USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 575 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 49 GLN : amide:sc= 0.346 K(o=1.4,f=-1.8) USER MOD Set 1.2: A 57 ASN : amide:sc= 1.05 K(o=1.4,f=-0.95) USER MOD Set 2.1: A 39 HIS : no HE2:sc= 1.04 K(o=1.1,f=-3.6!) USER MOD Set 2.2: A 63 HIS : no HE2:sc= 0.0894 K(o=1.1,f=-2!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 30:sc= -0.0128 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0386 USER MOD Single : A 13 GLN : amide:sc= -0.0162 X(o=-0.016,f=0) USER MOD Single : A 14 LYS NZ :NH3+ -127:sc= -0.0141 (180deg=-0.86) USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 90:sc= -0.19 USER MOD Single : A 26 HIS : no HE2:sc= -1.84 K(o=-1.8,f=-6.7!) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 160:sc= 0.742 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.297 USER MOD Single : A 64 SER OG : rot 180:sc= 0.216 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc=-0.00894 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -100:sc= 1.4 USER MOD Single : A 80 HIS : no HD1:sc= -1.06 X(o=-1.1,f=-0.96) USER MOD ----------------------------------------------------------------- ATOM 65 N LYS A 5 0.748 -8.350 -11.280 1.00 0.00 N ATOM 66 CA LYS A 5 1.508 -8.757 -10.105 1.00 0.00 C ATOM 67 C LYS A 5 0.487 -9.149 -9.029 1.00 0.00 C ATOM 68 O LYS A 5 0.255 -8.442 -8.050 1.00 0.00 O ATOM 69 CB LYS A 5 2.475 -7.637 -9.680 1.00 0.00 C ATOM 70 CG LYS A 5 3.974 -7.948 -9.804 1.00 0.00 C ATOM 71 CD LYS A 5 4.551 -7.641 -11.200 1.00 0.00 C ATOM 72 CE LYS A 5 5.857 -6.820 -11.138 1.00 0.00 C ATOM 73 NZ LYS A 5 5.735 -5.533 -11.855 1.00 0.00 N ATOM 0 HA LYS A 5 2.148 -9.617 -10.301 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.258 -6.753 -10.279 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.264 -7.378 -8.642 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.520 -7.370 -9.058 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.139 -9.001 -9.575 1.00 0.00 H new ATOM 0 HD2 LYS A 5 4.740 -8.578 -11.724 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.810 -7.094 -11.783 1.00 0.00 H new ATOM 0 HE2 LYS A 5 6.118 -6.632 -10.097 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.672 -7.401 -11.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.633 -5.013 -11.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.511 -5.712 -12.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 4.975 -4.967 -11.426 1.00 0.00 H new ATOM 87 N TYR A 6 -0.203 -10.259 -9.269 1.00 0.00 N ATOM 88 CA TYR A 6 -1.170 -10.787 -8.325 1.00 0.00 C ATOM 89 C TYR A 6 -0.413 -11.346 -7.116 1.00 0.00 C ATOM 90 O TYR A 6 0.257 -12.366 -7.256 1.00 0.00 O ATOM 91 CB TYR A 6 -2.012 -11.851 -9.033 1.00 0.00 C ATOM 92 CG TYR A 6 -2.870 -11.306 -10.157 1.00 0.00 C ATOM 93 CD1 TYR A 6 -4.029 -10.566 -9.855 1.00 0.00 C ATOM 94 CD2 TYR A 6 -2.516 -11.536 -11.499 1.00 0.00 C ATOM 95 CE1 TYR A 6 -4.837 -10.070 -10.892 1.00 0.00 C ATOM 96 CE2 TYR A 6 -3.342 -11.065 -12.534 1.00 0.00 C ATOM 97 CZ TYR A 6 -4.500 -10.330 -12.231 1.00 0.00 C ATOM 98 OH TYR A 6 -5.307 -9.892 -13.237 1.00 0.00 O ATOM 0 H TYR A 6 -0.106 -10.813 -10.120 1.00 0.00 H new ATOM 0 HA TYR A 6 -1.848 -10.013 -7.965 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.349 -12.618 -9.434 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.656 -12.338 -8.300 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -4.297 -10.379 -8.826 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.610 -12.074 -11.734 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.717 -9.489 -10.660 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.086 -11.268 -13.563 1.00 0.00 H new ATOM 0 HH TYR A 6 -4.926 -10.156 -14.100 1.00 0.00 H new ATOM 108 N TYR A 7 -0.484 -10.685 -5.955 1.00 0.00 N ATOM 109 CA TYR A 7 0.236 -11.099 -4.752 1.00 0.00 C ATOM 110 C TYR A 7 -0.740 -11.557 -3.668 1.00 0.00 C ATOM 111 O TYR A 7 -1.835 -11.011 -3.536 1.00 0.00 O ATOM 112 CB TYR A 7 1.125 -9.954 -4.262 1.00 0.00 C ATOM 113 CG TYR A 7 2.305 -9.651 -5.160 1.00 0.00 C ATOM 114 CD1 TYR A 7 3.349 -10.587 -5.273 1.00 0.00 C ATOM 115 CD2 TYR A 7 2.431 -8.387 -5.765 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.497 -10.280 -6.023 1.00 0.00 C ATOM 117 CE2 TYR A 7 3.610 -8.059 -6.455 1.00 0.00 C ATOM 118 CZ TYR A 7 4.625 -9.014 -6.616 1.00 0.00 C ATOM 119 OH TYR A 7 5.766 -8.684 -7.286 1.00 0.00 O ATOM 0 H TYR A 7 -1.046 -9.844 -5.826 1.00 0.00 H new ATOM 0 HA TYR A 7 0.875 -11.949 -4.992 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.517 -9.054 -4.165 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.495 -10.198 -3.266 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.268 -11.545 -4.781 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.625 -7.672 -5.699 1.00 0.00 H new ATOM 0 HE1 TYR A 7 5.278 -11.016 -6.143 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.736 -7.067 -6.863 1.00 0.00 H new ATOM 0 HH TYR A 7 6.162 -9.492 -7.674 1.00 0.00 H new ATOM 129 N THR A 8 -0.372 -12.601 -2.918 1.00 0.00 N ATOM 130 CA THR A 8 -1.230 -13.208 -1.913 1.00 0.00 C ATOM 131 C THR A 8 -1.218 -12.379 -0.631 1.00 0.00 C ATOM 132 O THR A 8 -0.182 -11.821 -0.262 1.00 0.00 O ATOM 133 CB THR A 8 -0.745 -14.641 -1.649 1.00 0.00 C ATOM 134 OG1 THR A 8 0.648 -14.636 -1.427 1.00 0.00 O ATOM 135 CG2 THR A 8 -1.007 -15.555 -2.845 1.00 0.00 C ATOM 0 H THR A 8 0.541 -13.048 -2.998 1.00 0.00 H new ATOM 0 HA THR A 8 -2.258 -13.239 -2.274 1.00 0.00 H new ATOM 0 HB THR A 8 -1.290 -15.010 -0.780 1.00 0.00 H new ATOM 0 HG1 THR A 8 0.955 -15.551 -1.257 1.00 0.00 H new ATOM 0 HG21 THR A 8 -0.650 -16.560 -2.620 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.077 -15.587 -3.051 1.00 0.00 H new ATOM 0 HG23 THR A 8 -0.481 -15.170 -3.719 1.00 0.00 H new ATOM 143 N LEU A 9 -2.364 -12.336 0.057 1.00 0.00 N ATOM 144 CA LEU A 9 -2.583 -11.555 1.265 1.00 0.00 C ATOM 145 C LEU A 9 -1.449 -11.786 2.262 1.00 0.00 C ATOM 146 O LEU A 9 -0.838 -10.823 2.714 1.00 0.00 O ATOM 147 CB LEU A 9 -3.949 -11.913 1.873 1.00 0.00 C ATOM 148 CG LEU A 9 -5.161 -11.236 1.202 1.00 0.00 C ATOM 149 CD1 LEU A 9 -5.326 -9.784 1.661 1.00 0.00 C ATOM 150 CD2 LEU A 9 -5.143 -11.302 -0.330 1.00 0.00 C ATOM 0 H LEU A 9 -3.189 -12.864 -0.227 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.588 -10.494 1.014 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.081 -12.994 1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.941 -11.644 2.929 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.022 -11.817 1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.191 -9.342 1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -5.474 -9.758 2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.431 -9.217 1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.028 -10.804 -0.726 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.249 -10.805 -0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.140 -12.344 -0.649 1.00 0.00 H new ATOM 162 N GLU A 10 -1.136 -13.051 2.566 1.00 0.00 N ATOM 163 CA GLU A 10 -0.051 -13.397 3.478 1.00 0.00 C ATOM 164 C GLU A 10 1.255 -12.716 3.054 1.00 0.00 C ATOM 165 O GLU A 10 1.851 -11.969 3.823 1.00 0.00 O ATOM 166 CB GLU A 10 0.135 -14.926 3.552 1.00 0.00 C ATOM 167 CG GLU A 10 0.195 -15.428 5.004 1.00 0.00 C ATOM 168 CD GLU A 10 -1.165 -15.893 5.509 1.00 0.00 C ATOM 169 OE1 GLU A 10 -2.159 -15.216 5.171 1.00 0.00 O ATOM 170 OE2 GLU A 10 -1.177 -16.922 6.219 1.00 0.00 O ATOM 0 H GLU A 10 -1.629 -13.859 2.185 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.318 -13.036 4.471 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.688 -15.417 3.032 1.00 0.00 H new ATOM 0 HB3 GLU A 10 1.052 -15.205 3.033 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.907 -16.251 5.073 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.566 -14.630 5.647 1.00 0.00 H new ATOM 177 N GLU A 11 1.701 -12.981 1.824 1.00 0.00 N ATOM 178 CA GLU A 11 2.950 -12.450 1.289 1.00 0.00 C ATOM 179 C GLU A 11 2.973 -10.929 1.468 1.00 0.00 C ATOM 180 O GLU A 11 3.863 -10.364 2.103 1.00 0.00 O ATOM 181 CB GLU A 11 3.099 -12.878 -0.182 1.00 0.00 C ATOM 182 CG GLU A 11 4.452 -12.510 -0.806 1.00 0.00 C ATOM 183 CD GLU A 11 5.607 -13.291 -0.189 1.00 0.00 C ATOM 184 OE1 GLU A 11 6.059 -12.882 0.904 1.00 0.00 O ATOM 185 OE2 GLU A 11 5.998 -14.302 -0.809 1.00 0.00 O ATOM 0 H GLU A 11 1.197 -13.577 1.167 1.00 0.00 H new ATOM 0 HA GLU A 11 3.805 -12.853 1.831 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.960 -13.957 -0.251 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.303 -12.416 -0.766 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.419 -12.702 -1.878 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.630 -11.442 -0.679 1.00 0.00 H new ATOM 192 N ILE A 12 1.938 -10.253 0.974 1.00 0.00 N ATOM 193 CA ILE A 12 1.834 -8.810 1.113 1.00 0.00 C ATOM 194 C ILE A 12 1.908 -8.398 2.590 1.00 0.00 C ATOM 195 O ILE A 12 2.628 -7.467 2.941 1.00 0.00 O ATOM 196 CB ILE A 12 0.540 -8.319 0.459 1.00 