USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 510 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 43 ASN : amide:sc= -2.37! C(o=-1.8!,f=-15!) USER MOD Set 1.2: A 46 SER OG : rot 82:sc= 0.619 USER MOD Single : A 1 GLU N :NH3+ -155:sc= -0.525 (180deg=-2.06!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.0387 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 150:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -1.16 K(o=-1.2,f=-5.7!) USER MOD Single : A 15 TYR OH : rot 150:sc= -0.0615 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -2.24! C(o=-2.2!,f=-2.7!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.084) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HE2:sc= -1.01 X(o=-1,f=-0.56) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl 144:sc= -0.643 (180deg=-2.51!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 156:sc= -0.317 (180deg=-1.99!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -117:sc= -0.015 (180deg=-0.353) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.738 K(o=-0.74,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 12.379 13.366 7.641 1.00 0.00 N ATOM 2 CA GLU A 1 13.636 14.010 7.162 1.00 0.00 C ATOM 3 C GLU A 1 14.792 13.007 7.201 1.00 0.00 C ATOM 4 O GLU A 1 15.808 13.191 6.561 1.00 0.00 O ATOM 5 CB GLU A 1 13.889 15.160 8.137 1.00 0.00 C ATOM 6 CG GLU A 1 12.693 16.113 8.123 1.00 0.00 C ATOM 7 CD GLU A 1 12.860 17.158 9.227 1.00 0.00 C ATOM 8 OE1 GLU A 1 13.722 16.968 10.070 1.00 0.00 O ATOM 9 OE2 GLU A 1 12.125 18.132 9.211 1.00 0.00 O ATOM 0 H1 GLU A 1 11.559 13.861 7.236 1.00 0.00 H new ATOM 0 H2 GLU A 1 12.364 12.370 7.343 1.00 0.00 H new ATOM 0 H3 GLU A 1 12.336 13.418 8.679 1.00 0.00 H new ATOM 0 HA GLU A 1 13.555 14.360 6.133 1.00 0.00 H new ATOM 0 HB2 GLU A 1 14.045 14.770 9.143 1.00 0.00 H new ATOM 0 HB3 GLU A 1 14.797 15.695 7.858 1.00 0.00 H new ATOM 0 HG2 GLU A 1 12.616 16.603 7.152 1.00 0.00 H new ATOM 0 HG3 GLU A 1 11.768 15.555 8.272 1.00 0.00 H new ATOM 18 N SER A 2 14.643 11.947 7.946 1.00 0.00 N ATOM 19 CA SER A 2 15.734 10.933 8.025 1.00 0.00 C ATOM 20 C SER A 2 15.495 9.819 7.003 1.00 0.00 C ATOM 21 O SER A 2 16.102 8.767 7.063 1.00 0.00 O ATOM 22 CB SER A 2 15.658 10.381 9.449 1.00 0.00 C ATOM 23 OG SER A 2 14.496 9.574 9.582 1.00 0.00 O ATOM 0 H SER A 2 13.815 11.738 8.503 1.00 0.00 H new ATOM 0 HA SER A 2 16.713 11.360 7.805 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.549 9.794 9.671 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.629 11.200 10.167 1.00 0.00 H new ATOM 0 HG SER A 2 14.447 9.218 10.494 1.00 0.00 H new ATOM 29 N GLY A 3 14.615 10.040 6.066 1.00 0.00 N ATOM 30 CA GLY A 3 14.338 8.994 5.041 1.00 0.00 C ATOM 31 C GLY A 3 12.827 8.795 4.912 1.00 0.00 C ATOM 32 O GLY A 3 12.045 9.473 5.551 1.00 0.00 O ATOM 0 H GLY A 3 14.075 10.900 5.966 1.00 0.00 H new ATOM 0 HA2 GLY A 3 14.760 9.290 4.081 1.00 0.00 H new ATOM 0 HA3 GLY A 3 14.816 8.056 5.324 1.00 0.00 H new ATOM 36 N LYS A 4 12.408 7.871 4.092 1.00 0.00 N ATOM 37 CA LYS A 4 10.945 7.630 3.923 1.00 0.00 C ATOM 38 C LYS A 4 10.421 6.741 5.054 1.00 0.00 C ATOM 39 O LYS A 4 11.178 6.092 5.747 1.00 0.00 O ATOM 40 CB LYS A 4 10.815 6.917 2.577 1.00 0.00 C ATOM 41 CG LYS A 4 11.445 7.776 1.480 1.00 0.00 C ATOM 42 CD LYS A 4 11.216 7.114 0.119 1.00 0.00 C ATOM 43 CE LYS A 4 11.815 7.991 -0.982 1.00 0.00 C ATOM 44 NZ LYS A 4 10.650 8.406 -1.815 1.00 0.00 N ATOM 0 H LYS A 4 13.014 7.272 3.531 1.00 0.00 H new ATOM 0 HA LYS A 4 10.368 8.554 3.953 1.00 0.00 H new ATOM 0 HB2 LYS A 4 11.307 5.945 2.620 1.00 0.00 H new ATOM 0 HB3 LYS A 4 9.765 6.733 2.351 1.00 0.00 H new ATOM 0 HG2 LYS A 4 11.008 8.774 1.489 1.00 0.00 H new ATOM 0 HG3 LYS A 4 12.513 7.894 1.664 1.00 0.00 H new ATOM 0 HD2 LYS A 4 11.675 6.126 0.102 1.00 0.00 H new ATOM 0 HD3 LYS A 4 10.149 6.973 -0.054 1.00 0.00 H new ATOM 0 HE2 LYS A 4 12.329 8.856 -0.563 1.00 0.00 H new ATOM 0 HE3 LYS A 4 12.547 7.440 -1.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.978 9.012 -2.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 10.184 7.562 -2.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 9.974 8.934 -1.227 1.00 0.00 H new ATOM 58 N ALA A 5 9.130 6.708 5.244 1.00 0.00 N ATOM 59 CA ALA A 5 8.559 5.859 6.330 1.00 0.00 C ATOM 60 C ALA A 5 8.944 4.393 6.110 1.00 0.00 C ATOM 61 O ALA A 5 8.893 3.585 7.016 1.00 0.00 O ATOM 62 CB ALA A 5 7.045 6.039 6.218 1.00 0.00 C ATOM 0 H ALA A 5 8.447 7.231 4.696 1.00 0.00 H new ATOM 0 HA ALA A 5 8.931 6.141 7.315 1.00 0.00 H new ATOM 0 HB1 ALA A 5 6.550 5.444 6.986 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.793 7.091 6.355 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.711 5.711 5.234 1.00 0.00 H new ATOM 68 N THR A 6 9.331 4.046 4.913 1.00 0.00 N ATOM 69 CA THR A 6 9.720 2.633 4.635 1.00 0.00 C ATOM 70 C THR A 6 10.986 2.594 3.774 1.00 0.00 C ATOM 71 O THR A 6 11.377 3.581 3.184 1.00 0.00 O ATOM 72 CB THR A 6 8.535 2.037 3.874 1.00 0.00 C ATOM 73 OG1 THR A 6 7.324 2.432 4.504 1.00 0.00 O ATOM 74 CG2 THR A 6 8.639 0.512 3.874 1.00 0.00 C ATOM 0 H THR A 6 9.395 4.679 4.116 1.00 0.00 H new ATOM 0 HA THR A 6 9.938 2.077 5.547 1.00 0.00 H new ATOM 0 HB THR A 6 8.545 2.398 2.845 1.00 0.00 H new ATOM 0 HG1 THR A 6 6.563 2.052 4.017 1.00 0.00 H new ATOM 0 HG21 THR A 6 7.793 0.090 3.331 1.00 0.00 H new ATOM 0 HG22 THR A 6 9.568 0.211 3.390 1.00 0.00 H new ATOM 0 HG23 THR A 6 8.630 0.147 4.901 1.00 0.00 H new ATOM 82 N SER A 7 11.629 1.460 3.698 1.00 0.00 N ATOM 83 CA SER A 7 12.868 1.360 2.875 1.00 0.00 C ATOM 84 C SER A 7 12.812 0.118 1.982 1.00 0.00 C ATOM 85 O SER A 7 12.239 -0.891 2.342 1.00 0.00 O ATOM 86 CB SER A 7 14.007 1.241 3.887 1.00 0.00 C ATOM 87 OG SER A 7 15.159 0.718 3.243 1.00 0.00 O ATOM 0 H SER A 7 11.350 0.600 4.170 1.00 0.00 H new ATOM 0 HA SER A 7 12.996 2.219 2.216 1.00 0.00 H new ATOM 0 HB2 SER A 7 14.229 2.218 4.317 1.00 0.00 H new ATOM 0 HB3 SER A 7 13.710 0.591 4.710 1.00 0.00 H new ATOM 0 HG SER A 7 15.890 0.643 3.891 1.00 0.00 H new ATOM 93 N TYR A 8 13.406 0.181 0.822 1.00 0.00 N ATOM 94 CA TYR A 8 13.386 -0.998 -0.090 1.00 0.00 C ATOM 95 C TYR A 8 14.243 -2.127 0.489 1.00 0.00 C ATOM 96 O TYR A 8 13.799 -3.250 0.623 1.00 0.00 O ATOM 97 CB TYR A 8 13.979 -0.492 -1.405 1.00 0.00 C ATOM 98 CG TYR A 8 13.150 0.663 -1.915 1.00 0.00 C ATOM 99 CD1 TYR A 8 11.755 0.621 -1.810 1.00 0.00 C ATOM 100 CD2 TYR A 8 13.776 1.774 -2.490 1.00 0.00 C ATOM 101 CE1 TYR A 8 10.985 1.691 -2.280 1.00 0.00 C ATOM 102 CE2 TYR A 8 13.006 2.845 -2.962 1.00 0.00 C ATOM 103 CZ TYR A 8 11.610 2.803 -2.856 1.00 0.00 C ATOM 104 OH TYR A 8 10.851 3.858 -3.320 1.00 0.00 O ATOM 0 H TYR A 8 13.904 0.997 0.466 1.00 0.00 H new ATOM 0 HA TYR A 8 12.382 -1.400 -0.226 1.00 0.00 H new ATOM 0 HB2 TYR A 8 15.011 -0.175 -1.254 1.00 0.00 H new ATOM 0 HB3 TYR A 8 13.997 -1.295 -2.142 1.00 0.00 H new ATOM 0 HD1 TYR A 8 11.273 -0.237 -1.366 1.00 0.00 H new ATOM 0 HD2 TYR A 8 14.853 1.806 -2.570 1.00 0.00 H new ATOM 0 HE1 TYR A 8 9.909 1.659 -2.198 1.00 0.00 H new ATOM 0 HE2 TYR A 8 13.489 3.702 -3.407 1.00 0.00 H new ATOM 0 HH TYR A 8 11.363 4.690 -3.239 1.00 0.00 H new ATOM 114 N ALA A 9 15.467 -1.837 0.839 1.00 0.00 N ATOM 115 CA ALA A 9 16.346 -2.895 1.413 1.00 0.00 C ATOM 116 C ALA A 9 15.637 -3.589 2.579 1.00 0.00 C ATOM 117 O ALA A 9 15.925 -4.722 2.910 1.00 0.00 O ATOM 118 CB ALA A 9 17.591 -2.156 1.902 1.00 0.00 C ATOM 0 H ALA A 9 15.895 -0.915 0.752 1.00 0.00 H new ATOM 0 HA ALA A 9 16.595 -3.668 0.686 1.00 0.00 H new ATOM 0 HB1 ALA A 9 18.289 -2.869 2.340 1.00 0.00 H new ATOM 0 HB2 ALA A 9 18.067 -1.651 1.062 1.00 0.00 H new ATOM 0 HB3 ALA A 9 17.306 -1.420 2.654 1.00 0.00 