USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 762 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: A 24 HIS : no HD1:sc= -0.685 X(o=-1.8,f=-1.3) USER MOD Set 1.2: B 46 MET CE :methyl -114:sc= -1.09 (180deg=-2.63) USER MOD Set 2.1: A 46 MET CE :methyl 164:sc= -1.04 (180deg=-1.32) USER MOD Set 2.2: B 24 HIS : no HD1:sc= -0.262 X(o=-1.3,f=-1.7) USER MOD Set 3.1: A 5 GLN : amide:sc= -0.803! C(o=0.39!,f=-7.9!) USER MOD Set 3.2: A 8 ASN : amide:sc= 1.19 K(o=0.39,f=-2.7) USER MOD Single : A 7 LYS NZ :NH3+ 176:sc= 0.974 (180deg=0.929) USER MOD Single : A 9 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0061) USER MOD Single : A 12 ASN : amide:sc=-0.00687 X(o=-0.0069,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -171:sc= 1.62 (180deg=1.21) USER MOD Single : A 14 LYS NZ :NH3+ -179:sc= 1.04 (180deg=1.03) USER MOD Single : A 15 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0029) USER MOD Single : A 19 GLN : amide:sc= 0.185 X(o=0.19,f=0) USER MOD Single : A 28 HIS : no HE2:sc= 0.324 K(o=0.32,f=-1.9) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -89:sc= 1.25 USER MOD Single : A 40 LYS NZ :NH3+ -163:sc= 1.23 (180deg=1) USER MOD Single : A 43 ASN : amide:sc= 1.09 K(o=1.1,f=-0.095) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ -164:sc= -0.0392 (180deg=-0.273) USER MOD Single : B 8 ASN : amide:sc= -0.294 K(o=-0.29,f=-2.2!) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 12 ASN : amide:sc= -0.0675 X(o=-0.067,f=0) USER MOD Single : B 13 LYS NZ :NH3+ -161:sc= 2.4 (180deg=2.35) USER MOD Single : B 14 LYS NZ :NH3+ 170:sc= 1.56 (180deg=0.819) USER MOD Single : B 15 LYS NZ :NH3+ -145:sc= -0.485 (180deg=-1.96!) USER MOD Single : B 19 GLN : amide:sc= -1.16 K(o=-1.2,f=-0.0028) USER MOD Single : B 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 SER OG : rot -80:sc= 1.1 USER MOD Single : B 40 LYS NZ :NH3+ 168:sc= -0.0174 (180deg=-0.172) USER MOD Single : B 43 ASN : amide:sc= -0.019 K(o=-0.019,f=-0.83) USER MOD Single : B 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 59 N GLN A 5 16.168 -13.217 3.678 1.00 0.00 N ATOM 60 CA GLN A 5 16.806 -11.918 3.618 1.00 0.00 C ATOM 61 C GLN A 5 16.089 -11.014 2.639 1.00 0.00 C ATOM 62 O GLN A 5 16.041 -9.807 2.834 1.00 0.00 O ATOM 63 CB GLN A 5 18.304 -12.030 3.311 1.00 0.00 C ATOM 64 CG GLN A 5 19.108 -12.699 4.428 1.00 0.00 C ATOM 65 CD GLN A 5 19.144 -11.880 5.719 1.00 0.00 C ATOM 66 OE1 GLN A 5 18.234 -11.110 6.023 1.00 0.00 O ATOM 67 NE2 GLN A 5 20.168 -12.062 6.502 1.00 0.00 N ATOM 0 HA GLN A 5 16.729 -11.462 4.605 1.00 0.00 H new ATOM 0 HB2 GLN A 5 18.436 -12.597 2.389 1.00 0.00 H new ATOM 0 HB3 GLN A 5 18.706 -11.033 3.132 1.00 0.00 H new ATOM 0 HG2 GLN A 5 18.679 -13.679 4.639 1.00 0.00 H new ATOM 0 HG3 GLN A 5 20.128 -12.866 4.083 1.00 0.00 H new ATOM 0 HE21 GLN A 5 20.911 -12.706 6.229 1.00 0.00 H new ATOM 0 HE22 GLN A 5 20.228 -11.561 7.388 1.00 0.00 H new ATOM 76 N LEU A 6 15.500 -11.621 1.614 1.00 0.00 N ATOM 77 CA LEU A 6 14.673 -10.920 0.629 1.00 0.00 C ATOM 78 C LEU A 6 13.466 -10.297 1.334 1.00 0.00 C ATOM 79 O LEU A 6 13.142 -9.131 1.118 1.00 0.00 O ATOM 80 CB LEU A 6 14.267 -11.927 -0.496 1.00 0.00 C ATOM 81 CG LEU A 6 13.320 -11.484 -1.650 1.00 0.00 C ATOM 82 CD1 LEU A 6 11.862 -11.457 -1.210 1.00 0.00 C ATOM 83 CD2 LEU A 6 13.738 -10.132 -2.223 1.00 0.00 C ATOM 0 H LEU A 6 15.582 -12.623 1.439 1.00 0.00 H new ATOM 0 HA LEU A 6 15.224 -10.106 0.158 1.00 0.00 H new ATOM 0 HB2 LEU A 6 15.189 -12.284 -0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 6 13.801 -12.783 -0.008 1.00 0.00 H new ATOM 0 HG LEU A 6 13.411 -12.230 -2.439 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.236 -11.143 -2.045 1.00 0.00 H new ATOM 0 HD12 LEU A 6 11.561 -12.453 -0.886 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.744 -10.756 -0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 6 13.057 -9.851 -3.026 1.00 0.00 H new ATOM 0 HD22 LEU A 6 13.703 -9.377 -1.437 1.00 0.00 H new ATOM 0 HD23 LEU A 6 14.753 -10.201 -2.615 1.00 0.00 H new ATOM 95 N LYS A 7 12.833 -11.072 2.204 1.00 0.00 N ATOM 96 CA LYS A 7 11.703 -10.603 2.994 1.00 0.00 C ATOM 97 C LYS A 7 12.140 -9.452 3.872 1.00 0.00 C ATOM 98 O LYS A 7 11.430 -8.470 4.029 1.00 0.00 O ATOM 99 CB LYS A 7 11.181 -11.732 3.869 1.00 0.00 C ATOM 100 CG LYS A 7 9.701 -12.058 3.671 1.00 0.00 C ATOM 101 CD LYS A 7 8.751 -10.958 4.181 1.00 0.00 C ATOM 102 CE LYS A 7 8.814 -10.790 5.695 1.00 0.00 C ATOM 103 NZ LYS A 7 7.783 -9.852 6.198 1.00 0.00 N ATOM 0 H LYS A 7 13.088 -12.043 2.382 1.00 0.00 H new ATOM 0 HA LYS A 7 10.912 -10.271 2.322 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.767 -12.629 3.670 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.345 -11.470 4.914 1.00 0.00 H new ATOM 0 HG2 LYS A 7 9.514 -12.225 2.610 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.472 -12.991 4.186 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.005 -10.012 3.703 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.729 -11.199 3.887 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.683 -11.761 6.172 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.802 -10.427 5.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 7.819 -9.821 7.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.963 -8.901 5.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.842 -10.175 5.894 1.00 0.00 H new ATOM 117 N ASN A 8 13.326 -9.581 4.426 1.00 0.00 N ATOM 118 CA ASN A 8 13.904 -8.548 5.264 1.00 0.00 C ATOM 119 C ASN A 8 14.205 -7.280 4.451 1.00 0.00 C ATOM 120 O ASN A 8 14.060 -6.161 4.960 1.00 0.00 O ATOM 121 CB ASN A 8 15.150 -9.047 6.000 1.00 0.00 C ATOM 122 CG ASN A 8 14.860 -10.096 7.072 1.00 0.00 C ATOM 123 OD1 ASN A 8 13.785 -10.113 7.675 1.00 0.00 O ATOM 124 ND2 ASN A 8 15.810 -10.952 7.336 1.00 0.00 N ATOM 0 H ASN A 8 13.918 -10.403 4.310 1.00 0.00 H new ATOM 0 HA ASN A 8 13.164 -8.291 6.022 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.845 -9.468 5.273 1.00 0.00 H new ATOM 0 HB3 ASN A 8 15.650 -8.197 6.464 1.00 0.00 H new ATOM 0 HD21 ASN A 8 15.673 -11.659 8.058 1.00 0.00 H new ATOM 0 HD22 ASN A 8 16.689 -10.913 6.820 1.00 0.00 H new ATOM 131 N LYS A 9 14.617 -7.458 3.187 1.00 0.00 N ATOM 132 CA LYS A 9 14.816 -6.341 2.243 1.00 0.00 C ATOM 133 C LYS A 9 13.484 -5.654 2.008 1.00 0.00 C ATOM 134 O LYS A 9 13.404 -4.432 2.015 1.00 0.00 O ATOM 135 CB LYS A 9 15.363 -6.846 0.884 1.00 0.00 C ATOM 136 CG LYS A 9 16.811 -7.356 0.864 1.00 0.00 C ATOM 137 CD LYS A 9 17.827 -6.276 0.449 1.00 0.00 C ATOM 138 CE LYS A 9 17.956 -5.124 1.440 1.00 0.00 C ATOM 139 NZ LYS A 9 18.542 -5.547 2.731 1.00 0.00 N ATOM 0 H LYS A 9 14.822 -8.375 2.789 1.00 0.00 H new ATOM 0 HA LYS A 9 15.540 -5.650 2.674 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.715 -7.650 0.535 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.279 -6.034 0.162 1.00 0.00 H new ATOM 0 HG2 LYS A 9 17.072 -7.730 1.854 1.00 0.00 H new ATOM 0 HG3 LYS A 9 16.884 -8.198 0.176 1.00 0.00 H new ATOM 0 HD2 LYS A 9 18.804 -6.742 0.322 1.00 0.00 H new ATOM 0 HD3 LYS A 9 17.537 -5.874 -0.522 1.00 0.00 H new ATOM 0 HE2 LYS A 9 18.576 -4.341 1.003 1.00 0.00 H new ATOM 0 HE3 LYS A 9 16.972 -4.690 1.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 18.639 -4.721 3.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 17.921 -6.250 3.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 19.479 -5.968 2.566 1.00 0.00 H new ATOM 153 N ILE A 10 12.452 -6.460 1.802 1.00 0.00 N ATOM 154 CA ILE A 10 11.086 -5.980 1.622 1.00 0.00 C ATOM 155 C ILE A 10 10.639 -5.173 2.830 1.00 0.00 C ATOM 156 O ILE A 10 10.160 -4.051 2.680 1.00 0.00 O ATOM 157 CB ILE A 10 10.108 -7.159 1.337 1.00 0.00 C ATOM 158 CG1 ILE A 10 10.412 -7.733 -0.045 1.00 0.00 C ATOM 159 CG2 ILE A 10 8.639 -6.737 1.454 1.00 0.00 C ATOM 160 CD1 ILE A 10 9.551 -8.896 -0.447 1.00 0.00 C ATOM 0 H ILE A 10 12.539 -7.475 1.754 1.00 0.00 H new ATOM 0 HA ILE A 10 11.069 -5.324 0.752 1.00 0.00 H new ATOM 0 HB ILE A 10 10.262 -7.928 2.094 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.297 -6.941 -0.785 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.456 -8.045 -0.072 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.997 -7.593 1.246 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.444 -6.373 2.463 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.430 -5.944 0.736 1.00 0.00 H new ATOM 0 HD11 ILE A 10 9.840 -9.236 -1.442 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.682 -9.709 0.267 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.505 -8.588 -0.458 1.00 0.00 H new ATOM 172 N GLU A 11 10.830 -5.740 4.020 1.00 0.00 N ATOM 173 CA GLU A 11 10.519 -5.057 5.269 1.00 0.00 C ATOM 174 C GLU A 11 11.209 -3.718 5.328 1.00 0.00 C ATOM 175 O GLU A 11 10.577 -2.698 5.537 1.00 0.00 O ATOM 176 CB GLU A 11 10.961 -5.885 6.477 1.00 0.00 C ATOM 177 CG GLU A 11 10.179 -7.156 6.695 1.00 0.00 C ATOM 178 CD GLU A 11 8.724 -6.880 6.911 1.00 0.00 C ATOM 179 OE1 GLU A 11 8.341 -6.387 7.993 1.00 0.00 O ATOM 180 OE2 GLU A 11 7.926 -7.114 5.997 1.00 0.00 O ATOM 0 H GLU A 11 11.203 -6.681 4.143 1.00 0.00 H new ATOM 0 HA GLU A 11 9.438 -4.920 5.301 1.00 0.00 H new ATOM 0 HB2 GLU A 11 12.014 -6.139 6.359 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.880 -5.268 7.372 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.301 -7.811 5.832 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.581 -7.687 7.558 1.00 0.00 H new ATOM 187 N ASN A 12 12.497 -3.741 5.101 1.00 0.00 N ATOM 188 CA ASN A 12 13.333 -2.560 5.157 1.00 0.00 C ATOM 189 C ASN A 12 12.893 -1.510 4.135 1.00 0.00 C ATOM 190 O ASN A 12 12.790 -0.343 4.458 1.00 0.00 O ATOM 191 CB ASN A 12 14.795 -2.952 4.921 1.00 0.00 C ATOM 192 CG ASN A 12 15.760 -1.812 5.132 1.00 0.00 C ATOM 193 OD1 ASN A 12 16.245 -1.593 6.239 1.00 0.00 O ATOM 194 ND2 ASN A 12 16.079 -1.112 4.092 1.00 0.00 N ATOM 0 H ASN A 12 13.007 -4.593 4.868 1.00 0.00 H new ATOM 0 HA ASN A 12 13.230 -2.117 6.147 1.00 0.00 H new ATOM 0 HB2 ASN A 12 15.057 -3.770 5.592 1.00 0.00 H new ATOM 0 HB3 ASN A 12 14.904 -3.327 3.903 1.00 0.00 H new ATOM 0 HD21 ASN A 12 16.753 -0.351 4.177 1.00 0.00 H new ATOM 0 HD22 ASN A 12 15.657 -1.321 3.187 1.00 0.00 H new ATOM 201 N LYS A 13 12.596 -1.943 2.918 1.00 0.00 N ATOM 202 CA LYS A 13 12.191 -1.032 1.841 1.00 0.00 C ATOM 203 C LYS A 13 10.822 -0.419 2.151 1.00 0.00 C ATOM 204 O LYS A 13 10.586 0.768 1.917 1.00 0.00 O ATOM 205 CB LYS A 13 12.157 -1.777 0.500 1.00 0.00 C ATOM 206 CG LYS A 13 12.012 -0.875 -0.729 1.00 0.00 C ATOM 207 CD LYS A 13 13.179 0.098 -0.859 1.00 0.00 C ATOM 208 CE LYS A 13 14.521 -0.603 -0.982 1.00 0.00 C ATOM 209 NZ LYS A 13 15.627 0.367 -1.115 1.00 0.00 N ATOM 0 H LYS A 13 12.626 -2.925 2.644 1.00 0.00 H new ATOM 0 HA LYS A 13 12.921 -0.226 1.770 1.00 0.00 H new ATOM 0 HB2 LYS A 13 13.073 -2.360 0.400 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.328 -2.485 0.514 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.951 -1.491 -1.626 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.079 -0.316 -0.661 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.023 0.730 -1.733 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.196 0.755 0.010 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.688 -1.229 -0.105 1.00 0.00 H new ATOM 0 HE3 LYS A 13 14.509 -1.264 -1.