USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 555 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 222 THR OG1 : rot -13:sc= 0.759 USER MOD Set 1.2: A 225 CYS SG : rot -150:sc= 0.959 USER MOD Set 2.1: A 184 THR OG1 : rot 180:sc= 0.189 USER MOD Set 2.2: A 187 THR OG1 : rot 102:sc= 0.223 USER MOD Single : A 164 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 168 LYS NZ :NH3+ -129:sc= -0.26 (180deg=-1.02) USER MOD Single : A 171 ASN : amide:sc= -0.448 X(o=-0.45,f=0) USER MOD Single : A 173 THR OG1 : rot 180:sc= -0.0781 USER MOD Single : A 189 LYS NZ :NH3+ -112:sc= -3.89! (180deg=-7.7!) USER MOD Single : A 190 SER OG : rot 64:sc= 0.601 USER MOD Single : A 191 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 192 TYR OH : rot 159:sc= -0.0311 USER MOD Single : A 196 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 198 SER OG : rot 180:sc= -0.122 USER MOD Single : A 199 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 200 MET CE :methyl -118:sc= -0.56 (180deg=-2.15!) USER MOD Single : A 201 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 204 TYR OH : rot 58:sc= 1.05 USER MOD Single : A 205 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 210 GLN : amide:sc= -0.782 X(o=-0.78,f=-0.95) USER MOD Single : A 215 THR OG1 : rot 180:sc= 0 USER MOD Single : A 217 SER OG : rot -97:sc= 0.909 USER MOD Single : A 218 SER OG : rot 180:sc= 0 USER MOD Single : A 220 ASN : amide:sc=-0.00365 K(o=-0.0037,f=-1.3) USER MOD Single : A 223 ASN : amide:sc= -0.0068 X(o=-0.0068,f=-0.26) USER MOD Single : A 224 ASN : amide:sc= -0.0938 X(o=-0.094,f=-0.35) USER MOD Single : A 228 HIS : no HD1:sc= -0.348 K(o=-0.35,f=-1.1) USER MOD Single : A 229 CYS SG : rot 176:sc= 0 USER MOD Single : A 230 HIS : no HD1:sc= -3.22! X(o=-3.2!,f=-2.9) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 162 0.843 -16.143 3.564 1.00 0.00 N ATOM 60 CA GLY A 162 1.349 -15.062 2.738 1.00 0.00 C ATOM 61 C GLY A 162 2.422 -14.252 3.436 1.00 0.00 C ATOM 62 O GLY A 162 2.780 -14.537 4.579 1.00 0.00 O ATOM 0 HA2 GLY A 162 1.753 -15.474 1.813 1.00 0.00 H new ATOM 0 HA3 GLY A 162 0.525 -14.405 2.461 1.00 0.00 H new ATOM 66 N ILE A 163 2.938 -13.239 2.748 1.00 0.00 N ATOM 67 CA ILE A 163 3.978 -12.385 3.309 1.00 0.00 C ATOM 68 C ILE A 163 3.391 -11.079 3.835 1.00 0.00 C ATOM 69 O ILE A 163 2.362 -10.610 3.352 1.00 0.00 O ATOM 70 CB ILE A 163 5.066 -12.063 2.268 1.00 0.00 C ATOM 71 CG1 ILE A 163 4.443 -11.411 1.032 1.00 0.00 C ATOM 72 CG2 ILE A 163 5.821 -13.327 1.883 1.00 0.00 C ATOM 73 CD1 ILE A 163 5.441 -11.121 -0.066 1.00 0.00 C ATOM 0 H ILE A 163 2.653 -12.990 1.801 1.00 0.00 H new ATOM 0 HA ILE A 163 4.429 -12.937 4.134 1.00 0.00 H new ATOM 0 HB ILE A 163 5.773 -11.360 2.709 1.00 0.00 H new ATOM 0 HG12 ILE A 163 3.664 -12.065 0.640 1.00 0.00 H new ATOM 0 HG13 ILE A 163 3.959 -10.480 1.327 1.00 0.00 H new ATOM 0 HG21 ILE A 163 6.587 -13.083 1.146 1.00 0.00 H new ATOM 0 HG22 ILE A 163 6.292 -13.753 2.769 1.00 0.00 H new ATOM 0 HG23 ILE A 163 5.126 -14.051 1.458 1.00 0.00 H new ATOM 0 HD11 ILE A 163 4.929 -10.660 -0.910 1.00 0.00 H new ATOM 0 HD12 ILE A 163 6.207 -10.442 0.309 1.00 0.00 H new ATOM 0 HD13 ILE A 163 5.907 -12.052 -0.389 1.00 0.00 H new ATOM 85 N ASN A 164 4.056 -10.497 4.828 1.00 0.00 N ATOM 86 CA ASN A 164 3.601 -9.244 5.420 1.00 0.00 C ATOM 87 C ASN A 164 4.356 -8.057 4.828 1.00 0.00 C ATOM 88 O ASN A 164 5.556 -8.140 4.564 1.00 0.00 O ATOM 89 CB ASN A 164 3.788 -9.275 6.938 1.00 0.00 C ATOM 90 CG ASN A 164 2.600 -9.888 7.654 1.00 0.00 C ATOM 91 OD1 ASN A 164 2.517 -11.106 7.812 1.00 0.00 O ATOM 92 ND2 ASN A 164 1.673 -9.044 8.092 1.00 0.00 N ATOM 0 H ASN A 164 4.911 -10.872 5.239 1.00 0.00 H new ATOM 0 HA ASN A 164 2.541 -9.128 5.193 1.00 0.00 H new ATOM 0 HB2 ASN A 164 4.687 -9.843 7.179 1.00 0.00 H new ATOM 0 HB3 ASN A 164 3.945 -8.260 7.303 1.00 0.00 H new ATOM 0 HD21 ASN A 164 0.851 -9.398 8.582 1.00 0.00 H new ATOM 0 HD22 ASN A 164 1.783 -8.042 7.939 1.00 0.00 H new ATOM 99 N VAL A 165 3.645 -6.953 4.622 1.00 0.00 N ATOM 100 CA VAL A 165 4.247 -5.749 4.063 1.00 0.00 C ATOM 101 C VAL A 165 3.891 -4.520 4.893 1.00 0.00 C ATOM 102 O VAL A 165 2.746 -4.352 5.311 1.00 0.00 O ATOM 103 CB VAL A 165 3.798 -5.520 2.608 1.00 0.00 C ATOM 104 CG1 VAL A 165 4.510 -4.315 2.012 1.00 0.00 C ATOM 105 CG2 VAL A 165 4.048 -6.765 1.771 1.00 0.00 C ATOM 0 H VAL A 165 2.651 -6.868 4.834 1.00 0.00 H new ATOM 0 HA VAL A 165 5.327 -5.897 4.083 1.00 0.00 H new ATOM 0 HB VAL A 165 2.727 -5.317 2.605 1.00 0.00 H new ATOM 0 HG11 VAL A 165 4.180 -4.169 0.984 1.00 0.00 H new ATOM 0 HG12 VAL A 165 4.275 -3.427 2.598 1.00 0.00 H new ATOM 0 HG13 VAL A 165 5.587 -4.485 2.027 1.00 0.00 H new ATOM 0 HG21 VAL A 165 3.725 -6.585 0.746 1.00 0.00 H new ATOM 0 HG22 VAL A 165 5.112 -7.002 1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 165 3.487 -7.602 2.187 1.00 0.00 H new ATOM 115 N ARG A 166 4.880 -3.664 5.126 1.00 0.00 N ATOM 116 CA ARG A 166 4.672 -2.450 5.907 1.00 0.00 C ATOM 117 C ARG A 166 4.544 -1.233 4.995 1.00 0.00 C ATOM 118 O ARG A 166 5.488 -0.867 4.294 1.00 0.00 O ATOM 119 CB ARG A 166 5.826 -2.246 6.890 1.00 0.00 C ATOM 120 CG ARG A 166 6.059 -3.432 7.810 1.00 0.00 C ATOM 121 CD ARG A 166 7.115 -3.123 8.861 1.00 0.00 C ATOM 122 NE ARG A 166 8.468 -3.337 8.356 1.00 0.00 N ATOM 123 CZ ARG A 166 9.553 -2.816 8.919 1.00 0.00 C ATOM 124 NH1 ARG A 166 9.444 -2.056 10.000 1.00 0.00 N ATOM 125 NH2 ARG A 166 10.751 -3.056 8.401 1.00 0.00 N ATOM 0 H ARG A 166 5.833 -3.788 4.785 1.00 0.00 H new ATOM 0 HA ARG A 166 3.744 -2.562 6.467 1.00 0.00 H new ATOM 0 HB2 ARG A 166 6.739 -2.047 6.329 1.00 0.00 H new ATOM 0 HB3 ARG A 166 5.625 -1.362 7.495 1.00 0.00 H new ATOM 0 HG2 ARG A 166 5.124 -3.702 8.301 1.00 0.00 H new ATOM 0 HG3 ARG A 166 6.371 -4.295 7.221 1.00 0.00 H new ATOM 0 HD2 ARG A 166 7.009 -2.089 9.188 1.00 0.00 H new ATOM 0 HD3 ARG A 166 6.951 -3.752 9.736 1.00 0.00 H new ATOM 0 HE ARG A 166 8.587 -3.918 7.526 1.00 0.00 H new ATOM 0 HH11 ARG A 166 8.525 -1.870 10.402 1.00 0.00 H new ATOM 0 HH12 ARG A 166 10.279 -1.658 10.430 1.00 0.00 H new ATOM 0 HH21 ARG A 166 10.839 -3.641 7.570 1.00 0.00 H new ATOM 0 HH22 ARG A 166 11.583 -2.656 8.834 1.00 0.00 H new ATOM 139 N LEU A 167 3.370 -0.611 5.010 1.00 0.00 N ATOM 140 CA LEU A 167 3.118 0.565 4.184 1.00 0.00 C ATOM 141 C LEU A 167 3.580 1.836 4.891 1.00 0.00 C ATOM 142 O LEU A 167 2.940 2.304 5.833 1.00 0.00 O ATOM 143 CB LEU A 167 1.629 0.667 3.849 1.00 0.00 C ATOM 144 CG LEU A 167 1.074 -0.413 2.920 1.00 0.00 C ATOM 145 CD1 LEU A 167 -0.438 -0.507 3.053 1.00 0.00 C ATOM 146 CD2 LEU A 167 1.467 -0.128 1.477 1.00 0.00 C ATOM 0 H LEU A 167 2.578 -0.901 5.584 1.00 0.00 H new ATOM 0 HA LEU A 167 3.686 0.458 3.260 1.00 0.00 H new ATOM 0 HB2 LEU A 167 1.065 0.641 4.781 1.00 0.00 H new ATOM 0 HB3 LEU A 167 1.446 1.640 3.393 1.00 0.00 H new ATOM 0 HG LEU A 167 1.504 -1.371 3.211 1.00 0.00 H new ATOM 0 HD11 LEU A 167 -0.815 -1.281 2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 167 -0.698 -0.758 4.081 1.00 0.00 H new ATOM 0 HD13 LEU A 167 -0.887 0.451 2.789 1.00 0.00 H new ATOM 0 HD21 LEU A 167 1.064 -0.907 0.830 1.00 0.00 H new ATOM 0 HD22 LEU A 167 1.066 0.839 1.175 1.00 0.00 H new ATOM 0 HD23 LEU A 167 2.554 -0.112 1.392 1.00 0.00 H new ATOM 158 N LYS A 168 4.695 2.391 4.428 1.00 0.00 N ATOM 159 CA LYS A 168 5.242 3.610 5.012 1.00 0.00 C ATOM 160 C LYS A 168 4.852 4.832 4.187 1.00 0.00 C ATOM 161 O LYS A 168 4.950 4.822 2.960 1.00 0.00 O ATOM 162 CB LYS A 168 6.766 3.513 5.110 1.00 0.00 C ATOM 163 CG LYS A 168 7.369 4.441 6.151 1.00 0.00 C ATOM 164 CD LYS A 168 7.613 5.830 5.586 1.00 0.00 C ATOM 165 CE LYS A 168 9.001 5.947 4.974 1.00 0.00 C ATOM 166 NZ LYS A 168 10.072 5.659 5.969 1.00 0.00 N ATOM 0 H LYS A 168 5.238 2.016 3.650 1.00 0.00 H new ATOM 0 HA LYS A 168 4.825 3.722 6.013 1.00 0.00 H new ATOM 0 HB2 LYS A 168 7.042 2.486 5.348 1.00 0.00 H new ATOM 0 HB3 LYS A 168 7.200 3.742 4.137 1.00 0.00 H new ATOM 0 HG2 LYS A 168 6.701 4.509 7.010 1.00 0.00 H new ATOM 0 HG3 LYS A 168 8.309 4.023 6.511 1.00 0.00 H new ATOM 0 HD2 LYS A 168 6.861 6.054 4.830 1.00 0.00 H new ATOM 0 HD3 LYS A 168 7.499 6.571 6.377 1.00 0.00 H new ATOM 0 HE2 LYS A 168 9.088 5.255 4.136 1.00 0.00 H new ATOM 0 HE3 LYS A 168 9.138 6.951 4.