H new ATOM 124 N GLU A 10 14.705 -2.918 3.201 1.00 0.00 N ATOM 125 CA GLU A 10 13.969 -3.538 4.340 1.00 0.00 C ATOM 126 C GLU A 10 12.614 -4.054 3.853 1.00 0.00 C ATOM 127 O GLU A 10 12.203 -5.152 4.171 1.00 0.00 O ATOM 128 CB GLU A 10 13.785 -2.411 5.356 1.00 0.00 C ATOM 129 CG GLU A 10 13.307 -2.996 6.686 1.00 0.00 C ATOM 130 CD GLU A 10 12.904 -1.860 7.627 1.00 0.00 C ATOM 131 OE1 GLU A 10 13.149 -0.715 7.282 1.00 0.00 O ATOM 132 OE2 GLU A 10 12.354 -2.153 8.676 1.00 0.00 O ATOM 0 H GLU A 10 14.421 -1.966 2.969 1.00 0.00 H new ATOM 0 HA GLU A 10 14.501 -4.385 4.773 1.00 0.00 H new ATOM 0 HB2 GLU A 10 14.725 -1.878 5.498 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.061 -1.686 4.984 1.00 0.00 H new ATOM 0 HG2 GLU A 10 12.460 -3.662 6.519 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.099 -3.594 7.138 1.00 0.00 H new ATOM 139 N LEU A 11 11.924 -3.268 3.074 1.00 0.00 N ATOM 140 CA LEU A 11 10.601 -3.707 2.549 1.00 0.00 C ATOM 141 C LEU A 11 10.792 -4.895 1.610 1.00 0.00 C ATOM 142 O LEU A 11 10.292 -5.977 1.844 1.00 0.00 O ATOM 143 CB LEU A 11 10.062 -2.497 1.784 1.00 0.00 C ATOM 144 CG LEU A 11 8.555 -2.650 1.581 1.00 0.00 C ATOM 145 CD1 LEU A 11 7.819 -2.088 2.799 1.00 0.00 C ATOM 146 CD2 LEU A 11 8.130 -1.880 0.328 1.00 0.00 C ATOM 0 H LEU A 11 12.220 -2.338 2.778 1.00 0.00 H new ATOM 0 HA LEU A 11 9.918 -4.025 3.337 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.274 -1.581 2.336 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.562 -2.411 0.819 1.00 0.00 H new ATOM 0 HG LEU A 11 8.308 -3.705 1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.744 -2.196 2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.123 -2.634 3.692 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.065 -1.033 2.918 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.055 -1.988 0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.376 -0.825 0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.656 -2.278 -0.540 1.00 0.00 H new ATOM 158 N CYS A 12 11.529 -4.701 0.554 1.00 0.00 N ATOM 159 CA CYS A 12 11.776 -5.816 -0.400 1.00 0.00 C ATOM 160 C CYS A 12 12.506 -6.951 0.318 1.00 0.00 C ATOM 161 O CYS A 12 12.586 -8.061 -0.168 1.00 0.00 O ATOM 162 CB CYS A 12 12.657 -5.213 -1.492 1.00 0.00 C ATOM 163 SG CYS A 12 11.626 -4.241 -2.617 1.00 0.00 S ATOM 0 H CYS A 12 11.972 -3.816 0.310 1.00 0.00 H new ATOM 0 HA CYS A 12 10.856 -6.232 -0.810 1.00 0.00 H new ATOM 0 HB2 CYS A 12 13.427 -4.582 -1.048 1.00 0.00 H new ATOM 0 HB3 CYS A 12 13.170 -6.003 -2.040 1.00 0.00 H new ATOM 168 N ASN A 13 13.031 -6.676 1.481 1.00 0.00 N ATOM 169 CA ASN A 13 13.748 -7.732 2.249 1.00 0.00 C ATOM 170 C ASN A 13 12.973 -9.045 2.176 1.00 0.00 C ATOM 171 O ASN A 13 13.512 -10.085 1.851 1.00 0.00 O ATOM 172 CB ASN A 13 13.776 -7.209 3.684 1.00 0.00 C ATOM 173 CG ASN A 13 14.707 -8.082 4.529 1.00 0.00 C ATOM 174 OD1 ASN A 13 15.817 -8.370 4.129 1.00 0.00 O ATOM 175 ND2 ASN A 13 14.297 -8.518 5.688 1.00 0.00 N ATOM 0 H ASN A 13 12.994 -5.762 1.933 1.00 0.00 H new ATOM 0 HA ASN A 13 14.748 -7.929 1.862 1.00 0.00 H new ATOM 0 HB2 ASN A 13 14.118 -6.174 3.698 1.00 0.00 H new ATOM 0 HB3 ASN A 13 12.771 -7.218 4.105 1.00 0.00 H new ATOM 0 HD21 ASN A 13 14.909 -9.101 6.259 1.00 0.00 H new ATOM 0 HD22 ASN A 13 13.365 -8.276 6.023 1.00 0.00 H new ATOM 182 N GLU A 14 11.708 -9.000 2.478 1.00 0.00 N ATOM 183 CA GLU A 14 10.880 -10.239 2.434 1.00 0.00 C ATOM 184 C GLU A 14 11.084 -10.979 1.108 1.00 0.00 C ATOM 185 O GLU A 14 10.809 -12.158 1.002 1.00 0.00 O ATOM 186 CB GLU A 14 9.435 -9.752 2.557 1.00 0.00 C ATOM 187 CG GLU A 14 9.065 -9.623 4.036 1.00 0.00 C ATOM 188 CD GLU A 14 7.695 -8.954 4.164 1.00 0.00 C ATOM 189 OE1 GLU A 14 7.017 -8.840 3.155 1.00 0.00 O ATOM 190 OE2 GLU A 14 7.347 -8.566 5.266 1.00 0.00 O ATOM 0 H GLU A 14 11.208 -8.155 2.755 1.00 0.00 H new ATOM 0 HA GLU A 14 11.148 -10.938 3.226 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.320 -8.790 2.057 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.761 -10.451 2.062 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.046 -10.607 4.504 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.819 -9.035 4.560 1.00 0.00 H new ATOM 197 N TYR A 15 11.557 -10.305 0.094 1.00 0.00 N ATOM 198 CA TYR A 15 11.765 -10.990 -1.214 1.00 0.00 C ATOM 199 C TYR A 15 13.188 -11.545 -1.306 1.00 0.00 C ATOM 200 O TYR A 15 13.459 -12.456 -2.063 1.00 0.00 O ATOM 201 CB TYR A 15 11.535 -9.910 -2.269 1.00 0.00 C ATOM 202 CG TYR A 15 10.055 -9.676 -2.427 1.00 0.00 C ATOM 203 CD1 TYR A 15 9.265 -10.631 -3.076 1.00 0.00 C ATOM 204 CD2 TYR A 15 9.470 -8.511 -1.920 1.00 0.00 C ATOM 205 CE1 TYR A 15 7.889 -10.422 -3.219 1.00 0.00 C ATOM 206 CE2 TYR A 15 8.093 -8.299 -2.062 1.00 0.00 C ATOM 207 CZ TYR A 15 7.302 -9.255 -2.713 1.00 0.00 C ATOM 208 OH TYR A 15 5.945 -9.048 -2.854 1.00 0.00 O ATOM 0 H TYR A 15 11.807 -9.316 0.114 1.00 0.00 H new ATOM 0 HA TYR A 15 11.091 -11.836 -1.347 1.00 0.00 H new ATOM 0 HB2 TYR A 15 12.032 -8.986 -1.974 1.00 0.00 H new ATOM 0 HB3 TYR A 15 11.970 -10.216 -3.220 1.00 0.00 H new ATOM 0 HD1 TYR A 15 9.718 -11.530 -3.467 1.00 0.00 H new ATOM 0 HD2 TYR A 15 10.081 -7.775 -1.419 1.00 0.00 H new ATOM 0 HE1 TYR A 15 7.280 -11.160 -3.719 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.641 -7.400 -1.670 1.00 0.00 H new ATOM 0 HH TYR A 15 5.616 -8.512 -2.103 1.00 0.00 H new ATOM 218 N ARG A 16 14.099 -11.008 -0.543 1.00 0.00 N ATOM 219 CA ARG A 16 15.498 -11.517 -0.595 1.00 0.00 C ATOM 220 C ARG A 16 15.495 -13.043 -0.510 1.00 0.00 C ATOM 221 O ARG A 16 16.251 -13.716 -1.182 1.00 0.00 O ATOM 222 CB ARG A 16 16.189 -10.902 0.620 1.00 0.00 C ATOM 223 CG ARG A 16 16.312 -9.394 0.408 1.00 0.00 C ATOM 224 CD ARG A 16 17.232 -8.795 1.470 1.00 0.00 C ATOM 225 NE ARG A 16 16.985 -7.327 1.396 1.00 0.00 N ATOM 226 CZ ARG A 16 17.885 -6.490 1.834 1.00 0.00 C ATOM 227 NH1 ARG A 16 18.766 -5.990 1.010 1.00 0.00 N ATOM 228 NH2 ARG A 16 17.904 -6.152 3.094 1.00 0.00 N ATOM 0 H ARG A 16 13.937 -10.242 0.111 1.00 0.00 H new ATOM 0 HA ARG A 16 16.008 -11.252 -1.521 1.00 0.00 H new ATOM 0 HB2 ARG A 16 15.617 -11.110 1.524 1.00 0.00 H new ATOM 0 HB3 ARG A 16 17.175 -11.345 0.757 1.00 0.00 H new ATOM 0 HG2 ARG A 16 16.708 -9.189 -0.587 1.00 0.00 H new ATOM 0 HG3 ARG A 16 15.328 -8.929 0.462 1.00 0.00 H new ATOM 0 HD2 ARG A 16 17.001 -9.186 2.461 1.00 0.00 H new ATOM 0 HD3 ARG A 16 18.277 -9.032 1.269 1.00 0.00 H new ATOM 0 HE ARG A 16 16.112 -6.976 1.003 1.00 0.00 H new ATOM 0 HH11 ARG A 16 18.750 -6.254 0.025 1.00 0.00 H new ATOM 0 HH12 ARG A 16 19.470 -5.336 1.352 1.00 0.00 H new ATOM 0 HH21 ARG A 16 17.215 -6.542 3.737 1.00 0.00 H new ATOM 0 HH22 ARG A 16 18.608 -5.498 3.436 1.00 0.00 H new ATOM 242 N LYS A 17 14.636 -13.593 0.301 1.00 0.00 N ATOM 243 CA LYS A 17 14.569 -15.076 0.414 1.00 0.00 C ATOM 244 C LYS A 17 14.064 -15.661 -0.905 1.00 0.00 C ATOM 245 O LYS A 17 14.293 -16.813 -1.218 1.00 0.00 O ATOM 246 CB LYS A 17 13.574 -15.348 1.544 1.00 0.00 C ATOM 247 CG LYS A 17 12.255 -14.633 1.246 1.00 0.00 C ATOM 248 CD LYS A 17 11.148 -15.223 2.122 1.00 0.00 C ATOM 249 CE LYS A 17 9.881 -14.379 1.979 1.00 0.00 C ATOM 250 NZ LYS A 17 8.811 -15.184 2.634 1.00 0.00 N ATOM 0 H LYS A 17 13.979 -13.081 0.889 1.00 0.00 H new ATOM 0 HA LYS A 17 15.539 -15.528 0.622 1.00 0.00 H new ATOM 0 HB2 LYS A 17 13.404 -16.420 1.643 1.00 0.00 H new ATOM 0 HB3 LYS A 17 13.982 -15.001 2.493 1.00 0.00 H new ATOM 0 HG2 LYS A 17 12.356 -13.565 1.439 1.00 0.00 H new ATOM 0 HG3 LYS A 17 11.998 -14.744 0.192 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.947 -16.253 1.828 1.00 0.00 H new ATOM 0 HD3 LYS A 17 11.467 -15.246 3.164 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.996 -13.408 2.461 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.648 -14.190 0.