USER MOD reduce.3.24.130724 H: found=0, std=0, add=818, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 815 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 94 SER OG : rot 178:sc= 0 USER MOD Set 1.2: A 129 HIS : no HD1:sc= -0.411 X(o=-0.41,f=-0.73) USER MOD Set 2.1: A 64 GLN : amide:sc= -0.705 X(o=-0.71,f=-1.1) USER MOD Set 2.2: A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc=-0.00499 X(o=-0.005,f=-0.23) USER MOD Single : A 17 HIS : no HD1:sc= -0.144 X(o=-0.14,f=-0.019) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0147 USER MOD Single : A 31 GLN : amide:sc= -0.382 X(o=-0.38,f=-0.28) USER MOD Single : A 48 ASN : amide:sc= -0.33 K(o=-0.33,f=-3.7!) USER MOD Single : A 52 TYR OH : rot 180:sc=-0.000852 USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -165:sc= 1.31 (180deg=1.21) USER MOD Single : A 71 CYS SG : rot -121:sc= 0.0566 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 15:sc= 0.312 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= 1.22 K(o=1.2,f=-0.12) USER MOD Single : A 91 SER OG : rot 4:sc= 0.268 USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 ASN : amide:sc= 0.415 X(o=0.41,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 85:sc= 0.177 USER MOD Single : A 101 HIS :FLIP no HD1:sc= -0.348 F(o=-1,f=-0.35) USER MOD Single : A 107 LYS NZ :NH3+ 177:sc= 1.29 (180deg=1.16) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 GLN : amide:sc= -1.03 K(o=-1,f=-4.5!) USER MOD Single : A 110 CYS SG : rot 180:sc= 0 USER MOD Single : A 114 MET CE :methyl 177:sc= -0.323 (180deg=-0.336) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 121 HIS : no HD1:sc= -0.124 X(o=-0.12,f=0) USER MOD Single : A 123 GLN : amide:sc= -0.0627 X(o=-0.063,f=0) USER MOD Single : A 124 SER OG : rot 74:sc= 0.153 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 130 ASN : amide:sc= 0.0478 K(o=0.048,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 109 N TYR A 11 3.826 18.111 -3.988 1.00 0.00 N ATOM 110 CA TYR A 11 3.401 16.718 -3.943 1.00 0.00 C ATOM 111 C TYR A 11 3.150 16.248 -2.512 1.00 0.00 C ATOM 112 O TYR A 11 2.281 15.394 -2.299 1.00 0.00 O ATOM 113 CB TYR A 11 4.440 15.806 -4.595 1.00 0.00 C ATOM 114 CG TYR A 11 4.572 15.894 -6.105 1.00 0.00 C ATOM 115 CD1 TYR A 11 3.473 15.646 -6.956 1.00 0.00 C ATOM 116 CD2 TYR A 11 5.841 16.123 -6.664 1.00 0.00 C ATOM 117 CE1 TYR A 11 3.645 15.633 -8.350 1.00 0.00 C ATOM 118 CE2 TYR A 11 6.027 16.087 -8.055 1.00 0.00 C ATOM 119 CZ TYR A 11 4.924 15.863 -8.906 1.00 0.00 C ATOM 120 OH TYR A 11 5.112 15.838 -10.252 1.00 0.00 O ATOM 0 HA TYR A 11 2.465 16.658 -4.499 1.00 0.00 H new ATOM 0 HB2 TYR A 11 5.412 16.028 -4.155 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.200 14.775 -4.334 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.496 15.465 -6.533 1.00 0.00 H new ATOM 0 HD2 TYR A 11 6.681 16.329 -6.017 1.00 0.00 H new ATOM 0 HE1 TYR A 11 2.800 15.447 -8.997 1.00 0.00 H new ATOM 0 HE2 TYR A 11 7.012 16.230 -8.473 1.00 0.00 H new ATOM 0 HH TYR A 11 6.054 16.018 -10.454 1.00 0.00 H new ATOM 130 N SER A 12 3.849 16.817 -1.527 1.00 0.00 N ATOM 131 CA SER A 12 3.619 16.480 -0.133 1.00 0.00 C ATOM 132 C SER A 12 2.174 16.787 0.276 1.00 0.00 C ATOM 133 O SER A 12 1.625 16.078 1.117 1.00 0.00 O ATOM 134 CB SER A 12 4.634 17.210 0.750 1.00 0.00 C ATOM 135 OG SER A 12 4.550 18.613 0.571 1.00 0.00 O ATOM 0 H SER A 12 4.579 17.514 -1.676 1.00 0.00 H new ATOM 0 HA SER A 12 3.762 15.408 0.004 1.00 0.00 H new ATOM 0 HB2 SER A 12 4.455 16.962 1.796 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.641 16.869 0.510 1.00 0.00 H new ATOM 0 HG SER A 12 5.207 19.056 1.147 1.00 0.00 H new ATOM 141 N GLN A 13 1.541 17.794 -0.338 1.00 0.00 N ATOM 142 CA GLN A 13 0.196 18.226 0.012 1.00 0.00 C ATOM 143 C GLN A 13 -0.850 17.208 -0.426 1.00 0.00 C ATOM 144 O GLN A 13 -1.744 16.875 0.347 1.00 0.00 O ATOM 145 CB GLN A 13 -0.123 19.594 -0.603 1.00 0.00 C ATOM 146 CG GLN A 13 0.952 20.657 -0.323 1.00 0.00 C ATOM 147 CD GLN A 13 0.317 22.012 -0.058 1.00 0.00 C ATOM 148 OE1 GLN A 13 0.330 22.926 -0.881 1.00 0.00 O ATOM 149 NE2 GLN A 13 -0.264 22.164 1.119 1.00 0.00 N ATOM 0 H GLN A 13 1.958 18.332 -1.098 1.00 0.00 H new ATOM 0 HA GLN A 13 0.161 18.311 1.098 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.239 19.481 -1.681 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -1.079 19.944 -0.214 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.551 20.357 0.537 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.629 20.728 -1.174 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.266 21.396 1.790 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -0.711 23.050 1.357 1.00 0.00 H new ATOM 158 N ARG A 14 -0.752 16.699 -1.658 1.00 0.00 N ATOM 159 CA ARG A 14 -1.621 15.624 -2.141 1.00 0.00 C ATOM 160 C ARG A 14 -1.421 14.391 -1.280 1.00 0.00 C ATOM 161 O ARG A 14 -2.406 13.762 -0.903 1.00 0.00 O ATOM 162 CB ARG A 14 -1.352 15.331 -3.617 1.00 0.00 C ATOM 163 CG ARG A 14 -1.679 16.480 -4.586 1.00 0.00 C ATOM 164 CD ARG A 14 -0.966 16.275 -5.934 1.00 0.00 C ATOM 165 NE ARG A 14 -1.302 17.331 -6.906 1.00 0.00 N ATOM 166 CZ ARG A 14 -2.385 17.406 -7.693 1.00 0.00 C ATOM 167 NH1 ARG A 14 -3.313 16.459 -7.692 1.00 0.00 N ATOM 168 NH2 ARG A 14 -2.552 18.462 -8.480 1.00 0.00 N ATOM 0 H ARG A 14 -0.070 17.020 -2.346 1.00 0.00 H new ATOM 0 HA ARG A 14 -2.662 15.936 -2.062 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -0.300 15.069 -3.732 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.933 14.456 -3.908 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.756 16.534 -4.743 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.373 