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 168 10.772 6.428 5.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 168 9.653 5.585 6.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 168 10.540 4.762 5.726 1.00 0.00 H new ATOM 180 N PHE A 169 4.410 5.884 4.868 1.00 0.00 N ATOM 181 CA PHE A 169 4.006 7.114 4.198 1.00 0.00 C ATOM 182 C PHE A 169 5.030 8.221 4.428 1.00 0.00 C ATOM 183 O PHE A 169 5.891 8.114 5.303 1.00 0.00 O ATOM 184 CB PHE A 169 2.631 7.564 4.697 1.00 0.00 C ATOM 185 CG PHE A 169 1.549 6.546 4.472 1.00 0.00 C ATOM 186 CD1 PHE A 169 1.404 5.468 5.330 1.00 0.00 C ATOM 187 CD2 PHE A 169 0.677 6.669 3.402 1.00 0.00 C ATOM 188 CE1 PHE A 169 0.410 4.530 5.124 1.00 0.00 C ATOM 189 CE2 PHE A 169 -0.319 5.734 3.191 1.00 0.00 C ATOM 190 CZ PHE A 169 -0.453 4.664 4.054 1.00 0.00 C ATOM 0 H PHE A 169 4.323 5.909 5.884 1.00 0.00 H new ATOM 0 HA PHE A 169 3.949 6.913 3.128 1.00 0.00 H new ATOM 0 HB2 PHE A 169 2.695 7.786 5.762 1.00 0.00 H new ATOM 0 HB3 PHE A 169 2.357 8.491 4.194 1.00 0.00 H new ATOM 0 HD1 PHE A 169 2.075 5.359 6.169 1.00 0.00 H new ATOM 0 HD2 PHE A 169 0.777 7.505 2.725 1.00 0.00 H new ATOM 0 HE1 PHE A 169 0.308 3.693 5.799 1.00 0.00 H new ATOM 0 HE2 PHE A 169 -0.991 5.840 2.353 1.00 0.00 H new ATOM 0 HZ PHE A 169 -1.232 3.933 3.892 1.00 0.00 H new ATOM 200 N LEU A 170 4.931 9.284 3.637 1.00 0.00 N ATOM 201 CA LEU A 170 5.849 10.412 3.754 1.00 0.00 C ATOM 202 C LEU A 170 5.623 11.166 5.060 1.00 0.00 C ATOM 203 O LEU A 170 6.382 12.070 5.406 1.00 0.00 O ATOM 204 CB LEU A 170 5.674 11.361 2.567 1.00 0.00 C ATOM 205 CG LEU A 170 6.156 10.839 1.213 1.00 0.00 C ATOM 206 CD1 LEU A 170 5.645 11.724 0.087 1.00 0.00 C ATOM 207 CD2 LEU A 170 7.676 10.759 1.183 1.00 0.00 C ATOM 0 H LEU A 170 4.225 9.388 2.908 1.00 0.00 H new ATOM 0 HA LEU A 170 6.867 10.022 3.754 1.00 0.00 H new ATOM 0 HB2 LEU A 170 4.617 11.612 2.481 1.00 0.00 H new ATOM 0 HB3 LEU A 170 6.205 12.287 2.787 1.00 0.00 H new ATOM 0 HG LEU A 170 5.756 9.835 1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 170 5.998 11.337 -0.869 1.00 0.00 H new ATOM 0 HD12 LEU A 170 4.555 11.731 0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 170 6.015 12.740 0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 170 8.002 10.386 0.212 1.00 0.00 H new ATOM 0 HD22 LEU A 170 8.096 11.751 1.350 1.00 0.00 H new ATOM 0 HD23 LEU A 170 8.020 10.083 1.966 1.00 0.00 H new ATOM 219 N ASN A 171 4.574 10.785 5.783 1.00 0.00 N ATOM 220 CA ASN A 171 4.249 11.425 7.053 1.00 0.00 C ATOM 221 C ASN A 171 5.001 10.763 8.203 1.00 0.00 C ATOM 222 O ASN A 171 4.688 10.987 9.373 1.00 0.00 O ATOM 223 CB ASN A 171 2.742 11.359 7.309 1.00 0.00 C ATOM 224 CG ASN A 171 1.931 11.827 6.116 1.00 0.00 C ATOM 225 OD1 ASN A 171 1.638 13.015 5.978 1.00 0.00 O ATOM 226 ND2 ASN A 171 1.566 10.893 5.246 1.00 0.00 N ATOM 0 H ASN A 171 3.935 10.037 5.511 1.00 0.00 H new ATOM 0 HA ASN A 171 4.556 12.469 6.995 1.00 0.00 H new ATOM 0 HB2 ASN A 171 2.463 10.335 7.555 1.00 0.00 H new ATOM 0 HB3 ASN A 171 2.496 11.973 8.175 1.00 0.00 H new ATOM 0 HD21 ASN A 171 1.020 11.148 4.423 1.00 0.00 H new ATOM 0 HD22 ASN A 171 1.831 9.920 5.401 1.00 0.00 H new ATOM 233 N ASP A 172 5.993 9.948 7.863 1.00 0.00 N ATOM 234 CA ASP A 172 6.791 9.254 8.867 1.00 0.00 C ATOM 235 C ASP A 172 5.941 8.248 9.637 1.00 0.00 C ATOM 236 O ASP A 172 6.130 8.049 10.838 1.00 0.00 O ATOM 237 CB ASP A 172 7.417 10.259 9.835 1.00 0.00 C ATOM 238 CG ASP A 172 8.158 11.370 9.118 1.00 0.00 C ATOM 239 OD1 ASP A 172 8.657 11.125 7.999 1.00 0.00 O ATOM 240 OD2 ASP A 172 8.239 12.484 9.675 1.00 0.00 O ATOM 0 H ASP A 172 6.264 9.752 6.899 1.00 0.00 H new ATOM 0 HA ASP A 172 7.586 8.713 8.354 1.00 0.00 H new ATOM 0 HB2 ASP A 172 6.636 10.692 10.460 1.00 0.00 H new ATOM 0 HB3 ASP A 172 8.105 9.738 10.500 1.00 0.00 H new ATOM 245 N THR A 173 5.003 7.616 8.939 1.00 0.00 N ATOM 246 CA THR A 173 4.123 6.632 9.557 1.00 0.00 C ATOM 247 C THR A 173 4.110 5.331 8.764 1.00 0.00 C ATOM 248 O THR A 173 4.408 5.318 7.570 1.00 0.00 O ATOM 249 CB THR A 173 2.681 7.163 9.673 1.00 0.00 C ATOM 250 OG1 THR A 173 1.825 6.145 10.202 1.00 0.00 O ATOM 251 CG2 THR A 173 2.161 7.616 8.317 1.00 0.00 C ATOM 0 H THR A 173 4.833 7.768 7.945 1.00 0.00 H new ATOM 0 HA THR A 173 4.514 6.441 10.556 1.00 0.00 H new ATOM 0 HB THR A 173 2.686 8.019 10.347 1.00 0.00 H new ATOM 0 HG1 THR A 173 0.911 6.491 10.274 1.00 0.00 H new ATOM 0 HG21 THR A 173 1.142 7.987 8.424 1.00 0.00 H new ATOM 0 HG22 THR A 173 2.798 8.412 7.930 1.00 0.00 H new ATOM 0 HG23 THR A 173 2.170 6.775 7.624 1.00 0.00 H new ATOM 259 N GLU A 174 3.763 4.237 9.435 1.00 0.00 N ATOM 260 CA GLU A 174 3.713 2.930 8.792 1.00 0.00 C ATOM 261 C GLU A 174 2.383 2.236 9.072 1.00 0.00 C ATOM 262 O GLU A 174 1.770 2.448 10.118 1.00 0.00 O ATOM 263 CB GLU A 174 4.870 2.053 9.275 1.00 0.00 C ATOM 264 CG GLU A 174 6.212 2.429 8.671 1.00 0.00 C ATOM 265 CD GLU A 174 7.378 1.775 9.387 1.00 0.00 C ATOM 266 OE1 GLU A 174 7.785 2.290 10.450 1.00 0.00 O ATOM 267 OE2 GLU A 174 7.883 0.749 8.885 1.00 0.00 O ATOM 0 H GLU A 174 3.512 4.230 10.424 1.00 0.00 H new ATOM 0 HA GLU A 174 3.806 3.080 7.716 1.00 0.00 H new ATOM 0 HB2 GLU A 174 4.938 2.121 10.361 1.00 0.00 H new ATOM 0 HB3 GLU A 174 4.651 1.013 9.034 1.00 0.00 H new ATOM 0 HG2 GLU A 174 6.227 2.139 7.620 1.00 0.00 H new ATOM 0 HG3 GLU A 174 6.331 3.512 8.705 1.00 0.00 H new ATOM 274 N GLU A 175 1.943 1.408 8.130 1.00 0.00 N ATOM 275 CA GLU A 175 0.686 0.685 8.276 1.00 0.00 C ATOM 276 C GLU A 175 0.874 -0.800 7.977 1.00 0.00 C ATOM 277 O GLU A 175 1.482 -1.171 6.972 1.00 0.00 O ATOM 278 CB GLU A 175 -0.377 1.272 7.345 1.00 0.00 C ATOM 279 CG GLU A 175 -1.696 0.519 7.375 1.00 0.00 C ATOM 280 CD GLU A 175 -2.294 0.443 8.766 1.00 0.00 C ATOM 281 OE1 GLU A 175 -2.246 1.462 9.488 1.00 0.00 O ATOM 282 OE2 GLU A 175 -2.808 -0.633 9.134 1.00 0.00 O ATOM 0 H GLU A 175 2.438 1.221 7.258 1.00 0.00 H new ATOM 0 HA GLU A 175 0.354 0.791 9.309 1.00 0.00 H new ATOM 0 HB2 GLU A 175 -0.555 2.311 7.621 1.00 0.00 H new ATOM 0 HB3 GLU A 175 0.007 1.274 6.325 1.00 0.00 H new ATOM 0 HG2 GLU A 175 -2.404 1.008 6.706 1.00 0.00 H new ATOM 0 HG3 GLU A 175 -1.542 -0.491 6.994 1.00 0.00 H new ATOM 289 N LEU A 176 0.349 -1.646 8.857 1.00 0.00 N ATOM 290 CA LEU A 176 0.459 -3.091 8.690 1.00 0.00 C ATOM 291 C LEU A 176 -0.450 -3.579 7.567 1.00 0.00 C ATOM 292 O LEU A 176 -1.669 -3.426 7.630 1.00 0.00 O ATOM 293 CB LEU A 176 0.104 -3.804 9.996 1.00 0.00 C ATOM 294 CG LEU A 176 0.391 -5.305 10.040 1.00 0.00 C ATOM 295 CD1 LEU A 176 1.823 -5.588 9.613 1.00 0.00 C ATOM 296 CD2 LEU A 176 0.128 -5.857 11.433 1.00 0.00 C ATOM 0 H LEU A 176 -0.157 -1.356 9.694 1.00 0.00 H new ATOM 0 HA LEU A 176 1.490 -3.324 8.425 1.00 0.00 H new ATOM 0 HB2 LEU A 176 0.651 -3.326 10.808 1.00 0.00 H new ATOM 0 HB3 LEU A 176 -0.957 -3.651 10.193 1.00 0.00 H new ATOM 0 HG LEU A 176 -0.279 -5.804 9.341 1.00 0.00 H new ATOM 0 HD11 LEU A 176 2.009 -6.661 9.651 1.00 0.00 H new ATOM 0 HD12 LEU A 176 1.977 -5.229 8.596 1.00 0.00 H new ATOM 0 HD13 LEU A 176 2.511 -5.077 10.286 1.00 0.00 H new ATOM 0 HD21 LEU A 176 0.337 -6.927 11.446 1.00 0.00 H new ATOM 0 HD22 LEU A 176 0.773 -5.352 12.152 1.00 0.00 H new ATOM 0 HD23 LEU A 176 -0.915 -5.688 11.700 1.00 0.00 H new ATOM 308 N ALA A 177 0.152 -4.170 6.540 1.00 0.00 N ATOM 309 CA ALA A 177 -0.603 -4.685 5.405 1.00 0.00 C ATOM 310 C ALA A 177 0.009 -5.979 4.879 1.00 0.00 C ATOM 311 O ALA A 177 1.170 -6.007 4.470 1.00 0.00 O ATOM 312 CB ALA A 177 -0.670 -3.643 4.298 1.00 0.00 C ATOM 0 H ALA A 177 1.161 -4.304 6.471 1.00 0.00 H new