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.908 -14.672 2.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.720 -16.100 2.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.058 -15.343 3.632 1.00 0.00 H new ATOM 264 N LEU A 18 13.387 -14.863 -1.688 1.00 0.00 N ATOM 265 CA LEU A 18 12.875 -15.355 -2.999 1.00 0.00 C ATOM 266 C LEU A 18 13.940 -15.141 -4.075 1.00 0.00 C ATOM 267 O LEU A 18 14.073 -15.919 -4.999 1.00 0.00 O ATOM 268 CB LEU A 18 11.635 -14.506 -3.303 1.00 0.00 C ATOM 269 CG LEU A 18 10.818 -14.281 -2.026 1.00 0.00 C ATOM 270 CD1 LEU A 18 9.511 -13.569 -2.379 1.00 0.00 C ATOM 271 CD2 LEU A 18 10.496 -15.625 -1.377 1.00 0.00 C ATOM 0 H LEU A 18 13.167 -13.890 -1.475 1.00 0.00 H new ATOM 0 HA LEU A 18 12.635 -16.418 -2.975 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.937 -13.547 -3.723 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.020 -15.003 -4.053 1.00 0.00 H new ATOM 0 HG LEU A 18 11.396 -13.671 -1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.928 -13.408 -1.472 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.734 -12.608 -2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.938 -14.183 -3.074 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.915 -15.461 -0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.919 -16.236 -2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 18 11.424 -16.139 -1.126 1.00 0.00 H new ATOM 283 N VAL A 19 14.701 -14.085 -3.959 1.00 0.00 N ATOM 284 CA VAL A 19 15.763 -13.809 -4.969 1.00 0.00 C ATOM 285 C VAL A 19 16.707 -15.009 -5.085 1.00 0.00 C ATOM 286 O VAL A 19 17.375 -15.379 -4.140 1.00 0.00 O ATOM 287 CB VAL A 19 16.514 -12.589 -4.431 1.00 0.00 C ATOM 288 CG1 VAL A 19 17.794 -12.380 -5.243 1.00 0.00 C ATOM 289 CG2 VAL A 19 15.630 -11.345 -4.547 1.00 0.00 C ATOM 0 H VAL A 19 14.632 -13.400 -3.206 1.00 0.00 H new ATOM 0 HA VAL A 19 15.351 -13.630 -5.962 1.00 0.00 H new ATOM 0 HB VAL A 19 16.767 -12.755 -3.384 1.00 0.00 H new ATOM 0 HG11 VAL A 19 18.330 -11.511 -4.861 1.00 0.00 H new ATOM 0 HG12 VAL A 19 18.427 -13.263 -5.158 1.00 0.00 H new ATOM 0 HG13 VAL A 19 17.538 -12.217 -6.290 1.00 0.00 H new ATOM 0 HG21 VAL A 19 16.169 -10.479 -4.163 1.00 0.00 H new ATOM 0 HG22 VAL A 19 15.373 -11.178 -5.593 1.00 0.00 H new ATOM 0 HG23 VAL A 19 14.718 -11.491 -3.968 1.00 0.00 H new ATOM 299 N ARG A 20 16.769 -15.618 -6.237 1.00 0.00 N ATOM 300 CA ARG A 20 17.671 -16.792 -6.412 1.00 0.00 C ATOM 301 C ARG A 20 19.109 -16.319 -6.649 1.00 0.00 C ATOM 302 O ARG A 20 19.863 -16.103 -5.721 1.00 0.00 O ATOM 303 CB ARG A 20 17.132 -17.524 -7.641 1.00 0.00 C ATOM 304 CG ARG A 20 15.733 -18.063 -7.338 1.00 0.00 C ATOM 305 CD ARG A 20 15.615 -19.493 -7.867 1.00 0.00 C ATOM 306 NE ARG A 20 14.287 -19.969 -7.388 1.00 0.00 N ATOM 307 CZ ARG A 20 14.175 -20.509 -6.205 1.00 0.00 C ATOM 308 NH1 ARG A 20 13.424 -19.945 -5.298 1.00 0.00 N ATOM 309 NH2 ARG A 20 14.815 -21.612 -5.928 1.00 0.00 N ATOM 0 H ARG A 20 16.234 -15.354 -7.065 1.00 0.00 H new ATOM 0 HA ARG A 20 17.691 -17.437 -5.533 1.00 0.00 H new ATOM 0 HB2 ARG A 20 17.096 -16.847 -8.494 1.00 0.00 H new ATOM 0 HB3 ARG A 20 17.799 -18.343 -7.912 1.00 0.00 H new ATOM 0 HG2 ARG A 20 15.549 -18.044 -6.264 1.00 0.00 H new ATOM 0 HG3 ARG A 20 14.978 -17.428 -7.802 1.00 0.00 H new ATOM 0 HD2 ARG A 20 15.675 -19.518 -8.955 1.00 0.00 H new ATOM 0 HD3 ARG A 20 16.421 -20.122 -7.489 1.00 0.00 H new ATOM 0 HE ARG A 20 13.465 -19.873 -7.985 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.925 -19.082 -5.514 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.337 -20.367 -4.374 1.00 0.00 H new ATOM 0 HH21 ARG A 20 15.403 -22.052 -6.636 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.727 -22.034 -5.004 1.00 0.00 H new ATOM 323 N ASN A 21 19.493 -16.151 -7.886 1.00 0.00 N ATOM 324 CA ASN A 21 20.878 -15.686 -8.181 1.00 0.00 C ATOM 325 C ASN A 21 20.828 -14.353 -8.930 1.00 0.00 C ATOM 326 O ASN A 21 21.337 -14.224 -10.026 1.00 0.00 O ATOM 327 CB ASN A 21 21.482 -16.780 -9.061 1.00 0.00 C ATOM 328 CG ASN A 21 20.837 -16.739 -10.446 1.00 0.00 C ATOM 329 OD1 ASN A 21 21.363 -16.134 -11.359 1.00 0.00 O ATOM 330 ND2 ASN A 21 19.711 -17.366 -10.641 1.00 0.00 N ATOM 0 H ASN A 21 18.907 -16.316 -8.705 1.00 0.00 H new ATOM 0 HA ASN A 21 21.468 -15.523 -7.279 1.00 0.00 H new ATOM 0 HB2 ASN A 21 22.559 -16.639 -9.146 1.00 0.00 H new ATOM 0 HB3 ASN A 21 21.324 -17.757 -8.604 1.00 0.00 H new ATOM 0 HD21 ASN A 21 19.271 -17.349 -11.561 1.00 0.00 H new ATOM 0 HD22 ASN A 21 19.270 -17.874 -9.874 1.00 0.00 H new ATOM 337 N GLY A 22 20.207 -13.365 -8.350 1.00 0.00 N ATOM 338 CA GLY A 22 20.110 -12.043 -9.029 1.00 0.00 C ATOM 339 C GLY A 22 18.694 -11.870 -9.578 1.00 0.00 C ATOM 340 O GLY A 22 18.294 -10.790 -9.965 1.00 0.00 O ATOM 0 H GLY A 22 19.762 -13.416 -7.434 1.00 0.00 H new ATOM 0 HA2 GLY A 22 20.343 -11.241 -8.328 1.00 0.00 H new ATOM 0 HA3 GLY A 22 20.838 -11.981 -9.838 1.00 0.00 H new ATOM 344 N LYS A 23 17.931 -12.929 -9.613 1.00 0.00 N ATOM 345 CA LYS A 23 16.538 -12.832 -10.135 1.00 0.00 C ATOM 346 C LYS A 23 15.537 -12.895 -8.977 1.00 0.00 C ATOM 347 O LYS A 23 15.765 -13.556 -7.983 1.00 0.00 O ATOM 348 CB LYS A 23 16.375 -14.044 -11.052 1.00 0.00 C ATOM 349 CG LYS A 23 14.907 -14.186 -11.458 1.00 0.00 C ATOM 350 CD LYS A 23 14.754 -13.854 -12.943 1.00 0.00 C ATOM 351 CE LYS A 23 13.342 -14.218 -13.405 1.00 0.00 C ATOM 352 NZ LYS A 23 13.306 -13.849 -14.848 1.00 0.00 N ATOM 0 H LYS A 23 18.213 -13.859 -9.302 1.00 0.00 H new ATOM 0 HA LYS A 23 16.356 -11.895 -10.662 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.999 -13.928 -11.939 1.00 0.00 H new ATOM 0 HB3 LYS A 23 16.711 -14.947 -10.542 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.562 -15.201 -11.264 1.00 0.00 H new ATOM 0 HG3 LYS A 23 14.287 -13.519 -10.859 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.941 -12.793 -13.110 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.492 -14.404 -13.527 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.141 -15.280 -13.263 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.588 -13.672 -12.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.368 -14.069 -15.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.494 -12.831 -14.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.031 -14.389 -15.363 1.00 0.00 H new ATOM 366 N LEU A 24 14.431 -12.212 -9.095 1.00 0.00 N ATOM 367 CA LEU A 24 13.422 -12.233 -7.998 1.00 0.00 C ATOM 368 C LEU A 24 12.231 -13.115 -8.384 1.00 0.00 C ATOM 369 O LEU A 24 11.776 -13.101 -9.510 1.00 0.00 O ATOM 370 CB LEU A 24 12.976 -10.778 -7.842 1.00 0.00 C ATOM 371 CG LEU A 24 12.742 -10.462 -6.360 1.00 0.00 C ATOM 372 CD1 LEU A 24 11.930 -9.171 -6.241 1.00 0.00 C ATOM 373 CD2 LEU A 24 11.969 -11.605 -5.700 1.00 0.00 C ATOM 0 H LEU A 24 14.183 -11.641 -9.903 1.00 0.00 H new ATOM 0 HA LEU A 24 13.832 -12.639 -7.073 1.00 0.00 H new ATOM 0 HB2 LEU A 24 13.734 -10.110 -8.250 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.061 -10.606 -8.409 1.00 0.00 H new ATOM 0 HG LEU A 24 13.704 -10.343 -5.862 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.761 -8.943 -5.189 1.00 0.00 H new ATOM 0 HD12 LEU A 24 12.478 -8.352 -6.707 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.971 -9.297 -6.743 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.806 -11.374 -4.647 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.007 -11.728 -6.197 1.00 0.00 H new ATOM 0 HD23 LEU A 24 12.542 -12.528 -5.784 1.00 0.00 H new ATOM 385 N ALA A 25 11.720 -13.878 -7.456 1.00 0.00 N ATOM 386 CA ALA A 25 10.555 -14.753 -7.770 1.00 0.00 C ATOM 387 C ALA A 25 9.253 -13.965 -7.606 1.00 0.00 C ATOM 388 O ALA A 25 8.895 -13.557 -6.519 1.00 0.00 O ATOM 389 CB ALA A 25 10.625 -15.890 -6.749 1.00 0.00 C ATOM 0 H ALA A 25 12.059 -13.933 -6.495 1.00 0.00 H new ATOM 0 HA ALA A 25 10.579 -15.126 -8.794 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.797 -16.579 -6.915 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.569 -16.423 -6.862 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.558 -15.479 -5.742 1.00 0.00 H new ATOM 395 N CYS A 26 8.545 -13.740 -8.679 1.00 0.00 N ATOM 396 CA CYS A 26 7.271 -12.969 -8.582 1.00 0.00 C ATOM 397 C CYS A 26 6.070 -13.918 -8.571 1.00 0.00 C ATOM 398 O CYS A 26 6.175 -15.075 -8.927 1.00 0.00 O ATOM 399 CB CYS A 26 7.250 -12.088 -9.829 1.00 0.00 C ATOM 400 SG CYS A 26 7.988 -10.481 -9.442 1.00 0.00 S ATOM 0 H CYS A 26 8.792 -14.055 -9.617 1.00 0.00 H new ATOM 0 HA CYS A 26 7.213 -12.382 -7.665 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.802 -12.569 -10.637 1.00 0.00 H new ATOM 0 HB3 CYS A 26 6.226 -11.956 -10.177 1.00 0.00 H new ATOM 405 N THR A 27 4.927 -13.434 -8.165 1.00 0.00 N ATOM 406 CA THR A 27 3.717 -14.304 -8.129 1.00 0.00 C ATOM 407 C THR A 27 2.583 -13.664 -8.935 1.00 0.00 C ATOM 408 O THR A 27 2.778 -12.688 -9.633 1.00 0.00 O ATOM 409 CB THR A 27 3.337 -14.394 -6.649 1.00 0.00 C ATOM 410 OG1 THR A 27 3.536 -13.129 -6.034 1.00 0.00 O ATOM 411 CG2 THR A 27 4.212 -15.442 -5.960 1.00 0.00 C ATOM 0 H THR A 27 4.779 -12.473 -7.857 1.00 0.00 H new ATOM 0 HA THR A 27 3.902 -15.287 -8.563 1.00 0.00 H new ATOM 0 HB THR A 27 2.290 -14.682 -6.558 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.292 -13.184 -5.087 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.941 -15.506 -4.906 1.00 0.00 H new ATOM 0 HG22 THR A 27 4.059 -16.412 -6.433 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.260 -15.156 -6.049 1.00 0.00 H new ATOM 419 N ARG A 28 1.400 -14.206 -8.846 1.00 0.00 N ATOM 420 CA ARG A 28 0.255 -13.629 -9.608 1.00 0.00 C ATOM 421 C ARG A 28 -0.575 -12.710 -8.706 1.00 0.00 C ATOM 422 O ARG A 28 -1.767 -12.560 -8.887 1.00 0.00 O ATOM 423 CB ARG A 28 -0.574 -14.835 -10.051 1.00 0.00 C ATOM 424 CG ARG A 28 0.233 -15.671 -11.046 1.00 0.00 C ATOM 425 CD ARG A 28 -0.668 -16.745 -11.660 1.00 0.00 C ATOM 426 NE ARG A 28 0.260 -17.643 -12.403 1.00 0.00 N ATOM 427 CZ ARG A 28 -0.179 -18.767 -12.898 1.00 0.00 C ATOM 428 NH1 ARG A 28 -1.337 -18.809 -13.498 1.00 0.00 N ATOM 429 NH2 ARG A 28 0.542 -19.851 -12.795 1.00 0.00 N ATOM 0 H ARG A 28 1.176 -15.024 -8.279 1.00 0.00 H new ATOM 0 HA ARG A 28 0.586 -13.027 -10.455 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.845 -15.441 -9.186 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.504 -14.501 -10.511 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.639 -15.031 -11.829 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.081 -16.136 -10.543 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.214 -17.290 -10.890 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -1.410 -16.305 -12.326 1.00 0.00 H new ATOM 0 HE ARG A 28 1.238 -17.379 -12.524 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -1.900 -17.962 -13.580 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.679 -19.689 -13.885 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.448 -19.818 -12.328 1.00 0.00 H new ATOM 0 HH22 ARG A 28 0.199 -20.730 -13.182 1.00 0.00 H new ATOM 443 N GLU A 29 0.045 -12.094 -7.738 1.00 0.00 N ATOM 444 CA GLU A 29 -0.712 -11.186 -6.828 1.00 0.00 C ATOM 445 C GLU A 29 -1.309 -10.021 -7.623 1.00 0.00 C ATOM 446 O GLU A 29 -0.740 -9.564 -8.594 1.00 0.00 O ATOM 447 CB GLU A 29 0.322 -10.676 -5.825 1.00 0.00 C ATOM 448 CG GLU A 29 -0.337 -9.669 -4.881 1.00 0.00 C ATOM 449 CD GLU A 29 0.738 -8.985 -4.033 1.00 0.00 C ATOM 450 OE1 GLU A 29 1.907 -9.242 -4.275 1.00 0.00 O ATOM 451 OE2 GLU A 29 0.374 -8.219 -3.157 1.00 0.00 O ATOM 0 H GLU A 29 1.041 -12.179 -7.537 1.00 0.00 H new ATOM 0 HA GLU A 29 -1.541 -11.693 -6.335 1.00 0.00 H new ATOM 0 HB2 GLU A 29 0.734 -11.509 -5.255 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.154 -10.207 -6.351 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.891 -8.925 -5.454 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -1.056 -10.175 -4.237 1.00 0.00 H new ATOM 458 N ASN A 30 -2.451 -9.537 -7.218 1.00 0.00 N ATOM 459 CA ASN A 30 -3.082 -8.402 -7.951 1.00 0.00 C ATOM 460 C ASN A 30 -2.951 -7.110 -7.140 1.00 0.00 C ATOM 461 O ASN A 30 -3.932 -6.502 -6.760 1.00 0.00 O ATOM 462 CB ASN A 30 -4.551 -8.796 -8.100 1.00 0.00 C ATOM 463 CG ASN A 30 -4.659 -10.036 -8.989 1.00 0.00 C ATOM 464 OD1 ASN A 30 -4.112 -10.070 -10.073 1.00 0.00 O ATOM 465 ND2 ASN A 30 -5.346 -11.063 -8.571 1.00 0.00 N ATOM 0 H ASN A 30 -2.975 -9.878 -6.412 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.609 -8.219 -8.916 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.985 -8.998 -7.121 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.117 -7.973 -8.536 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.424 -11.896 -9.155 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.805 -11.033 -7.661 1.00 0.00 H new ATOM 472 N ASP A 31 -1.746 -6.684 -6.875 1.00 0.00 N ATOM 473 CA ASP A 31 -1.554 -5.432 -6.090 1.00 0.00 C ATOM 474 C ASP A 31 -0.522 -4.530 -6.779 1.00 0.00 C ATOM 475 O ASP A 31 0.568 -4.344 -6.274 1.00 0.00 O ATOM 476 CB ASP A 31 -1.039 -5.893 -4.727 1.00 0.00 C ATOM 477 CG ASP A 31 -1.928 -5.316 -3.623 1.00 0.00 C ATOM 478 OD1 ASP A 31 -3.135 -5.460 -3.727 1.00 0.00 O ATOM 479 OD2 ASP A 31 -1.387 -4.741 -2.694 1.00 0.00 O ATOM 0 H ASP A 31 -0.887 -7.149 -7.168 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.474 -4.854 -6.002 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.038 -6.982 -4.676 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.009 -5.567 -4.586 1.00 0.00 H new ATOM 484 N PRO A 32 -0.897 -3.997 -7.915 1.00 0.00 N ATOM 485 CA PRO A 32 0.008 -3.107 -8.677 1.00 0.00 C ATOM 486 C PRO A 32 0.355 -1.866 -7.854 1.00 0.00 C ATOM 487 O PRO A 32 -0.464 -1.341 -7.125 1.00 0.00 O ATOM 488 CB PRO A 32 -0.831 -2.739 -9.903 1.00 0.00 C ATOM 489 CG PRO A 32 -2.199 -3.439 -9.795 1.00 0.00 C ATOM 490 CD PRO A 32 -2.237 -4.251 -8.493 1.00 0.00 C ATOM 0 HA PRO A 32 0.962 -3.568 -8.935 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -0.963 -1.659 -9.960 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -0.321 -3.046 -10.816 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.002 -2.702 -9.804 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -2.357 -4.093 -10.653 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -3.035 -3.916 -7.830 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -2.403 -5.312 -8.681 1.00 0.00 H new ATOM 498 N ILE A 33 1.562 -1.392 -7.970 1.00 0.00 N ATOM 499 CA ILE A 33 1.966 -0.180 -7.198 1.00 0.00 C ATOM 500 C ILE A 33 2.921 0.679 -8.032 1.00 0.00 C ATOM 501 O ILE A 33 3.071 0.484 -9.222 1.00 0.00 O ATOM 502 CB ILE A 33 2.659 -0.702 -5.927 1.00 0.00 C ATOM 503 CG1 ILE A 33 4.123 -1.050 -6.222 1.00 0.00 C ATOM 504 CG2 ILE A 33 1.934 -1.952 -5.417 1.00 0.00 C ATOM 505 CD1 ILE A 33 4.193 -2.039 -7.386 1.00 0.00 C ATOM 0 H ILE A 33 2.289 -1.789 -8.565 1.00 0.00 H new ATOM 0 HA ILE A 33 1.111 0.448 -6.947 1.00 0.00 H new ATOM 0 HB ILE A 33 2.624 0.078 -5.167 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.680 -0.145 -6.467 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.590 -1.482 -5.337 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.428 -2.318 -4.517 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.898 -1.703 -5.186 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.959 -2.726 -6.184 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.235 -2.284 -7.593 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.651 -2.948 -7.124 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.743 -1.591 -8.272 1.00 0.00 H new ATOM 517 N GLN A 34 3.564 1.628 -7.415 1.00 0.00 N ATOM 518 CA GLN A 34 4.506 2.504 -8.169 1.00 0.00 C ATOM 519 C GLN A 34 5.931 2.336 -7.634 1.00 0.00 C ATOM 520 O GLN A 34 6.139 2.085 -6.463 1.00 0.00 O ATOM 521 CB GLN A 34 4.004 3.926 -7.925 1.00 0.00 C ATOM 522 CG GLN A 34 2.553 4.043 -8.396 1.00 0.00 C ATOM 523 CD GLN A 34 2.029 5.449 -8.097 1.00 0.00 C ATOM 524 OE1 GLN A 34 2.608 6.171 -7.309 1.00 0.00 O ATOM 525 NE2 GLN A 34 0.949 5.871 -8.696 1.00 0.00 N ATOM 0 H GLN A 34 3.479 1.837 -6.420 1.00 0.00 H new ATOM 0 HA GLN A 34 4.537 2.260 -9.231 1.00 0.00 H new ATOM 0 HB2 GLN A 34 4.074 4.171 -6.865 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.630 4.641 -8.460 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.489 3.840 -9.465 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.935 3.299 -7.893 1.00 0.00 H new ATOM 0 HE21 GLN A 34 0.463 5.265 -9.357 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.591 6.806 -8.503 1.00 0.00 H new ATOM 534 N GLY A 35 6.912 2.473 -8.483 1.00 0.00 N ATOM 535 CA GLY A 35 8.322 2.323 -8.024 1.00 0.00 C ATOM 536 C GLY A 35 8.935 3.708 -7.796 1.00 0.00 C ATOM 537 O GLY A 35 8.341 4.710 -8.145 1.00 0.00 O ATOM 0 H GLY A 35 6.798 2.682 -9.475 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.356 1.742 -7.102 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.901 1.775 -8.767 1.00 0.00 H new ATOM 541 N PRO A 36 10.110 3.725 -7.214 1.00 0.00 N ATOM 542 CA PRO A 36 10.806 5.004 -6.939 1.00 0.00 C ATOM 543 C PRO A 36 11.100 5.749 -8.244 1.00 0.00 C ATOM 544 O PRO A 36 11.325 6.944 -8.250 1.00 0.00 O ATOM 545 CB PRO A 36 12.100 4.545 -6.262 1.00 0.00 C ATOM 546 CG PRO A 36 12.096 3.005 -6.176 1.00 0.00 C ATOM 547 CD PRO A 36 10.798 2.478 -6.804 1.00 0.00 C ATOM 0 HA PRO A 36 10.225 5.696 -6.329 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.965 4.889 -6.829 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.179 4.979 -5.265 1.00 0.00 H new ATOM 0 HG2 PRO A 36 12.961 2.596 -6.698 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.170 2.685 -5.137 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.995 1.825 -7.654 1.00 0.00 H new ATOM 0 HD3 PRO A 36 10.206 1.904 -6.091 1.00 0.00 H new ATOM 555 N ASP A 37 11.100 5.055 -9.349 1.00 0.00 N ATOM 556 CA ASP A 37 11.379 5.728 -10.650 1.00 0.00 C ATOM 557 C ASP A 37 10.145 6.491 -11.127 1.00 0.00 C ATOM 558 O ASP A 37 10.245 7.552 -11.710 1.00 0.00 O ATOM 559 CB ASP A 37 11.721 4.596 -11.619 1.00 0.00 C ATOM 560 CG ASP A 37 13.051 3.958 -11.211 1.00 0.00 C ATOM 561 OD1 ASP A 37 13.796 4.600 -10.491 1.00 0.00 O ATOM 562 OD2 ASP A 37 13.301 2.839 -11.627 1.00 0.00 O ATOM 0 H ASP A 37 10.919 4.053 -9.408 1.00 0.00 H new ATOM 0 HA ASP A 37 12.188 6.454 -10.573 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.929 3.847 -11.613 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.788 4.982 -12.636 1.00 0.00 H new ATOM 567 N GLY A 38 8.982 5.961 -10.880 1.00 0.00 N ATOM 568 CA GLY A 38 7.742 6.658 -11.315 1.00 0.00 C ATOM 569 C GLY A 38 6.875 5.698 -12.133 1.00 0.00 C ATOM 570 O GLY A 38 5.686 5.899 -12.286 1.00 0.00 O ATOM 0 H GLY A 38 8.836 5.075 -10.396 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.188 7.014 -10.446 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.995 7.534 -11.912 1.00 0.00 H new ATOM 574 N LYS A 39 7.460 4.658 -12.661 1.00 0.00 N ATOM 575 CA LYS A 39 6.668 3.688 -13.471 1.00 0.00 C ATOM 576 C LYS A 39 5.908 2.727 -12.553 1.00 0.00 C ATOM 577 O LYS A 39 6.297 2.489 -11.427 1.00 0.00 O ATOM 578 CB LYS A 39 7.703 2.931 -14.302 1.00 0.00 C ATOM 579 CG LYS A 39 6.988 2.020 -15.301 1.00 0.00 C ATOM 580 CD LYS A 39 8.007 1.094 -15.969 1.00 0.00 C ATOM 581 CE LYS A 39 7.353 0.386 -17.157 1.00 0.00 C ATOM 582 NZ LYS A 39 8.434 0.271 -18.175 1.00 0.00 N ATOM 0 H LYS A 39 8.451 4.438 -12.567 1.00 0.00 H new ATOM 0 HA LYS A 39 5.924 4.182 -14.097 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.346 3.635 -14.831 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.346 2.340 -13.650 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.226 1.431 -14.791 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.477 2.619 -16.054 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.870 1.668 -16.305 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.372 0.360 -15.251 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.972 -0.595 -16.872 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.508 0.957 -17.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 8.064 -0.205 -19.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.772 1.221 -18.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.222 -0.283 -17.783 1.00 0.00 H new ATOM 596 N VAL A 40 4.828 2.171 -13.028 1.00 0.00 N ATOM 597 CA VAL A 40 4.044 1.223 -12.183 1.00 0.00 C ATOM 598 C VAL A 40 4.415 -0.222 -12.528 1.00 0.00 C ATOM 599 O VAL A 40 4.803 -0.525 -13.639 1.00 0.00 O ATOM 600 CB VAL A 40 2.581 1.500 -12.534 1.00 0.00 C ATOM 601 CG1 VAL A 40 1.681 0.543 -11.750 1.00 0.00 C ATOM 602 CG2 VAL A 40 2.233 2.944 -12.166 1.00 0.00 C ATOM 0 H VAL A 40 4.454 2.331 -13.963 1.00 0.00 H new ATOM 0 HA VAL A 40 4.241 1.356 -11.119 1.00 0.00 H new ATOM 0 HB VAL A 40 2.428 1.351 -13.603 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.638 0.739 -11.999 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.929 -0.486 -12.011 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.834 0.693 -10.681 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.191 3.142 -12.416 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.385 3.094 -11.097 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.875 3.626 -12.723 1.00 0.00 H new ATOM 612 N HIS A 41 4.301 -1.115 -11.584 1.00 0.00 N ATOM 613 CA HIS A 41 4.648 -2.539 -11.859 1.00 0.00 C ATOM 614 C HIS A 41 3.429 -3.436 -11.631 1.00 0.00 C ATOM 615 O HIS A 41 2.415 -3.004 -11.117 1.00 0.00 O ATOM 616 CB HIS A 41 5.757 -2.875 -10.861 1.00 0.00 C ATOM 617 CG HIS A 41 6.852 -1.849 -10.964 1.00 0.00 C ATOM 618 ND1 HIS A 41 7.951 -2.021 -11.790 1.00 0.00 N ATOM 619 CD2 HIS A 41 7.029 -0.633 -10.350 1.00 0.00 C ATOM 620 CE1 HIS A 41 8.734 -0.936 -11.653 1.00 0.00 C ATOM 621 NE2 HIS A 41 8.219 -0.058 -10.787 1.00 0.00 N ATOM 0 H HIS A 41 3.983 -0.921 -10.634 1.00 0.00 H new ATOM 0 HA HIS A 41 4.966 -2.695 -12.890 1.00 0.00 H new ATOM 0 HB2 HIS A 41 5.356 -2.894 -9.848 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.155 -3.869 -11.065 1.00 0.00 H new ATOM 0 HD1 HIS A 41 8.133 -2.824 -12.392 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.349 -0.191 -9.637 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.666 -0.792 -12.179 1.00 0.00 H new ATOM 629 N GLY A 42 3.518 -4.682 -12.010 1.00 0.00 N ATOM 630 CA GLY A 42 2.364 -5.605 -11.816 1.00 0.00 C ATOM 631 C GLY A 42 2.082 -5.761 -10.320 1.00 0.00 C ATOM 632 O GLY A 42 0.971 -5.577 -9.865 1.00 0.00 O ATOM 0 H GLY A 42 4.340 -5.100 -12.446 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.483 -5.214 -12.324 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.583 -6.577 -12.259 1.00 0.00 H new ATOM 636 N ASN A 43 3.080 -6.102 -9.550 1.00 0.00 N ATOM 637 CA ASN A 43 2.867 -6.271 -8.084 1.00 0.00 C ATOM 638 C ASN A 43 4.056 -5.711 -7.303 1.00 0.00 C ATOM 639 O ASN A 43 4.828 -4.917 -7.806 1.00 0.00 O ATOM 640 CB ASN A 43 