS B 12 12.850 -4.027 -4.626 1.00 0.00 C ATOM 898 C HIS B 12 12.039 -3.114 -3.701 1.00 0.00 C ATOM 899 O HIS B 12 10.833 -2.949 -3.887 1.00 0.00 O ATOM 900 CB HIS B 12 13.097 -5.430 -4.023 1.00 0.00 C ATOM 901 CG HIS B 12 12.411 -5.720 -2.718 1.00 0.00 C ATOM 902 ND1 HIS B 12 12.914 -5.863 -1.471 1.00 0.00 N flip ATOM 903 CD2 HIS B 12 11.048 -5.901 -2.604 1.00 0.00 C flip ATOM 904 CE1 HIS B 12 11.857 -6.124 -0.634 1.00 0.00 C flip ATOM 905 NE2 HIS B 12 10.742 -6.142 -1.342 1.00 0.00 N flip ATOM 0 H HIS B 12 14.924 -3.787 -4.461 1.00 0.00 H new ATOM 0 HA HIS B 12 12.252 -4.162 -5.527 1.00 0.00 H new ATOM 0 HB2 HIS B 12 12.779 -6.177 -4.751 1.00 0.00 H new ATOM 0 HB3 HIS B 12 14.170 -5.559 -3.882 1.00 0.00 H new ATOM 0 HD2 HIS B 12 10.342 -5.853 -3.419 1.00 0.00 H new ATOM 0 HE1 HIS B 12 11.926 -6.288 0.431 1.00 0.00 H new ATOM 0 HE2 HIS B 12 9.805 -6.313 -0.977 1.00 0.00 H new ATOM 914 N HIS B 13 12.703 -2.510 -2.717 1.00 0.00 N ATOM 915 CA HIS B 13 12.018 -1.608 -1.799 1.00 0.00 C ATOM 916 C HIS B 13 11.554 -0.361 -2.538 1.00 0.00 C ATOM 917 O HIS B 13 10.599 0.292 -2.126 1.00 0.00 O ATOM 918 CB HIS B 13 12.921 -1.193 -0.641 1.00 0.00 C ATOM 919 CG HIS B 13 13.627 -2.319 0.034 1.00 0.00 C ATOM 920 ND1 HIS B 13 13.111 -3.593 0.138 1.00 0.00 N ATOM 921 CD2 HIS B 13 14.825 -2.346 0.656 1.00 0.00 C ATOM 922 CE1 HIS B 13 13.964 -4.357 0.797 1.00 0.00 C ATOM 923 NE2 HIS B 13 15.013 -3.623 1.122 1.00 0.00 N ATOM 0 H HIS B 13 13.700 -2.627 -2.538 1.00 0.00 H new ATOM 0 HA HIS B 13 11.159 -2.144 -1.395 1.00 0.00 H new ATOM 0 HB2 HIS B 13 13.664 -0.487 -1.013 1.00 0.00 H new ATOM 0 HB3 HIS B 13 12.320 -0.664 0.098 1.00 0.00 H new ATOM 0 HD2 HIS B 13 15.508 -1.517 0.766 1.00 0.00 H new ATOM 0 HE1 HIS B 13 13.827 -5.403 1.030 1.00 0.00 H new ATOM 0 HE2 HIS B 13 15.830 -3.952 1.636 1.00 0.00 H new ATOM 932 N ALA B 14 12.241 -0.034 -3.630 1.00 0.00 N ATOM 933 CA ALA B 14 11.896 1.135 -4.424 1.00 0.00 C ATOM 934 C ALA B 14 10.581 0.903 -5.148 1.00 0.00 C ATOM 935 O ALA B 14 9.633 1.674 -4.999 1.00 0.00 O ATOM 936 CB ALA B 14 13.005 1.454 -5.415 1.00 0.00 C ATOM 0 H ALA B 14 13.038 -0.564 -3.982 1.00 0.00 H new ATOM 0 HA ALA B 14 11.781 1.990 -3.757 1.00 0.00 H new ATOM 0 HB1 ALA B 14 12.729 2.331 -6.000 1.00 0.00 H new ATOM 0 HB2 ALA B 14 13.930 1.655 -4.874 1.00 0.00 H new ATOM 0 HB3 ALA B 14 13.152 0.605 -6.082 1.00 0.00 H new ATOM 942 N LYS B 15 10.521 -0.180 -5.913 1.00 0.00 N ATOM 943 CA LYS B 15 9.309 -0.527 -6.633 1.00 0.00 C ATOM 944 C LYS B 15 8.213 -0.947 -5.654 1.00 0.00 C ATOM 945 O LYS B 15 7.045 -1.058 -6.028 1.00 0.00 O ATOM 946 CB LYS B 15 9.582 -1.655 -7.630 1.00 0.00 C ATOM 947 CG LYS B 15 10.015 -1.163 -9.001 1.00 0.00 C ATOM 948 CD LYS B 15 8.851 -0.561 -9.771 1.00 0.00 C ATOM 949 CE LYS B 15 9.046 0.928 -10.003 1.00 0.00 C ATOM 950 NZ LYS B 15 9.507 1.219 -11.388 1.00 0.00 N ATOM 0 H LYS B 15 11.296 -0.829 -6.049 1.00 0.00 H new ATOM 0 HA LYS B 15 8.972 0.351 -7.184 1.00 0.00 H new ATOM 0 HB2 LYS B 15 10.357 -2.307 -7.226 1.00 0.00 H new ATOM 0 HB3 LYS B 15 8.681 -2.259 -7.738 1.00 0.00 H new ATOM 0 HG2 LYS B 15 10.803 -0.418 -8.889 1.00 0.00 H new ATOM 0 HG3 LYS B 15 10.438 -1.991 -9.569 1.00 0.00 H new ATOM 0 HD2 LYS B 15 8.746 -1.069 -10.730 1.00 0.00 H new ATOM 0 HD3 LYS B 15 7.925 -0.726 -9.220 1.00 0.00 H new ATOM 0 HE2 LYS B 15 8.108 1.450 -9.816 1.00 0.00 H new ATOM 0 HE3 LYS B 15 9.774 1.314 -9.290 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 9.628 2.245 -11.505 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 10.415 0.742 -11.559 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 8.801 0.874 -12.069 1.00 0.00 H new ATOM 964 N GLU B 16 8.597 -1.181 -4.396 1.00 0.00 N ATOM 965 CA GLU B 16 7.646 -1.588 -3.372 1.00 0.00 C ATOM 966 C GLU B 16 6.935 -0.382 -2.772 1.00 0.00 C ATOM 967 O GLU B 16 5.741 -0.444 -2.492 1.00 0.00 O