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 16.506 -0.138 -1.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.405 1.045 -1.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.750 0.878 -0.218 1.00 0.00 H new ATOM 223 N LYS A 14 9.941 -1.250 2.672 1.00 0.00 N ATOM 224 CA LYS A 14 8.634 -0.865 3.146 1.00 0.00 C ATOM 225 C LYS A 14 8.801 0.209 4.209 1.00 0.00 C ATOM 226 O LYS A 14 8.185 1.249 4.149 1.00 0.00 O ATOM 227 CB LYS A 14 7.975 -2.111 3.754 1.00 0.00 C ATOM 228 CG LYS A 14 6.580 -1.929 4.315 1.00 0.00 C ATOM 229 CD LYS A 14 6.069 -3.224 4.949 1.00 0.00 C ATOM 230 CE LYS A 14 6.815 -3.577 6.220 1.00 0.00 C ATOM 231 NZ LYS A 14 6.434 -4.908 6.741 1.00 0.00 N ATOM 0 H LYS A 14 10.126 -2.247 2.779 1.00 0.00 H new ATOM 0 HA LYS A 14 8.016 -0.473 2.338 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.937 -2.886 2.988 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.618 -2.483 4.552 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.585 -1.133 5.060 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.903 -1.617 3.520 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.007 -3.123 5.170 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.169 -4.040 4.233 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.888 -3.558 6.027 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.614 -2.821 6.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.956 -5.099 7.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.412 -4.926 6.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.665 -5.636 6.035 1.00 0.00 H new ATOM 245 N LYS A 15 9.684 -0.055 5.147 1.00 0.00 N ATOM 246 CA LYS A 15 9.985 0.850 6.241 1.00 0.00 C ATOM 247 C LYS A 15 10.632 2.148 5.758 1.00 0.00 C ATOM 248 O LYS A 15 10.379 3.218 6.328 1.00 0.00 O ATOM 249 CB LYS A 15 10.798 0.111 7.300 1.00 0.00 C ATOM 250 CG LYS A 15 9.940 -0.919 8.030 1.00 0.00 C ATOM 251 CD LYS A 15 10.756 -2.006 8.701 1.00 0.00 C ATOM 252 CE LYS A 15 9.853 -2.933 9.523 1.00 0.00 C ATOM 253 NZ LYS A 15 10.589 -4.059 10.154 1.00 0.00 N ATOM 0 H LYS A 15 10.224 -0.920 5.174 1.00 0.00 H new ATOM 0 HA LYS A 15 9.054 1.172 6.708 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.647 -0.385 6.830 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.203 0.826 8.017 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.335 -0.412 8.781 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.250 -1.377 7.321 1.00 0.00 H new ATOM 0 HD2 LYS A 15 11.289 -2.585 7.947 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.508 -1.555 9.348 1.00 0.00 H new ATOM 0 HE2 LYS A 15 9.357 -2.351 10.300 1.00 0.00 H new ATOM 0 HE3 LYS A 15 9.072 -3.334 8.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 9.919 -4.667 10.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.069 -4.616 9.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.294 -3.683 10.819 1.00 0.00 H new ATOM 267 N GLU A 16 11.464 2.056 4.721 1.00 0.00 N ATOM 268 CA GLU A 16 11.988 3.249 4.026 1.00 0.00 C ATOM 269 C GLU A 16 10.820 4.097 3.513 1.00 0.00 C ATOM 270 O GLU A 16 10.766 5.312 3.724 1.00 0.00 O ATOM 271 CB GLU A 16 12.899 2.875 2.830 1.00 0.00 C ATOM 272 CG GLU A 16 14.252 2.267 3.171 1.00 0.00 C ATOM 273 CD GLU A 16 15.098 1.999 1.928 1.00 0.00 C ATOM 274 OE1 GLU A 16 15.206 2.894 1.062 1.00 0.00 O ATOM 275 OE2 GLU A 16 15.672 0.888 1.783 1.00 0.00 O ATOM 0 H GLU A 16 11.794 1.170 4.338 1.00 0.00 H new ATOM 0 HA GLU A 16 12.586 3.809 4.745 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.359 2.171 2.197 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.068 3.773 2.236 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.792 2.940 3.837 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.102 1.334 3.714 1.00 0.00 H new ATOM 282 N LEU A 17 9.872 3.427 2.887 1.00 0.00 N ATOM 283 CA LEU A 17 8.701 4.062 2.319 1.00 0.00 C ATOM 284 C LEU A 17 7.818 4.663 3.388 1.00 0.00 C ATOM 285 O LEU A 17 7.360 5.795 3.245 1.00 0.00 O ATOM 286 CB LEU A 17 7.944 3.055 1.401 1.00 0.00 C ATOM 287 CG LEU A 17 6.518 3.391 0.918 1.00 0.00 C ATOM 288 CD1 LEU A 17 5.473 3.152 1.981 1.00 0.00 C ATOM 289 CD2 LEU A 17 6.437 4.784 0.305 1.00 0.00 C ATOM 0 H LEU A 17 9.894 2.415 2.758 1.00 0.00 H new ATOM 0 HA LEU A 17 9.019 4.899 1.697 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.559 2.894 0.516 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.894 2.104 1.931 1.00 0.00 H new ATOM 0 HG LEU A 17 6.285 2.690 0.117 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.489 3.405 1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.487 2.103 2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 17 5.687 3.776 2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.416 4.979 -0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.728 5.526 1.048 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.109 4.845 -0.551 1.00 0.00 H new ATOM 301 N ILE A 18 7.573 3.908 4.442 1.00 0.00 N ATOM 302 CA ILE A 18 6.715 4.349 5.529 1.00 0.00 C ATOM 303 C ILE A 18 7.206 5.681 6.083 1.00 0.00 C ATOM 304 O ILE A 18 6.423 6.581 6.320 1.00 0.00 O ATOM 305 CB ILE A 18 6.641 3.293 6.660 1.00 0.00 C ATOM 306 CG1 ILE A 18 6.033 2.000 6.133 1.00 0.00 C ATOM 307 CG2 ILE A 18 5.819 3.811 7.837 1.00 0.00 C ATOM 308 CD1 ILE A 18 6.179 0.840 7.075 1.00 0.00 C ATOM 0 H ILE A 18 7.961 2.974 4.570 1.00 0.00 H new ATOM 0 HA ILE A 18 5.710 4.478 5.127 1.00 0.00 H new ATOM 0 HB ILE A 18 7.655 3.097 7.008 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.974 2.162 5.931 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.504 1.747 5.183 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.782 3.051 8.618 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.280 4.716 8.233 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.806 4.037 7.502 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.723 -0.046 6.634 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.237 0.651 7.258 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.683 1.072 8.018 1.00 0.00 H new ATOM 320 N GLN A 19 8.517 5.806 6.211 1.00 0.00 N ATOM 321 CA GLN A 19 9.146 7.033 6.690 1.00 0.00 C ATOM 322 C GLN A 19 8.885 8.199 5.728 1.00 0.00 C ATOM 323 O GLN A 19 8.711 9.344 6.157 1.00 0.00 O ATOM 324 CB GLN A 19 10.645 6.824 6.869 1.00 0.00 C ATOM 325 CG GLN A 19 11.003 5.825 7.954 1.00 0.00 C ATOM 326 CD GLN A 19 12.476 5.501 7.974 1.00 0.00 C ATOM 327 OE1 GLN A 19 13.263 6.153 8.653 1.00 0.00 O ATOM 328 NE2 GLN A 19 12.856 4.487 7.242 1.00 0.00 N ATOM 0 H GLN A 19 9.178 5.062 5.987 1.00 0.00 H new ATOM 0 HA GLN A 19 8.705 7.284 7.655 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.070 6.486 5.924 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.110 7.782 7.103 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.709 6.225 8.924 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.434 4.908 7.802 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.170 3.970 6.691 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.838 4.212 7.221 1.00 0.00 H new ATOM 337 N LEU A 20 8.828 7.897 4.444 1.00 0.00 N ATOM 338 CA LEU A 20 8.581 8.899 3.426 1.00 0.00 C ATOM 339 C LEU A 20 7.120 9.337 3.446 1.00 0.00 C ATOM 340 O LEU A 20 6.836 10.536 3.436 1.00 0.00 O ATOM 341 CB LEU A 20 8.992 8.394 2.040 1.00 0.00 C ATOM 342 CG LEU A 20 10.475 8.040 1.866 1.00 0.00 C ATOM 343 CD1 LEU A 20 10.729 7.511 0.471 1.00 0.00 C ATOM 344 CD2 LEU A 20 11.360 9.249 2.139 1.00 0.00 C ATOM 0 H LEU A 20 8.951 6.953 4.079 1.00 0.00 H new ATOM 0 HA LEU A 20 9.197 9.770 3.651 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.398 7.510 1.806 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.732 9.156 1.306 1.00 0.00 H new ATOM 0 HG LEU A 20 10.725 7.264 2.589 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.785 7.264 0.362 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.128 6.616 0.306 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.457 8.271 -0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.406 8.971 2.009 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.108 10.049 1.443 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.201 9.593 3.161 1.00 0.00 H new ATOM 356 N VAL A 21 6.188 8.374 3.479 1.00 0.00 N ATOM 357 CA VAL A 21 4.764 8.719 3.596 1.00 0.00 C ATOM 358 C VAL A 21 4.512 9.460 4.924 1.00 0.00 C ATOM 359 O VAL A 21 3.751 10.413 4.975 1.00 0.00 O ATOM 360 CB VAL A 21 3.850 7.466 3.539 1.00 0.00 C ATOM 361 CG1 VAL A 21 2.381 7.857 3.430 1.00 0.00 C ATOM 362 CG2 VAL A 21 4.239 6.572 2.397 1.00 0.00 C ATOM 0 H VAL A 21 6.386 7.375 3.428 1.00 0.00 H new ATOM 0 HA VAL A 21 4.518 9.358 2.748 1.00 0.00 H new ATOM 0 HB VAL A 21 3.986 6.917 4.471 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.767 6.957 3.392 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.098 8.453 4.297 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.226 8.440 2.522 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.584 5.701 2.378 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.144 7.118 1.459 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.272 6.247 2.525 1.00 0.00 H new ATOM 372 N ALA A 22 5.192 9.027 5.976 1.00 0.00 N ATOM 373 CA ALA A 22 5.061 9.616 7.304 1.00 0.00 C ATOM 374 C ALA A 22 5.381 11.104 7.298 1.00 0.00 C ATOM 375 O ALA A 22 4.561 11.930 7.709 1.00 0.00 O ATOM 376 CB ALA A 22 5.961 8.894 8.293 1.00 0.00 C ATOM 0 H ALA A 22 5.854 8.253 5.933 1.00 0.00 H new ATOM 0 HA ALA A 22 4.021 9.501 7.611 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.853 9.345 9.280 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.679 7.842 8.341 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.998 8.977 7.968 1.00 0.00 H new ATOM 382 N ARG A 23 6.543 11.443 6.756 1.00 0.00 N ATOM 383 CA ARG A 23 7.026 12.824 6.712 1.00 0.00 C ATOM 384 C ARG A 23 6.171 13.710 5.806 1.00 0.00 C ATOM 385 O ARG A 23 6.256 14.941 5.864 1.00 0.00 O ATOM 386 CB ARG A 23 8.509 12.893 6.348 1.00 0.00 C ATOM 387 CG ARG A 23 8.850 12.364 4.979 1.00 0.00 C ATOM 388 CD ARG A 23 10.349 12.257 4.788 1.00 0.00 C ATOM 389 NE ARG A 23 10.956 11.321 5.747 1.00 0.00 N ATOM 390 CZ ARG A 23 12.235 10.926 5.745 1.00 0.00 C ATOM 391 NH1 ARG A 23 13.069 11.348 4.794 1.00 0.00 N ATOM 392 NH2 ARG A 23 12.665 10.101 6.692 1.00 0.00 N ATOM 0 H ARG A 23 7.181 10.770 6.333 1.00 0.00 H new ATOM 0 HA ARG A 23 6.924 13.225 7.720 1.00 0.00 H new ATOM 0 HB2 ARG A 23 8.836 13.931 6.413 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.077 12.332 7.090 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.393 11.384 4.841 