USER MOD reduce.3.24.130724 H: found=0, std=0, add=764, rem=0, adj=19 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= -1.19 K(o=-2.4,f=-3.4!) USER MOD Set 1.2: B 46 MET CE :methyl 150:sc= -1.18 (180deg=-6!) USER MOD Set 2.1: A 46 MET CE :methyl -139:sc= -1.09 (180deg=-2.17!) USER MOD Set 2.2: B 24 HIS : no HD1:sc= -0.397 X(o=-1.5,f=-1.2) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ -170:sc=-0.00456 (180deg=-0.0963) USER MOD Single : A 8 ASN : amide:sc= -0.0527 K(o=-0.053,f=-1.3!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 174:sc= 1.18 (180deg=1.05) USER MOD Single : A 14 LYS NZ :NH3+ -176:sc= 1.15 (180deg=0.973) USER MOD Single : A 15 LYS NZ :NH3+ -140:sc= -0.367 (180deg=-2.2!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 28 HIS : no HD1:sc= -0.0811 X(o=-0.081,f=-0.57) USER MOD Single : A 30 LYS NZ :NH3+ 170:sc=-0.000936 (180deg=-0.116) USER MOD Single : A 35 SER OG : rot -83:sc= 1.25 USER MOD Single : A 40 LYS NZ :NH3+ 178:sc= 0.45 (180deg=0.417) USER MOD Single : A 43 ASN : amide:sc= 1.14 K(o=1.1,f=-0.082) USER MOD Single : A 44 LYS NZ :NH3+ -167:sc= 0.458 (180deg=0.198) USER MOD Single : B 7 LYS NZ :NH3+ -144:sc= 1.16 (180deg=-1.02!) USER MOD Single : B 8 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : B 9 LYS NZ :NH3+ -167:sc=-0.00921 (180deg=-0.158) USER MOD Single : B 12 ASN : amide:sc= -0.112 X(o=-0.11,f=0) USER MOD Single : B 13 LYS NZ :NH3+ -174:sc= 2.26 (180deg=2.16) USER MOD Single : B 14 LYS NZ :NH3+ 177:sc= 1.86 (180deg=1.76) USER MOD Single : B 15 LYS NZ :NH3+ -143:sc= -0.112 (180deg=-1.58!) USER MOD Single : B 19 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : B 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 30 LYS NZ :NH3+ -140:sc= 1.27 (180deg=0.201) USER MOD Single : B 35 SER OG : rot 1:sc= 1.02 USER MOD Single : B 40 LYS NZ :NH3+ -160:sc= -0.13 (180deg=-0.568) USER MOD Single : B 43 ASN : amide:sc= 0.354 K(o=0.35,f=-0.77) USER MOD Single : B 44 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0297) USER MOD ----------------------------------------------------------------- ATOM 59 N GLN A 5 15.898 -13.846 3.509 1.00 0.00 N ATOM 60 CA GLN A 5 16.605 -12.601 3.220 1.00 0.00 C ATOM 61 C GLN A 5 15.724 -11.689 2.393 1.00 0.00 C ATOM 62 O GLN A 5 15.631 -10.488 2.650 1.00 0.00 O ATOM 63 CB GLN A 5 17.908 -12.871 2.468 1.00 0.00 C ATOM 64 CG GLN A 5 18.938 -13.663 3.249 1.00 0.00 C ATOM 65 CD GLN A 5 20.184 -13.942 2.435 1.00 0.00 C ATOM 66 OE1 GLN A 5 20.290 -14.964 1.763 1.00 0.00 O ATOM 67 NE2 GLN A 5 21.118 -13.045 2.470 1.00 0.00 N ATOM 0 HA GLN A 5 16.846 -12.120 4.168 1.00 0.00 H new ATOM 0 HB2 GLN A 5 17.676 -13.409 1.549 1.00 0.00 H new ATOM 0 HB3 GLN A 5 18.348 -11.917 2.177 1.00 0.00 H new ATOM 0 HG2 GLN A 5 19.210 -13.113 4.150 1.00 0.00 H new ATOM 0 HG3 GLN A 5 18.499 -14.607 3.573 1.00 0.00 H new ATOM 0 HE21 GLN A 5 20.999 -12.207 3.039 1.00 0.00 H new ATOM 0 HE22 GLN A 5 21.972 -13.177 1.929 1.00 0.00 H new ATOM 76 N LEU A 6 15.061 -12.287 1.422 1.00 0.00 N ATOM 77 CA LEU A 6 14.155 -11.602 0.510 1.00 0.00 C ATOM 78 C LEU A 6 13.075 -10.835 1.289 1.00 0.00 C ATOM 79 O LEU A 6 12.858 -9.640 1.050 1.00 0.00 O ATOM 80 CB LEU A 6 13.570 -12.666 -0.479 1.00 0.00 C ATOM 81 CG LEU A 6 12.449 -12.287 -1.482 1.00 0.00 C ATOM 82 CD1 LEU A 6 11.089 -12.229 -0.806 1.00 0.00 C ATOM 83 CD2 LEU A 6 12.757 -10.976 -2.199 1.00 0.00 C ATOM 0 H LEU A 6 15.137 -13.287 1.238 1.00 0.00 H new ATOM 0 HA LEU A 6 14.683 -10.847 -0.072 1.00 0.00 H new ATOM 0 HB2 LEU A 6 14.405 -13.053 -1.063 1.00 0.00 H new ATOM 0 HB3 LEU A 6 13.194 -13.492 0.125 1.00 0.00 H new ATOM 0 HG LEU A 6 12.413 -13.076 -2.233 1.00 0.00 H new ATOM 0 HD11 LEU A 6 10.329 -11.961 -1.540 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.853 -13.204 -0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.108 -11.481 -0.013 1.00 0.00 H new ATOM 0 HD21 LEU A 6 11.950 -10.743 -2.893 1.00 0.00 H new ATOM 0 HD22 LEU A 6 12.849 -10.174 -1.467 1.00 0.00 H new ATOM 0 HD23 LEU A 6 13.693 -11.074 -2.750 1.00 0.00 H new ATOM 95 N LYS A 7 12.454 -11.515 2.245 1.00 0.00 N ATOM 96 CA LYS A 7 11.400 -10.954 3.065 1.00 0.00 C ATOM 97 C LYS A 7 11.941 -9.758 3.838 1.00 0.00 C ATOM 98 O LYS A 7 11.300 -8.713 3.915 1.00 0.00 O ATOM 99 CB LYS A 7 10.894 -12.039 4.034 1.00 0.00 C ATOM 100 CG LYS A 7 9.440 -11.898 4.480 1.00 0.00 C ATOM 101 CD LYS A 7 9.182 -10.743 5.441 1.00 0.00 C ATOM 102 CE LYS A 7 9.848 -10.955 6.797 1.00 0.00 C ATOM 103 NZ LYS A 7 9.270 -12.092 7.551 1.00 0.00 N ATOM 0 H LYS A 7 12.675 -12.485 2.472 1.00 0.00 H new ATOM 0 HA LYS A 7 10.573 -10.618 2.440 1.00 0.00 H new ATOM 0 HB2 LYS A 7 11.017 -13.012 3.558 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.529 -12.035 4.920 1.00 0.00 H new ATOM 0 HG2 LYS A 7 8.814 -11.766 3.598 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.128 -12.827 4.957 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.550 -9.817 4.999 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.108 -10.624 5.582 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.914 -11.128 6.650 1.00 0.00 H new ATOM 0 HE3 LYS A 7 9.751 -10.046 7.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 9.638 -12.086 8.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.234 -12.004 7.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.532 -12.985 7.087 1.00 0.00 H new ATOM 117 N ASN A 8 13.142 -9.902 4.361 1.00 0.00 N ATOM 118 CA ASN A 8 13.770 -8.841 5.132 1.00 0.00 C ATOM 119 C ASN A 8 14.083 -7.625 4.291 1.00 0.00 C ATOM 120 O ASN A 8 13.992 -6.491 4.773 1.00 0.00 O ATOM 121 CB ASN A 8 15.007 -9.311 5.885 1.00 0.00 C ATOM 122 CG ASN A 8 14.681 -10.208 7.061 1.00 0.00 C ATOM 123 OD1 ASN A 8 13.600 -10.109 7.665 1.00 0.00 O ATOM 124 ND2 ASN A 8 15.605 -11.053 7.423 1.00 0.00 N ATOM 0 H ASN A 8 13.707 -10.746 4.267 1.00 0.00 H new ATOM 0 HA ASN A 8 13.031 -8.547 5.877 1.00 0.00 H new ATOM 0 HB2 ASN A 8 15.662 -9.847 5.198 1.00 0.00 H new ATOM 0 HB3 ASN A 8 15.561 -8.442 6.241 1.00 0.00 H new ATOM 0 HD21 ASN A 8 15.453 -11.662 8.227 1.00 0.00 H new ATOM 0 HD22 ASN A 8 16.480 -11.106 6.902 1.00 0.00 H new ATOM 131 N LYS A 9 14.454 -7.843 3.035 1.00 0.00 N ATOM 132 CA LYS A 9 14.728 -6.732 2.135 1.00 0.00 C ATOM 133 C LYS A 9 13.430 -6.003 1.809 1.00 0.00 C ATOM 134 O LYS A 9 13.404 -4.768 1.744 1.00 0.00 O ATOM 135 CB LYS A 9 15.435 -7.182 0.848 1.00 0.00 C ATOM 136 CG LYS A 9 16.748 -7.946 1.065 1.00 0.00 C ATOM 137 CD LYS A 9 17.768 -7.186 1.932 1.00 0.00 C ATOM 138 CE LYS A 9 18.170 -5.845 1.329 1.00 0.00 C ATOM 139 NZ LYS A 9 19.238 -5.194 2.117 1.00 0.00 N ATOM 0 H LYS A 9 14.571 -8.768 2.621 1.00 0.00 H new ATOM 0 HA LYS A 9 15.410 -6.052 2.645 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.754 -7.814 0.279 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.640 -6.303 0.237 1.00 0.00 H new ATOM 0 HG2 LYS A 9 16.527 -8.905 1.535 1.00 0.00 H new ATOM 0 HG3 LYS A 9 17.197 -8.162 0.096 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.345 -7.022 2.923 1.00 0.00 H new ATOM 0 HD3 LYS A 9 18.658 -7.802 2.063 1.00 0.00 H new ATOM 0 HE2 LYS A 9 18.512 -5.993 0.305 1.00 0.00 H new ATOM 0 HE3 LYS A 9 17.300 -5.190 1.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 19.487 -4.284 1.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 18.903 -5.030 3.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 20.077 -5.809 2.139 1.00 0.00 H new ATOM 153 N ILE A 10 12.354 -6.779 1.625 1.00 0.00 N ATOM 154 CA ILE A 10 11.009 -6.232 1.420 1.00 0.00 C ATOM 155 C ILE A 10 10.654 -5.347 2.605 1.00 0.00 C ATOM 156 O ILE A 10 10.305 -4.179 2.429 1.00 0.00 O ATOM 157 CB ILE A 10 9.947 -7.372 1.270 1.00 0.00 C ATOM 158 CG1 ILE A 10 10.176 -8.156 -0.029 1.00 0.00 C ATOM 159 CG2 ILE A 10 8.517 -6.833 1.332 1.00 0.00 C ATOM 160 CD1 ILE A 10 9.205 -9.297 -0.249 1.00 0.00 C ATOM 0 H ILE A 10 12.392 -7.798 1.614 1.00 0.00 H new ATOM 0 HA ILE A 10 11.003 -5.650 0.498 1.00 0.00 H new ATOM 0 HB ILE A 10 10.074 -8.049 2.114 1.00 0.00 H new ATOM 0 HG12 ILE A 10 10.107 -7.468 -0.872 1.00 0.00 H new ATOM 0 HG13 ILE A 10 11.191 -8.554 -0.025 1.00 0.00 H new ATOM 0 HG21 ILE A 10 7.812 -7.658 1.224 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.355 -6.341 2.291 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.363 -6.116 0.526 1.00 0.00 H new ATOM 0 HD11 ILE A 10 9.438 -9.797 -1.189 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.289 -10.010 0.572 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.188 -8.907 -0.288 1.00 0.00 H new ATOM 172 N GLU A 11 10.802 -5.906 3.803 1.00 0.00 N ATOM 173 CA GLU A 11 10.568 -5.191 5.051 1.00 0.00 C ATOM 174 C GLU A 11 11.322 -3.875 5.075 1.00 0.00 C ATOM 175 O GLU A 11 10.732 -2.821 5.283 1.00 0.00 O ATOM 176 CB GLU A 11 11.007 -6.044 6.236 1.00 0.00 C ATOM 177 CG GLU A 11 10.122 -7.233 6.505 1.00 0.00 C ATOM 178 CD GLU A 11 8.757 -6.805 6.940 1.00 0.00 C ATOM 179 OE1 GLU A 11 8.618 -6.365 8.090 1.00 0.00 O ATOM 180 OE2 GLU A 11 7.806 -6.855 6.143 1.00 0.00 O ATOM 0 H GLU A 11 11.090 -6.876 3.934 1.00 0.00 H new ATOM 0 HA GLU A 11 9.500 -4.985 5.123 1.00 0.00 H new ATOM 0 HB2 GLU A 11 12.024 -6.395 6.059 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.036 -5.418 7.128 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.045 -7.843 5.605 1.00 0.00 H new ATOM 0 HG3 GLU A 11 10.573 -7.858 7.276 1.00 0.00 H new ATOM 187 N ASN A 12 12.602 -3.955 4.805 1.00 0.00 N ATOM 188 CA ASN A 12 13.493 -2.805 4.822 1.00 0.00 C ATOM 189 C ASN A 12 13.049 -1.700 3.866 1.00 0.00 C ATOM 190 O ASN A 12 12.933 -0.537 4.266 1.00 0.00 O ATOM 191 CB ASN A 12 14.933 -3.248 4.508 1.00 0.00 C ATOM 192 CG ASN A 12 15.895 -2.085 4.342 1.00 0.00 C ATOM 193 OD1 ASN A 12 16.457 -1.585 5.312 1.00 0.00 O ATOM 194 ND2 ASN A 12 16.137 -1.701 3.123 1.00 0.00 N ATOM 0 H ASN A 12 13.067 -4.830 4.563 1.00 0.00 H new ATOM 0 HA ASN A 12 13.454 -2.382 5.826 1.00 0.00 H new ATOM 0 HB2 ASN A 12 15.290 -3.895 5.310 1.00 0.00 H new ATOM 0 HB3 ASN A 12 14.932 -3.843 3.595 1.00 0.00 H new ATOM 0 HD21 ASN A 12 16.815 -0.959 2.947 1.00 0.00 H new ATOM 0 HD22 ASN A 12 15.649 -2.142 2.343 1.00 0.00 H new ATOM 201 N LYS A 13 12.760 -2.069 2.631 1.00 0.00 N ATOM 202 CA LYS A 13 12.405 -1.096 1.603 1.00 0.00 C ATOM 203 C LYS A 13 11.025 -0.493 1.893 1.00 0.00 C ATOM 204 O LYS A 13 10.798 0.704 1.696 1.00 0.00 O ATOM 205 CB LYS A 13 12.447 -1.764 0.225 1.00 0.00 C ATOM 206 CG LYS A 13 12.415 -0.807 -0.961 1.00 0.00 C ATOM 207 CD LYS A 13 13.604 0.159 -0.945 1.00 0.00 C ATOM 208 CE LYS A 13 14.958 -0.524 -1.109 1.00 0.00 C ATOM 209 NZ LYS A 13 15.183 -1.013 -2.480 1.00 0.00 N ATOM 0 H LYS A 13 12.763 -3.037 2.311 1.00 0.00 H new ATOM 0 HA LYS A 13 13.128 -0.280 1.610 1.00 0.00 H new ATOM 0 HB2 LYS A 13 13.352 -2.369 0.159 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.601 -2.446 0.144 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.423 -1.378 -1.889 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.485 -0.239 -0.945 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.477 0.889 -1.744 1.00 0.00 H new ATOM 0 HD3 LYS A 13 13.598 0.711 -0.005 1.00 0.00 H new ATOM 0 HE2 LYS A 13 15.749 0.177 -0.843 1.00 0.00 H new ATOM 0 HE3 LYS A 13 15.026 -1.360 -0.