0.00 C ATOM 197 CG1 ILE A 12 0.485 -8.685 -1.032 1.00 0.00 C ATOM 198 CG2 ILE A 12 0.456 -6.798 0.618 1.00 0.00 C ATOM 199 CD1 ILE A 12 -0.973 -8.744 -1.489 1.00 0.00 C ATOM 0 H ILE A 12 1.161 -10.686 0.474 1.00 0.00 H new ATOM 0 HA ILE A 12 2.676 -8.342 0.603 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.303 -8.804 0.950 1.00 0.00 H new ATOM 0 HG12 ILE A 12 1.032 -7.947 -1.619 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.969 -9.647 -1.199 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.462 -6.434 0.156 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.455 -6.542 1.678 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.315 -6.334 0.133 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.012 -9.004 -2.547 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.506 -9.499 -0.910 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.442 -7.772 -1.336 1.00 0.00 H new ATOM 211 N GLN A 13 1.196 -9.111 3.463 1.00 0.00 N ATOM 212 CA GLN A 13 1.203 -8.890 4.900 1.00 0.00 C ATOM 213 C GLN A 13 2.600 -9.088 5.505 1.00 0.00 C ATOM 214 O GLN A 13 2.898 -8.556 6.571 1.00 0.00 O ATOM 215 CB GLN A 13 0.105 -9.748 5.554 1.00 0.00 C ATOM 216 CG GLN A 13 -0.046 -9.537 7.070 1.00 0.00 C ATOM 217 CD GLN A 13 0.518 -10.700 7.880 1.00 0.00 C ATOM 218 OE1 GLN A 13 1.496 -10.560 8.609 1.00 0.00 O ATOM 219 NE2 GLN A 13 -0.105 -11.870 7.765 1.00 0.00 N ATOM 0 H GLN A 13 0.585 -9.876 3.178 1.00 0.00 H new ATOM 0 HA GLN A 13 0.964 -7.848 5.111 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.847 -9.527 5.072 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.322 -10.799 5.365 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.463 -8.617 7.358 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.101 -9.407 7.312 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.915 -11.958 7.152 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.228 -12.679 8.290 1.00 0.00 H new ATOM 228 N LYS A 14 3.480 -9.826 4.828 1.00 0.00 N ATOM 229 CA LYS A 14 4.865 -9.996 5.232 1.00 0.00 C ATOM 230 C LYS A 14 5.719 -8.834 4.699 1.00 0.00 C ATOM 231 O LYS A 14 6.669 -8.428 5.370 1.00 0.00 O ATOM 232 CB LYS A 14 5.357 -11.385 4.795 1.00 0.00 C ATOM 233 CG LYS A 14 4.509 -12.508 5.425 1.00 0.00 C ATOM 234 CD LYS A 14 4.915 -12.947 6.838 1.00 0.00 C ATOM 235 CE LYS A 14 6.185 -13.813 6.828 1.00 0.00 C ATOM 236 NZ LYS A 14 7.413 -13.026 7.048 1.00 0.00 N ATOM 0 H LYS A 14 3.242 -10.327 3.972 1.00 0.00 H new ATOM 0 HA LYS A 14 4.958 -9.959 6.317 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.315 -11.462 3.709 1.00 0.00 H new ATOM 0 HB3 LYS A 14 6.401 -11.510 5.084 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.470 -12.179 5.453 1.00 0.00 H new ATOM 0 HG3 LYS A 14 4.550 -13.378 4.770 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.082 -12.066 7.458 1.00 0.00 H new ATOM 0 HD3 LYS A 14 4.098 -13.507 7.293 1.00 0.00 H new ATOM 0 HE2 LYS A 14 6.105 -14.577 7.601 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.258 -14.333 5.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.093 -13.224 6.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.180 -12.012 7.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.833 -13.286 7.963 1.00 0.00 H new ATOM 250 N HIS A 15 5.367 -8.256 3.542 1.00 0.00 N ATOM 251 CA HIS A 15 6.001 -7.053 2.998 1.00 0.00 C ATOM 252 C HIS A 15 5.643 -5.794 3.811 1.00 0.00 C ATOM 253 O HIS A 15 4.994 -4.867 3.322 1.00 0.00 O ATOM 254 CB HIS A 15 5.647 -6.883 1.512 1.00 0.00 C ATOM 255 CG HIS A 15 6.475 -7.713 0.566 1.00 0.00 C ATOM 256 ND1 HIS A 15 7.656 -7.317 -0.020 1.00 0.00 N ATOM 257 CD2 HIS A 15 6.139 -8.927 0.031 1.00 0.00 C ATOM 258 CE1 HIS A 15 8.037 -8.289 -0.864 1.00 0.00 C ATOM 259 NE2 HIS A 15 7.143 -9.287 -0.873 1.00 0.00 N ATOM 0 H HIS A 15 4.620 -8.620 2.950 1.00 0.00 H new ATOM 0 HA HIS A 15 7.080 -7.181 3.080 1.00 0.00 H new ATOM 0 HB2 HIS A 15 4.596 -7.138 1.372 1.00 0.00 H new ATOM 0 HB3 HIS A 15 5.759 -5.832 1.244 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.256 -9.504 0.265 1.00 0.00 H new ATOM 0 HE1 HIS A 15 8.941 -8.269 -1.455 1.00 0.00 H new ATOM 0 HE2 HIS A 15 7.186 -10.141 -1.429 1.00 0.00 H new ATOM 267 N LYS A 16 6.131 -5.735 5.051 1.00 0.00 N ATOM 268 CA LYS A 16 6.074 -4.551 5.902 1.00 0.00 C ATOM 269 C LYS A 16 7.408 -4.356 6.627 1.00 0.00 C ATOM 270 O LYS A 16 7.453 -3.983 7.805 1.00 0.00 O ATOM 271 CB LYS A 16 4.899 -4.665 6.872 1.00 0.00 C ATOM 272 CG LYS A 16 4.890 -6.003 7.623 1.00 0.00 C ATOM 273 CD LYS A 16 4.202 -5.865 8.991 1.00 0.00 C ATOM 274 CE LYS A 16 5.209 -6.106 10.123 1.00 0.00 C ATOM 275 NZ LYS A 16 5.461 -7.548 10.315 1.00 0.00 N ATOM 0 H LYS A 16 6.587 -6.529 5.500 1.00 0.00 H new ATOM 0 HA LYS A 16 5.909 -3.665 5.289 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.944 -3.848 7.592 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.965 -4.554 6.322 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.373 -6.755 7.027 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.913 -6.353 7.761 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.768 -4.870 9.088 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.382 -6.579 9.067 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.146 -5.598 9.894 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.830 -5.674 11.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.146 -7.681 11.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.570 -8.027 10.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.845 -7.953 9.438 1.00 0.00 H new ATOM 334 N SER A 20 11.083 -2.732 2.875 1.00 0.00 N ATOM 335 CA SER A 20 10.072 -3.302 1.984 1.00 0.00 C ATOM 336 C SER A 20 8.693 -3.106 2.624 1.00 0.00 C ATOM 337 O SER A 20 8.136 -4.044 3.197 1.00 0.00 O ATOM 338 CB SER A 20 10.310 -4.797 1.699 1.00 0.00 C ATOM 339 OG SER A 20 11.360 -5.024 0.779 1.00 0.00 O ATOM 0 HA SER A 20 10.134 -2.786 1.026 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.537 -5.308 2.635 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.392 -5.238 1.310 1.00 0.00 H new ATOM 0 HG SER A 20 11.468 -5.988 0.637 1.00 0.00 H new ATOM 345 N THR A 21 8.154 -1.894 2.510 1.00 0.00 N ATOM 346 CA THR A 21 6.870 -1.482 3.025 1.00 0.00 C ATOM 347 C THR A 21 5.878 -1.443 1.868 1.00 0.00 C ATOM 348 O THR A 21 5.932 -0.529 1.041 1.00 0.00 O ATOM 349 CB THR A 21 7.061 -0.101 3.650 1.00 0.00 C ATOM 350 OG1 THR A 21 7.992 -0.241 4.701 1.00 0.00 O ATOM 351 CG2 THR A 21 5.749 0.427 4.207 1.00 0.00 C ATOM 0 H THR A 21 8.637 -1.137 2.026 1.00 0.00 H new ATOM 0 HA THR A 21 6.482 -2.168 3.778 1.00 0.00 H new ATOM 0 HB THR A 21 7.414 0.603 2.896 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.899 -0.104 4.355 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.910 1.411 4.647 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.017 0.504 3.403 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.377 -0.255 4.971 1.00 0.00 H new ATOM 359 N TRP A 22 4.983 -2.428 1.813 1.00 0.00 N ATOM 360 CA TRP A 22 3.888 -2.479 0.857 1.00 0.00 C ATOM 361 C TRP A 22 2.585 -2.130 1.560 1.00 0.00 C ATOM 362 O TRP A 22 2.497 -2.197 2.782 1.00 0.00 O ATOM 363 CB TRP A 22 3.798 -3.877 0.273 1.00 0.00 C ATOM 364 CG TRP A 22 4.888 -4.257 -0.674 1.00 0.00 C ATOM 365 CD1 TRP A 22 6.079 -3.648 -0.874 1.00 0.00 C ATOM 366 CD2 TRP A 22 4.847 -5.354 -1.613 1.00 0.00 C ATOM 367 NE1 TRP A 22 6.766 -4.293 -1.878 1.00 0.00 N ATOM 368 CE2 TRP A 22 6.056 -5.372 -2.361 1.00 0.00 C ATOM 369 CE3 TRP A 22 3.872 -6.316 -1.919 1.00 0.00 C ATOM 370 CZ2 TRP A 22 6.297 -6.326 -3.358 1.00 0.00 C ATOM 371 CZ3 TRP A 22 4.110 -7.297 -2.895 1.00 0.00 C ATOM 372 CH2 TRP A 22 5.329 -7.313 -3.597 1.00 0.00 C ATOM 0 H TRP A 22 5.003 -3.227 2.446 1.00 0.00 H new ATOM 0 HA TRP A 22 4.066 -1.762 0.055 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.790 -4.594 1.094 1.00 0.00 H new ATOM 0 HB3 TRP A 22 2.843 -3.974 -0.244 1.00 0.00 H new ATOM 0 HD1 TRP A 22 6.437 -2.787 -0.329 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.684 -4.009 -2.221 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.927 -6.302 -1.