ATOM 968 CB GLU B 16 8.357 -2.378 -2.271 1.00 0.00 C ATOM 969 CG GLU B 16 8.066 -3.869 -2.307 1.00 0.00 C ATOM 970 CD GLU B 16 8.161 -4.448 -3.705 1.00 0.00 C ATOM 971 OE1 GLU B 16 8.653 -3.739 -4.609 1.00 0.00 O ATOM 972 OE2 GLU B 16 7.747 -5.610 -3.897 1.00 0.00 O ATOM 0 H GLU B 16 9.559 -1.094 -4.068 1.00 0.00 H new ATOM 0 HA GLU B 16 6.898 -2.226 -3.843 1.00 0.00 H new ATOM 0 HB2 GLU B 16 9.432 -2.224 -2.361 1.00 0.00 H new ATOM 0 HB3 GLU B 16 8.059 -1.981 -1.300 1.00 0.00 H new ATOM 0 HG2 GLU B 16 8.768 -4.388 -1.654 1.00 0.00 H new ATOM 0 HG3 GLU B 16 7.067 -4.050 -1.910 1.00 0.00 H new ATOM 979 N ILE B 17 7.662 0.718 -2.578 1.00 0.00 N ATOM 980 CA ILE B 17 7.062 1.924 -2.017 1.00 0.00 C ATOM 981 C ILE B 17 6.190 2.618 -3.061 1.00 0.00 C ATOM 982 O ILE B 17 5.155 3.199 -2.735 1.00 0.00 O ATOM 983 CB ILE B 17 8.138 2.902 -1.490 1.00 0.00 C ATOM 984 CG1 ILE B 17 7.501 4.224 -1.044 1.00 0.00 C ATOM 985 CG2 ILE B 17 9.202 3.147 -2.549 1.00 0.00 C ATOM 986 CD1 ILE B 17 8.509 5.298 -0.696 1.00 0.00 C ATOM 0 H ILE B 17 8.655 0.798 -2.798 1.00 0.00 H new ATOM 0 HA ILE B 17 6.441 1.622 -1.174 1.00 0.00 H new ATOM 0 HB ILE B 17 8.617 2.448 -0.622 1.00 0.00 H new ATOM 0 HG12 ILE B 17 6.852 4.591 -1.839 1.00 0.00 H new ATOM 0 HG13 ILE B 17 6.868 4.038 -0.177 1.00 0.00 H new ATOM 0 HG21 ILE B 17 9.950 3.837 -2.160 1.00 0.00 H new ATOM 0 HG22 ILE B 17 9.680 2.203 -2.810 1.00 0.00 H new ATOM 0 HG23 ILE B 17 8.739 3.577 -3.437 1.00 0.00 H new ATOM 0 HD11 ILE B 17 7.985 6.203 -0.390 1.00 0.00 H new ATOM 0 HD12 ILE B 17 9.142 4.952 0.121 1.00 0.00 H new ATOM 0 HD13 ILE B 17 9.127 5.514 -1.568 1.00 0.00 H new ATOM 998 N GLU B 18 6.610 2.538 -4.320 1.00 0.00 N ATOM 999 CA GLU B 18 5.861 3.149 -5.410 1.00 0.00 C ATOM 1000 C GLU B 18 4.638 2.308 -5.760 1.00 0.00 C ATOM 1001 O GLU B 18 3.554 2.840 -5.999 1.00 0.00 O ATOM 1002 CB GLU B 18 6.753 3.314 -6.642 1.00 0.00 C ATOM 1003 CG GLU B 18 7.033 4.764 -7.001 1.00 0.00 C ATOM 1004 CD GLU B 18 8.113 4.906 -8.056 1.00 0.00 C ATOM 1005 OE1 GLU B 18 8.742 3.885 -8.402 1.00 0.00 O ATOM 1006 OE2 GLU B 18 8.328 6.039 -8.536 1.00 0.00 O ATOM 0 H GLU B 18 7.462 2.058 -4.609 1.00 0.00 H new ATOM 0 HA GLU B 18 5.524 4.133 -5.083 1.00 0.00 H new ATOM 0 HB2 GLU B 18 7.699 2.803 -6.466 1.00 0.00 H new ATOM 0 HB3 GLU B 18 6.279 2.823 -7.492 1.00 0.00 H new ATOM 0 HG2 GLU B 18 6.115 5.229 -7.361 1.00 0.00 H new ATOM 0 HG3 GLU B 18 7.334 5.305 -6.104 1.00 0.00 H new ATOM 1013 N ARG B 19 4.818 0.990 -5.781 1.00 0.00 N ATOM 1014 CA ARG B 19 3.723 0.081 -6.095 1.00 0.00 C ATOM 1015 C ARG B 19 2.742 0.002 -4.933 1.00 0.00 C ATOM 1016 O ARG B 19 1.564 -0.300 -5.123 1.00 0.00 O ATOM 1017 CB ARG B 19 4.262 -1.312 -6.423 1.00 0.00 C ATOM 1018 CG ARG B 19 4.971 -1.389 -7.766 1.00 0.00 C ATOM 1019 CD ARG B 19 4.027 -1.072 -8.914 1.00 0.00 C ATOM 1020 NE ARG B 19 3.997 0.355 -9.221 1.00 0.00 N ATOM 1021 CZ ARG B 19 3.033 0.937 -9.925 1.00 0.00 C ATOM 1022 NH1 ARG B 19 2.022 0.216 -10.391 1.00 0.00 N ATOM 1023 NH2 ARG B 19 3.077 2.241 -10.162 1.00 0.00 N ATOM 0 H ARG B 19 5.707 0.531 -5.585 1.00 0.00 H new ATOM 0 HA ARG B 19 3.198 0.468 -6.968 1.00 0.00 H new ATOM 0 HB2 ARG B 19 4.953 -1.619 -5.638 1.00 0.00 H new ATOM 0 HB3 ARG B 19 3.436 -2.023 -6.416 1.00 0.00 H new ATOM 0 HG2 ARG B 19 5.807 -0.690 -7.778 1.00 0.00 H new ATOM 0 HG3 ARG B 19 5.388 -2.387 -7.902 1.00 0.00 H new ATOM 0 HD2 ARG B 19 4.335 -1.627 -9.800 1.00 0.00 H new ATOM 0 HD3 ARG B 19 3.022 -1.409 -8.660 1.00 0.00 H new ATOM 0 HE ARG B 19 4.759 0.938 -8.875 1.00 0.00 H new ATOM 0 HH11 ARG B 19 1.984 -0.787 -10.209 1.00 0.00 H new ATOM 0 HH12 ARG B 19 1.282 0.664 -10.932 1.00 0.00 H new ATOM 0 HH21 ARG B 19 3.852 2.799 -9.803 1.00 0.00 H new ATOM 0 HH22 ARG B 19 2.336 2.686 -10.703 1.00 0.00 H new ATOM 1037 N LEU B 20 3.231 0.285 -3.731 1.00 0.00 N ATOM 1038 CA LEU B 20 2.391 0.257 -2.543 1.00 0.00 C ATOM 1039 C LEU B 20 1.467 1.466 -2.532 1.00 0.00 C ATOM 1040 O LEU B 20 0.295 1.359 -2.173 1.00 0.00 O ATOM 1041 CB LEU B 20 3.245 0.233 -1.274 1.00 0.00 C ATOM 1042 CG LEU B 20 3.507 -1.155 -0.684 1.00 0.00 C ATOM 1043 CD1 LEU B 20 2.312 -1.618 0.135 1.00 0.00 C ATOM 1044 CD2 LEU B 20 3.821 -2.162 -1.782 1.00 0.00 C ATOM 0 H LEU B 20 4.204 0.536 -3.555 1.00 0.00 H new ATOM 0 HA LEU B 20 1.789 -0.652 -2.566 1.00 0.00 H new ATOM 0 HB2 LEU B 20 4.204 0.703 -1.493 1.00 0.00 H new ATOM 0 HB3 LEU B 20 2.756 0.845 -0.516 1.00 0.00 H new ATOM 0 HG LEU B 20 4.374 -1.087 -0.028 1.00 0.00 H new ATOM 0 HD11 LEU B 20 2.515 -2.606 0.547 1.00 0.00 H new ATOM 0 HD12 LEU B 20 2.134 -0.915 0.949 1.00 0.00 H new ATOM 0 HD13 LEU B 20 1.430 -1.665 -0.503 1.00 0.00 H new ATOM 0 HD21 LEU B 20 4.003 -3.140 -1.337 1.00 0.00 H new ATOM 0 HD22 LEU B 20 2.977 -2.227 -2.468 1.00 0.00 H new ATOM 0 HD23 LEU B 20 4.708 -1.841 -2.328 1.00 0.00 H new ATOM 1056 N GLN B 21 2.000 2.614 -2.940 1.00 0.00 N ATOM 1057 CA GLN B 21 1.218 3.842 -2.988 1.00 0.00 C ATOM 1058 C GLN B 21 0.065 3.700 -3.977 1.00 0.00 C ATOM 1059 O GLN B 21 -1.088 3.992 -3.653 1.00 0.00 O ATOM 1060 CB GLN B 21 2.105 5.024 -3.384 1.00 0.00 C ATOM 1061 CG GLN B 21 2.929 5.578 -2.233 1.00 0.00 C ATOM 1062 CD GLN B 21 2.967 7.094 -2.221 1.00 0.00 C ATOM 1063 OE1 GLN B 21 3.881 7.709 -2.770 1.00 0.00 O ATOM 1064 NE2 GLN B 21 1.970 7.706 -1.590 1.00 0.00 N ATOM 0 H GLN B 21 2.969 2.718 -3.241 1.00 0.00 H new ATOM 0 HA GLN B 21 0.808 4.028 -1.995 1.00 0.00 H new ATOM 0 HB2 GLN B 21 2.777 4.712 -4.184 1.00 0.00 H new ATOM 0 HB3 GLN B 21 1.478 5.819 -3.787 1.00 0.00 H new ATOM 0 HG2 GLN B 21 2.515 5.221 -1.290 1.00 0.00 H new ATOM 0 HG3 GLN B 21 3.947 5.193 -2.301 1.00 0.00 H new ATOM 0 HE21 GLN B 21 1.233 7.157 -1.148 1.00 0.00 H new ATOM 0 HE22 GLN B 21 1.942 8.725 -1.547 1.00 0.00 H new ATOM 1073 N LYS B 22 0.382 3.239 -5.185 1.00 0.00 N ATOM 1074 CA LYS B 22 -0.631 3.051 -6.215 1.00 0.00 C ATOM 1075 C LYS B 22 -1.640 1.993 -5.782 1.00 0.00 C ATOM 1076 O LYS B 22 -2.808 2.036 -6.169 1.00 0.00 O ATOM 1077 CB LYS B 22 0.022 2.643 -7.537 1.00 0.00 C ATOM 1078 CG LYS B 22 0.064 3.761 -8.565 1.00 0.00 C ATOM 1079 CD LYS B 22 -1.333 4.150 -9.023 1.00 0.00 C ATOM 1080 CE LYS B 22 -1.837 5.380 -8.286 1.00 0.00 C ATOM 1081 NZ LYS B 22 -2.489 6.350 -9.209 1.00 0.00 N ATOM 0 H LYS B 22 1.329 2.990 -5.472 1.00 0.00 H new ATOM 0 HA LYS B 22 -1.154 3.996 -6.359 1.00 0.00 H new ATOM 0 HB2 LYS B 22 1.039 2.303 -7.341 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -0.522 1.796 -7.955 1.00 0.00 H new ATOM 0 HG2 LYS B 22 0.563 4.631 -8.138 1.00 0.00 H new ATOM 0 HG3 LYS B 22 0.655 3.444 -9.425 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -1.325 4.345 -10.095 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -2.017 3.318 -8.855 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -2.547 5.077 -7.517 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -1.004 5.866 -7.778 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -1.860 7.165 -9.356 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -2.677 5.888 -10.122 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -3.386 6.675 -8.794 1.00 0.00 H new ATOM 1095 N GLU B 23 -1.176 1.046 -4.973 1.00 0.00 N ATOM 1096 CA GLU B 23 -2.032 -0.026 -4.480 1.00 0.00 C ATOM 1097 C GLU B 23 -3.066 0.515 -3.498 1.00 0.00 C ATOM 1098 O GLU B 23 -4.207 0.052 -3.468 1.00 0.00 O ATOM 1099 CB GLU B 23 -1.189 -1.111 -3.807 1.00 0.00 C ATOM 1100 CG GLU B 23 -1.232 -2.448 -4.528 1.00 0.00 C ATOM 1101 CD GLU B 23 -0.006 -2.685 -5.388 1.00 0.00 C ATOM 1102 OE1 GLU B 23 0.034 -2.163 -6.522 1.00 0.00 O ATOM 1103 OE2 GLU B 23 0.914 -3.394 -4.928 1.00 0.00 O ATOM 0 H GLU B 23 -0.211 1.000 -4.645 1.00 0.00 H new ATOM 0 HA GLU B 23 -2.557 -0.461 -5.331 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -0.155 -0.772 -3.749 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -1.538 -1.248 -2.783 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -1.318 -3.250 -3.795 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -2.124 -2.491 -5.153 1.00 0.00 H new ATOM 1110 N ILE B 24 -2.665 1.501 -2.700 1.00 0.00 N ATOM 1111 CA ILE B 24 -3.571 2.096 -1.725 1.00 0.00 C ATOM 1112 C ILE B 24 -4.697 2.841 -2.442 1.00 0.00 C ATOM 1113 O ILE B 24 -5.861 2.761 -2.050 1.00 0.00 O ATOM 1114 CB ILE B 24 -2.827 3.035 -0.718 1.00 0.00 C ATOM 1115 CG1 ILE B 24 -2.822 4.501 -1.177 1.00 0.00 C ATOM 1116 CG2 ILE B 24 -1.399 2.560 -0.492 1.00 0.00 C ATOM 1117 CD1 ILE B 24 -4.111 5.227 -0.859 1.00 0.00 C ATOM 0 H ILE B 24 -1.727 1.901 -2.709 1.00 0.00 H new ATOM 0 HA ILE B 24 -4.001 1.286 -1.135 1.00 0.00 H new ATOM 0 HB ILE B 24 -3.378 2.985 0.221 1.00 0.00 H new ATOM 0 HG12 ILE B 24 -1.992 5.022 -0.700 1.00 0.00 H new ATOM 0 HG13 ILE B 24 -2.647 4.538 -2.252 1.00 0.00 H new ATOM 0 HG21 ILE B 24 -0.901 3.227 0.211 1.00 0.00 H new ATOM 0 HG22 ILE B 24 -1.412 1.549 -0.086 1.00 0.00 H new ATOM 0 HG23 ILE B 24 -0.860 2.563 -1.439 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -4.044 6.257 -1.208 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -4.942 4.728 -1.357 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -4.277 5.219 0.218 1.00 0.00 H new ATOM 1129 N GLU B 25 -4.334 3.558 -3.503 1.00 0.00 N ATOM 1130 CA GLU B 25 -5.305 4.310 -4.285 1.00 0.00 C ATOM 1131 C GLU B 25 -6.375 3.379 -4.842 1.00 0.00 C ATOM 1132 O GLU B 25 -7.566 3.686 -4.799 1.00 0.00 O ATOM 1133 CB GLU B 25 -4.611 5.053 -5.428 1.00 0.00 C ATOM 1134 CG GLU B 25 -5.349 6.303 -5.879 1.00 0.00 C ATOM 1135 CD GLU B 25 -4.450 7.276 -6.616 1.00 0.00 C ATOM 1136 OE1 GLU B 25 -3.357 7.584 -6.096 1.00 0.00 O ATOM 1137 OE2 GLU B 25 -4.839 7.730 -7.712 1.00 0.00 O ATOM 0 H GLU B 25 -3.374 3.632 -3.839 1.00 0.00 H new ATOM 0 HA GLU B 25 -5.781 5.040 -3.630 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -3.605 5.329 -5.112 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -4.505 4.378 -6.277 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -6.178 6.017 -6.527 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -5.780 6.799 -5.010 1.00 0.00 H new ATOM 1144 N ARG B 26 -5.941 2.233 -5.358 1.00 0.00 N ATOM 1145 CA ARG B 26 -6.863 1.251 -5.915 1.00 0.00 C ATOM 1146 C ARG B 26 -7.907 0.855 -4.878 1.00 0.00 C ATOM 1147 O ARG B 26 -9.106 0.845 -5.158 1.00 0.00 O ATOM 1148 CB ARG B 26 -6.100 0.013 -6.390 1.00 0.00 C ATOM 1149 CG ARG B 26 -6.738 -0.671 -7.588 1.00 0.00 C ATOM 1150 CD ARG B 26 -6.875 0.281 -8.765 1.00 0.00 C ATOM 1151 NE ARG B 26 -5.637 1.010 -9.027 1.00 0.00 N ATOM 1152 CZ ARG B 26 -4.576 0.470 -9.618 1.00 0.00 C ATOM 1153 NH1 ARG B 26 -4.604 -0.798 -10.004 1.00 0.00 N ATOM 1154 NH2 ARG B 26 -3.487 1.197 -9.822 1.00 0.00 N ATOM 0 H ARG B 26 -4.958 1.963 -5.402 1.00 0.00 H new ATOM 0 HA ARG B 26 -7.370 1.700 -6.769 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -5.080 0.301 -6.647 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -6.033 -0.700 -5.568 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -6.135 -1.530 -7.882 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -7.721 -1.052 -7.310 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -7.160 -0.281 -9.654 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -7.678 0.991 -8.566 1.00 0.00 H new ATOM 0 HE ARG B 26 -5.584 1.988 -8.741 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -5.440 -1.360 -9.848 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -3.789 -1.211 -10.457 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -3.462 2.173 -9.525 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -2.674 0.781 -10.276 1.00 0.00 H new ATOM 1168 N HIS B 27 -7.443 0.536 -3.673 1.00 0.00 N ATOM 1169 CA