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 16.154 -1.376 -2.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 14.508 -1.776 -2.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.046 -0.233 -3.154 1.00 0.00 H new ATOM 223 N LYS A 14 10.130 -1.332 2.381 1.00 0.00 N ATOM 224 CA LYS A 14 8.801 -0.925 2.816 1.00 0.00 C ATOM 225 C LYS A 14 8.921 0.112 3.946 1.00 0.00 C ATOM 226 O LYS A 14 8.248 1.130 3.946 1.00 0.00 O ATOM 227 CB LYS A 14 8.049 -2.170 3.312 1.00 0.00 C ATOM 228 CG LYS A 14 6.730 -1.901 4.023 1.00 0.00 C ATOM 229 CD LYS A 14 6.266 -3.111 4.835 1.00 0.00 C ATOM 230 CE LYS A 14 7.121 -3.310 6.077 1.00 0.00 C ATOM 231 NZ LYS A 14 6.731 -4.504 6.860 1.00 0.00 N ATOM 0 H LYS A 14 10.306 -2.331 2.489 1.00 0.00 H new ATOM 0 HA LYS A 14 8.255 -0.472 1.989 1.00 0.00 H new ATOM 0 HB2 LYS A 14 7.855 -2.820 2.458 1.00 0.00 H new ATOM 0 HB3 LYS A 14 8.701 -2.720 3.990 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.842 -1.041 4.683 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.967 -1.642 3.289 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.224 -2.977 5.127 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.310 -4.006 4.214 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.166 -3.401 5.782 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.045 -2.426 6.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.302 -4.551 7.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 5.724 -4.441 7.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.893 -5.360 6.292 1.00 0.00 H new ATOM 245 N LYS A 15 9.806 -0.161 4.877 1.00 0.00 N ATOM 246 CA LYS A 15 10.064 0.712 6.017 1.00 0.00 C ATOM 247 C LYS A 15 10.686 2.036 5.593 1.00 0.00 C ATOM 248 O LYS A 15 10.324 3.090 6.128 1.00 0.00 O ATOM 249 CB LYS A 15 10.895 -0.019 7.069 1.00 0.00 C ATOM 250 CG LYS A 15 10.095 -1.112 7.784 1.00 0.00 C ATOM 251 CD LYS A 15 10.942 -2.071 8.639 1.00 0.00 C ATOM 252 CE LYS A 15 11.578 -1.444 9.898 1.00 0.00 C ATOM 253 NZ LYS A 15 12.657 -0.472 9.608 1.00 0.00 N ATOM 0 H LYS A 15 10.379 -1.005 4.871 1.00 0.00 H new ATOM 0 HA LYS A 15 9.108 0.968 6.474 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.769 -0.464 6.594 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.262 0.699 7.803 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.349 -0.639 8.423 1.00 0.00 H new ATOM 0 HG3 LYS A 15 9.553 -1.694 7.038 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.315 -2.907 8.947 1.00 0.00 H new ATOM 0 HD3 LYS A 15 11.737 -2.481 8.016 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.800 -0.945 10.476 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.979 -2.240 10.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.429 -0.596 10.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 13.019 -0.632 8.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 12.282 0.495 9.680 1.00 0.00 H new ATOM 267 N GLU A 16 11.585 1.989 4.601 1.00 0.00 N ATOM 268 CA GLU A 16 12.161 3.209 4.018 1.00 0.00 C ATOM 269 C GLU A 16 11.031 4.096 3.487 1.00 0.00 C ATOM 270 O GLU A 16 11.045 5.331 3.645 1.00 0.00 O ATOM 271 CB GLU A 16 13.108 2.883 2.852 1.00 0.00 C ATOM 272 CG GLU A 16 14.409 2.181 3.207 1.00 0.00 C ATOM 273 CD GLU A 16 15.258 1.897 1.971 1.00 0.00 C ATOM 274 OE1 GLU A 16 15.580 2.853 1.215 1.00 0.00 O ATOM 275 OE2 GLU A 16 15.632 0.744 1.741 1.00 0.00 O ATOM 0 H GLU A 16 11.929 1.123 4.186 1.00 0.00 H new ATOM 0 HA GLU A 16 12.726 3.719 4.798 1.00 0.00 H new ATOM 0 HB2 GLU A 16 12.568 2.260 2.139 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.352 3.814 2.341 1.00 0.00 H new ATOM 0 HG2 GLU A 16 14.977 2.799 3.903 1.00 0.00 H new ATOM 0 HG3 GLU A 16 14.188 1.244 3.719 1.00 0.00 H new ATOM 282 N LEU A 17 10.037 3.441 2.900 1.00 0.00 N ATOM 283 CA LEU A 17 8.892 4.106 2.333 1.00 0.00 C ATOM 284 C LEU A 17 8.018 4.696 3.408 1.00 0.00 C ATOM 285 O LEU A 17 7.583 5.827 3.283 1.00 0.00 O ATOM 286 CB LEU A 17 8.057 3.147 1.513 1.00 0.00 C ATOM 287 CG LEU A 17 6.740 3.712 1.025 1.00 0.00 C ATOM 288 CD1 LEU A 17 6.886 4.616 -0.140 1.00 0.00 C ATOM 289 CD2 LEU A 17 5.726 2.657 0.837 1.00 0.00 C ATOM 0 H LEU A 17 10.012 2.425 2.808 1.00 0.00 H new ATOM 0 HA LEU A 17 9.274 4.902 1.693 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.640 2.825 0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.856 2.259 2.112 1.00 0.00 H new ATOM 0 HG LEU A 17 6.362 4.355 1.820 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.905 4.986 -0.439 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.524 5.457 0.130 1.00 0.00 H new ATOM 0 HD13 LEU A 17 7.336 4.071 -0.969 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.796 3.105 0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.082 1.937 0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.549 2.149 1.785 1.00 0.00 H new ATOM 301 N ILE A 18 7.754 3.922 4.458 1.00 0.00 N ATOM 302 CA ILE A 18 6.898 4.377 5.557 1.00 0.00 C ATOM 303 C ILE A 18 7.442 5.659 6.138 1.00 0.00 C ATOM 304 O ILE A 18 6.700 6.595 6.364 1.00 0.00 O ATOM 305 CB ILE A 18 6.737 3.307 6.676 1.00 0.00 C ATOM 306 CG1 ILE A 18 6.135 2.033 6.077 1.00 0.00 C ATOM 307 CG2 ILE A 18 5.844 3.843 7.832 1.00 0.00 C ATOM 308 CD1 ILE A 18 6.194 0.831 6.983 1.00 0.00 C ATOM 0 H ILE A 18 8.119 2.977 4.573 1.00 0.00 H new ATOM 0 HA ILE A 18 5.906 4.552 5.140 1.00 0.00 H new ATOM 0 HB ILE A 18 7.718 3.080 7.093 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.094 2.225 5.816 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.658 1.800 5.150 1.00 0.00 H new ATOM 0 HG21 ILE A 18 5.747 3.077 8.602 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.302 4.734 8.262 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.857 4.094 7.443 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.746 -0.026 6.480 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.233 0.608 7.224 1.00 0.00 H new ATOM 0 HD13 ILE A 18 5.645 1.040 7.901 1.00 0.00 H new ATOM 320 N GLN A 19 8.748 5.708 6.310 1.00 0.00 N ATOM 321 CA GLN A 19 9.409 6.893 6.811 1.00 0.00 C ATOM 322 C GLN A 19 9.199 8.087 5.853 1.00 0.00 C ATOM 323 O GLN A 19 9.074 9.226 6.289 1.00 0.00 O ATOM 324 CB GLN A 19 10.892 6.632 7.005 1.00 0.00 C ATOM 325 CG GLN A 19 11.234 5.542 7.999 1.00 0.00 C ATOM 326 CD GLN A 19 12.731 5.388 8.154 1.00 0.00 C ATOM 327 OE1 GLN A 19 13.381 4.618 7.435 1.00 0.00 O ATOM 328 NE2 GLN A 19 13.289 6.108 9.075 1.00 0.00 N ATOM 0 H GLN A 19 9.377 4.931 6.107 1.00 0.00 H new ATOM 0 HA GLN A 19 8.968 7.144 7.775 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.327 6.370 6.040 1.00 0.00 H new ATOM 0 HB3 GLN A 19 11.368 7.558 7.329 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.789 5.776 8.966 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.802 4.597 7.669 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.721 6.732 9.649 1.00 0.00 H new ATOM 0 HE22 GLN A 19 14.296 6.051 9.227 1.00 0.00 H new ATOM 337 N LEU A 20 9.137 7.811 4.554 1.00 0.00 N ATOM 338 CA LEU A 20 8.890 8.845 3.551 1.00 0.00 C ATOM 339 C LEU A 20 7.442 9.317 3.607 1.00 0.00 C ATOM 340 O LEU A 20 7.180 10.518 3.667 1.00 0.00 O ATOM 341 CB LEU A 20 9.236 8.367 2.130 1.00 0.00 C ATOM 342 CG LEU A 20 10.716 8.136 1.816 1.00 0.00 C ATOM 343 CD1 LEU A 20 10.869 7.573 0.420 1.00 0.00 C ATOM 344 CD2 LEU A 20 11.500 9.437 1.934 1.00 0.00 C ATOM 0 H LEU A 20 9.255 6.874 4.168 1.00 0.00 H new ATOM 0 HA LEU A 20 9.547 9.682 3.788 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.701 7.435 1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.850 9.101 1.422 1.00 0.00 H new ATOM 0 HG LEU A 20 11.112 7.422 2.538 1.00 0.00 H new ATOM 0 HD11 LEU A 20 11.926 7.412 0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.336 6.625 0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.455 8.276 -0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 20 12.550 9.251 1.707 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.100 10.168 1.231 1.00 0.00 H new ATOM 0 HD23 LEU A 20 11.411 9.824 2.949 1.00 0.00 H new ATOM 356 N VAL A 21 6.506 8.367 3.592 1.00 0.00 N ATOM 357 CA VAL A 21 5.084 8.671 3.685 1.00 0.00 C ATOM 358 C VAL A 21 4.784 9.417 5.003 1.00 0.00 C ATOM 359 O VAL A 21 3.987 10.357 5.042 1.00 0.00 O ATOM 360 CB VAL A 21 4.255 7.360 3.614 1.00 0.00 C ATOM 361 CG1 VAL A 21 2.774 7.636 3.570 1.00 0.00 C ATOM 362 CG2 VAL A 21 4.657 6.556 2.401 1.00 0.00 C ATOM 0 H VAL A 21 6.714 7.371 3.515 1.00 0.00 H new ATOM 0 HA VAL A 21 4.805 9.312 2.848 1.00 0.00 H new ATOM 0 HB VAL A 21 4.465 6.791 4.519 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.229 6.693 3.521 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.478 8.179 4.467 1.00 0.00 H new ATOM 0 HG13 VAL A 21 2.542 8.236 2.690 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.069 5.639 2.361 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.476 7.142 1.500 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.716 6.306 2.465 1.00 0.00 H new ATOM 372 N ALA A 22 5.465 9.012 6.059 1.00 0.00 N ATOM 373 CA ALA A 22 5.324 9.620 7.363 1.00 0.00 C ATOM 374 C ALA A 22 5.830 11.057 7.371 1.00 0.00 C ATOM 375 O ALA A 22 5.092 11.977 7.749 1.00 0.00 O ATOM 376 CB ALA A 22 6.064 8.801 8.401 1.00 0.00 C ATOM 0 H ALA A 22 6.137 8.245 6.032 1.00 0.00 H new ATOM 0 HA ALA A 22 4.262 9.641 7.608 1.00 0.00 H new ATOM 0 HB1 ALA A 22 5.952 9.267 9.380 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.652 7.792 8.430 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.121 8.754 8.141 1.00 0.00 H new ATOM 382 N ARG A 23 7.069 11.259 6.895 1.00 0.00 N ATOM 383 CA ARG A 23 7.700 12.587 6.899 1.00 0.00 C ATOM 384 C ARG A 23 6.973 13.559 5.971 1.00 0.00 C ATOM 385 O ARG A 23 7.158 14.773 6.071 1.00 0.00 O ATOM 386 CB ARG A 23 9.196 12.526 6.540 1.00 0.00 C ATOM 387 CG ARG A 23 9.490 12.222 5.079 1.00 0.00 C ATOM 388 CD ARG A 23 10.983 12.177 4.809 1.00 0.00 C ATOM 389 NE ARG A 23 11.634 11.006 5.421 1.00 0.00 N ATOM 390 CZ ARG A 23 12.713 11.046 6.218 1.00 0.00 C ATOM 391 NH1 ARG A 23 13.183 12.206 6.673 1.00 0.00 N ATOM 392 NH2 ARG A 23 13.312 9.919 6.569 1.00 0.00 N ATOM 0 H ARG A 23 7.653 10.520 6.503 1.00 0.00 H new ATOM 0 HA ARG A 23 7.619 12.959 7.921 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.656 13.480 6.798 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.673 11.765 7.158 1.00 0.00 H new ATOM 