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.430 13.022 4.218 1.00 0.00 H new ATOM 0 HD2 ARG A 23 10.563 11.926 3.772 1.00 0.00 H new ATOM 0 HD3 ARG A 23 10.802 13.242 4.905 1.00 0.00 H new ATOM 0 HE ARG A 23 10.351 10.941 6.475 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.733 11.975 4.063 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.043 11.044 4.798 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.022 9.773 7.413 1.00 0.00 H new ATOM 0 HH22 ARG A 23 13.638 9.795 6.698 1.00 0.00 H new ATOM 406 N HIS A 24 5.392 13.079 4.933 1.00 0.00 N ATOM 407 CA HIS A 24 4.461 13.789 4.072 1.00 0.00 C ATOM 408 C HIS A 24 3.440 14.583 4.913 1.00 0.00 C ATOM 409 O HIS A 24 3.014 15.666 4.515 1.00 0.00 O ATOM 410 CB HIS A 24 3.730 12.812 3.109 1.00 0.00 C ATOM 411 CG HIS A 24 2.681 13.477 2.239 1.00 0.00 C ATOM 412 ND1 HIS A 24 1.345 13.596 2.580 1.00 0.00 N ATOM 413 CD2 HIS A 24 2.809 14.100 1.047 1.00 0.00 C ATOM 414 CE1 HIS A 24 0.729 14.275 1.610 1.00 0.00 C ATOM 415 NE2 HIS A 24 1.572 14.608 0.652 1.00 0.00 N ATOM 0 H HIS A 24 5.390 12.067 4.805 1.00 0.00 H new ATOM 0 HA HIS A 24 5.034 14.492 3.468 1.00 0.00 H new ATOM 0 HB2 HIS A 24 4.468 12.330 2.467 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.256 12.026 3.696 1.00 0.00 H new ATOM 0 HD2 HIS A 24 3.728 14.191 0.487 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -0.323 14.520 1.610 1.00 0.00 H new ATOM 0 HE2 HIS A 24 1.363 15.128 -0.200 1.00 0.00 H new ATOM 423 N GLY A 25 3.083 14.069 6.078 1.00 0.00 N ATOM 424 CA GLY A 25 2.102 14.767 6.885 1.00 0.00 C ATOM 425 C GLY A 25 1.395 13.879 7.873 1.00 0.00 C ATOM 426 O GLY A 25 0.648 14.366 8.724 1.00 0.00 O ATOM 0 H GLY A 25 3.444 13.201 6.474 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.596 15.576 7.424 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.363 15.226 6.228 1.00 0.00 H new ATOM 430 N LEU A 26 1.595 12.588 7.748 1.00 0.00 N ATOM 431 CA LEU A 26 1.034 11.616 8.650 1.00 0.00 C ATOM 432 C LEU A 26 1.547 11.772 10.062 1.00 0.00 C ATOM 433 O LEU A 26 2.705 12.154 10.296 1.00 0.00 O ATOM 434 CB LEU A 26 1.360 10.216 8.185 1.00 0.00 C ATOM 435 CG LEU A 26 0.556 9.641 7.030 1.00 0.00 C ATOM 436 CD1 LEU A 26 0.761 10.401 5.743 1.00 0.00 C ATOM 437 CD2 LEU A 26 0.874 8.180 6.870 1.00 0.00 C ATOM 0 H LEU A 26 2.161 12.180 7.004 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.043 11.785 8.649 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.412 10.195 7.902 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.246 9.546 9.037 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.502 9.749 7.271 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.163 9.947 4.953 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.454 11.438 5.880 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.814 10.368 5.465 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.296 7.770 6.041 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.938 8.059 6.665 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.619 7.650 7.787 1.00 0.00 H new ATOM 449 N ASP A 27 0.697 11.459 10.991 1.00 0.00 N ATOM 450 CA ASP A 27 1.068 11.474 12.395 1.00 0.00 C ATOM 451 C ASP A 27 1.468 10.063 12.757 1.00 0.00 C ATOM 452 O ASP A 27 1.349 9.163 11.926 1.00 0.00 O ATOM 453 CB ASP A 27 -0.097 11.927 13.307 1.00 0.00 C ATOM 454 CG ASP A 27 0.377 12.318 14.710 1.00 0.00 C ATOM 455 OD1 ASP A 27 0.759 13.478 14.920 1.00 0.00 O ATOM 456 OD2 ASP A 27 0.423 11.454 15.605 1.00 0.00 O ATOM 0 H ASP A 27 -0.269 11.186 10.812 1.00 0.00 H new ATOM 0 HA ASP A 27 1.880 12.186 12.545 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -0.605 12.776 12.849 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.828 11.122 13.385 1.00 0.00 H new ATOM 461 N HIS A 28 1.848 9.862 13.985 1.00 0.00 N ATOM 462 CA HIS A 28 2.321 8.595 14.504 1.00 0.00 C ATOM 463 C HIS A 28 1.272 7.531 14.314 1.00 0.00 C ATOM 464 O HIS A 28 1.575 6.426 13.892 1.00 0.00 O ATOM 465 CB HIS A 28 2.628 8.730 15.999 1.00 0.00 C ATOM 466 CG HIS A 28 3.582 9.830 16.324 1.00 0.00 C ATOM 467 ND1 HIS A 28 3.194 11.125 16.598 1.00 0.00 N ATOM 468 CD2 HIS A 28 4.927 9.817 16.396 1.00 0.00 C ATOM 469 CE1 HIS A 28 4.289 11.847 16.819 1.00 0.00 C ATOM 470 NE2 HIS A 28 5.380 11.095 16.709 1.00 0.00 N ATOM 0 H HIS A 28 1.840 10.602 14.687 1.00 0.00 H new ATOM 0 HA HIS A 28 3.225 8.313 13.964 1.00 0.00 H new ATOM 0 HB2 HIS A 28 1.696 8.900 16.537 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.038 7.788 16.362 1.00 0.00 H new ATOM 0 HD1 HIS A 28 2.234 11.469 16.626 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.554 8.952 16.236 1.00 0.00 H new ATOM 0 HE1 HIS A 28 4.292 12.901 17.056 1.00 0.00 H new ATOM 478 N ASP A 29 0.020 7.900 14.545 1.00 0.00 N ATOM 479 CA ASP A 29 -1.061 6.936 14.460 1.00 0.00 C ATOM 480 C ASP A 29 -1.381 6.606 13.042 1.00 0.00 C ATOM 481 O ASP A 29 -1.704 5.468 12.726 1.00 0.00 O ATOM 482 CB ASP A 29 -2.293 7.370 15.239 1.00 0.00 C ATOM 483 CG ASP A 29 -2.076 7.256 16.722 1.00 0.00 C ATOM 484 OD1 ASP A 29 -2.323 6.169 17.289 1.00 0.00 O ATOM 485 OD2 ASP A 29 -1.641 8.248 17.355 1.00 0.00 O ATOM 0 H ASP A 29 -0.267 8.848 14.789 1.00 0.00 H new ATOM 0 HA ASP A 29 -0.710 6.021 14.938 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.541 8.401 14.985 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.145 6.756 14.947 1.00 0.00 H new ATOM 490 N LYS A 30 -1.223 7.583 12.161 1.00 0.00 N ATOM 491 CA LYS A 30 -1.407 7.333 10.745 1.00 0.00 C ATOM 492 C LYS A 30 -0.344 6.374 10.267 1.00 0.00 C ATOM 493 O LYS A 30 -0.620 5.482 9.498 1.00 0.00 O ATOM 494 CB LYS A 30 -1.353 8.610 9.908 1.00 0.00 C ATOM 495 CG LYS A 30 -2.540 9.544 10.034 1.00 0.00 C ATOM 496 CD LYS A 30 -3.849 8.867 9.627 1.00 0.00 C ATOM 497 CE LYS A 30 -4.998 9.868 9.605 1.00 0.00 C ATOM 498 NZ LYS A 30 -6.315 9.215 9.445 1.00 0.00 N ATOM 0 H LYS A 30 -0.971 8.542 12.400 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.401 6.905 10.616 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.453 9.161 10.181 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.248 8.329 8.860 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.618 9.894 11.063 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.377 10.423 9.410 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.737 8.414 8.642 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.078 8.061 10.324 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.992 10.444 10.530 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.845 10.574 8.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.062 9.938 9.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.334 8.687 8.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.476 8.560 10.237 1.00 0.00 H new ATOM 512 N VAL A 31 0.868 6.550 10.782 1.00 0.00 N ATOM 513 CA VAL A 31 1.991 5.705 10.435 1.00 0.00 C ATOM 514 C VAL A 31 1.736 4.280 10.911 1.00 0.00 C ATOM 515 O VAL A 31 1.961 3.324 10.168 1.00 0.00 O ATOM 516 CB VAL A 31 3.323 6.257 11.023 1.00 0.00 C ATOM 517 CG1 VAL A 31 4.489 5.333 10.737 1.00 0.00 C ATOM 518 CG2 VAL A 31 3.603 7.630 10.461 1.00 0.00 C ATOM 0 H VAL A 31 1.094 7.285 11.452 1.00 0.00 H new ATOM 0 HA VAL A 31 2.093 5.701 9.350 1.00 0.00 H new ATOM 0 HB VAL A 31 3.208 6.320 12.105 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.400 5.754 11.164 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.297 4.357 11.182 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.610 5.223 9.659 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.536 8.010 10.877 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.687 7.569 9.376 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.788 8.304 10.724 1.00 0.00 H new ATOM 528 N LEU A 32 1.229 4.149 12.127 1.00 0.00 N ATOM 529 CA LEU A 32 0.885 2.852 12.695 1.00 0.00 C ATOM 530 C LEU A 32 -0.169 2.160 11.853 1.00 0.00 C ATOM 531 O LEU A 32 0.045 1.054 11.386 1.00 0.00 O ATOM 532 CB LEU A 32 0.399 3.003 14.140 1.00 0.00 C ATOM 533 CG LEU A 32 1.393 3.644 15.112 1.00 0.00 C ATOM 534 CD1 LEU A 32 0.825 3.694 16.507 1.00 0.00 C ATOM 535 CD2 LEU A 32 2.726 2.921 15.095 1.00 0.00 C ATOM 0 H LEU A 32 1.044 4.937 12.748 1.00 0.00 H new ATOM 0 HA LEU A 32 1.784 2.236 12.697 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.513 3.600 14.136 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.133 2.016 14.519 1.00 0.00 H new ATOM 0 HG LEU A 32 1.568 4.667 14.780 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.550 4.154 17.179 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.092 4.283 16.505 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.606 2.682 16.847 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.409 3.401 15.796 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.579 1.881 15.386 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.149 2.961 14.091 1.00 0.00 H new ATOM 547 N LEU A 33 -1.264 2.844 11.607 1.00 0.00 N ATOM 548 CA LEU A 33 -2.367 2.296 10.825 1.00 0.00 C ATOM 549 C LEU A 33 -1.914 1.943 9.410 1.00 0.00 C ATOM 550 O LEU A 33 -2.200 0.847 8.912 1.00 0.00 O ATOM 551 CB LEU A 33 -3.528 3.285 10.794 1.00 0.00 C ATOM 552 CG LEU A 33 -4.114 3.650 12.162 1.00 0.00 C ATOM 553 CD1 LEU A 33 -5.178 4.716 12.025 1.00 0.00 C ATOM 554 CD2 LEU A 33 -4.670 2.417 12.863 1.00 0.00 C ATOM 0 H LEU A 33 -1.422 3.795 11.940 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.705 1.376 11.302 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.192 4.200 10.305 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.323 2.867 10.176 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.308 4.052 12.776 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.579 4.958 13.009 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.742 5.611 11.581 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.981 4.348 11.386 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.080 2.703 13.832 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.457 1.975 12.252 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.871 1.689 13.008 1.00 0.00 H new ATOM 566 N PHE A 34 -1.160 2.854 8.799 1.00 0.00 N ATOM 567 CA PHE A 34 -0.626 2.661 7.460 1.00 0.00 C ATOM 568 C PHE A 34 0.272 1.441 7.405 1.00 0.00 C ATOM 569 O PHE A 34 0.049 0.560 6.604 1.00 0.00 O ATOM 570 CB PHE A 34 0.134 3.916 6.985 1.00 0.00 C ATOM 571 CG PHE A 34 0.789 3.785 5.633 1.00 0.00 C ATOM 572 CD1 PHE A 34 0.029 3.798 4.477 1.00 0.00 C ATOM 573 CD2 PHE A 34 2.165 3.635 5.523 1.00 0.00 C ATOM 574 CE1 PHE A 34 0.627 3.666 3.243 1.00 0.00 C ATOM 575 CE2 PHE A 34 2.763 3.502 4.287 1.00 0.00 C ATOM 576 CZ PHE A 34 1.994 3.518 3.152 1.00 0.00 C ATOM 0 H PHE A 34 -0.904 3.746 9.222 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.466 2.495 6.786 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.561 4.755 6.957 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.899 4.161 7.722 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.043 3.913 4.543 