17.430 -4.148 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.112 16.260 -5.775 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.241 15.304 -6.345 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.631 18.095 -6.990 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -3.213 15.648 -7.082 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -4.127 16.542 -8.301 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -1.859 19.210 -8.484 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -3.374 18.525 -9.081 1.00 0.00 H new ATOM 182 N GLN A 15 -0.178 14.059 -0.941 1.00 0.00 N ATOM 183 CA GLN A 15 0.148 12.905 -0.114 1.00 0.00 C ATOM 184 C GLN A 15 -0.561 13.025 1.229 1.00 0.00 C ATOM 185 O GLN A 15 -1.298 12.118 1.600 1.00 0.00 O ATOM 186 CB GLN A 15 1.671 12.786 0.038 1.00 0.00 C ATOM 187 CG GLN A 15 2.283 12.245 -1.262 1.00 0.00 C ATOM 188 CD GLN A 15 3.769 12.555 -1.401 1.00 0.00 C ATOM 189 OE1 GLN A 15 4.485 12.809 -0.433 1.00 0.00 O ATOM 190 NE2 GLN A 15 4.259 12.548 -2.628 1.00 0.00 N ATOM 0 H GLN A 15 0.640 14.592 -1.238 1.00 0.00 H new ATOM 0 HA GLN A 15 -0.202 11.989 -0.591 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.099 13.760 0.274 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.912 12.122 0.868 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.138 11.165 -1.302 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.749 12.670 -2.112 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.651 12.335 -3.419 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.245 12.755 -2.784 1.00 0.00 H new ATOM 199 N ASP A 16 -0.402 14.160 1.911 1.00 0.00 N ATOM 200 CA ASP A 16 -1.010 14.443 3.213 1.00 0.00 C ATOM 201 C ASP A 16 -2.528 14.334 3.164 1.00 0.00 C ATOM 202 O ASP A 16 -3.142 13.737 4.049 1.00 0.00 O ATOM 203 CB ASP A 16 -0.646 15.874 3.660 1.00 0.00 C ATOM 204 CG ASP A 16 0.273 15.886 4.872 1.00 0.00 C ATOM 205 OD1 ASP A 16 1.304 15.179 4.836 1.00 0.00 O ATOM 206 OD2 ASP A 16 -0.026 16.655 5.813 1.00 0.00 O ATOM 0 H ASP A 16 0.169 14.930 1.563 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.625 13.705 3.916 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.162 16.397 2.835 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.559 16.422 3.894 1.00 0.00 H new ATOM 211 N HIS A 17 -3.116 14.897 2.104 1.00 0.00 N ATOM 212 CA HIS A 17 -4.539 14.816 1.821 1.00 0.00 C ATOM 213 C HIS A 17 -4.981 13.356 1.859 1.00 0.00 C ATOM 214 O HIS A 17 -6.024 13.044 2.435 1.00 0.00 O ATOM 215 CB HIS A 17 -4.834 15.423 0.433 1.00 0.00 C ATOM 216 CG HIS A 17 -5.799 16.584 0.360 1.00 0.00 C ATOM 217 ND1 HIS A 17 -6.482 16.960 -0.778 1.00 0.00 N ATOM 218 CD2 HIS A 17 -6.043 17.533 1.318 1.00 0.00 C ATOM 219 CE1 HIS A 17 -7.091 18.128 -0.530 1.00 0.00 C ATOM 220 NE2 HIS A 17 -6.867 18.509 0.738 1.00 0.00 N ATOM 0 H HIS A 17 -2.598 15.432 1.407 1.00 0.00 H new ATOM 0 HA HIS A 17 -5.091 15.378 2.574 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -3.887 15.748 0.002 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -5.219 14.627 -0.205 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -5.670 17.530 2.332 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -7.678 18.683 -1.247 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -7.227 19.348 1.193 1.00 0.00 H new ATOM 228 N GLU A 18 -4.205 12.468 1.235 1.00 0.00 N ATOM 229 CA GLU A 18 -4.602 11.083 1.087 1.00 0.00 C ATOM 230 C GLU A 18 -4.389 10.347 2.396 1.00 0.00 C ATOM 231 O GLU A 18 -5.239 9.556 2.752 1.00 0.00 O ATOM 232 CB GLU A 18 -3.861 10.407 -0.078 1.00 0.00 C ATOM 233 CG GLU A 18 -4.855 9.920 -1.133 1.00 0.00 C ATOM 234 CD GLU A 18 -5.652 11.078 -1.753 1.00 0.00 C ATOM 235 OE1 GLU A 18 -5.024 12.010 -2.317 1.00 0.00 O ATOM 236 OE2 GLU A 18 -6.899 11.077 -1.670 1.00 0.00 O ATOM 0 H GLU A 18 -3.298 12.692 0.826 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.663 11.046 0.841 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.160 11.110 -0.527 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.275 9.566 0.294 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.318 9.388 -1.919 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.544 9.208 -0.680 1.00 0.00 H new ATOM 243 N LEU A 19 -3.318 10.618 3.140 1.00 0.00 N ATOM 244 CA LEU A 19 -3.061 9.993 4.446 1.00 0.00 C ATOM 245 C LEU A 19 -4.238 10.238 5.377 1.00 0.00 C ATOM 246 O LEU A 19 -4.818 9.295 5.909 1.00 0.00 O ATOM 247 CB LEU A 19 -1.767 10.539 5.075 1.00 0.00 C ATOM 248 CG LEU A 19 -0.536 10.229 4.218 1.00 0.00 C ATOM 249 CD1 LEU A 19 0.668 11.090 4.593 1.00 0.00 C ATOM 250 CD2 LEU A 19 -0.124 8.776 4.227 1.00 0.00 C ATOM 0 H LEU A 19 -2.597 11.281 2.856 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.938 8.921 4.295 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.855 11.618 5.206 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.636 10.107 6.067 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.858 10.473 3.206 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.513 10.830 3.956 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.420 12.142 4.456 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.932 10.913 5.636 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.755 8.643 3.596 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.112 8.471 5.247 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.941 8.164 3.845 1.00 0.00 H new ATOM 262 N GLN A 20 -4.623 11.503 5.539 1.00 0.00 N ATOM 263 CA GLN A 20 -5.750 11.844 6.389 1.00 0.00 C ATOM 264 C GLN A 20 -7.056 11.250 5.854 1.00 0.00 C ATOM 265 O GLN A 20 -7.901 10.842 6.649 1.00 0.00 O ATOM 266 CB GLN A 20 -5.874 