USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=22 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= -3.42 F(o=-15!,f=-13) USER MOD Set 1.2: B 13 HIS : no HD1:sc= -9.09! C(o=-13!,f=-14!) USER MOD Set 2.1: A 12 HIS :FLIP no HD1:sc= -3.33 F(o=-15!,f=-12) USER MOD Set 2.2: A 13 HIS : no HD1:sc= -8.98! C(o=-12!,f=-13!) USER MOD Single : A 1 ALA N :NH3+ -113:sc= 0.0647 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.138) USER MOD Single : A 4 LYS NZ :NH3+ 153:sc= -0.142 (180deg=-0.707) USER MOD Single : A 5 HIS :FLIP no HD1:sc= -0.269 F(o=-1.4,f=-0.27) USER MOD Single : A 6 HIS : no HD1:sc= -0.398 X(o=-0.4,f=-0.66) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -4.05! C(o=-4.1!,f=-4.2!) USER MOD Single : A 28 LYS NZ :NH3+ -130:sc= -0.153 (180deg=-0.581) USER MOD Single : A 29 GLN : amide:sc= -0.151 K(o=-0.15,f=-0.77) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00566) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ -150:sc= -0.274 (180deg=-1.24!) USER MOD Single : A 36 GLN : amide:sc= 0.185 X(o=0.18,f=0) USER MOD Single : A 37 SER OG : rot 87:sc= 1.01 USER MOD Single : B 1 ALA N :NH3+ -113:sc= 0.0636 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.122) USER MOD Single : B 4 LYS NZ :NH3+ 150:sc= -0.115 (180deg=-0.642) USER MOD Single : B 5 HIS :FLIP no HD1:sc= -0.234 F(o=-1.3,f=-0.23) USER MOD Single : B 6 HIS : no HD1:sc= -0.352 K(o=-0.35,f=-0.87) USER MOD Single : B 8 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 GLN : amide:sc= -0.0129 X(o=-0.013,f=0) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 HIS : no HD1:sc= -4.16! C(o=-4.2!,f=-4.1!) USER MOD Single : B 28 LYS NZ :NH3+ -126:sc= -0.182 (180deg=-0.541) USER MOD Single : B 29 GLN : amide:sc= -0.168 X(o=-0.17,f=-0.61) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.00787) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ -138:sc= -0.307 (180deg=-1.21!) USER MOD Single : B 36 GLN : amide:sc= 0.179 X(o=0.18,f=0) USER MOD Single : B 37 SER OG : rot 88:sc= 1.01 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -33.167 -8.689 -2.387 1.00 0.00 N ATOM 2 CA ALA A 1 -31.786 -8.932 -1.896 1.00 0.00 C ATOM 3 C ALA A 1 -31.559 -8.264 -0.545 1.00 0.00 C ATOM 4 O ALA A 1 -32.253 -7.312 -0.187 1.00 0.00 O ATOM 5 CB ALA A 1 -30.770 -8.430 -2.911 1.00 0.00 C ATOM 0 H1 ALA A 1 -33.694 -9.586 -2.399 1.00 0.00 H new ATOM 0 H2 ALA A 1 -33.646 -8.014 -1.757 1.00 0.00 H new ATOM 0 H3 ALA A 1 -33.129 -8.297 -3.349 1.00 0.00 H new ATOM 0 HA ALA A 1 -31.656 -10.007 -1.768 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -29.762 -8.614 -2.539 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -30.909 -8.955 -3.856 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -30.909 -7.360 -3.067 1.00 0.00 H new ATOM 13 N LEU A 2 -30.583 -8.768 0.203 1.00 0.00 N ATOM 14 CA LEU A 2 -30.266 -8.219 1.517 1.00 0.00 C ATOM 15 C LEU A 2 -29.114 -7.224 1.425 1.00 0.00 C ATOM 16 O LEU A 2 -29.023 -6.289 2.220 1.00 0.00 O ATOM 17 CB LEU A 2 -29.906 -9.345 2.489 1.00 0.00 C ATOM 18 CG LEU A 2 -30.659 -10.658 2.267 1.00 0.00 C ATOM 19 CD1 LEU A 2 -29.691 -11.772 1.901 1.00 0.00 C ATOM 20 CD2 LEU A 2 -31.460 -11.031 3.506 1.00 0.00 C ATOM 0 H LEU A 2 -29.998 -9.555 -0.078 1.00 0.00 H new ATOM 0 HA LEU A 2 -31.147 -7.695 1.888 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -28.836 -9.540 2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -30.097 -9.002 3.506 1.00 0.00 H new ATOM 0 HG LEU A 2 -31.354 -10.520 1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -30.244 -12.699 1.747 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -29.162 -11.508 0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -28.972 -11.909 2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -31.989 -11.968 3.329 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -30.785 -11.150 4.354 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -32.181 -10.243 3.724 1.00 0.00 H new ATOM 32 N LYS A 3 -28.235 -7.432 0.449 1.00 0.00 N ATOM 33 CA LYS A 3 -27.088 -6.554 0.253 1.00 0.00 C ATOM 34 C LYS A 3 -26.321 -6.358 1.557 1.00 0.00 C ATOM 35 O LYS A 3 -25.636 -5.352 1.741 1.00 0.00 O ATOM 36 CB LYS A 3 -27.544 -5.198 -0.293 1.00 0.00 C ATOM 37 CG LYS A 3 -26.986 -4.879 -1.669 1.00 0.00 C ATOM 38 CD LYS A 3 -28.059 -4.315 -2.587 1.00 0.00 C ATOM 39 CE LYS A 3 -27.861 -4.776 -4.023 1.00 0.00 C ATOM 40 NZ LYS A 3 -26.477 -4.513 -4.506 1.00 0.00 N ATOM 0 H LYS A 3 -28.296 -8.201 -0.218 1.00 0.00 H new ATOM 0 HA LYS A 3 -26.423 -7.025 -0.471 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -28.633 -5.181 -0.339 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -27.242 -4.415 0.403 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -26.171 -4.161 -1.575 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -26.565 -5.782 -2.111 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -29.042 -4.628 -2.235 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -28.038 -3.226 -2.547 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -28.074 -5.843 -4.094 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -28.574 -4.265 -4.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -26.441 -4.633 -5.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -26.203 -3.540 -4.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -25.819 -5.182 -4.057 1.00 0.00 H new ATOM 54 N LYS A 4 -26.439 -7.327 2.459 1.00 0.00 N ATOM 55 CA LYS A 4 -25.754 -7.261 3.745 1.00 0.00 C ATOM 56 C LYS A 4 -24.270 -7.565 3.584 1.00 0.00 C ATOM 57 O LYS A 4 -23.421 -6.902 4.180 1.00 0.00 O ATOM 58 CB LYS A 4 -26.385 -8.242 4.734 1.00 0.00 C ATOM 59 CG LYS A 4 -26.128 -7.888 6.190 1.00 0.00 C ATOM 60 CD LYS A 4 -27.051 -8.657 7.121 1.00 0.00 C ATOM 61 CE LYS A 4 -27.440 -7.824 8.332 1.00 0.00 C ATOM 62 NZ LYS A 4 -28.206 -6.606 7.948 1.00 0.00 N ATOM 0 H LYS A 4 -27.002 -8.167 2.323 1.00 0.00 H new ATOM 0 HA LYS A 4 -25.859 -6.248 4.134 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -27.461 -8.277 4.562 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -25.998 -9.242 4.538 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -25.090 -8.108 6.441 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -26.272 -6.817 6.336 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -27.949 -8.956 6.580 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -26.558 -9.572 7.450 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -28.039 -8.430 9.012 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -26.541 -7.531 8.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -28.825 -6.323 8.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -27.544 -5.833 7.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -28.785 -6.810 7.109 1.00 0.00 H new ATOM 76 N HIS A 5 -23.962 -8.574 2.775 1.00 0.00 N ATOM 77 CA HIS A 5 -22.578 -8.964 2.536 1.00 0.00 C ATOM 78 C HIS A 5 -21.778 -7.799 1.963 1.00 0.00 C ATOM 79 O HIS A 5 -20.556 -7.741 2.107 1.00 0.00 O ATOM 80 CB HIS A 5 -22.521 -10.156 1.580 1.00 0.00 C ATOM 81 CG HIS A 5 -23.366 -9.985 0.356 1.00 0.00 C ATOM 82 ND1 HIS A 5 -23.382 -9.006 -0.580 1.00 0.00 N flip ATOM 83 CD2 HIS A 5 -24.339 -10.888 -0.020 1.00 0.00 C flip ATOM 84 CE1 HIS A 5 -24.352 -9.334 -1.493 1.00 0.00 C flip ATOM 85 NE2 HIS A 5 -24.916 -10.473 -1.134 1.00 0.00 N flip ATOM 0 H HIS A 5 -24.651 -9.135 2.275 1.00 0.00 H new ATOM 0 HA HIS A 5 -22.136 -9.251 3.490 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -21.487 -10.319 1.277 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -22.842 -11.052 2.111 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -24.590 -11.793 0.513 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -24.613 -8.754 -2.366 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -25.668 -10.950 -1.631 1.00 0.00 H new ATOM 94 N HIS A 6 -22.474 -6.870 1.313 1.00 0.00 N ATOM 95 CA HIS A 6 -21.828 -5.706 0.719 1.00 0.00 C ATOM 96 C HIS A 6 -21.179 -4.840 1.792 1.00 0.00 C ATOM 97 O HIS A 6 -20.095 -4.297 1.592 1.00 0.00 O ATOM 98 CB HIS A 6 -22.841 -4.883 -0.077 1.00 0.00 C ATOM 99 CG HIS A 6 -22.455 -4.678 -1.508 1.00 0.00 C ATOM 100 ND1 HIS A 6 -21.667 -5.567 -2.210 1.00 0.00 N ATOM 101 CD2 HIS A 6 -22.752 -3.679 -2.373 1.00 0.00 C ATOM 102 CE1 HIS A 6 -21.496 -5.124 -3.443 1.00 0.00 C ATOM 103 NE2 HIS A 6 -22.145 -3.980 -3.566 1.00 0.00 N ATOM 0 H HIS A 6 -23.485 -6.902 1.185 1.00 0.00 H new ATOM 0 HA HIS A 6 -21.050 -6.059 0.042 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -23.810 -5.380 -0.039 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -22.962 -3.911 0.401 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -23.354 -2.808 -2.163 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -20.924 -5.613 -4.217 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -22.188 -3.412 -4.412 1.00 0.00 H new ATOM 112 N GLU A 7 -21.848 -4.717 2.935 1.00 0.00 N ATOM 113 CA GLU A 7 -21.331 -3.921 4.040 1.00 0.00 C ATOM 114 C GLU A 7 -20.044 -4.531 4.585 1.00 0.00 C ATOM 115 O GLU A 7 -19.204 -3.833 5.150 1.00 0.00 O ATOM 116 CB GLU A 7 -22.373 -3.814 5.154 1.00 0.00 C ATOM 117 CG GLU A 7 -23.425 -2.746 4.903 1.00 0.00 C ATOM 118 CD GLU A 7 -23.869 -2.055 6.177 1.00 0.00 C ATOM 119 OE1 GLU A 7 -24.448 -2.735 7.050 1.00 0.00 O ATOM 120 OE2 GLU A 7 -23.638 -0.833 6.301 1.00 0.00 O ATOM 0 H GLU A 7 -22.749 -5.159 3.119 1.00 0.00 H new ATOM 0 HA GLU A 7 -21.111 -2.921 3.666 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -22.867 -4.778 5.272 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -21.866 -3.599 6.095 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -23.026 -2.004 4.211 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -24.290 -3.200 4.420 1.00 0.00 H new ATOM 127 N ASN A 8 -19.896 -5.841 4.404 1.00 0.00 N ATOM 128 CA ASN A 8 -18.709 -6.547 4.873 1.00 0.00 C ATOM 129 C ASN A 8 -17.506 -6.205 4.004 1.00 0.00 C ATOM 130 O ASN A 8 -16.479 -5.746 4.502 1.00 0.00 O ATOM 131 CB ASN A 8 -18.950 -8.058 4.865 1.00 0.00 C ATOM 132 CG ASN A 8 -18.437 -8.732 6.122 1.00 0.00 C ATOM 133 OD1 ASN A 8 -17.284 -8.547 6.512 1.00 0.00 O ATOM 134 ND2 ASN A 8 -19.292 -9.520 6.763 1.00 0.00 N ATOM 0 H ASN A 8 -20.582 -6.433 3.937 1.00 0.00 H new ATOM 0 HA ASN A 8 -18.502 -6.229 5.895 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -20.018 -8.252 4.762 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -18.461 -8.497 3.995 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -19.002 -10.001 7.615 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -20.239 -9.645 6.404 1.00 0.00 H new ATOM 141 N GLU A 9 -17.643 -6.421 2.700 1.00 0.00 N ATOM 