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.774 3.622 6.415 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.024 3.679 2.347 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.834 3.386 4.214 1.00 0.00 H new ATOM 0 HZ PHE A 34 2.461 3.414 2.184 1.00 0.00 H new ATOM 586 N SER A 35 1.252 1.373 8.299 1.00 0.00 N ATOM 587 CA SER A 35 2.208 0.278 8.304 1.00 0.00 C ATOM 588 C SER A 35 1.533 -1.076 8.528 1.00 0.00 C ATOM 589 O SER A 35 1.926 -2.074 7.922 1.00 0.00 O ATOM 590 CB SER A 35 3.339 0.533 9.310 1.00 0.00 C ATOM 591 OG SER A 35 2.833 0.842 10.603 1.00 0.00 O ATOM 0 H SER A 35 1.403 2.067 9.031 1.00 0.00 H new ATOM 0 HA SER A 35 2.658 0.236 7.312 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.978 -0.348 9.370 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.962 1.355 8.957 1.00 0.00 H new ATOM 0 HG SER A 35 2.690 1.809 10.676 1.00 0.00 H new ATOM 597 N ARG A 36 0.497 -1.095 9.360 1.00 0.00 N ATOM 598 CA ARG A 36 -0.253 -2.316 9.619 1.00 0.00 C ATOM 599 C ARG A 36 -0.977 -2.766 8.370 1.00 0.00 C ATOM 600 O ARG A 36 -0.808 -3.897 7.932 1.00 0.00 O ATOM 601 CB ARG A 36 -1.256 -2.124 10.758 1.00 0.00 C ATOM 602 CG ARG A 36 -0.611 -1.757 12.066 1.00 0.00 C ATOM 603 CD ARG A 36 -1.625 -1.544 13.176 1.00 0.00 C ATOM 604 NE ARG A 36 -2.358 -2.784 13.507 1.00 0.00 N ATOM 605 CZ ARG A 36 -3.196 -2.945 14.547 1.00 0.00 C ATOM 606 NH1 ARG A 36 -3.461 -1.935 15.376 1.00 0.00 N ATOM 607 NH2 ARG A 36 -3.767 -4.116 14.747 1.00 0.00 N ATOM 0 H ARG A 36 0.158 -0.277 9.866 1.00 0.00 H new ATOM 0 HA ARG A 36 0.461 -3.084 9.918 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.966 -1.345 10.480 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.827 -3.043 10.888 1.00 0.00 H new ATOM 0 HG2 ARG A 36 0.083 -2.545 12.359 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.024 -0.848 11.935 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.115 -1.177 14.066 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.335 -0.774 12.875 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.216 -3.587 12.894 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.026 -1.025 15.226 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.099 -2.073 16.160 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.572 -4.893 14.115 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.403 -4.245 15.534 1.00 0.00 H new ATOM 621 N ASP A 37 -1.729 -1.855 7.761 1.00 0.00 N ATOM 622 CA ASP A 37 -2.545 -2.190 6.589 1.00 0.00 C ATOM 623 C ASP A 37 -1.657 -2.493 5.392 1.00 0.00 C ATOM 624 O ASP A 37 -1.967 -3.359 4.575 1.00 0.00 O ATOM 625 CB ASP A 37 -3.524 -1.067 6.263 1.00 0.00 C ATOM 626 CG ASP A 37 -4.614 -1.502 5.277 1.00 0.00 C ATOM 627 OD1 ASP A 37 -5.591 -2.184 5.710 1.00 0.00 O ATOM 628 OD2 ASP A 37 -4.550 -1.160 4.085 1.00 0.00 O ATOM 0 H ASP A 37 -1.793 -0.880 8.055 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.126 -3.082 6.824 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.991 -0.718 7.184 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.976 -0.223 5.844 1.00 0.00 H new ATOM 633 N LEU A 38 -0.543 -1.793 5.323 1.00 0.00 N ATOM 634 CA LEU A 38 0.480 -1.997 4.311 1.00 0.00 C ATOM 635 C LEU A 38 1.085 -3.383 4.436 1.00 0.00 C ATOM 636 O LEU A 38 1.163 -4.115 3.465 1.00 0.00 O ATOM 637 CB LEU A 38 1.565 -0.913 4.449 1.00 0.00 C ATOM 638 CG LEU A 38 2.857 -1.075 3.645 1.00 0.00 C ATOM 639 CD1 LEU A 38 2.584 -1.212 2.171 1.00 0.00 C ATOM 640 CD2 LEU A 38 3.763 0.108 3.893 1.00 0.00 C ATOM 0 H LEU A 38 -0.316 -1.049 5.983 1.00 0.00 H new ATOM 0 HA LEU A 38 0.026 -1.918 3.323 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.118 0.042 4.172 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.835 -0.845 5.503 1.00 0.00 H new ATOM 0 HG LEU A 38 3.346 -1.991 3.977 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.527 -1.325 1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.960 -2.089 1.996 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.067 -0.322 1.812 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.682 -0.011 3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.258 1.024 3.585 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.003 0.166 4.955 1.00 0.00 H new ATOM 652 N ASP A 39 1.481 -3.746 5.639 1.00 0.00 N ATOM 653 CA ASP A 39 2.089 -5.052 5.886 1.00 0.00 C ATOM 654 C ASP A 39 1.083 -6.154 5.589 1.00 0.00 C ATOM 655 O ASP A 39 1.401 -7.161 4.964 1.00 0.00 O ATOM 656 CB ASP A 39 2.580 -5.147 7.327 1.00 0.00 C ATOM 657 CG ASP A 39 3.282 -6.440 7.609 1.00 0.00 C ATOM 658 OD1 ASP A 39 4.390 -6.644 7.077 1.00 0.00 O ATOM 659 OD2 ASP A 39 2.762 -7.259 8.377 1.00 0.00 O ATOM 0 H ASP A 39 1.395 -3.158 6.468 1.00 0.00 H new ATOM 0 HA ASP A 39 2.948 -5.174 5.226 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.257 -4.317 7.532 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.732 -5.042 8.004 1.00 0.00 H new ATOM 664 N LYS A 40 -0.131 -5.914 5.999 1.00 0.00 N ATOM 665 CA LYS A 40 -1.262 -6.753 5.766 1.00 0.00 C ATOM 666 C LYS A 40 -1.513 -6.943 4.258 1.00 0.00 C ATOM 667 O LYS A 40 -1.832 -8.043 3.804 1.00 0.00 O ATOM 668 CB LYS A 40 -2.392 -6.050 6.475 1.00 0.00 C ATOM 669 CG LYS A 40 -3.787 -6.442 6.153 1.00 0.00 C ATOM 670 CD LYS A 40 -4.743 -5.674 7.068 1.00 0.00 C ATOM 671 CE LYS A 40 -6.165 -5.620 6.537 1.00 0.00 C ATOM 672 NZ LYS A 40 -6.274 -4.769 5.330 1.00 0.00 N ATOM 0 H LYS A 40 -0.366 -5.079 6.535 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.131 -7.767 6.143 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.248 -6.190 7.546 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.294 -4.983 6.277 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.008 -6.223 5.108 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.917 -7.516 6.288 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.747 -6.141 8.053 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.372 -4.657 7.199 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.502 -6.629 6.301 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.827 -5.236 7.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.271 -4.523 5.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.721 -3.899 5.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.906 -5.286 4.506 1.00 0.00 H new ATOM 686 N LEU A 41 -1.322 -5.882 3.497 1.00 0.00 N ATOM 687 CA LEU A 41 -1.456 -5.931 2.051 1.00 0.00 C ATOM 688 C LEU A 41 -0.321 -6.738 1.460 1.00 0.00 C ATOM 689 O LEU A 41 -0.513 -7.537 0.539 1.00 0.00 O ATOM 690 CB LEU A 41 -1.450 -4.510 1.456 1.00 0.00 C ATOM 691 CG LEU A 41 -1.526 -4.413 -0.071 1.00 0.00 C ATOM 692 CD1 LEU A 41 -2.758 -5.111 -0.589 1.00 0.00 C ATOM 693 CD2 LEU A 41 -1.514 -2.962 -0.517 1.00 0.00 C ATOM 0 H LEU A 41 -1.070 -4.963 3.861 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.406 -6.406 1.806 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.292 -3.960 1.876 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.542 -4.005 1.786 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.649 -4.909 -0.486 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.792 -5.030 -1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.727 -6.163 -0.304 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.646 -4.646 -0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.569 -2.915 -1.605 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.371 -2.442 -0.088 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.594 -2.485 -0.179 1.00 0.00 H new ATOM 705 N ILE A 42 0.837 -6.564 2.028 1.00 0.00 N ATOM 706 CA ILE A 42 2.025 -7.215 1.533 1.00 0.00 C ATOM 707 C ILE A 42 1.958 -8.714 1.760 1.00 0.00 C ATOM 708 O ILE A 42 2.006 -9.473 0.799 1.00 0.00 O ATOM 709 CB ILE A 42 3.329 -6.572 2.093 1.00 0.00 C ATOM 710 CG1 ILE A 42 3.431 -5.137 1.575 1.00 0.00 C ATOM 711 CG2 ILE A 42 4.561 -7.362 1.681 1.00 0.00 C ATOM 712 CD1 ILE A 42 4.652 -4.388 2.031 1.00 0.00 C ATOM 0 H ILE A 42 0.989 -5.971 2.844 1.00 0.00 H new ATOM 0 HA ILE A 42 2.064 -7.059 0.455 1.00 0.00 H new ATOM 0 HB ILE A 42 3.284 -6.579 3.182 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.420 -5.157 0.485 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.545 -4.587 1.892 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.452 -6.885 2.089 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.486 -8.379 2.065 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.629 -7.389 0.593 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.638 -3.381 1.614 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.658 -4.330 3.119 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.547 -4.909 1.690 1.00 0.00 H new ATOM 724 N ASN A 43 1.753 -9.133 3.012 1.00 0.00 N ATOM 725 CA ASN A 43 1.629 -10.575 3.369 1.00 0.00 C ATOM 726 C ASN A 43 0.568 -11.255 2.525 1.00 0.00 C ATOM 727 O ASN A 43 0.730 -12.411 2.139 1.00 0.00 O ATOM 728 CB ASN A 43 1.277 -10.805 4.857 1.00 0.00 C ATOM 729 CG ASN A 43 2.386 -10.475 5.843 1.00 0.00 C ATOM 730 OD1 ASN A 43 3.216 -11.310 6.179 1.00 0.00 O ATOM 731 ND2 ASN A 43 2.405 -9.274 6.318 1.00 0.00 N ATOM 0 H ASN A 43 1.667 -8.501 3.808 1.00 0.00 H new ATOM 0 HA ASN A 43 2.611 -11.006 3.175 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.402 -10.203 5.104 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.994 -11.849 4.990 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.123 -9.002 6.989 1.00 0.00 H new ATOM 0 HD22 ASN A 43 1.702 -8.597 6.022 1.00 0.00 H new ATOM 738 N LYS A 44 -0.495 -10.507 2.212 1.00 0.00 N ATOM 739 CA LYS A 44 -1.600 -10.992 1.390 1.00 0.00 C ATOM 740 C LYS A 44 -1.090 -11.451 0.024 1.00 0.00 C ATOM 741 O LYS A 44 -1.417 -12.543 -0.441 1.00 0.00 O ATOM 742 CB LYS A 44 -2.625 -9.869 1.183 1.00 0.00 C ATOM 743 CG LYS A 44 -3.868 -10.272 0.396 1.00 0.00 C ATOM 744 CD LYS A 44 -4.688 -9.058 -0.047 1.00 0.00 C ATOM 745 CE LYS A 44 -5.097 -8.169 1.118 1.00 0.00 C ATOM 746 NZ LYS A 44 -5.940 -7.041 0.668 1.00 0.00 N ATOM 0 H LYS A 44 -0.610 -9.543 2.525 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.065 -11.834 1.903 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.936 -9.496 2.159 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.137 -9.042 0.666 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.571 -10.847 -0.481 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.489 -10.924 1.010 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.107 -8.472 -0.759 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.582 -9.399 -0.569 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.641 -8.760 1.855 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.206 -7.784 1.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.201 -6.455 1.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -5.411 -6.464 -0.