2.735 -7.779 -7.870 1.00 0.00 C ATOM 641 CG ASN A 43 3.852 -8.504 -8.616 1.00 0.00 C ATOM 642 OD1 ASN A 43 4.762 -7.884 -9.127 1.00 0.00 O ATOM 643 ND2 ASN A 43 3.819 -9.804 -8.700 1.00 0.00 N ATOM 0 H ASN A 43 4.033 -6.271 -9.873 1.00 0.00 H new ATOM 0 HA ASN A 43 1.985 -5.735 -7.733 1.00 0.00 H new ATOM 0 HB2 ASN A 43 2.785 -8.011 -6.806 1.00 0.00 H new ATOM 0 HB3 ASN A 43 1.764 -8.123 -8.226 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.558 -10.302 -9.196 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.054 -10.324 -8.270 1.00 0.00 H new ATOM 650 N THR A 44 4.196 -6.108 -6.073 1.00 0.00 N ATOM 651 CA THR A 44 5.322 -5.592 -5.240 1.00 0.00 C ATOM 652 C THR A 44 6.653 -6.198 -5.683 1.00 0.00 C ATOM 653 O THR A 44 7.626 -5.499 -5.885 1.00 0.00 O ATOM 654 CB THR A 44 4.989 -6.025 -3.810 1.00 0.00 C ATOM 655 OG1 THR A 44 3.880 -5.274 -3.337 1.00 0.00 O ATOM 656 CG2 THR A 44 6.198 -5.780 -2.906 1.00 0.00 C ATOM 0 H THR A 44 3.579 -6.770 -5.603 1.00 0.00 H new ATOM 0 HA THR A 44 5.428 -4.511 -5.331 1.00 0.00 H new ATOM 0 HB THR A 44 4.741 -7.086 -3.799 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.664 -5.551 -2.422 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.960 -6.089 -1.888 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.048 -6.357 -3.271 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.449 -4.719 -2.914 1.00 0.00 H new ATOM 664 N CYS A 45 6.709 -7.489 -5.831 1.00 0.00 N ATOM 665 CA CYS A 45 7.988 -8.126 -6.253 1.00 0.00 C ATOM 666 C CYS A 45 8.549 -7.411 -7.485 1.00 0.00 C ATOM 667 O CYS A 45 9.741 -7.207 -7.603 1.00 0.00 O ATOM 668 CB CYS A 45 7.639 -9.579 -6.575 1.00 0.00 C ATOM 669 SG CYS A 45 6.703 -9.657 -8.121 1.00 0.00 S ATOM 0 H CYS A 45 5.930 -8.130 -5.680 1.00 0.00 H new ATOM 0 HA CYS A 45 8.751 -8.067 -5.477 1.00 0.00 H new ATOM 0 HB2 CYS A 45 8.550 -10.171 -6.661 1.00 0.00 H new ATOM 0 HB3 CYS A 45 7.054 -10.011 -5.763 1.00 0.00 H new ATOM 674 N SER A 46 7.702 -7.010 -8.397 1.00 0.00 N ATOM 675 CA SER A 46 8.207 -6.292 -9.600 1.00 0.00 C ATOM 676 C SER A 46 8.926 -5.024 -9.147 1.00 0.00 C ATOM 677 O SER A 46 9.927 -4.625 -9.708 1.00 0.00 O ATOM 678 CB SER A 46 6.962 -5.950 -10.419 1.00 0.00 C ATOM 679 OG SER A 46 6.292 -7.147 -10.785 1.00 0.00 O ATOM 0 H SER A 46 6.692 -7.148 -8.360 1.00 0.00 H new ATOM 0 HA SER A 46 8.911 -6.882 -10.187 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.296 -5.311 -9.839 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.243 -5.391 -11.311 1.00 0.00 H new ATOM 0 HG SER A 46 5.736 -7.452 -10.038 1.00 0.00 H new ATOM 685 N MET A 47 8.431 -4.405 -8.113 1.00 0.00 N ATOM 686 CA MET A 47 9.092 -3.181 -7.590 1.00 0.00 C ATOM 687 C MET A 47 10.331 -3.594 -6.798 1.00 0.00 C ATOM 688 O MET A 47 11.228 -2.810 -6.561 1.00 0.00 O ATOM 689 CB MET A 47 8.052 -2.537 -6.673 1.00 0.00 C ATOM 690 CG MET A 47 7.951 -1.043 -6.983 1.00 0.00 C ATOM 691 SD MET A 47 7.447 -0.150 -5.491 1.00 0.00 S ATOM 692 CE MET A 47 8.867 -0.606 -4.464 1.00 0.00 C ATOM 0 H MET A 47 7.595 -4.696 -7.607 1.00 0.00 H new ATOM 0 HA MET A 47 9.413 -2.494 -8.373 1.00 0.00 H new ATOM 0 HB2 MET A 47 7.082 -3.014 -6.814 1.00 0.00 H new ATOM 0 HB3 MET A 47 8.331 -2.684 -5.630 1.00 0.00 H new ATOM 0 HG2 MET A 47 8.911 -0.668 -7.337 1.00 0.00 H new ATOM 0 HG3 MET A 47 7.229 -0.874 -7.782 1.00 0.00 H new ATOM 0 HE1 MET A 47 9.134 0.231 -3.819 1.00 0.00 H new ATOM 0 HE2 MET A 47 8.610 -1.469 -3.850 1.00 0.00 H new ATOM 0 HE3 MET A 47 9.714 -0.855 -5.104 1.00 0.00 H new ATOM 702 N CYS A 48 10.379 -4.835 -6.392 1.00 0.00 N ATOM 703 CA CYS A 48 11.549 -5.332 -5.616 1.00 0.00 C ATOM 704 C CYS A 48 12.577 -5.962 -6.562 1.00 0.00 C ATOM 705 O CYS A 48 13.753 -6.017 -6.262 1.00 0.00 O ATOM 706 CB CYS A 48 10.968 -6.380 -4.660 1.00 0.00 C ATOM 707 SG CYS A 48 10.213 -5.544 -3.242 1.00 0.00 S ATOM 0 H CYS A 48 9.652 -5.529 -6.567 1.00 0.00 H new ATOM 0 HA CYS A 48 12.065 -4.537 -5.078 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.225 -6.988 -5.176 1.00 0.00 H new ATOM 0 HB3 CYS A 48 11.754 -7.056 -4.322 1.00 0.00 H new ATOM 712 N GLU A 49 12.147 -6.429 -7.704 1.00 0.00 N ATOM 713 CA GLU A 49 13.111 -7.042 -8.662 1.00 0.00 C ATOM 714 C GLU A 49 14.031 -5.953 -9.224 1.00 0.00 C ATOM 715 O GLU A 49 15.239 -6.095 -9.242 1.00 0.00 O ATOM 716 CB GLU A 49 12.239 -7.680 -9.758 1.00 0.00 C ATOM 717 CG GLU A 49 11.984 -6.692 -10.903 1.00 0.00 C ATOM 718 CD GLU A 49 11.295 -7.419 -12.058 1.00 0.00 C ATOM 719 OE1 GLU A 49 11.056 -8.608 -11.927 1.00 0.00 O ATOM 720 OE2 GLU A 49 11.016 -6.774 -13.057 1.00 0.00 O ATOM 0 H GLU A 49 11.175 -6.413 -8.013 1.00 0.00 H new ATOM 0 HA GLU A 49 13.758 -7.789 -8.201 1.00 0.00 H new ATOM 0 HB2 GLU A 49 12.731 -8.572 -10.146 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.289 -8.000 -9.331 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.362 -5.868 -10.555 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.926 -6.260 -11.241 1.00 0.00 H new ATOM 727 N VAL A 50 13.471 -4.858 -9.661 1.00 0.00 N ATOM 728 CA VAL A 50 14.315 -3.756 -10.192 1.00 0.00 C ATOM 729 C VAL A 50 15.328 -3.365 -9.128 1.00 0.00 C ATOM 730 O VAL A 50 16.505 -3.212 -9.387 1.00 0.00 O ATOM 731 CB VAL A 50 13.349 -2.603 -10.443 1.00 0.00 C ATOM 732 CG1 VAL A 50 14.109 -1.422 -11.047 1.00 0.00 C ATOM 733 CG2 VAL A 50 12.255 -3.065 -11.400 1.00 0.00 C ATOM 0 H VAL A 50 12.467 -4.681 -9.672 1.00 0.00 H new ATOM 0 HA VAL A 50 14.857 -4.031 -11.097 1.00 0.00 H new ATOM 0 HB VAL A 50 12.896 -2.289 -9.503 1.00 0.00 H new ATOM 0 HG11 VAL A 50 13.418 -0.598 -11.226 1.00 0.00 H new ATOM 0 HG12 VAL A 50 14.888 -1.099 -10.356 1.00 0.00 H new ATOM 0 HG13 VAL A 50 14.564 -1.726 -11.990 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.561 -2.244 -11.583 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.704 -3.377 -12.343 1.00 0.00 H new ATOM 0 HG23 VAL A 50 11.716 -3.904 -10.959 1.00 0.00 H new ATOM 743 N PHE A 51 14.864 -3.221 -7.924 1.00 0.00 N ATOM 744 CA PHE A 51 15.779 -2.859 -6.812 1.00 0.00 C ATOM 745 C PHE A 51 16.826 -3.957 -6.656 1.00 0.00 C ATOM 746 O PHE A 51 18.012 -3.703 -6.578 1.00 0.00 O ATOM 747 CB PHE A 51 14.887 -2.785 -5.576 1.00 0.00 C ATOM 748 CG PHE A 51 15.746 -2.609 -4.351 1.00 0.00 C ATOM 749 CD1 PHE A 51 16.715 -1.600 -4.321 1.00 0.00 C ATOM 750 CD2 PHE A 51 15.575 -3.451 -3.248 1.00 0.00 C ATOM 751 CE1 PHE A 51 17.516 -1.434 -3.184 1.00 0.00 C ATOM 752 CE2 PHE A 51 16.374 -3.286 -2.111 1.00 0.00 C ATOM 753 CZ PHE A 51 17.345 -2.276 -2.079 1.00 0.00 C ATOM 0 H PHE A 51 13.886 -3.339 -7.660 1.00 0.00 H new ATOM 0 HA PHE A 51 16.307 -1.920 -6.980 1.00 0.00 H new ATOM 0 HB2 PHE A 51 14.189 -1.953 -5.667 1.00 0.00 H new ATOM 0 HB3 PHE A 51 14.291 -3.693 -5.489 1.00 0.00 H new ATOM 0 HD1 PHE A 51 16.845 -0.950 -5.174 1.00 0.00 H new ATOM 0 HD2 PHE A 51 14.826 -4.229 -3.273 1.00 0.00 H new ATOM 0 HE1 PHE A 51 18.265 -0.657 -3.160 1.00 0.00 H new ATOM 0 HE2 PHE A 51 16.242 -3.936 -1.259 1.00 0.00 H new ATOM 0 HZ PHE A 51 17.961 -2.147 -1.202 1.00 0.00 H new ATOM 763 N PHE A 52 16.387 -5.181 -6.627 1.00 0.00 N ATOM 764 CA PHE A 52 17.336 -6.318 -6.497 1.00 0.00 C ATOM 765 C PHE A 52 18.299 -6.326 -7.685 1.00 0.00 C ATOM 766 O PHE A 52 19.460 -6.659 -7.554 1.00 0.00 O ATOM 767 CB PHE A 52 16.449 -7.564 -6.513 1.00 0.00 C ATOM 768 CG PHE A 52 16.060 -7.917 -5.098 1.00 0.00 C ATOM 769 CD1 PHE A 52 17.019 -7.887 -4.079 1.00 0.00 C ATOM 770 CD2 PHE A 52 14.738 -8.268 -4.806 1.00 0.00 C ATOM 771 CE1 PHE A 52 16.655 -8.209 -2.767 1.00 0.00 C ATOM 772 CE2 PHE A 52 14.374 -8.591 -3.495 1.00 0.00 C ATOM 773 CZ PHE A 52 15.331 -8.561 -2.475 1.00 0.00 C ATOM 0 H PHE A 52 15.404 -5.445 -6.688 1.00 