ATOM 0 HA ALA A 177 -1.615 -4.904 5.744 1.00 0.00 H new ATOM 0 HB1 ALA A 177 -1.237 -4.042 3.457 1.00 0.00 H new ATOM 0 HB2 ALA A 177 -1.161 -2.745 4.673 1.00 0.00 H new ATOM 0 HB3 ALA A 177 0.340 -3.395 3.970 1.00 0.00 H new ATOM 318 N VAL A 178 -0.778 -7.050 4.895 1.00 0.00 N ATOM 319 CA VAL A 178 -0.313 -8.348 4.419 1.00 0.00 C ATOM 320 C VAL A 178 -0.558 -8.505 2.923 1.00 0.00 C ATOM 321 O VAL A 178 -1.693 -8.413 2.457 1.00 0.00 O ATOM 322 CB VAL A 178 -1.009 -9.501 5.166 1.00 0.00 C ATOM 323 CG1 VAL A 178 -2.508 -9.475 4.913 1.00 0.00 C ATOM 324 CG2 VAL A 178 -0.414 -10.839 4.753 1.00 0.00 C ATOM 0 H VAL A 178 -1.741 -7.045 5.232 1.00 0.00 H new ATOM 0 HA VAL A 178 0.758 -8.392 4.615 1.00 0.00 H new ATOM 0 HB VAL A 178 -0.843 -9.369 6.235 1.00 0.00 H new ATOM 0 HG11 VAL A 178 -2.982 -10.297 5.449 1.00 0.00 H new ATOM 0 HG12 VAL A 178 -2.920 -8.528 5.263 1.00 0.00 H new ATOM 0 HG13 VAL A 178 -2.699 -9.581 3.845 1.00 0.00 H new ATOM 0 HG21 VAL A 178 -0.918 -11.643 5.290 1.00 0.00 H new ATOM 0 HG22 VAL A 178 -0.547 -10.981 3.680 1.00 0.00 H new ATOM 0 HG23 VAL A 178 0.649 -10.854 4.992 1.00 0.00 H new ATOM 334 N ALA A 179 0.514 -8.744 2.175 1.00 0.00 N ATOM 335 CA ALA A 179 0.415 -8.917 0.731 1.00 0.00 C ATOM 336 C ALA A 179 1.016 -10.249 0.296 1.00 0.00 C ATOM 337 O ALA A 179 1.836 -10.833 1.005 1.00 0.00 O ATOM 338 CB ALA A 179 1.103 -7.765 0.014 1.00 0.00 C ATOM 0 H ALA A 179 1.461 -8.822 2.545 1.00 0.00 H new ATOM 0 HA ALA A 179 -0.641 -8.920 0.461 1.00 0.00 H new ATOM 0 HB1 ALA A 179 1.022 -7.907 -1.064 1.00 0.00 H new ATOM 0 HB2 ALA A 179 0.626 -6.826 0.294 1.00 0.00 H new ATOM 0 HB3 ALA A 179 2.155 -7.736 0.298 1.00 0.00 H new ATOM 344 N ARG A 180 0.603 -10.725 -0.875 1.00 0.00 N ATOM 345 CA ARG A 180 1.100 -11.989 -1.403 1.00 0.00 C ATOM 346 C ARG A 180 1.974 -11.759 -2.633 1.00 0.00 C ATOM 347 O ARG A 180 1.819 -10.778 -3.360 1.00 0.00 O ATOM 348 CB ARG A 180 -0.068 -12.911 -1.760 1.00 0.00 C ATOM 349 CG ARG A 180 -1.080 -13.074 -0.638 1.00 0.00 C ATOM 350 CD ARG A 180 -2.120 -14.131 -0.975 1.00 0.00 C ATOM 351 NE ARG A 180 -2.923 -13.759 -2.137 1.00 0.00 N ATOM 352 CZ ARG A 180 -4.007 -14.421 -2.525 1.00 0.00 C ATOM 353 NH1 ARG A 180 -4.416 -15.484 -1.846 1.00 0.00 N ATOM 354 NH2 ARG A 180 -4.684 -14.021 -3.593 1.00 0.00 N ATOM 0 H ARG A 180 -0.074 -10.254 -1.475 1.00 0.00 H new ATOM 0 HA ARG A 180 1.706 -12.463 -0.631 1.00 0.00 H new ATOM 0 HB2 ARG A 180 -0.575 -12.517 -2.641 1.00 0.00 H new ATOM 0 HB3 ARG A 180 0.324 -13.892 -2.030 1.00 0.00 H new ATOM 0 HG2 ARG A 180 -0.564 -13.350 0.282 1.00 0.00 H new ATOM 0 HG3 ARG A 180 -1.575 -12.121 -0.452 1.00 0.00 H new ATOM 0 HD2 ARG A 180 -1.622 -15.081 -1.168 1.00 0.00 H new ATOM 0 HD3 ARG A 180 -2.774 -14.283 -0.116 1.00 0.00 H new ATOM 0 HE ARG A 180 -2.635 -12.945 -2.681 1.00 0.00 H new ATOM 0 HH11 ARG A 180 -3.898 -15.795 -1.024 1.00 0.00 H new ATOM 0 HH12 ARG A 180 -5.249 -15.991 -2.146 1.00 0.00 H new ATOM 0 HH21 ARG A 180 -4.372 -13.204 -4.118 1.00 0.00 H new ATOM 0 HH22 ARG A 180 -5.516 -14.531 -3.890 1.00 0.00 H new ATOM 368 N PRO A 181 2.916 -12.683 -2.871 1.00 0.00 N ATOM 369 CA PRO A 181 3.834 -12.603 -4.012 1.00 0.00 C ATOM 370 C PRO A 181 3.127 -12.839 -5.342 1.00 0.00 C ATOM 371 O PRO A 181 3.758 -12.844 -6.398 1.00 0.00 O ATOM 372 CB PRO A 181 4.841 -13.722 -3.736 1.00 0.00 C ATOM 373 CG PRO A 181 4.103 -14.695 -2.884 1.00 0.00 C ATOM 374 CD PRO A 181 3.158 -13.879 -2.046 1.00 0.00 C ATOM 0 HA PRO A 181 4.287 -11.616 -4.102 1.00 0.00 H new ATOM 0 HB2 PRO A 181 5.181 -14.185 -4.662 1.00 0.00 H new ATOM 0 HB3 PRO A 181 5.726 -13.341 -3.226 1.00 0.00 H new ATOM 0 HG2 PRO A 181 3.560 -15.415 -3.495 1.00 0.00 H new ATOM 0 HG3 PRO A 181 4.790 -15.263 -2.256 1.00 0.00 H new ATOM 0 HD2 PRO A 181 2.234 -14.419 -1.841 1.00 0.00 H new ATOM 0 HD3 PRO A 181 3.597 -13.620 -1.082 1.00 0.00 H new ATOM 382 N GLU A 182 1.813 -13.033 -5.283 1.00 0.00 N ATOM 383 CA GLU A 182 1.021 -13.270 -6.484 1.00 0.00 C ATOM 384 C GLU A 182 0.063 -12.110 -6.742 1.00 0.00 C ATOM 385 O GLU A 182 -0.364 -11.884 -7.874 1.00 0.00 O ATOM 386 CB GLU A 182 0.235 -14.576 -6.355 1.00 0.00 C ATOM 387 CG GLU A 182 -0.592 -14.665 -5.083 1.00 0.00 C ATOM 388 CD GLU A 182 0.175 -15.286 -3.931 1.00 0.00 C ATOM 389 OE1 GLU A 182 1.401 -15.066 -3.847 1.00 0.00 O ATOM 390 OE2 GLU A 182 -0.452 -15.992 -3.114 1.00 0.00 O ATOM 0 H GLU A 182 1.275 -13.031 -4.416 1.00 0.00 H new ATOM 0 HA GLU A 182 1.705 -13.349 -7.329 1.00 0.00 H new ATOM 0 HB2 GLU A 182 -0.426 -14.679 -7.216 1.00 0.00 H new ATOM 0 HB3 GLU A 182 0.931 -15.414 -6.385 1.00 0.00 H new ATOM 0 HG2 GLU A 182 -0.922 -13.666 -4.798 1.00 0.00 H new ATOM 0 HG3 GLU A 182 -1.488 -15.254 -5.277 1.00 0.00 H new ATOM 397 N ASP A 183 -0.270 -11.380 -5.684 1.00 0.00 N ATOM 398 CA ASP A 183 -1.176 -10.243 -5.794 1.00 0.00 C ATOM 399 C ASP A 183 -0.607 -9.182 -6.731 1.00 0.00 C ATOM 400 O ASP A 183 0.485 -9.342 -7.278 1.00 0.00 O ATOM 401 CB ASP A 183 -1.437 -9.635 -4.415 1.00 0.00 C ATOM 402 CG ASP A 183 -2.465 -10.419 -3.622 1.00 0.00 C ATOM 403 OD1 ASP A 183 -3.327 -11.070 -4.248 1.00 0.00 O ATOM 404 OD2 ASP A 183 -2.406 -10.381 -2.375 1.00 0.00 O ATOM 0 H ASP A 183 0.074 -11.555 -4.740 1.00 0.00 H new ATOM 0 HA ASP A 183 -2.118 -10.601 -6.209 1.00 0.00 H new ATOM 0 HB2 ASP A 183 -0.503 -9.597 -3.855 1.00 0.00 H new ATOM 0 HB3 ASP A 183 -1.780 -8.607 -4.533 1.00 0.00 H new ATOM 409 N THR A 184 -1.354 -8.098 -6.914 1.00 0.00 N ATOM 410 CA THR A 184 -0.925 -7.012 -7.786 1.00 0.00 C ATOM 411 C THR A 184 -0.798 -5.704 -7.014 1.00 0.00 C ATOM 412 O THR A 184 -1.392 -5.540 -5.948 1.00 0.00 O ATOM 413 CB THR A 184 -1.907 -6.811 -8.956 1.00 0.00 C ATOM 414 OG1 THR A 184 -3.250 -6.744 -8.463 1.00 0.00 O ATOM 415 CG2 THR A 184 -1.787 -7.944 -9.964 1.00 0.00 C ATOM 0 H THR A 184 -2.260 -7.949 -6.469 1.00 0.00 H new ATOM 0 HA THR A 184 0.051 -7.292 -8.183 1.00 0.00 H new ATOM 0 HB THR A 184 -1.657 -5.875 -9.455 1.00 0.00 H new ATOM 0 HG1 THR A 184 -3.868 -6.614 -9.213 1.00 0.00 H new ATOM 0 HG21 THR A 184 -2.490 -7.780 -10.781 1.00 0.00 H new ATOM 0 HG22 THR A 184 -0.772 -7.973 -10.359 1.00 0.00 H new ATOM 0 HG23 THR A 184 -2.013 -8.892 -9.475 1.00 0.00 H new ATOM 423 N VAL A 185 -0.019 -4.774 -7.559 1.00 0.00 N ATOM 424 CA VAL A 185 0.185 -3.479 -6.921 1.00 0.00 C ATOM 425 C VAL A 185 -1.125 -2.706 -6.815 1.00 0.00 C ATOM 426 O VAL A 185 -1.423 -2.108 -5.782 1.00 0.00 O ATOM 427 CB VAL A 185 1.209 -2.628 -7.696 1.00 0.00 C ATOM 428 CG1 VAL A 185 1.329 -1.243 -7.077 1.00 0.00 C ATOM 429 CG2 VAL A 185 2.561 -3.324 -7.732 1.00 0.00 C ATOM 0 H VAL A 185 0.481 -4.894 -8.440 1.00 0.00 H new ATOM 0 HA VAL A 185 0.569 -3.676 -5.920 1.00 0.00 H new ATOM 0 HB VAL A 185 0.858 -2.512 -8.722 1.00 0.00 H new ATOM 0 HG11 VAL A 185 2.057 -0.656 -7.637 1.00 0.00 H new ATOM 0 HG12 VAL A 185 0.360 -0.745 -7.108 1.00 0.00 H new ATOM 0 HG13 VAL A 185 1.657 -1.334 -6.041 1.00 0.00 H new ATOM 0 HG21 VAL A 185 3.272 -2.709 -8.283 1.00 0.00 H new ATOM 0 HG22 VAL A 185 2.922 -3.471 -6.714 1.00 0.00 H new ATOM 0 HG23 VAL A 185 2.459 -4.291 -8.225 1.00 0.00 H new ATOM 439 N GLY A 186 -1.906 -2.725 -7.891 1.00 0.00 N ATOM 440 CA GLY A 186 -3.176 -2.023 -7.898 1.00 0.00 C ATOM 441 C GLY A 186 -4.144 -2.565 -6.866 1.00 0.00 C ATOM 442 O GLY A 186 -4.875 -1.805 -6.229 1.00 0.00 O ATOM 0 H GLY A 186 -1.682 -3.214 -8.758 1.00 0.00 H new ATOM 0 HA2 GLY A 186 -3.003 -0.964 -7.708 1.00 0.00 H new ATOM 0 HA3 GLY A 186 -3.625 -2.100 -8.888 1.00 0.00 H new ATOM 446 N THR A 187 -4.152 -3.884 -6.699 1.00 0.00 N ATOM 447 CA THR A 187 -5.040 -4.528 -5.739 1.00 0.00 C ATOM 448 C THR A 187 -4.620 -4.216 -4.307 1.00 0.00 C ATOM 449 O THR A 187 -5.457 -4.135 -3.407 1.00 0.00 O ATOM 450 CB THR A 187 -5.065 -6.055 -5.934 1.00 0.00 C ATOM 451 OG1 THR A 187 -5.871 -6.391 -7.068 1.00 0.00 O ATOM 452 CG2 THR A 187 -5.609 -6.750 -4.695 1.00 0.00 C ATOM 0 H THR A 187 -3.553 -4.527 -7.217 1.00 0.00 H