HIS B 27 -8.337 0.148 -2.591 1.00 0.00 C ATOM 1170 C HIS B 27 -9.263 1.303 -2.222 1.00 0.00 C ATOM 1171 O HIS B 27 -10.359 1.092 -1.706 1.00 0.00 O ATOM 1172 CB HIS B 27 -7.533 -0.290 -1.366 1.00 0.00 C ATOM 1173 CG HIS B 27 -7.538 -1.770 -1.144 1.00 0.00 C ATOM 1174 ND1 HIS B 27 -8.695 -2.501 -0.963 1.00 0.00 N ATOM 1175 CD2 HIS B 27 -6.520 -2.660 -1.075 1.00 0.00 C ATOM 1176 CE1 HIS B 27 -8.387 -3.774 -0.790 1.00 0.00 C ATOM 1177 NE2 HIS B 27 -7.075 -3.896 -0.856 1.00 0.00 N ATOM 0 H HIS B 27 -6.454 0.539 -3.423 1.00 0.00 H new ATOM 0 HA HIS B 27 -8.943 -0.691 -2.932 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -6.503 0.049 -1.478 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -7.937 0.203 -0.482 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -5.468 -2.439 -1.174 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -9.089 -4.577 -0.623 1.00 0.00 H new ATOM 0 HE2 HIS B 27 -6.556 -4.769 -0.760 1.00 0.00 H new ATOM 1186 N LYS B 28 -8.810 2.525 -2.494 1.00 0.00 N ATOM 1187 CA LYS B 28 -9.595 3.716 -2.195 1.00 0.00 C ATOM 1188 C LYS B 28 -10.772 3.845 -3.156 1.00 0.00 C ATOM 1189 O LYS B 28 -11.854 4.291 -2.773 1.00 0.00 O ATOM 1190 CB LYS B 28 -8.716 4.964 -2.279 1.00 0.00 C ATOM 1191 CG LYS B 28 -9.444 6.247 -1.909 1.00 0.00 C ATOM 1192 CD LYS B 28 -10.129 6.867 -3.115 1.00 0.00 C ATOM 1193 CE LYS B 28 -9.348 8.058 -3.647 1.00 0.00 C ATOM 1194 NZ LYS B 28 -10.151 9.312 -3.606 1.00 0.00 N ATOM 0 H LYS B 28 -7.903 2.714 -2.921 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.984 3.621 -1.181 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -7.858 4.839 -1.618 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -8.327 5.056 -3.293 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -10.184 6.037 -1.137 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -8.736 6.959 -1.486 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -10.233 6.118 -3.900 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -11.135 7.183 -2.841 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -8.440 8.189 -3.058 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -9.037 7.859 -4.673 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -9.583 10.100 -3.977 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -11.005 9.197 -4.188 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -10.426 9.516 -2.624 1.00 0.00 H new ATOM 1208 N GLN B 29 -10.553 3.452 -4.407 1.00 0.00 N ATOM 1209 CA GLN B 29 -11.595 3.525 -5.425 1.00 0.00 C ATOM 1210 C GLN B 29 -12.650 2.447 -5.203 1.00 0.00 C ATOM 1211 O GLN B 29 -13.823 2.641 -5.520 1.00 0.00 O ATOM 1212 CB GLN B 29 -10.986 3.377 -6.819 1.00 0.00 C ATOM 1213 CG GLN B 29 -11.609 4.298 -7.855 1.00 0.00 C ATOM 1214 CD GLN B 29 -10.742 5.504 -8.160 1.00 0.00 C ATOM 1215 OE1 GLN B 29 -9.522 5.464 -7.995 1.00 0.00 O ATOM 1216 NE2 GLN B 29 -11.368 6.586 -8.606 1.00 0.00 N ATOM 0 H GLN B 29 -9.664 3.080 -4.740 1.00 0.00 H new ATOM 0 HA GLN B 29 -12.076 4.500 -5.347 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -9.916 3.578 -6.762 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -11.099 2.344 -7.148 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -11.784 3.739 -8.774 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -12.582 4.636 -7.497 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -12.381 6.575 -8.728 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -10.836 7.428 -8.827 1.00 0.00 H new ATOM 1225 N SER B 30 -12.227 1.312 -4.658 1.00 0.00 N ATOM 1226 CA SER B 30 -13.140 0.206 -4.396 1.00 0.00 C ATOM 1227 C SER B 30 -14.036 0.515 -3.199 1.00 0.00 C ATOM 1228 O SER B 30 -15.211 0.150 -3.179 1.00 0.00 O ATOM 1229 CB SER B 30 -12.356 -1.083 -4.140 1.00 0.00 C ATOM 1230 OG SER B 30 -13.106 -2.222 -4.521 1.00 0.00 O ATOM 0 H SER B 30 -11.259 1.134 -4.389 1.00 0.00 H new ATOM 0 HA SER B 30 -13.769 0.071 -5.276 1.00 0.00 H new ATOM 0 HB2 SER B 30 -11.419 -1.058 -4.696 1.00 0.00 H new ATOM 0 HB3 SER B 30 -12.098 -1.151 -3.083 1.00 0.00 H new ATOM 0 HG SER B 30 -12.582 -3.032 -4.349 1.00 0.00 H new ATOM 1236 N ILE B 31 -13.470 1.189 -2.205 1.00 0.00 N ATOM 1237 CA ILE B 31 -14.208 1.552 -1.000 1.00 0.00 C ATOM 1238 C ILE B 31 -15.232 2.646 -1.289 1.00 0.00 C ATOM 1239 O ILE B 31 -16.317 2.663 -0.707 1.00 0.00 O ATOM 1240 CB ILE B 31 -13.245 2.024 0.109 1.00 0.00 C ATOM 1241 CG1 ILE B 31 -14.006 2.493 1.350 1.00 0.00 C ATOM 1242 CG2 ILE B 31 -12.349 3.138 -0.408 1.00 0.00 C ATOM 1243 CD1 ILE B 31 -14.750 1.388 2.063 1.00 0.00 C ATOM 0 H ILE B 31 -12.498 1.497 -2.210 1.00 0.00 H new ATOM 0 HA ILE B 31 -14.736 0.662 -0.659 1.00 0.00 H new ATOM 0 HB ILE B 31 -12.627 1.173 0.396 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -13.302 2.951 2.045 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -14.716 3.267 1.058 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -11.675 3.461 0.386 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -11.766 2.773 -1.253 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -12.963 3.980 -0.727 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -15.265 1.798 2.932 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -15.479 0.944 1.385 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -14.043 0.624 2.387 1.00 0.00 H new ATOM 1255 N LYS B 32 -14.884 3.555 -2.195 1.00 0.00 N ATOM 1256 CA LYS B 32 -15.780 4.646 -2.560 1.00 0.00 C ATOM 1257 C LYS B 32 -16.888 4.150 -3.483 1.00 0.00 C ATOM 1258 O LYS B 32 -18.021 4.627 -3.422 1.00 0.00 O ATOM 1259 CB LYS B 32 -14.999 5.772 -3.239 1.00 0.00 C ATOM 1260 CG LYS B 32 -14.336 6.728 -2.260 1.00 0.00 C ATOM 1261 CD LYS B 32 -15.307 7.788 -1.771 1.00 0.00 C ATOM 1262 CE LYS B 32 -14.721 8.594 -0.623 1.00 0.00 C ATOM 1263 NZ LYS B 32 -14.466 10.008 -1.011 1.00 0.00 N ATOM 0 H LYS B 32 -13.991 3.558 -2.688 1.00 0.00 H new ATOM 0 HA LYS B 32 -16.235 5.031 -1.648 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -14.235 5.336 -3.883 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -15.675 6.335 -3.883 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -13.949 6.168 -1.409 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -13.483 7.208 -2.740 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -15.562 8.457 -2.593 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -16.233 7.313 -1.448 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -15.405 8.568 0.225 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -13.789 8.134 -0.295 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -14.067 10.524 -0.201 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -13.793 10.035 -1.804 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -15.359 10.455 -1.300 1.00 0.00 H new ATOM 1277 N LYS B 33 -16.553 3.183 -4.331 1.00 0.00 N ATOM 1278 CA LYS B 33 -17.520 2.616 -5.263 1.00 0.00 C ATOM 1279 C LYS B 33 -18.486 1.692 -4.531 1.00 0.00 C ATOM 1280 O LYS B 33 -19.636 1.528 -4.940 1.00 0.00 O ATOM 1281 CB LYS B 33 -16.803 1.850 -6.374 1.00 0.00 C ATOM 1282 CG LYS B 33 -16.704 2.623 -7.679 1.00 0.00 C ATOM 1283 CD LYS B 33 -15.734 1.961 -8.646 1.00 0.00 C ATOM 1284 CE LYS B 33 -15.599 2.760 -9.933 1.00 0.00 C ATOM 1285 NZ LYS B 33 -15.428 1.878 -11.119 1.00 0.00 N ATOM 0 H LYS B 33 -15.620 2.776 -4.392 1.00 0.00 H new ATOM 0 HA LYS B 33 -18.087 3.433 -5.709 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -15.799 1.592 -6.037 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -17.329 0.913 -6.555 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -17.690 2.690 -8.139 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -16.377 3.643 -7.475 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -14.757 1.863 -8.173 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -16.079 