0.00 H new ATOM 0 HA PHE A 52 17.944 -6.261 -5.594 1.00 0.00 H new ATOM 0 HB2 PHE A 52 15.557 -7.382 -7.113 1.00 0.00 H new ATOM 0 HB3 PHE A 52 16.980 -8.396 -6.975 1.00 0.00 H new ATOM 0 HD1 PHE A 52 18.039 -7.615 -4.305 1.00 0.00 H new ATOM 0 HD2 PHE A 52 13.998 -8.290 -5.593 1.00 0.00 H new ATOM 0 HE1 PHE A 52 17.394 -8.186 -1.980 1.00 0.00 H new ATOM 0 HE2 PHE A 52 13.354 -8.864 -3.270 1.00 0.00 H new ATOM 0 HZ PHE A 52 15.049 -8.809 -1.462 1.00 0.00 H new ATOM 783 N GLN A 53 17.825 -5.955 -8.843 1.00 0.00 N ATOM 784 CA GLN A 53 18.714 -5.933 -10.037 1.00 0.00 C ATOM 785 C GLN A 53 19.833 -4.911 -9.833 1.00 0.00 C ATOM 786 O GLN A 53 21.001 -5.216 -9.968 1.00 0.00 O ATOM 787 CB GLN A 53 17.807 -5.509 -11.193 1.00 0.00 C ATOM 788 CG GLN A 53 18.493 -5.829 -12.523 1.00 0.00 C ATOM 789 CD GLN A 53 17.662 -5.259 -13.674 1.00 0.00 C ATOM 790 OE1 GLN A 53 17.127 -5.997 -14.478 1.00 0.00 O ATOM 791 NE2 GLN A 53 17.530 -3.965 -13.790 1.00 0.00 N ATOM 0 H GLN A 53 16.861 -5.667 -9.013 1.00 0.00 H new ATOM 0 HA GLN A 53 19.189 -6.897 -10.223 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.852 -6.030 -11.130 1.00 0.00 H new ATOM 0 HB3 GLN A 53 17.593 -4.442 -11.129 1.00 0.00 H new ATOM 0 HG2 GLN A 53 19.496 -5.403 -12.539 1.00 0.00 H new ATOM 0 HG3 GLN A 53 18.602 -6.907 -12.638 1.00 0.00 H new ATOM 0 HE21 GLN A 53 17.978 -3.344 -13.116 1.00 0.00 H new ATOM 0 HE22 GLN A 53 16.979 -3.575 -14.554 1.00 0.00 H new ATOM 800 N ALA A 54 19.482 -3.699 -9.501 1.00 0.00 N ATOM 801 CA ALA A 54 20.523 -2.654 -9.282 1.00 0.00 C ATOM 802 C ALA A 54 21.485 -3.094 -8.176 1.00 0.00 C ATOM 803 O ALA A 54 22.671 -2.833 -8.232 1.00 0.00 O ATOM 804 CB ALA A 54 19.748 -1.407 -8.853 1.00 0.00 C ATOM 0 H ALA A 54 18.520 -3.387 -9.372 1.00 0.00 H new ATOM 0 HA ALA A 54 21.123 -2.474 -10.174 1.00 0.00 H new ATOM 0 HB1 ALA A 54 20.446 -0.589 -8.672 1.00 0.00 H new ATOM 0 HB2 ALA A 54 19.052 -1.122 -9.642 1.00 0.00 H new ATOM 0 HB3 ALA A 54 19.193 -1.620 -7.939 1.00 0.00 H new ATOM 810 N GLU A 55 20.986 -3.762 -7.172 1.00 0.00 N ATOM 811 CA GLU A 55 21.876 -4.219 -6.066 1.00 0.00 C ATOM 812 C GLU A 55 22.797 -5.337 -6.560 1.00 0.00 C ATOM 813 O GLU A 55 23.870 -5.550 -6.032 1.00 0.00 O ATOM 814 CB GLU A 55 20.930 -4.742 -4.985 1.00 0.00 C ATOM 815 CG GLU A 55 20.087 -3.585 -4.442 1.00 0.00 C ATOM 816 CD GLU A 55 20.987 -2.617 -3.672 1.00 0.00 C ATOM 817 OE1 GLU A 55 22.102 -2.999 -3.356 1.00 0.00 O ATOM 818 OE2 GLU A 55 20.546 -1.510 -3.411 1.00 0.00 O ATOM 0 H GLU A 55 20.002 -4.011 -7.069 1.00 0.00 H new ATOM 0 HA GLU A 55 22.516 -3.420 -5.693 1.00 0.00 H new ATOM 0 HB2 GLU A 55 20.282 -5.516 -5.397 1.00 0.00 H new ATOM 0 HB3 GLU A 55 21.501 -5.200 -4.178 1.00 0.00 H new ATOM 0 HG2 GLU A 55 19.593 -3.065 -5.262 1.00 0.00 H new ATOM 0 HG3 GLU A 55 19.303 -3.967 -3.789 1.00 0.00 H new ATOM 825 N GLU A 56 22.387 -6.050 -7.573 1.00 0.00 N ATOM 826 CA GLU A 56 23.239 -7.153 -8.103 1.00 0.00 C ATOM 827 C GLU A 56 24.615 -6.610 -8.498 1.00 0.00 C ATOM 828 O GLU A 56 25.615 -7.293 -8.395 1.00 0.00 O ATOM 829 CB GLU A 56 22.493 -7.673 -9.333 1.00 0.00 C ATOM 830 CG GLU A 56 23.121 -8.990 -9.792 1.00 0.00 C ATOM 831 CD GLU A 56 22.362 -9.519 -11.010 1.00 0.00 C ATOM 832 OE1 GLU A 56 21.376 -8.905 -11.381 1.00 0.00 O ATOM 833 OE2 GLU A 56 22.781 -10.529 -11.551 1.00 0.00 O ATOM 0 H GLU A 56 21.499 -5.917 -8.057 1.00 0.00 H new ATOM 0 HA GLU A 56 23.406 -7.939 -7.367 1.00 0.00 H new ATOM 0 HB2 GLU A 56 21.440 -7.823 -9.096 1.00 0.00 H new ATOM 0 HB3 GLU A 56 22.537 -6.937 -10.136 1.00 0.00 H new ATOM 0 HG2 GLU A 56 24.171 -8.837 -10.042 1.00 0.00 H new ATOM 0 HG3 GLU A 56 23.089 -9.721 -8.984 1.00 0.00 H new ATOM 840 N GLU A 57 24.673 -5.387 -8.950 1.00 0.00 N ATOM 841 CA GLU A 57 25.984 -4.801 -9.350 1.00 0.00 C ATOM 842 C GLU A 57 26.856 -4.565 -8.114 1.00 0.00 C ATOM 843 O GLU A 57 28.048 -4.798 -8.129 1.00 0.00 O ATOM 844 CB GLU A 57 25.635 -3.473 -10.022 1.00 0.00 C ATOM 845 CG GLU A 57 24.666 -3.724 -11.179 1.00 0.00 C ATOM 846 CD GLU A 57 25.368 -4.544 -12.263 1.00 0.00 C ATOM 847 OE1 GLU A 57 26.579 -4.674 -12.190 1.00 0.00 O ATOM 848 OE2 GLU A 57 24.681 -5.029 -13.148 1.00 0.00 O ATOM 0 H GLU A 57 23.869 -4.768 -9.060 1.00 0.00 H new ATOM 0 HA GLU A 57 26.546 -5.458 -10.014 1.00 0.00 H new ATOM 0 HB2 GLU A 57 25.185 -2.794 -9.298 1.00 0.00 H new ATOM 0 HB3 GLU A 57 26.541 -2.991 -10.390 1.00 0.00 H new ATOM 0 HG2 GLU A 57 23.784 -4.255 -10.820 1.00 0.00 H new ATOM 0 HG3 GLU A 57 24.321 -2.776 -11.591 1.00 0.00 H new ATOM 855 N GLU A 58 26.269 -4.106 -7.042 1.00 0.00 N ATOM 856 CA GLU A 58 27.063 -3.856 -5.806 1.00 0.00 C ATOM 857 C GLU A 58 27.856 -5.109 -5.426 1.00 0.00 C ATOM 858 O GLU A 58 28.922 -5.029 -4.847 1.00 0.00 O ATOM 859 CB GLU A 58 26.029 -3.528 -4.729 1.00 0.00 C ATOM 860 CG GLU A 58 26.737 -3.305 -3.392 1.00 0.00 C ATOM 861 CD GLU A 58 25.699 -3.220 -2.272 1.00 0.00 C ATOM 862 OE1 GLU A 58 24.531 -3.428 -2.556 1.00 0.00 O ATOM 863 OE2 GLU A 58 26.090 -2.947 -1.148 1.00 0.00 O ATOM 0 H GLU A 58 25.274 -3.893 -6.969 1.00 0.00 H new ATOM 0 HA GLU A 58 27.785 -3.050 -5.935 1.00 0.00 H new ATOM 0 HB2 GLU A 58 25.468 -2.636 -5.008 1.00 0.00 H new ATOM 0 HB3 GLU A 58 25.310 -4.342 -4.640 1.00 0.00 H new ATOM 0 HG2 GLU A 58 27.432 -4.121 -3.196 1.00 0.00 H new ATOM 0 HG3 GLU A 58 27.324 -2.387 -3.428 1.00 0.00 H new ATOM 870 N LYS A 59 27.346 -6.266 -5.748 1.00 0.00 N ATOM 871 CA LYS A 59 28.072 -7.522 -5.406 1.00 0.00 C ATOM 872 C LYS A 59 29.236 -7.740 -6.376 1.00 0.00 C ATOM 873 O LYS A 59 30.093 -8.573 -6.157 1.00 0.00 O ATOM 874 CB LYS A 59 27.033 -8.634 -5.556 1.00 0.00 C ATOM 875 CG LYS A 59 25.880 -8.390 -4.581 1.00 0.00 C ATOM 876 CD LYS A 59 24.852 -9.515 -4.714 1.00 0.00 C ATOM 877 CE LYS A 59 23.664 -9.235 -3.793 1.00 0.00 C ATOM 878 NZ LYS A 59 23.236 -7.849 -4.134 1.00 0.00 N ATOM 0 H LYS A 59 26.458 -6.396 -6.233 1.00 0.00 H new ATOM 0 HA LYS A 59 28.496 -7.494 -4.402 1.00 0.00 H new ATOM 0 HB2 LYS A 59 26.658 -8.661 -6.579 1.00 0.00 H new ATOM 0 HB3 LYS A 59 27.491 -9.603 -5.359 1.00 0.00 H new ATOM 0 HG2 LYS A 59 26.257 -8.346 -3.559 1.00 0.00 H new ATOM 0 HG3 LYS A 59 25.411 -7.428 -4.789 1.00 0.00 H new ATOM 0 HD2 LYS A 59 24.514 -9.592 -5.747 1.00 0.00 H new ATOM 0 HD3 LYS A 59 25.308 -10.471 -4.456 1.00 0.00 H new ATOM 0 HE2 LYS A 59 22.858 -9.950 -3.959 1.00 0.00 H new ATOM 0 HE3 LYS A 59 23.950 -9.314 -2.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 22.236 -7.721 -3.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 23.818 -7.167 -3.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 23.355 -7.690 -5.155 1.00 0.00 H new ATOM 892 N LYS A 60 29.272 -6.998 -7.448 1.00 0.00 N ATOM 893 CA LYS A 60 30.380 -7.162 -8.433 1.00 0.00 C ATOM 894 C LYS A 60 31.732 -7.149 -7.714 1.00 0.00 C ATOM 895 O LYS A 60 32.628 -7.901 -8.043 1.00 0.00 O ATOM 896 CB LYS A 60 30.259 -5.961 -9.370 1.00 0.00 C ATOM 897 CG LYS A 60 30.678 -4.691 -8.628 1.00 0.00 C ATOM 898 CD LYS A 60 30.358 -3.468 -9.489 1.00 0.00 C ATOM 899 CE LYS A 60 31.083 -2.243 -8.925 1.00 0.00 C ATOM 900 NZ LYS A 60 31.781 -1.641 -10.095 1.00 0.00 N ATOM 0 H LYS A 60 28.582 -6.285 -7.685 1.00 0.00 H new ATOM 0 HA LYS A 60 30.316 -8.107 -8.973 1.00 0.00 H new ATOM 0 HB2 LYS A 60 30.888 -6.106 -10.248 1.00 0.00 H new ATOM 0 HB3 LYS A 60 29.233 -5.866 -9.726 1.00 0.00 H new ATOM 0 HG2 LYS A 60 30.154 -4.625 -7.674 1.00 0.00 H new ATOM 0 HG3 LYS A 60 31.744 -4.723 -8.404 1.00 0.00 H new ATOM 0 HD2 LYS A 60 30.667 -3.644 -10.519 1.00 0.00 H new ATOM 0 HD3 LYS A 60 29.282 -3.292 -9.504 1.00 0.00 H new ATOM 0 HE2 LYS A 60 30.381 -1.539 -8.478 1.00 0.00 H new ATOM 0 HE3 LYS A 60 31.790 -2.526 -8.