142 CA GLU A 9 -16.568 -6.121 1.762 1.00 0.00 C ATOM 143 C GLU A 9 -16.250 -4.629 1.774 1.00 0.00 C ATOM 144 O GLU A 9 -15.142 -4.217 1.433 1.00 0.00 O ATOM 145 CB GLU A 9 -16.955 -6.563 0.349 1.00 0.00 C ATOM 146 CG GLU A 9 -15.949 -7.506 -0.290 1.00 0.00 C ATOM 147 CD GLU A 9 -15.834 -8.825 0.450 1.00 0.00 C ATOM 148 OE1 GLU A 9 -15.477 -8.806 1.646 1.00 0.00 O ATOM 149 OE2 GLU A 9 -16.104 -9.877 -0.169 1.00 0.00 O ATOM 0 H GLU A 9 -18.486 -6.802 2.270 1.00 0.00 H new ATOM 0 HA GLU A 9 -15.679 -6.671 2.071 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -17.928 -7.053 0.384 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -17.065 -5.681 -0.281 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -16.241 -7.697 -1.323 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -14.972 -7.024 -0.319 1.00 0.00 H new ATOM 156 N ILE A 10 -17.233 -3.826 2.174 1.00 0.00 N ATOM 157 CA ILE A 10 -17.069 -2.382 2.238 1.00 0.00 C ATOM 158 C ILE A 10 -16.159 -2.001 3.412 1.00 0.00 C ATOM 159 O ILE A 10 -15.244 -1.191 3.266 1.00 0.00 O ATOM 160 CB ILE A 10 -18.472 -1.684 2.313 1.00 0.00 C ATOM 161 CG1 ILE A 10 -18.739 -0.912 1.021 1.00 0.00 C ATOM 162 CG2 ILE A 10 -18.643 -0.757 3.521 1.00 0.00 C ATOM 163 CD1 ILE A 10 -20.043 -1.291 0.353 1.00 0.00 C ATOM 0 H ILE A 10 -18.155 -4.156 2.459 1.00 0.00 H new ATOM 0 HA ILE A 10 -16.581 -2.029 1.330 1.00 0.00 H new ATOM 0 HB ILE A 10 -19.203 -2.483 2.439 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -18.748 0.156 1.240 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -17.918 -1.088 0.325 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -19.638 -0.313 3.501 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -18.520 -1.330 4.440 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -17.893 0.033 3.483 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -20.169 -0.705 -0.558 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -20.029 -2.352 0.103 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -20.872 -1.089 1.032 1.00 0.00 H new ATOM 175 N SER A 11 -16.419 -2.597 4.572 1.00 0.00 N ATOM 176 CA SER A 11 -15.626 -2.325 5.762 1.00 0.00 C ATOM 177 C SER A 11 -14.200 -2.840 5.591 1.00 0.00 C ATOM 178 O SER A 11 -13.269 -2.341 6.225 1.00 0.00 O ATOM 179 CB SER A 11 -16.271 -2.972 6.990 1.00 0.00 C ATOM 180 OG SER A 11 -17.225 -2.106 7.579 1.00 0.00 O ATOM 0 H SER A 11 -17.172 -3.270 4.711 1.00 0.00 H new ATOM 0 HA SER A 11 -15.590 -1.245 5.907 1.00 0.00 H new ATOM 0 HB2 SER A 11 -16.752 -3.907 6.702 1.00 0.00 H new ATOM 0 HB3 SER A 11 -15.501 -3.221 7.720 1.00 0.00 H new ATOM 0 HG SER A 11 -17.624 -2.542 8.360 1.00 0.00 H new ATOM 186 N HIS A 12 -14.037 -3.839 4.730 1.00 0.00 N ATOM 187 CA HIS A 12 -12.724 -4.419 4.478 1.00 0.00 C ATOM 188 C HIS A 12 -11.910 -3.513 3.551 1.00 0.00 C ATOM 189 O HIS A 12 -10.713 -3.320 3.760 1.00 0.00 O ATOM 190 CB HIS A 12 -12.888 -5.855 3.923 1.00 0.00 C ATOM 191 CG HIS A 12 -12.141 -6.160 2.653 1.00 0.00 C ATOM 192 ND1 HIS A 12 -12.590 -6.374 1.395 1.00 0.00 N flip ATOM 193 CD2 HIS A 12 -10.768 -6.278 2.595 1.00 0.00 C flip ATOM 194 CE1 HIS A 12 -11.491 -6.613 0.606 1.00 0.00 C flip ATOM 195 NE2 HIS A 12 -10.405 -6.549 1.353 1.00 0.00 N flip ATOM 0 H HIS A 12 -14.796 -4.263 4.196 1.00 0.00 H new ATOM 0 HA HIS A 12 -12.164 -4.493 5.410 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -12.564 -6.559 4.690 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -13.949 -6.038 3.750 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -10.095 -6.167 3.432 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -11.512 -6.820 -0.454 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -9.448 -6.685 1.027 1.00 0.00 H new ATOM 204 N HIS A 13 -12.564 -2.952 2.537 1.00 0.00 N ATOM 205 CA HIS A 13 -11.882 -2.060 1.606 1.00 0.00 C ATOM 206 C HIS A 13 -11.453 -0.786 2.319 1.00 0.00 C ATOM 207 O HIS A 13 -10.478 -0.146 1.930 1.00 0.00 O ATOM 208 CB HIS A 13 -12.782 -1.703 0.424 1.00 0.00 C ATOM 209 CG HIS A 13 -13.435 -2.877 -0.228 1.00 0.00 C ATOM 210 ND1 HIS A 13 -12.870 -4.134 -0.270 1.00 0.00 N ATOM 211 CD2 HIS A 13 -14.616 -2.975 -0.876 1.00 0.00 C ATOM 212 CE1 HIS A 13 -13.677 -4.955 -0.918 1.00 0.00 C ATOM 213 NE2 HIS A 13 -14.744 -4.274 -1.296 1.00 0.00 N ATOM 0 H HIS A 13 -13.554 -3.097 2.341 1.00 0.00 H new ATOM 0 HA HIS A 13 -11.003 -2.581 1.228 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -13.556 -1.015 0.766 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.190 -1.171 -0.321 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -15.328 -2.178 -1.034 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -13.496 -6.003 -1.106 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -15.535 -4.653 -1.816 1.00 0.00 H new ATOM 222 N ALA A 14 -12.192 -0.424 3.364 1.00 0.00 N ATOM 223 CA ALA A 14 -11.887 0.773 4.137 1.00 0.00 C ATOM 224 C ALA A 14 -10.614 0.573 4.944 1.00 0.00 C ATOM 225 O ALA A 14 -9.656 1.335 4.813 1.00 0.00 O ATOM 226 CB ALA A 14 -13.048 1.126 5.055 1.00 0.00 C ATOM 0 H ALA A 14 -13.006 -0.943 3.694 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.732 1.600 3.444 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.802 2.022 5.624 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.941 1.309 4.458 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.233 0.300 5.741 1.00 0.00 H new ATOM 232 N LYS A 15 -10.603 -0.470 5.766 1.00 0.00 N ATOM 233 CA LYS A 15 -9.435 -0.783 6.575 1.00 0.00 C ATOM 234 C LYS A 15 -8.294 -1.288 5.694 1.00 0.00 C ATOM 235 O LYS A 15 -7.149 -1.378 6.139 1.00 0.00 O ATOM 236 CB LYS A 15 -9.786 -1.830 7.632 1.00 0.00 C ATOM 237 CG LYS A 15 -9.057 -1.631 8.951 1.00 0.00 C ATOM 238 CD LYS A 15 -9.771 -2.333 10.095 1.00 0.00 C ATOM 239 CE LYS A 15 -9.339 -1.783 11.443 1.00 0.00 C ATOM 240 NZ LYS A 15 -10.502 -1.340 12.261 1.00 0.00 N ATOM 0 H LYS A 15 -11.388 -1.110 5.888 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.110 0.128 7.077 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -10.861 -1.805 7.813 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -9.551 -2.820 7.242 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.040 -2.013 8.867 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -8.980 -0.566 9.168 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.848 -2.213 9.981 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -9.563 -3.402 10.054 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.784 -2.548 11.986 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.661 -0.943 11.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.165 -0.971 13.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.018 -0.592 11.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.137 -2.147 12.427 1.00 0.00 H new ATOM 254 N GLU A 16 -8.611 -1.615 4.440 1.00 0.00 N ATOM 255 CA GLU A 16 -7.612 -2.107 3.504 1.00 0.00 C ATOM 256 C GLU A 16 -6.905 -0.950 2.811 1.00 0.00 C ATOM 257 O GLU A 16 -5.725 -1.048 2.480 1.00 0.00 O ATOM 258 CB GLU A 16 -8.261 -3.023 2.465 1.00 0.00 C ATOM 259 CG GLU A 16 -7.274 -3.596 1.461 1.00 0.00 C ATOM 260 CD GLU A 16 -6.606 -4.863 1.957 1.00 0.00 C ATOM 261 OE1 GLU A 16 -6.544 -5.057 3.189 1.00 0.00 O ATOM 262 OE2 GLU A 16 -6.145 -5.661 1.113 1.00 0.00 O ATOM 0 H GLU A 16 -9.553 -1.546 4.054 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.872 -2.678 4.065 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.763 -3.843 2.978 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.029 -2.465 1.930 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.793 -3.806 0.526 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.511 -2.850 1.241 1.00 0.00 H new ATOM 269 N ILE A 17 -7.624 0.151 2.598 1.00 0.00 N ATOM 270 CA ILE A 17 -7.039 1.320 1.951 1.00 0.00 C ATOM 271 C ILE A 17 -6.162 2.088 2.933 1.00 0.00 C ATOM 272 O ILE A 17 -5.102 2.597 2.568 1.00 0.00 O ATOM 273 CB ILE A 17 -8.125 2.257 1.378 1.00 0.00 C ATOM 274 CG1 ILE A 17 -7.491 3.510 0.758 1.00 0.00 C ATOM 275 CG2 ILE A 17 -9.136 2.629 2.455 1.00 0.00 C ATOM 276 CD1 ILE A 17 -7.106 4.578 1.763 1.00 0.00 C ATOM 0 H ILE A 17 -8.604 0.256 2.862 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.428 0.963 1.122 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.655 1.725 0.588 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.602 3.215 0.201 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -8.190 3.939 0.040 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.893 3.289 2.031 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -9.614 1.725 2.833 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.626 3.139 3.272 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.666 5.427 1.241 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.994 4.905 2.304 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.381 4.170 2.468 1.00 0.00 H new ATOM 288 N GLU A 18 -6.603 2.155 4.184 1.00 0.00 N ATOM 289 CA GLU A 18 -5.848 2.847 5.219 1.00 0.00 C ATOM 290 C GLU A 18 -4.665 2.000 5.671 1.00 0.00 C ATOM 291 O GLU A 18 -3.580 2.518 5.938 1.00 0.00 O ATOM 292 CB GLU A 18 -6.749 3.170 6.413 1.00 0.00 C ATOM 293 CG GLU A 18 -6.663 4.618 6.867 1.00 0.00 C ATOM 294 CD GLU A 18 -5.527 4.856 7.842 1.00 0.00 C ATOM 295 OE1 GLU A 18 -4.415 4.344 7.594 1.00 0.00 O ATOM 296 OE2 GLU A 18 -5.748 5.555 8.852 1.00 0.00 O ATOM 0 H GLU A 18 -7.478 1.739 4.504 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.471 3.781 4.802 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.782 2.941 6.150 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.481 2.520 7.246 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.531 5.261 5.997 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.605 4.905 7.335 1.00 0.00 H new ATOM 303 N ARG A 19 -4.881 0.690 5.747 1.00 0.00 N ATOM 304 CA ARG A 19 -3.833 -0.233 6.160 1.00 0.00 C ATOM 305 C ARG A 19 -2.797 -0.398 5.056 1.00 0.00 C ATOM 306 O ARG A 19 -1.621 -0.643 5.327 1.00 0.00 O ATOM 307 CB ARG A 19 -4.432 -1.592 6.524 1.00 0.00 C ATOM 308 CG ARG A 19 -3.395 -2.620 6.946 1.00 0.00 C ATOM 309 CD ARG A 19 -3.490 -2.929 8.432 1.00 0.00 C ATOM 310 NE ARG A 19 -2.175 -2.976 9.066 1.00 0.00 N ATOM 311 CZ ARG A 19 -1.970 -3.412 10.304 1.00 0.00 C ATOM 312 NH1 ARG A 19 -2.990 -3.837 11.037 1.00 0.00 N ATOM 313 NH2 ARG A 19 -0.745 -3.424 10.811 1.00 0.00 N ATOM 0 H ARG A 19 -5.772 0.246 5.528 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.341 0.182 7.040 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.150 -1.458 7.334 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.986 -1.977 5.668 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.535 -3.537 6.373 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.397 -2.248 6.714 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.102 -2.171 8.922 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.994 -3.885 8.572 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.369 -2.656 8.528 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -3.934 -3.830 10.650 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -2.831 -4.171 11.987 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.042 -3.098 10.250 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -0.590 -3.759 11.762 1.00 0.00 H new ATOM 327 N LEU A 20 -3.236 -0.254 3.808 1.00 0.00 N ATOM 328 CA LEU A 20 -2.336 -0.379 2.671 1.00 0.00 C ATOM 329 C LEU A 20 -1.413 0.829 2.602 1.00 0.00 C ATOM 330 O LEU A 20 -0.228 0.700 2.299 1.00 0.00 O ATOM 331 CB LEU A 20 -3.128 -0.509 1.369 1.00 0.00 C ATOM 332 CG LEU A 20 -3.371 -1.945 0.892 1.00 0.00 C ATOM 333 CD1 LEU A 20 -2.130 -2.496 0.208 1.00 0.00 C ATOM 334 CD2 LEU A 20 -3.782 -2.839 2.054 1.00 0.00 C ATOM 0 H LEU A 20 -4.205 -0.052 3.562 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.736 -1.279 2.802 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.093 -0.019 1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.598 0.032 0.585 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.187 -1.930 0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.320 -3.516 -0.124 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.883 -1.874 -0.653 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.296 -2.493 0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.949 -3.853 1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.991 -2.847 2.804 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.701 -2.457 2.500 1.00 0.00 H new ATOM 346 N GLN A 21 -1.966 2.003 2.896 1.00 0.00 N ATOM 347 CA GLN A 21 -1.190 3.236 2.877 1.00 0.00 C ATOM 348 C GLN A 21 -0.067 3.177 3.906 1.00 0.00 C ATOM 349 O GLN A 21 1.083 3.498 3.604 1.00 0.00 O ATOM 350 CB GLN A 21 -2.095 4.438 3.158 1.00 0.00 C ATOM 351 CG GLN A 21 -1.716 5.681 2.371 1.00 0.00 C ATOM 352 CD GLN A 21 -2.299 6.948 2.966 1.00 0.00 C ATOM 353 OE1 GLN A 21 -1.592 7.936 3.166 1.00 0.00 O ATOM 354 NE2 GLN A 21 -3.595 6.924 3.255 1.00 0.00 N ATOM 0 H GLN A 21 -2.946 2.125 3.149 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.750 3.349 1.886 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.125 4.170 2.923 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.060 4.668 4.223 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -0.630 5.767 2.335 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -2.061 5.575 1.343 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -4.143 6.083 3.072 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -4.043 7.746 3.660 1.00 0.00 H new ATOM 363 N LYS A 22 -0.405 2.760 5.123 1.00 0.00 N ATOM 364 CA LYS A 22 0.581 2.655 6.191 1.00 0.00 C ATOM 365 C LYS A 22 1.652 1.629 5.835 1.00 0.00 C ATOM 366 O LYS A 22 2.818 1.778 6.202 1.00 0.00 O ATOM 367 CB LYS A 22 -0.097 2.268 7.506 1.00 0.00 C ATOM 368 CG LYS A 22 0.356 3.102 8.693 1.00 0.00 C ATOM 369 CD LYS A 22 1.584 2.503 9.358 1.00 0.00 C ATOM 370 CE LYS A 22 1.208 1.399 10.332 1.00 0.00 C ATOM 371 NZ LYS A 22 2.302 0.402 10.491 1.00 0.00 N ATOM 0 H LYS A 22 -1.351 2.490 5.392 1.00 0.00 H new ATOM 0 HA LYS A 22 1.057 3.628 6.312 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.176 2.369 7.392 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.104 1.217 7.713 1.00 0.00 H new ATOM 0 HG2 LYS A 22 0.578 4.117 8.362 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.454 3.174 9.419 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.254 2.105 8.596 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.131 3.284 9.886 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.971 1.836 11.302 1.00 0.00 H new ATOM 0 HE3 LYS A 22 0.307 0.896 9.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.006 -0.334 11.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.511 -0.034 9.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.155 0.877 10.851 1.00 0.00 H new ATOM 385 N GLU A 23 1.245 0.588 5.116 1.00 0.00 N ATOM 386 CA GLU A 23 2.165 -0.466 4.705 1.00 0.00 C ATOM 387 C GLU A 23 3.186 0.060 3.701 1.00 0.00 C ATOM 388 O GLU A 23 4.351 -0.341 3.719 1.00 0.00 O ATOM 389 CB GLU A 23 1.392 -1.638 4.097 1.00 0.00 C ATOM 390 CG GLU A 23 2.058 -2.986 4.319 1.00 0.00 C ATOM 391 CD GLU A 23 1.924 -3.475 5.749 1.00 0.00 C ATOM 392 OE1 GLU A 23 1.783 -2.626 6.655 1.00 0.00 O ATOM 393 OE2 GLU A 23 1.958 -4.705 5.961 1.00 0.00 O ATOM 0 H GLU A 23 0.283 0.452 4.806 1.00 0.00 H new ATOM 0 HA GLU A 23 2.699 -0.811 5.590 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.390 -1.662 4.525 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.278 -1.471 3.026 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.617 -3.720 3.645 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.115 -2.912 4.062 1.00 0.00 H new ATOM 400 N ILE A 24 2.746 0.962 2.828 1.00 0.00 N ATOM 401 CA ILE A 24 3.635 1.536 1.824 1.00 0.00 C ATOM 402 C ILE A 24 4.718 2.377 2.501 1.00 0.00 C ATOM 403 O ILE A 24 5.887 2.334 2.117 1.00 0.00 O ATOM 404 CB ILE A 24 2.861 2.373 0.752 1.00 0.00 C ATOM 405 CG1 ILE A 24 2.793 3.866 1.108 1.00 0.00 C ATOM 406 CG2 ILE A 24 1.453 1.827 0.551 1.00 0.00 C ATOM 407 CD1 ILE A 24 4.038 4.629 0.711 1.00 0.00 C ATOM 0 H ILE A 24 1.787 1.309 2.795 1.00 0.00 H new ATOM 0 HA ILE A 24 4.108 0.711 1.292 1.00 0.00 H new ATOM 0 HB ILE A 24 3.422 2.280 -0.178 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.929 4.312 0.616 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.637 3.970 2.182 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.934 2.425 -0.199 1.00 0.00 H new ATOM 0 HG22 ILE A 24 1.509 0.792 0.214 1.00 0.00 H new ATOM 0 HG23 ILE A 24 0.907 1.873 1.493 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.927 5.677 0.990 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.902 4.207 1.224 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.183 4.553 -0.367 1.00 0.00 H new ATOM 419 N GLU A 25 4.313 3.134 3.517 1.00 0.00 N ATOM 420 CA GLU A 25 5.238 3.979 4.259 1.00 0.00 C ATOM 421 C GLU A 25 6.345 3.138 4.882 1.00 0.00 C ATOM 422 O GLU A 25 7.518 3.506 4.839 1.00 0.00 O ATOM 423 CB GLU A 25 4.494 4.756 5.347 1.00 0.00 C ATOM 424 CG GLU A 25 5.324 5.861 5.981 1.00 0.00 C ATOM 425 CD GLU A 25 5.033 7.224 5.386 1.00 0.00 C ATOM 426 OE1 GLU A 25 5.019 7.338 4.142 1.00 0.00 O ATOM 427 OE2 GLU A 25 4.818 8.177 6.163 1.00 0.00 O ATOM 0 H GLU A 25 3.348 3.178 3.844 1.00 0.00 H new ATOM 0 HA GLU A 25 5.687 4.689 3.565 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.591 5.191 4.918 1.00 0.00 H new ATOM 0 HB3 GLU A 25 4.175 4.061 6.124 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.128 5.888 7.053 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.382 5.633 5.856 1.00 0.00 H new ATOM 434 N ARG A 26 5.964 1.999 5.453 1.00 0.00 N ATOM 435 CA ARG A 26 6.928 1.101 6.074 1.00 0.00 C ATOM 436 C ARG A 26 8.008 0.718 5.072 1.00 0.00 C ATOM 437 O ARG A 26 9.204 0.837 5.351 1.00 0.00 O ATOM 438 CB ARG A 26 6.227 -0.155 6.597 1.00 0.00 C ATOM 439 CG ARG A 26 7.168 -1.141 7.268 1.00 0.00 C ATOM 440 CD ARG A 26 6.562 -1.714 8.539 1.00 0.00 C ATOM 441 NE ARG A 26 6.722 -0.814 9.677 1.00 0.00 N ATOM 442 CZ ARG A 26 6.605 -1.199 10.944 1.00 0.00 C ATOM 443 NH1 ARG A 26 6.329 -2.463 11.231 1.00 0.00 N ATOM 444 NH2 ARG A 26 6.766 -0.320 11.924 1.00 0.00 N ATOM 0 H ARG A 26 4.997 1.678 5.498 1.00 0.00 H new ATOM 0 HA ARG A 26 7.392 1.617 6.915 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.455 0.139 7.308 1.00 0.00 H new ATOM 0 HB3 ARG A 26 5.724 -0.652 5.768 1.00 0.00 H new ATOM 0 HG2 ARG A 26 7.400 -1.951 6.577 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.109 -0.644 7.504 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.502 -1.910 8.378 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.032 -2.671 8.765 1.00 0.00 H new ATOM 0 HE ARG A 26 6.936 0.166 9.489 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.206 -3.142 10.479 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.239 -2.757 12.203 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.980 0.653 11.706 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.676 -0.617 12.896 1.00 0.00 H new ATOM 458 N HIS A 27 7.580 0.271 3.896 1.00 0.00 N ATOM 459 CA HIS A 27 8.511 -0.114 2.846 1.00 0.00 C ATOM 460 C HIS A 27 9.348 1.084 2.413 1.00 0.00 C ATOM 461 O HIS A 27 10.460 0.929 1.911 1.00 0.00 O ATOM 462 CB HIS A 27 7.757 -0.692 1.647 1.00 0.00 C ATOM 463 CG HIS A 27 7.700 -2.189 1.645 1.00 0.00 C ATOM 464 ND1 HIS A 27 8.819 -2.984 1.785 1.00 0.00 N ATOM 465 CD2 HIS A 27 6.651 -3.036 1.521 1.00 0.00 C ATOM 466 CE1 HIS A 27 8.459 -4.255 1.746 1.00 0.00 C ATOM 467 NE2 HIS A 27 7.151 -4.313 1.587 1.00 0.00 N ATOM 0 H HIS A 27 6.596 0.167 3.648 1.00 0.00 H new ATOM 0 HA HIS A 27 9.177 -0.881 3.241 1.00 0.00 H new ATOM 0 HB2 HIS A 27 6.741 -0.297 1.642 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.236 -0.353 0.728 1.00 0.00 H new ATOM 0 HD2 HIS A 27 5.615 -2.759 1.394 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.123 -5.102 1.830 1.00 0.00 H new ATOM 0 HE2 HIS A 27 6.600 -5.169 1.523 1.00 0.00 H new ATOM 476 N LYS A 28 8.805 2.283 2.620 1.00 0.00 N ATOM 477 CA LYS A 28 9.501 3.512 2.260 1.00 0.00 C ATOM 478 C LYS A 28 10.627 3.800 3.245 1.00 0.00 C ATOM 479 O LYS A 28 11.641 4.400 2.889 1.00 0.00 O ATOM 480 CB LYS A 28 8.521 4.687 2.233 1.00 0.00 C ATOM 481 CG LYS A 28 9.050 5.902 1.488 1.00 0.00 C ATOM 482 CD LYS A 28 8.660 7.196 2.185 1.00 0.00 C ATOM 483 CE LYS A 28 9.739 7.656 3.151 1.00 0.00 C ATOM 484 NZ LYS A 28 10.990 8.045 2.444 1.00 0.00 N ATOM 0 H LYS A 28 7.885 2.427 3.036 1.00 0.00 H new ATOM 0 HA LYS A 28 9.931 3.383 1.267 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.590 4.363 1.768 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.282 4.974 3.257 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.136 5.840 1.414 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.660 5.904 0.470 1.00 0.00 H new ATOM 0 HD2 LYS A 28 8.482 7.972 1.441 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.724 7.052 2.725 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.371 8.503 3.729 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.956 6.857 3.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.802 7.569 2.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.926 7.762 1.