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.802 -7.410 0.217 1.00 0.00 H new ATOM 760 N PHE A 45 -0.286 -10.620 -0.592 1.00 0.00 N ATOM 761 CA PHE A 45 0.233 -10.898 -1.905 1.00 0.00 C ATOM 762 C PHE A 45 1.432 -11.802 -1.881 1.00 0.00 C ATOM 763 O PHE A 45 1.628 -12.578 -2.795 1.00 0.00 O ATOM 764 CB PHE A 45 0.509 -9.614 -2.678 1.00 0.00 C ATOM 765 CG PHE A 45 -0.735 -9.038 -3.268 1.00 0.00 C ATOM 766 CD1 PHE A 45 -1.545 -8.185 -2.541 1.00 0.00 C ATOM 767 CD2 PHE A 45 -1.104 -9.371 -4.555 1.00 0.00 C ATOM 768 CE1 PHE A 45 -2.701 -7.681 -3.090 1.00 0.00 C ATOM 769 CE2 PHE A 45 -2.257 -8.868 -5.107 1.00 0.00 C ATOM 770 CZ PHE A 45 -3.058 -8.019 -4.373 1.00 0.00 C ATOM 0 H PHE A 45 0.026 -9.733 -0.196 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.547 -11.445 -2.436 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.967 -8.882 -2.013 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.227 -9.817 -3.473 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.268 -7.912 -1.534 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.480 -10.034 -5.135 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.329 -7.019 -2.512 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.536 -9.137 -6.115 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.964 -7.621 -4.806 1.00 0.00 H new ATOM 780 N MET A 46 2.215 -11.732 -0.831 1.00 0.00 N ATOM 781 CA MET A 46 3.399 -12.581 -0.731 1.00 0.00 C ATOM 782 C MET A 46 2.951 -14.011 -0.536 1.00 0.00 C ATOM 783 O MET A 46 3.516 -14.950 -1.112 1.00 0.00 O ATOM 784 CB MET A 46 4.260 -12.207 0.476 1.00 0.00 C ATOM 785 CG MET A 46 4.635 -10.755 0.571 1.00 0.00 C ATOM 786 SD MET A 46 5.944 -10.459 1.749 1.00 0.00 S ATOM 787 CE MET A 46 7.297 -11.140 0.830 1.00 0.00 C ATOM 0 H MET A 46 2.065 -11.108 -0.038 1.00 0.00 H new ATOM 0 HA MET A 46 3.983 -12.452 -1.643 1.00 0.00 H new ATOM 0 HB2 MET A 46 3.726 -12.488 1.384 1.00 0.00 H new ATOM 0 HB3 MET A 46 5.174 -12.800 0.448 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.948 -10.399 -0.411 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.757 -10.175 0.856 1.00 0.00 H new ATOM 0 HE1 MET A 46 8.238 -10.802 1.263 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.251 -12.228 0.867 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.236 -10.809 -0.207 1.00 0.00 H new ATOM 1151 N LEU B 6 9.973 14.768 -2.621 1.00 0.00 N ATOM 1152 CA LEU B 6 9.459 13.905 -1.585 1.00 0.00 C ATOM 1153 C LEU B 6 8.443 12.952 -2.186 1.00 0.00 C ATOM 1154 O LEU B 6 8.522 11.745 -1.988 1.00 0.00 O ATOM 1155 CB LEU B 6 8.871 14.781 -0.434 1.00 0.00 C ATOM 1156 CG LEU B 6 8.229 14.093 0.805 1.00 0.00 C ATOM 1157 CD1 LEU B 6 6.802 13.643 0.536 1.00 0.00 C ATOM 1158 CD2 LEU B 6 9.078 12.922 1.281 1.00 0.00 C ATOM 0 HA LEU B 6 10.252 13.295 -1.152 1.00 0.00 H new ATOM 0 HB2 LEU B 6 9.673 15.423 -0.071 1.00 0.00 H new ATOM 0 HB3 LEU B 6 8.115 15.432 -0.873 1.00 0.00 H new ATOM 0 HG LEU B 6 8.191 14.840 1.598 1.00 0.00 H new ATOM 0 HD11 LEU B 6 6.396 13.169 1.429 1.00 0.00 H new ATOM 0 HD12 LEU B 6 6.191 14.507 0.274 1.00 0.00 H new ATOM 0 HD13 LEU B 6 6.795 12.930 -0.289 1.00 0.00 H new ATOM 0 HD21 LEU B 6 8.606 12.459 2.148 1.00 0.00 H new ATOM 0 HD22 LEU B 6 9.166 12.187 0.481 1.00 0.00 H new ATOM 0 HD23 LEU B 6 10.070 13.280 1.556 1.00 0.00 H new ATOM 1170 N LYS B 7 7.527 13.492 -2.969 1.00 0.00 N ATOM 1171 CA LYS B 7 6.503 12.680 -3.588 1.00 0.00 C ATOM 1172 C LYS B 7 7.140 11.776 -4.643 1.00 0.00 C ATOM 1173 O LYS B 7 6.692 10.647 -4.858 1.00 0.00 O ATOM 1174 CB LYS B 7 5.415 13.564 -4.202 1.00 0.00 C ATOM 1175 CG LYS B 7 3.988 13.088 -3.922 1.00 0.00 C ATOM 1176 CD LYS B 7 3.667 11.736 -4.552 1.00 0.00 C ATOM 1177 CE LYS B 7 3.612 11.810 -6.067 1.00 0.00 C ATOM 1178 NZ LYS B 7 2.539 12.709 -6.540 1.00 0.00 N ATOM 0 H LYS B 7 7.473 14.487 -3.189 1.00 0.00 H new ATOM 0 HA LYS B 7 6.030 12.055 -2.831 1.00 0.00 H new ATOM 0 HB2 LYS B 7 5.529 14.579 -3.821 1.00 0.00 H new ATOM 0 HB3 LYS B 7 5.566 13.610 -5.281 1.00 0.00 H new ATOM 0 HG2 LYS B 7 3.839 13.023 -2.844 1.00 0.00 H new ATOM 0 HG3 LYS B 7 3.285 13.832 -4.297 1.00 0.00 H new ATOM 0 HD2 LYS B 7 4.422 11.009 -4.252 1.00 0.00 H new ATOM 0 HD3 LYS B 7 2.710 11.378 -4.172 1.00 0.00 H new ATOM 0 HE2 LYS B 7 4.572 12.160 -6.448 1.00 0.00 H new ATOM 0 HE3 LYS B 7 3.453 10.811 -6.473 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 2.355 12.529 -7.548 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 1.672 12.533 -5.993 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 2.834 13.698 -6.413 1.00 0.00 H new ATOM 1192 N ASN B 8 8.203 12.277 -5.268 1.00 0.00 N ATOM 1193 CA ASN B 8 8.963 11.511 -6.251 1.00 0.00 C ATOM 1194 C ASN B 8 9.537 10.278 -5.566 1.00 0.00 C ATOM 1195 O ASN B 8 9.404 9.163 -6.067 1.00 0.00 O ATOM 1196 CB ASN B 8 10.095 12.387 -6.862 1.00 0.00 C ATOM 1197 CG ASN B 8 10.939 11.708 -7.963 1.00 0.00 C ATOM 1198 OD1 ASN B 8 11.155 10.500 -7.969 1.00 0.00 O ATOM 1199 ND2 ASN B 8 11.422 12.490 -8.896 1.00 0.00 N ATOM 0 H ASN B 8 8.560 13.219 -5.108 1.00 0.00 H new ATOM 0 HA ASN B 8 8.311 11.200 -7.067 1.00 0.00 H new ATOM 0 HB2 ASN B 8 9.648 13.291 -7.276 1.00 0.00 H new ATOM 0 HB3 ASN B 8 10.762 12.701 -6.059 1.00 0.00 H new ATOM 0 HD21 ASN B 8 11.990 12.098 -9.647 1.00 0.00 H new ATOM 0 HD22 ASN B 8 11.230 13.491 -8.872 1.00 0.00 H new ATOM 1206 N LYS B 9 10.117 10.478 -4.393 1.00 0.00 N ATOM 1207 CA LYS B 9 10.701 9.385 -3.648 1.00 0.00 C ATOM 1208 C LYS B 9 9.667 8.435 -3.070 1.00 0.00 C ATOM 1209 O LYS B 9 9.942 7.254 -2.959 1.00 0.00 O ATOM 1210 CB LYS B 9 11.706 9.855 -2.591 1.00 0.00 C ATOM 1211 CG LYS B 9 12.977 10.464 -3.178 1.00 0.00 C ATOM 1212 CD LYS B 9 13.708 9.472 -4.079 1.00 0.00 C ATOM 1213 CE LYS B 9 14.970 10.077 -4.671 1.00 0.00 C ATOM 1214 NZ LYS B 9 15.656 9.133 -5.581 1.00 0.00 N ATOM 0 H LYS B 9 10.194 11.389 -3.940 1.00 0.00 H new ATOM 0 HA LYS B 9 11.267 8.809 -4.380 1.00 0.00 H new ATOM 0 HB2 LYS B 9 11.225 10.592 -1.948 1.00 0.00 H new ATOM 0 HB3 LYS B 9 11.978 9.009 -1.960 1.00 0.00 H new ATOM 0 HG2 LYS B 9 12.724 11.357 -3.749 1.00 0.00 H new ATOM 0 HG3 LYS B 9 13.638 10.779 -2.370 1.00 0.00 H new ATOM 0 HD2 LYS B 9 13.965 8.581 -3.506 1.00 0.00 H new ATOM 0 HD3 LYS B 9 13.045 9.153 -4.883 1.00 0.00 H new ATOM 0 HE2 LYS B 9 14.717 10.987 -5.215 1.00 0.00 H new ATOM 0 HE3 LYS B 9 15.647 10.364 -3.867 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 16.512 9.581 -5.965 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 15.920 8.275 -5.056 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 15.018 8.878 -6.362 1.00 0.00 H new ATOM 1228 N ILE B 10 8.490 8.936 -2.711 1.00 0.00 N ATOM 1229 CA ILE B 10 7.408 8.063 -2.237 1.00 0.00 C ATOM 1230 C ILE B 10 7.028 7.074 -3.338 1.00 0.00 C ATOM 1231 O ILE B 10 7.029 5.859 -3.115 1.00 0.00 O ATOM 1232 CB ILE B 10 6.146 8.859 -1.773 1.00 0.00 C ATOM 1233 CG1 ILE B 10 6.472 9.697 -0.528 1.00 0.00 C ATOM 1234 CG2 ILE B 10 4.965 7.918 -1.496 1.00 0.00 C ATOM 1235 CD1 ILE B 10 5.301 10.490 0.012 1.00 0.00 C ATOM 0 H ILE B 10 8.257 9.929 -2.736 1.00 0.00 H new ATOM 0 HA ILE B 10 7.782 7.529 -1.364 1.00 0.00 H new ATOM 0 HB ILE B 10 5.854 9.530 -2.581 1.00 0.00 H new ATOM 0 HG12 ILE B 10 6.840 9.035 0.256 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.282 10.385 -0.769 1.00 0.00 H new ATOM 0 HG21 ILE B 10 4.102 8.502 -1.175 1.00 0.00 H new ATOM 0 HG22 ILE B 10 4.715 7.371 -2.405 1.00 0.00 H new ATOM 0 HG23 ILE B 10 5.238 7.213 -0.711 1.00 0.00 H new ATOM 0 HD11 ILE B 10 5.617 11.053 0.890 1.00 0.00 H new ATOM 0 HD12 ILE B 10 4.945 11.180 -0.753 1.00 0.00 H new ATOM 0 HD13 ILE B 10 4.496 9.808 0.288 1.00 0.00 H new ATOM 1247 N GLU B 11 6.754 7.604 -4.526 1.00 0.00 N ATOM 1248 CA GLU B 11 6.425 6.789 -5.692 1.00 0.00 C ATOM 1249 C GLU B 11 7.552 5.831 -6.002 1.00 0.00 C ATOM 1250 O GLU B 11 7.334 4.637 -6.173 1.00 0.00 O ATOM 1251 CB GLU B 11 6.154 7.678 -6.902 1.00 0.00 C ATOM 1252 CG GLU B 11 4.843 8.432 -6.845 1.00 0.00 C ATOM 1253 CD GLU B 11 3.668 7.497 -6.902 1.00 0.00 C ATOM 1254 OE1 GLU B 11 3.354 6.986 -7.993 1.00 0.00 O ATOM 1255 OE2 GLU B 11 3.039 7.230 -5.864 1.00 0.00 O ATOM 0 H GLU B 11 6.754 8.608 -4.708 1.00 0.00 H new ATOM 0 HA GLU B 11 5.526 6.215 -5.466 1.00 0.00 H new ATOM 0 HB2 GLU B 11 6.968 8.396 -6.999 1.00 0.00 H new ATOM 0 HB3 GLU B 11 6.165 7.061 -7.800 1.00 0.00 H new ATOM 0 HG2 GLU B 11 4.799 9.018 -5.927 1.00 0.00 H new ATOM 0 HG3 GLU B 11 4.790 9.136 -7.676 1.00 0.00 H new ATOM 1262 N ASN B 12 8.749 6.362 -6.033 1.00 0.00 N ATOM 1263 CA ASN B 12 9.952 5.594 -6.316 1.00 0.00 C ATOM 1264 C ASN B 12 10.145 4.447 -5.318 1.00 0.00 C ATOM 1265 O ASN B 12 10.370 3.317 -5.713 1.00 0.00 O ATOM 1266 CB ASN B 12 11.179 6.515 -6.307 1.00 0.00 C ATOM 1267 CG ASN B 12 12.487 5.785 -6.542 1.00 0.00 C ATOM 1268 OD1 ASN B 12 12.927 5.612 -7.675 1.00 0.00 O ATOM 1269 ND2 ASN B 12 13.129 5.382 -5.486 1.00 0.00 N ATOM 0 H ASN B 12 8.925 7.352 -5.861 1.00 0.00 H new ATOM 0 HA ASN B 12 9.837 5.153 -7.306 1.00 0.00 H new ATOM 0 HB2 ASN B 12 11.056 7.279 -7.075 1.00 0.00 H new ATOM 0 HB3 ASN B 12 11.228 7.032 -5.349 1.00 0.00 H new ATOM 0 HD21 ASN B 12 14.026 4.906 -5.585 1.00 0.00 H new ATOM 0 HD22 ASN B 12 12.736 5.541 -4.558 1.00 0.00 H new ATOM 1276 N LYS B 13 10.012 4.749 -4.033 1.00 0.00 N ATOM 1277 CA LYS B 13 10.246 3.771 -2.968 1.00 0.00 C ATOM 1278 C LYS B 13 9.182 2.687 -3.005 1.00 0.00 C ATOM 1279 O LYS B 13 9.473 1.508 -2.798 1.00 0.00 O ATOM 1280 CB LYS B 13 10.243 4.460 -1.602 1.00 0.00 C ATOM 1281 CG LYS B 13 10.864 3.636 -0.480 1.00 0.00 C ATOM 1282 CD LYS B 13 12.330 3.356 -0.742 1.00 0.00 C ATOM 1283 CE LYS B 13 13.136 4.626 -0.895 1.00 0.00 C ATOM 1284 NZ LYS B 13 14.546 4.337 -1.163 1.00 0.00 N ATOM 0 H LYS B 13 9.740 5.673 -3.696 1.00 0.00 H new ATOM 0 HA LYS B 13 11.222 3.313 -3.128 1.00 0.00 H new ATOM 0 HB2 LYS B 13 10.781 5.404 -1.684 1.00 0.00 H new ATOM 0 HB3 LYS B 13 9.215 4.702 -1.333 1.00 0.00 H new ATOM 0 HG2 LYS B 13 10.758 4.168 0.465 1.00 0.00 H new ATOM 0 HG3 LYS B 13 10.325 2.694 -0.378 1.00 0.00 H new ATOM 0 HD2 LYS B 13 12.738 2.766 0.079 1.00 0.00 H new ATOM 0 HD3 LYS B 13 12.427 2.755 -1.646 1.00 0.00 H new ATOM 0 HE2 LYS B 13 12.725 5.223 -1.709 1.00 0.00 H new ATOM 0 HE3 LYS B 13 13.052 5.223 0.013 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 15.120 5.177 -0.947 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 14.857 3.543 -0.568 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 14.664 4.085 -2.165 1.00 0.00 H new ATOM 1298 N LYS B 14 7.959 3.112 -3.266 1.00 0.00 N ATOM 1299 CA LYS B 14 6.820 2.252 -3.452 1.00 0.00 C ATOM 1300 C LYS B 14 7.150 1.250 -4.552 1.00 0.00 C ATOM 1301 O LYS B 14 7.045 0.055 -4.361 1.00 0.00 O ATOM 1302 CB LYS B 14 5.630 3.126 -3.882 1.00 0.00 C ATOM 1303 CG LYS B 14 4.293 2.421 -4.020 1.00 0.00 C ATOM 1304 CD LYS B 14 3.222 3.363 -4.580 1.00 0.00 C ATOM 1305 CE LYS B 14 3.475 3.662 -6.040 1.00 0.00 C ATOM 1306 NZ LYS B 14 2.544 4.669 -6.599 1.00 0.00 N ATOM 0 H LYS B 14 7.731 4.102 -3.356 1.00 0.00 H new ATOM 0 HA LYS B 14 6.574 1.717 -2.535 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.518 