0 HG2 ARG A 23 9.041 11.266 4.808 1.00 0.00 H new ATOM 0 HG3 ARG A 23 9.028 12.981 4.448 1.00 0.00 H new ATOM 0 HD2 ARG A 23 11.154 12.162 3.733 1.00 0.00 H new ATOM 0 HD3 ARG A 23 11.445 13.087 5.192 1.00 0.00 H new ATOM 0 HE ARG A 23 11.232 10.090 5.223 1.00 0.00 H new ATOM 0 HH11 ARG A 23 12.722 13.079 6.416 1.00 0.00 H new ATOM 0 HH12 ARG A 23 14.004 12.222 7.278 1.00 0.00 H new ATOM 0 HH21 ARG A 23 12.953 9.025 6.234 1.00 0.00 H new ATOM 0 HH22 ARG A 23 14.132 9.945 7.175 1.00 0.00 H new ATOM 406 N HIS A 24 6.186 13.012 5.041 1.00 0.00 N ATOM 407 CA HIS A 24 5.367 13.807 4.134 1.00 0.00 C ATOM 408 C HIS A 24 4.441 14.699 4.949 1.00 0.00 C ATOM 409 O HIS A 24 4.274 15.879 4.650 1.00 0.00 O ATOM 410 CB HIS A 24 4.552 12.879 3.197 1.00 0.00 C ATOM 411 CG HIS A 24 3.705 13.590 2.150 1.00 0.00 C ATOM 412 ND1 HIS A 24 3.953 13.539 0.790 1.00 0.00 N ATOM 413 CD2 HIS A 24 2.577 14.324 2.286 1.00 0.00 C ATOM 414 CE1 HIS A 24 2.994 14.226 0.167 1.00 0.00 C ATOM 415 NE2 HIS A 24 2.131 14.724 1.028 1.00 0.00 N ATOM 0 H HIS A 24 6.101 12.006 4.899 1.00 0.00 H new ATOM 0 HA HIS A 24 6.009 14.433 3.514 1.00 0.00 H new ATOM 0 HB2 HIS A 24 5.243 12.208 2.687 1.00 0.00 H new ATOM 0 HB3 HIS A 24 3.898 12.257 3.808 1.00 0.00 H new ATOM 0 HD2 HIS A 24 2.097 14.563 3.223 1.00 0.00 H new ATOM 0 HE1 HIS A 24 2.933 14.357 -0.903 1.00 0.00 H new ATOM 0 HE2 HIS A 24 1.306 15.286 0.818 1.00 0.00 H new ATOM 423 N GLY A 25 3.871 14.135 5.985 1.00 0.00 N ATOM 424 CA GLY A 25 3.007 14.892 6.827 1.00 0.00 C ATOM 425 C GLY A 25 1.965 14.046 7.498 1.00 0.00 C ATOM 426 O GLY A 25 0.813 14.474 7.640 1.00 0.00 O ATOM 0 H GLY A 25 3.995 13.160 6.256 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.601 15.400 7.587 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.516 15.665 6.236 1.00 0.00 H new ATOM 430 N LEU A 26 2.334 12.849 7.909 1.00 0.00 N ATOM 431 CA LEU A 26 1.397 12.013 8.622 1.00 0.00 C ATOM 432 C LEU A 26 1.520 12.215 10.086 1.00 0.00 C ATOM 433 O LEU A 26 2.588 12.552 10.600 1.00 0.00 O ATOM 434 CB LEU A 26 1.567 10.515 8.336 1.00 0.00 C ATOM 435 CG LEU A 26 1.207 10.041 6.959 1.00 0.00 C ATOM 436 CD1 LEU A 26 1.304 8.532 6.832 1.00 0.00 C ATOM 437 CD2 LEU A 26 -0.133 10.566 6.502 1.00 0.00 C ATOM 0 H LEU A 26 3.258 12.442 7.764 1.00 0.00 H new ATOM 0 HA LEU A 26 0.414 12.318 8.264 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.607 10.250 8.525 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.962 9.962 9.054 1.00 0.00 H new ATOM 0 HG LEU A 26 1.950 10.462 6.282 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.035 8.234 5.819 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.325 8.214 7.044 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.623 8.063 7.541 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -0.347 10.194 5.500 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.910 10.228 7.188 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.111 11.656 6.488 1.00 0.00 H new ATOM 449 N ASP A 27 0.433 12.018 10.746 1.00 0.00 N ATOM 450 CA ASP A 27 0.409 12.007 12.183 1.00 0.00 C ATOM 451 C ASP A 27 0.916 10.648 12.594 1.00 0.00 C ATOM 452 O ASP A 27 0.874 9.714 11.776 1.00 0.00 O ATOM 453 CB ASP A 27 -1.026 12.203 12.705 1.00 0.00 C ATOM 454 CG ASP A 27 -1.116 12.229 14.217 1.00 0.00 C ATOM 455 OD1 ASP A 27 -0.921 13.296 14.821 1.00 0.00 O ATOM 456 OD2 ASP A 27 -1.400 11.183 14.826 1.00 0.00 O ATOM 0 H ASP A 27 -0.475 11.858 10.310 1.00 0.00 H new ATOM 0 HA ASP A 27 1.018 12.813 12.591 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -1.425 13.137 12.308 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -1.656 11.399 12.324 1.00 0.00 H new ATOM 461 N HIS A 28 1.393 10.520 13.807 1.00 0.00 N ATOM 462 CA HIS A 28 1.889 9.251 14.320 1.00 0.00 C ATOM 463 C HIS A 28 0.824 8.159 14.165 1.00 0.00 C ATOM 464 O HIS A 28 1.144 7.013 13.867 1.00 0.00 O ATOM 465 CB HIS A 28 2.300 9.408 15.786 1.00 0.00 C ATOM 466 CG HIS A 28 2.984 8.203 16.379 1.00 0.00 C ATOM 467 ND1 HIS A 28 2.713 7.702 17.632 1.00 0.00 N ATOM 468 CD2 HIS A 28 3.961 7.414 15.867 1.00 0.00 C ATOM 469 CE1 HIS A 28 3.508 6.652 17.836 1.00 0.00 C ATOM 470 NE2 HIS A 28 4.288 6.430 16.793 1.00 0.00 N ATOM 0 H HIS A 28 1.452 11.290 14.474 1.00 0.00 H new ATOM 0 HA HIS A 28 2.765 8.952 13.744 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.966 10.267 15.873 1.00 0.00 H new ATOM 0 HB3 HIS A 28 1.412 9.632 16.377 1.00 0.00 H new ATOM 0 HD2 HIS A 28 4.414 7.532 14.893 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.514 6.059 18.738 1.00 0.00 H new ATOM 0 HE2 HIS A 28 4.984 5.692 16.689 1.00 0.00 H new ATOM 478 N ASP A 29 -0.435 8.549 14.305 1.00 0.00 N ATOM 479 CA ASP A 29 -1.563 7.626 14.160 1.00 0.00 C ATOM 480 C ASP A 29 -1.615 7.090 12.732 1.00 0.00 C ATOM 481 O ASP A 29 -1.705 5.883 12.512 1.00 0.00 O ATOM 482 CB ASP A 29 -2.865 8.344 14.503 1.00 0.00 C ATOM 483 CG ASP A 29 -4.076 7.454 14.429 1.00 0.00 C ATOM 484 OD1 ASP A 29 -4.319 6.696 15.391 1.00 0.00 O ATOM 485 OD2 ASP A 29 -4.819 7.523 13.434 1.00 0.00 O ATOM 0 H ASP A 29 -0.708 9.508 14.521 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.432 6.788 14.844 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.789 8.758 15.508 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.998 9.184 13.821 1.00 0.00 H new ATOM 490 N LYS A 30 -1.471 8.004 11.772 1.00 0.00 N ATOM 491 CA LYS A 30 -1.460 7.665 10.351 1.00 0.00 C ATOM 492 C LYS A 30 -0.328 6.690 10.028 1.00 0.00 C ATOM 493 O LYS A 30 -0.544 5.720 9.324 1.00 0.00 O ATOM 494 CB LYS A 30 -1.361 8.936 9.477 1.00 0.00 C ATOM 495 CG LYS A 30 -2.648 9.757 9.377 1.00 0.00 C ATOM 496 CD LYS A 30 -3.728 9.031 8.568 1.00 0.00 C ATOM 497 CE LYS A 30 -5.005 9.862 8.421 1.00 0.00 C ATOM 498 NZ LYS A 30 -4.777 11.146 7.705 1.00 0.00 N ATOM 0 H LYS A 30 -1.359 9.000 11.959 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.404 7.172 10.119 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.572 9.573 9.878 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.056 8.644 8.472 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.024 9.966 10.379 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -2.430 10.718 8.911 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.338 8.792 7.579 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.967 8.085 9.054 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.753 9.279 7.883 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.414 10.070 9.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.692 11.588 7.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -4.221 11.785 8.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.258 10.964 6.822 1.00 0.00 H new ATOM 512 N VAL A 31 0.863 6.942 10.574 1.00 0.00 N ATOM 513 CA VAL A 31 2.017 6.067 10.376 1.00 0.00 C ATOM 514 C VAL A 31 1.726 4.660 10.922 1.00 0.00 C ATOM 515 O VAL A 31 2.046 3.660 10.281 1.00 0.00 O ATOM 516 CB VAL A 31 3.294 6.622 11.073 1.00 0.00 C ATOM 517 CG1 VAL A 31 4.527 5.807 10.709 1.00 0.00 C ATOM 518 CG2 VAL A 31 3.504 8.094 10.761 1.00 0.00 C ATOM 0 H VAL A 31 1.053 7.753 11.162 1.00 0.00 H new ATOM 0 HA VAL A 31 2.199 6.022 9.302 1.00 0.00 H new ATOM 0 HB VAL A 31 3.140 6.529 12.148 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.400 6.222 11.213 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.385 4.773 11.022 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.680 5.841 9.630 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.404 8.448 11.264 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.614 8.226 9.685 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.645 8.666 11.110 1.00 0.00 H new ATOM 528 N LEU A 32 1.097 4.591 12.090 1.00 0.00 N ATOM 529 CA LEU A 32 0.763 3.308 12.722 1.00 0.00 C ATOM 530 C LEU A 32 -0.198 2.526 11.870 1.00 0.00 C ATOM 531 O LEU A 32 0.001 1.336 11.624 1.00 0.00 O ATOM 532 CB LEU A 32 0.170 3.511 14.118 1.00 0.00 C ATOM 533 CG LEU A 32 1.031 4.285 15.111 1.00 0.00 C ATOM 534 CD1 LEU A 32 0.389 4.292 16.475 1.00 0.00 C ATOM 535 CD2 LEU A 32 2.441 3.733 15.170 1.00 0.00 C ATOM 0 H LEU A 32 0.805 5.409 12.625 1.00 0.00 H new ATOM 0 HA LEU A 32 1.690 2.744 12.820 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.782 4.031 14.013 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.047 2.531 14.544 1.00 0.00 H new ATOM 0 HG LEU A 32 1.102 5.316 14.763 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.018 4.849 17.170 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.591 4.765 16.413 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.276 3.267 16.829 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.027 4.308 15.887 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.410 2.689 15.481 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.901 3.805 14.185 1.00 0.00 H new ATOM 547 N LEU A 33 -1.211 3.198 11.396 1.00 0.00 N ATOM 548 CA LEU A 33 -2.213 2.582 10.555 1.00 0.00 C ATOM 549 C LEU A 33 -1.612 2.177 9.226 1.00 0.00 C ATOM 550 O LEU A 33 -1.828 1.062 8.760 1.00 0.00 O ATOM 551 CB LEU A 33 -3.343 3.547 10.297 1.00 0.00 C ATOM 552 CG LEU A 33 -4.060 4.117 11.501 1.00 0.00 C ATOM 553 CD1 LEU A 33 -5.008 5.206 11.045 1.00 0.00 C ATOM 554 CD2 LEU A 33 -4.810 3.027 12.247 1.00 0.00 C ATOM 0 H LEU A 33 -1.370 4.189 11.579 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.590 1.699 11.072 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.949 4.380 9.714 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.081 3.043 9.673 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.328 4.542 12.188 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.528 5.621 11.909 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.444 5.995 10.548 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.736 4.787 10.350 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.318 3.459 13.109 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.545 2.572 11.583 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.106 2.267 12.585 1.00 0.00 H new ATOM 566 N PHE A 34 -0.856 3.081 8.636 1.00 0.00 N ATOM 567 CA PHE A 34 -0.243 2.860 7.349 1.00 0.00 C ATOM 568 C PHE A 34 0.722 1.697 7.382 1.00 0.00 C ATOM 569 O PHE A 34 0.627 0.808 6.550 1.00 0.00 O ATOM 570 CB PHE A 34 0.450 4.130 6.843 1.00 0.00 C ATOM 571 CG PHE A 34 1.185 3.943 5.553 1.00 0.00 C ATOM 572 CD1 PHE A 34 0.508 3.618 4.396 1.00 0.00 C ATOM 573 CD2 PHE A 34 2.556 4.095 5.498 1.00 0.00 C ATOM 574 CE1 PHE A 34 1.179 3.449 3.219 1.00 0.00 C ATOM 575 CE2 PHE A 34 3.231 3.923 4.313 1.00 0.00 C ATOM 576 CZ PHE A 34 2.541 3.598 3.172 1.00 0.00 C ATOM 0 H PHE A 34 -0.651 3.994 9.042 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.040 2.606 6.650 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -0.297 4.914 6.715 