13.359 6.494 1.00 0.00 C ATOM 267 CG GLN A 20 -4.715 14.013 7.260 1.00 0.00 C ATOM 268 CD GLN A 20 -5.194 15.316 7.888 1.00 0.00 C ATOM 269 OE1 GLN A 20 -5.785 15.325 8.958 1.00 0.00 O ATOM 270 NE2 GLN A 20 -5.044 16.447 7.223 1.00 0.00 N ATOM 0 H GLN A 20 -4.170 12.301 5.093 1.00 0.00 H new ATOM 0 HA GLN A 20 -5.569 11.420 7.377 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.922 13.783 5.491 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -6.813 13.606 6.990 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.348 13.337 8.033 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.882 14.207 6.585 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.553 16.452 6.329 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.419 17.316 7.603 1.00 0.00 H new ATOM 279 N ALA A 21 -7.240 11.195 4.532 1.00 0.00 N ATOM 280 CA ALA A 21 -8.418 10.586 3.927 1.00 0.00 C ATOM 281 C ALA A 21 -8.443 9.070 4.155 1.00 0.00 C ATOM 282 O ALA A 21 -9.501 8.508 4.409 1.00 0.00 O ATOM 283 CB ALA A 21 -8.468 10.915 2.434 1.00 0.00 C ATOM 0 H ALA A 21 -6.576 11.572 3.856 1.00 0.00 H new ATOM 0 HA ALA A 21 -9.304 11.001 4.408 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.351 10.456 1.990 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.515 11.996 2.301 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.574 10.528 1.946 1.00 0.00 H new ATOM 289 N LEU A 22 -7.298 8.395 4.085 1.00 0.00 N ATOM 290 CA LEU A 22 -7.153 6.967 4.339 1.00 0.00 C ATOM 291 C LEU A 22 -7.497 6.690 5.801 1.00 0.00 C ATOM 292 O LEU A 22 -8.169 5.704 6.087 1.00 0.00 O ATOM 293 CB LEU A 22 -5.719 6.512 3.996 1.00 0.00 C ATOM 294 CG LEU A 22 -5.423 6.471 2.481 1.00 0.00 C ATOM 295 CD1 LEU A 22 -3.909 6.512 2.233 1.00 0.00 C ATOM 296 CD2 LEU A 22 -6.015 5.242 1.783 1.00 0.00 C ATOM 0 H LEU A 22 -6.416 8.845 3.841 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.835 6.399 3.706 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.010 7.185 4.477 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -5.552 5.520 4.416 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.903 7.351 2.053 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.715 6.482 1.161 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.497 7.430 2.651 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.439 5.652 2.711 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.771 5.274 0.721 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.598 4.337 2.224 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.098 5.240 1.907 1.00 0.00 H new ATOM 308 N GLU A 23 -7.125 7.578 6.723 1.00 0.00 N ATOM 309 CA GLU A 23 -7.492 7.467 8.127 1.00 0.00 C ATOM 310 C GLU A 23 -8.998 7.709 8.315 1.00 0.00 C ATOM 311 O GLU A 23 -9.635 7.131 9.196 1.00 0.00 O ATOM 312 CB GLU A 23 -6.683 8.494 8.931 1.00 0.00 C ATOM 313 CG GLU A 23 -6.731 8.176 10.428 1.00 0.00 C ATOM 314 CD GLU A 23 -6.433 9.407 11.275 1.00 0.00 C ATOM 315 OE1 GLU A 23 -5.249 9.788 11.382 1.00 0.00 O ATOM 316 OE2 GLU A 23 -7.376 9.960 11.897 1.00 0.00 O ATOM 0 H GLU A 23 -6.557 8.398 6.511 1.00 0.00 H new ATOM 0 HA GLU A 23 -7.268 6.461 8.482 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.648 8.496 8.589 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.079 9.494 8.755 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.716 7.786 10.686 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.008 7.393 10.657 1.00 0.00 H new ATOM 323 N ALA A 24 -9.596 8.552 7.475 1.00 0.00 N ATOM 324 CA ALA A 24 -11.004 8.889 7.530 1.00 0.00 C ATOM 325 C ALA A 24 -11.851 7.762 6.965 1.00 0.00 C ATOM 326 O ALA A 24 -13.082 7.837 7.055 1.00 0.00 O ATOM 327 CB ALA A 24 -11.247 10.139 6.697 1.00 0.00 C ATOM 0 H ALA A 24 -9.097 9.027 6.723 1.00 0.00 H new ATOM 0 HA ALA A 24 -11.281 9.056 8.571 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -12.305 10.400 6.733 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.656 10.963 7.097 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -10.955 9.950 5.664 1.00 0.00 H new ATOM 333 N ILE A 25 -11.222 6.799 6.300 1.00 0.00 N ATOM 334 CA ILE A 25 -11.844 5.645 5.713 1.00 0.00 C ATOM 335 C ILE A 25 -11.607 4.445 6.634 1.00 0.00 C ATOM 336 O ILE A 25 -12.554 3.886 7.178 1.00 0.00 O ATOM 337 CB ILE A 25 -11.324 5.457 4.272 1.00 0.00 C ATOM 338 CG1 ILE A 25 -11.792 6.638 3.387 1.00 0.00 C ATOM 339 CG2 ILE A 25 -11.731 4.090 3.687 1.00 0.00 C ATOM 340 CD1 ILE A 25 -13.228 6.532 2.907 1.00 0.00 C ATOM 0 H ILE A 25 -10.212 6.815 6.155 1.00 0.00 H new ATOM 0 HA ILE A 25 -12.924 5.764 5.624 1.00 0.00 H new ATOM 0 HB ILE A 25 -10.234 5.460 4.293 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -11.677 7.565 3.949 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -11.136 6.708 2.519 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.345 3.999 2.672 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -11.319 3.292 4.305 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -12.818 4.011 3.670 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -13.472 7.400 2.294 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -13.348 5.625 2.315 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -13.897 6.495 3.767 1.00 0.00 H new ATOM 352 N TYR A 26 -10.334 4.054 6.789 1.00 0.00 N ATOM 353 CA TYR A 26 -9.890 2.808 7.404 1.00 0.00 C ATOM 354 C TYR A 26 -9.603 2.958 8.904 1.00 0.00 C ATOM 355 O TYR A 26 -9.631 1.963 9.629 1.00 0.00 O ATOM 356 CB TYR A 26 -8.614 2.355 6.675 1.00 0.00 C ATOM 357 CG TYR A 26 -8.803 2.012 5.208 1.00 0.00 C ATOM 358 CD1 TYR A 26 -9.515 0.850 4.854 1.00 0.00 C ATOM 359 CD2 TYR A 26 -8.274 2.843 4.200 1.00 0.00 C ATOM 360 CE1 TYR