USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 512 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 65 SER OG : rot -164:sc= 1.16 USER MOD Set 1.2: A 67 SER OG : rot -179:sc= 1.07 USER MOD Set 2.1: A 29 GLN : amide:sc= 2.4 K(o=4.1,f=-4.8!) USER MOD Set 2.2: A 60 ASN : amide:sc= 0.412 K(o=4.1,f=-2.4!) USER MOD Set 2.3: A 68 LYS NZ :NH3+ 170:sc= 1.27 (180deg=0.373) USER MOD Set 3.1: A 41 GLN : amide:sc= 0.94 K(o=2.2,f=-0.55) USER MOD Set 3.2: A 42 TYR OH : rot 141:sc= 1.23 USER MOD Set 4.1: A 8 GLN : amide:sc= 0.599 X(o=0.63,f=0.14) USER MOD Set 4.2: A 12 CYS SG : rot 180:sc= 0.035 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -127:sc= 0.0999 (180deg=-0.289) USER MOD Single : A 3 GLN : amide:sc= -0.47 K(o=-0.47,f=-2.6!) USER MOD Single : A 4 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.012) USER MOD Single : A 9 LYS NZ :NH3+ 162:sc= 0.274 (180deg=0.154) USER MOD Single : A 10 GLN : amide:sc= -0.436 X(o=-0.44,f=-0.86) USER MOD Single : A 15 GLN : amide:sc= -0.425 K(o=-0.43,f=-1) USER MOD Single : A 16 LYS NZ :NH3+ -175:sc= 0.762 (180deg=0.749) USER MOD Single : A 19 GLN : amide:sc= -2.01! X(o=-2!,f=-1.9) USER MOD Single : A 21 ASN : amide:sc= 1.08 K(o=1.1,f=-0.051) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc=-0.00584 USER MOD Single : A 24 MET CE :methyl 167:sc= -0.0676 (180deg=-0.217) USER MOD Single : A 26 SER OG : rot 180:sc= 0.0481 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0.481 K(o=0.48,f=-7.5!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 125:sc= 1.25 USER MOD Single : A 51 SER OG : rot 92:sc= 1.29 USER MOD Single : A 55 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.018) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00539) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.472 18.566 -3.009 1.00 0.00 N ATOM 2 CA MET A 1 5.611 17.770 -1.798 1.00 0.00 C ATOM 3 C MET A 1 7.107 17.577 -1.499 1.00 0.00 C ATOM 4 O MET A 1 7.922 17.711 -2.419 1.00 0.00 O ATOM 5 CB MET A 1 4.923 16.408 -2.000 1.00 0.00 C ATOM 6 CG MET A 1 3.401 16.531 -2.099 1.00 0.00 C ATOM 7 SD MET A 1 2.581 17.022 -0.555 1.00 0.00 S ATOM 8 CE MET A 1 0.857 16.984 -1.109 1.00 0.00 C ATOM 0 H1 MET A 1 4.850 19.378 -2.821 1.00 0.00 H new ATOM 0 H2 MET A 1 6.407 18.908 -3.309 1.00 0.00 H new ATOM 0 H3 MET A 1 5.059 17.981 -3.763 1.00 0.00 H new ATOM 0 HA MET A 1 5.140 18.278 -0.956 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.307 15.941 -2.907 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.178 15.749 -1.170 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.158 17.260 -2.872 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.993 15.574 -2.424 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.203 17.262 -0.282 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.723 17.688 -1.930 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.606 15.979 -1.449 1.00 0.00 H new ATOM 20 N PRO A 2 7.489 17.250 -0.249 1.00 0.00 N ATOM 21 CA PRO A 2 8.852 16.860 0.078 1.00 0.00 C ATOM 22 C PRO A 2 9.155 15.465 -0.490 1.00 0.00 C ATOM 23 O PRO A 2 8.361 14.527 -0.373 1.00 0.00 O ATOM 24 CB PRO A 2 8.955 16.933 1.602 1.00 0.00 C ATOM 25 CG PRO A 2 7.518 16.732 2.079 1.00 0.00 C ATOM 26 CD PRO A 2 6.656 17.285 0.945 1.00 0.00 C ATOM 0 HA PRO A 2 9.598 17.517 -0.368 1.00 0.00 H new ATOM 0 HB2 PRO A 2 9.618 16.162 1.995 1.00 0.00 H new ATOM 0 HB3 PRO A 2 9.354 17.893 1.930 1.00 0.00 H new ATOM 0 HG2 PRO A 2 7.305 15.679 2.262 1.00 0.00 H new ATOM 0 HG3 PRO A 2 7.332 17.262 3.013 1.00 0.00 H new ATOM 0 HD2 PRO A 2 5.757 16.684 0.810 1.00 0.00 H new ATOM 0 HD3 PRO A 2 6.330 18.302 1.163 1.00 0.00 H new ATOM 34 N GLN A 3 10.336 15.350 -1.102 1.00 0.00 N ATOM 35 CA GLN A 3 10.783 14.231 -1.933 1.00 0.00 C ATOM 36 C GLN A 3 10.948 12.929 -1.150 1.00 0.00 C ATOM 37 O GLN A 3 10.821 11.853 -1.734 1.00 0.00 O ATOM 38 CB GLN A 3 12.118 14.608 -2.609 1.00 0.00 C ATOM 39 CG GLN A 3 11.985 15.612 -3.769 1.00 0.00 C ATOM 40 CD GLN A 3 11.191 16.861 -3.391 1.00 0.00 C ATOM 41 OE1 GLN A 3 11.516 17.540 -2.421 1.00 0.00 O ATOM 42 NE2 GLN A 3 10.068 17.101 -4.050 1.00 0.00 N ATOM 0 H GLN A 3 11.047 16.078 -1.026 1.00 0.00 H new ATOM 0 HA GLN A 3 10.008 14.049 -2.678 1.00 0.00 H new ATOM 0 HB2 GLN A 3 12.786 15.028 -1.857 1.00 0.00 H new ATOM 0 HB3 GLN A 3 12.590 13.700 -2.984 1.00 0.00 H new ATOM 0 HG2 GLN A 3 12.980 15.908 -4.102 1.00 0.00 H new ATOM 0 HG3 GLN A 3 11.500 15.121 -4.613 1.00 0.00 H new ATOM 0 HE21 GLN A 3 9.815 16.526 -4.854 1.00 0.00 H new ATOM 0 HE22 GLN A 3 9.456 17.861 -3.754 1.00 0.00 H new ATOM 51 N LYS A 4 11.221 13.009 0.158 1.00 0.00 N ATOM 52 CA LYS A 4 11.217 11.850 1.031 1.00 0.00 C ATOM 53 C LYS A 4 9.805 11.282 1.038 1.00 0.00 C ATOM 54 O LYS A 4 8.880 11.900 1.558 1.00 0.00 O ATOM 55 CB LYS A 4 11.689 12.215 2.437 1.00 0.00 C ATOM 56 CG LYS A 4 11.916 10.973 3.323 1.00 0.00 C ATOM 57 CD LYS A 4 11.115 11.004 4.631 1.00 0.00 C ATOM 58 CE LYS A 4 9.625 10.728 4.402 1.00 0.00 C ATOM 59 NZ LYS A 4 8.892 10.618 5.675 1.00 0.00 N ATOM 0 H LYS A 4 11.450 13.883 0.632 1.00 0.00 H new ATOM 0 HA LYS A 4 11.915 11.097 0.665 1.00 0.00 H new ATOM 0 HB2 LYS A 4 12.616 12.784 2.370 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.951 12.864 2.908 1.00 0.00 H new ATOM 0 HG2 LYS A 4 11.645 10.080 2.760 1.00 0.00 H new ATOM 0 HG3 LYS A 4 12.977 10.892 3.557 1.00 0.00 H new ATOM 0 HD2 LYS A 4 11.519 10.262 5.320 1.00 0.00 H new ATOM 0 HD3 LYS A 4 11.234 11.978 5.105 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.194 11.529 3.801 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.508 9.805 3.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.910 10.331 5.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 9.351 9.907 6.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 8.897 11.538 6.159 1.00 0.00 H new ATOM 73 N ASP A 5 9.653 10.118 0.425 1.00 0.00 N ATOM 74 CA ASP A 5 8.387 9.473 0.146 1.00 0.00 C ATOM 75 C ASP A 5 8.082 8.497 1.295 1.00 0.00 C ATOM 76 O ASP A 5 8.699 7.432 1.337 1.00 0.00 O ATOM 77 CB ASP A 5 8.457 8.820 -1.246 1.00 0.00 C ATOM 78 CG ASP A 5 7.124 8.229 -1.689 1.00 0.00 C ATOM 79 OD1 ASP A 5 6.463 7.540 -0.875 1.00 0.00 O ATOM 80 OD2 ASP A 5 6.735 8.487 -2.847 1.00 0.00 O ATOM 0 H ASP A 5 10.450 9.574 0.094 1.00 0.00 H new ATOM 0 HA ASP A 5 7.557 10.178 0.105 1.00 0.00 H new ATOM 0 HB2 ASP A 5 8.780 9.563 -1.975 1.00 0.00 H new ATOM 0 HB3 ASP A 5 9.212 8.034 -1.236 1.00 0.00 H new ATOM 85 N PRO A 6 7.171 8.826 2.241 1.00 0.00 N ATOM 86 CA PRO A 6 6.960 8.062 3.480 1.00 0.00 C ATOM 87 C PRO A 6 6.619 6.597 3.218 1.00 0.00 C ATOM 88 O PRO A 6 6.971 5.695 3.983 1.00 0.00 O ATOM 89 CB PRO A 6 5.776 8.727 4.190 1.00 0.00 C ATOM 90 CG PRO A 6 5.691 10.115 3.570 1.00 0.00 C ATOM 91 CD PRO A 6 6.158 9.864 2.143 1.00 0.00 C ATOM 0 HA PRO A 6 7.876 8.069 4.071 1.00 0.00 H new ATOM 0 HB2 PRO A 6 4.854 8.166 4.035 1.00 0.00 H new ATOM 0 HB3 PRO A 6 5.939 8.782 5.266 1.00 0.00 H new ATOM 0 HG2 PRO A 6 4.677 10.513 3.602 1.00 0.00 H new ATOM 0 HG3 PRO A 6 6.330 10.831 4.087 1.00 0.00 H new ATOM 0 HD2 PRO A 6 5.330 9.545 1.510 1.00 0.00 H new ATOM 0 HD3 PRO A 6 6.568 10.771 1.699 1.00 0.00 H new ATOM 99 N CYS A 7 5.890 6.386 2.123 1.00 0.00 N ATOM 100 CA CYS A 7 5.268 5.141 1.772 1.00 0.00 C ATOM 101 C CYS A 7 6.123 4.293 0.850 1.00 0.00 C ATOM 102 O CYS A 7 5.854 3.103 0.708 1.00 0.00 O ATOM 103 CB CYS A 7 3.902 5.464 1.167 1.00 0.00 C ATOM 104 SG CYS A 7 2.671 6.053 2.375 1.00 0.00 S ATOM 0 H CYS A 7 5.718 7.120 1.436 1.00 0.00 H new ATOM 0 HA CYS A 7 5.146 4.529 2.666 1.00 0.00 H new ATOM 0 HB2 CYS A 7 4.029 6.223 0.395 1.00 0.00 H new ATOM 0 HB3 CYS A 7 3.514 4.572 0.676 1.00 0.00 H new ATOM 106 N GLN A 8 7.180 4.856 0.261 1.00 0.00 N ATOM 107 CA GLN A 8 8.064 4.124 -0.621 1.00 0.00 C ATOM 108 C GLN A 8 8.765 2.980 0.133 1.00 0.00 C ATOM 109 O GLN A 8 9.083 1.956 -0.472 1.00 0.00 O ATOM 110 CB GLN A 8 8.996 5.153 -1.263 1.00 0.00 C ATOM 111 CG GLN A 8 10.125 4.547 -2.078 1.00 0.00 C ATOM 112 CD GLN A 8 9.644 3.760 -3.297 1.00 0.00 C ATOM 113 OE1 GLN A 8 9.347 4.331 -4.337 1.00 0.00 O ATOM 114 NE2 GLN A 8 