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.150 4.478 7.602 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -0.565 3.496 4.421 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.103 4.351 6.393 1.00 0.00 H new ATOM 0 HE1 PHE A 34 0.634 3.197 2.321 1.00 0.00 H new ATOM 0 HE2 PHE A 34 4.304 4.044 4.280 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.069 3.460 2.240 1.00 0.00 H new ATOM 586 N SER A 35 1.613 1.685 8.363 1.00 0.00 N ATOM 587 CA SER A 35 2.621 0.648 8.468 1.00 0.00 C ATOM 588 C SER A 35 1.997 -0.740 8.544 1.00 0.00 C ATOM 589 O SER A 35 2.385 -1.632 7.798 1.00 0.00 O ATOM 590 CB SER A 35 3.567 0.913 9.654 1.00 0.00 C ATOM 591 OG SER A 35 2.842 1.134 10.861 1.00 0.00 O ATOM 0 H SER A 35 1.655 2.388 9.101 1.00 0.00 H new ATOM 0 HA SER A 35 3.219 0.677 7.557 1.00 0.00 H new ATOM 0 HB2 SER A 35 4.238 0.064 9.782 1.00 0.00 H new ATOM 0 HB3 SER A 35 4.189 1.782 9.438 1.00 0.00 H new ATOM 0 HG SER A 35 2.552 2.069 10.902 1.00 0.00 H new ATOM 597 N ARG A 36 0.976 -0.893 9.378 1.00 0.00 N ATOM 598 CA ARG A 36 0.354 -2.192 9.558 1.00 0.00 C ATOM 599 C ARG A 36 -0.516 -2.586 8.363 1.00 0.00 C ATOM 600 O ARG A 36 -0.626 -3.774 8.034 1.00 0.00 O ATOM 601 CB ARG A 36 -0.432 -2.245 10.867 1.00 0.00 C ATOM 602 CG ARG A 36 -1.573 -1.251 10.964 1.00 0.00 C ATOM 603 CD ARG A 36 -2.146 -1.224 12.358 1.00 0.00 C ATOM 604 NE ARG A 36 -2.638 -2.551 12.764 1.00 0.00 N ATOM 605 CZ ARG A 36 -2.833 -2.949 14.024 1.00 0.00 C ATOM 606 NH1 ARG A 36 -2.523 -2.151 15.030 1.00 0.00 N ATOM 607 NH2 ARG A 36 -3.315 -4.159 14.276 1.00 0.00 N ATOM 0 H ARG A 36 0.567 -0.141 9.933 1.00 0.00 H new ATOM 0 HA ARG A 36 1.155 -2.929 9.617 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -0.833 -3.251 10.993 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.255 -2.070 11.695 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.218 -0.257 10.693 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.353 -1.516 10.251 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.383 -0.887 13.060 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.962 -0.503 12.403 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.847 -3.220 12.023 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.133 -1.227 14.846 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.674 -2.459 15.991 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.538 -4.790 13.506 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -3.462 -4.459 15.240 1.00 0.00 H new ATOM 621 N ASP A 37 -1.099 -1.594 7.698 1.00 0.00 N ATOM 622 CA ASP A 37 -1.979 -1.854 6.563 1.00 0.00 C ATOM 623 C ASP A 37 -1.133 -2.245 5.372 1.00 0.00 C ATOM 624 O ASP A 37 -1.398 -3.236 4.708 1.00 0.00 O ATOM 625 CB ASP A 37 -2.790 -0.614 6.219 1.00 0.00 C ATOM 626 CG ASP A 37 -4.074 -0.939 5.495 1.00 0.00 C ATOM 627 OD1 ASP A 37 -4.071 -1.725 4.536 1.00 0.00 O ATOM 628 OD2 ASP A 37 -5.138 -0.416 5.906 1.00 0.00 O ATOM 0 H ASP A 37 -0.979 -0.607 7.924 1.00 0.00 H new ATOM 0 HA ASP A 37 -2.668 -2.658 6.821 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.022 -0.071 7.135 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.186 0.049 5.600 1.00 0.00 H new ATOM 633 N LEU A 38 -0.083 -1.476 5.147 1.00 0.00 N ATOM 634 CA LEU A 38 0.888 -1.732 4.095 1.00 0.00 C ATOM 635 C LEU A 38 1.516 -3.095 4.297 1.00 0.00 C ATOM 636 O LEU A 38 1.648 -3.878 3.356 1.00 0.00 O ATOM 637 CB LEU A 38 1.952 -0.622 4.107 1.00 0.00 C ATOM 638 CG LEU A 38 3.259 -0.858 3.338 1.00 0.00 C ATOM 639 CD1 LEU A 38 3.011 -1.208 1.893 1.00 0.00 C ATOM 640 CD2 LEU A 38 4.116 0.378 3.423 1.00 0.00 C ATOM 0 H LEU A 38 0.124 -0.643 5.698 1.00 0.00 H new ATOM 0 HA LEU A 38 0.394 -1.730 3.123 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.492 0.283 3.711 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.210 -0.420 5.147 1.00 0.00 H new ATOM 0 HG LEU A 38 3.770 -1.705 3.796 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.964 -1.366 1.388 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.415 -2.119 1.836 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.475 -0.392 1.408 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.046 0.214 2.878 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.582 1.222 2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.341 0.594 4.467 1.00 0.00 H new ATOM 652 N ASP A 39 1.851 -3.383 5.530 1.00 0.00 N ATOM 653 CA ASP A 39 2.430 -4.656 5.899 1.00 0.00 C ATOM 654 C ASP A 39 1.484 -5.802 5.548 1.00 0.00 C ATOM 655 O ASP A 39 1.915 -6.847 5.044 1.00 0.00 O ATOM 656 CB ASP A 39 2.759 -4.665 7.391 1.00 0.00 C ATOM 657 CG ASP A 39 3.424 -5.928 7.860 1.00 0.00 C ATOM 658 OD1 ASP A 39 4.647 -6.054 7.689 1.00 0.00 O ATOM 659 OD2 ASP A 39 2.742 -6.796 8.435 1.00 0.00 O ATOM 0 H ASP A 39 1.730 -2.739 6.312 1.00 0.00 H new ATOM 0 HA ASP A 39 3.352 -4.798 5.336 1.00 0.00 H new ATOM 0 HB2 ASP A 39 3.409 -3.819 7.615 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.839 -4.519 7.957 1.00 0.00 H new ATOM 664 N LYS A 40 0.185 -5.586 5.730 1.00 0.00 N ATOM 665 CA LYS A 40 -0.755 -6.644 5.452 1.00 0.00 C ATOM 666 C LYS A 40 -1.018 -6.751 3.967 1.00 0.00 C ATOM 667 O LYS A 40 -1.271 -7.827 3.466 1.00 0.00 O ATOM 668 CB LYS A 40 -2.076 -6.504 6.213 1.00 0.00 C ATOM 669 CG LYS A 40 -3.171 -5.661 5.554 1.00 0.00 C ATOM 670 CD LYS A 40 -4.487 -5.820 6.300 1.00 0.00 C ATOM 671 CE LYS A 40 -5.659 -5.181 5.560 1.00 0.00 C ATOM 672 NZ LYS A 40 -5.567 -3.717 5.473 1.00 0.00 N ATOM 0 H LYS A 40 -0.224 -4.711 6.059 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.286 -7.562 5.808 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.475 -7.503 6.385 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.860 -6.074 7.191 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.875 -4.612 5.546 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.296 -5.965 4.515 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.690 -6.880 6.449 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -4.397 -5.370 7.289 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.712 -5.595 4.553 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.587 -5.450 6.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.375 -3.350 4.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.580 -3.311 6.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.681 -3.453 4.997 1.00 0.00 H new ATOM 686 N LEU A 41 -0.944 -5.621 3.273 1.00 0.00 N ATOM 687 CA LEU A 41 -1.158 -5.562 1.833 1.00 0.00 C ATOM 688 C LEU A 41 -0.102 -6.422 1.151 1.00 0.00 C ATOM 689 O LEU A 41 -0.381 -7.147 0.197 1.00 0.00 O ATOM 690 CB LEU A 41 -1.079 -4.091 1.366 1.00 0.00 C ATOM 691 CG LEU A 41 -1.681 -3.722 -0.004 1.00 0.00 C ATOM 692 CD1 LEU A 41 -1.668 -2.259 -0.187 1.00 0.00 C ATOM 693 CD2 LEU A 41 -0.958 -4.334 -1.149 1.00 0.00 C ATOM 0 H LEU A 41 -0.733 -4.717 3.696 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.144 -5.945 1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.570 -3.477 2.120 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.028 -3.802 1.355 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.698 -4.114 0.003 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.096 -2.010 -1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.257 -1.789 0.600 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.642 -1.895 -0.138 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.434 -4.033 -2.082 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.079 -3.998 -1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.988 -5.420 -1.060 1.00 0.00 H new ATOM 705 N ILE A 42 1.078 -6.381 1.691 1.00 0.00 N ATOM 706 CA ILE A 42 2.182 -7.172 1.162 1.00 0.00 C ATOM 707 C ILE A 42 1.912 -8.646 1.413 1.00 0.00 C ATOM 708 O ILE A 42 1.837 -9.430 0.478 1.00 0.00 O ATOM 709 CB ILE A 42 3.537 -6.754 1.776 1.00 0.00 C ATOM 710 CG1 ILE A 42 3.802 -5.281 1.480 1.00 0.00 C ATOM 711 CG2 ILE A 42 4.669 -7.613 1.221 1.00 0.00 C ATOM 712 CD1 ILE A 42 5.084 -4.769 2.066 1.00 0.00 C ATOM 0 H ILE A 42 1.316 -5.810 2.502 1.00 0.00 H new ATOM 0 HA ILE A 42 2.250 -6.990 0.089 1.00 0.00 H new ATOM 0 HB ILE A 42 3.493 -6.903 2.855 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.823 -5.135 0.400 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.974 -4.687 1.866 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.614 -7.302 1.667 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.482 -8.660 1.460 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.721 -7.492 0.139 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.204 -3.715 1.814 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.059 -4.882 3.150 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.922 -5.337 1.661 1.00 0.00 H new ATOM 724 N ASN A 43 1.694 -8.989 2.671 1.00 0.00 N ATOM 725 CA ASN A 43 1.359 -10.367 3.115 1.00 0.00 C ATOM 726 C ASN A 43 0.129 -10.928 2.378 1.00 0.00 C ATOM 727 O ASN A 43 -0.013 -12.146 2.204 1.00 0.00 O ATOM 728 CB ASN A 43 1.145 -10.400 4.639 1.00 0.00 C ATOM 729 CG ASN A 43 2.455 -10.395 5.436 1.00 0.00 C ATOM 730 OD1 ASN A 43 2.966 -11.438 5.805 1.00 0.00 O ATOM 731 ND2 ASN A 43 2.982 -9.234 5.748 1.00 0.00 N ATOM 0 H ASN A 43 1.741 -8.320 3.439 1.00 0.00 H new ATOM 0 HA ASN A 43 2.203 -11.009 2.863 1.00 0.00 H new ATOM 0 HB2 ASN A 43 0.545 -9.539 4.933 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.573 -11.291 4.899 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.833 -9.194 6.308 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.540 -8.371 5.430 1.00 0.00 H new ATOM 738 N LYS A 44 -0.757 -10.035 1.980 1.00 0.00 N ATOM 739 CA LYS A 44 -1.940 -10.345 1.182 1.00 0.00 C ATOM 740 C LYS A 44 -1.511 -10.946 -0.161 1.00 0.00 C ATOM 741 O LYS A 44 -2.031 -11.977 -0.599 1.00 0.00 O ATOM 742 CB LYS A 44 -2.717 -9.042 0.931 1.00 0.00 C ATOM 743 CG LYS A 44 -4.018 -9.169 0.146 1.00 0.00 C ATOM 744 CD LYS A 44 -4.512 -7.796 -0.348 1.00 0.00 C ATOM 745 CE LYS A 44 -4.766 -6.807 0.789 1.00 0.00 C ATOM 746 NZ LYS A 44 -5.177 -5.464 0.292 1.00 0.00 N ATOM 0 H LYS A 44 -0.676 -9.044 2.207 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.568 -11.062 1.711 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.943 -8.588 1.896 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.063 -8.351 0.399 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.867 -9.832 -0.706 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.781 -9.627 0.775 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -3.774 -7.375 -1.030 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.432 -7.930 -0.917 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -5.542 -7.202 1.444 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.862 -6.708 1.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.124 -4.775 1.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.541 -5.169 -0.