3.932 -3.157 1.00 0.00 H new ATOM 0 HB3 LYS B 14 5.873 3.589 -4.839 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.401 1.558 -4.677 1.00 0.00 H new ATOM 0 HG3 LYS B 14 3.976 2.044 -3.048 1.00 0.00 H new ATOM 0 HD2 LYS B 14 2.237 2.911 -4.463 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.216 4.292 -4.010 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.499 4.017 -6.159 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.389 2.739 -6.613 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 2.869 4.956 -7.544 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 1.591 4.259 -6.671 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 2.517 5.501 -5.975 1.00 0.00 H new ATOM 1320 N LYS B 15 7.609 1.768 -5.682 1.00 0.00 N ATOM 1321 CA LYS B 15 7.971 0.954 -6.837 1.00 0.00 C ATOM 1322 C LYS B 15 9.167 0.049 -6.535 1.00 0.00 C ATOM 1323 O LYS B 15 9.194 -1.106 -6.983 1.00 0.00 O ATOM 1324 CB LYS B 15 8.229 1.835 -8.053 1.00 0.00 C ATOM 1325 CG LYS B 15 7.017 2.651 -8.472 1.00 0.00 C ATOM 1326 CD LYS B 15 7.321 3.671 -9.573 1.00 0.00 C ATOM 1327 CE LYS B 15 7.404 3.073 -10.989 1.00 0.00 C ATOM 1328 NZ LYS B 15 8.530 2.136 -11.205 1.00 0.00 N ATOM 0 H LYS B 15 7.742 2.769 -5.826 1.00 0.00 H new ATOM 0 HA LYS B 15 7.129 0.301 -7.066 1.00 0.00 H new ATOM 0 HB2 LYS B 15 9.056 2.511 -7.834 1.00 0.00 H new ATOM 0 HB3 LYS B 15 8.542 1.208 -8.888 1.00 0.00 H new ATOM 0 HG2 LYS B 15 6.236 1.975 -8.819 1.00 0.00 H new ATOM 0 HG3 LYS B 15 6.622 3.174 -7.601 1.00 0.00 H new ATOM 0 HD2 LYS B 15 6.549 4.441 -9.562 1.00 0.00 H new ATOM 0 HD3 LYS B 15 8.266 4.164 -9.344 1.00 0.00 H new ATOM 0 HE2 LYS B 15 6.471 2.552 -11.203 1.00 0.00 H new ATOM 0 HE3 LYS B 15 7.486 3.888 -11.708 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 8.884 2.237 -12.178 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 9.295 2.352 -10.534 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 8.203 1.160 -11.055 1.00 0.00 H new ATOM 1342 N GLU B 16 10.139 0.563 -5.759 1.00 0.00 N ATOM 1343 CA GLU B 16 11.277 -0.240 -5.304 1.00 0.00 C ATOM 1344 C GLU B 16 10.777 -1.458 -4.562 1.00 0.00 C ATOM 1345 O GLU B 16 11.239 -2.586 -4.790 1.00 0.00 O ATOM 1346 CB GLU B 16 12.216 0.535 -4.360 1.00 0.00 C ATOM 1347 CG GLU B 16 13.039 1.647 -4.968 1.00 0.00 C ATOM 1348 CD GLU B 16 14.088 2.126 -3.984 1.00 0.00 C ATOM 1349 OE1 GLU B 16 14.902 1.294 -3.539 1.00 0.00 O ATOM 1350 OE2 GLU B 16 14.135 3.326 -3.646 1.00 0.00 O ATOM 0 H GLU B 16 10.154 1.531 -5.437 1.00 0.00 H new ATOM 0 HA GLU B 16 11.838 -0.516 -6.197 1.00 0.00 H new ATOM 0 HB2 GLU B 16 11.613 0.960 -3.558 1.00 0.00 H new ATOM 0 HB3 GLU B 16 12.899 -0.180 -3.901 1.00 0.00 H new ATOM 0 HG2 GLU B 16 13.521 1.295 -5.880 1.00 0.00 H new ATOM 0 HG3 GLU B 16 12.390 2.476 -5.250 1.00 0.00 H new ATOM 1357 N LEU B 17 9.825 -1.218 -3.702 1.00 0.00 N ATOM 1358 CA LEU B 17 9.228 -2.235 -2.893 1.00 0.00 C ATOM 1359 C LEU B 17 8.398 -3.188 -3.729 1.00 0.00 C ATOM 1360 O LEU B 17 8.470 -4.401 -3.530 1.00 0.00 O ATOM 1361 CB LEU B 17 8.423 -1.576 -1.742 1.00 0.00 C ATOM 1362 CG LEU B 17 7.443 -2.434 -0.919 1.00 0.00 C ATOM 1363 CD1 LEU B 17 6.141 -2.664 -1.635 1.00 0.00 C ATOM 1364 CD2 LEU B 17 8.077 -3.726 -0.439 1.00 0.00 C ATOM 0 H LEU B 17 9.437 -0.288 -3.544 1.00 0.00 H new ATOM 0 HA LEU B 17 10.010 -2.845 -2.441 1.00 0.00 H new ATOM 0 HB2 LEU B 17 9.141 -1.142 -1.047 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.855 -0.750 -2.171 1.00 0.00 H new ATOM 0 HG LEU B 17 7.201 -1.858 -0.026 1.00 0.00 H new ATOM 0 HD11 LEU B 17 5.486 -3.274 -1.013 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.662 -1.706 -1.836 1.00 0.00 H new ATOM 0 HD13 LEU B 17 6.330 -3.179 -2.577 1.00 0.00 H new ATOM 0 HD21 LEU B 17 7.348 -4.297 0.136 1.00 0.00 H new ATOM 0 HD22 LEU B 17 8.402 -4.313 -1.298 1.00 0.00 H new ATOM 0 HD23 LEU B 17 8.937 -3.497 0.190 1.00 0.00 H new ATOM 1376 N ILE B 18 7.612 -2.650 -4.643 1.00 0.00 N ATOM 1377 CA ILE B 18 6.759 -3.474 -5.476 1.00 0.00 C ATOM 1378 C ILE B 18 7.594 -4.484 -6.238 1.00 0.00 C ATOM 1379 O ILE B 18 7.248 -5.650 -6.292 1.00 0.00 O ATOM 1380 CB ILE B 18 5.904 -2.650 -6.468 1.00 0.00 C ATOM 1381 CG1 ILE B 18 4.995 -1.692 -5.705 1.00 0.00 C ATOM 1382 CG2 ILE B 18 5.061 -3.597 -7.335 1.00 0.00 C ATOM 1383 CD1 ILE B 18 4.386 -0.612 -6.561 1.00 0.00 C ATOM 0 H ILE B 18 7.547 -1.649 -4.826 1.00 0.00 H new ATOM 0 HA ILE B 18 6.068 -3.986 -4.806 1.00 0.00 H new ATOM 0 HB ILE B 18 6.565 -2.069 -7.111 1.00 0.00 H new ATOM 0 HG12 ILE B 18 4.195 -2.264 -5.235 1.00 0.00 H new ATOM 0 HG13 ILE B 18 5.567 -1.226 -4.903 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.460 -3.014 -8.033 1.00 0.00 H new ATOM 0 HG22 ILE B 18 5.720 -4.263 -7.892 1.00 0.00 H new ATOM 0 HG23 ILE B 18 4.404 -4.187 -6.696 1.00 0.00 H new ATOM 0 HD11 ILE B 18 3.754 0.027 -5.945 1.00 0.00 H new ATOM 0 HD12 ILE B 18 5.179 -0.014 -7.010 1.00 0.00 H new ATOM 0 HD13 ILE B 18 3.785 -1.067 -7.348 1.00 0.00 H new ATOM 1395 N GLN B 19 8.722 -4.036 -6.774 1.00 0.00 N ATOM 1396 CA GLN B 19 9.627 -4.925 -7.482 1.00 0.00 C ATOM 1397 C GLN B 19 10.169 -6.006 -6.553 1.00 0.00 C ATOM 1398 O GLN B 19 10.412 -7.132 -6.975 1.00 0.00 O ATOM 1399 CB GLN B 19 10.775 -4.161 -8.109 1.00 0.00 C ATOM 1400 CG GLN B 19 10.362 -3.186 -9.194 1.00 0.00 C ATOM 1401 CD GLN B 19 11.549 -2.480 -9.814 1.00 0.00 C ATOM 1402 OE1 GLN B 19 11.449 -1.333 -10.250 1.00 0.00 O ATOM 1403 NE2 GLN B 19 12.671 -3.153 -9.887 1.00 0.00 N ATOM 0 H GLN B 19 9.029 -3.064 -6.731 1.00 0.00 H new ATOM 0 HA GLN B 19 9.055 -5.400 -8.279 1.00 0.00 H new ATOM 0 HB2 GLN B 19 11.301 -3.613 -7.327 1.00 0.00 H new ATOM 0 HB3 GLN B 19 11.483 -4.875 -8.530 1.00 0.00 H new ATOM 0 HG2 GLN B 19 9.814 -3.720 -9.970 1.00 0.00 H new ATOM 0 HG3 GLN B 19 9.681 -2.446 -8.774 1.00 0.00 H new ATOM 0 HE21 GLN B 19 12.722 -4.102 -9.516 1.00 0.00 H new ATOM 0 HE22 GLN B 19 13.494 -2.728 -10.314 1.00 0.00 H new ATOM 1412 N LEU B 20 10.323 -5.670 -5.284 1.00 0.00 N ATOM 1413 CA LEU B 20 10.801 -6.619 -4.308 1.00 0.00 C ATOM 1414 C LEU B 20 9.744 -7.676 -4.009 1.00 0.00 C ATOM 1415 O LEU B 20 10.046 -8.871 -4.049 1.00 0.00 O ATOM 1416 CB LEU B 20 11.287 -5.944 -3.022 1.00 0.00 C ATOM 1417 CG LEU B 20 12.514 -5.037 -3.144 1.00 0.00 C ATOM 1418 CD1 LEU B 20 12.848 -4.426 -1.804 1.00 0.00 C ATOM 1419 CD2 LEU B 20 13.714 -5.812 -3.673 1.00 0.00 C ATOM 0 H LEU B 20 10.122 -4.743 -4.910 1.00 0.00 H new ATOM 0 HA LEU B 20 11.666 -7.115 -4.748 1.00 0.00 H new ATOM 0 HB2 LEU B 20 10.466 -5.353 -2.616 1.00 0.00 H new ATOM 0 HB3 LEU B 20 11.510 -6.722 -2.292 1.00 0.00 H new ATOM 0 HG LEU B 20 12.277 -4.242 -3.851 1.00 0.00 H new ATOM 0 HD11 LEU B 20 13.723 -3.783 -1.905 1.00 0.00 H new ATOM 0 HD12 LEU B 20 12.002 -3.835 -1.453 1.00 0.00 H new ATOM 0 HD13 LEU B 20 13.061 -5.218 -1.086 1.00 0.00 H new ATOM 0 HD21 LEU B 20 14.573 -5.145 -3.750 1.00 0.00 H new ATOM 0 HD22 LEU B 20 13.949 -6.629 -2.990 1.00 0.00 H new ATOM 0 HD23 LEU B 20 13.480 -6.218 -4.657 1.00 0.00 H new ATOM 1431 N VAL B 21 8.495 -7.266 -3.710 1.00 0.00 N ATOM 1432 CA VAL B 21 7.453 -8.256 -3.502 1.00 0.00 C ATOM 1433 C VAL B 21 7.156 -9.041 -4.809 1.00 0.00 C ATOM 1434 O VAL B 21 6.724 -10.189 -4.772 1.00 0.00 O ATOM 1435 CB VAL B 21 6.145 -7.634 -2.962 1.00 0.00 C ATOM 1436 CG1 VAL B 21 6.391 -6.620 -1.883 1.00 0.00 C ATOM 1437 CG2 VAL B 21 5.233 -7.114 -4.040 1.00 0.00 C ATOM 0 H VAL B 21 8.203 -6.293 -3.613 1.00 0.00 H new ATOM 0 HA VAL B 21 7.833 -8.944 -2.747 1.00 0.00 H new ATOM 0 HB VAL B 21 5.606 -8.460 -2.499 1.00 0.00 H new ATOM 0 HG11 VAL B 21 5.439 -6.215 -1.540 1.00 0.00 H new ATOM 0 HG12 VAL B 21 6.905 -7.095 -1.048 1.00 0.00 H new ATOM 0 HG13 VAL B 21 7.008 -5.812 -2.277 1.00 0.00 H new ATOM 0 HG21 VAL B 21 4.336 -6.693 -3.586 1.00 0.00 H new ATOM 0 HG22 VAL B 21 5.748 -6.341 -4.611 1.00 0.00 H new ATOM 0 HG23 VAL B 21 4.953 -7.931 -4.705 1.00 0.00 H new ATOM 1447 N ALA B 22 7.399 -8.408 -5.946 1.00 0.00 N ATOM 1448 CA ALA B 22 7.168 -9.026 -7.231 1.00 0.00 C ATOM 1449 C ALA B 22 8.162 -10.141 -7.478 1.00 0.00 C ATOM 1450 O ALA B 22 7.772 -11.265 -7.824 1.00 0.00 O ATOM 1451 CB ALA B 22 7.227 -7.991 -8.332 1.00 0.00 C ATOM 0 H ALA B 22 7.760 -7.456 -5.998 1.00 0.00 H new ATOM 0 HA ALA B 22 6.170 -9.464 -7.229 1.00 0.00 H new ATOM 0 HB1 ALA B 22 7.051 -8.473 -9.294 1.00 0.00 H new ATOM 0 HB2 ALA B 22 6.463 -7.233 -8.160 1.00 0.00 H new ATOM 0 HB3 ALA B 22 8.210 -7.520 -8.336 1.00 0.00 H new ATOM 1457 N ARG B 23 9.441 -9.855 -7.220 1.00 0.00 N ATOM 1458 CA ARG B 23 10.512 -10.831 -7.422 1.00 0.00 C ATOM 1459 C ARG B 23 10.446 -11.948 -6.379 1.00 0.00 C ATOM 1460 O ARG B 23 11.145 -12.957 -6.487 1.00 0.00 O ATOM 1461 CB ARG B 23 11.893 -10.155 -7.441 1.00 0.00 C ATOM 1462 CG ARG B 23 12.339 -9.575 -6.112 1.00 0.00 C ATOM 1463 CD ARG B 23 13.576 -8.703 -6.266 1.00 0.00 C ATOM 1464 NE ARG B 23 14.707 -9.413 -6.877 1.00 0.00 N ATOM 1465 CZ ARG B 23 15.917 -8.883 -7.094 1.00 0.00 C ATOM 1466 NH1 ARG B 23 16.164 -7.618 -6.759 1.00 0.00 N ATOM 1467 NH2 ARG B 23 16.866 -9.615 -7.659 1.00 0.00 N ATOM 0 H ARG B 23 9.759 -8.952 -6.870 1.00 0.00 H new ATOM 0 HA ARG B 23 10.363 -11.287 -8.401 1.00 0.00 H new ATOM 0 HB2 ARG B 23 12.634 -10.884 -7.769 1.00 0.00 H new ATOM 0 HB3 ARG B 23 11.880 -9.357 -8.183 1.00 0.00 H new ATOM 0 HG2 ARG B 23 11.529 -8.985 -5.682 1.00 0.00 H new ATOM 0 HG3 ARG B 23 12.549 -10.385 -5.414 1.00 0.00 H new ATOM 0 HD2 ARG B 23 13.328 -7.834 -6.876 1.00 0.00 H new ATOM 0 HD3 ARG B 23 13.875 -8.330 -5.286 1.00 0.00 H new ATOM 0 HE ARG B 23 14.560 -10.383 -7.157 1.00 0.00 H new ATOM 0 HH11 ARG B 23 15.430 -7.050 -6.336 1.00 0.00 H new ATOM 0 HH12 ARG B 23 17.087 -7.217 -6.926 1.00 0.00 H new ATOM 0 HH21 ARG B 23 16.674 -10.580 -7.928 1.00 0.00 H new ATOM 0 HH22 ARG B 23 17.789 -9.213 -7.825 1.00 0.00 H new ATOM 1481 N HIS B 24 9.608 -11.748 -5.361 1.00 0.00 N ATOM 1482 CA HIS B 24 9.315 -12.780 -4.368 1.00 0.00 C ATOM 1483 C HIS B 24 8.645 -13.960 -5.072 1.00 0.00 C ATOM 1484 O HIS B 24 8.851 -15.117 -4.715 1.00 0.00 O ATOM 1485 CB HIS B 24 8.381 -12.217 -3.268 1.00 0.00 C ATOM 1486 CG HIS B 24 7.898 -13.229 -2.262 1.00 0.00 C ATOM 1487 ND1 HIS B 24 6.699 -13.905 -2.362 1.00 0.00 N ATOM 1488 CD2 HIS B 24 8.474 -13.670 -1.128 1.00 0.00 C ATOM 1489 CE1 HIS B 24 6.600 -14.714 -1.311 1.00 0.00 C ATOM 1490 NE2 HIS B 24 7.651 -14.612 -0.530 1.00 0.00 N ATOM 0 H HIS B 24 9.115 -10.869 -5.203 1.00 0.00 H new ATOM 0 HA HIS B 24 10.241 -13.108 -3.895 1.00 0.00 H new ATOM 0 HB2 HIS B 24 8.907 -11.423 -2.738 1.00 0.00 H new ATOM 0 HB3 HIS B 24 7.514 -11.761 -3.747 1.00 0.00 H new ATOM 0 HD2 HIS B 24 9.428 -13.341 -0.744 1.00 0.00 H new ATOM 0 HE1 HIS B 24 5.763 -15.370 -1.124 1.00 0.00 H new ATOM 0 HE2 HIS B 24 7.826 -15.120 0.337 1.00 0.00 H new ATOM 1498 N GLY B 25 7.856 -13.650 -6.074 1.00 0.00 N ATOM 1499 CA GLY B 25 7.210 -14.676 -6.822 1.00 0.00 C ATOM 1500 C GLY B 25 5.802 -14.327 -7.212 1.00 0.00 C ATOM 1501 O GLY