9.545 2.442 -3.186 1.00 0.00 N ATOM 0 H GLN A 8 7.439 5.834 0.388 1.00 0.00 H new ATOM 0 HA GLN A 8 7.529 3.612 -1.421 1.00 0.00 H new ATOM 0 HB2 GLN A 8 8.408 5.807 -1.907 1.00 0.00 H new ATOM 0 HB3 GLN A 8 9.424 5.778 -0.479 1.00 0.00 H new ATOM 0 HG2 GLN A 8 10.791 5.344 -2.410 1.00 0.00 H new ATOM 0 HG3 GLN A 8 10.711 3.887 -1.438 1.00 0.00 H new ATOM 0 HE21 GLN A 8 9.797 1.984 -2.310 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.217 1.887 -3.976 1.00 0.00 H new ATOM 123 N LYS A 9 8.927 3.103 1.455 1.00 0.00 N ATOM 124 CA LYS A 9 9.363 2.010 2.313 1.00 0.00 C ATOM 125 C LYS A 9 8.376 0.851 2.232 1.00 0.00 C ATOM 126 O LYS A 9 8.751 -0.277 1.926 1.00 0.00 O ATOM 127 CB LYS A 9 9.503 2.521 3.753 1.00 0.00 C ATOM 128 CG LYS A 9 9.953 1.453 4.767 1.00 0.00 C ATOM 129 CD LYS A 9 11.239 0.710 4.383 1.00 0.00 C ATOM 130 CE LYS A 9 11.631 -0.242 5.515 1.00 0.00 C ATOM 131 NZ LYS A 9 12.704 -1.162 5.101 1.00 0.00 N ATOM 0 H LYS A 9 8.756 3.974 1.958 1.00 0.00 H new ATOM 0 HA LYS A 9 10.333 1.643 1.977 1.00 0.00 H new ATOM 0 HB2 LYS A 9 10.220 3.342 3.766 1.00 0.00 H new ATOM 0 HB3 LYS A 9 8.545 2.930 4.075 1.00 0.00 H new ATOM 0 HG2 LYS A 9 10.100 1.930 5.736 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.151 0.725 4.888 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.088 0.152 3.459 1.00 0.00 H new ATOM 0 HD3 LYS A 9 12.043 1.423 4.197 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.959 0.335 6.380 1.00 0.00 H new ATOM 0 HE3 LYS A 9 10.759 -0.816 5.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.153 -1.574 5.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.303 -1.923 4.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.415 -0.640 4.550 1.00 0.00 H new ATOM 145 N GLN A 10 7.102 1.138 2.490 1.00 0.00 N ATOM 146 CA GLN A 10 6.043 0.140 2.502 1.00 0.00 C ATOM 147 C GLN A 10 5.892 -0.480 1.103 1.00 0.00 C ATOM 148 O GLN A 10 5.746 -1.691 0.993 1.00 0.00 O ATOM 149 CB GLN A 10 4.736 0.739 3.050 1.00 0.00 C ATOM 150 CG GLN A 10 4.756 0.953 4.576 1.00 0.00 C ATOM 151 CD GLN A 10 5.811 1.954 5.050 1.00 0.00 C ATOM 152 OE1 GLN A 10 6.807 1.583 5.653 1.00 0.00 O ATOM 153 NE2 GLN A 10 5.631 3.230 4.742 1.00 0.00 N ATOM 0 H GLN A 10 6.776 2.082 2.699 1.00 0.00 H new ATOM 0 HA GLN A 10 6.308 -0.671 3.180 1.00 0.00 H new ATOM 0 HB2 GLN A 10 4.548 1.694 2.559 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.907 0.080 2.793 1.00 0.00 H new ATOM 0 HG2 GLN A 10 3.773 1.297 4.897 1.00 0.00 H new ATOM 0 HG3 GLN A 10 4.933 -0.005 5.065 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.793 3.520 4.238 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.331 3.923 5.009 1.00 0.00 H new ATOM 162 N ALA A 11 6.012 0.325 0.039 1.00 0.00 N ATOM 163 CA ALA A 11 6.112 -0.127 -1.343 1.00 0.00 C ATOM 164 C ALA A 11 7.252 -1.107 -1.550 1.00 0.00 C ATOM 165 O ALA A 11 7.042 -2.134 -2.190 1.00 0.00 O ATOM 166 CB ALA A 11 6.265 1.067 -2.284 1.00 0.00 C ATOM 0 H ALA A 11 6.043 1.341 0.126 1.00 0.00 H new ATOM 0 HA ALA A 11 5.186 -0.654 -1.575 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.338 0.713 -3.312 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.398 1.721 -2.186 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.168 1.621 -2.026 1.00 0.00 H new ATOM 172 N CYS A 12 8.432 -0.823 -1.000 1.00 0.00 N ATOM 173 CA CYS A 12 9.538 -1.776 -1.025 1.00 0.00 C ATOM 174 C CYS A 12 9.157 -3.092 -0.333 1.00 0.00 C ATOM 175 O CYS A 12 9.477 -4.172 -0.837 1.00 0.00 O ATOM 176 CB CYS A 12 10.804 -1.170 -0.413 1.00 0.00 C ATOM 177 SG CYS A 12 11.522 0.041 -1.556 1.00 0.00 S ATOM 0 H CYS A 12 8.645 0.058 -0.533 1.00 0.00 H new ATOM 0 HA CYS A 12 9.753 -2.006 -2.069 1.00 0.00 H new ATOM 0 HB2 CYS A 12 10.566 -0.691 0.536 1.00 0.00 H new ATOM 0 HB3 CYS A 12 11.528 -1.956 -0.200 1.00 0.00 H new ATOM 0 HG CYS A 12 12.595 0.553 -1.029 1.00 0.00 H new ATOM 182 N GLU A 13 8.435 -3.025 0.792 1.00 0.00 N ATOM 183 CA GLU A 13 7.971 -4.221 1.481 1.00 0.00 C ATOM 184 C GLU A 13 6.961 -5.021 0.658 1.00 0.00 C ATOM 185 O GLU A 13 6.853 -6.220 0.894 1.00 0.00 O ATOM 186 CB GLU A 13 7.392 -3.924 2.876 1.00 0.00 C ATOM 187 CG GLU A 13 8.330 -3.146 3.809 1.00 0.00 C ATOM 188 CD GLU A 13 9.753 -3.705 3.847 1.00 0.00 C ATOM 189 OE1 GLU A 13 9.893 -4.916 4.123 1.00 0.00 O ATOM 190 OE2 GLU A 13 10.690 -2.920 3.577 1.00 0.00 O ATOM 0 H GLU A 13 8.162 -2.150 1.240 1.00 0.00 H new ATOM 0 HA GLU A 13 8.864 -4.832 1.612 1.00 0.00 H new ATOM 0 HB2 GLU A 13 6.468 -3.358 2.758 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.128 -4.868 3.353 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.366 -2.104 3.490 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.917 -3.156 4.818 1.00 0.00 H new ATOM 197 N ILE A 14 6.268 -4.433 -0.330 1.00 0.00 N ATOM 198 CA ILE A 14 5.430 -5.196 -1.243 1.00 0.00 C ATOM 199 C ILE A 14 6.287 -6.208 -1.989 1.00 0.00 C ATOM 200 O ILE A 14 5.946 -7.392 -2.039 1.00 0.00 O ATOM 201 CB ILE A 14 4.693 -4.298 -2.240 1.00 0.00 C ATOM 202 CG1 ILE A 14 3.913 -3.149 -1.610 1.00 0.00 C ATOM 203 CG2 ILE A 14 3.787 -5.119 -3.163 1.00 0.00 C ATOM 204 CD1 ILE A 14 2.734 -3.548 -0.752 1.00 0.00 C ATOM 0 H ILE A 14 6.278 -3.429 -0.510 1.00 0.00 H new ATOM 0 HA ILE A 14 4.673 -5.709 -0.651 1.00 0.00 H new ATOM 0 HB ILE A 14 5.483 -3.829 -2.827 1.00 0.00 H new ATOM 0 HG12 ILE A 14 4.599 -2.560 -1.001 1.00 0.00 H new ATOM 0 HG13 ILE A 14 3.555 -2.498 -2.407 1.00 0.00 H new ATOM 0 HG21 ILE A 14 3.278 -4.453 -3.859 1.00 0.00 H new ATOM 0 HG22 ILE A 14 4.390 -5.835 -3.721 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.048 -5.654 -2.566 1.00 0.00 H new ATOM 0 HD11 ILE A 14 2.253 -2.654 -0.356 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.019 -4.108 -1.354 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.079 -4.171 0.073 1.00 0.00 H new ATOM 216 N GLN A 15 7.395 -5.723 -2.564 1.00 0.00 N ATOM 217 CA GLN A 15 8.310 -6.570 -3.300 1.00 0.00 C ATOM 218 C GLN A 15 8.796 -7.649 -2.348 1.00 0.00 C ATOM 219 O GLN A 15 8.601 -8.829 -2.614 1.00 0.00 O ATOM 220 CB GLN A 15 9.504 -5.812 -3.912 1.00 0.00 C ATOM 221 CG GLN A 15 9.176 -4.922 -5.120 1.00 0.00 C ATOM 222 CD GLN A 15 8.673 -3.554 -4.680 1.00 0.00 C ATOM 223 OE1 GLN A 15 9.455 -2.672 -4.348 1.00 0.00 O ATOM 224 NE2 GLN A 15 7.364 -3.371 -4.618 1.00 0.00 N ATOM 0 H GLN A 15 7.670 -4.742 -2.527 1.00 0.00 H new ATOM 0 HA GLN A 15 7.776 -6.993 -4.151 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.953 -5.191 -3.137 1.00 0.00 H new ATOM 0 HB3 GLN A 15 10.257 -6.540 -4.213 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.066 -4.803 -5.739 1.00 0.00 H new ATOM 0 HG3 GLN A 15 8.421 -5.408 -5.738 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.731 -4.119 -4.900 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.988 -2.482 -4.289 1.00 0.00 H new ATOM 233 N LYS A 16 9.388 -7.261 -1.223 1.00 0.00 N ATOM 234 CA LYS A 16 10.073 -8.213 -0.363 1.00 0.00 C ATOM 235 C LYS A 16 9.097 -9.176 0.301 1.00 0.00 C ATOM 236 O LYS A 16 9.465 -10.330 0.520 1.00 0.00 O ATOM 237 CB LYS A 16 10.869 -7.433 0.689 1.00 0.00 C ATOM 238 CG LYS A 16 11.965 -6.541 0.070 1.00 0.00 C ATOM 239 CD LYS A 16 12.230 -5.286 0.905 1.00 0.00 C ATOM 240 CE LYS A 16 12.799 -5.645 2.282 1.00 0.00 C ATOM 241 NZ LYS A 16 13.173 -4.442 3.045 1.00 0.00 N ATOM 0 H LYS A 16 9.406 -6.298 -0.889 1.00 0.00 H new ATOM 0 HA LYS A 16 10.748 -8.819 -0.968 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.186 -6.812 1.268 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.328 -8.135 1.385 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.887 -7.114 -0.024 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.667 -6.249 -0.937 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.929 -4.637 0.378 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.303 -4.725 1.027 1.00 0.00 H new ATOM 0 HE2 LYS A 16 12.061 -6.218 2.843 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.673 -6.285 2.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 13.632 -4.724 3.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.832 -3.866 2.