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.117 9.075 2.505 1.00 0.00 H new ATOM 498 N GLN A 29 10.441 3.364 4.487 1.00 0.00 N ATOM 499 CA GLN A 29 11.440 3.571 5.528 1.00 0.00 C ATOM 500 C GLN A 29 12.608 2.608 5.356 1.00 0.00 C ATOM 501 O GLN A 29 13.748 2.933 5.686 1.00 0.00 O ATOM 502 CB GLN A 29 10.812 3.391 6.911 1.00 0.00 C ATOM 503 CG GLN A 29 11.632 4.001 8.036 1.00 0.00 C ATOM 504 CD GLN A 29 10.803 4.883 8.950 1.00 0.00 C ATOM 505 OE1 GLN A 29 9.917 5.606 8.496 1.00 0.00 O ATOM 506 NE2 GLN A 29 11.088 4.826 10.245 1.00 0.00 N ATOM 0 H GLN A 29 9.607 2.865 4.797 1.00 0.00 H new ATOM 0 HA GLN A 29 11.816 4.590 5.440 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.819 3.841 6.911 1.00 0.00 H new ATOM 0 HB3 GLN A 29 10.680 2.327 7.105 1.00 0.00 H new ATOM 0 HG2 GLN A 29 12.088 3.203 8.622 1.00 0.00 H new ATOM 0 HG3 GLN A 29 12.446 4.588 7.610 1.00 0.00 H new ATOM 0 HE21 GLN A 29 11.832 4.212 10.577 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.563 5.396 10.908 1.00 0.00 H new ATOM 515 N SER A 30 12.317 1.419 4.836 1.00 0.00 N ATOM 516 CA SER A 30 13.348 0.410 4.619 1.00 0.00 C ATOM 517 C SER A 30 14.177 0.738 3.380 1.00 0.00 C ATOM 518 O SER A 30 15.393 0.554 3.370 1.00 0.00 O ATOM 519 CB SER A 30 12.714 -0.974 4.472 1.00 0.00 C ATOM 520 OG SER A 30 12.412 -1.534 5.738 1.00 0.00 O ATOM 0 H SER A 30 11.379 1.132 4.558 1.00 0.00 H new ATOM 0 HA SER A 30 14.008 0.408 5.486 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.803 -0.899 3.878 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.394 -1.633 3.932 1.00 0.00 H new ATOM 0 HG SER A 30 12.006 -2.418 5.616 1.00 0.00 H new ATOM 526 N ILE A 31 13.510 1.228 2.341 1.00 0.00 N ATOM 527 CA ILE A 31 14.182 1.588 1.097 1.00 0.00 C ATOM 528 C ILE A 31 14.937 2.905 1.253 1.00 0.00 C ATOM 529 O ILE A 31 15.949 3.133 0.591 1.00 0.00 O ATOM 530 CB ILE A 31 13.170 1.698 -0.065 1.00 0.00 C ATOM 531 CG1 ILE A 31 13.840 2.190 -1.354 1.00 0.00 C ATOM 532 CG2 ILE A 31 12.026 2.625 0.317 1.00 0.00 C ATOM 533 CD1 ILE A 31 14.587 1.111 -2.103 1.00 0.00 C ATOM 0 H ILE A 31 12.502 1.385 2.335 1.00 0.00 H new ATOM 0 HA ILE A 31 14.896 0.798 0.864 1.00 0.00 H new ATOM 0 HB ILE A 31 12.775 0.700 -0.254 1.00 0.00 H new ATOM 0 HG12 ILE A 31 13.079 2.614 -2.009 1.00 0.00 H new ATOM 0 HG13 ILE A 31 14.533 2.995 -1.108 1.00 0.00 H new ATOM 0 HG21 ILE A 31 11.321 2.693 -0.511 1.00 0.00 H new ATOM 0 HG22 ILE A 31 11.516 2.231 1.196 1.00 0.00 H new ATOM 0 HG23 ILE A 31 12.420 3.616 0.540 1.00 0.00 H new ATOM 0 HD11 ILE A 31 15.033 1.535 -3.003 1.00 0.00 H new ATOM 0 HD12 ILE A 31 15.372 0.703 -1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 31 13.895 0.316 -2.381 1.00 0.00 H new ATOM 545 N LYS A 32 14.441 3.767 2.134 1.00 0.00 N ATOM 546 CA LYS A 32 15.073 5.058 2.377 1.00 0.00 C ATOM 547 C LYS A 32 16.273 4.909 3.305 1.00 0.00 C ATOM 548 O LYS A 32 17.268 5.622 3.170 1.00 0.00 O ATOM 549 CB LYS A 32 14.064 6.038 2.980 1.00 0.00 C ATOM 550 CG LYS A 32 14.511 7.489 2.911 1.00 0.00 C ATOM 551 CD LYS A 32 14.099 8.136 1.598 1.00 0.00 C ATOM 552 CE LYS A 32 15.262 8.206 0.623 1.00 0.00 C ATOM 553 NZ LYS A 32 16.231 9.277 0.989 1.00 0.00 N ATOM 0 H LYS A 32 13.604 3.595 2.691 1.00 0.00 H new ATOM 0 HA LYS A 32 15.422 5.450 1.422 1.00 0.00 H new ATOM 0 HB2 LYS A 32 13.113 5.934 2.458 1.00 0.00 H new ATOM 0 HB3 LYS A 32 13.887 5.770 4.022 1.00 0.00 H new ATOM 0 HG2 LYS A 32 14.078 8.044 3.743 1.00 0.00 H new ATOM 0 HG3 LYS A 32 15.594 7.543 3.021 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.282 7.568 1.152 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.722 9.141 1.789 1.00 0.00 H new ATOM 0 HE2 LYS A 32 15.775 7.245 0.601 1.00 0.00 H new ATOM 0 HE3 LYS A 32 14.882 8.388 -0.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 16.973 9.337 0.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 15.734 10.188 1.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 16.664 9.054 1.908 1.00 0.00 H new ATOM 567 N LYS A 33 16.175 3.977 4.248 1.00 0.00 N ATOM 568 CA LYS A 33 17.256 3.734 5.196 1.00 0.00 C ATOM 569 C LYS A 33 18.358 2.901 4.553 1.00 0.00 C ATOM 570 O LYS A 33 19.531 3.024 4.906 1.00 0.00 O ATOM 571 CB LYS A 33 16.722 3.026 6.441 1.00 0.00 C ATOM 572 CG LYS A 33 17.813 2.595 7.410 1.00 0.00 C ATOM 573 CD LYS A 33 17.240 1.813 8.581 1.00 0.00 C ATOM 574 CE LYS A 33 18.319 1.026 9.306 1.00 0.00 C ATOM 575 NZ LYS A 33 17.832 -0.311 9.745 1.00 0.00 N ATOM 0 H LYS A 33 15.359 3.379 4.376 1.00 0.00 H new ATOM 0 HA LYS A 33 17.675 4.696 5.490 1.00 0.00 H new ATOM 0 HB2 LYS A 33 16.030 3.690 6.958 1.00 0.00 H new ATOM 0 HB3 LYS A 33 16.153 2.149 6.134 1.00 0.00 H new ATOM 0 HG2 LYS A 33 18.546 1.982 6.885 1.00 0.00 H new ATOM 0 HG3 LYS A 33 18.340 3.474 7.781 1.00 0.00 H new ATOM 0 HD2 LYS A 33 16.759 2.499 9.278 1.00 0.00 H new ATOM 0 HD3 LYS A 33 16.469 1.131 8.222 1.00 0.00 H new ATOM 0 HE2 LYS A 33 19.180 0.901 8.649 1.00 0.00 H new ATOM 0 HE3 LYS A 33 18.659 1.591 10.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 18.598 -0.816 10.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 17.026 -0.192 10.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 17.531 -0.861 8.915 1.00 0.00 H new ATOM 589 N LEU A 34 17.973 2.057 3.603 1.00 0.00 N ATOM 590 CA LEU A 34 18.927 1.207 2.904 1.00 0.00 C ATOM 591 C LEU A 34 19.678 2.003 1.844 1.00 0.00 C ATOM 592 O LEU A 34 20.848 1.739 1.567 1.00 0.00 O ATOM 593 CB LEU A 34 18.209 0.019 2.260 1.00 0.00 C ATOM 594 CG LEU A 34 18.273 -1.285 3.057 1.00 0.00 C ATOM 595 CD1 LEU A 34 17.092 -2.179 2.713 1.00 0.00 C ATOM 596 CD2 LEU A 34 19.585 -2.007 2.794 1.00 0.00 C ATOM 0 H LEU A 34 17.006 1.944 3.299 1.00 0.00 H new ATOM 0 HA LEU A 34 19.647 0.831 3.630 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.163 0.284 2.110 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.639 -0.154 1.273 1.00 0.00 H new ATOM 0 HG LEU A 34 18.222 -1.042 4.118 1.00 0.00 H new ATOM 0 HD11 LEU A 34 17.154 -3.102 3.289 1.00 0.00 H new ATOM 0 HD12 LEU A 34 16.163 -1.663 2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 34 17.111 -2.414 1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 34 19.613 -2.932 3.369 1.00 0.00 H new ATOM 0 HD22 LEU A 34 19.667 -2.238 1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 34 20.417 -1.369 3.092 1.00 0.00 H new ATOM 608 N LYS A 35 18.998 2.983 1.256 1.00 0.00 N ATOM 609 CA LYS A 35 19.604 3.821 0.228 1.00 0.00 C ATOM 610 C LYS A 35 20.578 4.814 0.852 1.00 0.00 C ATOM 611 O LYS A 35 21.629 5.110 0.281 1.00 0.00 O ATOM 612 CB LYS A 35 18.524 4.570 -0.555 1.00 0.00 C ATOM 613 CG LYS A 35 18.898 4.838 -2.003 1.00 0.00 C ATOM 614 CD LYS A 35 17.967 5.857 -2.640 1.00 0.00 C ATOM 615 CE LYS A 35 16.752 5.188 -3.262 1.00 0.00 C ATOM 616 NZ LYS A 35 17.137 4.117 -4.222 1.00 0.00 N ATOM 0 H LYS A 35 18.029 3.216 1.474 1.00 0.00 H new ATOM 0 HA LYS A 35 20.153 3.176 -0.458 1.00 0.00 H new ATOM 0 HB2 LYS A 35 17.601 3.992 -0.528 1.00 0.00 H new ATOM 0 HB3 LYS A 35 18.320 5.519 -0.059 1.00 0.00 H new ATOM 0 HG2 LYS A 35 19.925 5.200 -2.053 1.00 0.00 H new ATOM 0 HG3 LYS A 35 18.861 3.907 -2.568 1.00 0.00 H new ATOM 0 HD2 LYS A 35 17.643 6.576 -1.887 1.00 0.00 H new ATOM 0 HD3 LYS A 35 18.506 6.417 -3.404 1.00 0.00 H new ATOM 0 HE2 LYS A 35 16.129 4.763 -2.475 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.149 5.937 -3.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 16.412 4.039 -4.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 18.053 4.352 -4.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.215 3.211 -3.718 1.00 0.00 H new ATOM 630 N GLN A 36 20.227 5.323 2.029 1.00 0.00 N ATOM 631 CA GLN A 36 21.074 6.279 2.730 1.00 0.00 C ATOM 632 C GLN A 36 22.300 5.584 3.312 1.00 0.00 C ATOM 633 O GLN A 36 23.384 6.166 3.376 1.00 0.00 O ATOM 634 CB GLN A 36 20.288 6.972 3.843 1.00 0.00 C ATOM 635 CG GLN A 36 21.136 7.893 4.705 1.00 0.00 C ATOM 636 CD GLN A 36 21.509 9.178 3.993 1.00 0.00 C ATOM 637 OE1 GLN A 36 20.780 10.169 4.050 1.00 0.00 O ATOM 638 NE2 GLN A 36 22.650 9.168 3.314 1.00 0.00 N ATOM 0 H GLN A 36 19.362 5.089 2.516 1.00 0.00 H new ATOM 0 HA GLN A 36 21.406 7.030 2.013 1.00 0.00 H new ATOM 0 HB2 GLN A 36 19.477 7.549 3.398 1.00 0.00 H new ATOM 0 HB3 GLN A 36 19.829 6.214 4.478 1.00 0.00 H new ATOM 0 HG2 GLN A 36 20.592 8.133 5.618 1.00 0.00 H new ATOM 0 HG3 GLN A 36 22.045 7.370 5.004 1.00 0.00 H new ATOM 0 HE21 GLN A 36 23.224 8.325 3.293 1.00 0.00 H new ATOM 0 HE22 GLN A 36 22.953 10.003 2.813 1.00 0.00 H new ATOM 647 N SER A 37 22.122 4.336 3.730 1.00 0.00 N ATOM 648 CA SER A 37 23.214 3.559 4.303 1.00 0.00 C ATOM 649 C SER A 37 24.244 3.210 3.235 1.00 0.00 C ATOM 650 O SER A 37 25.431 3.068 3.525 1.00 0.00 O ATOM 651 CB SER A 37 22.676 2.281 4.948 1.00 0.00 C ATOM 652 OG SER A 37 21.973 2.570 6.144 1.00 0.00 O ATOM 0 H SER A 37 21.232 3.841 3.683 1.00 0.00 H new ATOM 0 HA SER A 37 23.699 4.165 5.069 1.00 0.00 H new ATOM 0 HB2 SER A 37 22.015 1.768 4.249 1.00 0.00 H new ATOM 0 HB3 SER A 37 23.502 1.603 5.163 1.00 0.00 H new ATOM 0 HG SER A 37 21.038 2.772 5.933 1.00 0.00 H new ATOM 658 N GLU A 38 23.781 3.076 1.996 1.00 0.00 N ATOM 659 CA GLU A 38 24.663 2.748 0.883 1.00 0.00 C ATOM 660 C GLU A 38 25.639 3.888 0.614 1.00 0.00 C ATOM 661 O GLU A 38 26.738 3.672 0.103 1.00 0.00 O ATOM 662 CB GLU A 38 23.845 2.452 -0.375 1.00 0.00 C ATOM 663 CG GLU A 38 24.091 1.066 -0.948 1.00 0.00 C ATOM 664 CD GLU A 38 23.688 0.958 -2.407 1.00 0.00 C ATOM 665 OE1 GLU A 38 22.862 1.781 -2.856 1.00 0.00 O ATOM 666 OE2 GLU A 38 24.198 0.052 -3.098 1.00 0.00 O ATOM 0 H GLU A 38 22.801 3.190 1.738 1.00 0.00 H new ATOM 0 HA GLU A 38 25.233 1.859 1.152 1.00 0.00 H new ATOM 0 HB2 GLU A 38 22.785 2.557 -0.142 1.00 0.00 H new ATOM 0 HB3 GLU A 38 24.080 3.197 -1.135 1.00 0.00 H new ATOM 0 HG2 GLU A 38 25.148 0.818 -0.847 1.00 0.00 H new ATOM 0 HG3 GLU A 38 23.534 0.332 -0.366 1.00 0.00 H new ATOM 673 N ASP A 39 25.230 5.104 0.963 1.00 0.00 N ATOM 674 CA ASP A 39 26.069 6.279 0.762 1.00 0.00 C ATOM 675 C ASP A 39 27.306 6.223 1.653 1.00 0.00 C ATOM 676 O ASP A 39 28.334 6.824 1.342 1.00 0.00 O ATOM 677 CB ASP A 39 25.275 7.554 1.052 1.00 0.00 C ATOM 678 CG ASP A 39 26.127 8.804 0.944 1.00 0.00 C ATOM 679 OD1 ASP A 39 27.097 8.794 0.156 1.00 0.00 O ATOM 680 OD2 ASP A 39 25.825 9.791 1.646 1.00 0.00 O ATOM 0 H ASP A 39 24.323 5.301 1.386 1.00 0.00 H new ATOM 0 HA ASP A 39 26.393 6.290 -0.279 1.00 0.00 H new ATOM 0 HB2 ASP A 39 24.440 7.625 0.355 1.00 0.00 H new ATOM 0 HB3 ASP A 39 24.849 7.493 2.054 1.00 0.00 H new ATOM 685 N ASP A 40 27.199 5.497 2.761 1.00 0.00 N ATOM 686 CA ASP A 40 28.310 5.361 3.698 1.00 0.00 C