A 26 -9.730 0.534 3.502 1.00 0.00 C ATOM 361 CE2 TYR A 26 -8.480 2.527 2.844 1.00 0.00 C ATOM 362 CZ TYR A 26 -9.221 1.379 2.489 1.00 0.00 C ATOM 363 OH TYR A 26 -9.454 1.108 1.176 1.00 0.00 O ATOM 0 H TYR A 26 -9.554 4.630 6.472 1.00 0.00 H new ATOM 0 HA TYR A 26 -10.688 2.071 7.312 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.867 3.145 6.755 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.210 1.482 7.188 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -9.898 0.198 5.626 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -7.710 3.724 4.469 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -10.284 -0.354 3.236 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -8.071 3.164 2.074 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.030 1.795 0.620 1.00 0.00 H new ATOM 373 N GLY A 27 -9.343 4.188 9.362 1.00 0.00 N ATOM 374 CA GLY A 27 -9.011 4.567 10.731 1.00 0.00 C ATOM 375 C GLY A 27 -8.043 3.609 11.392 1.00 0.00 C ATOM 376 O GLY A 27 -6.850 3.680 11.108 1.00 0.00 O ATOM 0 H GLY A 27 -9.362 4.996 8.740 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.580 5.568 10.730 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.926 4.615 11.321 1.00 0.00 H new ATOM 380 N SER A 28 -8.528 2.741 12.277 1.00 0.00 N ATOM 381 CA SER A 28 -7.693 1.891 13.115 1.00 0.00 C ATOM 382 C SER A 28 -6.776 0.967 12.297 1.00 0.00 C ATOM 383 O SER A 28 -5.662 0.678 12.736 1.00 0.00 O ATOM 384 CB SER A 28 -8.605 1.088 14.050 1.00 0.00 C ATOM 385 OG SER A 28 -9.631 1.914 14.586 1.00 0.00 O ATOM 0 H SER A 28 -9.527 2.608 12.433 1.00 0.00 H new ATOM 0 HA SER A 28 -7.024 2.525 13.697 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.050 0.255 13.505 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.016 0.660 14.861 1.00 0.00 H new ATOM 0 HG SER A 28 -10.203 1.382 15.178 1.00 0.00 H new ATOM 391 N ASP A 29 -7.208 0.549 11.098 1.00 0.00 N ATOM 392 CA ASP A 29 -6.424 -0.327 10.224 1.00 0.00 C ATOM 393 C ASP A 29 -5.209 0.411 9.646 1.00 0.00 C ATOM 394 O ASP A 29 -4.221 -0.237 9.293 1.00 0.00 O ATOM 395 CB ASP A 29 -7.266 -0.882 9.056 1.00 0.00 C ATOM 396 CG ASP A 29 -8.358 -1.891 9.431 1.00 0.00 C ATOM 397 OD1 ASP A 29 -8.289 -2.487 10.531 1.00 0.00 O ATOM 398 OD2 ASP A 29 -9.329 -2.051 8.649 1.00 0.00 O ATOM 0 H ASP A 29 -8.114 0.811 10.709 1.00 0.00 H new ATOM 0 HA ASP A 29 -6.090 -1.158 10.845 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.736 -0.043 8.543 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.592 -1.355 8.342 1.00 0.00 H new ATOM 403 N PHE A 30 -5.258 1.745 9.544 1.00 0.00 N ATOM 404 CA PHE A 30 -4.197 2.612 9.031 1.00 0.00 C ATOM 405 C PHE A 30 -3.281 3.041 10.183 1.00 0.00 C ATOM 406 O PHE A 30 -3.739 3.234 11.312 1.00 0.00 O ATOM 407 CB PHE A 30 -4.854 3.835 8.358 1.00 0.00 C ATOM 408 CG PHE A 30 -3.921 4.927 7.861 1.00 0.00 C ATOM 409 CD1 PHE A 30 -3.232 4.776 6.646 1.00 0.00 C ATOM 410 CD2 PHE A 30 -3.782 6.129 8.581 1.00 0.00 C ATOM 411 CE1 PHE A 30 -2.409 5.806 6.161 1.00 0.00 C ATOM 412 CE2 PHE A 30 -2.983 7.171 8.076 1.00 0.00 C ATOM 413 CZ PHE A 30 -2.287 7.015 6.865 1.00 0.00 C ATOM 0 H PHE A 30 -6.082 2.273 9.832 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.588 2.084 8.298 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.444 3.481 7.512 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.550 4.280 9.068 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.336 3.862 6.081 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.291 6.252 9.525 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.865 5.667 5.238 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.904 8.099 8.623 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.668 7.813 6.482 1.00 0.00 H new ATOM 423 N GLN A 31 -1.997 3.273 9.922 1.00 0.00 N ATOM 424 CA GLN A 31 -1.024 3.802 10.849 1.00 0.00 C ATOM 425 C GLN A 31 -0.147 4.795 10.087 1.00 0.00 C ATOM 426 O GLN A 31 0.412 4.445 9.048 1.00 0.00 O ATOM 427 CB GLN A 31 -0.204 2.621 11.399 1.00 0.00 C ATOM 428 CG GLN A 31 0.225 2.906 12.830 1.00 0.00 C ATOM 429 CD GLN A 31 1.314 1.961 13.368 1.00 0.00 C ATOM 430 OE1 GLN A 31 1.308 0.747 13.173 1.00 0.00 O ATOM 431 NE2 GLN A 31 2.295 2.496 14.070 1.00 0.00 N ATOM 0 H GLN A 31 -1.594 3.083 9.004 1.00 0.00 H new ATOM 0 HA GLN A 31 -1.488 4.320 11.688 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.798 1.708 11.364 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.673 2.455 10.774 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.589 3.932 12.890 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -0.649 2.840 13.478 1.00 0.00 H new ATOM 0 HE21 GLN A 31 2.312 3.502 14.239 1.00 0.00 H new ATOM 0 HE22 GLN A 31 3.037 1.904 14.444 1.00 0.00 H new ATOM 440 N ASP A 32 -0.052 6.025 10.595 1.00 0.00 N ATOM 441 CA ASP A 32 0.679 7.149 10.016 1.00 0.00 C ATOM 442 C ASP A 32 2.071 7.247 10.648 1.00 0.00 C ATOM 443 O ASP A 32 2.232 7.792 11.740 1.00 0.00 O ATOM 444 CB ASP A 32 -0.127 8.423 10.284 1.00 0.00 C ATOM 445 CG ASP A 32 0.540 9.640 9.646 1.00 0.00 C ATOM 446 OD1 ASP A 32 0.676 9.690 8.407 1.00 0.00 O ATOM 447 OD2 ASP A 32 0.928 10.571 10.394 1.00 0.00 O ATOM 0 H ASP A 32 -0.510 6.276 11.471 1.00 0.00 H new ATOM 0 HA ASP A 32 0.808 7.011 8.942 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.136 8.308 9.888 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.222 8.578 11.359 1.00 0.00 H new ATOM 452 N LEU A 33 3.084 6.655 10.009 1.00 0.00 N ATOM 453 CA LEU A 33 4.332 6.301 10.690 1.00 0.00 C ATOM 454 C LEU A 33 5.388 7.417 10.643 1.00 0.00 C ATOM 455 O LEU A 33 6.562 7.170 10.945 1.00 0.00 O ATOM 456 CB LEU A 33 4.914 4.999 10.118 1.00 