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.211 -6.302 -3.932 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.356 -8.041 -3.107 1.00 0.00 H new ATOM 0 HH2 TRP A 22 5.521 -8.089 -4.323 1.00 0.00 H new ATOM 383 N VAL A 23 1.559 -1.788 0.789 1.00 0.00 N ATOM 384 CA VAL A 23 0.237 -1.487 1.303 1.00 0.00 C ATOM 385 C VAL A 23 -0.782 -1.910 0.257 1.00 0.00 C ATOM 386 O VAL A 23 -0.486 -1.872 -0.940 1.00 0.00 O ATOM 387 CB VAL A 23 0.071 0.018 1.560 1.00 0.00 C ATOM 388 CG1 VAL A 23 0.385 0.437 2.995 1.00 0.00 C ATOM 389 CG2 VAL A 23 0.929 0.879 0.633 1.00 0.00 C ATOM 0 H VAL A 23 1.628 -1.712 -0.226 1.00 0.00 H new ATOM 0 HA VAL A 23 0.094 -2.018 2.244 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.987 0.190 1.360 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.245 1.513 3.099 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.284 -0.084 3.681 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.418 0.181 3.231 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.768 1.932 0.863 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.981 0.632 0.777 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.650 0.687 -0.403 1.00 0.00 H new ATOM 399 N ILE A 24 -1.980 -2.277 0.721 1.00 0.00 N ATOM 400 CA ILE A 24 -3.107 -2.614 -0.117 1.00 0.00 C ATOM 401 C ILE A 24 -4.288 -1.725 0.259 1.00 0.00 C ATOM 402 O ILE A 24 -4.718 -1.745 1.413 1.00 0.00 O ATOM 403 CB ILE A 24 -3.386 -4.117 -0.046 1.00 0.00 C ATOM 404 CG1 ILE A 24 -3.816 -4.643 1.323 1.00 0.00 C ATOM 405 CG2 ILE A 24 -2.102 -4.851 -0.413 1.00 0.00 C ATOM 406 CD1 ILE A 24 -5.302 -5.000 1.350 1.00 0.00 C ATOM 0 H ILE A 24 -2.186 -2.346 1.718 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.895 -2.414 -1.167 1.00 0.00 H new ATOM 0 HB ILE A 24 -4.219 -4.292 -0.727 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.226 -5.523 1.576 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.609 -3.890 2.084 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.273 -5.927 -0.370 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.799 -4.572 -1.422 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.315 -4.581 0.290 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.569 -5.370 2.340 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.893 -4.113 1.122 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.504 -5.772 0.607 1.00 0.00 H new ATOM 418 N LEU A 25 -4.745 -0.891 -0.685 1.00 0.00 N ATOM 419 CA LEU A 25 -5.834 0.062 -0.470 1.00 0.00 C ATOM 420 C LEU A 25 -6.894 -0.217 -1.529 1.00 0.00 C ATOM 421 O LEU A 25 -6.643 0.019 -2.710 1.00 0.00 O ATOM 422 CB LEU A 25 -5.386 1.534 -0.529 1.00 0.00 C ATOM 423 CG LEU A 25 -3.929 1.769 -0.117 1.00 0.00 C ATOM 424 CD1 LEU A 25 -3.487 3.194 -0.431 1.00 0.00 C ATOM 425 CD2 LEU A 25 -3.712 1.558 1.372 1.00 0.00 C ATOM 0 H LEU A 25 -4.362 -0.862 -1.630 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.223 -0.077 0.539 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.528 1.904 -1.544 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.034 2.125 0.119 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.345 1.045 -0.686 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.449 3.328 -0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.578 3.375 -1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.118 3.898 0.111 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.665 1.736 1.616 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.338 2.252 1.933 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.977 0.535 1.637 1.00 0.00 H new ATOM 437 N HIS A 26 -8.051 -0.739 -1.116 1.00 0.00 N ATOM 438 CA HIS A 26 -9.145 -1.097 -2.019 1.00 0.00 C ATOM 439 C HIS A 26 -8.662 -1.890 -3.241 1.00 0.00 C ATOM 440 O HIS A 26 -8.753 -1.424 -4.377 1.00 0.00 O ATOM 441 CB HIS A 26 -9.927 0.151 -2.447 1.00 0.00 C ATOM 442 CG HIS A 26 -10.709 0.776 -1.328 1.00 0.00 C ATOM 443 ND1 HIS A 26 -11.905 0.311 -0.826 1.00 0.00 N ATOM 444 CD2 HIS A 26 -10.361 1.896 -0.623 1.00 0.00 C ATOM 445 CE1 HIS A 26 -12.272 1.136 0.167 1.00 0.00 C ATOM 446 NE2 HIS A 26 -11.362 2.106 0.325 1.00 0.00 N ATOM 0 H HIS A 26 -8.256 -0.927 -0.135 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.815 -1.754 -1.464 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -9.231 0.887 -2.849 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -10.610 -0.116 -3.253 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -12.417 -0.509 -1.150 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -9.479 2.502 -0.772 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -13.172 1.033 0.755 1.00 0.00 H new ATOM 454 N HIS A 27 -8.187 -3.114 -2.994 1.00 0.00 N ATOM 455 CA HIS A 27 -7.824 -4.078 -4.027 1.00 0.00 C ATOM 456 C HIS A 27 -6.803 -3.510 -5.008 1.00 0.00 C ATOM 457 O HIS A 27 -7.037 -3.464 -6.212 1.00 0.00 O ATOM 458 CB HIS A 27 -9.068 -4.615 -4.751 1.00 0.00 C ATOM 459 CG HIS A 27 -10.178 -5.061 -3.838 1.00 0.00 C ATOM 460 ND1 HIS A 27 -10.039 -5.607 -2.581 1.00 0.00 N ATOM 461 CD2 HIS A 27 -11.516 -4.886 -4.069 1.00 0.00 C ATOM 462 CE1 HIS A 27 -11.272 -5.744 -2.067 1.00 0.00 C ATOM 463 NE2 HIS A 27 -12.206 -5.321 -2.935 1.00 0.00 N ATOM 0 H HIS A 27 -8.042 -3.466 -2.048 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.345 -4.920 -3.527 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -9.450 -3.839 -5.414 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.772 -5.455 -5.380 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.959 -4.483 -4.968 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -11.485 -6.142 -1.086 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -13.216 -5.318 -2.794 1.00 0.00 H new ATOM 471 N LYS A 28 -5.651 -3.106 -4.479 1.00 0.00 N ATOM 472 CA LYS A 28 -4.560 -2.566 -5.263 1.00 0.00 C ATOM 473 C LYS A 28 -3.334 -2.534 -4.370 1.00 0.00 C ATOM 474 O LYS A 28 -3.345 -1.828 -3.360 1.00 0.00 O ATOM 475 CB LYS A 28 -4.897 -1.147 -5.728 1.00 0.00 C ATOM 476 CG LYS A 28 -5.423 -1.092 -7.167 1.00 0.00 C ATOM 477 CD LYS A 28 -6.839 -0.521 -7.306 1.00 0.00 C ATOM 478 CE LYS A 28 -6.786 0.703 -8.229 1.00 0.00 C ATOM 479 NZ LYS A 28 -8.124 1.281 -8.439 1.00 0.00 N ATOM 0 H LYS A 28 -5.453 -3.148 -3.479 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.383 -3.180 -6.146 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.644 -0.720 -5.059 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.006 -0.525 -5.650 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -4.741 -0.489 -7.767 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.409 -2.099 -7.584 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.512 -1.274 -7.715 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.231 -0.241 -6.328 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.127 1.457 -7.798 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.358 0.417 -9.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.051 2.106 -9.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.745 0.569 -8.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.522 1.576 -7.525 1.00 0.00 H new ATOM 493 N VAL A 29 -2.308 -3.304 -4.737 1.00 0.00 N ATOM 494 CA VAL A 29 -1.065 -3.350 -3.996 1.00 0.00 C ATOM 495 C VAL A 29 -0.145 -2.269 -4.550 1.00 0.00 C ATOM 496 O VAL A 29 0.196 -2.281 -5.737 1.00 0.00 O ATOM 497 CB VAL A 29 -0.437 -4.752 -4.040 1.00 0.00 C ATOM 498 CG1 VAL A 29 0.737 -4.821 -3.050 1.00 0.00 C ATOM 499 CG2 VAL A 29 -1.464 -5.841 -3.699 1.00 0.00 C ATOM 0 H VAL A 29 -2.324 -3.910 -5.557 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.245 -3.150 -2.940 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.081 -4.931 -5.055 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.182 -5.816 -3.082 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.487 -4.079 -3.323 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.375 -4.617 -2.042 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.984 -6.819 -3.740 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.856 -5.671 -2.696 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.282 -5.808 -4.418 1.00 0.00 H new ATOM 509 N TYR A 30 0.229 -1.329 -3.683 1.00 0.00 N ATOM 510 CA TYR A 30 1.108 -0.227 -4.025 1.00 0.00 C ATOM 511 C TYR A 30 2.457 -0.472 -3.355 1.00 0.00 C ATOM 512 O TYR A 30 2.527 -0.546 -2.125 1.00 0.00 O ATOM 513 CB TYR A 30 0.457 1.089 -3.596 1.00 0.00 C ATOM 514 CG TYR A 30 -0.935 1.294 -4.167 1.00 0.00 C ATOM 515 CD1 TYR A 30 -1.117 1.456 -5.548 1.00 0.00 C ATOM 516 CD2 TYR A 30 -2.050 1.328 -3.319 1.00 0.00 C ATOM 517 CE1 TYR A 30 -2.391 1.733 -6.074 1.00 0.00 C ATOM 518 CE2 TYR A 30 -3.320 1.639 -3.834 1.00 0.00 C ATOM 519 CZ TYR A 30 -3.488 1.860 -5.209 1.00 0.00 C ATOM 520 OH TYR A 30 -4.700 2.254 -5.696 1.00 0.00 O ATOM 0 H TYR A 30 -0.078 -1.317 -2.710 1.00 0.00 H new ATOM 0 HA TYR A 30 1.274 -0.160 -5.100 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.402 1.120 -2.508 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.094 1.918 -3.907 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -0.271 1.367 -6.213 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.933 1.115 -2.267 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -2.525 1.848 -7.140 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.169 1.708 -3.170 1.00 0.00 H new ATOM 0 HH TYR A 30 -5.351 2.290 -4.964 1.00 0.00 H new ATOM 530 N ASP A 31 3.519 -0.632 -4.153 1.00 0.00 N ATOM 531 CA ASP A 31 4.860 -0.793 -3.608 1.00 0.00 C ATOM 532 C ASP A 31 5.410 0.599 -3.357 1.00 0.00 C ATOM 533 O ASP A 31 5.840 1.279 -4.286 1.00 0.00 O ATOM 534 CB ASP A 31 5.780 -1.575 -4.545 1.00 0.00 C ATOM 535 CG ASP A 31 7.164 -1.798 -3.936 1.00 0.00 C ATOM 536 OD1 ASP A 31 7.341 -1.493 -2.734 1.00 0.00 O ATOM 537 OD2 ASP A 31 8.021 -2.327 -4.674 1.00 0.00 O ATOM 0 H ASP A 31 3.471 -0.653 -5.172 1.00 0.00 H new ATOM 0 HA ASP A 31 4.811 -1.372 -2.686 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.327 -2.539 -4.777 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.881 -1.036 -5.487 1.00 0.00 H new ATOM 542 N LEU A 32 5.321 1.045 -2.108 1.00 0.00 N ATOM 543 CA LEU A 32 5.854 2.330 -1.725 1.00 0.00 C ATOM 544 C LEU A 32 7.345 2.172 -1.449 1.00 0.00 C ATOM 545 O LEU A 32 8.131 2.204 -2.389 1.00 0.00 O ATOM 546 CB LEU A 32 5.042 2.901 -0.561 1.00 0.00 C ATOM 547 CG LEU A 32 3.586 3.210 -0.956 1.00 0.00 C ATOM 548 CD1 LEU A 32 2.946 4.010 0.175 1.00 0.00 C ATOM 549 CD2 LEU A 32 3.433 3.960 -2.283 1.00 0.00 C ATOM 0 H LEU A 32 4.881 0.527 -1.347 1.00 0.00 H new ATOM 0 HA LEU A 32 5.762 3.064 -2.525 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.048 2.191 0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.519 3.813 -0.201 1.00 0.00 H new ATOM 0 HG LEU A 32 3.085 2.254 -1.110 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.912 4.241 -0.082 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.969 3.424 1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.499 4.938 0.323 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.376 4.135 -2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.954 4.915 -2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.860 3.364 -3.089 1.00 0.00 H new ATOM 561 N THR A 33 7.739 2.023 -0.179 1.00 0.00 N ATOM 562 CA THR A 33 9.105 1.911 0.314 1.00 0.00 C ATOM 563 C THR A 33 9.900 3.187 0.014 1.00 0.00 C ATOM 564 O THR A 33 10.176 4.000 0.890 1.00 0.00 O ATOM 565 CB THR A 33 9.723 0.611 -0.220 1.00 0.00 C ATOM 566 OG1 THR A 33 8.979 -0.471 0.304 1.00 0.00 O ATOM 567 CG2 THR A 33 11.192 0.450 0.178 1.00 0.00 C ATOM 0 H THR A 33 7.059 1.975 0.580 1.00 0.00 H new ATOM 0 HA THR A 33 9.126 1.834 1.401 1.00 0.00 H new ATOM 0 HB THR A 33 9.688 0.637 -1.309 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.128 -1.268 -0.247 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.578 -0.486 -0.226 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.770 1.283 -0.221 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.275 0.438 1.265 1.00 0.00 H new ATOM 575 N LYS A 34 10.180 3.419 -1.259 1.00 0.00 N ATOM 576 CA LYS A 34 10.868 4.591 -1.784 1.00 0.00 C ATOM 577 C LYS A 34 10.041 5.871 -1.643 1.00 0.00 C ATOM 578 O LYS A 34 10.525 6.946 -1.983 1.00 0.00 O ATOM 579 CB LYS A 34 11.203 4.326 -3.256 1.00 0.00 C ATOM 580 CG LYS A 34 12.093 3.079 -3.381 1.00 0.00 C ATOM 581 CD LYS A 34 13.429 3.432 -4.042 1.00 0.00 C ATOM 582 CE LYS A 34 14.443 2.291 -3.858 1.00 0.00 C ATOM 583 NZ LYS A 34 15.826 2.802 -3.784 1.00 0.00 N ATOM 0 H LYS A 34 9.920 2.761 -1.994 1.00 0.00 H new ATOM 0 HA LYS A 34 11.776 4.752 -1.203 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.285 4.185 -3.826 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.713 5.190 -3.682 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.271 2.653 -2.394 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.580 2.318 -3.969 1.00 0.00 H new ATOM 0 HD2 LYS A 34 13.276 3.622 -5.104 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.824 4.350 -3.608 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.209 1.738 -2.948 1.00 0.00 H new ATOM 0 HE3 LYS A 34 14.357 1.589 -4.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.484 2.006 -3.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 16.057 3.308 -4.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 15.913 3.452 -2.977 1.00 0.00 H new ATOM 597 N PHE A 35 8.805 5.759 -1.153 1.00 0.00 N ATOM 598 CA PHE A 35 7.894 6.869 -0.971 1.00 0.00 C ATOM 599 C PHE A 35 7.673 7.132 0.516 1.00 0.00 C ATOM 600 O PHE A 35 6.978 8.072 0.875 1.00 0.00 O ATOM 601 CB PHE A 35 6.600 6.545 -1.714 1.00 0.00 C ATOM 602 CG PHE A 35 5.507 7.591 -1.632 1.00 0.00 C ATOM 603 CD1 PHE A 35 5.734 8.905 -2.082 1.00 0.00 C ATOM 604 CD2 PHE A 35 4.271 7.257 -1.055 1.00 0.00 C ATOM 605 CE1 PHE A 35 4.711 9.862 -2.000 1.00 0.00 C ATOM 606 CE2 PHE A 35 3.248 8.206 -0.980 1.00 0.00 C ATOM 607 CZ PHE A 35 3.467 9.513 -1.443 1.00 0.00 C ATOM 0 H PHE A 35 8.408 4.864 -0.866 1.00 0.00 H new ATOM 0 HA PHE A 35 8.308 7.789 -1.384 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.839 6.380 -2.765 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.207 5.606 -1.325 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.696 9.177 -2.491 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.110 6.262 -0.667 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.878 10.865 -2.364 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.289 7.934 -0.566 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.681 10.250 -1.372 1.00 0.00 H new ATOM 617 N LEU A 36 8.277 6.329 1.394 1.00 0.00 N ATOM 618 CA LEU A 36 8.109 6.498 2.826 1.00 0.00 C ATOM 619 C LEU A 36 8.418 7.936 3.256 1.00 0.00 C ATOM 620 O LEU A 36 7.604 8.574 3.918 1.00 0.00 O ATOM 621 CB LEU A 36 9.000 5.483 3.545 1.00 0.00 C ATOM 622 CG LEU A 36 8.444 4.055 3.491 1.00 0.00 C ATOM 623 CD1 LEU A 36 9.451 3.082 4.114 1.00 0.00 C ATOM 624 CD2 LEU A 36 7.091 3.947 4.200 1.00 0.00 C ATOM 0 H LEU A 36 8.887 5.555 1.131 1.00 0.00 H new ATOM 0 HA LEU A 36 7.070 6.315 3.099 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.993 5.498 3.097 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.116 5.783 4.586 1.00 0.00 H new ATOM 0 HG LEU A 36 8.287 3.794 2.445 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.051 2.069 4.073 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.389 3.125 3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.630 3.360 5.153 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.730 2.920 4.140 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.205 4.231 5.246 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.374 4.612 3.719 1.00 0.00 H new ATOM 636 N GLU A 37 9.579 8.457 2.850 1.00 0.00 N ATOM 637 CA GLU A 37 9.989 9.809 3.206 1.00 0.00 C ATOM 638 C GLU A 37 9.354 10.848 2.267 1.00 0.00 C ATOM 639 O GLU A 37 8.934 11.910 2.718 1.00 0.00 O ATOM 640 CB GLU A 37 11.522 9.874 3.265 1.00 0.00 C ATOM 641 CG GLU A 37 12.003 11.022 4.167 1.00 0.00 C ATOM 642 CD GLU A 37 13.516 11.010 4.364 1.00 0.00 C ATOM 643 OE1 GLU A 37 14.068 9.898 4.503 1.00 0.00 O ATOM 644 OE2 GLU A 37 14.095 12.116 4.373 1.00 0.00 O ATOM 0 H GLU A 37 10.252 7.955 2.271 1.00 0.00 H new ATOM 0 HA GLU A 37 9.619 10.064 4.199 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.913 8.928 3.639 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.920 10.009 2.259 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.704 11.974 3.730 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.512 10.949 5.137 1.00 0.00 H new ATOM 651 N GLU A 38 9.247 10.544 0.965 1.00 0.00 N ATOM 652 CA GLU A 38 8.600 11.440 0.010 1.00 0.00 C ATOM 653 C GLU A 38 7.113 11.671 0.332 1.00 0.00 C ATOM 654 O GLU A 38 6.561 12.692 -0.074 1.00 0.00 O ATOM 655 CB GLU A 38 8.781 10.935 -1.432 1.00 0.00 C ATOM 656 CG GLU A 38 10.082 11.395 -2.118 1.00 0.00 C ATOM 657 CD GLU A 38 9.825 11.875 -3.546 1.00 0.00 C ATOM 658 OE1 GLU A 38 9.057 11.185 -4.250 1.00 0.00 O ATOM 659 OE2 GLU A 38 10.394 12.930 -3.902 1.00 0.00 O ATOM 0 H GLU A 38 9.603 9.681 0.554 1.00 0.00 H new ATOM 0 HA GLU A 38 9.095 12.407 0.101 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.755 9.845 -1.427 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.933 11.271 -2.029 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.535 12.200 -1.539 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.797 10.572 -2.133 1.00 0.00 H new ATOM 666 N HIS A 39 6.443 10.743 1.023 1.00 0.00 N ATOM 667 CA HIS A 39 5.034 10.871 1.376 1.00 0.00 C ATOM 668 C HIS A 39 4.780 12.139 2.200 1.00 0.00 C ATOM 669 O HIS A 39 5.241 12.211 3.343 1.00 0.00 O ATOM 670 CB HIS A 39 4.573 9.615 2.120 1.00 0.00 C ATOM 671 CG HIS A 39 3.160 9.649 2.653 1.00 0.00 C ATOM 672 ND1 HIS A 39 2.813 9.439 3.963 1.00 0.00 N ATOM 673 CD2 HIS A 39 1.998 9.650 1.926 1.00 0.00 C ATOM 674 CE1 HIS A 39 1.480 9.321 4.023 1.00 0.00 C ATOM 675 NE2 HIS A 39 0.931 9.428 2.801 1.00 0.00 N ATOM 0 H HIS A 39 6.870 9.878 1.353 1.00 0.00 H new ATOM 0 HA HIS A 39 4.449 10.966 0.461 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.667 8.762 1.448 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.252 9.440 2.954 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.456 9.383 4.752 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.920 9.797 0.859 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.921 9.161 4.933 1.00 0.00 H new ATOM 683 N PRO A 40 4.021 13.118 1.668 1.00 0.00 N ATOM 684 CA PRO A 40 3.672 14.333 2.383 1.00 0.00 C ATOM 685 C PRO A 40 2.679 13.975 3.486 1.00 0.00 C ATOM 686 O PRO A 40 1.468 14.128 3.342 1.00 0.00 O ATOM 687 CB PRO A 40 3.094 15.294 1.340 1.00 0.00 C ATOM 688 CG PRO A 40 2.562 14.378 0.244 1.00 0.00 C ATOM 689 CD PRO A 40 3.368 13.086 0.366 1.00 0.00 C ATOM 0 HA PRO A 40 4.522 14.812 2.870 1.00 0.00 H new ATOM 0 HB2 PRO A 40 2.301 15.911 1.763 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.857 15.972 0.957 1.00 0.00 H new ATOM 0 