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 32.302 -0.794 -9.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 32.447 -2.332 -10.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 31.082 -1.376 -10.818 1.00 0.00 H new ATOM 914 N LYS A 61 31.886 -6.301 -6.735 1.00 0.00 N ATOM 915 CA LYS A 61 33.180 -6.240 -5.997 1.00 0.00 C ATOM 916 C LYS A 61 33.356 -7.494 -5.135 1.00 0.00 C ATOM 917 O LYS A 61 32.404 -8.039 -4.615 1.00 0.00 O ATOM 918 CB LYS A 61 33.076 -4.994 -5.116 1.00 0.00 C ATOM 919 CG LYS A 61 32.955 -3.753 -6.002 1.00 0.00 C ATOM 920 CD LYS A 61 32.990 -2.498 -5.127 1.00 0.00 C ATOM 921 CE LYS A 61 32.801 -1.259 -6.004 1.00 0.00 C ATOM 922 NZ LYS A 61 33.463 -0.155 -5.254 1.00 0.00 N ATOM 0 H LYS A 61 31.172 -5.647 -6.414 1.00 0.00 H new ATOM 0 HA LYS A 61 34.037 -6.193 -6.669 1.00 0.00 H new ATOM 0 HB2 LYS A 61 32.210 -5.071 -4.459 1.00 0.00 H new ATOM 0 HB3 LYS A 61 33.955 -4.913 -4.476 1.00 0.00 H new ATOM 0 HG2 LYS A 61 33.770 -3.728 -6.725 1.00 0.00 H new ATOM 0 HG3 LYS A 61 32.026 -3.788 -6.570 1.00 0.00 H new ATOM 0 HD2 LYS A 61 32.205 -2.546 -4.373 1.00 0.00 H new ATOM 0 HD3 LYS A 61 33.940 -2.439 -4.595 1.00 0.00 H new ATOM 0 HE2 LYS A 61 33.254 -1.397 -6.986 1.00 0.00 H new ATOM 0 HE3 LYS A 61 31.744 -1.048 -6.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 33.376 0.731 -5.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 33.006 -0.043 -4.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 34.469 -0.381 -5.120 1.00 0.00 H new ATOM 936 N LYS A 62 34.568 -7.952 -4.980 1.00 0.00 N ATOM 937 CA LYS A 62 34.803 -9.170 -4.151 1.00 0.00 C ATOM 938 C LYS A 62 35.844 -8.878 -3.067 1.00 0.00 C ATOM 939 O LYS A 62 36.904 -8.349 -3.337 1.00 0.00 O ATOM 940 CB LYS A 62 35.329 -10.220 -5.130 1.00 0.00 C ATOM 941 CG LYS A 62 35.568 -11.536 -4.387 1.00 0.00 C ATOM 942 CD LYS A 62 36.147 -12.570 -5.353 1.00 0.00 C ATOM 943 CE LYS A 62 36.394 -13.883 -4.607 1.00 0.00 C ATOM 944 NZ LYS A 62 37.631 -13.644 -3.812 1.00 0.00 N ATOM 0 H LYS A 62 35.405 -7.537 -5.390 1.00 0.00 H new ATOM 0 HA LYS A 62 33.899 -9.504 -3.642 1.00 0.00 H new ATOM 0 HB2 LYS A 62 34.613 -10.371 -5.938 1.00 0.00 H new ATOM 0 HB3 LYS A 62 36.256 -9.874 -5.587 1.00 0.00 H new ATOM 0 HG2 LYS A 62 36.254 -11.377 -3.555 1.00 0.00 H new ATOM 0 HG3 LYS A 62 34.633 -11.902 -3.964 1.00 0.00 H new ATOM 0 HD2 LYS A 62 35.459 -12.734 -6.182 1.00 0.00 H new ATOM 0 HD3 LYS A 62 37.079 -12.202 -5.781 1.00 0.00 H new ATOM 0 HE2 LYS A 62 35.552 -14.136 -3.962 1.00 0.00 H new ATOM 0 HE3 LYS A 62 36.524 -14.713 -5.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 38.380 -14.290 -4.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 37.943 -12.661 -3.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 37.435 -13.814 -2.805 1.00 0.00 H new ATOM 958 N GLU A 63 35.549 -9.218 -1.842 1.00 0.00 N ATOM 959 CA GLU A 63 36.521 -8.959 -0.742 1.00 0.00 C ATOM 960 C GLU A 63 37.824 -9.724 -0.996 1.00 0.00 C ATOM 961 O GLU A 63 37.816 -10.834 -1.491 1.00 0.00 O ATOM 962 CB GLU A 63 35.835 -9.474 0.524 1.00 0.00 C ATOM 963 CG GLU A 63 34.543 -8.690 0.758 1.00 0.00 C ATOM 964 CD GLU A 63 33.883 -9.168 2.052 1.00 0.00 C ATOM 965 OE1 GLU A 63 34.333 -10.167 2.589 1.00 0.00 O ATOM 966 OE2 GLU A 63 32.939 -8.529 2.485 1.00 0.00 O ATOM 0 H GLU A 63 34.677 -9.664 -1.555 1.00 0.00 H new ATOM 0 HA GLU A 63 36.782 -7.904 -0.663 1.00 0.00 H new ATOM 0 HB2 GLU A 63 35.615 -10.537 0.425 1.00 0.00 H new ATOM 0 HB3 GLU A 63 36.500 -9.365 1.381 1.00 0.00 H new ATOM 0 HG2 GLU A 63 34.759 -7.623 0.820 1.00 0.00 H new ATOM 0 HG3 GLU A 63 33.863 -8.830 -0.083 1.00 0.00 H new ATOM 973 N GLY A 64 38.941 -9.140 -0.660 1.00 0.00 N ATOM 974 CA GLY A 64 40.241 -9.833 -0.883 1.00 0.00 C ATOM 975 C GLY A 64 40.475 -10.850 0.237 1.00 0.00 C ATOM 976 O GLY A 64 39.980 -10.700 1.338 1.00 0.00 O ATOM 0 H GLY A 64 39.010 -8.213 -0.241 1.00 0.00 H new ATOM 0 HA2 GLY A 64 40.236 -10.336 -1.850 1.00 0.00 H new ATOM 0 HA3 GLY A 64 41.054 -9.107 -0.905 1.00 0.00 H new ATOM 980 N GLU A 65 41.225 -11.883 -0.032 1.00 0.00 N ATOM 981 CA GLU A 65 41.490 -12.907 1.019 1.00 0.00 C ATOM 982 C GLU A 65 42.357 -12.312 2.130 1.00 0.00 C ATOM 983 O GLU A 65 42.384 -12.805 3.241 1.00 0.00 O ATOM 984 CB GLU A 65 42.236 -14.030 0.297 1.00 0.00 C ATOM 985 CG GLU A 65 41.307 -14.683 -0.727 1.00 0.00 C ATOM 986 CD GLU A 65 42.035 -15.846 -1.407 1.00 0.00 C ATOM 987 OE1 GLU A 65 43.219 -16.000 -1.164 1.00 0.00 O ATOM 988 OE2 GLU A 65 41.394 -16.562 -2.159 1.00 0.00 O ATOM 0 H GLU A 65 41.666 -12.063 -0.934 1.00 0.00 H new ATOM 0 HA GLU A 65 40.574 -13.264 1.490 1.00 0.00 H new ATOM 0 HB2 GLU A 65 43.121 -13.632 -0.200 1.00 0.00 H new ATOM 0 HB3 GLU A 65 42.581 -14.773 1.016 1.00 0.00 H new ATOM 0 HG2 GLU A 65 40.403 -15.043 -0.236 1.00 0.00 H new ATOM 0 HG3 GLU A 65 40.996 -13.950 -1.471 1.00 0.00 H new ATOM 995 N SER A 66 43.069 -11.257 1.841 1.00 0.00 N ATOM 996 CA SER A 66 43.933 -10.632 2.883 1.00 0.00 C ATOM 997 C SER A 66 43.071 -9.902 3.917 1.00 0.00 C ATOM 998 O SER A 66 43.501 -9.637 5.021 1.00 0.00 O ATOM 999 CB SER A 66 44.814 -9.640 2.124 1.00 0.00 C ATOM 1000 OG SER A 66 44.009 -8.592 1.604 1.00 0.00 O ATOM 0 H SER A 66 43.090 -10.801 0.929 1.00 0.00 H new ATOM 0 HA SER A 66 44.524 -11.370 3.426 1.00 0.00 H new ATOM 0 HB2 SER A 66 45.576 -9.232 2.788 1.00 0.00 H new ATOM 0 HB3 SER A 66 45.337 -10.148 1.313 1.00 0.00 H new ATOM 0 HG SER A 66 44.574 -7.955 1.119 1.00 0.00 H new ATOM 1006 N ARG A 67 41.857 -9.576 3.566 1.00 0.00 N ATOM 1007 CA ARG A 67 40.969 -8.865 4.529 1.00 0.00 C ATOM 1008 C ARG A 67 39.576 -9.501 4.533 1.00 0.00 C ATOM 1009 O ARG A 67 39.054 -9.881 3.504 1.00 0.00 O ATOM 1010 CB ARG A 67 40.899 -7.426 4.017 1.00 0.00 C ATOM 1011 CG ARG A 67 40.050 -6.585 4.971 1.00 0.00 C ATOM 1012 CD ARG A 67 40.086 -5.121 4.529 1.00 0.00 C ATOM 1013 NE ARG A 67 39.391 -5.102 3.212 1.00 0.00 N ATOM 1014 CZ ARG A 67 40.047 -4.775 2.132 1.00 0.00 C ATOM 1015 NH1 ARG A 67 40.296 -5.676 1.222 1.00 0.00 N ATOM 1016 NH2 ARG A 67 40.453 -3.546 1.964 1.00 0.00 N ATOM 0 H ARG A 67 41.442 -9.771 2.655 1.00 0.00 H new ATOM 0 HA ARG A 67 41.345 -8.916 5.551 1.00 0.00 H new ATOM 0 HB2 ARG A 67 41.902 -7.007 3.941 1.00 0.00 H new ATOM 0 HB3 ARG A 67 40.468 -7.406 3.016 1.00 0.00 H new ATOM 0 HG2 ARG A 67 39.023 -6.949 4.978 1.00 0.00 H new ATOM 0 HG3 ARG A 67 40.428 -6.678 5.989 1.00 0.00 H new ATOM 0 HD2 ARG A 67 39.583 -4.478 5.251 1.00 0.00 H new ATOM 0 HD3 ARG A 67 41.111 -4.760 4.440 1.00 0.00 H new ATOM 0 HE ARG A 67 38.402 -5.345 3.154 1.00 0.00 H new ATOM 0 HH11 ARG A 67 39.978 -6.636 1.354 1.00 0.00 H new ATOM 0 HH12 ARG A 67 40.809 -5.420 0.378 1.00 0.00 H new ATOM 0 HH21 ARG A 67 40.258 -2.842 2.676 1.00 0.00 H new ATOM 0 HH22 ARG A 67 40.966 -3.289 1.121 1.00 0.00 H new ATOM 1030 N ASN A 68 38.971 -9.621 5.683 1.00 0.00 N ATOM 1031 CA ASN A 68 37.612 -10.233 5.750 1.00 0.00 C ATOM 1032 C ASN A 68 36.549 -9.209 5.339 1.00 0.00 C ATOM 1033 O ASN A 68 36.879 -8.036 5.277 1.00 0.00 O ATOM 1034 CB ASN A 68 37.431 -10.636 7.214 1.00 0.00 C ATOM 1035 CG ASN A 68 36.234 -11.582 7.338 1.00 0.00 C ATOM 1036 OD1 ASN A 68 35.514 -11.796 6.384 1.00 0.00 O ATOM 1037 ND2 ASN A 68 35.991 -12.159 8.482 1.00 0.00 N ATOM 1038 OXT ASN A 68 35.426 -9.617 5.095 1.00 0.00 O ATOM 0 H ASN A 68 39.358 -9.322 6.578 1.00 0.00 H new ATOM 0 HA ASN A 68 37.509 -11.084 5.077 1.00 0.00 H new ATOM 0 HB2 ASN A 68 38.333 -11.124 7.582 1.00 0.00 H new ATOM 0 HB3 ASN A 68 37.274 -9.750 7.829 1.00 0.00 H new ATOM 0 HD21 ASN A 68 35.196 -12.791 8.576 1.00 0.00 H new ATOM 0 HD22 ASN A 68 36.596 -11.979 9.283 1.00 0.00 H new TER 1045 ASN A 68