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 12.320 -3.886 3.256 1.00 0.00 H new ATOM 255 N CYS A 17 7.849 -8.760 0.555 1.00 0.00 N ATOM 256 CA CYS A 17 6.801 -9.676 0.965 1.00 0.00 C ATOM 257 C CYS A 17 6.666 -10.777 -0.073 1.00 0.00 C ATOM 258 O CYS A 17 6.629 -11.945 0.298 1.00 0.00 O ATOM 259 CB CYS A 17 5.470 -8.948 1.146 1.00 0.00 C ATOM 260 SG CYS A 17 4.051 -10.044 1.440 1.00 0.00 S ATOM 0 H CYS A 17 7.550 -7.788 0.480 1.00 0.00 H new ATOM 0 HA CYS A 17 7.071 -10.111 1.927 1.00 0.00 H new ATOM 0 HB2 CYS A 17 5.559 -8.256 1.983 1.00 0.00 H new ATOM 0 HB3 CYS A 17 5.273 -8.349 0.257 1.00 0.00 H new ATOM 262 N LEU A 18 6.608 -10.422 -1.360 1.00 0.00 N ATOM 263 CA LEU A 18 6.506 -11.379 -2.442 1.00 0.00 C ATOM 264 C LEU A 18 7.684 -12.354 -2.427 1.00 0.00 C ATOM 265 O LEU A 18 7.454 -13.561 -2.529 1.00 0.00 O ATOM 266 CB LEU A 18 6.336 -10.641 -3.785 1.00 0.00 C ATOM 267 CG LEU A 18 4.901 -10.772 -4.313 1.00 0.00 C ATOM 268 CD1 LEU A 18 4.044 -9.600 -3.824 1.00 0.00 C ATOM 269 CD2 LEU A 18 4.855 -10.779 -5.846 1.00 0.00 C ATOM 0 H LEU A 18 6.631 -9.451 -1.673 1.00 0.00 H new ATOM 0 HA LEU A 18 5.615 -11.991 -2.303 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.585 -9.587 -3.658 1.00 0.00 H new ATOM 0 HB3 LEU A 18 7.034 -11.047 -4.517 1.00 0.00 H new ATOM 0 HG LEU A 18 4.514 -11.719 -3.936 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.029 -9.707 -4.207 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.022 -9.595 -2.734 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.470 -8.663 -4.183 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.821 -10.873 -6.179 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.275 -9.848 -6.227 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.436 -11.621 -6.224 1.00 0.00 H new ATOM 281 N GLN A 19 8.914 -11.858 -2.242 1.00 0.00 N ATOM 282 CA GLN A 19 10.090 -12.710 -2.076 1.00 0.00 C ATOM 283 C GLN A 19 9.933 -13.654 -0.879 1.00 0.00 C ATOM 284 O GLN A 19 10.202 -14.847 -1.007 1.00 0.00 O ATOM 285 CB GLN A 19 11.399 -11.897 -2.052 1.00 0.00 C ATOM 286 CG GLN A 19 11.823 -11.301 -3.417 1.00 0.00 C ATOM 287 CD GLN A 19 11.119 -9.990 -3.764 1.00 0.00 C ATOM 288 OE1 GLN A 19 11.530 -8.932 -3.308 1.00 0.00 O ATOM 289 NE2 GLN A 19 10.033 -10.014 -4.533 1.00 0.00 N ATOM 0 H GLN A 19 9.118 -10.859 -2.204 1.00 0.00 H new ATOM 0 HA GLN A 19 10.164 -13.348 -2.957 1.00 0.00 H new ATOM 0 HB2 GLN A 19 11.291 -11.083 -1.335 1.00 0.00 H new ATOM 0 HB3 GLN A 19 12.201 -12.539 -1.687 1.00 0.00 H new ATOM 0 HG2 GLN A 19 12.900 -11.133 -3.411 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.619 -12.031 -4.201 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.695 -10.899 -4.911 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.539 -9.147 -4.745 1.00 0.00 H new ATOM 298 N ALA A 20 9.431 -13.154 0.253 1.00 0.00 N ATOM 299 CA ALA A 20 9.152 -13.945 1.442 1.00 0.00 C ATOM 300 C ALA A 20 7.962 -14.915 1.291 1.00 0.00 C ATOM 301 O ALA A 20 7.795 -15.781 2.146 1.00 0.00 O ATOM 302 CB ALA A 20 8.925 -12.985 2.618 1.00 0.00 C ATOM 0 H ALA A 20 9.204 -12.166 0.365 1.00 0.00 H new ATOM 0 HA ALA A 20 10.016 -14.586 1.619 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.714 -13.559 3.520 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.819 -12.381 2.773 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.080 -12.332 2.397 1.00 0.00 H new ATOM 308 N ASN A 21 7.138 -14.797 0.238 1.00 0.00 N ATOM 309 CA ASN A 21 5.856 -15.497 0.111 1.00 0.00 C ATOM 310 C ASN A 21 5.720 -16.306 -1.180 1.00 0.00 C ATOM 311 O ASN A 21 4.603 -16.707 -1.501 1.00 0.00 O ATOM 312 CB ASN A 21 4.699 -14.500 0.301 1.00 0.00 C ATOM 313 CG ASN A 21 4.495 -14.181 1.777 1.00 0.00 C ATOM 314 OD1 ASN A 21 3.779 -14.883 2.480 1.00 0.00 O ATOM 315 ND2 ASN A 21 5.133 -13.136 2.274 1.00 0.00 N ATOM 0 H ASN A 21 7.351 -14.201 -0.562 1.00 0.00 H new ATOM 0 HA ASN A 21 5.814 -16.243 0.904 1.00 0.00 H new ATOM 0 HB2 ASN A 21 4.910 -13.582 -0.248 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.782 -14.917 -0.116 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.034 -12.900 3.261 1.00 0.00 H new ATOM 0 HD22 ASN A 21 5.724 -12.565 1.670 1.00 0.00 H new ATOM 322 N SER A 22 6.801 -16.585 -1.931 1.00 0.00 N ATOM 323 CA SER A 22 6.712 -17.354 -3.172 1.00 0.00 C ATOM 324 C SER A 22 5.809 -16.633 -4.172 1.00 0.00 C ATOM 325 O SER A 22 5.096 -17.256 -4.955 1.00 0.00 O ATOM 326 CB SER A 22 6.301 -18.810 -2.910 1.00 0.00 C ATOM 327 OG SER A 22 7.163 -19.387 -1.949 1.00 0.00 O ATOM 0 H SER A 22 7.747 -16.285 -1.693 1.00 0.00 H new ATOM 0 HA SER A 22 7.702 -17.415 -3.624 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.271 -18.848 -2.557 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.342 -19.381 -3.837 1.00 0.00 H new ATOM 0 HG SER A 22 6.895 -20.315 -1.785 1.00 0.00 H new ATOM 333 N TYR A 23 5.873 -15.295 -4.140 1.00 0.00 N ATOM 334 CA TYR A 23 5.323 -14.379 -5.122 1.00 0.00 C ATOM 335 C TYR A 23 3.795 -14.356 -5.154 1.00 0.00 C ATOM 336 O TYR A 23 3.178 -13.790 -6.055 1.00 0.00 O ATOM 337 CB TYR A 23 6.063 -14.626 -6.440 1.00 0.00 C ATOM 338 CG TYR A 23 7.562 -14.626 -6.188 1.00 0.00 C ATOM 339 CD1 TYR A 23 8.168 -13.422 -5.806 1.00 0.00 C ATOM 340 CD2 TYR A 23 8.277 -15.831 -6.021 1.00 0.00 C ATOM 341 CE1 TYR A 23 9.459 -13.409 -5.291 1.00 0.00 C ATOM 342 CE2 TYR A 23 9.613 -15.821 -5.587 1.00 0.00 C ATOM 343 CZ TYR A 23 10.219 -14.599 -5.224 1.00 0.00 C ATOM 344 OH TYR A 23 11.482 -14.577 -4.715 1.00 0.00 O ATOM 0 H TYR A 23 6.340 -14.804 -3.378 1.00 0.00 H new ATOM 0 HA TYR A 23 5.507 -13.340 -4.848 1.00 0.00 H new ATOM 0 HB2 TYR A 23 5.756 -15.580 -6.869 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.805 -13.853 -7.164 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.626 -12.494 -5.913 1.00 0.00 H new ATOM 0 HD2 TYR A 23 7.791 -16.773 -6.229 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.885 -12.481 -4.939 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.173 -16.743 -5.531 1.00 0.00 H new ATOM 0 HH TYR A 23 11.861 -15.480 -4.742 1.00 0.00 H new ATOM 354 N MET A 24 3.191 -14.917 -4.106 1.00 0.00 N ATOM 355 CA MET A 24 1.774 -14.942 -3.859 1.00 0.00 C ATOM 356 C MET A 24 1.328 -13.558 -3.401 1.00 0.00 C ATOM 357 O MET A 24 1.287 -13.277 -2.202 1.00 0.00 O ATOM 358 CB MET A 24 1.447 -16.037 -2.829 1.00 0.00 C ATOM 359 CG MET A 24 1.901 -17.414 -3.325 1.00 0.00 C ATOM 360 SD MET A 24 1.191 -18.815 -2.419 1.00 0.00 S ATOM 361 CE MET A 24 2.279 -18.838 -0.970 1.00 0.00 C ATOM 0 H MET A 24 3.720 -15.389 -3.373 1.00 0.00 H new ATOM 0 HA MET A 24 1.227 -15.185 -4.770 1.00 0.00 H new ATOM 0 HB2 MET A 24 1.937 -15.808 -1.883 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.374 -16.052 -2.637 1.00 0.00 H new ATOM 0 HG2 MET A 24 1.640 -17.510 -4.379 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.988 -17.469 -3.259 1.00 0.00 H new ATOM 0 HE1 MET A 24 1.849 -19.482 -0.203 1.00 0.00 H new ATOM 0 HE2 MET A 24 3.259 -19.219 -1.257 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.384 -17.826 -0.578 1.00 0.00 H new ATOM 371 N GLU A 25 0.951 -12.689 -4.347 1.00 0.00 N ATOM 372 CA GLU A 25 0.361 -11.396 -4.016 1.00 0.00 C ATOM 373 C GLU A 25 -0.874 -11.557 -3.116 1.00 0.00 C ATOM 374 O GLU A 25 -1.182 -10.645 -2.354 1.00 0.00 O ATOM 375 CB GLU A 25 0.018 -10.603 -5.288 1.00 0.00 C ATOM 376 CG GLU A 25 0.114 -9.094 -5.015 1.00 0.00 C ATOM 377 CD GLU A 25 -0.739 -8.264 -5.973 1.00 0.00 C ATOM 378 OE1 GLU A 25 -0.368 -8.204 -7.165 1.00 0.00 O ATOM 379 OE2 GLU A 25 -1.749 -7.703 -5.488 1.00 0.00 O ATOM 0 H GLU A 25 1.046 -12.863 -5.348 1.00 0.00 H new ATOM 0 HA GLU A 25 1.105 -10.828 -3.457 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.700 -10.879 -6.092 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.988 -10.856 -5.623 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.199 -8.894 -3.990 1.00 0.00 H new ATOM 0 HG3 GLU A 25 1.155 -8.780 -5.097 1.00 0.00 H new ATOM 386 N SER A 26 -1.536 -12.721 -3.141 1.00 0.00 N ATOM 387 CA SER A 26 -2.594 -13.134 -2.229 1.00 0.00 C ATOM 388 C SER A 26 -2.177 -12.993 -0.760 1.00 0.00 C ATOM 389 