HG2 PRO A 40 1.496 14.189 0.373 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.689 14.829 -0.740 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.718 12.215 0.281 1.00 0.00 H new ATOM 0 HD3 PRO A 40 4.105 13.013 -0.434 1.00 0.00 H new ATOM 697 N GLY A 41 3.227 13.454 4.580 1.00 0.00 N ATOM 698 CA GLY A 41 2.487 12.912 5.697 1.00 0.00 C ATOM 699 C GLY A 41 3.405 12.078 6.581 1.00 0.00 C ATOM 700 O GLY A 41 3.217 12.057 7.795 1.00 0.00 O ATOM 0 H GLY A 41 4.237 13.399 4.710 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.047 13.722 6.279 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.664 12.297 5.333 1.00 0.00 H new ATOM 704 N GLY A 42 4.409 11.406 5.992 1.00 0.00 N ATOM 705 CA GLY A 42 5.410 10.695 6.773 1.00 0.00 C ATOM 706 C GLY A 42 5.638 9.258 6.377 1.00 0.00 C ATOM 707 O GLY A 42 4.854 8.675 5.631 1.00 0.00 O ATOM 0 H GLY A 42 4.540 11.346 4.982 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.356 11.231 6.694 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.115 10.723 7.822 1.00 0.00 H new ATOM 711 N GLU A 43 6.657 8.666 7.000 1.00 0.00 N ATOM 712 CA GLU A 43 6.951 7.263 6.841 1.00 0.00 C ATOM 713 C GLU A 43 6.143 6.437 7.847 1.00 0.00 C ATOM 714 O GLU A 43 5.550 5.435 7.466 1.00 0.00 O ATOM 715 CB GLU A 43 8.460 7.028 7.035 1.00 0.00 C ATOM 716 CG GLU A 43 8.795 5.539 7.253 1.00 0.00 C ATOM 717 CD GLU A 43 10.271 5.200 7.080 1.00 0.00 C ATOM 718 OE1 GLU A 43 10.977 5.998 6.430 1.00 0.00 O ATOM 719 OE2 GLU A 43 10.648 4.121 7.583 1.00 0.00 O ATOM 0 H GLU A 43 7.295 9.156 7.627 1.00 0.00 H new ATOM 0 HA GLU A 43 6.671 6.947 5.836 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.998 7.395 6.161 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.809 7.606 7.891 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.483 5.251 8.257 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.212 4.940 6.553 1.00 0.00 H new ATOM 726 N GLU A 44 6.138 6.806 9.138 1.00 0.00 N ATOM 727 CA GLU A 44 5.616 5.930 10.196 1.00 0.00 C ATOM 728 C GLU A 44 4.187 5.484 9.889 1.00 0.00 C ATOM 729 O GLU A 44 3.897 4.292 9.883 1.00 0.00 O ATOM 730 CB GLU A 44 5.677 6.601 11.574 1.00 0.00 C ATOM 731 CG GLU A 44 5.463 5.562 12.687 1.00 0.00 C ATOM 732 CD GLU A 44 5.234 6.233 14.032 1.00 0.00 C ATOM 733 OE1 GLU A 44 6.244 6.676 14.620 1.00 0.00 O ATOM 734 OE2 GLU A 44 4.053 6.320 14.430 1.00 0.00 O ATOM 0 H GLU A 44 6.489 7.703 9.473 1.00 0.00 H new ATOM 0 HA GLU A 44 6.257 5.049 10.223 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.642 7.090 11.705 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.915 7.377 11.641 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.607 4.934 12.441 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.332 4.907 12.748 1.00 0.00 H new ATOM 741 N VAL A 45 3.315 6.448 9.583 1.00 0.00 N ATOM 742 CA VAL A 45 1.944 6.205 9.165 1.00 0.00 C ATOM 743 C VAL A 45 1.920 5.121 8.083 1.00 0.00 C ATOM 744 O VAL A 45 1.138 4.174 8.152 1.00 0.00 O ATOM 745 CB VAL A 45 1.303 7.537 8.722 1.00 0.00 C ATOM 746 CG1 VAL A 45 1.203 8.511 9.910 1.00 0.00 C ATOM 747 CG2 VAL A 45 2.028 8.207 7.543 1.00 0.00 C ATOM 0 H VAL A 45 3.554 7.439 9.622 1.00 0.00 H new ATOM 0 HA VAL A 45 1.344 5.827 9.993 1.00 0.00 H new ATOM 0 HB VAL A 45 0.303 7.287 8.367 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.749 9.444 9.578 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.589 8.067 10.694 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.201 8.712 10.301 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.522 9.138 7.286 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.059 8.420 7.824 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.017 7.539 6.682 1.00 0.00 H new ATOM 757 N LEU A 46 2.838 5.209 7.119 1.00 0.00 N ATOM 758 CA LEU A 46 2.996 4.191 6.107 1.00 0.00 C ATOM 759 C LEU A 46 3.440 2.858 6.707 1.00 0.00 C ATOM 760 O LEU A 46 2.795 1.833 6.490 1.00 0.00 O ATOM 761 CB LEU A 46 3.835 4.702 4.931 1.00 0.00 C ATOM 762 CG LEU A 46 2.987 5.543 3.963 1.00 0.00 C ATOM 763 CD1 LEU A 46 3.910 6.319 3.015 1.00 0.00 C ATOM 764 CD2 LEU A 46 2.052 4.637 3.158 1.00 0.00 C ATOM 0 H LEU A 46 3.487 5.991 7.027 1.00 0.00 H new ATOM 0 HA LEU A 46 2.022 3.969 5.671 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.664 5.302 5.307 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.269 3.857 4.397 1.00 0.00 H new ATOM 0 HG LEU A 46 2.383 6.247 4.535 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.309 6.915 2.329 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.558 6.976 3.595 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.521 5.617 2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.456 5.243 2.476 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.642 3.921 2.586 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.391 4.100 3.838 1.00 0.00 H new ATOM 776 N ARG A 47 4.497 2.870 7.515 1.00 0.00 N ATOM 777 CA ARG A 47 5.100 1.685 8.111 1.00 0.00 C ATOM 778 C ARG A 47 4.345 1.169 9.348 1.00 0.00 C ATOM 779 O ARG A 47 4.907 0.390 10.117 1.00 0.00 O ATOM 780 CB ARG A 47 6.593 1.974 8.384 1.00 0.00 C ATOM 781 CG ARG A 47 7.515 0.929 7.739 1.00 0.00 C ATOM 782 CD ARG A 47 7.736 -0.326 8.587 1.00 0.00 C ATOM 783 NE ARG A 47 8.722 -0.065 9.641 1.00 0.00 N ATOM 784 CZ ARG A 47 9.300 -1.010 10.396 1.00 0.00 C ATOM 785 NH1 ARG A 47 8.916 -2.287 10.274 1.00 0.00 N ATOM 786 NH2 ARG A 47 10.266 -0.670 11.258 1.00 0.00 N ATOM 0 H ARG A 47 4.971 3.733 7.780 1.00 0.00 H new ATOM 0 HA ARG A 47 5.024 0.861 7.402 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.845 2.963 8.002 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.766 1.994 9.460 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.094 0.634 6.778 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.481 1.390 7.536 1.00 0.00 H new ATOM 0 HD2 ARG A 47 6.793 -0.642 9.033 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.079 -1.144 7.954 1.00 0.00 H new ATOM 0 HE ARG A 47 8.987 0.905 9.812 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.186 -2.538 9.608 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.354 -3.008 10.847 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.559 0.304 11.338 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.709 -1.385 11.835 1.00 0.00 H new ATOM 800 N GLU A 48 3.076 1.552 9.517 1.00 0.00 N ATOM 801 CA GLU A 48 2.204 1.088 10.585 1.00 0.00 C ATOM 802 C GLU A 48 1.259 0.025 10.029 1.00 0.00 C ATOM 803 O GLU A 48 1.259 -1.119 10.480 1.00 0.00 O ATOM 804 CB GLU A 48 1.441 2.296 11.158 1.00 0.00 C ATOM 805 CG GLU A 48 2.019 2.715 12.515 1.00 0.00 C ATOM 806 CD GLU A 48 1.630 1.731 13.612 1.00 0.00 C ATOM 807 OE1 GLU A 48 0.413 1.652 13.887 1.00 0.00 O ATOM 808 OE2 GLU A 48 2.544 1.059 14.135 1.00 0.00 O ATOM 0 H GLU A 48 2.619 2.215 8.891 1.00 0.00 H new ATOM 0 HA GLU A 48 2.777 0.634 11.393 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.498 3.131 10.460 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.386 2.045 11.269 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.105 2.776 12.447 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.660 3.711 12.773 1.00 0.00 H new ATOM 815 N GLN A 49 0.456 0.408 9.033 1.00 0.00 N ATOM 816 CA GLN A 49 -0.581 -0.444 8.460 1.00 0.00 C ATOM 817 C GLN A 49 -0.086 -1.164 7.202 1.00 0.00 C ATOM 818 O GLN A 49 -0.747 -2.073 6.704 1.00 0.00 O ATOM 819 CB GLN A 49 -1.822 0.407 8.161 1.00 0.00 C ATOM 820 CG GLN A 49 -3.089 -0.065 8.894 1.00 0.00 C ATOM 821 CD GLN A 49 -3.869 1.050 9.595 1.00 0.00 C ATOM 822 OE1 GLN A 49 -3.308 2.058 10.022 1.00 0.00 O ATOM 823 NE2 GLN A 49 -5.183 0.895 9.729 1.00 0.00 N ATOM 0 H GLN A 49 0.511 1.329 8.599 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.841 -1.218 9.182 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.617 1.441 8.438 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.009 0.395 7.087 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.747 -0.556 8.177 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.808 -0.815 9.634 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.637 0.055 9.371 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.737 1.617 10.190 1.00 0.00 H new ATOM 832 N ALA A 50 1.060 -0.751 6.660 1.00 0.00 N ATOM 833 CA ALA A 50 1.768 -1.519 5.652 1.00 0.00 C ATOM 834 C ALA A 50 1.765 -3.017 5.932 1.00 0.00 C ATOM 835 O ALA A 50 1.906 -3.444 7.076 1.00 0.00 O ATOM 836 CB ALA A 50 3.196 -1.015 5.537 1.00 0.00 C ATOM 0 H ALA A 50 1.518 0.125 6.911 1.00 0.00 H new ATOM 0 HA ALA A 50 1.239 -1.376 4.710 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.726 -1.593 4.780 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.189 0.037 5.252 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.700 -1.127 6.497 1.00 0.00 H new ATOM 842 N GLY A 51 1.602 -3.795 4.859 1.00 0.00 N ATOM 843 CA GLY A 51 1.369 -5.223 4.913 1.00 0.00 C ATOM 844 C GLY A 51 0.316 -5.544 5.975 1.00 0.00 C ATOM 845 O GLY A 51 0.608 -6.227 6.952 1.00 0.00 O ATOM 0 H GLY A 51 1.631 -3.430 3.907 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.036 -5.582 3.939 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.299 -5.743 5.143 1.00 0.00 H new ATOM 849 N GLY A 52 -0.906 -5.053 5.766 1.00 0.00 N ATOM 850 CA GLY A 52 -2.010 -5.248 6.692 1.00 0.00 C ATOM 851 C GLY A 52 -3.064 -4.170 6.469 1.00 0.00 C ATOM 852 O GLY A 52 -3.292 -3.327 7.334 1.00 0.00 O ATOM 0 H GLY A 52 -1.154 -4.506 4.942 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.449 -6.235 6.547 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.647 -5.208 7.719 1.00 0.00 H new ATOM 856 N ASP A 53 -3.677 -4.206 5.281 1.00 0.00 N ATOM 857 CA ASP A 53 -4.864 -3.448 4.907 1.00 0.00 C ATOM 858 C ASP A 53 -4.823 -1.992 5.363 1.00 0.00 C ATOM 859 O ASP A 53 -5.513 -1.580 6.294 1.00 0.00 O ATOM 860 CB ASP A 53 -6.114 -4.196 5.377 1.00 0.00 C ATOM 861 CG ASP A 53 -6.299 -5.489 4.596 1.00 0.00 C ATOM 862 OD1 ASP A 53 -5.307 -6.251 4.509 1.00 0.00 O ATOM 863 OD2 ASP A 53 -7.390 -5.640 4.006 1.00 0.00 O ATOM 0 H ASP A 53 -3.338 -4.795 4.521 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.895 -3.379 3.820 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.031 -4.418 6.441 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.991 -3.562 5.251 1.00 0.00 H new ATOM 868 N ALA A 54 -4.068 -1.168 4.632 1.00 0.00 N ATOM 869 CA ALA A 54 -3.973 0.242 4.953 1.00 0.00 C ATOM 870 C ALA A 54 -5.262 0.987 4.612 1.00 0.00 C ATOM 871 O ALA A 54 -5.417 2.132 5.039 1.00 0.00 O ATOM 872 CB ALA A 54 -2.755 0.846 4.261 1.00 0.00 C ATOM 0 H ALA A 54 -3.521 -1.458 3.822 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.840 0.349 6.030 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.687 1.906 4.505 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.853 0.337 4.601 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.853 0.727 3.182 1.00 0.00 H new ATOM 878 N THR A 55 -6.169 0.354 3.856 1.00 0.00 N ATOM 879 CA THR A 55 -7.468 0.897 3.502 1.00 0.00 C ATOM 880 C THR A 55 -8.106 1.654 4.667 1.00 0.00 C ATOM 881 O THR A 55 -8.432 2.827 4.514 1.00 0.00 O ATOM 882 CB THR A 55 -8.390 -0.224 2.993 1.00 0.00 C ATOM 883 OG1 THR A 55 -7.706 -1.078 2.096 1.00 0.00 O ATOM 884 CG2 THR A 55 -9.562 0.400 2.243 1.00 0.00 C ATOM 0 H THR A 55 -6.006 -0.575 3.468 1.00 0.00 H new ATOM 0 HA THR A 55 -7.323 1.620 2.699 1.00 0.00 H new ATOM 0 HB THR A 55 -8.730 -0.802 3.852 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.313 -1.783 1.788 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.221 -0.388 1.878 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.116 1.055 2.915 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.187 0.979 1.399 1.00 0.00 H new ATOM 892 N GLU A 56 -8.232 0.996 5.827 1.00 0.00 N ATOM 893 CA GLU A 56 -8.765 1.588 7.049 1.00 0.00 C ATOM 894 C GLU A 56 -8.239 3.013 7.260 1.00 0.00 C ATOM 895 O GLU A 56 -9.021 3.946 7.409 1.00 0.00 O ATOM 896 CB GLU A 56 -8.445 0.668 8.242 1.00 0.00 C ATOM 897 CG GLU A 56 -9.645 -0.230 8.577 1.00 0.00 C ATOM 898 CD GLU A 56 -9.289 -1.331 9.570 1.00 0.00 C ATOM 899 OE1 GLU A 56 -8.310 -1.125 10.320 1.00 0.00 O ATOM 900 OE2 GLU A 56 -10.017 -2.347 9.562 1.00 0.00 O ATOM 0 H GLU A 56 -7.960 0.019 5.939 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.848 1.675 6.961 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.578 0.051 8.008 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.182 1.271 9.111 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.448 0.381 8.989 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.025 -0.681 7.660 1.00 0.00 H new ATOM 907 N ASN A 57 -6.919 3.192 7.236 1.00 0.00 N ATOM 908 CA ASN A 57 -6.294 4.476 7.534 1.00 0.00 C ATOM 909 C ASN A 57 -6.407 5.429 6.343 1.00 0.00 C ATOM 910 O ASN A 57 -6.780 6.596 6.468 1.00 0.00 O ATOM 911 CB ASN A 57 -4.827 4.234 7.888 1.00 0.00 C ATOM 912 CG ASN A 57 -4.302 5.290 8.853 1.00 0.00 C ATOM 913 OD1 ASN A 57 -4.416 6.485 8.603 1.00 0.00 O ATOM 914 ND2 ASN A 57 -3.713 4.859 9.964 1.00 0.00 N ATOM 0 H ASN A 57 -6.255 2.451 7.010 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.807 4.941 8.376 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.718 3.246 8.335 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.227 4.241 6.978 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.341 5.529 10.637 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.633 3.858 10.144 1.00 0.00 H new ATOM 921 N PHE A 58 -6.084 4.903 5.159 1.00 0.00 N ATOM 922 CA PHE A 58 -6.158 5.628 3.900 1.00 0.00 C ATOM 923 C PHE A 58 -7.523 6.309 3.737 1.00 0.00 C ATOM 924 O PHE A 58 -7.576 7.461 3.292 1.00 0.00 O ATOM 925 CB PHE A 58 -5.850 4.653 2.760 1.00 0.00 C ATOM 926 CG PHE A 58 -5.911 5.243 1.364 1.00 0.00 C ATOM 927 CD1 PHE A 58 -4.854 6.037 0.881 1.00 0.00 C ATOM 928 CD2 PHE A 58 -7.012 4.967 0.532 1.00 0.00 C ATOM 929 CE1 PHE A 58 -4.888 6.537 -0.432 1.00 0.00 C ATOM 930 CE2 PHE A 58 -7.055 5.481 -0.774 1.00 0.00 C ATOM 931 CZ PHE A 58 -5.994 6.268 -1.257 1.00 0.00 C ATOM 0 H PHE A 58 -5.758 3.942 5.053 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.419 6.429 3.883 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.854 4.239 2.918 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -6.553 3.822 2.816 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -4.014 6.263 1.521 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.825 4.359 0.899 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.065 7.127 -0.807 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.904 5.272 -1.408 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.029 6.665 -2.261 1.00 0.00 H new ATOM 941 N GLU A 59 -8.592 5.601 4.131 1.00 0.00 N ATOM 942 CA GLU A 59 -9.979 6.044 4.093 1.00 0.00 C ATOM 943 C GLU A 59 -10.379 6.835 5.338 1.00 0.00 C ATOM 944 O GLU A 59 -11.163 7.772 5.212 1.00 0.00 O ATOM 945 CB GLU A 59 -10.914 4.837 3.962 1.00 0.00 C ATOM 946 CG GLU A 59 -10.910 4.247 2.550 1.00 0.00 C ATOM 947 CD GLU A 59 -11.527 5.187 1.517 1.00 0.00 C ATOM 948 OE1 GLU A 59 -12.626 5.709 1.810 1.00 0.00 O ATOM 949 OE2 GLU A 59 -10.885 5.383 0.460 1.00 0.00 O ATOM 0 H GLU A 59 -8.499 4.656 4.503 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.071 6.701 3.228 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.614 4.069 4.675 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.929 5.136 4.225 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.885 4.017 2.260 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.459 3.306 2.552 1.00 0.00 H new ATOM 956 N ASP A 60 -9.869 6.479 6.527 1.00 0.00 N ATOM 957 CA ASP A 60 -10.045 7.300 7.727 1.00 0.00 C ATOM 958 C ASP A 60 -9.754 8.762 7.383 1.00 0.00 C ATOM 959 O ASP A 60 -10.524 9.662 7.711 1.00 0.00 O ATOM 960 CB ASP A 60 -9.122 6.811 8.850 1.00 0.00 C ATOM 961 CG ASP A 60 -9.310 7.634 10.116 1.00 0.00 C ATOM 962 OD1 ASP A 60 -10.237 7.292 10.881 1.00 0.00 O ATOM 963 OD2 ASP A 60 -8.514 8.579 10.301 1.00 0.00 O ATOM 0 H ASP A 60 -9.331 5.626 6.680 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.073 7.214 8.079 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.327 5.762 9.062 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.084 6.873 8.524 1.00 0.00 H new ATOM 968 N VAL A 61 -8.667 8.965 6.633 1.00 0.00 N ATOM 969 CA VAL A 61 -8.351 10.244 6.021 1.00 0.00 C ATOM 970 C VAL A 61 -9.202 10.517 4.774 1.00 0.00 C ATOM 971 O VAL A 61 -9.757 11.606 4.648 1.00 0.00 O ATOM 972 CB VAL A 61 -6.836 10.338 5.807 1.00 0.00 C ATOM 973 CG1 VAL A 61 -6.448 11.549 4.946 1.00 0.00 C ATOM 974 CG2 VAL A 61 -6.137 10.449 7.168 1.00 0.00 C ATOM 0 H VAL A 61 -7.981 8.236 6.436 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.625 11.057 6.694 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.520 9.437 5.282 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.365 11.575 4.821 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.924 11.468 3.969 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.779 12.465 5.436 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.059 10.516 7.019 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.488 11.342 7.686 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.366 9.568 7.768 1.00 0.00 H new ATOM 984 N GLY A 62 -9.293 9.571 3.835 1.00 0.00 N ATOM 985 CA GLY A 62 -10.033 9.781 2.598 1.00 0.00 C ATOM 986 C GLY A 62 -9.204 10.679 1.689 1.00 0.00 C ATOM 987 O GLY A 62 -9.520 11.848 1.476 1.00 0.00 O ATOM 0 H GLY A 62 -8.860 8.651 3.913 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.233 8.828 2.109 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.999 10.241 2.807 1.00 0.00 H new ATOM 991 N HIS A 63 -8.093 10.121 1.204 1.00 0.00 N ATOM 992 CA HIS A 63 -7.035 10.841 0.512 1.00 0.00 C ATOM 993 C HIS A 63 -7.486 11.693 -0.684 1.00 0.00 C ATOM 994 O HIS A 63 -8.516 11.450 -1.312 1.00 0.00 O ATOM 995 CB HIS A 63 -5.990 9.831 0.039 1.00 0.00 C ATOM 996 CG HIS A 63 -4.944 9.500 1.067 1.00 0.00 C ATOM 997 ND1 HIS A 63 -5.131 8.861 2.273 1.00 0.00 N ATOM 998 CD2 HIS A 63 -3.608 9.750 0.927 1.00 0.00 C ATOM 999 CE1 HIS A 63 -3.913 8.740 2.838 1.00 0.00 C ATOM 1000 NE2 HIS A 63 -2.948 9.252 2.046 1.00 0.00 N ATOM 0 H HIS A 63 -7.904 9.122 1.288 1.00 0.00 H new ATOM 0 HA HIS A 63 -6.636 11.552 1.236 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -6.497 8.912 -0.257 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.498 10.224 -0.851 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -6.018 8.542 2.662 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.143 10.249 0.090 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.732 8.290 3.803 1.00 0.00 H new ATOM 1008 N SER A 64 -6.633 12.667 -1.022 1.00 0.00 N ATOM 1009 CA SER A 64 -6.777 13.555 -2.166 1.00 0.00 C ATOM 1010 C SER A 64 -6.776 12.812 -3.510 1.00 0.00 C ATOM 1011 O SER A 64 -6.450 11.626 -3.614 1.00 0.00 O ATOM 1012 CB SER A 64 -5.623 14.568 -2.159 1.00 0.00 C ATOM 1013 OG SER A 64 -4.409 13.894 -2.453 1.00 0.00 O ATOM 0 H SER A 64 -5.791 12.860 -0.479 1.00 0.00 H new ATOM 0 HA SER A 64 -7.744 14.048 -2.070 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.806 15.351 -2.895 1.00 0.00 H new ATOM 0 HB3 SER A 64 -5.556 15.055 -1.186 1.00 0.00 H new ATOM 0 HG SER A 64 -3.669 14.537 -2.451 1.00 0.00 H new ATOM 1019 N THR A 65 -7.074 13.571 -4.566 1.00 0.00 N ATOM 1020 CA THR A 65 -7.023 13.078 -5.937 1.00 0.00 C ATOM 1021 C THR A 65 -5.572 12.856 -6.382 1.00 0.00 C ATOM 1022 O THR A 65 -5.266 11.832 -6.995 1.00 0.00 O ATOM 1023 CB THR A 65 -7.785 14.031 -6.869 1.00 0.00 C ATOM 1024 OG1 THR A 65 -9.106 14.194 -6.388 1.00 0.00 O ATOM 1025 CG2 THR A 65 -7.869 13.463 -8.288 1.00 0.00 C ATOM 0 H THR A 65 -7.358 14.548 -4.491 1.00 0.00 H new ATOM 0 HA THR A 65 -7.517 12.108 -5.989 1.00 0.00 H new ATOM 0 HB THR A 65 -7.252 14.981 -6.891 1.00 0.00 H new ATOM 0 HG1 THR A 65 -9.596 14.803 -6.979 1.00 0.00 H new ATOM 0 HG21 THR A 65 -8.414 14.158 -8.927 1.00 0.00 H new ATOM 0 HG22 THR A 65 -6.863 13.320 -8.683 1.00 0.00 H new ATOM 0 HG23 THR A 65 -8.390 12.506 -8.267 1.00 0.00 H new ATOM 1033 N ASP A 66 -4.676 13.794 -6.048 1.00 0.00 N ATOM 1034 CA ASP A 66 -3.248 13.666 -6.322 1.00 0.00 C ATOM 1035 C ASP A 66 -2.770 12.302 -5.851 1.00 0.00 C ATOM 1036 O ASP A 66 -2.191 11.534 -6.618 1.00 0.00 O ATOM 1037 CB ASP A 66 -2.451 14.763 -5.597 1.00 0.00 C ATOM 1038 CG ASP A 66 -2.121 15.920 -6.524 1.00 0.00 C ATOM 1039 OD1 ASP A 66 -3.086 16.602 -6.934 1.00 0.00 O ATOM 1040 OD2 ASP A 66 -0.915 16.097 -6.802 1.00 0.00 O ATOM 0 H ASP A 66 -4.927 14.664 -5.579 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.087 13.772 -7.395 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.026 15.130 -4.747 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.528 14.340 -5.199 1.00 0.00 H new ATOM 1045 N ALA A 67 -3.050 11.994 -4.581 1.00 0.00 N ATOM 1046 CA ALA A 67 -2.717 10.700 -4.021 1.00 0.00 C ATOM 1047 C ALA A 67 -3.273 9.577 -4.887 1.00 0.00 C ATOM 1048 O ALA A 67 -2.489 8.757 -5.335 1.00 0.00 O ATOM 1049 CB ALA A 67 -3.213 10.583 -2.588 1.00 0.00 C ATOM 0 H ALA A 67 -3.507 12.631 -3.928 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.631 10.607 -4.006 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.950 9.602 -2.191 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.749 11.358 -1.978 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.296 10.705 -2.567 1.00 0.00 H new ATOM 1055 N ARG A 68 -4.587 9.538 -5.143 1.00 0.00 N ATOM 1056 CA ARG A 68 -5.202 8.523 -6.005 1.00 0.00 C ATOM 1057 C ARG A 68 -4.394 8.275 -7.284 1.00 0.00 C ATOM 1058 O ARG A 68 -4.094 7.124 -7.610 1.00 0.00 O ATOM 1059 CB ARG A 68 -6.646 8.920 -6.354 1.00 0.00 C ATOM 1060 CG ARG A 68 -7.650 8.452 -5.290 1.00 0.00 C ATOM 1061 CD ARG A 68 -8.551 7.296 -5.772 1.00 0.00 C ATOM 1062 NE ARG A 68 -9.974 7.676 -5.728 1.00 0.00 N ATOM 1063 CZ ARG A 68 -10.992 6.939 -6.200 1.00 0.00 C ATOM 1064 NH1 ARG A 68 -10.747 5.765 -6.790 1.00 0.00 N ATOM 1065 NH2 ARG A 68 -12.251 7.376 -6.081 1.00 0.00 N ATOM 0 H ARG A 68 -5.252 10.209 -4.758 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.211 7.589 -5.444 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.708 10.003 -6.458 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.916 8.491 -7.319 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.106 8.133 -4.401 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -8.276 9.294 -4.995 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.277 7.018 -6.790 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.387 6.418 -5.147 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.205 8.574 -5.303 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.788 5.430 -6.881 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -11.519 5.204 -7.149 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -12.440 8.272 -5.631 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -13.022 6.814 -6.441 1.00 0.00 H new ATOM 1079 N GLU A 69 -4.055 9.339 -8.014 1.00 0.00 N ATOM 1080 CA GLU A 69 -3.258 9.199 -9.223 1.00 0.00 C ATOM 1081 C GLU A 69 -1.869 8.637 -8.893 1.00 0.00 C ATOM 1082 O GLU A 69 -1.406 7.685 -9.523 1.00 0.00 O ATOM 1083 CB GLU A 69 -3.201 10.540 -9.963 1.00 0.00 C ATOM 1084 CG GLU A 69 -4.568 10.834 -10.601 1.00 0.00 C ATOM 1085 CD GLU A 69 -4.625 12.190 -11.292 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -3.539 12.724 -11.603 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -5.765 12.650 -11.516 1.00 0.00 O ATOM 0 H GLU A 69 -4.320 10.298 -7.788 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.728 8.479 -9.893 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.932 11.338 -9.271 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.428 10.511 -10.731 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.800 10.053 -11.326 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.338 10.793 -9.831 1.00 0.00 H new ATOM 1094 N LEU A 70 -1.212 9.196 -7.876 1.00 0.00 N ATOM 1095 CA LEU A 70 0.115 8.774 -7.454 1.00 0.00 C ATOM 1096 C LEU A 70 0.139 7.287 -7.078 1.00 0.00 C ATOM 1097 O LEU A 70 1.081 6.577 -7.423 1.00 0.00 O ATOM 1098 CB LEU A 70 0.599 9.656 -6.295 1.00 0.00 C ATOM 1099 CG LEU A 70 2.129 9.772 -6.261 1.00 0.00 C ATOM 1100 CD1 LEU A 70 2.649 10.581 -7.459 1.00 0.00 C ATOM 1101 CD2 LEU A 70 2.555 10.448 -4.953 1.00 0.00 C ATOM 0 H LEU A 70 -1.594 9.961 -7.320 1.00 0.00 H new ATOM 0 HA LEU A 70 0.801 8.898 -8.292 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.162 10.650 -6.389 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.246 9.241 -5.351 1.00 0.00 H new ATOM 0 HG LEU A 70 2.556 8.771 -6.319 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.736 10.647 -7.409 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.358 10.087 -8.386 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.223 11.584 -7.433 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.641 10.533 -4.924 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.112 11.442 -4.896 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.215 9.850 -4.107 1.00 0.00 H new ATOM 1113 N SER A 71 -0.900 6.793 -6.402 1.00 0.00 N ATOM 1114 CA SER A 71 -1.062 5.388 -6.091 1.00 0.00 C ATOM 1115 C SER A 71 -0.910 4.558 -7.359 1.00 0.00 C ATOM 1116 O SER A 71 -0.185 3.571 -7.363 1.00 0.00 O ATOM 1117 CB SER A 71 -2.425 5.141 -5.438 1.00 0.00 C ATOM 1118 OG SER A 71 -2.728 6.155 -4.504 1.00 0.00 O ATOM 0 H SER A 71 -1.661 7.376 -6.053 1.00 0.00 H new ATOM 0 HA SER A 71 -0.289 5.087 -5.384 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.199 5.105 -6.205 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.424 4.171 -4.940 1.00 0.00 H new ATOM 0 HG SER A 71 -3.603 5.977 -4.101 1.00 0.00 H new ATOM 1124 N LYS A 72 -1.550 4.967 -8.459 1.00 0.00 N ATOM 1125 CA LYS A 72 -1.393 4.258 -9.719 1.00 0.00 C ATOM 1126 C LYS A 72 0.085 4.153 -10.103 1.00 0.00 C ATOM 1127 O LYS A 72 0.558 3.070 -10.424 1.00 0.00 O ATOM 1128 CB LYS A 72 -2.247 4.884 -10.830 1.00 0.00 C ATOM 1129 CG LYS A 72 -3.214 3.826 -11.374 1.00 0.00 C ATOM 1130 CD LYS A 72 -4.009 4.364 -12.568 1.00 0.00 C ATOM 1131 CE LYS A 72 -4.807 3.220 -13.212 1.00 0.00 C ATOM 1132 NZ LYS A 72 -5.750 3.709 -14.239 1.00 0.00 N ATOM 0 H LYS A 72 -2.172 5.775 -8.497 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.763 3.242 -9.586 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.803 5.737 -10.442 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.608 5.257 -11.631 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.656 2.940 -11.675 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.901 3.518 -10.586 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.685 5.154 -12.241 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -3.332 4.806 -13.299 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -4.117 2.507 -13.664 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.359 2.684 -12.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.267 2.904 -14.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.425 4.370 -13.