ATOM 687 C ASP A 40 28.550 6.665 4.450 1.00 0.00 C ATOM 688 O ASP A 40 28.259 7.749 3.944 1.00 0.00 O ATOM 689 CB ASP A 40 29.582 4.942 2.959 1.00 0.00 C ATOM 690 CG ASP A 40 30.273 3.764 3.619 1.00 0.00 C ATOM 691 OD1 ASP A 40 29.823 3.344 4.706 1.00 0.00 O ATOM 692 OD2 ASP A 40 31.262 3.260 3.047 1.00 0.00 O ATOM 0 H ASP A 40 26.355 4.994 3.033 1.00 0.00 H new ATOM 0 HA ASP A 40 28.049 4.588 4.421 1.00 0.00 H new ATOM 0 HB2 ASP A 40 29.333 4.683 1.930 1.00 0.00 H new ATOM 0 HB3 ASP A 40 30.270 5.787 2.918 1.00 0.00 H new ATOM 697 N ASP A 41 29.085 6.553 5.662 1.00 0.00 N ATOM 698 CA ASP A 41 29.366 7.724 6.485 1.00 0.00 C ATOM 699 C ASP A 41 30.841 8.104 6.406 1.00 0.00 C ATOM 700 O ASP A 41 31.152 9.137 5.776 1.00 0.00 O ATOM 701 CB ASP A 41 28.974 7.457 7.939 1.00 0.00 C ATOM 702 CG ASP A 41 28.085 8.546 8.508 1.00 0.00 C ATOM 703 OD1 ASP A 41 27.199 9.033 7.774 1.00 0.00 O ATOM 704 OD2 ASP A 41 28.274 8.911 9.687 1.00 0.00 O ATOM 705 OXT ASP A 41 31.673 7.365 6.974 1.00 0.00 O ATOM 0 H ASP A 41 29.332 5.664 6.096 1.00 0.00 H new ATOM 0 HA ASP A 41 28.774 8.556 6.103 1.00 0.00 H new ATOM 0 HB2 ASP A 41 28.457 6.500 8.003 1.00 0.00 H new ATOM 0 HB3 ASP A 41 29.876 7.374 8.546 1.00 0.00 H new TER 710 ASP A 41 ATOM 711 N ALA B 1 33.162 -8.694 2.393 1.00 0.00 N ATOM 712 CA ALA B 1 31.781 -8.937 1.900 1.00 0.00 C ATOM 713 C ALA B 1 31.557 -8.267 0.550 1.00 0.00 C ATOM 714 O ALA B 1 32.251 -7.314 0.196 1.00 0.00 O ATOM 715 CB ALA B 1 30.765 -8.436 2.914 1.00 0.00 C ATOM 0 H1 ALA B 1 33.689 -9.590 2.405 1.00 0.00 H new ATOM 0 H2 ALA B 1 33.641 -8.019 1.764 1.00 0.00 H new ATOM 0 H3 ALA B 1 33.123 -8.303 3.356 1.00 0.00 H new ATOM 0 HA ALA B 1 31.650 -10.011 1.770 1.00 0.00 H new ATOM 0 HB1 ALA B 1 29.757 -8.620 2.541 1.00 0.00 H new ATOM 0 HB2 ALA B 1 30.904 -8.962 3.859 1.00 0.00 H new ATOM 0 HB3 ALA B 1 30.904 -7.366 3.071 1.00 0.00 H new ATOM 723 N LEU B 2 30.581 -8.769 -0.200 1.00 0.00 N ATOM 724 CA LEU B 2 30.264 -8.218 -1.512 1.00 0.00 C ATOM 725 C LEU B 2 29.112 -7.222 -1.420 1.00 0.00 C ATOM 726 O LEU B 2 29.023 -6.287 -2.213 1.00 0.00 O ATOM 727 CB LEU B 2 29.906 -9.342 -2.487 1.00 0.00 C ATOM 728 CG LEU B 2 30.659 -10.656 -2.266 1.00 0.00 C ATOM 729 CD1 LEU B 2 29.689 -11.770 -1.903 1.00 0.00 C ATOM 730 CD2 LEU B 2 31.460 -11.026 -3.505 1.00 0.00 C ATOM 0 H LEU B 2 29.996 -9.557 0.079 1.00 0.00 H new ATOM 0 HA LEU B 2 31.145 -7.693 -1.881 1.00 0.00 H new ATOM 0 HB2 LEU B 2 28.836 -9.538 -2.415 1.00 0.00 H new ATOM 0 HB3 LEU B 2 30.099 -8.997 -3.503 1.00 0.00 H new ATOM 0 HG LEU B 2 31.353 -10.521 -1.437 1.00 0.00 H new ATOM 0 HD11 LEU B 2 30.241 -12.697 -1.749 1.00 0.00 H new ATOM 0 HD12 LEU B 2 29.159 -11.507 -0.987 1.00 0.00 H new ATOM 0 HD13 LEU B 2 28.971 -11.905 -2.712 1.00 0.00 H new ATOM 0 HD21 LEU B 2 31.989 -11.963 -3.330 1.00 0.00 H new ATOM 0 HD22 LEU B 2 30.785 -11.143 -4.353 1.00 0.00 H new ATOM 0 HD23 LEU B 2 32.181 -10.237 -3.721 1.00 0.00 H new ATOM 742 N LYS B 3 28.232 -7.433 -0.445 1.00 0.00 N ATOM 743 CA LYS B 3 27.085 -6.554 -0.248 1.00 0.00 C ATOM 744 C LYS B 3 26.319 -6.357 -1.553 1.00 0.00 C ATOM 745 O LYS B 3 25.635 -5.351 -1.736 1.00 0.00 O ATOM 746 CB LYS B 3 27.541 -5.200 0.299 1.00 0.00 C ATOM 747 CG LYS B 3 26.982 -4.883 1.677 1.00 0.00 C ATOM 748 CD LYS B 3 28.054 -4.321 2.597 1.00 0.00 C ATOM 749 CE LYS B 3 27.856 -4.785 4.031 1.00 0.00 C ATOM 750 NZ LYS B 3 26.471 -4.523 4.513 1.00 0.00 N ATOM 0 H LYS B 3 28.292 -8.204 0.220 1.00 0.00 H new ATOM 0 HA LYS B 3 26.419 -7.024 0.475 1.00 0.00 H new ATOM 0 HB2 LYS B 3 28.630 -5.184 0.345 1.00 0.00 H new ATOM 0 HB3 LYS B 3 27.239 -4.416 -0.396 1.00 0.00 H new ATOM 0 HG2 LYS B 3 26.168 -4.165 1.584 1.00 0.00 H new ATOM 0 HG3 LYS B 3 26.561 -5.787 2.117 1.00 0.00 H new ATOM 0 HD2 LYS B 3 29.037 -4.633 2.245 1.00 0.00 H new ATOM 0 HD3 LYS B 3 28.033 -3.232 2.560 1.00 0.00 H new ATOM 0 HE2 LYS B 3 28.069 -5.852 4.100 1.00 0.00 H new ATOM 0 HE3 LYS B 3 28.569 -4.275 4.679 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 26.434 -4.645 5.545 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 26.197 -3.550 4.269 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 25.814 -5.191 4.061 1.00 0.00 H new ATOM 764 N LYS B 4 26.439 -7.324 -2.457 1.00 0.00 N ATOM 765 CA LYS B 4 25.756 -7.256 -3.743 1.00 0.00 C ATOM 766 C LYS B 4 24.270 -7.562 -3.586 1.00 0.00 C ATOM 767 O LYS B 4 23.423 -6.897 -4.181 1.00 0.00 O ATOM 768 CB LYS B 4 26.388 -8.236 -4.734 1.00 0.00 C ATOM 769 CG LYS B 4 26.130 -7.879 -6.189 1.00 0.00 C ATOM 770 CD LYS B 4 27.054 -8.646 -7.122 1.00 0.00 C ATOM 771 CE LYS B 4 27.444 -7.810 -8.330 1.00 0.00 C ATOM 772 NZ LYS B 4 28.208 -6.594 -7.942 1.00 0.00 N ATOM 0 H LYS B 4 27.003 -8.163 -2.322 1.00 0.00 H new ATOM 0 HA LYS B 4 25.862 -6.242 -4.129 1.00 0.00 H new ATOM 0 HB2 LYS B 4 27.464 -8.271 -4.562 1.00 0.00 H new ATOM 0 HB3 LYS B 4 26.002 -9.237 -4.540 1.00 0.00 H new ATOM 0 HG2 LYS B 4 25.092 -8.099 -6.440 1.00 0.00 H new ATOM 0 HG3 LYS B 4 26.273 -6.808 -6.333 1.00 0.00 H new ATOM 0 HD2 LYS B 4 27.951 -8.947 -6.581 1.00 0.00 H new ATOM 0 HD3 LYS B 4 26.561 -9.560 -7.454 1.00 0.00 H new ATOM 0 HE2 LYS B 4 28.044 -8.414 -9.010 1.00 0.00 H new ATOM 0 HE3 LYS B 4 26.546 -7.516 -8.873 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 28.865 -6.338 -8.707 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 27.548 -5.808 -7.774 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 28.747 -6.785 -7.073 1.00 0.00 H new ATOM 786 N HIS B 5 23.962 -8.571 -2.777 1.00 0.00 N ATOM 787 CA HIS B 5 22.579 -8.962 -2.538 1.00 0.00 C ATOM 788 C HIS B 5 21.778 -7.798 -1.964 1.00 0.00 C ATOM 789 O HIS B 5 20.557 -7.740 -2.110 1.00 0.00 O ATOM 790 CB HIS B 5 22.521 -10.156 -1.585 1.00 0.00 C ATOM 791 CG HIS B 5 23.365 -9.987 -0.361 1.00 0.00 C ATOM 792 ND1 HIS B 5 23.379 -9.010 0.578 1.00 0.00 N flip ATOM 793 CD2 HIS B 5 24.337 -10.890 0.015 1.00 0.00 C flip ATOM 794 CE1 HIS B 5 24.349 -9.340 1.491 1.00 0.00 C flip ATOM 795 NE2 HIS B 5 24.913 -10.477 1.131 1.00 0.00 N flip ATOM 0 H HIS B 5 24.652 -9.132 -2.277 1.00 0.00 H new ATOM 0 HA HIS B 5 22.138 -9.248 -3.493 1.00 0.00 H new ATOM 0 HB2 HIS B 5 21.486 -10.319 -1.283 1.00 0.00 H new ATOM 0 HB3 HIS B 5 22.843 -11.051 -2.117 1.00 0.00 H new ATOM 0 HD2 HIS B 5 24.589 -11.794 -0.519 1.00 0.00 H new ATOM 0 HE1 HIS B 5 24.609 -8.761 2.365 1.00 0.00 H new ATOM 0 HE2 HIS B 5 25.664 -10.955 1.628 1.00 0.00 H new ATOM 804 N HIS B 6 22.474 -6.873 -1.310 1.00 0.00 N ATOM 805 CA HIS B 6 21.827 -5.709 -0.716 1.00 0.00 C ATOM 806 C HIS B 6 21.180 -4.840 -1.787 1.00 0.00 C ATOM 807 O HIS B 6 20.096 -4.296 -1.585 1.00 0.00 O ATOM 808 CB HIS B 6 22.841 -4.887 0.083 1.00 0.00 C ATOM 809 CG HIS B 6 22.451 -4.684 1.515 1.00 0.00 C ATOM 810 ND1 HIS B 6 21.664 -5.573 2.215 1.00 0.00 N ATOM 811 CD2 HIS B 6 22.748 -3.685 2.380 1.00 0.00 C ATOM 812 CE1 HIS B 6 21.491 -5.131 3.447 1.00 0.00 C ATOM 813 NE2 HIS B 6 22.139 -3.988 3.572 1.00 0.00 N ATOM 0 H HIS B 6 23.485 -6.907 -1.178 1.00 0.00 H new ATOM 0 HA HIS B 6 21.047 -6.063 -0.042 1.00 0.00 H new ATOM 0 HB2 HIS B 6 23.810 -5.385 0.046 1.00 0.00 H new ATOM 0 HB3 HIS B 6 22.964 -3.914 -0.393 1.00 0.00 H new ATOM 0 HD2 HIS B 6 23.351 -2.814 2.171 1.00 0.00 H new ATOM 0 HE1 HIS B 6 20.918 -5.621 4.220 1.00 0.00 H new ATOM 0 HE2 HIS B 6 22.181 -3.421 4.419 1.00 0.00 H new ATOM 822 N GLU B 7 21.849 -4.716 -2.929 1.00 0.00 N ATOM 823 CA GLU B 7 21.332 -3.918 -4.032 1.00 0.00 C ATOM 824 C GLU B 7 20.047 -4.528 -4.581 1.00 0.00 C ATOM 825 O GLU B 7 19.212 -3.829 -5.154 1.00 0.00 O ATOM 826 CB GLU B 7 22.376 -3.808 -5.145 1.00 0.00 C ATOM 827 CG GLU B 7 23.426 -2.738 -4.892 1.00 0.00 C ATOM 828 CD GLU B 7 23.870 -2.045 -6.164 1.00 0.00 C ATOM 829 OE1 GLU B 7 24.450 -2.723 -7.039 1.00 0.00 O ATOM 830 OE2 GLU B 7 23.639 -0.823 -6.286 1.00 0.00 O ATOM 0 H GLU B 7 22.750 -5.158 -3.113 1.00 0.00 H new ATOM 0 HA GLU B 7 21.110 -2.919 -3.656 1.00 0.00 H new ATOM 0 HB2 GLU B 7 22.872 -4.771 -5.263 1.00 0.00 H new ATOM 0 HB3 GLU B 7 21.870 -3.593 -6.086 1.00 0.00 H new ATOM 0 HG2 GLU B 7 23.025 -1.997 -4.200 1.00 0.00 H new ATOM 0 HG3 GLU B 7 24.291 -3.191 -4.408 1.00 0.00 H new ATOM 837 N ASN B 8 19.893 -5.836 -4.396 1.00 0.00 N ATOM 838 CA ASN B 8 18.707 -6.539 -4.867 1.00 0.00 C ATOM 839 C ASN B 8 17.504 -6.200 -3.996 1.00 0.00 C ATOM 840 O ASN B 8 16.476 -5.736 -4.492 1.00 0.00 O ATOM 841 CB ASN B 8 18.946 -8.050 -4.865 1.00 0.00 C ATOM 842 CG ASN B 8 18.435 -8.719 -6.127 1.00 0.00 C ATOM 843 OD1 ASN B 8 17.284 -8.530 -6.521 1.00 0.00 O ATOM 844 ND2 ASN B 8 19.292 -9.504 -6.768 1.00 0.00 N ATOM 0 H ASN B 8 20.575 -6.429 -3.923 1.00 0.00 H new ATOM 0 HA ASN B 8 18.501 -6.217 -5.888 1.00 0.00 H new ATOM 0 HB2 ASN B 8 20.013 -8.246 -4.760 1.00 0.00 H new ATOM 0 HB3 ASN B 8 18.454 -8.492 -3.998 1.00 0.00 H new ATOM 0 HD21 ASN B 8 19.006 -9.980 -7.624 1.00 0.00 H new ATOM 0 HD22 ASN B 8 20.237 -9.632 -6.405 1.00 0.00 H new ATOM 851 N GLU B 9 17.642 -6.421 -2.692 1.00 0.00 N ATOM 852 CA GLU B 9 16.567 -6.123 -1.754 1.00 0.00 C ATOM 853 C GLU B 9 16.249 -4.631 -1.765 1.00 0.00 C ATOM 854 O GLU B 9 15.141 -4.219 -1.424 1.00 0.00 O ATOM 855 CB GLU B 9 16.955 -6.567 -0.342 1.00 0.00 C ATOM 856 CG GLU B 9 15.950 -7.510 0.297 1.00 0.00 C ATOM 857 CD GLU B 9 15.834 -8.828 -0.444 1.00 0.00 C ATOM 858 OE1 GLU B 9 15.474 -8.807 -1.640 1.00 0.00 O ATOM 859 OE2 GLU B 9 16.104 -9.881 0.171 1.00 0.00 O ATOM 0 H GLU B 9 18.484 -6.804 -2.263 1.00 0.00 H new ATOM 0 HA GLU B 9 15.678 -6.672 -2.063 1.00 0.00 H new ATOM 0 HB2 GLU B 9 17.928 -7.057 -0.379 1.00 0.00 H new ATOM 0 HB3 GLU B 9 17.066 -5.685 0.289 1.00 0.00 H new ATOM 0 HG2 GLU B 9 16.243 -7.702 1.329 1.00 0.00 H new ATOM 0 HG3 GLU B 9 14.973 -7.027 0.328 1.00 0.00 H new ATOM 866 N ILE B 10 17.233 -3.829 -2.164 1.00 0.00 N ATOM 867 CA ILE B 10 17.069 -2.385 -2.228 1.00 0.00 C ATOM 868 C ILE B 10 16.155 -2.007 -3.399 1.00 0.00 C ATOM 869 O ILE B 10 15.224 -1.217 -3.244 1.00 0.00 O ATOM 870 CB ILE B 10 18.471 -1.686 -2.311 1.00 0.00 C ATOM 871 CG1 ILE B 10 18.741 -0.905 -1.026 1.00 0.00 C ATOM 872 CG2 ILE B 10 18.637 -0.770 -3.527 1.00 0.00 C ATOM 873 CD1 ILE B 10 20.046 -1.278 -0.358 1.00 0.00 C ATOM 0 H ILE B 10 18.155 -4.160 -2.448 1.00 0.00 H new ATOM 0 HA ILE B 10 16.586 -2.031 -1.317 1.00 0.00 H new ATOM 0 HB ILE B 10 19.203 -2.485 -2.431 1.00 0.00 H new ATOM 0 HG12 ILE B 10 18.749 0.161 -1.253 1.00 0.00 H new ATOM 0 HG13 ILE B 10 17.922 -1.076 -0.327 1.00 0.00 H new ATOM 0 HG21 ILE B 10 19.632 -0.324 -3.514 1.00 0.00 H new ATOM 0 HG22 ILE B 10 18.512 -1.352 -4.440 1.00 0.00 H new ATOM 0 HG23 ILE B 10 17.885 