0.00 C ATOM 457 CG LEU A 33 3.936 3.830 9.903 1.00 0.00 C ATOM 458 CD1 LEU A 33 4.654 2.699 9.175 1.00 0.00 C ATOM 459 CD2 LEU A 33 3.392 3.290 11.220 1.00 0.00 C ATOM 0 H LEU A 33 3.064 6.410 9.019 1.00 0.00 H new ATOM 0 HA LEU A 33 4.073 6.156 11.739 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.382 5.229 9.161 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.705 4.660 10.786 1.00 0.00 H new ATOM 0 HG LEU A 33 3.099 4.206 9.315 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.964 1.869 9.021 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.012 3.057 8.210 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.500 2.361 9.773 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.706 2.467 11.020 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.218 2.933 11.836 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.862 4.083 11.747 1.00 0.00 H new ATOM 641 N PRO A 44 9.441 10.453 3.229 1.00 0.00 N ATOM 642 CA PRO A 44 8.190 9.978 2.655 1.00 0.00 C ATOM 643 C PRO A 44 7.284 9.372 3.739 1.00 0.00 C ATOM 644 O PRO A 44 7.799 8.808 4.712 1.00 0.00 O ATOM 645 CB PRO A 44 8.601 8.969 1.583 1.00 0.00 C ATOM 646 CG PRO A 44 9.969 8.465 2.014 1.00 0.00 C ATOM 647 CD PRO A 44 10.550 9.584 2.868 1.00 0.00 C ATOM 0 HA PRO A 44 7.596 10.780 2.216 1.00 0.00 H new ATOM 0 HB2 PRO A 44 7.883 8.151 1.516 1.00 0.00 H new ATOM 0 HB3 PRO A 44 8.645 9.436 0.599 1.00 0.00 H new ATOM 0 HG2 PRO A 44 9.887 7.538 2.581 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.603 8.257 1.152 1.00 0.00 H new ATOM 0 HD2 PRO A 44 11.032 9.181 3.759 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.311 10.136 2.317 1.00 0.00 H new ATOM 655 N PRO A 45 5.952 9.475 3.602 1.00 0.00 N ATOM 656 CA PRO A 45 5.004 8.977 4.586 1.00 0.00 C ATOM 657 C PRO A 45 4.919 7.449 4.545 1.00 0.00 C ATOM 658 O PRO A 45 4.144 6.876 3.784 1.00 0.00 O ATOM 659 CB PRO A 45 3.684 9.664 4.248 1.00 0.00 C ATOM 660 CG PRO A 45 3.764 9.864 2.734 1.00 0.00 C ATOM 661 CD PRO A 45 5.249 10.124 2.503 1.00 0.00 C ATOM 0 HA PRO A 45 5.301 9.204 5.610 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.828 9.049 4.527 1.00 0.00 H new ATOM 0 HB3 PRO A 45 3.579 10.613 4.773 1.00 0.00 H new ATOM 0 HG2 PRO A 45 3.419 8.984 2.191 1.00 0.00 H new ATOM 0 HG3 PRO A 45 3.151 10.703 2.404 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.570 9.720 1.543 1.00 0.00 H new ATOM 0 HD3 PRO A 45 5.459 11.194 2.485 1.00 0.00 H new ATOM 669 N GLU A 46 5.711 6.776 5.376 1.00 0.00 N ATOM 670 CA GLU A 46 5.569 5.341 5.609 1.00 0.00 C ATOM 671 C GLU A 46 4.197 5.146 6.271 1.00 0.00 C ATOM 672 O GLU A 46 3.890 5.830 7.249 1.00 0.00 O ATOM 673 CB GLU A 46 6.746 4.799 6.458 1.00 0.00 C ATOM 674 CG GLU A 46 6.971 3.282 6.276 1.00 0.00 C ATOM 675 CD GLU A 46 7.829 2.590 7.358 1.00 0.00 C ATOM 676 OE1 GLU A 46 7.947 3.084 8.500 1.00 0.00 O ATOM 677 OE2 GLU A 46 8.352 1.473 7.104 1.00 0.00 O ATOM 0 H GLU A 46 6.468 7.209 5.906 1.00 0.00 H new ATOM 0 HA GLU A 46 5.610 4.769 4.682 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.658 5.331 6.187 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.555 5.009 7.510 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.998 2.792 6.244 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.443 3.118 5.307 1.00 0.00 H new ATOM 684 N ILE A 47 3.366 4.253 5.731 1.00 0.00 N ATOM 685 CA ILE A 47 2.066 3.897 6.300 1.00 0.00 C ATOM 686 C ILE A 47 2.008 2.393 6.516 1.00 0.00 C ATOM 687 O ILE A 47 2.814 1.654 5.945 1.00 0.00 O ATOM 688 CB ILE A 47 0.894 4.359 5.417 1.00 0.00 C ATOM 689 CG1 ILE A 47 0.811 3.643 4.048 1.00 0.00 C ATOM 690 CG2 ILE A 47 0.937 5.876 5.226 1.00 0.00 C ATOM 691 CD1 ILE A 47 -0.589 3.095 3.761 1.00 0.00 C ATOM 0 H ILE A 47 3.582 3.748 4.871 1.00 0.00 H new ATOM 0 HA ILE A 47 1.963 4.415 7.254 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.012 4.078 5.953 1.00 0.00 H new ATOM 0 HG12 ILE A 47 1.095 4.339 3.259 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.531 2.825 4.025 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.102 6.188 4.599 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.865 6.367 6.196 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.875 6.156 4.746 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -0.595 2.602 2.789 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.864 2.377 4.534 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.307 3.915 3.756 1.00 0.00 H new ATOM 703 N ASN A 48 1.013 1.913 7.256 1.00 0.00 N ATOM 704 CA ASN A 48 0.726 0.511 7.409 1.00 0.00 C ATOM 705 C ASN A 48 -0.787 0.354 7.372 1.00 0.00 C ATOM 706 O ASN A 48 -1.460 1.012 8.162 1.00 0.00 O ATOM 707 CB ASN A 48 1.300 0.090 8.752 1.00 0.00 C ATOM 708 CG ASN A 48 1.088 -1.384 8.945 1.00 0.00 C ATOM 709 OD1 ASN A 48 1.860 -2.200 8.440 1.00 0.00 O ATOM 710 ND2 ASN A 48 0.038 -1.724 9.652 1.00 0.00 N ATOM 0 H ASN A 48 0.373 2.514 7.775 1.00 0.00 H new ATOM 0 HA ASN A 48 1.161 -0.108 6.624 1.00 0.00 H new ATOM 0 HB2 ASN A 48 2.364 0.324 8.795 1.00 0.00 H new ATOM 0 HB3 ASN A 48 0.818 0.646 9.556 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.175 -2.709 9.808 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.566 -1.003 10.046 1.00 0.00 H new ATOM 717 N LEU A 49 -1.320 -0.444 6.445 1.00 0.00 N ATOM 718 CA LEU A 49 -2.745 -0.703 6.277 1.00 0.00 C ATOM 719 C LEU A 49 -3.011 -2.192 6.383 1.00 0.00 C ATOM 720 O LEU A 49 -2.625 -2.960 5.499 1.00 0.00 O ATOM 721 CB LEU A 49 -3.245 -0.166 4.920 1.00 0.00 C ATOM 722 CG LEU A 49 -3.979 1.169 5.050 1.00 0.00 C ATOM 723 CD1 LEU A 49 -4.199 1.807 3.673 1.00 0.00 C ATOM 724 CD2 LEU A 49 -5.334 0.992 5.739 1.00 