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -6.153 -5.510 -0.065 1.00 0.00 H new ATOM 760 N PHE A 45 -0.551 -10.309 -0.788 1.00 0.00 N ATOM 761 CA PHE A 45 -0.050 -10.738 -2.074 1.00 0.00 C ATOM 762 C PHE A 45 0.983 -11.834 -1.957 1.00 0.00 C ATOM 763 O PHE A 45 1.085 -12.688 -2.824 1.00 0.00 O ATOM 764 CB PHE A 45 0.450 -9.547 -2.885 1.00 0.00 C ATOM 765 CG PHE A 45 -0.682 -8.767 -3.483 1.00 0.00 C ATOM 766 CD1 PHE A 45 -1.333 -7.777 -2.766 1.00 0.00 C ATOM 767 CD2 PHE A 45 -1.114 -9.051 -4.761 1.00 0.00 C ATOM 768 CE1 PHE A 45 -2.394 -7.088 -3.317 1.00 0.00 C ATOM 769 CE2 PHE A 45 -2.169 -8.367 -5.318 1.00 0.00 C ATOM 770 CZ PHE A 45 -2.814 -7.383 -4.595 1.00 0.00 C ATOM 0 H PHE A 45 -0.093 -9.475 -0.420 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.884 -11.180 -2.620 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.043 -8.894 -2.244 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.109 -9.899 -3.679 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.006 -7.541 -1.764 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.617 -9.821 -5.332 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.894 -6.319 -2.747 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.493 -8.600 -6.322 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.645 -6.847 -5.030 1.00 0.00 H new ATOM 780 N MET A 46 1.713 -11.843 -0.860 1.00 0.00 N ATOM 781 CA MET A 46 2.716 -12.885 -0.623 1.00 0.00 C ATOM 782 C MET A 46 2.014 -14.210 -0.393 1.00 0.00 C ATOM 783 O MET A 46 2.538 -15.277 -0.721 1.00 0.00 O ATOM 784 CB MET A 46 3.579 -12.569 0.608 1.00 0.00 C ATOM 785 CG MET A 46 4.262 -11.217 0.574 1.00 0.00 C ATOM 786 SD MET A 46 5.341 -10.936 1.983 1.00 0.00 S ATOM 787 CE MET A 46 6.666 -12.067 1.614 1.00 0.00 C ATOM 0 H MET A 46 1.638 -11.149 -0.117 1.00 0.00 H new ATOM 0 HA MET A 46 3.364 -12.933 -1.498 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.951 -12.621 1.498 1.00 0.00 H new ATOM 0 HB3 MET A 46 4.340 -13.343 0.709 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.844 -11.134 -0.344 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.504 -10.434 0.543 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.982 -12.568 2.529 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.321 -12.810 0.895 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.507 -11.517 1.192 1.00 0.00 H new ATOM 1151 N LEU B 6 9.011 14.984 -2.605 1.00 0.00 N ATOM 1152 CA LEU B 6 9.012 13.994 -1.560 1.00 0.00 C ATOM 1153 C LEU B 6 8.134 12.820 -1.995 1.00 0.00 C ATOM 1154 O LEU B 6 8.540 11.669 -1.900 1.00 0.00 O ATOM 1155 CB LEU B 6 8.545 14.646 -0.225 1.00 0.00 C ATOM 1156 CG LEU B 6 8.454 13.771 1.053 1.00 0.00 C ATOM 1157 CD1 LEU B 6 7.206 12.922 1.065 1.00 0.00 C ATOM 1158 CD2 LEU B 6 9.679 12.887 1.209 1.00 0.00 C ATOM 0 HA LEU B 6 10.015 13.606 -1.384 1.00 0.00 H new ATOM 0 HB2 LEU B 6 9.222 15.473 -0.009 1.00 0.00 H new ATOM 0 HB3 LEU B 6 7.559 15.078 -0.398 1.00 0.00 H new ATOM 0 HG LEU B 6 8.408 14.459 1.898 1.00 0.00 H new ATOM 0 HD11 LEU B 6 7.181 12.325 1.976 1.00 0.00 H new ATOM 0 HD12 LEU B 6 6.327 13.566 1.029 1.00 0.00 H new ATOM 0 HD13 LEU B 6 7.207 12.261 0.198 1.00 0.00 H new ATOM 0 HD21 LEU B 6 9.582 12.288 2.114 1.00 0.00 H new ATOM 0 HD22 LEU B 6 9.765 12.228 0.345 1.00 0.00 H new ATOM 0 HD23 LEU B 6 10.571 13.510 1.280 1.00 0.00 H new ATOM 1170 N LYS B 7 6.959 13.136 -2.515 1.00 0.00 N ATOM 1171 CA LYS B 7 6.012 12.134 -2.987 1.00 0.00 C ATOM 1172 C LYS B 7 6.608 11.404 -4.199 1.00 0.00 C ATOM 1173 O LYS B 7 6.346 10.234 -4.415 1.00 0.00 O ATOM 1174 CB LYS B 7 4.673 12.810 -3.321 1.00 0.00 C ATOM 1175 CG LYS B 7 3.421 12.043 -2.863 1.00 0.00 C ATOM 1176 CD LYS B 7 3.080 10.812 -3.710 1.00 0.00 C ATOM 1177 CE LYS B 7 2.713 11.199 -5.137 1.00 0.00 C ATOM 1178 NZ LYS B 7 2.196 10.054 -5.914 1.00 0.00 N ATOM 0 H LYS B 7 6.633 14.096 -2.623 1.00 0.00 H new ATOM 0 HA LYS B 7 5.822 11.393 -2.211 1.00 0.00 H new ATOM 0 HB2 LYS B 7 4.660 13.800 -2.865 1.00 0.00 H new ATOM 0 HB3 LYS B 7 4.616 12.955 -4.400 1.00 0.00 H new ATOM 0 HG2 LYS B 7 3.562 11.728 -1.829 1.00 0.00 H new ATOM 0 HG3 LYS B 7 2.570 12.723 -2.876 1.00 0.00 H new ATOM 0 HD2 LYS B 7 3.932 10.132 -3.724 1.00 0.00 H new ATOM 0 HD3 LYS B 7 2.250 10.274 -3.253 1.00 0.00 H new ATOM 0 HE2 LYS B 7 1.962 11.989 -5.115 1.00 0.00 H new ATOM 0 HE3 LYS B 7 3.591 11.608 -5.637 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 2.518 10.130 -6.900 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 2.549 9.167 -5.502 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 1.156 10.058 -5.888 1.00 0.00 H new ATOM 1192 N ASN B 8 7.427 12.123 -4.964 1.00 0.00 N ATOM 1193 CA ASN B 8 8.207 11.549 -6.075 1.00 0.00 C ATOM 1194 C ASN B 8 9.121 10.428 -5.553 1.00 0.00 C ATOM 1195 O ASN B 8 9.204 9.343 -6.144 1.00 0.00 O ATOM 1196 CB ASN B 8 9.071 12.643 -6.727 1.00 0.00 C ATOM 1197 CG ASN B 8 10.009 12.123 -7.813 1.00 0.00 C ATOM 1198 OD1 ASN B 8 9.704 11.172 -8.529 1.00 0.00 O ATOM 1199 ND2 ASN B 8 11.165 12.726 -7.915 1.00 0.00 N ATOM 0 H ASN B 8 7.574 13.124 -4.836 1.00 0.00 H new ATOM 0 HA ASN B 8 7.517 11.140 -6.813 1.00 0.00 H new ATOM 0 HB2 ASN B 8 8.417 13.401 -7.158 1.00 0.00 H new ATOM 0 HB3 ASN B 8 9.662 13.134 -5.954 1.00 0.00 H new ATOM 0 HD21 ASN B 8 11.846 12.410 -8.605 1.00 0.00 H new ATOM 0 HD22 ASN B 8 11.385 13.513 -7.304 1.00 0.00 H new ATOM 1206 N LYS B 9 9.789 10.693 -4.435 1.00 0.00 N ATOM 1207 CA LYS B 9 10.654 9.697 -3.815 1.00 0.00 C ATOM 1208 C LYS B 9 9.833 8.575 -3.200 1.00 0.00 C ATOM 1209 O LYS B 9 10.275 7.422 -3.161 1.00 0.00 O ATOM 1210 CB LYS B 9 11.600 10.318 -2.789 1.00 0.00 C ATOM 1211 CG LYS B 9 12.712 11.159 -3.407 1.00 0.00 C ATOM 1212 CD LYS B 9 13.645 11.732 -2.346 1.00 0.00 C ATOM 1213 CE LYS B 9 12.995 12.857 -1.550 1.00 0.00 C ATOM 1214 NZ LYS B 9 12.787 14.068 -2.377 1.00 0.00 N ATOM 0 H LYS B 9 9.748 11.585 -3.942 1.00 0.00 H new ATOM 0 HA LYS B 9 11.276 9.271 -4.602 1.00 0.00 H new ATOM 0 HB2 LYS B 9 11.022 10.941 -2.107 1.00 0.00 H new ATOM 0 HB3 LYS B 9 12.047 9.523 -2.193 1.00 0.00 H new ATOM 0 HG2 LYS B 9 13.286 10.548 -4.104 1.00 0.00 H new ATOM 0 HG3 LYS B 9 12.274 11.973 -3.984 1.00 0.00 H new ATOM 0 HD2 LYS B 9 13.949 10.937 -1.665 1.00 0.00 H new ATOM 0 HD3 LYS B 9 14.550 12.105 -2.825 1.00 0.00 H new ATOM 0 HE2 LYS B 9 12.037 12.517 -1.156 1.00 0.00 H new ATOM 0 HE3 LYS B 9 13.622 13.105 -0.693 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 12.553 14.873 -1.761 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 13.656 14.280 -2.907 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 12.006 13.903 -3.044 1.00 0.00 H new ATOM 1228 N ILE B 10 8.644 8.923 -2.715 1.00 0.00 N ATOM 1229 CA ILE B 10 7.686 7.943 -2.217 1.00 0.00 C ATOM 1230 C ILE B 10 7.345 6.973 -3.329 1.00 0.00 C ATOM 1231 O ILE B 10 7.408 5.768 -3.129 1.00 0.00 O ATOM 1232 CB ILE B 10 6.388 8.622 -1.662 1.00 0.00 C ATOM 1233 CG1 ILE B 10 6.711 9.377 -0.369 1.00 0.00 C ATOM 1234 CG2 ILE B 10 5.252 7.614 -1.447 1.00 0.00 C ATOM 1235 CD1 ILE B 10 5.525 10.059 0.277 1.00 0.00 C ATOM 0 H ILE B 10 8.319 9.888 -2.657 1.00 0.00 H new ATOM 0 HA ILE B 10 8.143 7.407 -1.385 1.00 0.00 H new ATOM 0 HB ILE B 10 6.033 9.331 -2.410 1.00 0.00 H new ATOM 0 HG12 ILE B 10 7.144 8.677 0.346 1.00 0.00 H new ATOM 0 HG13 ILE B 10 7.472 10.127 -0.583 1.00 0.00 H new ATOM 0 HG21 ILE B 10 4.374 8.132 -1.062 1.00 0.00 H new ATOM 0 HG22 ILE B 10 5.005 7.137 -2.395 1.00 0.00 H new ATOM 0 HG23 ILE B 10 5.569 6.856 -0.731 1.00 0.00 H new ATOM 0 HD11 ILE B 10 5.848 10.568 1.185 1.00 0.00 H new ATOM 0 HD12 ILE B 10 5.102 10.787 -0.416 1.00 0.00 H new ATOM 0 HD13 ILE B 10 4.769 9.315 0.527 1.00 0.00 H new ATOM 1247 N GLU B 11 7.024 7.513 -4.509 1.00 0.00 N ATOM 1248 CA GLU B 11 6.751 6.702 -5.693 1.00 0.00 C ATOM 1249 C GLU B 11 7.890 5.742 -5.933 1.00 0.00 C ATOM 1250 O GLU B 11 7.684 4.534 -5.975 1.00 0.00 O ATOM 1251 CB GLU B 11 6.556 7.572 -6.939 1.00 0.00 C ATOM 1252 CG GLU B 11 5.342 8.462 -6.898 1.00 0.00 C ATOM 1253 CD GLU B 11 4.096 7.672 -6.693 1.00 0.00 C ATOM 1254 OE1 GLU B 11 3.657 6.973 -7.617 1.00 0.00 O ATOM 1255 OE2 GLU B 11 3.521 7.724 -5.595 1.00 0.00 O ATOM 0 H GLU B 11 6.947 8.518 -4.667 1.00 0.00 H new ATOM 0 HA GLU B 11 5.829 6.151 -5.510 1.00 0.00 H new ATOM 0 HB2 GLU B 11 7.441 8.193 -7.075 1.00 0.00 H new ATOM 0 HB3 GLU B 11 6.485 6.923 -7.812 1.00 0.00 H new ATOM 0 HG2 GLU B 11 5.450 9.190 -6.094 1.00 0.00 H new ATOM 0 HG3 GLU B 11 5.269 9.024 -7.829 1.00 0.00 H new ATOM 1262 N ASN B 12 9.087 6.292 -6.036 1.00 0.00 N ATOM 1263 CA ASN B 12 10.302 5.514 -6.235 1.00 0.00 C ATOM 1264 C ASN B 12 10.443 4.384 -5.215 1.00 0.00 C ATOM 1265 O ASN B 12 10.596 3.229 -5.597 1.00 0.00 O ATOM 1266 CB ASN B 12 11.559 6.421 -6.209 1.00 0.00 C ATOM 1267 CG ASN B 12 12.863 5.622 -6.141 1.00 0.00 C ATOM 1268 OD1 ASN B 12 13.412 5.203 -7.160 1.00 0.00 O ATOM 1269 ND2 ASN B 12 13.380 5.452 -4.952 1.00 0.00 N ATOM 0 H ASN B 12 9.247 7.298 -5.984 1.00 0.00 H new ATOM 0 HA ASN B 12 10.219 5.057 -7.221 1.00 0.00 H new ATOM 0 HB2 ASN B 12 11.568 7.048 -7.101 1.00 0.00 H new ATOM 0 HB3 ASN B 12 11.502 7.089 -5.350 1.00 0.00 H new ATOM 0 HD21 ASN B 12 14.266 4.958 -4.847 1.00 0.00 H new ATOM 0 HD22 ASN B 12 12.897 5.813 -4.129 1.00 0.00 H new ATOM 1276 N LYS B 13 10.321 4.716 -3.944 1.00 0.00 N ATOM 1277 CA LYS B 13 10.546 3.768 -2.861 1.00 0.00 C ATOM 1278 C LYS B 13 9.466 2.687 -2.837 1.00 0.00 C ATOM 1279 O LYS B 13 9.759 1.500 -2.696 1.00 0.00 O ATOM 1280 CB LYS B 13 10.585 4.507 -1.528 1.00 0.00 C ATOM 1281 CG LYS B 13 11.172 3.699 -0.381 1.00 0.00 C ATOM 1282 CD LYS B 13 12.615 3.318 -0.651 1.00 0.00 C ATOM 1283 CE LYS B 13 13.494 4.524 -0.906 1.00 0.00 C ATOM 1284 NZ LYS B 13 14.884 4.134 -1.175 1.00 0.00 N ATOM 0 H LYS B 13 10.063 5.651 -3.629 1.00 0.00 H new ATOM 0 HA LYS B 13 11.504 3.277 -3.029 1.00 0.00 H new ATOM 0 HB2 LYS B 13 11.168 5.420 -1.649 1.00 0.00 H new ATOM 0 HB3 LYS B 13 9.572 4.808 -1.263 1.00 0.00 H new ATOM 0 HG2 LYS B 13 11.114 4.278 0.541 1.00 0.00 H new ATOM 0 HG3 LYS B 13 10.579 2.797 -0.229 1.00 0.00 H new ATOM 0 HD2 LYS B 13 13.006 2.761 0.200 1.00 0.00 H new ATOM 0 HD3 LYS B 13 12.657 2.653 -1.514 1.00 0.00 H new ATOM 0 HE2 LYS B 13 13.103 5.087 -1.754 1.00 0.00 H new ATOM 0 HE3 LYS B 13 13.463 5.187 -0.041 1.00 0.00 H new ATOM 0 HZ1 LYS B 13 15.476 4.986 -1.244 1.00 0.00 H new ATOM 0 HZ2 LYS B 13 15.232 3.532 -0.401 1.00 0.00 H new ATOM 0 HZ3 LYS B 13 14.930 3.607 -2.070 1.00 0.00 H new ATOM 1298 N LYS B 14 8.236 3.121 -2.987 1.00 0.00 N ATOM 1299 CA LYS B 14 7.068 2.256 -3.057 1.00 0.00 C ATOM 1300 C LYS B 14 7.236 1.261 -4.200 1.00 0.00 C ATOM 1301 O LYS B 14 6.994 0.075 -4.049 1.00 0.00 O ATOM 1302 CB LYS B 14 5.836 3.149 -3.283 1.00 0.00 C