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -5.222 4.198 -14.990 1.00 0.00 H new ATOM 1146 N THR A 73 0.839 5.247 -9.999 1.00 0.00 N ATOM 1147 CA THR A 73 2.284 5.237 -10.210 1.00 0.00 C ATOM 1148 C THR A 73 3.027 4.237 -9.299 1.00 0.00 C ATOM 1149 O THR A 73 4.130 3.816 -9.645 1.00 0.00 O ATOM 1150 CB THR A 73 2.802 6.688 -10.124 1.00 0.00 C ATOM 1151 OG1 THR A 73 2.594 7.311 -11.377 1.00 0.00 O ATOM 1152 CG2 THR A 73 4.271 6.819 -9.726 1.00 0.00 C ATOM 0 H THR A 73 0.463 6.166 -9.766 1.00 0.00 H new ATOM 0 HA THR A 73 2.502 4.859 -11.209 1.00 0.00 H new ATOM 0 HB THR A 73 2.241 7.174 -9.326 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.916 8.236 -11.340 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.546 7.873 -9.691 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.423 6.372 -8.744 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.894 6.306 -10.459 1.00 0.00 H new ATOM 1160 N TYR A 74 2.448 3.824 -8.166 1.00 0.00 N ATOM 1161 CA TYR A 74 3.049 2.857 -7.249 1.00 0.00 C ATOM 1162 C TYR A 74 2.454 1.459 -7.409 1.00 0.00 C ATOM 1163 O TYR A 74 2.910 0.521 -6.752 1.00 0.00 O ATOM 1164 CB TYR A 74 2.859 3.338 -5.808 1.00 0.00 C ATOM 1165 CG TYR A 74 3.684 4.557 -5.463 1.00 0.00 C ATOM 1166 CD1 TYR A 74 5.087 4.462 -5.474 1.00 0.00 C ATOM 1167 CD2 TYR A 74 3.068 5.760 -5.073 1.00 0.00 C ATOM 1168 CE1 TYR A 74 5.868 5.605 -5.248 1.00 0.00 C ATOM 1169 CE2 TYR A 74 3.857 6.881 -4.766 1.00 0.00 C ATOM 1170 CZ TYR A 74 5.248 6.826 -4.952 1.00 0.00 C ATOM 1171 OH TYR A 74 6.006 7.949 -4.840 1.00 0.00 O ATOM 0 H TYR A 74 1.535 4.159 -7.858 1.00 0.00 H new ATOM 0 HA TYR A 74 4.110 2.788 -7.489 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.805 3.565 -5.646 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.120 2.528 -5.126 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.563 3.510 -5.656 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.992 5.822 -5.010 1.00 0.00 H new ATOM 0 HE1 TYR A 74 6.945 5.544 -5.302 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.396 7.782 -4.388 1.00 0.00 H new ATOM 0 HH TYR A 74 6.162 8.145 -3.893 1.00 0.00 H new ATOM 1181 N ILE A 75 1.416 1.313 -8.237 1.00 0.00 N ATOM 1182 CA ILE A 75 0.721 0.052 -8.396 1.00 0.00 C ATOM 1183 C ILE A 75 1.695 -0.990 -8.935 1.00 0.00 C ATOM 1184 O ILE A 75 2.271 -0.812 -10.006 1.00 0.00 O ATOM 1185 CB ILE A 75 -0.542 0.252 -9.243 1.00 0.00 C ATOM 1186 CG1 ILE A 75 -1.569 -0.824 -8.857 1.00 0.00 C ATOM 1187 CG2 ILE A 75 -0.286 0.227 -10.758 1.00 0.00 C ATOM 1188 CD1 ILE A 75 -2.882 -0.631 -9.606 1.00 0.00 C ATOM 0 H ILE A 75 1.042 2.069 -8.810 1.00 0.00 H new ATOM 0 HA ILE A 75 0.366 -0.330 -7.439 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.921 1.251 -9.028 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.164 -1.812 -9.077 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.752 -0.787 -7.783 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.227 0.375 -11.288 1.00 0.00 H new ATOM 0 HG22 ILE A 75 0.409 1.024 -11.023 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.141 -0.736 -11.039 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.587 -1.408 -9.311 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.298 0.347 -9.365 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.701 -0.694 -10.679 1.00 0.00 H new ATOM 1200 N ILE A 76 1.907 -2.066 -8.180 1.00 0.00 N ATOM 1201 CA ILE A 76 2.741 -3.159 -8.659 1.00 0.00 C ATOM 1202 C ILE A 76 1.856 -4.151 -9.391 1.00 0.00 C ATOM 1203 O ILE A 76 2.126 -4.470 -10.548 1.00 0.00 O ATOM 1204 CB ILE A 76 3.598 -3.779 -7.539 1.00 0.00 C ATOM 1205 CG1 ILE A 76 2.914 -3.724 -6.161 1.00 0.00 C ATOM 1206 CG2 ILE A 76 4.928 -3.011 -7.518 1.00 0.00 C ATOM 1207 CD1 ILE A 76 3.593 -4.590 -5.097 1.00 0.00 C ATOM 0 H ILE A 76 1.518 -2.201 -7.247 1.00 0.00 H new ATOM 0 HA ILE A 76 3.480 -2.783 -9.366 1.00 0.00 H new ATOM 0 HB ILE A 76 3.750 -4.839 -7.744 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.895 -2.690 -5.816 1.00 0.00 H new ATOM 0 HG13 ILE A 76 1.877 -4.043 -6.268 1.00 0.00 H new ATOM 0 HG21 ILE A 76 5.570 -3.417 -6.737 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.423 -3.113 -8.484 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.736 -1.957 -7.318 1.00 0.00 H new ATOM 0 HD11 ILE A 76 3.053 -4.498 -4.154 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.588 -5.632 -5.418 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.622 -4.258 -4.960 1.00 0.00 H new ATOM 1219 N GLY A 77 0.787 -4.597 -8.729 1.00 0.00 N ATOM 1220 CA GLY A 77 -0.222 -5.464 -9.303 1.00 0.00 C ATOM 1221 C GLY A 77 -1.472 -5.408 -8.430 1.00 0.00 C ATOM 1222 O GLY A 77 -1.940 -4.314 -8.115 1.00 0.00 O ATOM 0 H GLY A 77 0.602 -4.355 -7.756 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.457 -5.148 -10.319 1.00 0.00 H new ATOM 0 HA3 GLY A 77 0.150 -6.487 -9.365 1.00 0.00 H new ATOM 1226 N GLU A 78 -1.995 -6.565 -8.020 1.00 0.00 N ATOM 1227 CA GLU A 78 -3.296 -6.669 -7.369 1.00 0.00 C ATOM 1228 C GLU A 78 -3.289 -7.805 -6.347 1.00 0.00 C ATOM 1229 O GLU A 78 -2.290 -8.505 -6.188 1.00 0.00 O ATOM 1230 CB GLU A 78 -4.397 -6.874 -8.425 1.00 0.00 C ATOM 1231 CG GLU A 78 -4.646 -5.614 -9.265 1.00 0.00 C ATOM 1232 CD GLU A 78 -5.979 -5.682 -10.002 1.00 0.00 C ATOM 1233 OE1 GLU A 78 -6.318 -6.795 -10.461 1.00 0.00 O ATOM 1234 OE2 GLU A 78 -6.631 -4.619 -10.089 1.00 0.00 O ATOM 0 H GLU A 78 -1.521 -7.461 -8.133 1.00 0.00 H new ATOM 0 HA GLU A 78 -3.505 -5.742 -6.835 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.116 -7.696 -9.083 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.323 -7.165 -7.929 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.632 -4.737 -8.618 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.838 -5.491 -9.986 1.00 0.00 H new ATOM 1241 N LEU A 79 -4.406 -7.974 -5.637 1.00 0.00 N ATOM 1242 CA LEU A 79 -4.577 -9.056 -4.681 1.00 0.00 C ATOM 1243 C LEU A 79 -4.836 -10.363 -5.426 1.00 0.00 C ATOM 1244 O LEU A 79 -5.591 -10.391 -6.397 1.00 0.00 O ATOM 1245 CB LEU A 79 -5.724 -8.729 -3.710 1.00 0.00 C ATOM 1246 CG LEU A 79 -5.347 -7.589 -2.751 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -6.586 -7.034 -2.039 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -4.340 -8.051 -1.691 1.00 0.00 C ATOM 0 H LEU A 79 -5.217 -7.360 -5.713 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.666 -9.171 -4.094 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.612 -8.450 -4.277 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -5.979 -9.619 -3.135 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.892 -6.808 -3.361 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -6.289 -6.229 -1.367 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.289 -6.649 -2.778 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.062 -7.829 -1.465 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.098 -7.218 -1.032 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.774 -8.862 -1.106 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.432 -8.402 -2.181 1.00 0.00 H new ATOM 1260 N HIS A 80 -4.187 -11.443 -4.991 1.00 0.00 N ATOM 1261 CA HIS A 80 -4.305 -12.751 -5.615 1.00 0.00 C ATOM 1262 C HIS A 80 -5.762 -13.226 -5.644 1.00 0.00 C ATOM 1263 O HIS A 80 -6.471 -13.081 -4.646 1.00 0.00 O ATOM 1264 CB HIS A 80 -3.409 -13.747 -4.870 1.00 0.00 C ATOM 1265 CG HIS A 80 -2.967 -14.929 -5.686 1.00 0.00 C ATOM 1266 ND1 HIS A 80 -3.282 -16.247 -5.454 1.00 0.00 N ATOM 1267 CD2 HIS A 80 -2.098 -14.894 -6.743 1.00 0.00 C ATOM 1268 CE1 HIS A 80 -2.642 -16.984 -6.379 1.00 0.00 C ATOM 1269 NE2 HIS A 80 -1.918 -16.202 -7.195 1.00 0.00 N ATOM 0 H HIS A 80 -3.559 -11.429 -4.187 1.00 0.00 H new ATOM 0 HA HIS A 80 -3.975 -12.682 -6.652 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -2.525 -13.220 -4.510 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -3.944 -14.109 -3.992 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -1.634 -14.010 -7.155 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -2.702 -18.060 -6.455 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -1.350 -16.503 -7.987 1.00 0.00 H new ATOM 1277 N PRO A 81 -6.220 -13.829 -6.756 1.00 0.00 N ATOM 1278 CA PRO A 81 -7.606 -14.233 -6.897 1.00 0.00 C ATOM 1279 C PRO A 81 -8.004 -15.309 -5.884 1.00 0.00 C ATOM 1280 O PRO A 81 -9.190 -15.487 -5.617 1.00 0.00 O ATOM 1281 CB PRO A 81 -7.788 -14.678 -8.350 1.00 0.00 C ATOM 1282 CG PRO A 81 -6.375 -15.022 -8.818 1.00 0.00 C ATOM 1283 CD PRO A 81 -5.465 -14.151 -7.956 1.00 0.00 C ATOM 0 HA PRO A 81 -8.276 -13.402 -6.676 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -8.452 -15.539 -8.422 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.226 -13.886 -8.957 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -6.158 -16.081 -8.680 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -6.244 -14.805 -9.878 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.545 -14.679 -7.706 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.177 -13.245 -8.488 1.00 0.00 H new