0.019 -3.494 1.00 0.00 H new ATOM 0 HD11 ILE B 10 20.173 -0.685 0.548 1.00 0.00 H new ATOM 0 HD12 ILE B 10 20.033 -2.337 -0.100 1.00 0.00 H new ATOM 0 HD13 ILE B 10 20.873 -1.081 -1.040 1.00 0.00 H new ATOM 885 N SER B 11 16.429 -2.580 -4.565 1.00 0.00 N ATOM 886 CA SER B 11 15.632 -2.305 -5.754 1.00 0.00 C ATOM 887 C SER B 11 14.207 -2.824 -5.584 1.00 0.00 C ATOM 888 O SER B 11 13.276 -2.329 -6.220 1.00 0.00 O ATOM 889 CB SER B 11 16.276 -2.945 -6.985 1.00 0.00 C ATOM 890 OG SER B 11 17.227 -2.075 -7.573 1.00 0.00 O ATOM 0 H SER B 11 17.195 -3.237 -4.712 1.00 0.00 H new ATOM 0 HA SER B 11 15.593 -1.225 -5.894 1.00 0.00 H new ATOM 0 HB2 SER B 11 16.760 -3.880 -6.702 1.00 0.00 H new ATOM 0 HB3 SER B 11 15.505 -3.193 -7.715 1.00 0.00 H new ATOM 0 HG SER B 11 17.626 -2.508 -8.357 1.00 0.00 H new ATOM 896 N HIS B 12 14.043 -3.822 -4.721 1.00 0.00 N ATOM 897 CA HIS B 12 12.732 -4.404 -4.472 1.00 0.00 C ATOM 898 C HIS B 12 11.914 -3.504 -3.541 1.00 0.00 C ATOM 899 O HIS B 12 10.716 -3.315 -3.751 1.00 0.00 O ATOM 900 CB HIS B 12 12.898 -5.842 -3.923 1.00 0.00 C ATOM 901 CG HIS B 12 12.147 -6.156 -2.657 1.00 0.00 C ATOM 902 ND1 HIS B 12 12.593 -6.378 -1.400 1.00 0.00 N flip ATOM 903 CD2 HIS B 12 10.774 -6.273 -2.603 1.00 0.00 C flip ATOM 904 CE1 HIS B 12 11.492 -6.623 -0.616 1.00 0.00 C flip ATOM 905 NE2 HIS B 12 10.408 -6.553 -1.364 1.00 0.00 N flip ATOM 0 H HIS B 12 14.801 -4.243 -4.184 1.00 0.00 H new ATOM 0 HA HIS B 12 12.173 -4.473 -5.405 1.00 0.00 H new ATOM 0 HB2 HIS B 12 12.579 -6.543 -4.694 1.00 0.00 H new ATOM 0 HB3 HIS B 12 13.958 -6.022 -3.747 1.00 0.00 H new ATOM 0 HD2 HIS B 12 10.103 -6.155 -3.441 1.00 0.00 H new ATOM 0 HE1 HIS B 12 11.511 -6.838 0.442 1.00 0.00 H new ATOM 0 HE2 HIS B 12 9.450 -6.691 -1.041 1.00 0.00 H new ATOM 914 N HIS B 13 12.564 -2.944 -2.524 1.00 0.00 N ATOM 915 CA HIS B 13 11.876 -2.059 -1.590 1.00 0.00 C ATOM 916 C HIS B 13 11.451 -0.778 -2.296 1.00 0.00 C ATOM 917 O HIS B 13 10.474 -0.140 -1.910 1.00 0.00 O ATOM 918 CB HIS B 13 12.765 -1.711 -0.396 1.00 0.00 C ATOM 919 CG HIS B 13 13.423 -2.889 0.245 1.00 0.00 C ATOM 920 ND1 HIS B 13 12.864 -4.149 0.278 1.00 0.00 N ATOM 921 CD2 HIS B 13 14.607 -2.986 0.889 1.00 0.00 C ATOM 922 CE1 HIS B 13 13.677 -4.971 0.920 1.00 0.00 C ATOM 923 NE2 HIS B 13 14.742 -4.289 1.299 1.00 0.00 N ATOM 0 H HIS B 13 13.555 -3.085 -2.327 1.00 0.00 H new ATOM 0 HA HIS B 13 10.995 -2.585 -1.223 1.00 0.00 H new ATOM 0 HB2 HIS B 13 13.535 -1.013 -0.723 1.00 0.00 H new ATOM 0 HB3 HIS B 13 12.163 -1.194 0.352 1.00 0.00 H new ATOM 0 HD2 HIS B 13 15.315 -2.187 1.051 1.00 0.00 H new ATOM 0 HE1 HIS B 13 13.500 -6.021 1.103 1.00 0.00 H new ATOM 0 HE2 HIS B 13 15.537 -4.669 1.813 1.00 0.00 H new ATOM 932 N ALA B 14 12.195 -0.410 -3.338 1.00 0.00 N ATOM 933 CA ALA B 14 11.893 0.793 -4.103 1.00 0.00 C ATOM 934 C ALA B 14 10.626 0.595 -4.921 1.00 0.00 C ATOM 935 O ALA B 14 9.670 1.360 -4.799 1.00 0.00 O ATOM 936 CB ALA B 14 13.062 1.153 -5.008 1.00 0.00 C ATOM 0 H ALA B 14 13.009 -0.928 -3.669 1.00 0.00 H new ATOM 0 HA ALA B 14 11.730 1.616 -3.407 1.00 0.00 H new ATOM 0 HB1 ALA B 14 12.821 2.054 -5.573 1.00 0.00 H new ATOM 0 HB2 ALA B 14 13.950 1.332 -4.402 1.00 0.00 H new ATOM 0 HB3 ALA B 14 13.254 0.332 -5.699 1.00 0.00 H new ATOM 942 N LYS B 15 10.618 -0.449 -5.741 1.00 0.00 N ATOM 943 CA LYS B 15 9.455 -0.758 -6.561 1.00 0.00 C ATOM 944 C LYS B 15 8.307 -1.267 -5.690 1.00 0.00 C ATOM 945 O LYS B 15 7.165 -1.349 -6.141 1.00 0.00 O ATOM 946 CB LYS B 15 9.811 -1.802 -7.621 1.00 0.00 C ATOM 947 CG LYS B 15 9.074 -1.608 -8.936 1.00 0.00 C ATOM 948 CD LYS B 15 9.783 -2.313 -10.081 1.00 0.00 C ATOM 949 CE LYS B 15 9.347 -1.762 -11.429 1.00 0.00 C ATOM 950 NZ LYS B 15 10.507 -1.319 -12.250 1.00 0.00 N ATOM 0 H LYS B 15 11.401 -1.093 -5.855 1.00 0.00 H new ATOM 0 HA LYS B 15 9.136 0.156 -7.062 1.00 0.00 H new ATOM 0 HB2 LYS B 15 10.884 -1.768 -7.807 1.00 0.00 H new ATOM 0 HB3 LYS B 15 9.587 -2.795 -7.231 1.00 0.00 H new ATOM 0 HG2 LYS B 15 8.058 -1.991 -8.845 1.00 0.00 H new ATOM 0 HG3 LYS B 15 8.995 -0.543 -9.156 1.00 0.00 H new ATOM 0 HD2 LYS B 15 10.861 -2.196 -9.970 1.00 0.00 H new ATOM 0 HD3 LYS B 15 9.572 -3.382 -10.038 1.00 0.00 H new ATOM 0 HE2 LYS B 15 8.790 -2.527 -11.971 1.00 0.00 H new ATOM 0 HE3 LYS B 15 8.669 -0.922 -11.276 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 10.167 -0.950 -13.161 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 11.024 -0.571 -11.745 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 11.141 -2.126 -12.418 1.00 0.00 H new ATOM 964 N GLU B 16 8.617 -1.605 -4.436 1.00 0.00 N ATOM 965 CA GLU B 16 7.612 -2.101 -3.509 1.00 0.00 C ATOM 966 C GLU B 16 6.900 -0.946 -2.814 1.00 0.00 C ATOM 967 O GLU B 16 5.721 -1.047 -2.487 1.00 0.00 O ATOM 968 CB GLU B 16 8.255 -3.021 -2.470 1.00 0.00 C ATOM 969 CG GLU B 16 7.264 -3.597 -1.471 1.00 0.00 C ATOM 970 CD GLU B 16 6.599 -4.862 -1.974 1.00 0.00 C ATOM 971 OE1 GLU B 16 6.541 -5.052 -3.207 1.00 0.00 O ATOM 972 OE2 GLU B 16 6.137 -5.663 -1.136 1.00 0.00 O ATOM 0 H GLU B 16 9.557 -1.542 -4.045 1.00 0.00 H new ATOM 0 HA GLU B 16 6.876 -2.669 -4.078 1.00 0.00 H new ATOM 0 HB2 GLU B 16 8.758 -3.840 -2.984 1.00 0.00 H new ATOM 0 HB3 GLU B 16 9.021 -2.465 -1.930 1.00 0.00 H new ATOM 0 HG2 GLU B 16 7.780 -3.810 -0.535 1.00 0.00 H new ATOM 0 HG3 GLU B 16 6.500 -2.851 -1.252 1.00 0.00 H new ATOM 979 N ILE B 17 7.618 0.154 -2.596 1.00 0.00 N ATOM 980 CA ILE B 17 7.033 1.322 -1.947 1.00 0.00 C ATOM 981 C ILE B 17 6.156 2.090 -2.928 1.00 0.00 C ATOM 982 O ILE B 17 5.093 2.596 -2.563 1.00 0.00 O ATOM 983 CB ILE B 17 8.119 2.258 -1.375 1.00 0.00 C ATOM 984 CG1 ILE B 17 7.485 3.511 -0.753 1.00 0.00 C ATOM 985 CG2 ILE B 17 9.127 2.631 -2.454 1.00 0.00 C ATOM 986 CD1 ILE B 17 7.098 4.580 -1.757 1.00 0.00 C ATOM 0 H ILE B 17 8.598 0.260 -2.857 1.00 0.00 H new ATOM 0 HA ILE B 17 6.422 0.964 -1.118 1.00 0.00 H new ATOM 0 HB ILE B 17 8.651 1.726 -0.586 1.00 0.00 H new ATOM 0 HG12 ILE B 17 6.597 3.215 -0.195 1.00 0.00 H new ATOM 0 HG13 ILE B 17 8.185 3.940 -0.035 1.00 0.00 H new ATOM 0 HG21 ILE B 17 9.885 3.291 -2.032 1.00 0.00 H new ATOM 0 HG22 ILE B 17 9.604 1.728 -2.834 1.00 0.00 H new ATOM 0 HG23 ILE B 17 8.615 3.142 -3.270 1.00 0.00 H new ATOM 0 HD11 ILE B 17 6.658 5.429 -1.233 1.00 0.00 H new ATOM 0 HD12 ILE B 17 7.985 4.908 -2.299 1.00 0.00 H new ATOM 0 HD13 ILE B 17 6.372 4.172 -2.461 1.00 0.00 H new ATOM 998 N GLU B 18 6.599 2.162 -4.179 1.00 0.00 N ATOM 999 CA GLU B 18 5.845 2.858 -5.212 1.00 0.00 C ATOM 1000 C GLU B 18 4.662 2.010 -5.667 1.00 0.00 C ATOM 1001 O GLU B 18 3.576 2.530 -5.934 1.00 0.00 O ATOM 1002 CB GLU B 18 6.747 3.182 -6.405 1.00 0.00 C ATOM 1003 CG GLU B 18 6.663 4.631 -6.856 1.00 0.00 C ATOM 1004 CD GLU B 18 5.527 4.873 -7.832 1.00 0.00 C ATOM 1005 OE1 GLU B 18 4.415 4.360 -7.586 1.00 0.00 O ATOM 1006 OE2 GLU B 18 5.751 5.574 -8.840 1.00 0.00 O ATOM 0 H GLU B 18 7.474 1.748 -4.500 1.00 0.00 H new ATOM 0 HA GLU B 18 5.469 3.792 -4.794 1.00 0.00 H new ATOM 0 HB2 GLU B 18 7.779 2.951 -6.142 1.00 0.00 H new ATOM 0 HB3 GLU B 18 6.478 2.534 -7.239 1.00 0.00 H new ATOM 0 HG2 GLU B 18 6.531 5.272 -5.984 1.00 0.00 H new ATOM 0 HG3 GLU B 18 7.605 4.918 -7.323 1.00 0.00 H new ATOM 1013 N ARG B 19 4.879 0.702 -5.746 1.00 0.00 N ATOM 1014 CA ARG B 19 3.831 -0.221 -6.161 1.00 0.00 C ATOM 1015 C ARG B 19 2.794 -0.389 -5.058 1.00 0.00 C ATOM 1016 O ARG B 19 1.619 -0.634 -5.330 1.00 0.00 O ATOM 1017 CB ARG B 19 4.431 -1.580 -6.528 1.00 0.00 C ATOM 1018 CG ARG B 19 3.395 -2.608 -6.952 1.00 0.00 C ATOM 1019 CD ARG B 19 3.490 -2.915 -8.437 1.00 0.00 C ATOM 1020 NE ARG B 19 2.176 -2.961 -9.072 1.00 0.00 N ATOM 1021 CZ ARG B 19 1.973 -3.394 -10.312 1.00 0.00 C ATOM 1022 NH1 ARG B 19 2.994 -3.817 -11.045 1.00 0.00 N ATOM 1023 NH2 ARG B 19 0.748 -3.404 -10.820 1.00 0.00 N ATOM 0 H ARG B 19 5.771 0.258 -5.528 1.00 0.00 H new ATOM 0 HA ARG B 19 3.339 0.196 -7.040 1.00 0.00 H new ATOM 0 HB2 ARG B 19 5.148 -1.444 -7.337 1.00 0.00 H new ATOM 0 HB3 ARG B 19 4.985 -1.966 -5.672 1.00 0.00 H new ATOM 0 HG2 ARG B 19 3.536 -3.525 -6.380 1.00 0.00 H new ATOM 0 HG3 ARG B 19 2.397 -2.237 -6.719 1.00 0.00 H new ATOM 0 HD2 ARG B 19 4.102 -2.157 -8.925 1.00 0.00 H new ATOM 0 HD3 ARG B 19 3.994 -3.871 -8.578 1.00 0.00 H new ATOM 0 HE ARG B 19 1.370 -2.643 -8.534 1.00 0.00 H new ATOM 0 HH11 ARG B 19 3.937 -3.810 -10.657 1.00 0.00 H new ATOM 0 HH12 ARG B 19 2.836 -4.149 -11.996 1.00 0.00 H new ATOM 0 HH21 ARG B 19 -0.039 -3.079 -10.259 1.00 0.00 H new ATOM 0 HH22 ARG B 19 0.593 -3.736 -11.772 1.00 0.00 H new ATOM 1037 N LEU B 20 3.232 -0.247 -3.811 1.00 0.00 N ATOM 1038 CA LEU B 20 2.333 -0.374 -2.673 1.00 0.00 C ATOM 1039 C LEU B 20 1.409 0.834 -2.602 1.00 0.00 C ATOM 1040 O LEU B 20 0.225 0.705 -2.296 1.00 0.00 O ATOM 1041 CB LEU B 20 3.125 -0.508 -1.371 1.00 0.00 C ATOM 1042 CG LEU B 20 3.367 -1.944 -0.896 1.00 0.00 C ATOM 1043 CD1 LEU B 20 2.124 -2.496 -0.215 1.00 0.00 C ATOM 1044 CD2 LEU B 20 3.776 -2.836 -2.061 1.00 0.00 C ATOM 0 H LEU B 20 4.201 -0.045 -3.565 1.00 0.00 H new ATOM 0 HA LEU B 20 1.733 -1.274 -2.805 1.00 0.00 H new ATOM 0 HB2 LEU B 20 4.090 -0.018 -1.500 1.00 0.00 H new ATOM 0 HB3 LEU B 20 2.596 0.032 -0.586 1.00 0.00 H new ATOM 0 HG LEU B 20 4.182 -1.931 -0.173 1.00 0.00 H new ATOM 0 HD11 LEU B 20 2.314 -3.517 0.116 1.00 0.00 H new ATOM 0 HD12 LEU B 20 1.875 -1.876 0.646 1.00 0.00 H new ATOM 0 HD13 LEU B 20 1.291 -2.491 -0.918 1.00 0.00 H new ATOM 0 HD21 LEU B 20 3.943 -3.851 -1.701 1.00 0.00 H new ATOM 0 HD22 LEU B 20 2.984 -2.842 -2.810 1.00 0.00 H new ATOM 0 HD23 LEU B 20 4.694 -2.454 -2.507 1.00 0.00 H new ATOM 1056 N GLN B 21 1.961 2.008 -2.895 1.00 0.00 N ATOM 1057 CA GLN B 21 1.188 3.241 -2.873 1.00 0.00 C ATOM 1058 C GLN B 21 0.064 3.185 -3.903 1.00 0.00 C ATOM 1059 O GLN B 21 -1.086 3.507 -3.601 1.00 0.00 O ATOM 1060 CB GLN B 21 2.092 4.443 -3.150 1.00 0.00 C ATOM 1061 CG GLN B 21 1.714 5.685 -2.361 1.00 0.00 C ATOM 1062 CD GLN B 21 2.298 6.952 -2.953 1.00 0.00 C ATOM 1063 OE1 GLN B 21 1.591 7.941 -3.151 1.00 0.00 O ATOM 1064 NE2 GLN B 21 3.593 6.929 -3.241 1.00 0.00 N ATOM 0 H GLN B 21 2.941 2.129 -3.150 1.00 0.00 H new ATOM 0 HA GLN B 21 0.749 3.352 -1.881 1.00 0.00 H new ATOM 0 HB2 GLN B 21 3.122 4.174 -2.916 1.00 0.00 H new ATOM 0 HB3 GLN B 21 2.058 4.675 -4.214 1.00 0.00 H new ATOM 0 HG2 GLN B 21 0.628 5.772 -2.326 1.00 0.00 H new ATOM 0 HG3 GLN B 21 2.059 5.576 -1.333 1.00 0.00 H new ATOM 0 HE21 GLN B 21 4.141 6.088 -3.060 1.00 0.00 H new ATOM 0 HE22 GLN B 21 4.041 7.753 -3.643 1.00 0.00 H new ATOM 1073 N LYS B 22 0.403 2.769 -5.120 1.00 0.00 N ATOM 1074 CA LYS B 