ATOM 1303 CG LYS B 14 4.524 2.431 -3.615 1.00 0.00 C ATOM 1304 CD LYS B 14 3.461 3.428 -4.108 1.00 0.00 C ATOM 1305 CE LYS B 14 3.768 3.950 -5.506 1.00 0.00 C ATOM 1306 NZ LYS B 14 2.864 5.053 -5.912 1.00 0.00 N ATOM 0 H LYS B 14 8.008 4.112 -3.066 1.00 0.00 H new ATOM 0 HA LYS B 14 6.946 1.688 -2.135 1.00 0.00 H new ATOM 0 HB2 LYS B 14 5.680 3.748 -2.386 1.00 0.00 H new ATOM 0 HB3 LYS B 14 6.061 3.842 -4.094 1.00 0.00 H new ATOM 0 HG2 LYS B 14 4.702 1.675 -4.380 1.00 0.00 H new ATOM 0 HG3 LYS B 14 4.157 1.909 -2.731 1.00 0.00 H new ATOM 0 HD2 LYS B 14 2.484 2.945 -4.109 1.00 0.00 H new ATOM 0 HD3 LYS B 14 3.401 4.266 -3.414 1.00 0.00 H new ATOM 0 HE2 LYS B 14 4.800 4.299 -5.541 1.00 0.00 H new ATOM 0 HE3 LYS B 14 3.683 3.133 -6.222 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 3.146 5.406 -6.849 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 1.886 4.702 -5.955 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 2.925 5.825 -5.218 1.00 0.00 H new ATOM 1320 N LYS B 15 7.699 1.760 -5.319 1.00 0.00 N ATOM 1321 CA LYS B 15 7.915 0.956 -6.503 1.00 0.00 C ATOM 1322 C LYS B 15 9.118 0.043 -6.350 1.00 0.00 C ATOM 1323 O LYS B 15 9.103 -1.072 -6.859 1.00 0.00 O ATOM 1324 CB LYS B 15 7.969 1.831 -7.756 1.00 0.00 C ATOM 1325 CG LYS B 15 6.624 2.507 -8.047 1.00 0.00 C ATOM 1326 CD LYS B 15 6.670 3.594 -9.133 1.00 0.00 C ATOM 1327 CE LYS B 15 6.833 3.065 -10.569 1.00 0.00 C ATOM 1328 NZ LYS B 15 8.183 2.535 -10.878 1.00 0.00 N ATOM 0 H LYS B 15 7.940 2.744 -5.438 1.00 0.00 H new ATOM 0 HA LYS B 15 7.059 0.293 -6.628 1.00 0.00 H new ATOM 0 HB2 LYS B 15 8.738 2.594 -7.632 1.00 0.00 H new ATOM 0 HB3 LYS B 15 8.260 1.221 -8.611 1.00 0.00 H new ATOM 0 HG2 LYS B 15 5.907 1.743 -8.348 1.00 0.00 H new ATOM 0 HG3 LYS B 15 6.249 2.951 -7.125 1.00 0.00 H new ATOM 0 HD2 LYS B 15 5.753 4.181 -9.079 1.00 0.00 H new ATOM 0 HD3 LYS B 15 7.495 4.271 -8.914 1.00 0.00 H new ATOM 0 HE2 LYS B 15 6.099 2.277 -10.738 1.00 0.00 H new ATOM 0 HE3 LYS B 15 6.603 3.870 -11.268 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 8.436 2.779 -11.857 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 8.878 2.953 -10.227 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 8.184 1.501 -10.768 1.00 0.00 H new ATOM 1342 N GLU B 16 10.141 0.501 -5.610 1.00 0.00 N ATOM 1343 CA GLU B 16 11.286 -0.349 -5.274 1.00 0.00 C ATOM 1344 C GLU B 16 10.791 -1.554 -4.493 1.00 0.00 C ATOM 1345 O GLU B 16 11.222 -2.686 -4.716 1.00 0.00 O ATOM 1346 CB GLU B 16 12.335 0.381 -4.412 1.00 0.00 C ATOM 1347 CG GLU B 16 13.148 1.463 -5.088 1.00 0.00 C ATOM 1348 CD GLU B 16 14.230 1.967 -4.158 1.00 0.00 C ATOM 1349 OE1 GLU B 16 15.181 1.214 -3.895 1.00 0.00 O ATOM 1350 OE2 GLU B 16 14.127 3.079 -3.625 1.00 0.00 O ATOM 0 H GLU B 16 10.195 1.449 -5.237 1.00 0.00 H new ATOM 0 HA GLU B 16 11.760 -0.638 -6.212 1.00 0.00 H new ATOM 0 HB2 GLU B 16 11.822 0.826 -3.559 1.00 0.00 H new ATOM 0 HB3 GLU B 16 13.025 -0.364 -4.016 1.00 0.00 H new ATOM 0 HG2 GLU B 16 13.597 1.073 -6.001 1.00 0.00 H new ATOM 0 HG3 GLU B 16 12.497 2.287 -5.380 1.00 0.00 H new ATOM 1357 N LEU B 17 9.856 -1.294 -3.594 1.00 0.00 N ATOM 1358 CA LEU B 17 9.266 -2.320 -2.781 1.00 0.00 C ATOM 1359 C LEU B 17 8.433 -3.255 -3.626 1.00 0.00 C ATOM 1360 O LEU B 17 8.505 -4.460 -3.458 1.00 0.00 O ATOM 1361 CB LEU B 17 8.386 -1.729 -1.708 1.00 0.00 C ATOM 1362 CG LEU B 17 7.550 -2.745 -0.971 1.00 0.00 C ATOM 1363 CD1 LEU B 17 8.325 -3.513 0.029 1.00 0.00 C ATOM 1364 CD2 LEU B 17 6.287 -2.171 -0.450 1.00 0.00 C ATOM 0 H LEU B 17 9.490 -0.359 -3.414 1.00 0.00 H new ATOM 0 HA LEU B 17 10.083 -2.870 -2.314 1.00 0.00 H new ATOM 0 HB2 LEU B 17 9.012 -1.199 -0.990 1.00 0.00 H new ATOM 0 HB3 LEU B 17 7.725 -0.990 -2.161 1.00 0.00 H new ATOM 0 HG LEU B 17 7.241 -3.487 -1.708 1.00 0.00 H new ATOM 0 HD11 LEU B 17 7.670 -4.228 0.526 1.00 0.00 H new ATOM 0 HD12 LEU B 17 9.133 -4.048 -0.470 1.00 0.00 H new ATOM 0 HD13 LEU B 17 8.744 -2.830 0.768 1.00 0.00 H new ATOM 0 HD21 LEU B 17 5.724 -2.945 0.072 1.00 0.00 H new ATOM 0 HD22 LEU B 17 6.514 -1.359 0.241 1.00 0.00 H new ATOM 0 HD23 LEU B 17 5.693 -1.786 -1.279 1.00 0.00 H new ATOM 1376 N ILE B 18 7.636 -2.687 -4.515 1.00 0.00 N ATOM 1377 CA ILE B 18 6.785 -3.465 -5.413 1.00 0.00 C ATOM 1378 C ILE B 18 7.614 -4.466 -6.179 1.00 0.00 C ATOM 1379 O ILE B 18 7.255 -5.624 -6.269 1.00 0.00 O ATOM 1380 CB ILE B 18 5.981 -2.554 -6.386 1.00 0.00 C ATOM 1381 CG1 ILE B 18 4.995 -1.684 -5.590 1.00 0.00 C ATOM 1382 CG2 ILE B 18 5.240 -3.383 -7.463 1.00 0.00 C ATOM 1383 CD1 ILE B 18 4.382 -0.567 -6.385 1.00 0.00 C ATOM 0 H ILE B 18 7.557 -1.678 -4.638 1.00 0.00 H new ATOM 0 HA ILE B 18 6.059 -4.001 -4.801 1.00 0.00 H new ATOM 0 HB ILE B 18 6.686 -1.906 -6.908 1.00 0.00 H new ATOM 0 HG12 ILE B 18 4.198 -2.319 -5.202 1.00 0.00 H new ATOM 0 HG13 ILE B 18 5.513 -1.261 -4.729 1.00 0.00 H new ATOM 0 HG21 ILE B 18 4.690 -2.713 -8.123 1.00 0.00 H new ATOM 0 HG22 ILE B 18 5.964 -3.953 -8.045 1.00 0.00 H new ATOM 0 HG23 ILE B 18 4.544 -4.068 -6.979 1.00 0.00 H new ATOM 0 HD11 ILE B 18 3.699 -0.001 -5.751 1.00 0.00 H new ATOM 0 HD12 ILE B 18 5.168 0.093 -6.751 1.00 0.00 H new ATOM 0 HD13 ILE B 18 3.833 -0.981 -7.231 1.00 0.00 H new ATOM 1395 N GLN B 19 8.746 -4.024 -6.659 1.00 0.00 N ATOM 1396 CA GLN B 19 9.658 -4.884 -7.381 1.00 0.00 C ATOM 1397 C GLN B 19 10.245 -5.981 -6.465 1.00 0.00 C ATOM 1398 O GLN B 19 10.559 -7.091 -6.924 1.00 0.00 O ATOM 1399 CB GLN B 19 10.756 -4.065 -8.024 1.00 0.00 C ATOM 1400 CG GLN B 19 10.245 -3.004 -8.975 1.00 0.00 C ATOM 1401 CD GLN B 19 11.359 -2.251 -9.641 1.00 0.00 C ATOM 1402 OE1 GLN B 19 11.842 -1.237 -9.126 1.00 0.00 O ATOM 1403 NE2 GLN B 19 11.766 -2.713 -10.782 1.00 0.00 N ATOM 0 H GLN B 19 9.065 -3.060 -6.563 1.00 0.00 H new ATOM 0 HA GLN B 19 9.097 -5.387 -8.169 1.00 0.00 H new ATOM 0 HB2 GLN B 19 11.346 -3.586 -7.242 1.00 0.00 H new ATOM 0 HB3 GLN B 19 11.426 -4.733 -8.565 1.00 0.00 H new ATOM 0 HG2 GLN B 19 9.620 -3.472 -9.736 1.00 0.00 H new ATOM 0 HG3 GLN B 19 9.612 -2.304 -8.429 1.00 0.00 H new ATOM 0 HE21 GLN B 19 11.341 -3.554 -11.173 1.00 0.00 H new ATOM 0 HE22 GLN B 19 12.512 -2.236 -11.289 1.00 0.00 H new ATOM 1412 N LEU B 20 10.368 -5.685 -5.183 1.00 0.00 N ATOM 1413 CA LEU B 20 10.835 -6.660 -4.208 1.00 0.00 C ATOM 1414 C LEU B 20 9.748 -7.680 -3.901 1.00 0.00 C ATOM 1415 O LEU B 20 9.998 -8.883 -3.936 1.00 0.00 O ATOM 1416 CB LEU B 20 11.343 -6.002 -2.922 1.00 0.00 C ATOM 1417 CG LEU B 20 12.663 -5.240 -3.028 1.00 0.00 C ATOM 1418 CD1 LEU B 20 12.978 -4.566 -1.718 1.00 0.00 C ATOM 1419 CD2 LEU B 20 13.793 -6.186 -3.397 1.00 0.00 C ATOM 0 H LEU B 20 10.149 -4.770 -4.789 1.00 0.00 H new ATOM 0 HA LEU B 20 11.683 -7.178 -4.656 1.00 0.00 H new ATOM 0 HB2 LEU B 20 10.578 -5.313 -2.565 1.00 0.00 H new ATOM 0 HB3 LEU B 20 11.455 -6.776 -2.163 1.00 0.00 H new ATOM 0 HG LEU B 20 12.563 -4.485 -3.808 1.00 0.00 H new ATOM 0 HD11 LEU B 20 13.921 -4.026 -1.804 1.00 0.00 H new ATOM 0 HD12 LEU B 20 12.180 -3.866 -1.468 1.00 0.00 H new ATOM 0 HD13 LEU B 20 13.061 -5.318 -0.933 1.00 0.00 H new ATOM 0 HD21 LEU B 20 14.726 -5.628 -3.469 1.00 0.00 H new ATOM 0 HD22 LEU B 20 13.888 -6.955 -2.631 1.00 0.00 H new ATOM 0 HD23 LEU B 20 13.576 -6.655 -4.357 1.00 0.00 H new ATOM 1431 N VAL B 21 8.537 -7.202 -3.619 1.00 0.00 N ATOM 1432 CA VAL B 21 7.388 -8.079 -3.385 1.00 0.00 C ATOM 1433 C VAL B 21 7.106 -8.911 -4.654 1.00 0.00 C ATOM 1434 O VAL B 21 6.667 -10.052 -4.586 1.00 0.00 O ATOM 1435 CB VAL B 21 6.137 -7.241 -3.019 1.00 0.00 C ATOM 1436 CG1 VAL B 21 4.971 -8.118 -2.618 1.00 0.00 C ATOM 1437 CG2 VAL B 21 6.458 -6.273 -1.912 1.00 0.00 C ATOM 0 H VAL B 21 8.324 -6.207 -3.547 1.00 0.00 H new ATOM 0 HA VAL B 21 7.617 -8.747 -2.555 1.00 0.00 H new ATOM 0 HB VAL B 21 5.846 -6.685 -3.910 1.00 0.00 H new ATOM 0 HG11 VAL B 21 4.114 -7.492 -2.369 1.00 0.00 H new ATOM 0 HG12 VAL B 21 4.710 -8.778 -3.446 1.00 0.00 H new ATOM 0 HG13 VAL B 21 5.248 -8.717 -1.750 1.00 0.00 H new ATOM 0 HG21 VAL B 21 5.569 -5.692 -1.667 1.00 0.00 H new ATOM 0 HG22 VAL B 21 6.786 -6.824 -1.030 1.00 0.00 H new ATOM 0 HG23 VAL B 21 7.253 -5.601 -2.236 1.00 0.00 H new ATOM 1447 N ALA B 22 7.389 -8.327 -5.799 1.00 0.00 N ATOM 1448 CA ALA B 22 7.233 -8.995 -7.069 1.00 0.00 C ATOM 1449 C ALA B 22 8.237 -10.128 -7.216 1.00 0.00 C ATOM 1450 O ALA B 22 7.870 -11.249 -7.600 1.00 0.00 O ATOM 1451 CB ALA B 22 7.380 -8.010 -8.207 1.00 0.00 C ATOM 0 H ALA B 22 7.735 -7.370 -5.873 1.00 0.00 H new ATOM 0 HA ALA B 22 6.231 -9.423 -7.105 1.00 0.00 H new ATOM 0 HB1 ALA B 22 7.260 -8.531 -9.157 1.00 0.00 H new ATOM 0 HB2 ALA B 22 6.618 -7.236 -8.119 1.00 0.00 H new ATOM 0 HB3 ALA B 22 8.369 -7.553 -8.167 1.00 0.00 H new ATOM 1457 N ARG B 23 9.503 -9.873 -6.844 1.00 0.00 N ATOM 1458 CA ARG B 23 10.552 -10.883 -6.980 1.00 0.00 C ATOM 1459 C ARG B 23 10.457 -11.950 -5.889 1.00 0.00 C ATOM 1460 O ARG B 23 11.261 -12.870 -5.830 1.00 0.00 O ATOM 1461 CB ARG B 23 11.953 -10.267 -7.074 1.00 0.00 C ATOM 1462 CG ARG B 23 12.459 -9.593 -5.825 1.00 0.00 C ATOM 1463 CD ARG B 23 13.801 -8.925 -6.080 1.00 0.00 C ATOM 1464 NE ARG B 23 13.706 -7.813 -7.046 1.00 0.00 N ATOM 1465 CZ ARG B 23 14.412 -7.703 -8.192 1.00 0.00 C ATOM 1466 NH1 ARG B 23 15.208 -8.690 -8.594 1.00 0.00 N ATOM 1467 NH2 ARG B 23 14.316 -6.604 -8.922 1.00 0.00 N ATOM 0 H ARG B 23 9.817 -8.985 -6.452 1.00 0.00 H new ATOM 0 HA ARG B 23 10.381 -11.387 -7.931 1.00 0.00 H new ATOM 0 HB2 ARG B 23 12.657 -11.052 -7.351 1.00 0.00 H new ATOM 0 HB3 ARG B 23 11.955 -9.537 -7.884 1.00 0.00 H new ATOM 0 HG2 ARG B 23 11.736 -8.850 -5.488 1.00 0.00 H new ATOM 0 HG3 ARG B 23 12.559 -10.327 -5.025 1.00 0.00 H new ATOM 0 HD2 ARG B 23 14.201 -8.550 -5.138 1.00 0.00 H new ATOM 0 HD3 ARG B 23 14.507 -9.667 -6.453 1.00 0.00 H new ATOM 0 HE ARG B 23 13.050 -7.062 -6.829 1.00 0.00 H new ATOM 0 HH11 ARG B 23 15.289 -9.539 -8.035 1.00 0.00 H new ATOM 0 HH12 ARG B 23 15.737 -8.597 -9.461 1.00 0.00 H new ATOM 0 HH21 ARG B 23 13.710 -5.842 -8.619 1.00 0.00 H new ATOM 0 HH22 ARG B 23 14.848 -6.519 -9.788 1.00 0.00 H new ATOM 1481 N HIS B 24 9.465 -11.798 -5.024 1.00 0.00 N ATOM 1482 CA HIS B 24 9.089 -12.827 -4.067 1.00 0.00 C ATOM 1483 C HIS B 24 8.501 -14.013 -4.848 1.00 0.00 C ATOM 1484 O HIS B 24 8.577 -15.163 -4.428 1.00 0.00 O ATOM 1485 CB HIS B 24 8.050 -12.254 -3.058 1.00 0.00 C ATOM 1486 CG HIS B 24 7.346 -13.279 -2.198 1.00 0.00 C ATOM 1487 ND1 HIS B 24 6.062 -13.732 -2.438 1.00 0.00 N ATOM 1488 CD2 HIS B 24 7.772 -13.944 -1.105 1.00 0.00 C ATOM 1489 CE1 HIS B 24 5.763 -14.638 -1.507 1.00 0.00 C ATOM 1490 NE2 HIS B 24 6.770 -14.806 -0.670 1.00 0.00 N ATOM 0 H HIS B 24 8.896 -10.953 -4.966 1.00 0.00 H new ATOM 0 HA HIS B 24 9.957 -13.160 -3.498 1.00 0.00 H new ATOM 0 HB2 HIS B 24 8.557 -11.544 -2.405 1.00 0.00 H new ATOM 0 