0.00 C ATOM 0 H LEU A 49 -0.746 -0.945 5.767 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.288 -0.184 7.067 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.397 -0.046 4.246 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -3.911 -0.900 4.466 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.353 1.822 5.658 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.723 2.756 3.791 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.235 1.982 3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.796 1.138 3.053 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.832 1.959 5.817 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -5.953 0.311 5.155 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.184 0.580 6.737 1.00 0.00 H new ATOM 736 N VAL A 50 -3.663 -2.617 7.457 1.00 0.00 N ATOM 737 CA VAL A 50 -4.235 -3.956 7.516 1.00 0.00 C ATOM 738 C VAL A 50 -5.375 -3.994 6.499 1.00 0.00 C ATOM 739 O VAL A 50 -6.157 -3.048 6.433 1.00 0.00 O ATOM 740 CB VAL A 50 -4.750 -4.271 8.933 1.00 0.00 C ATOM 741 CG1 VAL A 50 -5.098 -5.765 9.026 1.00 0.00 C ATOM 742 CG2 VAL A 50 -3.702 -3.934 10.004 1.00 0.00 C ATOM 0 H VAL A 50 -3.809 -2.056 8.297 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.483 -4.710 7.282 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.633 -3.658 9.114 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.463 -5.992 10.028 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.871 -6.005 8.295 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.208 -6.359 8.821 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.101 -4.170 10.991 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.800 -4.520 9.828 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.460 -2.872 9.955 1.00 0.00 H new ATOM 752 N LEU A 51 -5.469 -5.053 5.693 1.00 0.00 N ATOM 753 CA LEU A 51 -6.622 -5.300 4.838 1.00 0.00 C ATOM 754 C LEU A 51 -6.977 -6.777 4.955 1.00 0.00 C ATOM 755 O LEU A 51 -6.085 -7.618 5.121 1.00 0.00 O ATOM 756 CB LEU A 51 -6.304 -4.915 3.384 1.00 0.00 C ATOM 757 CG LEU A 51 -5.964 -3.420 3.201 1.00 0.00 C ATOM 758 CD1 LEU A 51 -5.342 -3.189 1.831 1.00 0.00 C ATOM 759 CD2 LEU A 51 -7.202 -2.526 3.325 1.00 0.00 C ATOM 0 H LEU A 51 -4.742 -5.764 5.618 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.470 -4.691 5.150 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.465 -5.516 3.033 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -7.159 -5.164 2.756 1.00 0.00 H new ATOM 0 HG LEU A 51 -5.263 -3.157 3.993 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.106 -2.132 1.712 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -4.428 -3.777 1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.046 -3.493 1.056 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.913 -1.484 3.189 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.929 -2.804 2.562 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.646 -2.654 4.312 1.00 0.00 H new ATOM 771 N TYR A 52 -8.269 -7.080 4.836 1.00 0.00 N ATOM 772 CA TYR A 52 -8.859 -8.393 5.067 1.00 0.00 C ATOM 773 C TYR A 52 -9.699 -8.791 3.840 1.00 0.00 C ATOM 774 O TYR A 52 -9.950 -7.946 2.977 1.00 0.00 O ATOM 775 CB TYR A 52 -9.718 -8.334 6.340 1.00 0.00 C ATOM 776 CG TYR A 52 -9.039 -7.805 7.585 1.00 0.00 C ATOM 777 CD1 TYR A 52 -8.286 -8.686 8.372 1.00 0.00 C ATOM 778 CD2 TYR A 52 -9.220 -6.475 8.012 1.00 0.00 C ATOM 779 CE1 TYR A 52 -7.801 -8.279 9.614 1.00 0.00 C ATOM 780 CE2 TYR A 52 -8.717 -6.051 9.256 1.00 0.00 C ATOM 781 CZ TYR A 52 -8.031 -6.971 10.078 1.00 0.00 C ATOM 782 OH TYR A 52 -7.584 -6.613 11.309 1.00 0.00 O ATOM 0 H TYR A 52 -8.962 -6.383 4.563 1.00 0.00 H new ATOM 0 HA TYR A 52 -8.084 -9.146 5.208 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -10.590 -7.712 6.136 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -10.085 -9.338 6.551 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -8.080 -9.684 8.015 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -9.748 -5.776 7.381 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -7.244 -8.974 10.225 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -8.855 -5.030 9.579 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.820 -5.678 11.483 1.00 0.00 H new ATOM 792 N PRO A 53 -10.131 -10.055 3.705 1.00 0.00 N ATOM 793 CA PRO A 53 -11.103 -10.445 2.708 1.00 0.00 C ATOM 794 C PRO A 53 -12.489 -9.996 3.178 1.00 0.00 C ATOM 795 O PRO A 53 -12.805 -10.016 4.374 1.00 0.00 O ATOM 796 CB PRO A 53 -10.960 -11.965 2.602 1.00 0.00 C ATOM 797 CG PRO A 53 -10.377 -12.432 3.917 1.00 0.00 C ATOM 798 CD PRO A 53 -9.915 -11.155 4.618 1.00 0.00 C ATOM 0 HA PRO A 53 -10.955 -9.990 1.728 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.926 -12.434 2.417 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -10.310 -12.237 1.771 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -11.120 -12.963 4.512 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -9.546 -13.119 3.759 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -10.473 -11.002 5.542 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -8.862 -11.226 4.890 1.00 0.00 H new ATOM 896 N VAL A 61 -10.827 -14.813 9.932 1.00 0.00 N ATOM 897 CA VAL A 61 -10.127 -14.483 8.696 1.00 0.00 C ATOM 898 C VAL A 61 -9.044 -15.531 8.437 1.00 0.00 C ATOM 899 O VAL A 61 -8.352 -16.017 9.332 1.00 0.00 O ATOM 900 CB VAL A 61 -9.600 -13.026 8.746 1.00 0.00 C ATOM 901 CG1 VAL A 61 -9.023 -12.598 7.405 1.00 0.00 C ATOM 902 CG2 VAL A 61 -10.703 -12.021 9.113 1.00 0.00 C ATOM 0 HA VAL A 61 -10.807 -14.517 7.845 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.827 -13.021 9.515 