22 -0.583 2.667 -6.188 1.00 0.00 C ATOM 1075 C LYS B 22 -1.653 1.639 -5.835 1.00 0.00 C ATOM 1076 O LYS B 22 -2.819 1.787 -6.204 1.00 0.00 O ATOM 1077 CB LYS B 22 0.098 2.282 -7.504 1.00 0.00 C ATOM 1078 CG LYS B 22 -0.354 3.119 -8.689 1.00 0.00 C ATOM 1079 CD LYS B 22 -1.582 2.521 -9.357 1.00 0.00 C ATOM 1080 CE LYS B 22 -1.206 1.420 -10.334 1.00 0.00 C ATOM 1081 NZ LYS B 22 -2.299 0.421 -10.495 1.00 0.00 N ATOM 0 H LYS B 22 1.349 2.498 -5.389 1.00 0.00 H new ATOM 0 HA LYS B 22 -1.060 3.640 -6.307 1.00 0.00 H new ATOM 0 HB2 LYS B 22 1.177 2.383 -7.388 1.00 0.00 H new ATOM 0 HB3 LYS B 22 -0.103 1.231 -7.714 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -0.577 4.133 -8.356 1.00 0.00 H new ATOM 0 HG3 LYS B 22 0.456 3.193 -9.414 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -2.252 2.120 -8.596 1.00 0.00 H new ATOM 0 HD3 LYS B 22 -2.129 3.304 -9.883 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -0.971 1.860 -11.303 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -0.304 0.918 -9.985 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 -2.002 -0.313 -11.170 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -2.507 -0.018 -9.575 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 -3.153 0.895 -10.853 1.00 0.00 H new ATOM 1095 N GLU B 23 -1.247 0.598 -5.116 1.00 0.00 N ATOM 1096 CA GLU B 23 -2.167 -0.457 -4.708 1.00 0.00 C ATOM 1097 C GLU B 23 -3.187 0.067 -3.703 1.00 0.00 C ATOM 1098 O GLU B 23 -4.353 -0.333 -3.722 1.00 0.00 O ATOM 1099 CB GLU B 23 -1.393 -1.630 -4.102 1.00 0.00 C ATOM 1100 CG GLU B 23 -2.059 -2.977 -4.327 1.00 0.00 C ATOM 1101 CD GLU B 23 -1.922 -3.463 -5.757 1.00 0.00 C ATOM 1102 OE1 GLU B 23 -1.782 -2.613 -6.662 1.00 0.00 O ATOM 1103 OE2 GLU B 23 -1.956 -4.693 -5.972 1.00 0.00 O ATOM 0 H GLU B 23 -0.286 0.462 -4.804 1.00 0.00 H new ATOM 0 HA GLU B 23 -2.701 -0.801 -5.594 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -0.391 -1.653 -4.530 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -1.279 -1.465 -3.031 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -1.619 -3.713 -3.653 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -3.116 -2.903 -4.072 1.00 0.00 H new ATOM 1110 N ILE B 24 -2.748 0.967 -2.828 1.00 0.00 N ATOM 1111 CA ILE B 24 -3.638 1.539 -1.823 1.00 0.00 C ATOM 1112 C ILE B 24 -4.721 2.381 -2.500 1.00 0.00 C ATOM 1113 O ILE B 24 -5.890 2.338 -2.117 1.00 0.00 O ATOM 1114 CB ILE B 24 -2.864 2.375 -0.749 1.00 0.00 C ATOM 1115 CG1 ILE B 24 -2.796 3.869 -1.103 1.00 0.00 C ATOM 1116 CG2 ILE B 24 -1.457 1.829 -0.549 1.00 0.00 C ATOM 1117 CD1 ILE B 24 -4.043 4.630 -0.707 1.00 0.00 C ATOM 0 H ILE B 24 -1.789 1.314 -2.794 1.00 0.00 H new ATOM 0 HA ILE B 24 -4.111 0.713 -1.292 1.00 0.00 H new ATOM 0 HB ILE B 24 -3.425 2.281 0.181 1.00 0.00 H new ATOM 0 HG12 ILE B 24 -1.933 4.315 -0.608 1.00 0.00 H new ATOM 0 HG13 ILE B 24 -2.638 3.975 -2.176 1.00 0.00 H new ATOM 0 HG21 ILE B 24 -0.938 2.426 0.201 1.00 0.00 H new ATOM 0 HG22 ILE B 24 -1.513 0.793 -0.214 1.00 0.00 H new ATOM 0 HG23 ILE B 24 -0.911 1.877 -1.491 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -3.933 5.679 -0.984 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -4.906 4.208 -1.222 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -4.190 4.553 0.370 1.00 0.00 H new ATOM 1129 N GLU B 25 -4.314 3.140 -3.514 1.00 0.00 N ATOM 1130 CA GLU B 25 -5.239 3.986 -4.256 1.00 0.00 C ATOM 1131 C GLU B 25 -6.344 3.145 -4.883 1.00 0.00 C ATOM 1132 O GLU B 25 -7.517 3.513 -4.841 1.00 0.00 O ATOM 1133 CB GLU B 25 -4.495 4.765 -5.342 1.00 0.00 C ATOM 1134 CG GLU B 25 -5.324 5.871 -5.974 1.00 0.00 C ATOM 1135 CD GLU B 25 -5.032 7.233 -5.376 1.00 0.00 C ATOM 1136 OE1 GLU B 25 -5.019 7.346 -4.133 1.00 0.00 O ATOM 1137 OE2 GLU B 25 -4.816 8.188 -6.153 1.00 0.00 O ATOM 0 H GLU B 25 -3.348 3.185 -3.839 1.00 0.00 H new ATOM 0 HA GLU B 25 -5.689 4.694 -3.561 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -3.593 5.199 -4.912 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -4.176 4.072 -6.120 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -5.128 5.899 -7.046 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -6.383 5.643 -5.849 1.00 0.00 H new ATOM 1144 N ARG B 26 -5.961 2.007 -5.455 1.00 0.00 N ATOM 1145 CA ARG B 26 -6.924 1.110 -6.078 1.00 0.00 C ATOM 1146 C ARG B 26 -8.008 0.726 -5.078 1.00 0.00 C ATOM 1147 O ARG B 26 -9.201 0.842 -5.360 1.00 0.00 O ATOM 1148 CB ARG B 26 -6.224 -0.146 -6.601 1.00 0.00 C ATOM 1149 CG ARG B 26 -7.164 -1.131 -7.276 1.00 0.00 C ATOM 1150 CD ARG B 26 -6.556 -1.700 -8.548 1.00 0.00 C ATOM 1151 NE ARG B 26 -6.717 -0.796 -9.683 1.00 0.00 N ATOM 1152 CZ ARG B 26 -6.601 -1.179 -10.950 1.00 0.00 C ATOM 1153 NH1 ARG B 26 -6.323 -2.443 -11.241 1.00 0.00 N ATOM 1154 NH2 ARG B 26 -6.762 -0.297 -11.928 1.00 0.00 N ATOM 0 H ARG B 26 -4.994 1.687 -5.499 1.00 0.00 H new ATOM 0 HA ARG B 26 -7.386 1.628 -6.919 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -5.450 0.148 -7.310 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -5.723 -0.645 -5.771 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -7.397 -1.944 -6.588 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -8.105 -0.634 -7.512 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -5.496 -1.895 -8.387 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -7.025 -2.657 -8.777 1.00 0.00 H new ATOM 0 HE ARG B 26 -6.930 0.183 -9.493 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -6.198 -3.123 -10.491 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -6.234 -2.735 -12.214 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -6.975 0.676 -11.707 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -6.673 -0.592 -12.900 1.00 0.00 H new ATOM 1168 N HIS B 27 -7.581 0.281 -3.901 1.00 0.00 N ATOM 1169 CA HIS B 27 -8.515 -0.105 -2.852 1.00 0.00 C ATOM 1170 C HIS B 27 -9.350 1.094 -2.418 1.00 0.00 C ATOM 1171 O HIS B 27 -10.463 0.940 -1.917 1.00 0.00 O ATOM 1172 CB HIS B 27 -7.762 -0.685 -1.653 1.00 0.00 C ATOM 1173 CG HIS B 27 -7.706 -2.181 -1.652 1.00 0.00 C ATOM 1174 ND1 HIS B 27 -8.824 -2.977 -1.797 1.00 0.00 N ATOM 1175 CD2 HIS B 27 -6.657 -3.029 -1.526 1.00 0.00 C ATOM 1176 CE1 HIS B 27 -8.466 -4.248 -1.759 1.00 0.00 C ATOM 1177 NE2 HIS B 27 -7.157 -4.307 -1.596 1.00 0.00 N ATOM 0 H HIS B 27 -6.597 0.179 -3.651 1.00 0.00 H new ATOM 0 HA HIS B 27 -9.182 -0.871 -3.248 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -6.746 -0.291 -1.647 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -8.241 -0.346 -0.734 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -5.621 -2.752 -1.395 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -9.131 -5.095 -1.846 1.00 0.00 H new ATOM 0 HE2 HIS B 27 -6.606 -5.163 -1.532 1.00 0.00 H new ATOM 1186 N LYS B 28 -8.806 2.293 -2.622 1.00 0.00 N ATOM 1187 CA LYS B 28 -9.500 3.521 -2.261 1.00 0.00 C ATOM 1188 C LYS B 28 -10.624 3.814 -3.249 1.00 0.00 C ATOM 1189 O LYS B 28 -11.635 4.420 -2.895 1.00 0.00 O ATOM 1190 CB LYS B 28 -8.519 4.695 -2.229 1.00 0.00 C ATOM 1191 CG LYS B 28 -9.048 5.909 -1.483 1.00 0.00 C ATOM 1192 CD LYS B 28 -8.659 7.204 -2.180 1.00 0.00 C ATOM 1193 CE LYS B 28 -9.739 7.662 -3.146 1.00 0.00 C ATOM 1194 NZ LYS B 28 -10.990 8.050 -2.437 1.00 0.00 N ATOM 0 H LYS B 28 -7.885 2.437 -3.036 1.00 0.00 H new ATOM 0 HA LYS B 28 -9.932 3.390 -1.269 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -7.590 4.369 -1.762 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -8.278 4.984 -3.252 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -10.134 5.847 -1.408 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -8.658 5.911 -0.465 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -8.482 7.980 -1.436 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -7.723 7.061 -2.720 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -9.372 8.509 -3.725 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -9.956 6.862 -3.854 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -11.793 7.522 -2.835 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -10.898 7.830 -1.425 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -11.154 9.070 -2.556 1.00 0.00 H new ATOM 1208 N GLN B 29 -10.438 3.376 -4.490 1.00 0.00 N ATOM 1209 CA GLN B 29 -11.435 3.586 -5.532 1.00 0.00 C ATOM 1210 C GLN B 29 -12.605 2.624 -5.364 1.00 0.00 C ATOM 1211 O GLN B 29 -13.745 2.955 -5.689 1.00 0.00 O ATOM 1212 CB GLN B 29 -10.805 3.408 -6.915 1.00 0.00 C ATOM 1213 CG GLN B 29 -11.625 4.016 -8.040 1.00 0.00 C ATOM 1214 CD GLN B 29 -10.797 4.901 -8.953 1.00 0.00 C ATOM 1215 OE1 GLN B 29 -9.910 5.624 -8.498 1.00 0.00 O ATOM 1216 NE2 GLN B 29 -11.083 4.846 -10.248 1.00 0.00 N ATOM 0 H GLN B 29 -9.606 2.873 -4.798 1.00 0.00 H new ATOM 0 HA GLN B 29 -11.810 4.605 -5.442 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -9.813 3.860 -6.914 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -10.670 2.344 -7.109 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -12.078 3.217 -8.627 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -12.441 4.601 -7.615 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -11.827 4.232 -10.580 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -10.559 5.418 -10.911 1.00 0.00 H new ATOM 1225 N SER B 30 -12.314 1.431 -4.855 1.00 0.00 N ATOM 1226 CA SER B 30 -13.345 0.422 -4.642 1.00 0.00 C ATOM 1227 C SER B 30 -14.175 0.745 -3.403 1.00 0.00 C ATOM 1228 O SER B 30 -15.390 0.557 -3.393 1.00 0.00 O ATOM 1229 CB SER B 30 -12.713 -0.964 -4.500 1.00 0.00 C ATOM 1230 OG SER B 30 -12.415 -1.522 -5.768 1.00 0.00 O ATOM 0 H SER B 30 -11.375 1.140 -4.583 1.00 0.00 H new ATOM 0 HA SER B 30 -14.004 0.425 -5.510 1.00 0.00 H new ATOM 0 HB2 SER B 30 -11.801 -0.892 -3.908 1.00 0.00 H new ATOM 0 HB3 SER B 30 -13.393 -1.623 -3.960 1.00 0.00 H new ATOM 0 HG SER B 30 -12.011 -2.407 -5.649 1.00 0.00 H new ATOM 1236 N ILE B 31 -13.509 1.237 -2.364 1.00 0.00 N ATOM 1237 CA ILE B 31 -14.182 1.592 -1.121 1.00 0.00 C ATOM 1238 C ILE B 31 -14.941 2.907 -1.273 1.00 0.00 C ATOM 1239 O ILE B 31 -15.957 3.128 -0.615 1.00 0.00 O ATOM 1240 CB ILE B 31 -13.171 1.703 0.041 1.00 0.00 C ATOM 1241 CG1 ILE B 31 -13.849 2.180 1.329 1.00 0.00 C ATOM 1242 CG2 ILE B 31 -12.034 2.640 -0.334 1.00 0.00 C ATOM 1243 CD1 ILE B 31 -14.637 1.103 2.036 1.00 0.00 C ATOM 0 H ILE B 31 -12.502 1.399 -2.359 1.00 0.00 H new ATOM 0 HA ILE B 31 -14.893 0.799 -0.891 1.00 0.00 H new ATOM 0 HB ILE B 31 -12.765 0.708 0.225 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -13.088 2.566 2.008 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -14.516 3.009 1.092 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -11.330 