HB3 HIS B 24 7.298 -11.695 -3.615 1.00 0.00 H new ATOM 0 HD2 HIS B 24 8.740 -13.826 -0.640 1.00 0.00 H new ATOM 0 HE1 HIS B 24 4.822 -15.165 -1.446 1.00 0.00 H new ATOM 0 HE2 HIS B 24 6.806 -15.437 0.130 1.00 0.00 H new ATOM 1498 N GLY B 25 7.940 -13.704 -5.995 1.00 0.00 N ATOM 1499 CA GLY B 25 7.369 -14.712 -6.829 1.00 0.00 C ATOM 1500 C GLY B 25 5.956 -14.391 -7.218 1.00 0.00 C ATOM 1501 O GLY B 25 5.139 -15.296 -7.382 1.00 0.00 O ATOM 0 H GLY B 25 7.872 -12.756 -6.364 1.00 0.00 H new ATOM 0 HA2 GLY B 25 7.975 -14.824 -7.728 1.00 0.00 H new ATOM 0 HA3 GLY B 25 7.392 -15.669 -6.308 1.00 0.00 H new ATOM 1505 N LEU B 26 5.647 -13.109 -7.362 1.00 0.00 N ATOM 1506 CA LEU B 26 4.318 -12.731 -7.774 1.00 0.00 C ATOM 1507 C LEU B 26 4.110 -12.958 -9.230 1.00 0.00 C ATOM 1508 O LEU B 26 5.047 -12.873 -10.040 1.00 0.00 O ATOM 1509 CB LEU B 26 3.955 -11.272 -7.455 1.00 0.00 C ATOM 1510 CG LEU B 26 3.667 -10.925 -6.013 1.00 0.00 C ATOM 1511 CD1 LEU B 26 3.184 -9.492 -5.862 1.00 0.00 C ATOM 1512 CD2 LEU B 26 2.719 -11.915 -5.363 1.00 0.00 C ATOM 0 H LEU B 26 6.290 -12.333 -7.202 1.00 0.00 H new ATOM 0 HA LEU B 26 3.661 -13.375 -7.190 1.00 0.00 H new ATOM 0 HB2 LEU B 26 4.774 -10.639 -7.796 1.00 0.00 H new ATOM 0 HB3 LEU B 26 3.079 -11.006 -8.047 1.00 0.00 H new ATOM 0 HG LEU B 26 4.613 -11.001 -5.477 1.00 0.00 H new ATOM 0 HD11 LEU B 26 2.988 -9.283 -4.810 1.00 0.00 H new ATOM 0 HD12 LEU B 26 3.949 -8.809 -6.231 1.00 0.00 H new ATOM 0 HD13 LEU B 26 2.268 -9.355 -6.436 1.00 0.00 H new ATOM 0 HD21 LEU B 26 2.542 -11.624 -4.328 1.00 0.00 H new ATOM 0 HD22 LEU B 26 1.773 -11.922 -5.904 1.00 0.00 H new ATOM 0 HD23 LEU B 26 3.160 -12.912 -5.389 1.00 0.00 H new ATOM 1524 N ASP B 27 2.895 -13.274 -9.548 1.00 0.00 N ATOM 1525 CA ASP B 27 2.454 -13.353 -10.912 1.00 0.00 C ATOM 1526 C ASP B 27 2.380 -11.947 -11.448 1.00 0.00 C ATOM 1527 O ASP B 27 2.294 -10.991 -10.663 1.00 0.00 O ATOM 1528 CB ASP B 27 1.070 -14.001 -11.011 1.00 0.00 C ATOM 1529 CG ASP B 27 1.065 -15.497 -10.852 1.00 0.00 C ATOM 1530 OD1 ASP B 27 1.153 -15.999 -9.708 1.00 0.00 O ATOM 1531 OD2 ASP B 27 0.942 -16.209 -11.876 1.00 0.00 O ATOM 0 H ASP B 27 2.170 -13.488 -8.863 1.00 0.00 H new ATOM 0 HA ASP B 27 3.152 -13.964 -11.484 1.00 0.00 H new ATOM 0 HB2 ASP B 27 0.424 -13.566 -10.248 1.00 0.00 H new ATOM 0 HB3 ASP B 27 0.634 -13.750 -11.978 1.00 0.00 H new ATOM 1536 N HIS B 28 2.384 -11.814 -12.748 1.00 0.00 N ATOM 1537 CA HIS B 28 2.356 -10.519 -13.413 1.00 0.00 C ATOM 1538 C HIS B 28 1.141 -9.719 -12.923 1.00 0.00 C ATOM 1539 O HIS B 28 1.255 -8.546 -12.566 1.00 0.00 O ATOM 1540 CB HIS B 28 2.272 -10.739 -14.925 1.00 0.00 C ATOM 1541 CG HIS B 28 2.719 -9.584 -15.764 1.00 0.00 C ATOM 1542 ND1 HIS B 28 3.627 -9.710 -16.787 1.00 0.00 N ATOM 1543 CD2 HIS B 28 2.343 -8.285 -15.757 1.00 0.00 C ATOM 1544 CE1 HIS B 28 3.778 -8.528 -17.359 1.00 0.00 C ATOM 1545 NE2 HIS B 28 3.015 -7.614 -16.772 1.00 0.00 N ATOM 0 H HIS B 28 2.407 -12.606 -13.391 1.00 0.00 H new ATOM 0 HA HIS B 28 3.262 -9.958 -13.181 1.00 0.00 H new ATOM 0 HB2 HIS B 28 2.875 -11.609 -15.183 1.00 0.00 H new ATOM 0 HB3 HIS B 28 1.241 -10.978 -15.184 1.00 0.00 H new ATOM 0 HD2 HIS B 28 1.635 -7.841 -15.073 1.00 0.00 H new ATOM 0 HE1 HIS B 28 4.435 -8.332 -18.193 1.00 0.00 H new ATOM 0 HE2 HIS B 28 2.938 -6.626 -17.015 1.00 0.00 H new ATOM 1553 N ASP B 29 0.001 -10.405 -12.833 1.00 0.00 N ATOM 1554 CA ASP B 29 -1.253 -9.808 -12.375 1.00 0.00 C ATOM 1555 C ASP B 29 -1.156 -9.351 -10.934 1.00 0.00 C ATOM 1556 O ASP B 29 -1.722 -8.326 -10.569 1.00 0.00 O ATOM 1557 CB ASP B 29 -2.441 -10.775 -12.532 1.00 0.00 C ATOM 1558 CG ASP B 29 -2.302 -12.063 -11.736 1.00 0.00 C ATOM 1559 OD1 ASP B 29 -1.743 -13.033 -12.274 1.00 0.00 O ATOM 1560 OD2 ASP B 29 -2.749 -12.118 -10.569 1.00 0.00 O ATOM 0 H ASP B 29 -0.078 -11.392 -13.076 1.00 0.00 H new ATOM 0 HA ASP B 29 -1.430 -8.939 -13.009 1.00 0.00 H new ATOM 0 HB2 ASP B 29 -3.354 -10.266 -12.222 1.00 0.00 H new ATOM 0 HB3 ASP B 29 -2.557 -11.023 -13.587 1.00 0.00 H new ATOM 1565 N LYS B 30 -0.421 -10.096 -10.139 1.00 0.00 N ATOM 1566 CA LYS B 30 -0.231 -9.780 -8.732 1.00 0.00 C ATOM 1567 C LYS B 30 0.517 -8.491 -8.551 1.00 0.00 C ATOM 1568 O LYS B 30 0.116 -7.668 -7.755 1.00 0.00 O ATOM 1569 CB LYS B 30 0.449 -10.932 -7.977 1.00 0.00 C ATOM 1570 CG LYS B 30 -0.421 -12.173 -7.832 1.00 0.00 C ATOM 1571 CD LYS B 30 -1.741 -11.860 -7.142 1.00 0.00 C ATOM 1572 CE LYS B 30 -2.627 -13.084 -7.042 1.00 0.00 C ATOM 1573 NZ LYS B 30 -2.867 -13.703 -8.366 1.00 0.00 N ATOM 0 H LYS B 30 0.064 -10.939 -10.445 1.00 0.00 H new ATOM 0 HA LYS B 30 -1.222 -9.647 -8.298 1.00 0.00 H new ATOM 0 HB2 LYS B 30 1.367 -11.203 -8.498 1.00 0.00 H new ATOM 0 HB3 LYS B 30 0.736 -10.584 -6.985 1.00 0.00 H new ATOM 0 HG2 LYS B 30 -0.617 -12.597 -8.817 1.00 0.00 H new ATOM 0 HG3 LYS B 30 0.117 -12.930 -7.261 1.00 0.00 H new ATOM 0 HD2 LYS B 30 -1.546 -11.470 -6.143 1.00 0.00 H new ATOM 0 HD3 LYS B 30 -2.263 -11.078 -7.693 1.00 0.00 H new ATOM 0 HE2 LYS B 30 -2.163 -13.814 -6.379 1.00 0.00 H new ATOM 0 HE3 LYS B 30 -3.581 -12.806 -6.593 1.00 0.00 H new ATOM 0 HZ1 LYS B 30 -3.858 -14.013 -8.430 1.00 0.00 H new ATOM 0 HZ2 LYS B 30 -2.673 -13.008 -9.115 1.00 0.00 H new ATOM 0 HZ3 LYS B 30 -2.239 -14.523 -8.485 1.00 0.00 H new ATOM 1587 N VAL B 31 1.576 -8.308 -9.314 1.00 0.00 N ATOM 1588 CA VAL B 31 2.362 -7.089 -9.261 1.00 0.00 C ATOM 1589 C VAL B 31 1.476 -5.899 -9.636 1.00 0.00 C ATOM 1590 O VAL B 31 1.471 -4.883 -8.947 1.00 0.00 O ATOM 1591 CB VAL B 31 3.569 -7.161 -10.223 1.00 0.00 C ATOM 1592 CG1 VAL B 31 4.506 -5.977 -10.021 1.00 0.00 C ATOM 1593 CG2 VAL B 31 4.304 -8.481 -10.061 1.00 0.00 C ATOM 0 H VAL B 31 1.916 -8.996 -9.986 1.00 0.00 H new ATOM 0 HA VAL B 31 2.743 -6.967 -8.247 1.00 0.00 H new ATOM 0 HB VAL B 31 3.192 -7.108 -11.245 1.00 0.00 H new ATOM 0 HG11 VAL B 31 5.346 -6.055 -10.712 1.00 0.00 H new ATOM 0 HG12 VAL B 31 3.966 -5.049 -10.210 1.00 0.00 H new ATOM 0 HG13 VAL B 31 4.878 -5.978 -8.996 1.00 0.00 H new ATOM 0 HG21 VAL B 31 5.151 -8.513 -10.747 1.00 0.00 H new ATOM 0 HG22 VAL B 31 4.664 -8.574 -9.036 1.00 0.00 H new ATOM 0 HG23 VAL B 31 3.626 -9.305 -10.284 1.00 0.00 H new ATOM 1603 N LEU B 32 0.694 -6.073 -10.700 1.00 0.00 N ATOM 1604 CA LEU B 32 -0.246 -5.056 -11.177 1.00 0.00 C ATOM 1605 C LEU B 32 -1.239 -4.690 -10.094 1.00 0.00 C ATOM 1606 O LEU B 32 -1.339 -3.521 -9.704 1.00 0.00 O ATOM 1607 CB LEU B 32 -0.979 -5.565 -12.416 1.00 0.00 C ATOM 1608 CG LEU B 32 -0.091 -5.966 -13.596 1.00 0.00 C ATOM 1609 CD1 LEU B 32 -0.926 -6.500 -14.722 1.00 0.00 C ATOM 1610 CD2 LEU B 32 0.750 -4.797 -14.072 1.00 0.00 C ATOM 0 H LEU B 32 0.693 -6.926 -11.259 1.00 0.00 H new ATOM 0 HA LEU B 32 0.317 -4.160 -11.439 1.00 0.00 H new ATOM 0 HB2 LEU B 32 -1.582 -6.427 -12.130 1.00 0.00 H new ATOM 0 HB3 LEU B 32 -1.669 -4.790 -12.751 1.00 0.00 H new ATOM 0 HG LEU B 32 0.584 -6.751 -13.256 1.00 0.00 H new ATOM 0 HD11 LEU B 32 -0.279 -6.781 -15.553 1.00 0.00 H new ATOM 0 HD12 LEU B 32 -1.479 -7.375 -14.381 1.00 0.00 H new ATOM 0 HD13 LEU B 32 -1.627 -5.733 -15.051 1.00 0.00 H new ATOM 0 HD21 LEU B 32 1.370 -5.113 -14.911 1.00 0.00 H new ATOM 0 HD22 LEU B 32 0.097 -3.984 -14.389 1.00 0.00 H new ATOM 0 HD23 LEU B 32 1.388 -4.453 -13.258 1.00 0.00 H new ATOM 1622 N LEU B 33 -1.922 -5.686 -9.568 1.00 0.00 N ATOM 1623 CA LEU B 33 -2.916 -5.481 -8.529 1.00 0.00 C ATOM 1624 C LEU B 33 -2.285 -4.872 -7.279 1.00 0.00 C ATOM 1625 O LEU B 33 -2.839 -3.942 -6.699 1.00 0.00 O ATOM 1626 CB LEU B 33 -3.630 -6.796 -8.200 1.00 0.00 C ATOM 1627 CG LEU B 33 -4.469 -7.411 -9.327 1.00 0.00 C ATOM 1628 CD1 LEU B 33 -4.986 -8.778 -8.918 1.00 0.00 C ATOM 1629 CD2 LEU B 33 -5.629 -6.496 -9.702 1.00 0.00 C ATOM 0 H LEU B 33 -1.805 -6.660 -9.847 1.00 0.00 H new ATOM 0 HA LEU B 33 -3.658 -4.775 -8.903 1.00 0.00 H new ATOM 0 HB2 LEU B 33 -2.880 -7.526 -7.894 1.00 0.00 H new ATOM 0 HB3 LEU B 33 -4.280 -6.627 -7.342 1.00 0.00 H new ATOM 0 HG LEU B 33 -3.829 -7.527 -10.202 1.00 0.00 H new ATOM 0 HD11 LEU B 33 -5.579 -9.200 -9.729 1.00 0.00 H new ATOM 0 HD12 LEU B 33 -4.144 -9.436 -8.704 1.00 0.00 H new ATOM 0 HD13 LEU B 33 -5.607 -8.681 -8.027 1.00 0.00 H new ATOM 0 HD21 LEU B 33 -6.209 -6.954 -10.503 1.00 0.00 H new ATOM 0 HD22 LEU B 33 -6.268 -6.344 -8.832 1.00 0.00 H new ATOM 0 HD23 LEU B 33 -5.240 -5.535 -10.039 1.00 0.00 H new ATOM 1641 N PHE B 34 -1.109 -5.369 -6.907 1.00 0.00 N ATOM 1642 CA PHE B 34 -0.377 -4.876 -5.747 1.00 0.00 C ATOM 1643 C PHE B 34 -0.025 -3.409 -5.923 1.00 0.00 C ATOM 1644 O PHE B 34 -0.323 -2.602 -5.058 1.00 0.00 O ATOM 1645 CB PHE B 34 0.889 -5.726 -5.502 1.00 0.00 C ATOM 1646 CG PHE B 34 1.745 -5.295 -4.336 1.00 0.00 C ATOM 1647 CD1 PHE B 34 1.348 -5.529 -3.036 1.00 0.00 C ATOM 1648 CD2 PHE B 34 2.949 -4.662 -4.545 1.00 0.00 C ATOM 1649 CE1 PHE B 34 2.136 -5.138 -1.975 1.00 0.00 C ATOM 1650 CE2 PHE B 34 3.736 -4.275 -3.482 1.00 0.00 C ATOM 1651 CZ PHE B 34 3.329 -4.516 -2.201 1.00 0.00 C ATOM 0 H PHE B 34 -0.637 -6.126 -7.402 1.00 0.00 H new ATOM 0 HA PHE B 34 -1.017 -4.966 -4.869 1.00 0.00 H new ATOM 0 HB2 PHE B 34 0.586 -6.761 -5.345 1.00 0.00 H new ATOM 0 HB3 PHE B 34 1.499 -5.706 -6.405 1.00 0.00 H new ATOM 0 HD1 PHE B 34 0.407 -6.025 -2.847 1.00 0.00 H new ATOM 0 HD2 PHE B 34 3.281 -4.466 -5.554 1.00 0.00 H new ATOM 0 HE1 PHE B 34 1.808 -5.324 -0.963 1.00 0.00 H new ATOM 0 HE2 PHE B 34 4.678 -3.779 -3.663 1.00 0.00 H new ATOM 0 HZ PHE B 34 3.949 -4.215 -1.370 1.00 0.00 H new ATOM 1661 N SER B 35 0.554 -3.061 -7.069 1.00 0.00 N ATOM 1662 CA SER B 35 0.951 -1.691 -7.337 1.00 0.00 C ATOM 1663 C SER B 35 -0.240 -0.725 -7.299 1.00 0.00 C ATOM 1664 O SER B 35 -0.107 0.418 -6.876 1.00 0.00 O ATOM 1665 CB SER B 35 1.742 -1.595 -8.659 1.00 0.00 C ATOM 1666 OG SER B 35 1.046 -2.177 -9.758 1.00 0.00 O ATOM 0 H SER B 35 0.757 -3.714 -7.826 1.00 0.00 H new ATOM 0 HA SER B 35 1.618 -1.378 -6.534 1.00 0.00 H new ATOM 0 HB2 SER B 35 1.949 -0.548 -8.879 1.00 0.00 H new ATOM 0 HB3 SER B 35 2.705 -2.092 -8.539 1.00 0.00 H new ATOM 0 HG SER B 35 0.182 -2.523 -9.452 1.00 0.00 H new ATOM 1672 N ARG B 36 -1.397 -1.212 -7.695 1.00 0.00 N ATOM 1673 CA ARG B 36 -2.622 -0.426 -7.694 1.00 0.00 C ATOM 1674 C ARG B 36 -3.148 -0.256 -6.278 1.00 0.00 C ATOM 1675 O ARG B 36 -3.403 0.862 -5.823 1.00 0.00 O ATOM 1676 CB ARG B 36 -3.679 -1.148 -8.490 1.00 0.00 C ATOM 1677 CG ARG B 36 -3.432 -1.248 -9.966 1.00 0.00 C ATOM 1678 CD ARG B 36 -4.445 -2.186 -10.594 1.00 0.00 C ATOM 1679 NE ARG B 36 -4.445 -2.139 -12.053 1.00 0.00 N ATOM 1680 CZ ARG B 36 -5.263 -2.849 -12.842 1.00 0.00 C ATOM 1681 NH1 ARG B 36 -6.125 -3.727 -12.310 1.00 0.00 N ATOM 1682 NH2 ARG B 36 -5.243 -2.663 -14.149 1.00 0.00 N ATOM 0 H ARG B 36 -1.519 -2.168 -8.029 1.00 0.00 H new ATOM 0 HA ARG B 36 -2.401 0.550 -8.127 