O SER A 26 -2.941 -12.467 0.046 1.00 0.00 O ATOM 390 CB SER A 26 -2.967 -14.590 -2.541 1.00 0.00 C ATOM 391 OG SER A 26 -3.001 -14.812 -3.940 1.00 0.00 O ATOM 0 H SER A 26 -1.331 -13.435 -3.840 1.00 0.00 H new ATOM 0 HA SER A 26 -3.454 -12.481 -2.375 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.244 -15.262 -2.079 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.940 -14.822 -2.108 1.00 0.00 H new ATOM 0 HG SER A 26 -3.239 -15.746 -4.117 1.00 0.00 H new ATOM 397 N LYS A 27 -0.957 -13.425 -0.410 1.00 0.00 N ATOM 398 CA LYS A 27 -0.381 -13.242 0.916 1.00 0.00 C ATOM 399 C LYS A 27 -0.125 -11.757 1.144 1.00 0.00 C ATOM 400 O LYS A 27 -0.495 -11.190 2.174 1.00 0.00 O ATOM 401 CB LYS A 27 0.944 -14.017 1.042 1.00 0.00 C ATOM 402 CG LYS A 27 0.823 -15.543 0.896 1.00 0.00 C ATOM 403 CD LYS A 27 0.489 -16.225 2.225 1.00 0.00 C ATOM 404 CE LYS A 27 0.298 -17.727 2.000 1.00 0.00 C ATOM 405 NZ LYS A 27 -0.012 -18.426 3.260 1.00 0.00 N ATOM 0 H LYS A 27 -0.339 -13.918 -1.055 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.078 -13.622 1.663 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.636 -13.649 0.284 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.386 -13.794 2.013 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.049 -15.776 0.165 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.759 -15.945 0.508 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.290 -16.054 2.944 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.417 -15.793 2.649 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.508 -17.889 1.285 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.203 -18.148 1.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.135 -19.441 3.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.769 -18.291 3.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.889 -18.040 3.665 1.00 0.00 H new ATOM 419 N CYS A 28 0.496 -11.111 0.154 1.00 0.00 N ATOM 420 CA CYS A 28 0.935 -9.738 0.224 1.00 0.00 C ATOM 421 C CYS A 28 -0.225 -8.738 0.196 1.00 0.00 C ATOM 422 O CYS A 28 0.018 -7.547 0.361 1.00 0.00 O ATOM 423 CB CYS A 28 2.027 -9.576 -0.832 1.00 0.00 C ATOM 424 SG CYS A 28 3.429 -10.657 -0.418 1.00 0.00 S ATOM 0 H CYS A 28 0.708 -11.553 -0.740 1.00 0.00 H new ATOM 0 HA CYS A 28 1.377 -9.493 1.190 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.636 -9.829 -1.817 1.00 0.00 H new ATOM 0 HB3 CYS A 28 2.355 -8.537 -0.876 1.00 0.00 H new ATOM 426 N GLN A 29 -1.488 -9.178 0.126 1.00 0.00 N ATOM 427 CA GLN A 29 -2.626 -8.290 0.373 1.00 0.00 C ATOM 428 C GLN A 29 -2.526 -7.634 1.763 1.00 0.00 C ATOM 429 O GLN A 29 -3.016 -6.515 1.938 1.00 0.00 O ATOM 430 CB GLN A 29 -3.969 -9.020 0.215 1.00 0.00 C ATOM 431 CG GLN A 29 -4.223 -9.557 -1.200 1.00 0.00 C ATOM 432 CD GLN A 29 -3.997 -8.506 -2.285 1.00 0.00 C ATOM 433 OE1 GLN A 29 -4.763 -7.561 -2.417 1.00 0.00 O ATOM 434 NE2 GLN A 29 -2.928 -8.641 -3.054 1.00 0.00 N ATOM 0 H GLN A 29 -1.745 -10.139 -0.099 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.588 -7.505 -0.382 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.005 -9.851 0.920 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.776 -8.338 0.484 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.567 -10.408 -1.383 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.247 -9.924 -1.265 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.304 -9.438 -2.925 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.728 -7.948 -3.776 1.00 0.00 H new ATOM 443 N ALA A 30 -1.828 -8.284 2.711 1.00 0.00 N ATOM 444 CA ALA A 30 -1.438 -7.736 4.006 1.00 0.00 C ATOM 445 C ALA A 30 -0.594 -6.471 3.866 1.00 0.00 C ATOM 446 O ALA A 30 -0.837 -5.469 4.530 1.00 0.00 O ATOM 447 CB ALA A 30 -0.600 -8.775 4.762 1.00 0.00 C ATOM 0 H ALA A 30 -1.511 -9.245 2.583 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.354 -7.489 4.542 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.306 -8.370 5.730 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.190 -9.680 4.911 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.292 -9.014 4.183 1.00 0.00 H new ATOM 453 N VAL A 31 0.438 -6.532 3.027 1.00 0.00 N ATOM 454 CA VAL A 31 1.397 -5.470 2.853 1.00 0.00 C ATOM 455 C VAL A 31 0.844 -4.422 1.877 1.00 0.00 C ATOM 456 O VAL A 31 1.166 -3.246 2.033 1.00 0.00 O ATOM 457 CB VAL A 31 2.751 -6.110 2.518 1.00 0.00 C ATOM 458 CG1 VAL A 31 2.786 -6.744 1.141 1.00 0.00 C ATOM 459 CG2 VAL A 31 3.939 -5.187 2.692 1.00 0.00 C ATOM 0 H VAL A 31 0.625 -7.345 2.440 1.00 0.00 H new ATOM 0 HA VAL A 31 1.574 -4.889 3.758 1.00 0.00 H new ATOM 0 HB VAL A 31 2.848 -6.899 3.264 1.00 0.00 H new ATOM 0 HG11 VAL A 31 3.770 -7.178 0.965 1.00 0.00 H new ATOM 0 HG12 VAL A 31 2.028 -7.525 1.081 1.00 0.00 H new ATOM 0 HG13 VAL A 31 2.585 -5.984 0.386 1.00 0.00 H new ATOM 0 HG21 VAL A 31 4.854 -5.720 2.434 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.826 -4.322 2.039 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.993 -4.854 3.729 1.00 0.00 H new ATOM 469 N ILE A 32 -0.060 -4.796 0.949 1.00 0.00 N ATOM 470 CA ILE A 32 -0.849 -3.820 0.210 1.00 0.00 C ATOM 471 C ILE A 32 -1.628 -3.039 1.269 1.00 0.00 C ATOM 472 O ILE A 32 -1.582 -1.814 1.258 1.00 0.00 O ATOM 473 CB ILE A 32 -1.765 -4.454 -0.876 1.00 0.00 C ATOM 474 CG1 ILE A 32 -1.031 -4.720 -2.214 1.00 0.00 C ATOM 475 CG2 ILE A 32 -3.010 -3.576 -1.164 1.00 0.00 C ATOM 476 CD1 ILE A 32 -0.154 -5.981 -2.240 1.00 0.00 C ATOM 0 H ILE A 32 -0.253 -5.767 0.702 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.203 -3.162 -0.372 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.075 -5.411 -0.457 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.774 -4.797 -3.008 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.406 -3.857 -2.445 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.623 -4.054 -1.928 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.593 -3.460 -0.250 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -2.690 -2.596 -1.517 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.316 -6.077 -3.219 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.617 -5.904 -1.474 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.772 -6.858 -2.046 1.00 0.00 H new ATOM 488 N GLN A 33 -2.261 -3.731 2.228 1.00 0.00 N ATOM 489 CA GLN A 33 -2.947 -3.101 3.336 1.00 0.00 C ATOM 490 C GLN A 33 -2.038 -2.160 4.107 1.00 0.00 C ATOM 491 O GLN A 33 -2.503 -1.136 4.607 1.00 0.00 O ATOM 492 CB GLN A 33 -3.542 -4.157 4.279 1.00 0.00 C ATOM 493 CG GLN A 33 -5.032 -3.899 4.442 1.00 0.00 C ATOM 494 CD GLN A 33 -5.838 -3.981 3.134 1.00 0.00 C ATOM 495 OE1 GLN A 33 -6.844 -3.297 2.981 1.00 0.00 O ATOM 496 NE2 GLN A 33 -5.421 -4.764 2.141 1.00 0.00 N ATOM 0 H GLN A 33 -2.304 -4.750 2.245 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.757 -2.506 2.915 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.376 -5.156 3.877 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.046 -4.117 5.249 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -5.438 -4.621 5.151 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.172 -2.910 4.879 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -4.585 -5.336 2.260 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -5.937 -4.791 1.262 1.00 0.00 H new ATOM 505 N GLU A 34 -0.745 -2.468 4.186 1.00 0.00 N ATOM 506 CA GLU A 34 0.156 -1.595 4.871 1.00 0.00 C ATOM 507 C GLU A 34 0.463 -0.339 4.040 1.00 0.00 C ATOM 508 O GLU A 34 0.506 0.756 4.602 1.00 0.00 O ATOM 509 CB GLU A 34 1.411 -2.384 5.248 1.00 0.00 C ATOM 510 CG GLU A 34 2.256 -1.505 6.148 1.00 0.00 C ATOM 511 CD GLU A 34 3.493 -2.241 6.659 1.00 0.00 C ATOM 512 OE1 GLU A 34 4.380 -2.514 5.821 1.00 0.00 O ATOM 513 OE2 GLU A 34 3.526 -2.530 7.876 1.00 0.00 O ATOM 0 H GLU A 34 -0.320 -3.305 3.786 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.306 -1.228 5.788 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.142 -3.308 5.759 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.969 -2.665 4.355 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.563 -0.614 5.601 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.657 -1.169 6.995 1.00 0.00 H new ATOM 520 N LEU A 35 0.638 -0.457 2.715 1.00 0.00 N ATOM 521 CA LEU A 35 0.795 0.706 1.848 1.00 0.00 C ATOM 522 C LEU A 35 -0.474 1.551 1.870 1.00 0.00 C ATOM 523 O LEU A 35 -0.386 2.775 1.854 1.00 0.00 O ATOM 524 CB LEU A 35 1.160 0.332 0.403 1.00 0.00 C ATOM 525 CG LEU A 35 2.532 0.761 -0.101 1.00 0.00 C ATOM 526 CD1 LEU A 35 2.645 0.497 -1.603 1.00 0.00 C ATOM 527 CD2 LEU A 35 2.788 2.253 0.104 1.00 0.00 C ATOM 0 H LEU A 35 0.673 -1.351 2.226 1.00 0.00 H new ATOM 0 HA LEU A 35 1.630 1.284 2.243 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.088 -0.751 0.306 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.407 0.762 -0.258 1.00 0.00 H new ATOM 0 HG LEU A 35 3.260 0.184 0.470 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.629 0.807 -1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.509 -0.567 -1.797 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.877 1.063 -2.131 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.779 2.507 -0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.036 2.829 -0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.731 2.489 1.167 1.00 0.00 H new ATOM 539 N ARG A 36 -1.638 0.906 1.965 1.00 0.00 N ATOM 540 CA ARG A 36 -2.938 1.543 2.117 1.00 0.00 C ATOM 541 C ARG A 36 -2.924 2.445 3.342 1.00 0.00 C ATOM 542 O ARG A 36 -3.134 3.654 3.267 1.00 0.00 O ATOM 543 CB ARG A 36 -4.008 0.459 2.329 1.00 0.00 C ATOM 544 CG ARG A 36 -4.962 0.248 1.173 1.00 0.00 C ATOM 545 CD ARG A 36 -5.063 -1.237 0.825 1.00 0.00 C ATOM 546 NE ARG A 36 -5.748 -1.487 -0.444 1.00 0.00 N ATOM 547 CZ ARG A 36 -6.852 -2.219 -0.644 1.00 0.00 C ATOM 548 NH1 ARG A 36 -7.555 -2.748 0.359 1.00 0.00 N ATOM 549 NH2 ARG A 36 -7.229 -2.429 -1.903 1.00 0.00 N ATOM 0 H ARG A 36 -1.698 -0.112 1.937 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.158 2.128 1.224 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.506 -0.485 2.540 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.589 0.716 3.215 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.948 0.634 1.432 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.618 0.809 0.304 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -4.060 -1.662 0.779 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.592 -1.756 1.624 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.338 -1.054 -1.271 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.257 -2.601 1.323 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.390 -3.299 0.161 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.683 -2.038 -2.671 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.064 -2.981 -2.100 1.00 0.00 H new ATOM 563 N LYS A 37 -2.674 1.799 4.481 1.00 0.00 N ATOM 564 CA LYS A 37 -2.671 2.405 5.809 1.00 0.00 C ATOM 565 C LYS A 37 -1.628 3.514 5.880 1.00 0.00 C ATOM 566 O LYS A 37 -1.894 4.559 6.468 1.00 0.00 O ATOM 567 CB LYS A 37 -2.417 1.336 6.882 1.00 0.00 C ATOM 568 CG LYS A 37 -3.647 0.440 7.096 1.00 0.00 C ATOM 569 CD LYS A 37 -3.267 -0.833 7.864 1.00 0.00 C ATOM 570 CE LYS A 37 -4.475 -1.768 7.952 1.00 0.00 C ATOM 571 NZ LYS A 37 -4.130 -3.034 8.622 1.00 0.00 N ATOM 0 H LYS A 37 -2.460 0.802 4.503 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.649 2.847 5.999 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.566 0.721 6.589 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.152 1.820 7.822 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.411 0.989 7.648 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.080 0.173 6.132 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.441 -1.338 7.363 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.922 -0.575 8.865 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.280 -1.274 8.497 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.849 -1.976 6.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -4.971 -3.644 8.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.379 -3.516 8.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -3.796 -2.836 9.587 1.00 0.00 H new ATOM 585 N CYS A 38 -0.469 3.306 5.246 1.00 0.00 N ATOM 586 CA CYS A 38 0.530 4.337 5.076 1.00 0.00 C ATOM 587 C CYS A 38 -0.057 5.492 4.286 1.00 0.00 C ATOM 588 O CYS A 38 0.040 6.629 4.718 1.00 0.00 O ATOM 589 CB CYS A 38 1.767 3.788 4.365 1.00 0.00 C ATOM 590 SG CYS A 38 3.047 5.057 4.134 1.00 0.00 S ATOM 0 H CYS A 38 -0.207 2.408 4.838 1.00 0.00 H new ATOM 0 HA CYS A 38 0.835 4.690 6.061 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.179 2.960 4.943 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.477 3.386 3.394 1.00 0.00 H new ATOM 592 N CYS A 39 -0.652 5.220 3.127 1.00 0.00 N ATOM 593 CA CYS A 39 -1.112 6.254 2.219 1.00 0.00 C ATOM 594 C CYS A 39 -2.151 7.149 2.880 1.00 0.00 C ATOM 595 O CYS A 39 -2.070 8.374 2.811 1.00 0.00 O ATOM 596 CB CYS A 39 -1.649 5.578 0.976 1.00 0.00 C ATOM 597 SG CYS A 39 -2.089 6.643 -0.413 1.00 0.00 S ATOM 0 H CYS A 39 -0.827 4.271 2.795 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.285 6.910 1.945 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -0.903 4.862 0.631 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -2.533 5.006 1.257 1.00 0.00 H new ATOM 599 N ALA A 40 -3.074 6.515 3.596 1.00 0.00 N ATOM 600 CA ALA A 40 -4.154 7.150 4.323 1.00 0.00 C ATOM 601 C ALA A 40 -3.677 7.973 5.524 1.00 0.00 C ATOM 602 O ALA A 40 -4.498 8.609 6.183 1.00 0.00 O ATOM 603 CB ALA A 40 -5.160 6.074 4.754 1.00 0.00 C ATOM 0 H ALA A 40 -3.085 5.499 3.686 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.631 7.866 3.654 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.978 6.540 5.303 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.555 5.571 3.871 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.662 5.346 5.394 1.00 0.00 H new ATOM 609 N GLN A 41 -2.369 8.001 5.814 1.00 0.00 N ATOM 610 CA GLN A 41 -1.784 8.868 6.807 1.00 0.00 C ATOM 611 C GLN A 41 -1.583 10.282 6.237 1.00 0.00 C ATOM 612 O GLN A 41 -1.221 11.192 6.980 1.00 0.00 O ATOM 613 CB GLN A 41 -0.441 8.238 7.178 1.00 0.00 C ATOM 614 CG GLN A 41 0.106 8.590 8.545 1.00 0.00 C ATOM 615 CD GLN A 41 1.415 7.846 8.818 1.00 0.00 C ATOM 616 OE1 GLN A 41 2.505 8.319 8.499 1.00 0.00 O ATOM 617 NE2 GLN A 41 1.341 6.650 9.386 1.00 0.00 N ATOM 0 H GLN A 41 -1.687 7.404 5.347 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.429 8.968 7.680 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.542 7.154 7.118 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.294 8.531 6.429 1.00 0.00 H new ATOM 0 HG2 GLN A 41 0.274 9.665 8.608 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.627 8.337 9.311 1.00 0.00 H new ATOM 0 HE21 GLN A 41 0.433 6.265 9.648 1.00 0.00 H new ATOM 0 HE22 GLN A 41 2.192 6.115 9.561 1.00 0.00 H new ATOM 626 N TYR A 42 -1.786 10.461 4.922 1.00 0.00 N ATOM 627 CA TYR A 42 -1.415 11.633 4.165 1.00 0.00 C ATOM 628 C TYR A 42 -2.482 11.989 3.124 1.00 0.00 C ATOM 629 O TYR A 42 -3.347 11.164 2.823 1.00 0.00 O ATOM 630 CB TYR A 42 -0.108 11.322 3.425 1.00 0.00 C ATOM 631 CG TYR A 42 1.051 10.902 4.298 1.00 0.00 C ATOM 632 CD1 TYR A 42 1.889 11.859 4.899 1.00 0.00 C ATOM 633 CD2 TYR A 42 1.273 9.538 4.529 1.00 0.00 C ATOM 634 CE1 TYR A 42 2.930 11.446 5.746 1.00 0.00 C ATOM 635 CE2 TYR A 42 2.337 9.110 5.332 1.00 0.00 C ATOM 636 CZ TYR A 42 3.139 10.068 5.990 1.00 0.00 C ATOM 637 OH TYR A 42 4.019 9.669 6.945 1.00 0.00 O ATOM 0 H TYR A 42 -2.235 9.750 4.345 1.00 0.00 H new ATOM 0 HA TYR A 42 -1.306 12.474 4.850 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -0.301 10.530 2.701 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.188 12.206 2.859 1.00 0.00 H new ATOM 0 HD1 TYR A 42 1.732 12.910 4.709 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.615 8.808 4.082 1.00 0.00 H new ATOM 0 HE1 TYR A 42 3.571 12.180 6.211 1.00 0.00 H new ATOM 0 HE2 TYR A 42 2.543 8.056 5.447 1.00 0.00 H new ATOM 0 HH TYR A 42 3.656 8.893 7.420 1.00 0.00 H new ATOM 647 N PRO A 43 -2.421 13.193 2.519 1.00 0.00 N ATOM 648 CA PRO A 43 -3.188 13.465 1.311 1.00 0.00 C ATOM 649 C PRO A 43 -2.606 12.565 0.208 1.00 0.00 C ATOM 650 O PRO A 43 -1.389 12.418 0.111 1.00 0.00 O ATOM 651 CB PRO A 43 -2.992 14.959 1.032 1.00 0.00 C ATOM 652 CG PRO A 43 -1.654 15.288 1.700 1.00 0.00 C ATOM 653 CD PRO A 43 -1.623 14.350 2.908 1.00 0.00 C ATOM 0 HA PRO A 43 -4.255 13.255 1.383 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -2.965 15.165 -0.038 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -3.804 15.553 1.451 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -0.814 15.107 1.029 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -1.602 16.334 2.002 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -0.602 14.059 3.153 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -2.037 14.834 3.792 1.00 0.00 H new ATOM 661 N LYS A 44 -3.441 11.965 -0.647 1.00 0.00 N ATOM 662 CA LYS A 44 -3.011 10.914 -1.571 1.00 0.00 C ATOM 663 C LYS A 44 -1.885 11.314 -2.534 1.00 0.00 C ATOM 664 O LYS A 44 -1.097 10.461 -2.928 1.00 0.00 O ATOM 665 CB LYS A 44 -4.247 10.375 -2.303 1.00 0.00 C ATOM 666 CG LYS A 44 -5.097 11.483 -2.951 1.00 0.00 C ATOM 667 CD LYS A 44 -6.359 10.952 -3.628 1.00 0.00 C ATOM 668 CE LYS A 44 -7.270 10.088 -2.742 1.00 0.00 C ATOM 669 NZ LYS A 44 -7.780 10.816 -1.568 1.00 0.00 N ATOM 0 H LYS A 44 -4.432 12.195 -0.717 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.551 10.125 -0.976 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -3.928 9.673 -3.073 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -4.864 9.817 -1.599 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -5.379 12.209 -2.188 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.492 12.013 -3.687 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.937 11.800 -3.996 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -6.064 10.365 -4.498 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.111 9.729 -3.335 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -6.717 9.210 -2.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -8.388 10.186 -1.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.981 11.137 -0.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -8.332 11.640 -1.883 1.00 0.00 H new ATOM 683 N GLY A 45 -1.763 12.606 -2.857 1.00 0.00 N ATOM 684 CA GLY A 45 -0.711 13.142 -3.713 1.00 0.00 C ATOM 685 C GLY A 45 0.621 13.363 -2.991 1.00 0.00 C ATOM 686 O GLY A 45 1.566 13.833 -3.618 1.00 0.00 O ATOM 0 H GLY A 45 -2.409 13.320 -2.521 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.552 12.460 -4.548 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.046 14.089 -4.135 1.00 0.00 H new ATOM 690 N ARG A 46 0.724 13.051 -1.690 1.00 0.00 N ATOM 691 CA ARG A 46 1.933 13.196 -0.891 1.00 0.00 C ATOM 692 C ARG A 46 3.106 12.406 -1.455 1.00 0.00 C ATOM 693 O ARG A 46 4.254 12.826 -1.302 1.00 0.00 O ATOM 694 CB ARG A 46 1.591 12.674 0.513 1.00 0.00 C ATOM 695 CG ARG A 46 2.783 12.467 1.445 1.00 0.00 C ATOM 696 CD ARG A 46 3.369 13.792 1.924 1.00 0.00 C ATOM 697 NE ARG A 46 4.631 13.570 2.639 1.00 0.00 N ATOM 698 CZ ARG A 46 5.841 13.426 2.076 1.00 0.00 C ATOM 699 NH1 ARG A 46 6.022 13.465 0.754 1.00 0.00 N ATOM 700 NH2 ARG A 46 6.902 13.227 2.853 1.00 0.00 N ATOM 0 H ARG A 46 -0.061 12.680 -1.156 1.00 0.00 H new ATOM 0 HA ARG A 46 2.241 14.242 -0.885 1.00 0.00 H new ATOM 0 HB2 ARG A 46 0.901 13.374 0.984 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.063 11.726 0.411 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.472 11.875 2.306 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.553 11.896 0.927 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.538 14.450 1.072 1.00 0.00 H new ATOM 0 HD3 ARG A 46 2.657 14.295 2.579 1.00 0.00 H new ATOM 0 HE ARG A 46 4.585 13.521 3.657 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.225 13.608 0.134 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.958 13.351 0.364 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.792 13.185 3.866 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.826 13.116 2.436 1.00 0.00 H new ATOM 714 N SER A 47 2.817 11.230 -2.013 1.00 0.00 N ATOM 715 CA SER A 47 3.786 10.216 -2.345 1.00 0.00 C ATOM 716 C SER A 47 3.421 9.559 -3.671 1.00 0.00 C ATOM 717 O SER A 47 2.244 9.479 -4.030 1.00 0.00 O ATOM 718 CB SER A 47 3.836 9.247 -1.149 1.00 0.00 C ATOM 719 OG SER A 47 3.983 7.889 -1.510 1.00 0.00 O ATOM 0 H SER A 47 1.863 10.959 -2.250 1.00 0.00 H new ATOM 0 HA SER A 47 4.786 10.622 -2.501 1.00 0.00 H new ATOM 0 HB2 SER A 47 4.665 9.531 -0.500 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.922 9.360 -0.566 1.00 0.00 H new ATOM 0 HG SER A 47 4.761 7.511 -1.050 1.00 0.00 H new ATOM 725 N VAL A 48 4.440 9.076 -4.384 1.00 0.00 N ATOM 726 CA VAL A 48 4.296 8.467 -5.693 1.00 0.00 C ATOM 727 C VAL A 48 3.571 7.132 -5.550 1.00 0.00 C ATOM 728 O VAL A 48 2.519 6.926 -6.152 1.00 0.00 O ATOM 729 CB VAL A 48 5.666 8.294 -6.386 1.00 0.00 C ATOM 730 CG1 VAL A 48 5.411 7.959 -7.861 1.00 0.00 C ATOM 731 CG2 VAL A 48 6.565 9.538 -6.281 1.00 0.00 C ATOM 0 H VAL A 48 5.405 9.101 -4.055 1.00 0.00 H new ATOM 0 HA VAL A 48 3.703 9.125 -6.328 1.00 0.00 H new ATOM 0 HB VAL A 48 6.201 7.492 -5.878 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.364 7.831 -8.375 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.835 7.036 -7.930 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.853 8.771 -8.327 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.511 9.347 -6.789 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.067 10.387 -6.748 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.755 9.762 -5.231 1.00 0.00 H new ATOM 741 N VAL A 49 4.114 6.229 -4.729 1.00 0.00 N ATOM 742 CA VAL A 49 3.540 4.909 -4.513 1.00 0.00 C ATOM 743 C VAL A 49 2.117 5.041 -3.955 1.00 0.00 C ATOM 744 O VAL A 49 1.227 4.306 -4.378 1.00 0.00 O ATOM 745 CB VAL A 49 4.465 4.066 -3.611 1.00 0.00 C ATOM 746 CG1 VAL A 49 5.918 4.044 -4.107 1.00 0.00 C ATOM 747 CG2 VAL A 49 4.515 4.598 -2.181 1.00 0.00 C ATOM 0 H VAL A 49 4.967 6.399 -4.196 1.00 0.00 H new ATOM 0 HA VAL A 49 3.461 4.379 -5.462 1.00 0.00 H new ATOM 0 HB VAL A 49 4.034 3.065 -3.644 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.523 3.436 -3.434 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.954 3.619 -5.110 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.310 5.061 -4.129 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.178 3.973 -1.583 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.889 5.622 -2.187 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.514 4.580 -1.751 1.00 0.00 H new ATOM 757 N CYS A 50 1.888 6.010 -3.057 1.00 0.00 N ATOM 758 CA CYS A 50 0.596 6.273 -2.446 1.00 0.00 C ATOM 759 C CYS A 50 -0.379 6.820 -3.502 1.00 0.00 C ATOM 760 O CYS A 50 -1.557 6.451 -3.510 1.00 0.00 O ATOM 761 CB CYS A 50 0.807 7.275 -1.303 1.00 0.00 C ATOM 762 SG CYS A 50 -0.634 8.062 -0.536 1.00 0.00 S ATOM 0 H CYS A 50 2.620 6.643 -2.734 1.00 0.00 H new ATOM 0 HA CYS A 50 0.162 5.357 -2.045 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.358 6.762 -0.515 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.453 8.069 -1.678 1.00 0.00 H new ATOM 764 N SER A 51 0.116 7.621 -4.457 1.00 0.00 N ATOM 765 CA SER A 51 -0.674 8.067 -5.594 1.00 0.00 C ATOM 766 C SER A 51 -1.073 6.877 -6.473 1.00 0.00 C ATOM 767 O SER A 51 -2.142 6.912 -7.082 1.00 0.00 O ATOM 768 CB SER A 51 0.085 9.108 -6.427 1.00 0.00 C ATOM 769 OG SER A 51 0.448 10.237 -5.657 1.00 0.00 O ATOM 0 H SER A 51 1.074 7.972 -4.455 1.00 0.00 H new ATOM 0 HA SER A 51 -1.577 8.537 -5.205 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.981 8.652 -6.848 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.536 9.425 -7.265 1.00 0.00 H new ATOM 0 HG SER A 51 1.342 10.101 -5.278 1.00 0.00 H new ATOM 775 N GLY A 52 -0.273 5.797 -6.496 1.00 0.00 N ATOM 776 CA GLY A 52 -0.683 4.567 -7.175 1.00 0.00 C ATOM 777 C GLY A 52 -1.743 3.807 -6.381 1.00 0.00 C ATOM 778 O GLY A 52 -2.524 3.024 -6.920 1.00 0.00 O ATOM 0 H GLY A 52 0.647 5.755 -6.058 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.074 4.810 -8.163 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.187 3.927 -7.325 1.00 0.00 H new ATOM 782 N PHE A 53 -1.753 