0.953 -8.877 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -16.484 3.382 -10.068 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -14.745 3.433 -9.855 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -15.340 2.461 -11.976 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -14.570 1.302 -11.002 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -16.255 1.253 -11.209 1.00 0.00 H new ATOM 1299 N LEU B 34 -18.011 1.095 -3.443 1.00 0.00 N ATOM 1300 CA LEU B 34 -18.831 0.192 -2.647 1.00 0.00 C ATOM 1301 C LEU B 34 -19.877 0.973 -1.859 1.00 0.00 C ATOM 1302 O LEU B 34 -21.038 0.573 -1.782 1.00 0.00 O ATOM 1303 CB LEU B 34 -17.955 -0.620 -1.691 1.00 0.00 C ATOM 1304 CG LEU B 34 -18.235 -2.125 -1.662 1.00 0.00 C ATOM 1305 CD1 LEU B 34 -19.732 -2.397 -1.648 1.00 0.00 C ATOM 1306 CD2 LEU B 34 -17.579 -2.810 -2.851 1.00 0.00 C ATOM 0 H LEU B 34 -17.061 1.221 -3.093 1.00 0.00 H new ATOM 0 HA LEU B 34 -19.342 -0.492 -3.324 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -16.911 -0.467 -1.964 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -18.083 -0.224 -0.683 1.00 0.00 H new ATOM 0 HG LEU B 34 -17.807 -2.534 -0.747 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -19.906 -3.473 -1.627 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -20.176 -1.940 -0.764 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -20.187 -1.973 -2.543 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -17.788 -3.879 -2.815 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -17.977 -2.393 -3.776 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -16.502 -2.649 -2.815 1.00 0.00 H new ATOM 1318 N LYS B 35 -19.456 2.093 -1.277 1.00 0.00 N ATOM 1319 CA LYS B 35 -20.360 2.930 -0.497 1.00 0.00 C ATOM 1320 C LYS B 35 -21.431 3.549 -1.389 1.00 0.00 C ATOM 1321 O LYS B 35 -22.589 3.673 -0.990 1.00 0.00 O ATOM 1322 CB LYS B 35 -19.578 4.031 0.222 1.00 0.00 C ATOM 1323 CG LYS B 35 -19.908 4.145 1.701 1.00 0.00 C ATOM 1324 CD LYS B 35 -21.368 4.507 1.920 1.00 0.00 C ATOM 1325 CE LYS B 35 -22.161 3.327 2.454 1.00 0.00 C ATOM 1326 NZ LYS B 35 -23.626 3.505 2.255 1.00 0.00 N ATOM 0 H LYS B 35 -18.498 2.440 -1.331 1.00 0.00 H new ATOM 0 HA LYS B 35 -20.850 2.300 0.245 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -18.511 3.839 0.110 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -19.783 4.986 -0.262 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -19.688 3.200 2.198 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -19.272 4.902 2.160 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -21.436 5.339 2.621 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -21.805 4.845 0.980 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -21.835 2.415 1.954 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -21.952 3.200 3.516 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -24.131 2.678 2.633 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -23.942 4.361 2.753 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -23.829 3.600 1.240 1.00 0.00 H new ATOM 1340 N GLN B 36 -21.037 3.933 -2.599 1.00 0.00 N ATOM 1341 CA GLN B 36 -21.964 4.537 -3.547 1.00 0.00 C ATOM 1342 C GLN B 36 -22.900 3.485 -4.134 1.00 0.00 C ATOM 1343 O GLN B 36 -24.008 3.798 -4.569 1.00 0.00 O ATOM 1344 CB GLN B 36 -21.196 5.235 -4.671 1.00 0.00 C ATOM 1345 CG GLN B 36 -22.056 6.172 -5.504 1.00 0.00 C ATOM 1346 CD GLN B 36 -22.658 7.295 -4.684 1.00 0.00 C ATOM 1347 OE1 GLN B 36 -22.140 7.655 -3.628 1.00 0.00 O ATOM 1348 NE2 GLN B 36 -23.761 7.854 -5.168 1.00 0.00 N ATOM 0 H GLN B 36 -20.082 3.836 -2.945 1.00 0.00 H new ATOM 0 HA GLN B 36 -22.562 5.275 -3.013 1.00 0.00 H new ATOM 0 HB2 GLN B 36 -20.370 5.801 -4.239 1.00 0.00 H new ATOM 0 HB3 GLN B 36 -20.758 4.480 -5.324 1.00 0.00 H new ATOM 0 HG2 GLN B 36 -21.452 6.596 -6.306 1.00 0.00 H new ATOM 0 HG3 GLN B 36 -22.857 