1.00 0.00 H new ATOM 0 HB2 ARG B 36 -3.783 -2.156 -8.089 1.00 0.00 H new ATOM 0 HB3 ARG B 36 -4.632 -0.643 -8.334 1.00 0.00 H new ATOM 0 HG2 ARG B 36 -3.504 -0.261 -10.424 1.00 0.00 H new ATOM 0 HG3 ARG B 36 -2.422 -1.613 -10.151 1.00 0.00 H new ATOM 0 HD2 ARG B 36 -4.236 -3.206 -10.270 1.00 0.00 H new ATOM 0 HD3 ARG B 36 -5.440 -1.933 -10.229 1.00 0.00 H new ATOM 0 HE ARG B 36 -3.772 -1.520 -12.505 1.00 0.00 H new ATOM 0 HH11 ARG B 36 -6.161 -3.858 -11.299 1.00 0.00 H new ATOM 0 HH12 ARG B 36 -6.745 -4.264 -12.916 1.00 0.00 H new ATOM 0 HH21 ARG B 36 -4.605 -1.979 -14.557 1.00 0.00 H new ATOM 0 HH22 ARG B 36 -5.865 -3.203 -14.751 1.00 0.00 H new ATOM 1696 N ASP B 37 -3.283 -1.383 -5.588 1.00 0.00 N ATOM 1697 CA ASP B 37 -3.874 -1.450 -4.247 1.00 0.00 C ATOM 1698 C ASP B 37 -3.037 -0.642 -3.291 1.00 0.00 C ATOM 1699 O ASP B 37 -3.553 0.101 -2.454 1.00 0.00 O ATOM 1700 CB ASP B 37 -3.918 -2.912 -3.791 1.00 0.00 C ATOM 1701 CG ASP B 37 -4.895 -3.184 -2.658 1.00 0.00 C ATOM 1702 OD1 ASP B 37 -6.123 -3.183 -2.914 1.00 0.00 O ATOM 1703 OD2 ASP B 37 -4.476 -3.473 -1.519 1.00 0.00 O ATOM 0 H ASP B 37 -2.983 -2.290 -5.945 1.00 0.00 H new ATOM 0 HA ASP B 37 -4.886 -1.045 -4.267 1.00 0.00 H new ATOM 0 HB2 ASP B 37 -4.184 -3.538 -4.643 1.00 0.00 H new ATOM 0 HB3 ASP B 37 -2.919 -3.212 -3.474 1.00 0.00 H new ATOM 1708 N LEU B 38 -1.742 -0.761 -3.464 1.00 0.00 N ATOM 1709 CA LEU B 38 -0.769 -0.063 -2.671 1.00 0.00 C ATOM 1710 C LEU B 38 -0.737 1.416 -3.002 1.00 0.00 C ATOM 1711 O LEU B 38 -0.597 2.249 -2.106 1.00 0.00 O ATOM 1712 CB LEU B 38 0.598 -0.726 -2.854 1.00 0.00 C ATOM 1713 CG LEU B 38 1.817 -0.055 -2.232 1.00 0.00 C ATOM 1714 CD1 LEU B 38 1.571 0.291 -0.790 1.00 0.00 C ATOM 1715 CD2 LEU B 38 2.979 -0.996 -2.318 1.00 0.00 C ATOM 0 H LEU B 38 -1.330 -1.361 -4.178 1.00 0.00 H new ATOM 0 HA LEU B 38 -1.049 -0.130 -1.620 1.00 0.00 H new ATOM 0 HB2 LEU B 38 0.534 -1.737 -2.451 1.00 0.00 H new ATOM 0 HB3 LEU B 38 0.781 -0.820 -3.924 1.00 0.00 H new ATOM 0 HG LEU B 38 2.023 0.867 -2.775 1.00 0.00 H new ATOM 0 HD11 LEU B 38 2.458 0.768 -0.374 1.00 0.00 H new ATOM 0 HD12 LEU B 38 0.725 0.974 -0.719 1.00 0.00 H new ATOM 0 HD13 LEU B 38 1.352 -0.618 -0.230 1.00 0.00 H new ATOM 0 HD21 LEU B 38 3.859 -0.529 -1.876 1.00 0.00 H new ATOM 0 HD22 LEU B 38 2.745 -1.913 -1.777 1.00 0.00 H new ATOM 0 HD23 LEU B 38 3.179 -1.232 -3.363 1.00 0.00 H new ATOM 1727 N ASP B 39 -0.895 1.748 -4.267 1.00 0.00 N ATOM 1728 CA ASP B 39 -0.898 3.148 -4.672 1.00 0.00 C ATOM 1729 C ASP B 39 -2.068 3.848 -4.022 1.00 0.00 C ATOM 1730 O ASP B 39 -1.919 4.913 -3.437 1.00 0.00 O ATOM 1731 CB ASP B 39 -0.960 3.300 -6.195 1.00 0.00 C ATOM 1732 CG ASP B 39 -0.805 4.743 -6.631 1.00 0.00 C ATOM 1733 OD1 ASP B 39 0.323 5.276 -6.526 1.00 0.00 O ATOM 1734 OD2 ASP B 39 -1.781 5.374 -7.079 1.00 0.00 O ATOM 0 H ASP B 39 -1.022 1.080 -5.028 1.00 0.00 H new ATOM 0 HA ASP B 39 0.036 3.605 -4.344 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -0.174 2.698 -6.651 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -1.911 2.912 -6.559 1.00 0.00 H new ATOM 1739 N LYS B 40 -3.213 3.187 -4.051 1.00 0.00 N ATOM 1740 CA LYS B 40 -4.420 3.698 -3.433 1.00 0.00 C ATOM 1741 C LYS B 40 -4.299 3.758 -1.925 1.00 0.00 C ATOM 1742 O LYS B 40 -4.767 4.707 -1.306 1.00 0.00 O ATOM 1743 CB LYS B 40 -5.624 2.867 -3.812 1.00 0.00 C ATOM 1744 CG LYS B 40 -5.944 2.918 -5.271 1.00 0.00 C ATOM 1745 CD LYS B 40 -7.224 2.196 -5.578 1.00 0.00 C ATOM 1746 CE LYS B 40 -7.578 2.350 -7.037 1.00 0.00 C ATOM 1747 NZ LYS B 40 -7.646 3.774 -7.450 1.00 0.00 N ATOM 0 H LYS B 40 -3.330 2.281 -4.504 1.00 0.00 H new ATOM 0 HA LYS B 40 -4.557 4.712 -3.808 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -5.447 1.831 -3.522 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -6.488 3.213 -3.246 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -6.025 3.957 -5.591 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -5.128 2.472 -5.840 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -7.121 1.139 -5.332 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -8.029 2.591 -4.958 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -6.837 1.832 -7.646 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -8.538 1.872 -7.229 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -8.204 3.856 -8.324 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -8.097 4.332 -6.698 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -6.685 4.133 -7.618 1.00 0.00 H new ATOM 1761 N LEU B 41 -3.668 2.748 -1.340 1.00 0.00 N ATOM 1762 CA LEU B 41 -3.454 2.686 0.091 1.00 0.00 C ATOM 1763 C LEU B 41 -2.635 3.902 0.521 1.00 0.00 C ATOM 1764 O LEU B 41 -2.945 4.560 1.508 1.00 0.00 O ATOM 1765 CB LEU B 41 -2.753 1.341 0.432 1.00 0.00 C ATOM 1766 CG LEU B 41 -2.587 0.928 1.915 1.00 0.00 C ATOM 1767 CD1 LEU B 41 -1.527 1.697 2.617 1.00 0.00 C ATOM 1768 CD2 LEU B 41 -3.889 1.037 2.660 1.00 0.00 C ATOM 0 H LEU B 41 -3.291 1.949 -1.850 1.00 0.00 H new ATOM 0 HA LEU B 41 -4.396 2.716 0.638 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -3.306 0.547 -0.069 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -1.759 1.367 -0.014 1.00 0.00 H new ATOM 0 HG LEU B 41 -2.271 -0.115 1.903 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -1.459 1.362 3.652 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -0.571 1.536 2.120 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -1.773 2.759 2.595 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -3.740 0.740 3.698 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -4.244 2.067 2.624 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -4.628 0.383 2.198 1.00 0.00 H new ATOM 1780 N ILE B 42 -1.634 4.221 -0.257 1.00 0.00 N ATOM 1781 CA ILE B 42 -0.804 5.363 0.015 1.00 0.00 C ATOM 1782 C ILE B 42 -1.547 6.664 -0.260 1.00 0.00 C ATOM 1783 O ILE B 42 -1.517 7.553 0.561 1.00 0.00 O ATOM 1784 CB ILE B 42 0.552 5.287 -0.727 1.00 0.00 C ATOM 1785 CG1 ILE B 42 1.327 4.093 -0.183 1.00 0.00 C ATOM 1786 CG2 ILE B 42 1.363 6.575 -0.558 1.00 0.00 C ATOM 1787 CD1 ILE B 42 2.656 3.860 -0.821 1.00 0.00 C ATOM 0 H ILE B 42 -1.373 3.699 -1.093 1.00 0.00 H new ATOM 0 HA ILE B 42 -0.567 5.350 1.079 1.00 0.00 H new ATOM 0 HB ILE B 42 0.369 5.167 -1.795 1.00 0.00 H new ATOM 0 HG12 ILE B 42 1.474 4.232 0.888 1.00 0.00 H new ATOM 0 HG13 ILE B 42 0.719 3.197 -0.307 1.00 0.00 H new ATOM 0 HG21 ILE B 42 2.308 6.483 -1.093 1.00 0.00 H new ATOM 0 HG22 ILE B 42 0.798 7.416 -0.961 1.00 0.00 H new ATOM 0 HG23 ILE B 42 1.560 6.744 0.500 1.00 0.00 H new ATOM 0 HD11 ILE B 42 3.130 2.990 -0.367 1.00 0.00 H new ATOM 0 HD12 ILE B 42 2.521 3.684 -1.888 1.00 0.00 H new ATOM 0 HD13 ILE B 42 3.289 4.735 -0.674 1.00 0.00 H new ATOM 1799 N ASN B 43 -2.263 6.743 -1.383 1.00 0.00 N ATOM 1800 CA ASN B 43 -3.065 7.950 -1.739 1.00 0.00 C ATOM 1801 C ASN B 43 -4.077 8.276 -0.655 1.00 0.00 C ATOM 1802 O ASN B 43 -4.384 9.449 -0.396 1.00 0.00 O ATOM 1803 CB ASN B 43 -3.801 7.778 -3.080 1.00 0.00 C ATOM 1804 CG ASN B 43 -2.874 7.736 -4.277 1.00 0.00 C ATOM 1805 OD1 ASN B 43 -1.818 8.366 -4.285 1.00 0.00 O ATOM 1806 ND2 ASN B 43 -3.266 7.014 -5.297 1.00 0.00 N ATOM 0 H ASN B 43 -2.314 5.993 -2.072 1.00 0.00 H new ATOM 0 HA ASN B 43 -2.357 8.773 -1.834 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -4.384 6.858 -3.050 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -4.507 8.599 -3.206 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -2.688 6.960 -6.136 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -4.149 6.505 -5.252 1.00 0.00 H new ATOM 1813 N LYS B 44 -4.575 7.230 -0.029 1.00 0.00 N ATOM 1814 CA LYS B 44 -5.510 7.309 1.069 1.00 0.00 C ATOM 1815 C LYS B 44 -4.854 8.025 2.257 1.00 0.00 C ATOM 1816 O LYS B 44 -5.408 8.959 2.811 1.00 0.00 O ATOM 1817 CB LYS B 44 -5.899 5.886 1.463 1.00 0.00 C ATOM 1818 CG LYS B 44 -7.009 5.761 2.483 1.00 0.00 C ATOM 1819 CD LYS B 44 -7.203 4.313 2.904 1.00 0.00 C ATOM 1820 CE LYS B 44 -7.541 3.394 1.721 1.00 0.00 C ATOM 1821 NZ LYS B 44 -8.746 3.823 0.971 1.00 0.00 N ATOM 0 H LYS B 44 -4.331 6.272 -0.280 1.00 0.00 H new ATOM 0 HA LYS B 44 -6.396 7.871 0.775 1.00 0.00 H new ATOM 0 HB2 LYS B 44 -6.198 5.350 0.562 1.00 0.00 H new ATOM 0 HB3 LYS B 44 -5.014 5.384 1.854 1.00 0.00 H new ATOM 0 HG2 LYS B 44 -6.775 6.369 3.357 1.00 0.00 H new ATOM 0 HG3 LYS B 44 -7.938 6.149 2.064 1.00 0.00 H new ATOM 0 HD2 LYS B 44 -6.295 3.955 3.390 1.00 0.00 H new ATOM 0 HD3 LYS B 44 -8.003 4.257 3.643 1.00 0.00 H new ATOM 0 HE2 LYS B 44 -6.690 3.362 1.040 1.00 0.00 H new ATOM 0 HE3 LYS B 44 -7.693 2.380 2.090 1.00 0.00 H new ATOM 0 HZ1 LYS B 44 -8.960 3.126 0.229 1.00 0.00 H new ATOM 0 HZ2 LYS B 44 -9.554 3.894 1.623 1.00 0.00 H new ATOM 0 HZ3 LYS B 44 -8.571 4.751 0.535 1.00 0.00 H new ATOM 1835 N PHE B 45 -3.651 7.593 2.608 1.00 0.00 N ATOM 1836 CA PHE B 45 -2.907 8.180 3.719 1.00 0.00 C ATOM 1837 C PHE B 45 -2.282 9.519 3.362 1.00 0.00 C ATOM 1838 O PHE B 45 -2.121 10.382 4.211 1.00 0.00 O ATOM 1839 CB PHE B 45 -1.889 7.192 4.287 1.00 0.00 C ATOM 1840 CG PHE B 45 -2.541 6.131 5.123 1.00 0.00 C ATOM 1841 CD1 PHE B 45 -3.054 4.969 4.558 1.00 0.00 C ATOM 1842 CD2 PHE B 45 -2.673 6.318 6.479 1.00 0.00 C ATOM 1843 CE1 PHE B 45 -3.673 4.020 5.340 1.00 0.00 C ATOM 1844 CE2 PHE B 45 -3.295 5.379 7.263 1.00 0.00 C ATOM 1845 CZ PHE B 45 -3.796 4.225 6.696 1.00 0.00 C ATOM 0 H PHE B 45 -3.164 6.831 2.136 1.00 0.00 H new ATOM 0 HA PHE B 45 -3.627 8.393 4.510 1.00 0.00 H new ATOM 0 HB2 PHE B 45 -1.343 6.724 3.468 1.00 0.00 H new ATOM 0 HB3 PHE B 45 -1.159 7.731 4.890 1.00 0.00 H new ATOM 0 HD1 PHE B 45 -2.966 4.809 3.494 1.00 0.00 H new ATOM 0 HD2 PHE B 45 -2.282 7.216 6.933 1.00 0.00 H new ATOM 0 HE1 PHE B 45 -4.061 3.117 4.891 1.00 0.00 H new ATOM 0 HE2 PHE B 45 -3.393 5.544 8.326 1.00 0.00 H new ATOM 0 HZ PHE B 45 -4.283 3.485 7.314 1.00 0.00 H new ATOM 1855 N MET B 46 -1.959 9.699 2.091 1.00 0.00 N ATOM 1856 CA MET B 46 -1.462 10.989 1.592 1.00 0.00 C ATOM 1857 C MET B 46 -2.589 11.997 1.662 1.00 0.00 C ATOM 1858 O MET B 46 -2.356 13.198 1.662 1.00 0.00 O ATOM 1859 CB MET B 46 -1.012 10.897 0.116 1.00 0.00 C ATOM 1860 CG MET B 46 0.170 9.980 -0.225 1.00 0.00 C ATOM 1861 SD MET B 46 1.829 10.659 0.075 1.00 0.00 S ATOM 1862 CE MET B 46 1.939 10.726 1.855 1.00 0.00 C ATOM 0 H MET B 46 -2.029 8.972 1.379 1.00 0.00 H new ATOM 0 HA MET B 46 -0.609 11.281 2.205 1.00 0.00 H new ATOM 0 HB2 MET B 46 -1.868 10.570 -0.474 1.00 0.00 H new ATOM 0 HB3 MET B 46 -0.760 11.903 -0.219 1.00 0.00 H new ATOM 0 HG2 MET B 46 0.067 9.061 0.352 1.00 0.00 H new ATOM 0 HG3 MET B 46 0.098 9.706 -1.277 1.00 0.00 H new ATOM 0 HE1 MET B 46 2.977 10.598 2.160 1.00 0.00 H new ATOM 0 HE2 MET B 46 1.574 11.691 2.206 1.00 0.00 H new ATOM 0 HE3 MET B 46 1.333 9.930 2.287 1.00 0.00 H new