new ATOM 0 HA THR A 187 -6.039 -4.131 -5.916 1.00 0.00 H new ATOM 0 HB THR A 187 -4.043 -6.394 -6.102 1.00 0.00 H new ATOM 0 HG1 THR A 187 -5.292 -6.597 -7.831 1.00 0.00 H new ATOM 0 HG21 THR A 187 -5.617 -7.828 -4.856 1.00 0.00 H new ATOM 0 HG22 THR A 187 -4.976 -6.516 -3.839 1.00 0.00 H new ATOM 0 HG23 THR A 187 -6.624 -6.405 -4.500 1.00 0.00 H new ATOM 460 N LEU A 188 -3.319 -4.042 -4.102 1.00 0.00 N ATOM 461 CA LEU A 188 -2.787 -3.738 -2.778 1.00 0.00 C ATOM 462 C LEU A 188 -3.239 -2.357 -2.313 1.00 0.00 C ATOM 463 O LEU A 188 -3.694 -2.189 -1.182 1.00 0.00 O ATOM 464 CB LEU A 188 -1.259 -3.809 -2.792 1.00 0.00 C ATOM 465 CG LEU A 188 -0.583 -3.992 -1.433 1.00 0.00 C ATOM 466 CD1 LEU A 188 -0.958 -5.335 -0.826 1.00 0.00 C ATOM 467 CD2 LEU A 188 0.928 -3.869 -1.567 1.00 0.00 C ATOM 0 H LEU A 188 -2.613 -4.106 -4.835 1.00 0.00 H new ATOM 0 HA LEU A 188 -3.173 -4.480 -2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 188 -0.960 -4.634 -3.438 1.00 0.00 H new ATOM 0 HB3 LEU A 188 -0.877 -2.894 -3.245 1.00 0.00 H new ATOM 0 HG LEU A 188 -0.934 -3.204 -0.766 1.00 0.00 H new ATOM 0 HD11 LEU A 188 -0.467 -5.447 0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 188 -2.039 -5.385 -0.692 1.00 0.00 H new ATOM 0 HD13 LEU A 188 -0.637 -6.137 -1.491 1.00 0.00 H new ATOM 0 HD21 LEU A 188 1.392 -4.002 -0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 188 1.296 -4.634 -2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 188 1.180 -2.883 -1.957 1.00 0.00 H new ATOM 479 N LYS A 189 -3.113 -1.371 -3.195 1.00 0.00 N ATOM 480 CA LYS A 189 -3.512 -0.005 -2.878 1.00 0.00 C ATOM 481 C LYS A 189 -5.029 0.109 -2.774 1.00 0.00 C ATOM 482 O LYS A 189 -5.550 0.821 -1.916 1.00 0.00 O ATOM 483 CB LYS A 189 -2.988 0.961 -3.943 1.00 0.00 C ATOM 484 CG LYS A 189 -1.526 0.747 -4.292 1.00 0.00 C ATOM 485 CD LYS A 189 -1.238 1.116 -5.738 1.00 0.00 C ATOM 486 CE LYS A 189 -1.282 2.622 -5.949 1.00 0.00 C ATOM 487 NZ LYS A 189 0.051 3.251 -5.741 1.00 0.00 N ATOM 0 H LYS A 189 -2.737 -1.493 -4.135 1.00 0.00 H new ATOM 0 HA LYS A 189 -3.079 0.259 -1.913 1.00 0.00 H new ATOM 0 HB2 LYS A 189 -3.588 0.853 -4.846 1.00 0.00 H new ATOM 0 HB3 LYS A 189 -3.123 1.984 -3.592 1.00 0.00 H new ATOM 0 HG2 LYS A 189 -0.901 1.348 -3.631 1.00 0.00 H new ATOM 0 HG3 LYS A 189 -1.259 -0.296 -4.122 1.00 0.00 H new ATOM 0 HD2 LYS A 189 -0.257 0.736 -6.023 1.00 0.00 H new ATOM 0 HD3 LYS A 189 -1.967 0.635 -6.390 1.00 0.00 H new ATOM 0 HE2 LYS A 189 -1.631 2.837 -6.959 1.00 0.00 H new ATOM 0 HE3 LYS A 189 -2.003 3.064 -5.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 189 0.025 3.845 -4.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 189 0.771 2.509 -5.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 189 0.290 3.839 -6.565 1.00 0.00 H new ATOM 501 N SER A 190 -5.732 -0.598 -3.653 1.00 0.00 N ATOM 502 CA SER A 190 -7.190 -0.574 -3.662 1.00 0.00 C ATOM 503 C SER A 190 -7.753 -1.339 -2.468 1.00 0.00 C ATOM 504 O SER A 190 -8.832 -1.024 -1.966 1.00 0.00 O ATOM 505 CB SER A 190 -7.724 -1.175 -4.964 1.00 0.00 C ATOM 506 OG SER A 190 -9.140 -1.144 -4.997 1.00 0.00 O ATOM 0 H SER A 190 -5.316 -1.194 -4.368 1.00 0.00 H new ATOM 0 HA SER A 190 -7.512 0.465 -3.591 1.00 0.00 H new ATOM 0 HB2 SER A 190 -7.325 -0.621 -5.814 1.00 0.00 H new ATOM 0 HB3 SER A 190 -7.377 -2.204 -5.062 1.00 0.00 H new ATOM 0 HG SER A 190 -9.447 -0.213 -4.989 1.00 0.00 H new ATOM 512 N LYS A 191 -7.014 -2.347 -2.018 1.00 0.00 N ATOM 513 CA LYS A 191 -7.437 -3.159 -0.882 1.00 0.00 C ATOM 514 C LYS A 191 -7.347 -2.364 0.417 1.00 0.00 C ATOM 515 O LYS A 191 -8.279 -2.365 1.222 1.00 0.00 O ATOM 516 CB LYS A 191 -6.576 -4.420 -0.781 1.00 0.00 C ATOM 517 CG LYS A 191 -6.936 -5.310 0.396 1.00 0.00 C ATOM 518 CD LYS A 191 -6.186 -4.902 1.653 1.00 0.00 C ATOM 519 CE LYS A 191 -7.008 -5.171 2.904 1.00 0.00 C ATOM 520 NZ LYS A 191 -7.062 -6.622 3.231 1.00 0.00 N ATOM 0 H LYS A 191 -6.119 -2.622 -2.422 1.00 0.00 H new ATOM 0 HA LYS A 191 -8.476 -3.448 -1.040 1.00 0.00 H new ATOM 0 HB2 LYS A 191 -6.676 -4.993 -1.703 1.00 0.00 H new ATOM 0 HB3 LYS A 191 -5.529 -4.129 -0.699 1.00 0.00 H new ATOM 0 HG2 LYS A 191 -8.009 -5.257 0.578 1.00 0.00 H new ATOM 0 HG3 LYS A 191 -6.704 -6.347 0.153 1.00 0.00 H new ATOM 0 HD2 LYS A 191 -5.245 -5.449 1.710 1.00 0.00 H new ATOM 0 HD3 LYS A 191 -5.936 -3.842 1.601 1.00 0.00 H new ATOM 0 HE2 LYS A 191 -6.579 -4.625 3.744 1.00 0.00 H new ATOM 0 HE3 LYS A 191 -8.020 -4.793 2.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 191 -7.631 -6.763 4.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 191 -7.494 -7.140 2.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 191 -6.098 -6.978 3.392 1.00 0.00 H new ATOM 534 N TYR A 192 -6.221 -1.687 0.615 1.00 0.00 N ATOM 535 CA TYR A 192 -6.010 -0.890 1.817 1.00 0.00 C ATOM 536 C TYR A 192 -6.390 0.568 1.577 1.00 0.00 C ATOM 537 O TYR A 192 -6.661 1.315 2.518 1.00 0.00 O ATOM 538 CB TYR A 192 -4.550 -0.981 2.265 1.00 0.00 C ATOM 539 CG TYR A 192 -4.082 -2.395 2.520 1.00 0.00 C ATOM 540 CD1 TYR A 192 -4.584 -3.132 3.586 1.00 0.00 C ATOM 541 CD2 TYR A 192 -3.138 -2.995 1.696 1.00 0.00 C ATOM 542 CE1 TYR A 192 -4.158 -4.425 3.823 1.00 0.00 C ATOM 543 CE2 TYR A 192 -2.708 -4.288 1.924 1.00 0.00 C ATOM 544 CZ TYR A 192 -3.221 -4.999 2.989 1.00 0.00 C ATOM 545 OH TYR A 192 -2.794 -6.286 3.222 1.00 0.00 O ATOM 0 H TYR A 192 -5.441 -1.675 -0.042 1.00 0.00 H new ATOM 0 HA TYR A 192 -6.650 -1.289 2.604 1.00 0.00 H new ATOM 0 HB2 TYR A 192 -3.916 -0.529 1.502 1.00 0.00 H new ATOM 0 HB3 TYR A 192 -4.421 -0.395 3.175 1.00 0.00 H new ATOM 0 HD1 TYR A 192 -5.319 -2.687 4.240 1.00 0.00 H new ATOM 0 HD2 TYR A 192 -2.733 -2.441 0.862 1.00 0.00 H new ATOM 0 HE1 TYR A 192 -4.557 -4.983 4.657 1.00 0.00 H new ATOM 0 HE2 TYR A 192 -1.975 -4.739 1.272 1.00 0.00 H new ATOM 0 HH TYR A 192 -2.412 -6.658 2.400 1.00 0.00 H new ATOM 555 N PHE A 193 -6.409 0.967 0.309 1.00 0.00 N ATOM 556 CA PHE A 193 -6.756 2.335 -0.056 1.00 0.00 C ATOM 557 C PHE A 193 -7.725 2.354 -1.235 1.00 0.00 C ATOM 558 O PHE A 193 -7.358 2.668 -2.368 1.00 0.00 O ATOM 559 CB PHE A 193 -5.494 3.127 -0.406 1.00 0.00 C ATOM 560 CG PHE A 193 -4.320 2.803 0.472 1.00 0.00 C ATOM 561 CD1 PHE A 193 -4.421 2.898 1.851 1.00 0.00 C ATOM 562 CD2 PHE A 193 -3.114 2.402 -0.081 1.00 0.00 C ATOM 563 CE1 PHE A 193 -3.343 2.600 2.662 1.00 0.00 C ATOM 564 CE2 PHE A 193 -2.032 2.102 0.725 1.00 0.00 C ATOM 565 CZ PHE A 193 -2.146 2.202 2.098 1.00 0.00 C ATOM 0 H PHE A 193 -6.188 0.362 -0.482 1.00 0.00 H new ATOM 0 HA PHE A 193 -7.244 2.801 0.800 1.00 0.00 H new ATOM 0 HB2 PHE A 193 -5.227 2.929 -1.444 1.00 0.00 H new ATOM 0 HB3 PHE A 193 -5.711 4.193 -0.330 1.00 0.00 H new ATOM 0 HD1 PHE A 193 -5.354 3.209 2.297 1.00 0.00 H new ATOM 0 HD2 PHE A 193 -3.019 2.323 -1.154 1.00 0.00 H new ATOM 0 HE1 PHE A 193 -3.436 2.678 3.735 1.00 0.00 H new ATOM 0 HE2 PHE A 193 -1.098 1.790 0.282 1.00 0.00 H new ATOM 0 HZ PHE A 193 -1.301 1.970 2.729 1.00 0.00 H new ATOM 575 N PRO A 194 -8.992 2.010 -0.964 1.00 0.00 N ATOM 576 CA PRO A 194 -10.041 1.979 -1.988 1.00 0.00 C ATOM 577 C PRO A 194 -10.420 3.375 -2.471 1.00 0.00 C ATOM 578 O PRO A 194 -10.775 4.243 -1.674 1.00 0.00 O ATOM 579 CB PRO A 194 -11.221 1.323 -1.267 1.00 0.00 C ATOM 580 CG PRO A 194 -10.992 1.611 0.176 1.00 0.00 C ATOM 581 CD PRO A 194 -9.500 1.624 0.364 1.00 0.00 C ATOM 0 HA PRO A 194 -9.722 1.446 -2.883 1.00 0.00 H new ATOM 0 HB2 PRO A 194 -12.171 1.735 -1.607 1.00 0.00 H new ATOM 0 HB3 PRO A 194 -11.253 0.250 -1.456 1.00 0.00 H new ATOM 0 HG2 PRO A 194 -11.429 2.569 0.457 1.00 0.00 H new ATOM 0 HG3 PRO A 194 -11.458 0.852 0.804 1.00 0.00 H new ATOM 0 HD2 PRO A 194 -9.198 2.336 1.132 1.00 0.00 H new ATOM 0 HD3 PRO A 194 -9.125 0.647 0.669 1.00 0.00 H new ATOM 589 N GLY A 195 -10.344 3.583 -3.782 1.00 0.00 N ATOM 590 CA GLY A 195 -10.684 4.876 -4.348 1.00 0.00 C ATOM 591 C GLY A 195 -9.576 5.895 -4.170 1.00 0.00 C ATOM 592 O GLY