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -8.663 -11.572 7.475 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -8.196 -13.256 7.138 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -9.797 -12.660 6.640 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -10.285 -11.014 9.135 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -11.499 -12.067 8.370 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -11.108 -12.268 10.094 1.00 0.00 H new ATOM 912 N TYR A 62 -8.956 -15.923 7.168 1.00 0.00 N ATOM 913 CA TYR A 62 -8.084 -16.979 6.686 1.00 0.00 C ATOM 914 C TYR A 62 -6.758 -16.352 6.257 1.00 0.00 C ATOM 915 O TYR A 62 -5.669 -16.841 6.559 1.00 0.00 O ATOM 916 CB TYR A 62 -8.728 -17.668 5.478 1.00 0.00 C ATOM 917 CG TYR A 62 -9.966 -18.509 5.742 1.00 0.00 C ATOM 918 CD1 TYR A 62 -11.113 -17.957 6.342 1.00 0.00 C ATOM 919 CD2 TYR A 62 -9.992 -19.851 5.329 1.00 0.00 C ATOM 920 CE1 TYR A 62 -12.276 -18.719 6.516 1.00 0.00 C ATOM 921 CE2 TYR A 62 -11.158 -20.620 5.476 1.00 0.00 C ATOM 922 CZ TYR A 62 -12.304 -20.061 6.086 1.00 0.00 C ATOM 923 OH TYR A 62 -13.407 -20.829 6.284 1.00 0.00 O ATOM 0 H TYR A 62 -9.511 -15.497 6.426 1.00 0.00 H new ATOM 0 HA TYR A 62 -7.920 -17.714 7.474 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -8.989 -16.900 4.750 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -7.977 -18.307 5.013 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -11.097 -16.929 6.674 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -9.108 -20.295 4.895 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -13.148 -18.280 6.978 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -11.179 -21.640 5.122 1.00 0.00 H new ATOM 0 HH TYR A 62 -13.250 -21.727 5.923 1.00 0.00 H new ATOM 933 N VAL A 63 -6.863 -15.248 5.517 1.00 0.00 N ATOM 934 CA VAL A 63 -5.787 -14.563 4.836 1.00 0.00 C ATOM 935 C VAL A 63 -5.946 -13.076 5.131 1.00 0.00 C ATOM 936 O VAL A 63 -7.036 -12.526 5.061 1.00 0.00 O ATOM 937 CB VAL A 63 -5.836 -14.853 3.318 1.00 0.00 C ATOM 938 CG1 VAL A 63 -5.456 -16.290 2.955 1.00 0.00 C ATOM 939 CG2 VAL A 63 -7.203 -14.546 2.700 1.00 0.00 C ATOM 0 H VAL A 63 -7.762 -14.787 5.374 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.815 -14.910 5.186 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.087 -14.179 2.901 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.513 -16.419 1.874 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.440 -16.494 3.292 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.144 -16.982 3.440 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.178 -14.768 1.633 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.966 -15.159 3.181 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.440 -13.492 2.845 1.00 0.00 H new ATOM 949 N GLN A 64 -4.841 -12.409 5.400 1.00 0.00 N ATOM 950 CA GLN A 64 -4.706 -10.958 5.490 1.00 0.00 C ATOM 951 C GLN A 64 -3.236 -10.625 5.227 1.00 0.00 C ATOM 952 O GLN A 64 -2.372 -11.506 5.320 1.00 0.00 O ATOM 953 CB GLN A 64 -5.197 -10.434 6.859 1.00 0.00 C ATOM 954 CG GLN A 64 -4.364 -10.934 8.042 1.00 0.00 C ATOM 955 CD GLN A 64 -4.806 -10.304 9.356 1.00 0.00 C ATOM 956 OE1 GLN A 64 -5.751 -10.761 9.976 1.00 0.00 O ATOM 957 NE2 GLN A 64 -4.129 -9.269 9.826 1.00 0.00 N ATOM 0 H GLN A 64 -3.958 -12.889 5.573 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.332 -10.461 4.749 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.180 -9.344 6.849 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.235 -10.735 7.003 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.449 -12.018 8.113 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -3.312 -10.707 7.867 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -3.340 -8.894 9.300 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -4.396 -8.846 10.715 1.00 0.00 H new ATOM 966 N VAL A 65 -2.913 -9.382 4.905 1.00 0.00 N ATOM 967 CA VAL A 65 -1.536 -8.903 4.904 1.00 0.00 C ATOM 968 C VAL A 65 -1.597 -7.425 5.297 1.00 0.00 C ATOM 969 O VAL A 65 -2.666 -6.809 5.216 1.00 0.00 O ATOM 970 CB VAL A 65 -0.840 -9.235 3.556 1.00 0.00 C ATOM 971 CG1 VAL A 65 -1.176 -8.311 2.383 1.00 0.00 C ATOM 972 CG2 VAL A 65 0.684 -9.275 3.676 1.00 0.00 C ATOM 0 H VAL A 65 -3.597 -8.675 4.637 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.898 -9.407 5.630 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.249 -10.220 3.332 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.634 -8.638 1.496 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -2.248 -8.347 2.187 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.886 -7.290 2.630 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.119 -9.511 2.705 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.048 -8.304 4.010 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.972 -10.039 4.398 1.00 0.00 H new ATOM 982 N GLU A 66 -0.484 -6.849 5.730 1.00 0.00 N ATOM 983 CA GLU A 66 -0.346 -5.416 5.935 1.00 0.00 C ATOM 984 C GLU A 66 0.335 -4.816 4.708 1.00 0.00 C ATOM 985 O GLU A 66 1.339 -5.333 4.221 1.00 0.00 O ATOM 986 CB GLU A 66 0.472 -5.150 7.196 1.00 0.00 C ATOM 987 CG GLU A 66 -0.360 -5.353 8.472 1.00 0.00 C ATOM 988 CD GLU A 66 0.452 -6.086 9.531 1.00 0.00 C ATOM 989 OE1 GLU A 66 1.557 -5.599 9.873 1.00 0.00 O ATOM 990 OE2 GLU A 66 0.050 -7.204 9.920 1.00 0.00 O ATOM 0 H GLU A 66 0.362 -7.374 5.952 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.325 -4.955 6.066 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.335 -5.815 7.216 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.856 -4.130 7.171 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -0.684 -4.387 8.859 