B 25 4.911 -15.170 -7.117 1.00 0.00 O ATOM 0 H GLY B 25 7.653 -12.698 -6.380 1.00 0.00 H new ATOM 0 HA2 GLY B 25 7.790 -14.880 -7.722 1.00 0.00 H new ATOM 0 HA3 GLY B 25 7.200 -15.594 -6.234 1.00 0.00 H new ATOM 1505 N LEU B 26 5.575 -13.092 -7.630 1.00 0.00 N ATOM 1506 CA LEU B 26 4.255 -12.712 -8.084 1.00 0.00 C ATOM 1507 C LEU B 26 4.128 -12.815 -9.563 1.00 0.00 C ATOM 1508 O LEU B 26 5.111 -12.646 -10.311 1.00 0.00 O ATOM 1509 CB LEU B 26 3.860 -11.292 -7.674 1.00 0.00 C ATOM 1510 CG LEU B 26 3.594 -11.057 -6.216 1.00 0.00 C ATOM 1511 CD1 LEU B 26 3.107 -9.643 -5.949 1.00 0.00 C ATOM 1512 CD2 LEU B 26 2.667 -12.103 -5.630 1.00 0.00 C ATOM 0 H LEU B 26 6.275 -12.351 -7.663 1.00 0.00 H new ATOM 0 HA LEU B 26 3.582 -13.417 -7.596 1.00 0.00 H new ATOM 0 HB2 LEU B 26 4.654 -10.615 -7.988 1.00 0.00 H new ATOM 0 HB3 LEU B 26 2.966 -11.014 -8.231 1.00 0.00 H new ATOM 0 HG LEU B 26 4.548 -11.163 -5.699 1.00 0.00 H new ATOM 0 HD11 LEU B 26 2.927 -9.516 -4.882 1.00 0.00 H new ATOM 0 HD12 LEU B 26 3.863 -8.930 -6.277 1.00 0.00 H new ATOM 0 HD13 LEU B 26 2.181 -9.468 -6.497 1.00 0.00 H new ATOM 0 HD21 LEU B 26 2.503 -11.893 -4.573 1.00 0.00 H new ATOM 0 HD22 LEU B 26 1.713 -12.080 -6.157 1.00 0.00 H new ATOM 0 HD23 LEU B 26 3.117 -13.090 -5.738 1.00 0.00 H new ATOM 1524 N ASP B 27 2.932 -13.120 -9.970 1.00 0.00 N ATOM 1525 CA ASP B 27 2.527 -13.077 -11.361 1.00 0.00 C ATOM 1526 C ASP B 27 2.371 -11.614 -11.718 1.00 0.00 C ATOM 1527 O ASP B 27 2.205 -10.783 -10.811 1.00 0.00 O ATOM 1528 CB ASP B 27 1.162 -13.777 -11.529 1.00 0.00 C ATOM 1529 CG ASP B 27 0.655 -13.786 -12.955 1.00 0.00 C ATOM 1530 OD1 ASP B 27 -0.051 -12.840 -13.354 1.00 0.00 O ATOM 1531 OD2 ASP B 27 0.978 -14.734 -13.715 1.00 0.00 O ATOM 0 H ASP B 27 2.187 -13.413 -9.338 1.00 0.00 H new ATOM 0 HA ASP B 27 3.259 -13.576 -11.996 1.00 0.00 H new ATOM 0 HB2 ASP B 27 1.245 -14.805 -11.176 1.00 0.00 H new ATOM 0 HB3 ASP B 27 0.428 -13.280 -10.895 1.00 0.00 H new ATOM 1536 N HIS B 28 2.406 -11.283 -12.996 1.00 0.00 N ATOM 1537 CA HIS B 28 2.225 -9.902 -13.431 1.00 0.00 C ATOM 1538 C HIS B 28 0.923 -9.316 -12.911 1.00 0.00 C ATOM 1539 O HIS B 28 0.892 -8.161 -12.502 1.00 0.00 O ATOM 1540 CB HIS B 28 2.292 -9.755 -14.959 1.00 0.00 C ATOM 1541 CG HIS B 28 3.672 -9.887 -15.527 1.00 0.00 C ATOM 1542 ND1 HIS B 28 4.346 -8.853 -16.142 1.00 0.00 N ATOM 1543 CD2 HIS B 28 4.501 -10.952 -15.572 1.00 0.00 C ATOM 1544 CE1 HIS B 28 5.538 -9.309 -16.531 1.00 0.00 C ATOM 1545 NE2 HIS B 28 5.686 -10.588 -16.207 1.00 0.00 N ATOM 0 H HIS B 28 2.558 -11.948 -13.754 1.00 0.00 H new ATOM 0 HA HIS B 28 3.056 -9.341 -13.004 1.00 0.00 H new ATOM 0 HB2 HIS B 28 1.650 -10.509 -15.414 1.00 0.00 H new ATOM 0 HB3 HIS B 28 1.888 -8.782 -15.238 1.00 0.00 H new ATOM 0 HD2 HIS B 28 4.280 -11.933 -15.177 1.00 0.00 H new ATOM 0 HE1 HIS B 28 6.283 -8.717 -17.041 1.00 0.00 H new ATOM 0 HE2 HIS B 28 6.497 -11.180 -16.386 1.00 0.00 H new ATOM 1553 N ASP B 29 -0.124 -10.137 -12.831 1.00 0.00 N ATOM 1554 CA ASP B 29 -1.429 -9.642 -12.395 1.00 0.00 C ATOM 1555 C ASP B 29 -1.394 -9.304 -10.915 1.00 0.00 C ATOM 1556 O ASP B 29 -1.998 -8.322 -10.473 1.00 0.00 O ATOM 1557 CB ASP B 29 -2.536 -10.649 -12.691 1.00 0.00 C ATOM 1558 CG ASP B 29 -3.914 -10.120 -12.350 1.00 0.00 C ATOM 1559 OD1 ASP B 29 -4.484 -9.338 -13.154 1.00 0.00 O ATOM 1560 OD2 ASP B 29 -4.479 -10.497 -11.305 1.00 0.00 O ATOM 0 H ASP B 29 -0.096 -11.131 -13.058 1.00 0.00 H new ATOM 0 HA ASP B 29 -1.651 -8.736 -12.958 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -2.505 -10.917 -13.747 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -2.352 -11.562 -12.125 1.00 0.00 H new ATOM 1565 N LYS B 30 -0.623 -10.084 -10.170 1.00 0.00 N ATOM 1566 CA LYS B 30 -0.435 -9.867 -8.741 1.00 0.00 C ATOM 1567 C LYS B 30 0.292 -8.560 -8.505 1.00 0.00 C ATOM 1568 O LYS B 30 -0.099 -7.775 -7.643 1.00 0.00 O ATOM 1569 CB LYS B 30 0.349 -11.028 -8.113 1.00 0.00 C ATOM 1570 CG LYS B 30 -0.416 -12.338 -8.014 1.00 0.00 C ATOM 1571 CD LYS B 30 -1.608 -12.237 -7.073 1.00 0.00 C ATOM 1572 CE LYS B 30 -2.346 -13.563 -6.990 1.00 0.00 C ATOM 1573 NZ LYS B 30 -3.529 -13.488 -6.108 1.00 0.00 N ATOM 0 H LYS B 30 -0.110 -10.885 -10.538 1.00 0.00 H new ATOM 0 HA LYS B 30 -1.416 -9.819 -8.268 1.00 0.00 H new ATOM 0 HB2 LYS B 30 1.253 -11.195 -8.699 1.00 0.00 H new ATOM 0 HB3 LYS B 30 0.667 -10.733 -7.113 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -0.762 -12.631 -9.005 1.00 0.00 H new ATOM 0 HG3 LYS B 30 0.255 -13.123 -7.665 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -1.269 -11.942 -6.080 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -2.287 -11.459 -7.422 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -2.658 -13.866 -7.989 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -1.668 -14.332 -6.621 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -4.001 -14.414 -6.081 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -3.230 -13.224 -5.148 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -4.190 -12.773 -6.474 1.00 0.00 H new ATOM 1587 N VAL B 31 1.331 -8.323 -9.298 1.00 0.00 N ATOM 1588 CA VAL B 31 2.107 -7.094 -9.224 1.00 0.00 C ATOM 1589 C VAL B 31 1.202 -5.893 -9.509 1.00 0.00 C ATOM 1590 O VAL B 31 1.259 -4.885 -8.811 1.00 0.00 O ATOM 1591 CB VAL B 31 3.291 -7.106 -10.237 1.00 0.00 C ATOM 1592 CG1 VAL B 31 4.169 -5.874 -10.090 1.00 0.00 C ATOM 1593 CG2 VAL B 31 4.113 -8.371 -10.093 1.00 0.00 C ATOM 0 H VAL B 31 1.657 -8.978 -10.009 1.00 0.00 H new ATOM 0 HA VAL B 31 2.520 -7.017 -8.218 1.00 0.00 H new ATOM 0 HB VAL B 31 2.862 -7.086 -11.239 1.00 0.00 H new ATOM 0 HG11 VAL B 31 4.983 -5.919 -10.813 1.00 0.00 H new ATOM 0 HG12 VAL B 31 3.573 -4.979 -10.270 1.00 0.00 H new ATOM 0 HG13 VAL B 31 4.581 -5.839 -9.082 1.00 0.00 H new ATOM 0 HG21 VAL B 31 4.933 -8.356 -10.811 1.00 0.00 H new ATOM 0 HG22 VAL B 31 4.516 -8.430 -9.082 1.00 0.00 H new ATOM 0 HG23 VAL B 31 3.481 -9.239 -10.282 1.00 0.00 H new ATOM 1603 N LEU B 32 0.346 -6.029 -10.506 1.00 0.00 N ATOM 1604 CA LEU B 32 -0.593 -4.974 -10.883 1.00 0.00 C ATOM 1605 C LEU B 32 -1.586 -4.695 -9.763 1.00 0.00 C ATOM 1606 O LEU B 32 -1.802 -3.542 -9.391 1.00 0.00 O ATOM 1607 CB LEU B 32 -1.339 -5.352 -12.148 1.00 0.00 C ATOM 1608 CG LEU B 32 -0.478 -5.660 -13.364 1.00 0.00 C ATOM 1609 CD1 LEU B 32 -1.342 -6.013 -14.540 1.00 0.00 C ATOM 1610 CD2 LEU B 32 0.452 -4.507 -13.693 1.00 0.00 C ATOM 0 H LEU B 32 0.278 -6.870 -11.079 1.00 0.00 H new ATOM 0 HA LEU B 32 -0.016 -4.068 -11.066 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -1.957 -6.224 -11.935 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -2.016 -4.537 -12.404 1.00 0.00 H new ATOM 0 HG LEU B 32 0.147 -6.521 -13.126 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -0.712 -6.231 -15.402 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -1.943 -6.890 -14.300 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -1.999 -5.175 -14.773 1.00 0.00 H new ATOM 0 HD21 LEU B 32 1.052 -4.761 -14.567 1.00 0.00 H new ATOM 0 HD22 LEU B 32 -0.136 -3.614 -13.904 1.00 0.00 H new ATOM 0 HD23 LEU B 32 1.109 -4.316 -12.845 1.00 0.00 H new ATOM 1622 N LEU B 33 -2.163 -5.752 -9.214 1.00 0.00 N ATOM 1623 CA LEU B 33 -3.122 -5.631 -8.118 1.00 0.00 C ATOM 1624 C LEU B 33 -2.481 -4.978 -6.917 1.00 0.00 C ATOM 1625 O LEU B 33 -3.020 -4.023 -6.354 1.00 0.00 O ATOM 1626 CB LEU B 33 -3.655 -6.998 -7.721 1.00 0.00 C ATOM 1627 CG LEU B 33 -4.541 -7.704 -8.725 1.00 0.00 C ATOM 1628 CD1 LEU B 33 -4.791 -9.121 -8.278 1.00 0.00 C ATOM 1629 CD2 LEU B 33 -5.856 -6.967 -8.873 1.00 0.00 C ATOM 0 H LEU B 33 -1.985 -6.712 -9.509 1.00 0.00 H new ATOM 0 HA LEU B 33 -3.948 -5.009 -8.465 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -2.804 -7.644 -7.505 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -4.215 -6.887 -6.792 1.00 0.00 H new ATOM 0 HG LEU B 33 -4.038 -7.718 -9.692 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -5.429 -9.624 -9.004 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -3.842 -9.651 -8.200 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -5.283 -9.114 -7.306 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.484 -7.485 -9.598 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -6.365 -6.934 -7.910 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -5.667 -5.951 -9.218 1.00 0.00 H new ATOM 1641 N PHE B 34 -1.319 -5.476 -6.556 1.00 0.00 N ATOM 1642 CA PHE B 34 -0.593 -4.971 -5.426 1.00 0.00 C ATOM 1643 C PHE B 34 -0.220 -3.509 -5.623 1.00 0.00 C ATOM 1644 O PHE B 34 -0.530 -2.680 -4.781 1.00 0.00 O ATOM 1645 CB PHE B 34 0.657 -5.820 -5.159 1.00 0.00 C ATOM 1646 CG PHE B 34 1.477 -5.325 -4.008 1.00 0.00 C ATOM 1647 CD1 PHE B 34 1.093 -5.585 -2.707 1.00 0.00 C ATOM 1648 CD2 PHE B 34 2.624 -4.587 -4.230 1.00 0.00 C ATOM 1649 CE1 PHE B 34 1.835 -5.114 -1.652 1.00 0.00 C ATOM 1650 CE2 PHE B 34 3.368 -4.118 -3.179 1.00 0.00 C ATOM 1651 CZ PHE B 34 2.975 -4.381 -1.891 1.00 0.00 C ATOM 0 H PHE B 34 -0.856 -6.243 -7.042 1.00 0.00 H new ATOM 0 HA PHE B 34 -1.243 -5.036 -4.554 1.00 0.00 H new ATOM 0 HB2 PHE B 34 0.354 -6.849 -4.964 1.00 0.00 H new ATOM 0 HB3 PHE B 34 1.276 -5.835 -6.056 1.00 0.00 H new ATOM 0 HD1 PHE B 34 0.201 -6.164 -2.518 1.00 0.00 H new ATOM 0 HD2 PHE B 34 2.937 -4.378 -5.242 1.00 0.00 H new ATOM 0 HE1 PHE B 34 1.525 -5.318 -0.638 1.00 0.00 H new ATOM 0 HE2 PHE B 34 4.263 -3.542 -3.364 1.00 0.00 H new ATOM 0 HZ PHE B 34 3.562 -4.012 -1.063 1.00 0.00 H new ATOM 1661 N SER B 35 0.393 -3.198 -6.755 1.00 0.00 N ATOM 1662 CA SER B 35 0.857 -1.851 -7.028 1.00 0.00 C ATOM 1663 C SER B 35 -0.276 -0.828 -6.994 1.00 0.00 C ATOM 1664 O SER B 35 -0.114 0.253 -6.431 1.00 0.00 O ATOM 1665 CB SER B 35 1.623 -1.790 -8.356 1.00 0.00 C ATOM 1666 OG SER B 35 0.845 -2.283 -9.432 1.00 0.00 O ATOM 0 H SER B 35 0.580 -3.867 -7.502 1.00 0.00 H new ATOM 0 HA SER B 35 1.545 -1.583 -6.226 1.00 0.00 H new ATOM 0 HB2 SER B 35 1.916 -0.760 -8.560 1.00 0.00 H new ATOM 0 HB3 SER B 35 2.541 -2.372 -8.274 1.00 0.00 H new ATOM 0 HG SER B 35 0.873 -3.263 -9.434 1.00 0.00 H new ATOM 1672 N ARG B 36 -1.425 -1.186 -7.551 1.00 0.00 N ATOM 1673 CA ARG B 36 -2.540 -0.269 -7.592 1.00 0.00 C ATOM 1674 C ARG B 36 -3.183 -0.105 -6.219 1.00 0.00 C ATOM 1675 O ARG B 36 -3.476 1.004 -5.811 1.00 0.00 O ATOM 1676 CB ARG B 36 -3.567 -0.662 -8.674 1.00 0.00 C ATOM 1677 CG ARG B 36 -4.310 -1.963 -8.426 1.00 0.00 C ATOM 1678 CD ARG B 36 -5.111 -2.383 -9.642 1.00 0.00 C ATOM 1679 NE ARG B 36 -6.076 -1.360 -10.050 1.00 0.00 N ATOM 1680 CZ ARG B 36 -6.755 -1.353 -11.205 1.00 0.00 C ATOM 1681 NH1 ARG B 36 -6.679 -2.389 -12.042 1.00 0.00 N ATOM 1682 NH2 ARG B 36 -7.541 -0.329 -11.496 1.00 0.00 N ATOM 0 H ARG B 36 -1.602 -2.097 -7.975 1.00 0.00 H new ATOM 0 HA ARG B 36 -2.146 0.707 -7.876 1.00 0.00 H new ATOM 0 HB2 ARG B 36 -4.297 0.142 -8.766 1.00 0.00 H new ATOM 0 HB3 ARG B 36 -3.051 -0.735 -9.631 1.00 0.00 H new ATOM 0 HG2 ARG B 36 -3.598 -2.747 -8.169 1.00 0.00 H