5.602 -5.975 1.00 0.00 H new ATOM 0 HE21 GLN B 36 -24.156 7.523 -6.048 1.00 0.00 H new ATOM 0 HE22 GLN B 36 -24.213 8.614 -4.660 1.00 0.00 H new ATOM 1357 N SER B 37 -22.447 2.235 -4.142 1.00 0.00 N ATOM 1358 CA SER B 37 -23.244 1.136 -4.674 1.00 0.00 C ATOM 1359 C SER B 37 -24.340 0.732 -3.693 1.00 0.00 C ATOM 1360 O SER B 37 -25.445 0.369 -4.096 1.00 0.00 O ATOM 1361 CB SER B 37 -22.351 -0.068 -4.982 1.00 0.00 C ATOM 1362 OG SER B 37 -23.093 -1.274 -4.952 1.00 0.00 O ATOM 0 H SER B 37 -21.532 1.958 -3.786 1.00 0.00 H new ATOM 0 HA SER B 37 -23.715 1.477 -5.596 1.00 0.00 H new ATOM 0 HB2 SER B 37 -21.893 0.057 -5.963 1.00 0.00 H new ATOM 0 HB3 SER B 37 -21.540 -0.118 -4.256 1.00 0.00 H new ATOM 0 HG SER B 37 -22.500 -2.028 -5.153 1.00 0.00 H new ATOM 1368 N GLU B 38 -24.028 0.800 -2.403 1.00 0.00 N ATOM 1369 CA GLU B 38 -24.989 0.442 -1.366 1.00 0.00 C ATOM 1370 C GLU B 38 -26.121 1.461 -1.301 1.00 0.00 C ATOM 1371 O GLU B 38 -27.230 1.145 -0.871 1.00 0.00 O ATOM 1372 CB GLU B 38 -24.295 0.344 -0.007 1.00 0.00 C ATOM 1373 CG GLU B 38 -24.647 -0.916 0.767 1.00 0.00 C ATOM 1374 CD GLU B 38 -24.657 -0.697 2.267 1.00 0.00 C ATOM 1375 OE1 GLU B 38 -23.567 -0.504 2.846 1.00 0.00 O ATOM 1376 OE2 GLU B 38 -25.755 -0.716 2.862 1.00 0.00 O ATOM 0 H GLU B 38 -23.119 1.099 -2.051 1.00 0.00 H new ATOM 0 HA GLU B 38 -25.413 -0.530 -1.618 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -23.216 0.379 -0.156 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -24.562 1.215 0.592 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -25.627 -1.271 0.449 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -23.930 -1.700 0.523 1.00 0.00 H new ATOM 1383 N ASP B 39 -25.834 2.685 -1.733 1.00 0.00 N ATOM 1384 CA ASP B 39 -26.829 3.751 -1.726 1.00 0.00 C ATOM 1385 C ASP B 39 -27.856 3.542 -2.834 1.00 0.00 C ATOM 1386 O ASP B 39 -28.990 4.011 -2.738 1.00 0.00 O ATOM 1387 CB ASP B 39 -26.150 5.111 -1.893 1.00 0.00 C ATOM 1388 CG ASP B 39 -27.111 6.266 -1.689 1.00 0.00 C ATOM 1389 OD1 ASP B 39 -28.184 6.266 -2.328 1.00 0.00 O ATOM 1390 OD2 ASP B 39 -26.792 7.171 -0.889 1.00 0.00 O ATOM 0 H ASP B 39 -24.921 2.963 -2.092 1.00 0.00 H new ATOM 0 HA ASP B 39 -27.346 3.727 -0.767 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -25.330 5.194 -1.180 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -25.714 5.176 -2.890 1.00 0.00 H new ATOM 1395 N ASP B 40 -27.450 2.837 -3.886 1.00 0.00 N ATOM 1396 CA ASP B 40 -28.335 2.566 -5.012 1.00 0.00 C ATOM 1397 C ASP B 40 -28.606 3.838 -5.809 1.00 0.00 C ATOM 1398 O ASP B 40 -28.241 4.935 -5.390 1.00 0.00 O ATOM 1399 CB ASP B 40 -29.655 1.968 -4.519 1.00 0.00 C ATOM 1400 CG ASP B 40 -29.444 0.824 -3.549 1.00 0.00 C ATOM 1401 OD1 ASP B 40 -28.916 -0.225 -3.973 1.00 0.00 O ATOM 1402 OD2 ASP B 40 -29.806 0.976 -2.363 1.00 0.00 O ATOM 0 H ASP B 40 -26.514 2.444 -3.981 1.00 0.00 H new ATOM 0 HA ASP B 40 -27.841 1.847 -5.665 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -30.245 2.746 -4.036 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -30.232 1.615 -5.373 1.00 0.00 H new ATOM 1407 N ASP B 41 -29.248 3.681 -6.963 1.00 0.00 N ATOM 1408 CA ASP B 41 -29.569 4.817 -7.820 1.00 0.00 C ATOM 1409 C ASP B 41 -31.050 5.168 -7.727 1.00 0.00 C ATOM 1410 O ASP B 41 -31.367 6.371 -7.623 1.00 0.00 O ATOM 1411 CB ASP B 41 -29.196 4.509 -9.270 1.00 0.00 C ATOM 1412 CG ASP B 41 -27.869 3.782 -9.384 1.00 0.00 C ATOM 1413 OD1 ASP B 41 -26.840 4.356 -8.970 1.00 0.00 O ATOM 1414 OD2 ASP B 41 -27.861 2.639 -9.888 1.00 0.00 O ATOM 1415 OXT ASP B 41 -31.881 4.236 -7.760 1.00 0.00 O ATOM 0 H ASP B 41 -29.556 2.779 -7.326 1.00 0.00 H new ATOM 0 HA ASP B 41 -28.989 5.674 -7.477 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -29.980 3.902 -9.723 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -29.147 5.440 -9.835 1.00 0.00 H new TER 1420 ASP B 41