A 195 -9.503 6.877 -4.909 1.00 0.00 O ATOM 0 H GLY A 195 -10.053 2.880 -4.462 1.00 0.00 H new ATOM 0 HA2 GLY A 195 -10.899 4.759 -5.410 1.00 0.00 H new ATOM 0 HA3 GLY A 195 -11.594 5.247 -3.877 1.00 0.00 H new ATOM 596 N GLN A 196 -8.713 5.664 -3.186 1.00 0.00 N ATOM 597 CA GLN A 196 -7.606 6.572 -2.912 1.00 0.00 C ATOM 598 C GLN A 196 -6.393 6.226 -3.769 1.00 0.00 C ATOM 599 O GLN A 196 -5.469 7.027 -3.905 1.00 0.00 O ATOM 600 CB GLN A 196 -7.230 6.519 -1.430 1.00 0.00 C ATOM 601 CG GLN A 196 -8.380 6.863 -0.497 1.00 0.00 C ATOM 602 CD GLN A 196 -7.918 7.141 0.920 1.00 0.00 C ATOM 603 OE1 GLN A 196 -8.144 8.226 1.457 1.00 0.00 O ATOM 604 NE2 GLN A 196 -7.268 6.160 1.534 1.00 0.00 N ATOM 0 H GLN A 196 -8.759 4.856 -2.565 1.00 0.00 H new ATOM 0 HA GLN A 196 -7.928 7.583 -3.162 1.00 0.00 H new ATOM 0 HB2 GLN A 196 -6.866 5.519 -1.192 1.00 0.00 H new ATOM 0 HB3 GLN A 196 -6.407 7.210 -1.248 1.00 0.00 H new ATOM 0 HG2 GLN A 196 -8.906 7.737 -0.882 1.00 0.00 H new ATOM 0 HG3 GLN A 196 -9.094 6.040 -0.487 1.00 0.00 H new ATOM 0 HE21 GLN A 196 -7.103 5.277 1.051 1.00 0.00 H new ATOM 0 HE22 GLN A 196 -6.934 6.289 2.489 1.00 0.00 H new ATOM 613 N GLU A 197 -6.405 5.028 -4.346 1.00 0.00 N ATOM 614 CA GLU A 197 -5.304 4.577 -5.189 1.00 0.00 C ATOM 615 C GLU A 197 -4.834 5.696 -6.115 1.00 0.00 C ATOM 616 O GLU A 197 -3.694 5.695 -6.578 1.00 0.00 O ATOM 617 CB GLU A 197 -5.730 3.362 -6.015 1.00 0.00 C ATOM 618 CG GLU A 197 -6.512 2.329 -5.220 1.00 0.00 C ATOM 619 CD GLU A 197 -8.007 2.582 -5.247 1.00 0.00 C ATOM 620 OE1 GLU A 197 -8.411 3.719 -5.566 1.00 0.00 O ATOM 621 OE2 GLU A 197 -8.772 1.642 -4.948 1.00 0.00 O ATOM 0 H GLU A 197 -7.164 4.354 -4.245 1.00 0.00 H new ATOM 0 HA GLU A 197 -4.475 4.294 -4.540 1.00 0.00 H new ATOM 0 HB2 GLU A 197 -6.338 3.699 -6.854 1.00 0.00 H new ATOM 0 HB3 GLU A 197 -4.842 2.889 -6.435 1.00 0.00 H new ATOM 0 HG2 GLU A 197 -6.308 1.336 -5.621 1.00 0.00 H new ATOM 0 HG3 GLU A 197 -6.165 2.332 -4.187 1.00 0.00 H new ATOM 628 N SER A 198 -5.723 6.648 -6.382 1.00 0.00 N ATOM 629 CA SER A 198 -5.402 7.770 -7.256 1.00 0.00 C ATOM 630 C SER A 198 -4.218 8.562 -6.709 1.00 0.00 C ATOM 631 O SER A 198 -3.241 8.805 -7.417 1.00 0.00 O ATOM 632 CB SER A 198 -6.617 8.687 -7.410 1.00 0.00 C ATOM 633 OG SER A 198 -7.052 9.173 -6.152 1.00 0.00 O ATOM 0 H SER A 198 -6.671 6.664 -6.006 1.00 0.00 H new ATOM 0 HA SER A 198 -5.130 7.372 -8.234 1.00 0.00 H new ATOM 0 HB2 SER A 198 -6.364 9.525 -8.059 1.00 0.00 H new ATOM 0 HB3 SER A 198 -7.428 8.143 -7.893 1.00 0.00 H new ATOM 0 HG SER A 198 -7.828 9.758 -6.278 1.00 0.00 H new ATOM 639 N GLN A 199 -4.315 8.963 -5.446 1.00 0.00 N ATOM 640 CA GLN A 199 -3.253 9.729 -4.804 1.00 0.00 C ATOM 641 C GLN A 199 -2.229 8.803 -4.156 1.00 0.00 C ATOM 642 O GLN A 199 -1.032 9.087 -4.158 1.00 0.00 O ATOM 643 CB GLN A 199 -3.840 10.674 -3.755 1.00 0.00 C ATOM 644 CG GLN A 199 -4.712 11.771 -4.344 1.00 0.00 C ATOM 645 CD GLN A 199 -5.478 12.540 -3.285 1.00 0.00 C ATOM 646 OE1 GLN A 199 -5.462 12.180 -2.107 1.00 0.00 O ATOM 647 NE2 GLN A 199 -6.153 13.605 -3.699 1.00 0.00 N ATOM 0 H GLN A 199 -5.118 8.770 -4.847 1.00 0.00 H new ATOM 0 HA GLN A 199 -2.749 10.317 -5.571 1.00 0.00 H new ATOM 0 HB2 GLN A 199 -4.430 10.094 -3.045 1.00 0.00 H new ATOM 0 HB3 GLN A 199 -3.025 11.131 -3.194 1.00 0.00 H new ATOM 0 HG2 GLN A 199 -4.087 12.463 -4.909 1.00 0.00 H new ATOM 0 HG3 GLN A 199 -5.417 11.330 -5.049 1.00 0.00 H new ATOM 0 HE21 GLN A 199 -6.138 13.867 -4.685 1.00 0.00 H new ATOM 0 HE22 GLN A 199 -6.687 14.162 -3.031 1.00 0.00 H new ATOM 656 N MET A 200 -2.709 7.695 -3.601 1.00 0.00 N ATOM 657 CA MET A 200 -1.835 6.726 -2.949 1.00 0.00 C ATOM 658 C MET A 200 -0.841 6.136 -3.944 1.00 0.00 C ATOM 659 O MET A 200 -1.177 5.237 -4.715 1.00 0.00 O ATOM 660 CB MET A 200 -2.662 5.608 -2.312 1.00 0.00 C ATOM 661 CG MET A 200 -3.266 5.988 -0.970 1.00 0.00 C ATOM 662 SD MET A 200 -3.886 7.681 -0.943 1.00 0.00 S ATOM 663 CE MET A 200 -2.499 8.538 -0.200 1.00 0.00 C ATOM 0 H MET A 200 -3.698 7.446 -3.590 1.00 0.00 H new ATOM 0 HA MET A 200 -1.277 7.244 -2.169 1.00 0.00 H new ATOM 0 HB2 MET A 200 -3.463 5.326 -2.995 1.00 0.00 H new ATOM 0 HB3 MET A 200 -2.030 4.729 -2.181 1.00 0.00 H new ATOM 0 HG2 MET A 200 -4.081 5.303 -0.735 1.00 0.00 H new ATOM 0 HG3 MET A 200 -2.514 5.868 -0.190 1.00 0.00 H new ATOM 0 HE1 MET A 200 -2.811 8.986 0.743 1.00 0.00 H new ATOM 0 HE2 MET A 200 -1.691 7.830 -0.015 1.00 0.00 H new ATOM 0 HE3 MET A 200 -2.150 9.319 -0.875 1.00 0.00 H new ATOM 673 N LYS A 201 0.386 6.647 -3.922 1.00 0.00 N ATOM 674 CA LYS A 201 1.430 6.170 -4.821 1.00 0.00 C ATOM 675 C LYS A 201 2.471 5.353 -4.062 1.00 0.00 C ATOM 676 O LYS A 201 3.097 5.846 -3.122 1.00 0.00 O ATOM 677 CB LYS A 201 2.105 7.350 -5.524 1.00 0.00 C ATOM 678 CG LYS A 201 1.446 7.735 -6.837 1.00 0.00 C ATOM 679 CD LYS A 201 2.257 8.780 -7.583 1.00 0.00 C ATOM 680 CE LYS A 201 1.414 9.503 -8.622 1.00 0.00 C ATOM 681 NZ LYS A 201 1.879 10.901 -8.839 1.00 0.00 N ATOM 0 H LYS A 201 0.681 7.392 -3.291 1.00 0.00 H new ATOM 0 HA LYS A 201 0.965 5.528 -5.569 1.00 0.00 H new ATOM 0 HB2 LYS A 201 2.097 8.212 -4.857 1.00 0.00 H new ATOM 0 HB3 LYS A 201 3.150 7.101 -5.711 1.00 0.00 H new ATOM 0 HG2 LYS A 201 1.331 6.849 -7.461 1.00 0.00 H new ATOM 0 HG3 LYS A 201 0.445 8.120 -6.643 1.00 0.00 H new ATOM 0 HD2 LYS A 201 2.661 9.503 -6.874 1.00 0.00 H new ATOM 0 HD3 LYS A 201 3.107 8.302 -8.071 1.00 0.00 H new ATOM 0 HE2 LYS A 201 1.453 8.957 -9.565 1.00 0.00 H new ATOM 0 HE3 LYS A 201 0.372 9.512 -8.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 201 1.279 11.359 -9.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 201 1.818 11.430 -7.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 201 2.865 10.892 -9.169 1.00 0.00 H new ATOM 695 N LEU A 202 2.652 4.104 -4.475 1.00 0.00 N ATOM 696 CA LEU A 202 3.619 3.219 -3.834 1.00 0.00 C ATOM 697 C LEU A 202 4.960 3.260 -4.561 1.00 0.00 C ATOM 698 O LEU A 202 5.010 3.243 -5.792 1.00 0.00 O ATOM 699 CB LEU A 202 3.086 1.786 -3.803 1.00 0.00 C ATOM 700 CG LEU A 202 1.656 1.613 -3.291 1.00 0.00 C ATOM 701 CD1 LEU A 202 1.305 0.137 -3.177 1.00 0.00 C ATOM 702 CD2 LEU A 202 1.482 2.309 -1.949 1.00 0.00 C ATOM 0 H LEU A 202 2.142 3.681 -5.251 1.00 0.00 H new ATOM 0 HA LEU A 202 3.770 3.566 -2.812 1.00 0.00 H new ATOM 0 HB2 LEU A 202 3.141 1.377 -4.812 1.00 0.00 H new ATOM 0 HB3 LEU A 202 3.749 1.186 -3.179 1.00 0.00 H new ATOM 0 HG LEU A 202 0.976 2.073 -4.008 1.00 0.00 H new ATOM 0 HD11 LEU A 202 0.284 0.033 -2.811 1.00 0.00 H new ATOM 0 HD12 LEU A 202 1.389 -0.334 -4.157 1.00 0.00 H new ATOM 0 HD13 LEU A 202 1.990 -0.347 -2.482 1.00 0.00 H new ATOM 0 HD21 LEU A 202 0.458 2.175 -1.600 1.00 0.00 H new ATOM 0 HD22 LEU A 202 2.172 1.878 -1.223 1.00 0.00 H new ATOM 0 HD23 LEU A 202 1.691 3.373 -2.061 1.00 0.00 H new ATOM 714 N ILE A 203 6.042 3.312 -3.793 1.00 0.00 N ATOM 715 CA ILE A 203 7.383 3.351 -4.364 1.00 0.00 C ATOM 716 C ILE A 203 8.280 2.291 -3.734 1.00 0.00 C ATOM 717 O ILE A 203 8.468 2.266 -2.517 1.00 0.00 O ATOM 718 CB ILE A 203 8.033 4.734 -4.179 1.00 0.00 C ATOM 719 CG1 ILE A 203 7.197 5.812 -4.871 1.00 0.00 C ATOM 720 CG2 ILE A 203 9.454 4.729 -4.722 1.00 0.00 C ATOM 721 CD1 ILE A 203 7.349 7.185 -4.253 1.00 0.00 C ATOM 0 H ILE A 203 6.017 3.328 -2.773 1.00 0.00 H new ATOM 0 HA ILE A 203 7.278 3.148 -5.430 1.00 0.00 H new ATOM 0 HB ILE A 203 8.073 4.960 -3.113 1.00 0.00 H new ATOM 0 HG12 ILE A 203 7.482 5.862 -5.922 1.00 0.00 H new ATOM 0 HG13 ILE A 203 6.147 5.522 -4.839 1.00 0.00 H new ATOM 0 HG21 ILE A 203 9.900 5.714 -4.584 1.00 0.00 H new ATOM 0 HG22 ILE A 203 10.045 3.985 -4.188 1.00 0.00 H new ATOM 0 HG23 ILE A 203 9.437 4.484 -5.784 1.00 0.00 H new ATOM 0 HD11 ILE A 203 6.728 7.899 -4.795 1.00 0.00 H new ATOM 0 HD12 ILE A 203 7.037 7.151 -3.209 1.00 0.00 H new ATOM 0 HD13 ILE A 203 8.392 7.496 -4.309 1.00 0.00 H new ATOM 733 N TYR A 204 8.833 1.419 -4.569 1.00 0.00 