new ATOM 0 HG3 ARG B 36 -4.977 -1.846 -7.572 1.00 0.00 H new ATOM 0 HD2 ARG B 36 -4.431 -2.589 -10.469 1.00 0.00 H new ATOM 0 HD3 ARG B 36 -5.639 -3.311 -9.424 1.00 0.00 H new ATOM 0 HE ARG B 36 -6.245 -0.590 -9.402 1.00 0.00 H new ATOM 0 HH11 ARG B 36 -6.101 -3.195 -11.805 1.00 0.00 H new ATOM 0 HH12 ARG B 36 -7.199 -2.375 -12.919 1.00 0.00 H new ATOM 0 HH21 ARG B 36 -7.627 0.449 -10.843 1.00 0.00 H new ATOM 0 HH22 ARG B 36 -8.060 -0.318 -12.374 1.00 0.00 H new ATOM 1696 N ASP B 37 -3.331 -1.199 -5.477 1.00 0.00 N ATOM 1697 CA ASP B 37 -3.986 -1.142 -4.165 1.00 0.00 C ATOM 1698 C ASP B 37 -3.076 -0.443 -3.155 1.00 0.00 C ATOM 1699 O ASP B 37 -3.538 0.248 -2.236 1.00 0.00 O ATOM 1700 CB ASP B 37 -4.367 -2.547 -3.693 1.00 0.00 C ATOM 1701 CG ASP B 37 -5.302 -2.551 -2.500 1.00 0.00 C ATOM 1702 OD1 ASP B 37 -6.227 -1.705 -2.436 1.00 0.00 O ATOM 1703 OD2 ASP B 37 -5.194 -3.441 -1.660 1.00 0.00 O ATOM 0 H ASP B 37 -3.012 -2.127 -5.754 1.00 0.00 H new ATOM 0 HA ASP B 37 -4.905 -0.563 -4.252 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -4.839 -3.083 -4.516 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -3.460 -3.094 -3.436 1.00 0.00 H new ATOM 1708 N LEU B 38 -1.778 -0.603 -3.365 1.00 0.00 N ATOM 1709 CA LEU B 38 -0.755 0.072 -2.582 1.00 0.00 C ATOM 1710 C LEU B 38 -0.758 1.562 -2.899 1.00 0.00 C ATOM 1711 O LEU B 38 -0.683 2.398 -2.000 1.00 0.00 O ATOM 1712 CB LEU B 38 0.621 -0.548 -2.883 1.00 0.00 C ATOM 1713 CG LEU B 38 1.859 0.172 -2.338 1.00 0.00 C ATOM 1714 CD1 LEU B 38 1.787 0.347 -0.848 1.00 0.00 C ATOM 1715 CD2 LEU B 38 3.110 -0.593 -2.710 1.00 0.00 C ATOM 0 H LEU B 38 -1.402 -1.212 -4.092 1.00 0.00 H new ATOM 0 HA LEU B 38 -0.968 -0.053 -1.520 1.00 0.00 H new ATOM 0 HB2 LEU B 38 0.624 -1.565 -2.491 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.726 -0.624 -3.965 1.00 0.00 H new ATOM 0 HG LEU B 38 1.892 1.164 -2.789 1.00 0.00 H new ATOM 0 HD11 LEU B 38 2.682 0.861 -0.498 1.00 0.00 H new ATOM 0 HD12 LEU B 38 0.907 0.937 -0.593 1.00 0.00 H new ATOM 0 HD13 LEU B 38 1.720 -0.630 -0.370 1.00 0.00 H new ATOM 0 HD21 LEU B 38 3.984 -0.073 -2.318 1.00 0.00 H new ATOM 0 HD22 LEU B 38 3.063 -1.596 -2.285 1.00 0.00 H new ATOM 0 HD23 LEU B 38 3.185 -0.662 -3.795 1.00 0.00 H new ATOM 1727 N ASP B 39 -0.866 1.876 -4.179 1.00 0.00 N ATOM 1728 CA ASP B 39 -0.929 3.262 -4.661 1.00 0.00 C ATOM 1729 C ASP B 39 -2.098 3.971 -3.995 1.00 0.00 C ATOM 1730 O ASP B 39 -1.959 5.069 -3.444 1.00 0.00 O ATOM 1731 CB ASP B 39 -1.116 3.259 -6.183 1.00 0.00 C ATOM 1732 CG ASP B 39 -1.090 4.627 -6.812 1.00 0.00 C ATOM 1733 OD1 ASP B 39 -2.142 5.268 -6.916 1.00 0.00 O ATOM 1734 OD2 ASP B 39 -0.004 5.051 -7.270 1.00 0.00 O ATOM 0 H ASP B 39 -0.913 1.180 -4.923 1.00 0.00 H new ATOM 0 HA ASP B 39 -0.005 3.785 -4.414 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -0.332 2.650 -6.633 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -2.066 2.781 -6.420 1.00 0.00 H new ATOM 1739 N LYS B 40 -3.231 3.290 -3.998 1.00 0.00 N ATOM 1740 CA LYS B 40 -4.450 3.769 -3.378 1.00 0.00 C ATOM 1741 C LYS B 40 -4.281 3.943 -1.871 1.00 0.00 C ATOM 1742 O LYS B 40 -4.739 4.930 -1.309 1.00 0.00 O ATOM 1743 CB LYS B 40 -5.586 2.797 -3.649 1.00 0.00 C ATOM 1744 CG LYS B 40 -5.944 2.651 -5.122 1.00 0.00 C ATOM 1745 CD LYS B 40 -6.934 1.519 -5.355 1.00 0.00 C ATOM 1746 CE LYS B 40 -8.277 1.788 -4.714 1.00 0.00 C ATOM 1747 NZ LYS B 40 -8.943 2.975 -5.295 1.00 0.00 N ATOM 0 H LYS B 40 -3.329 2.375 -4.438 1.00 0.00 H new ATOM 0 HA LYS B 40 -4.682 4.742 -3.811 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -5.314 1.818 -3.254 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -6.470 3.127 -3.103 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -6.369 3.586 -5.487 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -5.038 2.466 -5.699 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -7.069 1.372 -6.427 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -6.523 0.592 -4.956 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -8.919 0.916 -4.838 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -8.144 1.936 -3.642 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -9.933 3.007 -4.979 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -8.452 3.837 -4.982 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -8.913 2.917 -6.333 1.00 0.00 H new ATOM 1761 N LEU B 41 -3.621 2.979 -1.228 1.00 0.00 N ATOM 1762 CA LEU B 41 -3.400 3.017 0.218 1.00 0.00 C ATOM 1763 C LEU B 41 -2.552 4.213 0.605 1.00 0.00 C ATOM 1764 O LEU B 41 -2.847 4.906 1.583 1.00 0.00 O ATOM 1765 CB LEU B 41 -2.744 1.716 0.717 1.00 0.00 C ATOM 1766 CG LEU B 41 -2.429 1.649 2.222 1.00 0.00 C ATOM 1767 CD1 LEU B 41 -3.682 1.847 3.054 1.00 0.00 C ATOM 1768 CD2 LEU B 41 -1.767 0.332 2.574 1.00 0.00 C ATOM 0 H LEU B 41 -3.228 2.158 -1.689 1.00 0.00 H new ATOM 0 HA LEU B 41 -4.375 3.113 0.696 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -3.401 0.883 0.467 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -1.816 1.567 0.165 1.00 0.00 H new ATOM 0 HG LEU B 41 -1.737 2.459 2.452 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -3.428 1.794 4.113 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -4.115 2.822 2.833 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -4.404 1.067 2.815 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -1.553 0.306 3.643 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -2.434 -0.491 2.318 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -0.836 0.232 2.015 1.00 0.00 H new ATOM 1780 N ILE B 42 -1.529 4.468 -0.174 1.00 0.00 N ATOM 1781 CA ILE B 42 -0.641 5.574 0.095 1.00 0.00 C ATOM 1782 C ILE B 42 -1.373 6.888 -0.089 1.00 0.00 C ATOM 1783 O ILE B 42 -1.456 7.675 0.840 1.00 0.00 O ATOM 1784 CB ILE B 42 0.654 5.517 -0.759 1.00 0.00 C ATOM 1785 CG1 ILE B 42 1.444 4.259 -0.394 1.00 0.00 C ATOM 1786 CG2 ILE B 42 1.511 6.761 -0.536 1.00 0.00 C ATOM 1787 CD1 ILE B 42 2.750 4.099 -1.126 1.00 0.00 C ATOM 0 H ILE B 42 -1.290 3.923 -1.002 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.321 5.496 1.134 1.00 0.00 H new ATOM 0 HB ILE B 42 0.379 5.484 -1.813 1.00 0.00 H new ATOM 0 HG12 ILE B 42 1.643 4.270 0.678 1.00 0.00 H new ATOM 0 HG13 ILE B 42 0.822 3.386 -0.593 1.00 0.00 H new ATOM 0 HG21 ILE B 42 2.412 6.696 -1.146 1.00 0.00 H new ATOM 0 HG22 ILE B 42 0.945 7.648 -0.819 1.00 0.00 H new ATOM 0 HG23 ILE B 42 1.789 6.828 0.516 1.00 0.00 H new ATOM 0 HD11 ILE B 42 3.238 3.180 -0.802 1.00 0.00 H new ATOM 0 HD12 ILE B 42 2.562 4.052 -2.199 1.00 0.00 H new ATOM 0 HD13 ILE B 42 3.396 4.949 -0.908 1.00 0.00 H new ATOM 1799 N ASN B 43 -1.965 7.072 -1.256 1.00 0.00 N ATOM 1800 CA ASN B 43 -2.740 8.286 -1.591 1.00 0.00 C ATOM 1801 C ASN B 43 -3.879 8.529 -0.609 1.00 0.00 C ATOM 1802 O ASN B 43 -4.303 9.671 -0.395 1.00 0.00 O ATOM 1803 CB ASN B 43 -3.277 8.219 -3.025 1.00 0.00 C ATOM 1804 CG ASN B 43 -2.178 8.347 -4.067 1.00 0.00 C ATOM 1805 OD1 ASN B 43 -1.178 9.031 -3.857 1.00 0.00 O ATOM 1806 ND2 ASN B 43 -2.341 7.690 -5.176 1.00 0.00 N ATOM 0 H ASN B 43 -1.930 6.388 -2.012 1.00 0.00 H new ATOM 0 HA ASN B 43 -2.054 9.129 -1.514 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -3.801 7.274 -3.169 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -4.007 9.014 -3.173 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -1.627 7.733 -5.904 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -3.182 7.132 -5.319 1.00 0.00 H new ATOM 1813 N LYS B 44 -4.369 7.456 -0.017 1.00 0.00 N ATOM 1814 CA LYS B 44 -5.381 7.528 1.016 1.00 0.00 C ATOM 1815 C LYS B 44 -4.819 8.266 2.224 1.00 0.00 C ATOM 1816 O LYS B 44 -5.378 9.249 2.665 1.00 0.00 O ATOM 1817 CB LYS B 44 -5.808 6.117 1.436 1.00 0.00 C ATOM 1818 CG LYS B 44 -6.898 6.072 2.503 1.00 0.00 C ATOM 1819 CD LYS B 44 -7.126 4.654 3.028 1.00 0.00 C ATOM 1820 CE LYS B 44 -7.550 3.693 1.930 1.00 0.00 C ATOM 1821 NZ LYS B 44 -7.808 2.338 2.457 1.00 0.00 N ATOM 0 H LYS B 44 -4.074 6.506 -0.242 1.00 0.00 H new ATOM 0 HA LYS B 44 -6.248 8.062 0.627 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -6.159 5.581 0.554 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -4.933 5.583 1.807 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -6.622 6.725 3.331 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -7.828 6.459 2.088 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -6.210 4.290 3.493 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -7.891 4.675 3.804 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -8.449 4.071 1.443 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -6.772 3.645 1.169 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -8.095 1.711 1.678 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -6.943 1.967 2.899 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -8.568 2.380 3.165 1.00 0.00 H new ATOM 1835 N PHE B 45 -3.681 7.804 2.711 1.00 0.00 N ATOM 1836 CA PHE B 45 -3.042 8.386 3.884 1.00 0.00 C ATOM 1837 C PHE B 45 -2.367 9.719 3.586 1.00 0.00 C ATOM 1838 O PHE B 45 -2.221 10.566 4.475 1.00 0.00 O ATOM 1839 CB PHE B 45 -2.087 7.400 4.540 1.00 0.00 C ATOM 1840 CG PHE B 45 -2.780 6.365 5.384 1.00 0.00 C ATOM 1841 CD1 PHE B 45 -3.445 5.288 4.817 1.00 0.00 C ATOM 1842 CD2 PHE B 45 -2.766 6.483 6.761 1.00 0.00 C ATOM 1843 CE1 PHE B 45 -4.078 4.352 5.615 1.00 0.00 C ATOM 1844 CE2 PHE B 45 -3.395 5.553 7.562 1.00 0.00 C ATOM 1845 CZ PHE B 45 -4.054 4.487 6.989 1.00 0.00 C ATOM 0 H PHE B 45 -3.173 7.017 2.308 1.00 0.00 H new ATOM 0 HA PHE B 45 -3.836 8.603 4.599 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -1.508 6.897 3.766 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -1.380 7.950 5.161 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -3.469 5.179 3.743 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -2.254 7.317 7.217 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -4.591 3.516 5.163 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -3.371 5.660 8.636 1.00 0.00 H new ATOM 0 HZ PHE B 45 -4.551 3.759 7.613 1.00 0.00 H new ATOM 1855 N MET B 46 -1.961 9.913 2.335 1.00 0.00 N ATOM 1856 CA MET B 46 -1.427 11.208 1.890 1.00 0.00 C ATOM 1857 C MET B 46 -2.565 12.211 1.896 1.00 0.00 C ATOM 1858 O MET B 46 -2.352 13.427 1.964 1.00 0.00 O ATOM 1859 CB MET B 46 -0.861 11.133 0.462 1.00 0.00 C ATOM 1860 CG MET B 46 0.206 10.080 0.245 1.00 0.00 C ATOM 1861 SD MET B 46 0.955 10.163 -1.391 1.00 0.00 S ATOM 1862 CE MET B 46 1.821 11.710 -1.263 1.00 0.00 C ATOM 0 H MET B 46 -1.989 9.197 1.609 1.00 0.00 H new ATOM 0 HA MET B 46 -0.620 11.499 2.563 1.00 0.00 H new ATOM 0 HB2 MET B 46 -1.683 10.942 -0.228 1.00 0.00 H new ATOM 0 HB3 MET B 46 -0.446 12.107 0.201 1.00 0.00 H new ATOM 0 HG2 MET B 46 0.983 10.197 1.001 1.00 0.00 H new ATOM 0 HG3 MET B 46 -0.232 9.092 0.388 1.00 0.00 H new ATOM 0 HE1 MET B 46 1.381 12.431 -1.952 1.00 0.00 H new ATOM 0 HE2 MET B 46 1.743 12.087 -0.243 1.00 0.00 H new ATOM 0 HE3 MET B 46 2.871 11.561 -1.515 1.00 0.00 H new