4.027 -5.074 1.00 0.00 N ATOM 783 CA PHE A 53 -2.471 3.265 -4.100 1.00 0.00 C ATOM 784 C PHE A 53 -3.911 3.637 -3.963 1.00 0.00 C ATOM 785 O PHE A 53 -4.784 2.782 -3.989 1.00 0.00 O ATOM 786 CB PHE A 53 -1.761 3.484 -2.781 1.00 0.00 C ATOM 787 CG PHE A 53 -1.462 2.149 -2.263 1.00 0.00 C ATOM 788 CD1 PHE A 53 -0.446 1.459 -2.923 1.00 0.00 C ATOM 789 CD2 PHE A 53 -2.325 1.526 -1.364 1.00 0.00 C ATOM 790 CE1 PHE A 53 -0.280 0.106 -2.681 1.00 0.00 C ATOM 791 CE2 PHE A 53 -2.092 0.191 -1.055 1.00 0.00 C ATOM 792 CZ PHE A 53 -1.091 -0.515 -1.726 1.00 0.00 C ATOM 0 H PHE A 53 -1.224 4.792 -4.655 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.479 2.222 -4.417 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -0.848 4.063 -2.920 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.390 4.041 -2.086 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.204 1.974 -3.615 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -3.150 2.064 -0.921 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.464 -0.461 -3.221 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -2.684 -0.300 -0.297 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.940 -1.561 -1.503 1.00 0.00 H new ATOM 802 N GLU A 54 -4.155 4.926 -3.806 1.00 0.00 N ATOM 803 CA GLU A 54 -5.512 5.415 -3.789 1.00 0.00 C ATOM 804 C GLU A 54 -6.179 5.192 -5.153 1.00 0.00 C ATOM 805 O GLU A 54 -7.397 5.040 -5.200 1.00 0.00 O ATOM 806 CB GLU A 54 -5.525 6.839 -3.238 1.00 0.00 C ATOM 807 CG GLU A 54 -5.314 6.760 -1.709 1.00 0.00 C ATOM 808 CD GLU A 54 -6.649 6.757 -0.962 1.00 0.00 C ATOM 809 OE1 GLU A 54 -7.400 5.772 -1.131 1.00 0.00 O ATOM 810 OE2 GLU A 54 -6.916 7.763 -0.266 1.00 0.00 O ATOM 0 H GLU A 54 -3.437 5.641 -3.690 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.143 4.847 -3.105 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.738 7.434 -3.701 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.472 7.328 -3.468 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -4.756 5.857 -1.463 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -4.712 7.607 -1.379 1.00 0.00 H new ATOM 817 N LYS A 55 -5.403 5.044 -6.241 1.00 0.00 N ATOM 818 CA LYS A 55 -5.918 4.561 -7.515 1.00 0.00 C ATOM 819 C LYS A 55 -6.265 3.066 -7.422 1.00 0.00 C ATOM 820 O LYS A 55 -7.316 2.662 -7.921 1.00 0.00 O ATOM 821 CB LYS A 55 -4.923 4.871 -8.644 1.00 0.00 C ATOM 822 CG LYS A 55 -5.562 4.656 -10.022 1.00 0.00 C ATOM 823 CD LYS A 55 -4.580 5.012 -11.146 1.00 0.00 C ATOM 824 CE LYS A 55 -5.231 4.895 -12.530 1.00 0.00 C ATOM 825 NZ LYS A 55 -5.604 3.507 -12.857 1.00 0.00 N ATOM 0 H LYS A 55 -4.406 5.258 -6.253 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.843 5.085 -7.754 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.579 5.902 -8.557 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.045 4.233 -8.544 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.875 3.617 -10.123 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -6.459 5.269 -10.110 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -4.215 6.029 -11.001 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.714 4.352 -11.095 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.119 5.526 -12.566 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.542 5.272 -13.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.977 3.467 -13.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.766 2.896 -12.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.332 3.177 -12.192 1.00 0.00 H new ATOM 839 N GLU A 56 -5.438 2.248 -6.752 1.00 0.00 N ATOM 840 CA GLU A 56 -5.769 0.858 -6.430 1.00 0.00 C ATOM 841 C GLU A 56 -7.087 0.808 -5.645 1.00 0.00 C ATOM 842 O GLU A 56 -7.998 0.071 -6.009 1.00 0.00 O ATOM 843 CB GLU A 56 -4.640 0.145 -5.640 1.00 0.00 C ATOM 844 CG GLU A 56 -4.713 -1.377 -5.803 1.00 0.00 C ATOM 845 CD GLU A 56 -4.199 -2.070 -4.544 1.00 0.00 C ATOM 846 OE1 GLU A 56 -5.025 -2.194 -3.609 1.00 0.00 O ATOM 847 OE2 GLU A 56 -3.014 -2.469 -4.531 1.00 0.00 O ATOM 0 H GLU A 56 -4.518 2.537 -6.419 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.881 0.321 -7.372 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.671 0.503 -5.987 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.716 0.403 -4.584 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.742 -1.680 -5.999 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.121 -1.686 -6.664 1.00 0.00 H new ATOM 854 N GLU A 57 -7.200 1.592 -4.570 1.00 0.00 N ATOM 855 CA GLU A 57 -8.362 1.630 -3.691 1.00 0.00 C ATOM 856 C GLU A 57 -9.602 2.126 -4.443 1.00 0.00 C ATOM 857 O GLU A 57 -10.680 1.565 -4.261 1.00 0.00 O ATOM 858 CB GLU A 57 -8.069 2.496 -2.457 1.00 0.00 C ATOM 859 CG GLU A 57 -7.024 1.846 -1.536 1.00 0.00 C ATOM 860 CD GLU A 57 -6.537 2.809 -0.454 1.00 0.00 C ATOM 861 OE1 GLU A 57 -7.263 2.958 0.552 1.00 0.00 O ATOM 862 OE2 GLU A 57 -5.424 3.356 -0.634 1.00 0.00 O ATOM 0 H GLU A 57 -6.462 2.235 -4.282 1.00 0.00 H new ATOM 0 HA GLU A 57 -8.573 0.617 -3.350 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.712 3.475 -2.777 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -8.992 2.659 -1.901 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.454 0.961 -1.067 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.175 1.510 -2.131 1.00 0.00 H new ATOM 869 N GLU A 58 -9.448 3.121 -5.324 1.00 0.00 N ATOM 870 CA GLU A 58 -10.495 3.564 -6.236 1.00 0.00 C ATOM 871 C GLU A 58 -10.933 2.409 -7.138 1.00 0.00 C ATOM 872 O GLU A 58 -12.133 2.160 -7.263 1.00 0.00 O ATOM 873 CB GLU A 58 -10.011 4.781 -7.039 1.00 0.00 C ATOM 874 CG GLU A 58 -11.082 5.337 -7.985 1.00 0.00 C ATOM 875 CD GLU A 58 -10.562 6.574 -8.716 1.00 0.00 C ATOM 876 OE1 GLU A 58 -9.811 6.380 -9.699 1.00 0.00 O ATOM 877 OE2 GLU A 58 -10.913 7.691 -8.278 1.00 0.00 O ATOM 0 H GLU A 58 -8.578 3.645 -5.421 1.00 0.00 H new ATOM 0 HA GLU A 58 -11.370 3.877 -5.666 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.701 5.565 -6.349 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -9.132 4.501 -7.619 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.368 4.574 -8.708 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.978 5.592 -7.419 1.00 0.00 H new ATOM 884 N GLU A 59 -9.978 1.675 -7.727 1.00 0.00 N ATOM 885 CA GLU A 59 -10.279 0.477 -8.498 1.00 0.00 C ATOM 886 C GLU A 59 -11.079 -0.511 -7.653 1.00 0.00 C ATOM 887 O GLU A 59 -12.102 -1.006 -8.106 1.00 0.00 O ATOM 888 CB GLU A 59 -9.022 -0.153 -9.129 1.00 0.00 C ATOM 889 CG GLU A 59 -9.402 -1.347 -10.018 1.00 0.00 C ATOM 890 CD GLU A 59 -8.197 -1.966 -10.728 1.00 0.00 C ATOM 891 OE1 GLU A 59 -7.329 -2.517 -10.014 1.00 0.00 O ATOM 892 OE2 GLU A 59 -8.174 -1.918 -11.980 1.00 0.00 O ATOM 0 H GLU A 59 -8.984 1.899 -7.679 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.903 0.769 -9.342 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.493 0.594 -9.721 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -8.340 -0.480 -8.344 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.888 -2.108 -9.408 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.129 -1.023 -10.762 1.00 0.00 H new ATOM 899 N ASN A 60 -10.654 -0.767 -6.418 1.00 0.00 N ATOM 900 CA ASN A 60 -11.316 -1.730 -5.553 1.00 0.00 C ATOM 901 C ASN A 60 -12.749 -1.297 -5.259 1.00 0.00 C ATOM 902 O ASN A 60 -13.677 -2.084 -5.445 1.00 0.00 O ATOM 903 CB ASN A 60 -10.574 -1.908 -4.228 1.00 0.00 C ATOM 904 CG ASN A 60 -9.307 -2.755 -4.303 1.00 0.00 C ATOM 905 OD1 ASN A 60 -9.104 -3.652 -3.489 1.00 0.00 O ATOM 906 ND2 ASN A 60 -8.381 -2.454 -5.203 1.00 0.00 N ATOM 0 H ASN A 60 -9.845 -0.313 -5.994 1.00 0.00 H new ATOM 0 HA ASN A 60 -11.317 -2.681 -6.085 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.311 -0.923 -3.842 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -11.254 -2.362 -3.507 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -7.500 -2.967 -5.219 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -8.550 -1.709 -5.879 1.00 0.00 H new ATOM 913 N LEU A 61 -12.936 -0.062 -4.779 1.00 0.00 N ATOM 914 CA LEU A 61 -14.241 0.405 -4.337 1.00 0.00 C ATOM 915 C LEU A 61 -15.205 0.522 -5.515 1.00 0.00 C ATOM 916 