N ATOM 734 CA TYR A 204 9.711 0.356 -4.094 1.00 0.00 C ATOM 735 C TYR A 204 11.138 0.566 -4.591 1.00 0.00 C ATOM 736 O TYR A 204 11.388 0.601 -5.795 1.00 0.00 O ATOM 737 CB TYR A 204 9.193 -1.007 -4.557 1.00 0.00 C ATOM 738 CG TYR A 204 10.030 -2.169 -4.074 1.00 0.00 C ATOM 739 CD1 TYR A 204 9.810 -2.738 -2.826 1.00 0.00 C ATOM 740 CD2 TYR A 204 11.042 -2.698 -4.866 1.00 0.00 C ATOM 741 CE1 TYR A 204 10.573 -3.799 -2.380 1.00 0.00 C ATOM 742 CE2 TYR A 204 11.810 -3.760 -4.428 1.00 0.00 C ATOM 743 CZ TYR A 204 11.572 -4.307 -3.185 1.00 0.00 C ATOM 744 OH TYR A 204 12.334 -5.365 -2.745 1.00 0.00 O ATOM 0 H TYR A 204 8.689 1.427 -5.579 1.00 0.00 H new ATOM 0 HA TYR A 204 9.717 0.384 -3.004 1.00 0.00 H new ATOM 0 HB2 TYR A 204 8.170 -1.136 -4.205 1.00 0.00 H new ATOM 0 HB3 TYR A 204 9.159 -1.022 -5.646 1.00 0.00 H new ATOM 0 HD1 TYR A 204 9.028 -2.344 -2.193 1.00 0.00 H new ATOM 0 HD2 TYR A 204 11.231 -2.272 -5.840 1.00 0.00 H new ATOM 0 HE1 TYR A 204 10.389 -4.229 -1.406 1.00 0.00 H new ATOM 0 HE2 TYR A 204 12.593 -4.159 -5.056 1.00 0.00 H new ATOM 0 HH TYR A 204 11.750 -6.124 -2.536 1.00 0.00 H new ATOM 754 N GLN A 205 12.070 0.704 -3.653 1.00 0.00 N ATOM 755 CA GLN A 205 13.472 0.910 -3.995 1.00 0.00 C ATOM 756 C GLN A 205 13.638 2.119 -4.909 1.00 0.00 C ATOM 757 O GLN A 205 14.374 2.070 -5.893 1.00 0.00 O ATOM 758 CB GLN A 205 14.043 -0.338 -4.671 1.00 0.00 C ATOM 759 CG GLN A 205 13.902 -1.600 -3.836 1.00 0.00 C ATOM 760 CD GLN A 205 15.105 -1.848 -2.947 1.00 0.00 C ATOM 761 OE1 GLN A 205 15.076 -1.559 -1.750 1.00 0.00 O ATOM 762 NE2 GLN A 205 16.170 -2.387 -3.528 1.00 0.00 N ATOM 0 H GLN A 205 11.879 0.677 -2.651 1.00 0.00 H new ATOM 0 HA GLN A 205 14.021 1.098 -3.072 1.00 0.00 H new ATOM 0 HB2 GLN A 205 13.540 -0.486 -5.626 1.00 0.00 H new ATOM 0 HB3 GLN A 205 15.098 -0.172 -4.889 1.00 0.00 H new ATOM 0 HG2 GLN A 205 13.007 -1.524 -3.218 1.00 0.00 H new ATOM 0 HG3 GLN A 205 13.761 -2.455 -4.497 1.00 0.00 H new ATOM 0 HE21 GLN A 205 16.150 -2.610 -4.523 1.00 0.00 H new ATOM 0 HE22 GLN A 205 17.008 -2.578 -2.979 1.00 0.00 H new ATOM 771 N GLY A 206 12.947 3.206 -4.577 1.00 0.00 N ATOM 772 CA GLY A 206 13.031 4.412 -5.378 1.00 0.00 C ATOM 773 C GLY A 206 12.294 4.285 -6.697 1.00 0.00 C ATOM 774 O GLY A 206 12.308 5.205 -7.515 1.00 0.00 O ATOM 0 H GLY A 206 12.331 3.272 -3.767 1.00 0.00 H new ATOM 0 HA2 GLY A 206 12.618 5.248 -4.814 1.00 0.00 H new ATOM 0 HA3 GLY A 206 14.078 4.644 -5.571 1.00 0.00 H new ATOM 778 N ARG A 207 11.651 3.141 -6.905 1.00 0.00 N ATOM 779 CA ARG A 207 10.908 2.895 -8.136 1.00 0.00 C ATOM 780 C ARG A 207 9.409 3.066 -7.909 1.00 0.00 C ATOM 781 O ARG A 207 8.869 2.621 -6.895 1.00 0.00 O ATOM 782 CB ARG A 207 11.199 1.487 -8.659 1.00 0.00 C ATOM 783 CG ARG A 207 11.107 1.369 -10.172 1.00 0.00 C ATOM 784 CD ARG A 207 11.391 -0.050 -10.638 1.00 0.00 C ATOM 785 NE ARG A 207 12.809 -0.387 -10.535 1.00 0.00 N ATOM 786 CZ ARG A 207 13.717 -0.025 -11.434 1.00 0.00 C ATOM 787 NH1 ARG A 207 13.358 0.682 -12.497 1.00 0.00 N ATOM 788 NH2 ARG A 207 14.988 -0.369 -11.270 1.00 0.00 N ATOM 0 H ARG A 207 11.629 2.370 -6.238 1.00 0.00 H new ATOM 0 HA ARG A 207 11.231 3.625 -8.879 1.00 0.00 H new ATOM 0 HB2 ARG A 207 12.198 1.189 -8.340 1.00 0.00 H new ATOM 0 HB3 ARG A 207 10.497 0.787 -8.205 1.00 0.00 H new ATOM 0 HG2 ARG A 207 10.112 1.669 -10.502 1.00 0.00 H new ATOM 0 HG3 ARG A 207 11.817 2.054 -10.635 1.00 0.00 H new ATOM 0 HD2 ARG A 207 10.808 -0.751 -10.041 1.00 0.00 H new ATOM 0 HD3 ARG A 207 11.066 -0.164 -11.672 1.00 0.00 H new ATOM 0 HE ARG A 207 13.118 -0.930 -9.729 1.00 0.00 H new ATOM 0 HH11 ARG A 207 12.382 0.949 -12.626 1.00 0.00 H new ATOM 0 HH12 ARG A 207 14.058 0.959 -13.186 1.00 0.00 H new ATOM 0 HH21 ARG A 207 15.268 -0.912 -10.453 1.00 0.00 H new ATOM 0 HH22 ARG A 207 15.685 -0.091 -11.961 1.00 0.00 H new ATOM 802 N LEU A 208 8.742 3.712 -8.859 1.00 0.00 N ATOM 803 CA LEU A 208 7.305 3.942 -8.763 1.00 0.00 C ATOM 804 C LEU A 208 6.525 2.738 -9.282 1.00 0.00 C ATOM 805 O LEU A 208 6.664 2.348 -10.442 1.00 0.00 O ATOM 806 CB LEU A 208 6.915 5.194 -9.551 1.00 0.00 C ATOM 807 CG LEU A 208 5.460 5.645 -9.419 1.00 0.00 C ATOM 808 CD1 LEU A 208 5.128 5.959 -7.968 1.00 0.00 C ATOM 809 CD2 LEU A 208 5.194 6.854 -10.303 1.00 0.00 C ATOM 0 H LEU A 208 9.173 4.086 -9.704 1.00 0.00 H new ATOM 0 HA LEU A 208 7.055 4.089 -7.712 1.00 0.00 H new ATOM 0 HB2 LEU A 208 7.559 6.014 -9.233 1.00 0.00 H new ATOM 0 HB3 LEU A 208 7.124 5.015 -10.606 1.00 0.00 H new ATOM 0 HG LEU A 208 4.816 4.830 -9.749 1.00 0.00 H new ATOM 0 HD11 LEU A 208 4.088 6.278 -7.893 1.00 0.00 H new ATOM 0 HD12 LEU A 208 5.278 5.067 -7.359 1.00 0.00 H new ATOM 0 HD13 LEU A 208 5.779 6.757 -7.610 1.00 0.00 H new ATOM 0 HD21 LEU A 208 4.154 7.161 -10.196 1.00 0.00 H new ATOM 0 HD22 LEU A 208 5.847 7.674 -10.004 1.00 0.00 H new ATOM 0 HD23 LEU A 208 5.391 6.594 -11.343 1.00 0.00 H new ATOM 821 N LEU A 209 5.703 2.155 -8.417 1.00 0.00 N ATOM 822 CA LEU A 209 4.898 0.997 -8.788 1.00 0.00 C ATOM 823 C LEU A 209 3.710 1.412 -9.649 1.00 0.00 C ATOM 824 O LEU A 209 2.563 1.091 -9.338 1.00 0.00 O ATOM 825 CB LEU A 209 4.404 0.271 -7.534 1.00 0.00 C ATOM 826 CG LEU A 209 5.410 0.150 -6.389 1.00 0.00 C ATOM 827 CD1 LEU A 209 4.939 -0.877 -5.371 1.00 0.00 C ATOM 828 CD2 LEU A 209 6.786 -0.220 -6.925 1.00 0.00 C ATOM 0 H LEU A 209 5.576 2.465 -7.454 1.00 0.00 H new ATOM 0 HA LEU A 209 5.526 0.321 -9.369 1.00 0.00 H new ATOM 0 HB2 LEU A 209 3.521 0.790 -7.162 1.00 0.00 H new ATOM 0 HB3 LEU A 209 4.087 -0.732 -7.820 1.00 0.00 H new ATOM 0 HG LEU A 209 5.484 1.117 -5.892 1.00 0.00 H new ATOM 0 HD11 LEU A 209 5.668 -0.950 -4.564 1.00 0.00 H new ATOM 0 HD12 LEU A 209 3.975 -0.570 -4.964 1.00 0.00 H new ATOM 0 HD13 LEU A 209 4.836 -1.848 -5.855 1.00 0.00 H new ATOM 0 HD21 LEU A 209 7.489 -0.302 -6.096 1.00 0.00 H new ATOM 0 HD22 LEU A 209 6.728 -1.175 -7.448 1.00 0.00 H new ATOM 0 HD23 LEU A 209 7.127 0.551 -7.615 1.00 0.00 H new ATOM 840 N GLN A 210 3.993 2.126 -10.734 1.00 0.00 N ATOM 841 CA GLN A 210 2.948 2.584 -11.641 1.00 0.00 C ATOM 842 C GLN A 210 2.074 1.420 -12.097 1.00 0.00 C ATOM 843 O GLN A 210 0.929 1.285 -11.666 1.00 0.00 O ATOM 844 CB GLN A 210 3.565 3.280 -12.856 1.00 0.00 C ATOM 845 CG GLN A 210 4.024 4.701 -12.574 1.00 0.00 C ATOM 846 CD GLN A 210 4.045 5.565 -13.820 1.00 0.00 C ATOM 847 OE1 GLN A 210 3.170 5.456 -14.680 1.00 0.00 O ATOM 848 NE2 GLN A 210 5.046 6.431 -13.924 1.00 0.00 N ATOM 0 H GLN A 210 4.937 2.400 -11.006 1.00 0.00 H new ATOM 0 HA GLN A 210 2.322 3.296 -11.103 1.00 0.00 H new ATOM 0 HB2 GLN A 210 4.415 2.695 -13.207 1.00 0.00 H new ATOM 0 HB3 GLN A 210 2.834 3.297 -13.665 1.00 0.00 H new ATOM 0 HG2 GLN A 210 3.363 5.152 -11.834 1.00 0.00 H new ATOM 0 HG3 GLN A 210 5.022 4.676 -12.136 1.00 0.00 H new ATOM 0 HE21 GLN A 210 5.750 6.488 -13.188 1.00 0.00 H new ATOM 0 HE22 GLN A 210 5.111 7.039 -14.740 1.00 0.00 H new ATOM 857 N ASP A 211 2.622 0.582 -12.970 1.00 0.00 N ATOM 858 CA ASP A 211 1.893 -0.571 -13.484 1.00 0.00 C ATOM 859 C ASP A 211 1.199 -1.324 -12.353 1.00 0.00 C ATOM 860 O ASP A 211 1.828 -2.044 -11.577 1.00 0.00 O ATOM 861 CB ASP A 211 2.842 -1.510 -14.231 1.00 0.00 C ATOM 862 CG ASP A 211 2.104 -2.579 -15.012 1.00 0.00 C ATOM 863 OD1 ASP A 211 0.993 -2.292 -15.506 1.00 0.00 O ATOM 864 OD2 ASP A 211 2.637 -3.702 -15.130 1.00 0.00 O ATOM 0 H ASP A 211 3.569 0.680 -13.336 1.00 0.00 H new ATOM 0 HA ASP A 211 1.132 -0.209 -14.176 1.00 0.00 H new ATOM 0 HB2 ASP A 211 3.461 -0.928 -14.914 1.00 0.00 H new ATOM 0 HB3 ASP A 211 3.515 -1.985 -13.517 1.00 0.00 H new ATOM 869 N PRO A 212 -0.127 -1.154 -12.255 1.00 0.00 N ATOM 870 CA PRO A 212 -0.935 -1.808 -11.222 1.00 0.00 C ATOM 871 C PRO A 212 -1.045 -3.313 -11.439 1.00 0.00 C ATOM 872 O PRO A 212 -1.715 -4.012 -10.679 1.00 0.00 O ATOM 873 CB PRO A 212 -2.307 -1.145 -11.370 1.00 0.00 C ATOM 874 CG PRO A 212 -2.353 -0.683 -12.786 1.00 0.00 C ATOM 875 CD PRO A 