2.708 0.495 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -11.521 2.255 -1.215 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -12.435 3.630 -0.551 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -15.088 1.515 2.939 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -15.421 0.733 1.375 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -13.972 0.283 2.305 1.00 0.00 H new ATOM 1255 N LYS B 32 -14.442 3.775 -2.147 1.00 0.00 N ATOM 1256 CA LYS B 32 -15.076 5.065 -2.385 1.00 0.00 C ATOM 1257 C LYS B 32 -16.276 4.916 -3.314 1.00 0.00 C ATOM 1258 O LYS B 32 -17.270 5.631 -3.181 1.00 0.00 O ATOM 1259 CB LYS B 32 -14.070 6.049 -2.985 1.00 0.00 C ATOM 1260 CG LYS B 32 -14.517 7.500 -2.909 1.00 0.00 C ATOM 1261 CD LYS B 32 -14.103 8.142 -1.595 1.00 0.00 C ATOM 1262 CE LYS B 32 -15.266 8.212 -0.619 1.00 0.00 C ATOM 1263 NZ LYS B 32 -16.235 9.281 -0.984 1.00 0.00 N ATOM 0 H LYS B 32 -13.602 3.608 -2.701 1.00 0.00 H new ATOM 0 HA LYS B 32 -15.425 5.453 -1.428 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -13.118 5.944 -2.466 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -13.895 5.786 -4.028 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -14.086 8.059 -3.740 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -15.600 7.554 -3.016 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -13.288 7.571 -1.151 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -13.723 9.146 -1.783 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -15.779 7.250 -0.596 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -14.886 8.395 0.386 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -16.948 9.375 -0.232 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -15.730 10.183 -1.097 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -16.705 9.033 -1.878 1.00 0.00 H new ATOM 1277 N LYS B 33 -16.180 3.981 -4.253 1.00 0.00 N ATOM 1278 CA LYS B 33 -17.260 3.737 -5.201 1.00 0.00 C ATOM 1279 C LYS B 33 -18.360 2.902 -4.557 1.00 0.00 C ATOM 1280 O LYS B 33 -19.534 3.024 -4.910 1.00 0.00 O ATOM 1281 CB LYS B 33 -16.726 3.028 -6.447 1.00 0.00 C ATOM 1282 CG LYS B 33 -17.815 2.604 -7.418 1.00 0.00 C ATOM 1283 CD LYS B 33 -17.241 1.827 -8.593 1.00 0.00 C ATOM 1284 CE LYS B 33 -18.319 1.041 -9.321 1.00 0.00 C ATOM 1285 NZ LYS B 33 -17.831 -0.294 -9.761 1.00 0.00 N ATOM 0 H LYS B 33 -15.365 3.380 -4.378 1.00 0.00 H new ATOM 0 HA LYS B 33 -17.680 4.699 -5.496 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -16.030 3.690 -6.961 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -16.161 2.148 -6.140 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -18.549 1.989 -6.897 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -18.340 3.486 -7.785 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -16.761 2.517 -9.287 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -16.469 1.144 -8.237 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -19.181 0.915 -8.666 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -18.658 1.607 -10.188 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -18.596 -0.798 -10.253 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -17.024 -0.173 -10.406 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -17.531 -0.845 -8.931 1.00 0.00 H new ATOM 1299 N LEU B 34 -17.974 2.057 -3.608 1.00 0.00 N ATOM 1300 CA LEU B 34 -18.926 1.205 -2.909 1.00 0.00 C ATOM 1301 C LEU B 34 -19.678 1.999 -1.848 1.00 0.00 C ATOM 1302 O LEU B 34 -20.845 1.728 -1.565 1.00 0.00 O ATOM 1303 CB LEU B 34 -18.208 0.018 -2.265 1.00 0.00 C ATOM 1304 CG LEU B 34 -18.266 -1.285 -3.065 1.00 0.00 C ATOM 1305 CD1 LEU B 34 -17.087 -2.180 -2.715 1.00 0.00 C ATOM 1306 CD2 LEU B 34 -19.581 -2.008 -2.809 1.00 0.00 C ATOM 0 H LEU B 34 -17.007 1.944 -3.305 1.00 0.00 H new ATOM 0 HA LEU B 34 -19.645 0.828 -3.637 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -17.163 0.285 -2.110 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -18.641 -0.158 -1.280 1.00 0.00 H new ATOM 0 HG LEU B 34 -18.208 -1.041 -4.126 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -17.146 -3.102 -3.294 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -16.156 -1.663 -2.949 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -17.113 -2.417 -1.651 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -19.606 -2.933 -3.386 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -19.668 -2.240 -1.747 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -20.412 -1.370 -3.110 1.00 0.00 H new ATOM 1318 N LYS B 35 -19.002 2.986 -1.267 1.00 0.00 N ATOM 1319 CA LYS B 35 -19.607 3.824 -0.240 1.00 0.00 C ATOM 1320 C LYS B 35 -20.583 4.817 -0.862 1.00 0.00 C ATOM 1321 O LYS B 35 -21.634 5.109 -0.292 1.00 0.00 O ATOM 1322 CB LYS B 35 -18.527 4.572 0.543 1.00 0.00 C ATOM 1323 CG LYS B 35 -18.897 4.831 1.995 1.00 0.00 C ATOM 1324 CD LYS B 35 -17.967 5.850 2.633 1.00 0.00 C ATOM 1325 CE LYS B 35 -16.753 5.182 3.258 1.00 0.00 C ATOM 1326 NZ LYS B 35 -17.141 4.111 4.217 1.00 0.00 N ATOM 0 H LYS B 35 -18.036 3.224 -1.491 1.00 0.00 H new ATOM 0 HA LYS B 35 -20.156 3.179 0.446 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -17.602 3.997 0.510 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -18.328 5.525 0.052 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -19.925 5.189 2.051 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -18.854 3.897 2.555 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -17.641 6.568 1.880 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -18.508 6.411 3.395 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -16.128 4.757 2.473 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -16.152 5.931 3.774 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -16.537 4.166 5.062 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -18.136 4.236 4.493 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -17.021 3.181 3.766 1.00 0.00 H new ATOM 1340 N GLN B 36 -20.229 5.330 -2.035 1.00 0.00 N ATOM 1341 CA GLN B 36 -21.077 6.287 -2.736 1.00 0.00 C ATOM 1342 C GLN B 36 -22.302 5.593 -3.320 1.00 0.00 C ATOM 1343 O GLN B 36 -23.386 6.174 -3.386 1.00 0.00 O ATOM 1344 CB GLN B 36 -20.289 6.982 -3.848 1.00 0.00 C ATOM 1345 CG GLN B 36 -21.138 7.906 -4.707 1.00 0.00 C ATOM 1346 CD GLN B 36 -21.511 9.189 -3.992 1.00 0.00 C ATOM 1347 OE1 GLN B 36 -20.781 10.179 -4.048 1.00 0.00 O ATOM 1348 NE2 GLN B 36 -22.652 9.178 -3.313 1.00 0.00 N ATOM 0 H GLN B 36 -19.362 5.100 -2.520 1.00 0.00 H new ATOM 0 HA GLN B 36 -21.411 7.036 -2.018 1.00 0.00 H new ATOM 0 HB2 GLN B 36 -19.477 7.557 -3.402 1.00 0.00 H new ATOM 0 HB3 GLN B 36 -19.831 6.225 -4.485 1.00 0.00 H new ATOM 0 HG2 GLN B 36 -20.594 8.148 -5.620 1.00 0.00 H new ATOM 0 HG3 GLN B 36 -22.047 7.384 -5.006 1.00 0.00 H new ATOM 0 HE21 GLN B 36 -23.226 8.335 -3.294 1.00 0.00 H new ATOM 0 HE22 GLN B 36 -22.955 10.013 -2.811 1.00 0.00 H new ATOM 1357 N SER B 37 -22.123 4.345 -3.740 1.00 0.00 N ATOM 1358 CA SER B 37 -23.215 3.569 -4.314 1.00 0.00 C ATOM 1359 C SER B 37 -24.246 3.217 -3.246 1.00 0.00 C ATOM 1360 O SER B 37 -25.433 3.076 -3.538 1.00 0.00 O ATOM 1361 CB SER B 37 -22.677 2.291 -4.961 1.00 0.00 C ATOM 1362 OG SER B 37 -21.973 2.583 -6.156 1.00 0.00 O ATOM 0 H SER B 37 -21.232 3.850 -3.693 1.00 0.00 H new ATOM 0 HA SER B 37 -23.699 4.177 -5.078 1.00 0.00 H new ATOM 0 HB2 SER B 37 -22.017 1.776 -4.263 1.00 0.00 H new ATOM 0 HB3 SER B 37 -23.503 1.614 -5.178 1.00 0.00 H new ATOM 0 HG SER B 37 -21.034 2.767 -5.946 1.00 0.00 H new ATOM 1368 N GLU B 38 -23.783 3.082 -2.008 1.00 0.00 N ATOM 1369 CA GLU B 38 -24.665 2.751 -0.895 1.00 0.00 C ATOM 1370 C GLU B 38 -25.642 3.891 -0.625 1.00 0.00 C ATOM 1371 O GLU B 38 -26.741 3.673 -0.116 1.00 0.00 O ATOM 1372 CB GLU B 38 -23.848 2.454 0.363 1.00 0.00 C ATOM 1373 CG GLU B 38 -24.093 1.067 0.934 1.00 0.00 C ATOM 1374 CD GLU B 38 -23.692 0.957 2.391 1.00 0.00 C ATOM 1375 OE1 GLU B 38 -22.867 1.778 2.844 1.00 0.00 O ATOM 1376 OE2 GLU B 38 -24.202 0.049 3.081 1.00 0.00 O ATOM 0 H GLU B 38 -22.803 3.197 -1.750 1.00 0.00 H new ATOM 0 HA GLU B 38 -25.234 1.861 -1.165 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -22.788 2.560 0.131 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -24.084 3.198 1.124 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -25.149 0.818 0.832 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -23.535 0.334 0.351 1.00 0.00 H new ATOM 1383 N ASP B 39 -25.233 5.108 -0.971 1.00 0.00 N ATOM 1384 CA ASP B 39 -26.071 6.283 -0.770 1.00 0.00 C ATOM 1385 C ASP B 39 -27.308 6.228 -1.660 1.00 0.00 C ATOM 1386 O ASP B 39 -28.337 6.828 -1.350 1.00 0.00 O ATOM 1387 CB ASP B 39 -25.277 7.558 -1.056 1.00 0.00 C ATOM 1388 CG ASP B 39 -26.129 8.807 -0.946 1.00 0.00 C ATOM 1389 OD1 ASP B 39 -27.100 8.797 -0.161 1.00 0.00 O ATOM 1390 OD2 ASP B 39 -25.826 9.797 -1.647 1.00 0.00 O ATOM 0 H ASP B 39 -24.325 5.305 -1.392 1.00 0.00 H new ATOM 0 HA ASP B 39 -26.395 6.293 0.271 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -24.443 7.628 -0.357 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -24.850 7.500 -2.057 1.00 0.00 H new ATOM 1395 N ASP B 40 -27.200 5.503 -2.771 1.00 0.00 N ATOM 1396 CA ASP B 40 -28.311 5.369 -3.708 1.00 0.00 C ATOM 1397 C ASP B 40 -28.551 6.675 -4.458 1.00 0.00 C ATOM 1398 O ASP B 40 -28.260 7.757 -3.950 1.00 0.00 O ATOM 1399 CB ASP B 40 -29.583 4.949 -2.971 1.00 0.00 C ATOM 1400 CG ASP B 40 -30.273 3.773 -3.632 1.00 0.00 C ATOM 1401 OD1 ASP B 40 -29.824 3.355 -4.721 1.00 0.00 O ATOM 1402 OD2 ASP B 40 -31.264 3.268 -3.062 1.00 0.00 O ATOM 0 H ASP B 40 -26.355 5.000 -3.044 1.00 0.00 H new ATOM 0 HA ASP B 40 -28.050 4.597 -4.432 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -29.334 4.689 -1.942 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -30.271 5.794 -2.929 1.00 0.00 H new ATOM 1407 N ASP B 41 -29.084 6.566 -5.671 1.00 0.00 N ATOM 1408 CA ASP B 41 -29.364 7.737 -6.491 1.00 0.00 C ATOM 1409 C ASP B 41 -30.840 8.117 -6.412 1.00 0.00 C ATOM 1410 O ASP B 41 -31.151 9.149 -5.781 1.00 0.00 O ATOM 1411 CB ASP B 41 -28.972 7.473 -7.946 1.00 0.00 C ATOM 1412 CG ASP B 41 -28.082 8.562 -8.513 1.00 0.00 C ATOM 1413 OD1 ASP B 41 -27.196 9.048 -7.778 1.00 0.00 O ATOM 1414 OD2 ASP B 41 -28.271 8.930 -9.691 1.00 0.00 O ATOM 1415 OXT ASP B 41 -31.671 7.380 -6.983 1.00 0.00 O ATOM 0 H ASP B 41 -29.330 5.677 -6.107 1.00 0.00 H new ATOM 0 HA ASP B 41 -28.772 8.568 -6.107 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -28.456 6.515 -8.012 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -29.874 7.392 -8.553 1.00 0.00 H new TER 1420 ASP B 41