O LEU A 61 -16.377 0.191 -5.358 1.00 0.00 O ATOM 917 CB LEU A 61 -14.136 1.677 -3.469 1.00 0.00 C ATOM 918 CG LEU A 61 -13.845 3.004 -4.203 1.00 0.00 C ATOM 919 CD1 LEU A 61 -15.125 3.732 -4.647 1.00 0.00 C ATOM 920 CD2 LEU A 61 -13.058 3.955 -3.289 1.00 0.00 C ATOM 0 H LEU A 61 -12.192 0.630 -4.689 1.00 0.00 H new ATOM 0 HA LEU A 61 -14.672 -0.345 -3.674 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -15.071 1.791 -2.921 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -13.350 1.519 -2.730 1.00 0.00 H new ATOM 0 HG LEU A 61 -13.269 2.740 -5.090 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -14.859 4.658 -5.157 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -15.690 3.093 -5.326 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -15.735 3.962 -3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -12.859 4.887 -3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -13.642 4.164 -2.393 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -12.114 3.490 -3.006 1.00 0.00 H new ATOM 932 N THR A 62 -14.724 0.927 -6.700 1.00 0.00 N ATOM 933 CA THR A 62 -15.560 0.989 -7.890 1.00 0.00 C ATOM 934 C THR A 62 -15.866 -0.409 -8.427 1.00 0.00 C ATOM 935 O THR A 62 -16.948 -0.626 -8.972 1.00 0.00 O ATOM 936 CB THR A 62 -14.919 1.908 -8.943 1.00 0.00 C ATOM 937 OG1 THR A 62 -15.929 2.595 -9.651 1.00 0.00 O ATOM 938 CG2 THR A 62 -13.977 1.258 -9.957 1.00 0.00 C ATOM 0 H THR A 62 -13.757 1.215 -6.851 1.00 0.00 H new ATOM 0 HA THR A 62 -16.522 1.426 -7.624 1.00 0.00 H new ATOM 0 HB THR A 62 -14.284 2.568 -8.352 1.00 0.00 H new ATOM 0 HG1 THR A 62 -15.518 3.181 -10.320 1.00 0.00 H new ATOM 0 HG21 THR A 62 -13.596 2.018 -10.639 1.00 0.00 H new ATOM 0 HG22 THR A 62 -13.143 0.791 -9.432 1.00 0.00 H new ATOM 0 HG23 THR A 62 -14.519 0.500 -10.523 1.00 0.00 H new ATOM 946 N ARG A 63 -14.927 -1.351 -8.275 1.00 0.00 N ATOM 947 CA ARG A 63 -15.144 -2.752 -8.641 1.00 0.00 C ATOM 948 C ARG A 63 -16.017 -3.480 -7.614 1.00 0.00 C ATOM 949 O ARG A 63 -16.573 -4.536 -7.906 1.00 0.00 O ATOM 950 CB ARG A 63 -13.783 -3.432 -8.802 1.00 0.00 C ATOM 951 CG ARG A 63 -13.833 -4.786 -9.533 1.00 0.00 C ATOM 952 CD ARG A 63 -12.479 -5.125 -10.179 1.00 0.00 C ATOM 953 NE ARG A 63 -12.155 -4.185 -11.265 1.00 0.00 N ATOM 954 CZ ARG A 63 -10.955 -3.985 -11.825 1.00 0.00 C ATOM 955 NH1 ARG A 63 -9.916 -4.765 -11.527 1.00 0.00 N ATOM 956 NH2 ARG A 63 -10.787 -2.985 -12.689 1.00 0.00 N ATOM 0 H ARG A 63 -13.999 -1.162 -7.896 1.00 0.00 H new ATOM 0 HA ARG A 63 -15.686 -2.795 -9.586 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -13.118 -2.762 -9.347 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -13.346 -3.581 -7.815 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -14.109 -5.571 -8.829 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -14.607 -4.759 -10.300 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -11.695 -5.095 -9.423 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -12.505 -6.142 -10.571 1.00 0.00 H new ATOM 0 HE ARG A 63 -12.927 -3.627 -11.630 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -10.027 -5.530 -10.862 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -9.010 -4.597 -11.964 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -11.571 -2.375 -12.922 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -9.875 -2.829 -13.118 1.00 0.00 H new ATOM 970 N LYS A 64 -16.121 -2.899 -6.415 1.00 0.00 N ATOM 971 CA LYS A 64 -16.794 -3.408 -5.225 1.00 0.00 C ATOM 972 C LYS A 64 -16.218 -4.773 -4.827 1.00 0.00 C ATOM 973 O LYS A 64 -16.939 -5.668 -4.391 1.00 0.00 O ATOM 974 CB LYS A 64 -18.324 -3.364 -5.436 1.00 0.00 C ATOM 975 CG LYS A 64 -19.143 -3.325 -4.135 1.00 0.00 C ATOM 976 CD LYS A 64 -19.012 -1.984 -3.389 1.00 0.00 C ATOM 977 CE LYS A 64 -19.962 -1.909 -2.189 1.00 0.00 C ATOM 978 NZ LYS A 64 -19.607 -2.881 -1.138 1.00 0.00 N ATOM 0 H LYS A 64 -15.701 -1.986 -6.242 1.00 0.00 H new ATOM 0 HA LYS A 64 -16.603 -2.770 -4.362 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -18.571 -2.486 -6.033 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -18.624 -4.238 -6.014 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -20.193 -3.506 -4.366 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -18.816 -4.133 -3.481 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -17.985 -1.856 -3.049 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -19.226 -1.164 -4.074 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -19.941 -0.902 -1.773 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -20.983 -2.094 -2.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -20.255 -2.772 -0.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -19.685 -3.846 -1.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -18.631 -2.711 -0.823 1.00 0.00 H new ATOM 992 N SER A 65 -14.901 -4.936 -4.992 1.00 0.00 N ATOM 993 CA SER A 65 -14.170 -6.157 -4.709 1.00 0.00 C ATOM 994 C SER A 65 -12.700 -5.814 -4.471 1.00 0.00 C ATOM 995 O SER A 65 -12.288 -4.660 -4.579 1.00 0.00 O ATOM 996 CB SER A 65 -14.318 -7.120 -5.899 1.00 0.00 C ATOM 997 OG SER A 65 -13.774 -8.396 -5.616 1.00 0.00 O ATOM 0 H SER A 65 -14.301 -4.188 -5.340 1.00 0.00 H new ATOM 0 HA SER A 65 -14.567 -6.640 -3.816 1.00 0.00 H new ATOM 0 HB2 SER A 65 -15.373 -7.223 -6.153 1.00 0.00 H new ATOM 0 HB3 SER A 65 -13.819 -6.698 -6.772 1.00 0.00 H new ATOM 0 HG SER A 65 -13.653 -8.893 -6.452 1.00 0.00 H new ATOM 1003 N ALA A 66 -11.904 -6.854 -4.220 1.00 0.00 N ATOM 1004 CA ALA A 66 -10.451 -6.835 -4.183 1.00 0.00 C ATOM 1005 C ALA A 66 -9.843 -7.435 -5.456 1.00 0.00 C ATOM 1006 O ALA A 66 -8.655 -7.742 -5.519 1.00 0.00 O ATOM 1007 CB ALA A 66 -9.942 -7.495 -2.897 1.00 0.00 C ATOM 0 H ALA A 66 -12.282 -7.781 -4.027 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.115 -5.798 -4.162 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -8.852 -7.473 -2.884 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.326 -6.953 -2.033 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.285 -8.529 -2.858 1.00 0.00 H new ATOM 1013 N SER A 67 -10.673 -7.569 -6.490 1.00 0.00 N ATOM 1014 CA SER A 67 -10.401 -8.089 -7.826 1.00 0.00 C ATOM 1015 C SER A 67 -9.519 -7.135 -8.659 1.00 0.00 C ATOM 1016 O SER A 67 -9.768 -6.920 -9.845 1.00 0.00 O ATOM 1017 CB SER A 67 -11.747 -8.374 -8.512 1.00 0.00 C ATOM 1018 OG SER A 67 -12.542 -9.256 -7.732 1.00 0.00 O ATOM 0 H SER A 67 -11.649 -7.287 -6.402 1.00 0.00 H new ATOM 0 HA SER A 67 -9.827 -9.012 -7.744 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.284 -7.438 -8.669 1.00 0.00 H new ATOM 0 HB3 SER A 67 -11.572 -8.810 -9.495 1.00 0.00 H new ATOM 0 HG SER A 67 -13.387 -9.433 -8.197 1.00 0.00 H new ATOM 1024 N LYS A 68 -8.522 -6.510 -8.028 1.00 0.00 N ATOM 1025 CA LYS A 68 -7.593 -5.553 -8.614 1.00 0.00 C ATOM 1026 C LYS A 68 -6.790 -6.171 -9.759 1.00 0.00 C ATOM 1027 O LYS A 68 -6.390 -7.333 -9.699 1.00 0.00 O ATOM 1028 CB LYS A 68 -6.699 -4.969 -7.507 1.00 0.00 C ATOM 1029 CG LYS A 68 -5.793 -6.009 -6.814 1.00 0.00 C ATOM 1030 CD LYS A 68 -5.299 -5.546 -5.438 1.00 0.00 C ATOM 1031 CE LYS A 68 -6.454 -5.489 -4.429 1.00 0.00 C ATOM 1032 NZ LYS A 68 -5.990 -5.085 -3.094 1.00 0.00 N ATOM 0 H LYS A 68 -8.335 -6.671 -7.038 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.156 -4.734 -9.062 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.073 -4.186 -7.935 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.332 -4.496 -6.756 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.342 -6.944 -6.702 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.934 -6.218 -7.452 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.529 -6.227 -5.076 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.839 -4.562 -5.525 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.209 -4.786 -4.780 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.932 -6.467 -4.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.811 -4.893 -2.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.421 -5.850 -2.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.410 -4.226 -3.174 1.00 0.00 H new TER 1046 LYS A 68