212 -0.941 -0.310 -13.146 1.00 0.00 C ATOM 0 HA PRO A 212 -0.497 -1.695 -10.230 1.00 0.00 H new ATOM 0 HB2 PRO A 212 -3.112 -1.848 -11.157 1.00 0.00 H new ATOM 0 HB3 PRO A 212 -2.421 -0.311 -10.677 1.00 0.00 H new ATOM 0 HG2 PRO A 212 -2.728 -1.469 -13.441 1.00 0.00 H new ATOM 0 HG3 PRO A 212 -3.022 0.170 -12.897 1.00 0.00 H new ATOM 0 HD2 PRO A 212 -0.727 -0.511 -14.196 1.00 0.00 H new ATOM 0 HD3 PRO A 212 -0.751 0.750 -12.980 1.00 0.00 H new ATOM 883 N ALA A 213 -0.383 -3.807 -12.480 1.00 0.00 N ATOM 884 CA ALA A 213 -0.405 -5.230 -12.795 1.00 0.00 C ATOM 885 C ALA A 213 0.958 -5.867 -12.549 1.00 0.00 C ATOM 886 O ALA A 213 1.264 -6.928 -13.093 1.00 0.00 O ATOM 887 CB ALA A 213 -0.838 -5.444 -14.238 1.00 0.00 C ATOM 0 H ALA A 213 0.176 -3.242 -13.120 1.00 0.00 H new ATOM 0 HA ALA A 213 -1.126 -5.713 -12.136 1.00 0.00 H new ATOM 0 HB1 ALA A 213 -0.850 -6.511 -14.460 1.00 0.00 H new ATOM 0 HB2 ALA A 213 -1.837 -5.032 -14.383 1.00 0.00 H new ATOM 0 HB3 ALA A 213 -0.138 -4.942 -14.906 1.00 0.00 H new ATOM 893 N ARG A 214 1.773 -5.213 -11.728 1.00 0.00 N ATOM 894 CA ARG A 214 3.104 -5.716 -11.412 1.00 0.00 C ATOM 895 C ARG A 214 3.068 -6.617 -10.182 1.00 0.00 C ATOM 896 O ARG A 214 2.906 -6.144 -9.056 1.00 0.00 O ATOM 897 CB ARG A 214 4.069 -4.552 -11.177 1.00 0.00 C ATOM 898 CG ARG A 214 4.655 -3.979 -12.457 1.00 0.00 C ATOM 899 CD ARG A 214 5.965 -4.660 -12.824 1.00 0.00 C ATOM 900 NE ARG A 214 6.587 -4.052 -13.997 1.00 0.00 N ATOM 901 CZ ARG A 214 6.301 -4.403 -15.246 1.00 0.00 C ATOM 902 NH1 ARG A 214 5.406 -5.352 -15.482 1.00 0.00 N ATOM 903 NH2 ARG A 214 6.910 -3.804 -16.261 1.00 0.00 N ATOM 0 H ARG A 214 1.535 -4.334 -11.270 1.00 0.00 H new ATOM 0 HA ARG A 214 3.454 -6.304 -12.261 1.00 0.00 H new ATOM 0 HB2 ARG A 214 3.546 -3.760 -10.641 1.00 0.00 H new ATOM 0 HB3 ARG A 214 4.882 -4.889 -10.534 1.00 0.00 H new ATOM 0 HG2 ARG A 214 3.940 -4.099 -13.271 1.00 0.00 H new ATOM 0 HG3 ARG A 214 4.822 -2.909 -12.335 1.00 0.00 H new ATOM 0 HD2 ARG A 214 6.652 -4.604 -11.979 1.00 0.00 H new ATOM 0 HD3 ARG A 214 5.783 -5.717 -13.017 1.00 0.00 H new ATOM 0 HE ARG A 214 7.279 -3.317 -13.849 1.00 0.00 H new ATOM 0 HH11 ARG A 214 4.935 -5.814 -14.704 1.00 0.00 H new ATOM 0 HH12 ARG A 214 5.188 -5.620 -16.442 1.00 0.00 H new ATOM 0 HH21 ARG A 214 7.599 -3.073 -16.083 1.00 0.00 H new ATOM 0 HH22 ARG A 214 6.690 -4.074 -17.219 1.00 0.00 H new ATOM 917 N THR A 215 3.218 -7.919 -10.403 1.00 0.00 N ATOM 918 CA THR A 215 3.200 -8.887 -9.314 1.00 0.00 C ATOM 919 C THR A 215 4.187 -8.500 -8.218 1.00 0.00 C ATOM 920 O THR A 215 5.284 -8.016 -8.499 1.00 0.00 O ATOM 921 CB THR A 215 3.538 -10.304 -9.815 1.00 0.00 C ATOM 922 OG1 THR A 215 4.642 -10.251 -10.726 1.00 0.00 O ATOM 923 CG2 THR A 215 2.337 -10.935 -10.503 1.00 0.00 C ATOM 0 H THR A 215 3.353 -8.328 -11.328 1.00 0.00 H new ATOM 0 HA THR A 215 2.189 -8.885 -8.907 1.00 0.00 H new ATOM 0 HB THR A 215 3.807 -10.916 -8.954 1.00 0.00 H new ATOM 0 HG1 THR A 215 4.852 -11.156 -11.039 1.00 0.00 H new ATOM 0 HG21 THR A 215 2.599 -11.935 -10.848 1.00 0.00 H new ATOM 0 HG22 THR A 215 1.507 -11.000 -9.799 1.00 0.00 H new ATOM 0 HG23 THR A 215 2.043 -10.322 -11.355 1.00 0.00 H new ATOM 931 N LEU A 216 3.790 -8.715 -6.969 1.00 0.00 N ATOM 932 CA LEU A 216 4.641 -8.389 -5.829 1.00 0.00 C ATOM 933 C LEU A 216 5.930 -9.203 -5.861 1.00 0.00 C ATOM 934 O LEU A 216 6.980 -8.739 -5.418 1.00 0.00 O ATOM 935 CB LEU A 216 3.893 -8.646 -4.520 1.00 0.00 C ATOM 936 CG LEU A 216 2.415 -8.256 -4.503 1.00 0.00 C ATOM 937 CD1 LEU A 216 1.985 -7.853 -3.101 1.00 0.00 C ATOM 938 CD2 LEU A 216 2.150 -7.127 -5.489 1.00 0.00 C ATOM 0 H LEU A 216 2.885 -9.113 -6.719 1.00 0.00 H new ATOM 0 HA LEU A 216 4.900 -7.332 -5.890 1.00 0.00 H new ATOM 0 HB2 LEU A 216 3.971 -9.707 -4.283 1.00 0.00 H new ATOM 0 HB3 LEU A 216 4.400 -8.103 -3.722 1.00 0.00 H new ATOM 0 HG LEU A 216 1.827 -9.122 -4.806 1.00 0.00 H new ATOM 0 HD11 LEU A 216 0.930 -7.579 -3.109 1.00 0.00 H new ATOM 0 HD12 LEU A 216 2.137 -8.690 -2.419 1.00 0.00 H new ATOM 0 HD13 LEU A 216 2.579 -7.001 -2.769 1.00 0.00 H new ATOM 0 HD21 LEU A 216 1.093 -6.862 -5.464 1.00 0.00 H new ATOM 0 HD22 LEU A 216 2.748 -6.258 -5.216 1.00 0.00 H new ATOM 0 HD23 LEU A 216 2.419 -7.451 -6.494 1.00 0.00 H new ATOM 950 N SER A 217 5.842 -10.420 -6.390 1.00 0.00 N ATOM 951 CA SER A 217 7.001 -11.300 -6.478 1.00 0.00 C ATOM 952 C SER A 217 8.051 -10.723 -7.422 1.00 0.00 C ATOM 953 O SER A 217 9.246 -10.744 -7.128 1.00 0.00 O ATOM 954 CB SER A 217 6.577 -12.690 -6.957 1.00 0.00 C ATOM 955 OG SER A 217 5.797 -12.606 -8.137 1.00 0.00 O ATOM 0 H SER A 217 4.980 -10.818 -6.764 1.00 0.00 H new ATOM 0 HA SER A 217 7.439 -11.384 -5.483 1.00 0.00 H new ATOM 0 HB2 SER A 217 7.461 -13.299 -7.144 1.00 0.00 H new ATOM 0 HB3 SER A 217 6.006 -13.189 -6.174 1.00 0.00 H new ATOM 0 HG SER A 217 4.846 -12.647 -7.904 1.00 0.00 H new ATOM 961 N SER A 218 7.596 -10.206 -8.559 1.00 0.00 N ATOM 962 CA SER A 218 8.495 -9.626 -9.550 1.00 0.00 C ATOM 963 C SER A 218 9.136 -8.348 -9.019 1.00 0.00 C ATOM 964 O SER A 218 10.292 -8.048 -9.320 1.00 0.00 O ATOM 965 CB SER A 218 7.737 -9.330 -10.846 1.00 0.00 C ATOM 966 OG SER A 218 8.573 -8.681 -11.788 1.00 0.00 O ATOM 0 H SER A 218 6.610 -10.177 -8.817 1.00 0.00 H new ATOM 0 HA SER A 218 9.284 -10.349 -9.756 1.00 0.00 H new ATOM 0 HB2 SER A 218 7.359 -10.260 -11.270 1.00 0.00 H new ATOM 0 HB3 SER A 218 6.872 -8.703 -10.630 1.00 0.00 H new ATOM 0 HG SER A 218 8.066 -8.504 -12.608 1.00 0.00 H new ATOM 972 N LEU A 219 8.378 -7.598 -8.226 1.00 0.00 N ATOM 973 CA LEU A 219 8.871 -6.352 -7.651 1.00 0.00 C ATOM 974 C LEU A 219 9.826 -6.625 -6.494 1.00 0.00 C ATOM 975 O LEU A 219 10.279 -5.702 -5.819 1.00 0.00 O ATOM 976 CB LEU A 219 7.701 -5.491 -7.170 1.00 0.00 C ATOM 977 CG LEU A 219 6.741 -4.997 -8.253 1.00 0.00 C ATOM 978 CD1 LEU A 219 5.491 -4.400 -7.626 1.00 0.00 C ATOM 979 CD2 LEU A 219 7.428 -3.978 -9.150 1.00 0.00 C ATOM 0 H LEU A 219 7.420 -7.832 -7.967 1.00 0.00 H new ATOM 0 HA LEU A 219 9.416 -5.814 -8.427 1.00 0.00 H new ATOM 0 HB2 LEU A 219 7.130 -6.065 -6.440 1.00 0.00 H new ATOM 0 HB3 LEU A 219 8.105 -4.624 -6.648 1.00 0.00 H new ATOM 0 HG LEU A 219 6.445 -5.849 -8.865 1.00 0.00 H new ATOM 0 HD11 LEU A 219 4.820 -4.054 -8.412 1.00 0.00 H new ATOM 0 HD12 LEU A 219 4.987 -5.158 -7.026 1.00 0.00 H new ATOM 0 HD13 LEU A 219 5.769 -3.560 -6.990 1.00 0.00 H new ATOM 0 HD21 LEU A 219 6.730 -3.637 -9.915 1.00 0.00 H new ATOM 0 HD22 LEU A 219 7.754 -3.127 -8.551 1.00 0.00 H new ATOM 0 HD23 LEU A 219 8.293 -4.438 -9.627 1.00 0.00 H new ATOM 991 N ASN A 220 10.128 -7.900 -6.272 1.00 0.00 N ATOM 992 CA ASN A 220 11.031 -8.296 -5.197 1.00 0.00 C ATOM 993 C ASN A 220 10.451 -7.924 -3.836 1.00 0.00 C ATOM 994 O ASN A 220 11.181 -7.528 -2.926 1.00 0.00 O ATOM 995 CB ASN A 220 12.397 -7.633 -5.381 1.00 0.00 C ATOM 996 CG ASN A 220 13.098 -8.091 -6.645 1.00 0.00 C ATOM 997 OD1 ASN A 220 12.626 -8.995 -7.336 1.00 0.00 O ATOM 998 ND2 ASN A 220 14.230 -7.469 -6.954 1.00 0.00 N ATOM 0 H ASN A 220 9.761 -8.677 -6.822 1.00 0.00 H new ATOM 0 HA ASN A 220 11.152 -9.379 -5.237 1.00 0.00 H new ATOM 0 HB2 ASN A 220 12.271 -6.551 -5.411 1.00 0.00 H new ATOM 0 HB3 ASN A 220 13.025 -7.857 -4.519 1.00 0.00 H new ATOM 0 HD21 ASN A 220 14.745 -7.735 -7.793 1.00 0.00 H new ATOM 0 HD22 ASN A 220 14.584 -6.725 -6.352 1.00 0.00 H new ATOM 1005 N ILE A 221 9.136 -8.055 -3.703 1.00 0.00 N ATOM 1006 CA ILE A 221 8.459 -7.734 -2.453 1.00 0.00 C ATOM 1007 C ILE A 221 8.326 -8.969 -1.567 1.00 0.00 C ATOM 1008 O ILE A 221 7.393 -9.758 -1.719 1.00 0.00 O ATOM 1009 CB ILE A 221 7.059 -7.145 -2.705 1.00 0.00 C ATOM 1010 CG1 ILE A 221 7.172 -5.705 -3.212 1.00 0.00 C ATOM 1011 CG2 ILE A 221 6.223 -7.201 -1.435 1.00 0.00 C ATOM 1012 CD1 ILE A 221 5.871 -5.149 -3.748 1.00 0.00 C ATOM 0 H ILE A 221 8.518 -8.381 -4.446 1.00 0.00 H new ATOM 0 HA ILE A 221 9.072 -6.989 -1.946 1.00 0.00 H new ATOM 0 HB ILE A 221 6.562 -7.742 -3.469 1.00 0.00 H new ATOM 0 HG12 ILE A 221 7.522 -5.069 -2.399 1.00 0.00 H new ATOM 0 HG13 ILE A 221 7.927 -5.663 -3.997 1.00 0.00 H new ATOM 0 HG21 ILE A 221 5.236 -6.781 -1.630 1.00 0.00 H new ATOM 0 HG22 ILE A 221 6.119 -8.237 -1.113 1.00 0.00 H new ATOM 0 HG23 ILE A 221 6.714 -6.625 -0.651 1.00 0.00 H new ATOM 0 HD11 ILE A 221 6.026 -4.126 -4.089 1.00 0.00 H new ATOM 0 HD12 ILE A 221 5.530 -5.762 -4.582 1.00 0.00 H new ATOM 0 HD13 ILE A 221 5.119 -5.158 -2.959 1.00 0.00 H new ATOM 1024 N THR A 222 9.266 -9.130 -0.641 1.00 0.00 N ATOM 1025 CA THR A 222 9.254 -10.268 0.270 1.00 0.00 C ATOM 1026 C THR A 222 8.613 -9.899 1.603 1.00 0.00 C ATOM 1027 O THR A 222 8.104 -8.791 1.772 1.00 0.00 O ATOM 1028 CB THR A 222 10.677 -10.797 0.527 1.00 0.00 C ATOM 1029 OG1 THR A 222 11.471 -9.783 1.152 1.00 0.00 O ATOM 1030 CG2 THR A 222 11.335 -11.233 -0.774 1.00 0.00 C ATOM 0 H THR A 222 10.045 -8.487 -0.502 1.00 0.00 H new ATOM 0 HA THR A 222 8.665 -11.050 -0.209 1.00 0.00 H new ATOM 0 HB THR A 222 10.606 -11.661 1.188 1.00 0.00 H new ATOM 0 HG1 THR A 222 11.012 -8.920 1.083 1.00 0.00 H new ATOM 0 HG21 THR A 222 12.339 -11.603 -0.568 1.00 0.00 H new ATOM 0 HG22 THR A 222 10.744 -12.025 -1.233 1.00 0.00 H new ATOM 0 HG23 THR A 222 11.394 -10.384 -1.454 1.00 0.00 H new ATOM 1038 N ASN A 223 8.642 -10.833 2.547 1.00 0.00 N ATOM 1039 CA ASN A 223 8.064 -10.605 3.867 1.00 0.00 C ATOM 1040 C ASN A 223 8.895 -9.600 4.659 1.00 0.00 C ATOM 1041 O ASN A 223 10.123 -9.596 4.580 1.00 0.00 O ATOM 1042 CB ASN A 223 7.966 -11.923 4.638 1.00 0.00 C ATOM 1043 CG ASN A 223 9.279 -12.311 5.289 1.00 0.00 C ATOM 1044 OD1 ASN A 223 10.273 -12.561 4.606 1.00 0.00 O ATOM 1045 ND2 ASN A 223 9.289 -12.364 6.616 1.00 0.00 N ATOM 0 H ASN A 223 9.060 -11.755 2.423 1.00 0.00 H new ATOM 0 HA ASN A 223 7.063 -10.195 3.732 1.00 0.00 H new ATOM 0 HB2 ASN A 223 7.196 -11.836 5.404 1.00 0.00 H new ATOM 0 HB3 ASN A 223 7.652 -12.716 3.959 1.00 0.00 H new ATOM 0 HD21 ASN A 223 10.144 -12.620 7.110 1.00 0.00 H new ATOM 0 HD22 ASN A 223 8.442 -12.149 7.141 1.00 0.00 H new ATOM 1052 N ASN A 224 8.216 -8.750 5.422 1.00 0.00 N ATOM 1053 CA ASN A 224 8.891 -7.740 6.229 1.00 0.00 C ATOM 1054 C ASN A 224 9.426 -6.612 5.352 1.00 0.00 C ATOM 1055 O ASN A 224 10.380 -5.925 5.720 1.00 0.00 O ATOM 1056 CB ASN A 224 10.037 -8.373 7.021 1.00 0.00 C ATOM 1057 CG ASN A 224 10.418 -7.555 8.240 1.00 0.00 C ATOM 1058 OD1 ASN A 224 11.320 -6.718 8.182 1.00 0.00 O ATOM 1059 ND2 ASN A 224 9.731 -7.793 9.351 1.00 0.00 N ATOM 0 H ASN A 224 7.199 -8.740 5.499 1.00 0.00 H new ATOM 0 HA ASN A 224 8.165 -7.321 6.926 1.00 0.00 H new ATOM 0 HB2 ASN A 224 9.747 -9.376 7.336 1.00 0.00 H new ATOM 0 HB3 ASN A 224 10.907 -8.481 6.373 1.00 0.00 H new ATOM 0 HD21 ASN A 224 9.942 -7.273 10.203 1.00 0.00 H new ATOM 0 HD22 ASN A 224 8.992 -8.496 9.353 1.00 0.00 H new ATOM 1066 N CYS A 225 8.806 -6.427 4.192 1.00 0.00 N ATOM 1067 CA CYS A 225 9.220 -5.382 3.262 1.00 0.00 C ATOM 1068 C CYS A 225 8.397 -4.114 3.468 1.00 0.00 C ATOM 1069 O CYS A 225 7.189 -4.176 3.696 1.00 0.00 O ATOM 1070 CB CYS A 225 9.076 -5.869 1.819 1.00 0.00 C ATOM 1071 SG CYS A 225 10.570 -6.635 1.147 1.00 0.00 S ATOM 0 H CYS A 225 8.015 -6.987 3.873 1.00 0.00 H new ATOM 0 HA CYS A 225 10.267 -5.150 3.457 1.00 0.00 H new ATOM 0 HB2 CYS A 225 8.258 -6.588 1.769 1.00 0.00 H new ATOM 0 HB3 CYS A 225 8.798 -5.025 1.188 1.00 0.00 H new ATOM 0 HG CYS A 225 10.615 -6.444 -0.138 1.00 0.00 H new ATOM 1077 N VAL A 226 9.060 -2.965 3.387 1.00 0.00 N ATOM 1078 CA VAL A 226 8.391 -1.682 3.565 1.00 0.00 C ATOM 1079 C VAL A 226 8.205 -0.969 2.230 1.00 0.00 C ATOM 1080 O VAL A 226 9.134 -0.884 1.426 1.00 0.00 O ATOM 1081 CB VAL A 226 9.180 -0.765 4.519 1.00 0.00 C ATOM 1082 CG1 VAL A 226 10.270 -0.020 3.764 1.00 0.00 C ATOM 1083 CG2 VAL A 226 8.243 0.209 5.217 1.00 0.00 C ATOM 0 H VAL A 226 10.060 -2.896 3.199 1.00 0.00 H new ATOM 0 HA VAL A 226 7.414 -1.892 4.000 1.00 0.00 H new ATOM 0 HB VAL A 226 9.656 -1.384 5.279 1.00 0.00 H new ATOM 0 HG11 VAL A 226 10.817 0.623 4.454 1.00 0.00 H new ATOM 0 HG12 VAL A 226 10.957 -0.737 3.315 1.00 0.00 H new ATOM 0 HG13 VAL A 226 9.819 0.589 2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 226 8.817 0.849 5.887 1.00 0.00 H new ATOM 0 HG22 VAL A 226 7.737 0.824 4.473 1.00 0.00 H new ATOM 0 HG23 VAL A 226 7.503 -0.347 5.792 1.00 0.00 H new ATOM 1093 N ILE A 227 7.001 -0.458 2.002 1.00 0.00 N ATOM 1094 CA ILE A 227 6.694 0.249 0.765 1.00 0.00 C ATOM 1095 C ILE A 227 6.352 1.710 1.037 1.00 0.00 C ATOM 1096 O ILE A 227 5.430 2.013 1.794 1.00 0.00 O ATOM 1097 CB ILE A 227 5.520 -0.409 0.016 1.00 0.00 C ATOM 1098 CG1 ILE A 227 5.866 -1.855 -0.347 1.00 0.00 C ATOM 1099 CG2 ILE A 227 5.175 0.387 -1.234 1.00 0.00 C ATOM 1100 CD1 ILE A 227 4.892 -2.483 -1.320 1.00 0.00 C ATOM 0 H ILE A 227 6.222 -0.520 2.657 1.00 0.00 H new ATOM 0 HA ILE A 227 7.587 0.196 0.142 1.00 0.00 H new ATOM 0 HB ILE A 227 4.649 -0.415 0.671 1.00 0.00 H new ATOM 0 HG12 ILE A 227 6.867 -1.883 -0.778 1.00 0.00 H new ATOM 0 HG13 ILE A 227 5.894 -2.453 0.564 1.00 0.00 H new ATOM 0 HG21 ILE A 227 4.344 -0.091 -1.752 1.00 0.00 H new ATOM 0 HG22 ILE A 227 4.892 1.401 -0.953 1.00 0.00 H new ATOM 0 HG23 ILE A 227 6.042 0.422 -1.894 1.00 0.00 H new ATOM 0 HD11 ILE A 227 5.199 -3.507 -1.532 1.00 0.00 H new ATOM 0 HD12 ILE A 227 3.893 -2.487 -0.884 1.00 0.00 H new ATOM 0 HD13 ILE A 227 4.881 -1.908 -2.246 1.00 0.00 H new ATOM 1112 N HIS A 228 7.101 2.614 0.412 1.00 0.00 N ATOM 1113 CA HIS A 228 6.877 4.045 0.585 1.00 0.00 C ATOM 1114 C HIS A 228 5.604 4.485 -0.132 1.00 0.00 C ATOM 1115 O HIS A 228 5.320 4.037 -1.244 1.00 0.00 O ATOM 1116 CB HIS A 228 8.073 4.838 0.059 1.00 0.00 C ATOM 1117 CG HIS A 228 9.374 4.451 0.694 1.00 0.00 C ATOM 1118 ND1 HIS A 228 9.929 5.140 1.752 1.00 0.00 N ATOM 1119 CD2 HIS A 228 10.229 3.440 0.416 1.00 0.00 C ATOM 1120 CE1 HIS A 228 11.069 4.570 2.096 1.00 0.00 C ATOM 1121 NE2 HIS A 228 11.274 3.535 1.301 1.00 0.00 N ATOM 0 H HIS A 228 7.868 2.381 -0.219 1.00 0.00 H new ATOM 0 HA HIS A 228 6.761 4.244 1.650 1.00 0.00 H new ATOM 0 HB2 HIS A 228 8.148 4.695 -1.019 1.00 0.00 H new ATOM 0 HB3 HIS A 228 7.897 5.900 0.228 1.00 0.00 H new ATOM 0 HD2 HIS A 228 10.111 2.696 -0.358 1.00 0.00 H new ATOM 0 HE1 HIS A 228 11.723 4.895 2.892 1.00 0.00 H new ATOM 0 HE2 HIS A 228 12.078 2.908 1.339 1.00 0.00 H new ATOM 1130 N CYS A 229 4.842 5.363 0.510 1.00 0.00 N ATOM 1131 CA CYS A 229 3.599 5.863 -0.066 1.00 0.00 C ATOM 1132 C CYS A 229 3.682 7.365 -0.319 1.00 0.00 C ATOM 1133 O CYS A 229 4.315 8.099 0.440 1.00 0.00 O ATOM 1134 CB CYS A 229 2.423 5.555 0.861 1.00 0.00 C ATOM 1135 SG CYS A 229 2.247 3.803 1.273 1.00 0.00 S ATOM 0 H CYS A 229 5.063 5.744 1.430 1.00 0.00 H new ATOM 0 HA CYS A 229 3.442 5.360 -1.020 1.00 0.00 H new ATOM 0 HB2 CYS A 229 2.542 6.124 1.783 1.00 0.00 H new ATOM 0 HB3 CYS A 229 1.503 5.901 0.390 1.00 0.00 H new ATOM 0 HG CYS A 229 1.280 3.654 2.129 1.00 0.00 H new ATOM 1141 N HIS A 230 3.041 7.815 -1.393 1.00 0.00 N ATOM 1142 CA HIS A 230 3.043 9.230 -1.748 1.00 0.00 C ATOM 1143 C HIS A 230 1.619 9.767 -1.851 1.00 0.00 C ATOM 1144 O HIS A 230 0.800 9.241 -2.605 1.00 0.00 O ATOM 1145 CB HIS A 230 3.779 9.444 -3.071 1.00 0.00 C ATOM 1146 CG HIS A 230 5.247 9.688 -2.908 1.00 0.00 C ATOM 1147 ND1 HIS A 230 5.971 10.513 -3.743 1.00 0.00 N ATOM 1148 CD2 HIS A 230 6.128 9.211 -1.998 1.00 0.00 C ATOM 1149 CE1 HIS A 230 7.233 10.532 -3.354 1.00 0.00 C ATOM 1150 NE2 HIS A 230 7.355 9.750 -2.297 1.00 0.00 N ATOM 0 H HIS A 230 2.514 7.221 -2.032 1.00 0.00 H new ATOM 0 HA HIS A 230 3.561 9.776 -0.960 1.00 0.00 H new ATOM 0 HB2 HIS A 230 3.633 8.569 -3.704 1.00 0.00 H new ATOM 0 HB3 HIS A 230 3.334 10.292 -3.592 1.00 0.00 H new ATOM 0 HD2 HIS A 230 5.907 8.533 -1.187 1.00 0.00 H new ATOM 0 HE1 HIS A 230 8.030 11.092 -3.821 1.00 0.00 H new ATOM 0 HE2 HIS A 230 8.220 9.575 -1.786 1.00 0.00 H new