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.260 -5.921 8.239 1.00 0.00 H new ATOM 997 N LEU A 67 -0.230 -3.719 4.213 1.00 0.00 N ATOM 998 CA LEU A 67 0.205 -2.936 3.077 1.00 0.00 C ATOM 999 C LEU A 67 1.083 -1.825 3.641 1.00 0.00 C ATOM 1000 O LEU A 67 0.610 -1.002 4.421 1.00 0.00 O ATOM 1001 CB LEU A 67 -1.064 -2.376 2.398 1.00 0.00 C ATOM 1002 CG LEU A 67 -0.782 -1.333 1.303 1.00 0.00 C ATOM 1003 CD1 LEU A 67 -1.194 -1.840 -0.068 1.00 0.00 C ATOM 1004 CD2 LEU A 67 -1.513 -0.010 1.533 1.00 0.00 C ATOM 0 H LEU A 67 -1.072 -3.329 4.636 1.00 0.00 H new ATOM 0 HA LEU A 67 0.769 -3.504 2.338 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.625 -3.203 1.962 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.701 -1.925 3.159 1.00 0.00 H new ATOM 0 HG LEU A 67 0.294 -1.164 1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.980 -1.078 -0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.636 -2.746 -0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.261 -2.060 -0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -1.273 0.683 0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.588 -0.187 1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.200 0.418 2.485 1.00 0.00 H new ATOM 1016 N ARG A 68 2.356 -1.791 3.251 1.00 0.00 N ATOM 1017 CA ARG A 68 3.303 -0.741 3.601 1.00 0.00 C ATOM 1018 C ARG A 68 3.579 0.026 2.319 1.00 0.00 C ATOM 1019 O ARG A 68 4.167 -0.514 1.380 1.00 0.00 O ATOM 1020 CB ARG A 68 4.573 -1.357 4.226 1.00 0.00 C ATOM 1021 CG ARG A 68 4.649 -1.253 5.764 1.00 0.00 C ATOM 1022 CD ARG A 68 5.561 -0.095 6.212 1.00 0.00 C ATOM 1023 NE ARG A 68 6.169 -0.194 7.559 1.00 0.00 N ATOM 1024 CZ ARG A 68 5.622 -0.490 8.748 1.00 0.00 C ATOM 1025 NH1 ARG A 68 4.449 -1.091 8.848 1.00 0.00 N ATOM 1026 NH2 ARG A 68 6.251 -0.189 9.881 1.00 0.00 N ATOM 0 H ARG A 68 2.767 -2.517 2.665 1.00 0.00 H new ATOM 0 HA ARG A 68 2.910 -0.059 4.355 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.628 -2.408 3.943 1.00 0.00 H new ATOM 0 HB3 ARG A 68 5.447 -0.866 3.798 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.648 -1.105 6.169 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.023 -2.191 6.174 1.00 0.00 H new ATOM 0 HD2 ARG A 68 6.367 0.001 5.484 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.981 0.827 6.170 1.00 0.00 H new ATOM 0 HE ARG A 68 7.171 -0.006 7.588 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.932 -1.344 8.006 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.061 -1.302 9.767 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.160 0.272 9.852 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.824 -0.420 10.778 1.00 0.00 H new ATOM 1040 N VAL A 69 3.100 1.261 2.232 1.00 0.00 N ATOM 1041 CA VAL A 69 3.332 2.154 1.097 1.00 0.00 C ATOM 1042 C VAL A 69 4.054 3.364 1.663 1.00 0.00 C ATOM 1043 O VAL A 69 3.582 3.972 2.621 1.00 0.00 O ATOM 1044 CB VAL A 69 2.012 2.517 0.380 1.00 0.00 C ATOM 1045 CG1 VAL A 69 2.223 3.602 -0.682 1.00 0.00 C ATOM 1046 CG2 VAL A 69 1.437 1.293 -0.340 1.00 0.00 C ATOM 0 H VAL A 69 2.526 1.681 2.963 1.00 0.00 H new ATOM 0 HA VAL A 69 3.938 1.679 0.325 1.00 0.00 H new ATOM 0 HB VAL A 69 1.331 2.877 1.152 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.272 3.830 -1.164 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.615 4.503 -0.209 1.00 0.00 H new ATOM 0 HG13 VAL A 69 2.932 3.247 -1.429 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.508 1.568 -0.839 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.154 0.936 -1.079 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.240 0.504 0.385 1.00 0.00 H new ATOM 1056 N LYS A 70 5.224 3.697 1.118 1.00 0.00 N ATOM 1057 CA LYS A 70 5.953 4.898 1.524 1.00 0.00 C ATOM 1058 C LYS A 70 5.467 6.170 0.843 1.00 0.00 C ATOM 1059 O LYS A 70 5.696 7.220 1.411 1.00 0.00 O ATOM 1060 CB LYS A 70 7.459 4.728 1.289 1.00 0.00 C ATOM 1061 CG LYS A 70 7.824 4.435 -0.173 1.00 0.00 C ATOM 1062 CD LYS A 70 9.326 4.191 -0.345 1.00 0.00 C ATOM 1063 CE LYS A 70 10.021 5.348 -1.064 1.00 0.00 C ATOM 1064 NZ LYS A 70 11.443 5.036 -1.296 1.00 0.00 N ATOM 0 H LYS A 70 5.688 3.150 0.393 1.00 0.00 H new ATOM 0 HA LYS A 70 5.754 5.015 2.589 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.973 5.635 1.608 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.827 3.916 1.916 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.272 3.561 -0.518 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.518 5.273 -0.799 1.00 0.00 H new ATOM 0 HD2 LYS A 70 9.783 4.047 0.634 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.481 3.270 -0.908 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.526 5.542 -2.015 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.935 6.257 -0.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.953 5.907 -1.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.855 4.630 -0.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 11.526 4.351 -2.074 1.00 0.00 H new ATOM 1078 N CYS A 71 4.874 6.086 -0.353 1.00 0.00 N ATOM 1079 CA CYS A 71 4.757 7.154 -1.342 1.00 0.00 C ATOM 1080 C CYS A 71 6.034 8.003 -1.517 1.00 0.00 C ATOM 1081 O CYS A 71 6.377 8.805 -0.652 1.00 0.00 O ATOM 1082 CB CYS A 71 3.545 8.029 -1.051 1.00 0.00 C ATOM 1083 SG CYS A 71 2.056 7.058 -1.384 1.00 0.00 S ATOM 0 H CYS A 71 4.439 5.220 -0.671 1.00 0.00 H new ATOM 0 HA CYS A 71 4.615 6.655 -2.300 1.00 0.00 H new ATOM 0 HB2 CYS A 71 3.557 8.363 -0.013 1.00 0.00 H new ATOM 0 HB3 CYS A 71 3.563 8.923 -1.674 1.00 0.00 H new ATOM 0 HG CYS A 71 1.338 7.660 -2.286 1.00 0.00 H new ATOM 1089 N PRO A 72 6.752 7.898 -2.651 1.00 0.00 N ATOM 1090 CA PRO A 72 7.851 8.811 -2.927 1.00 0.00 C ATOM 1091 C PRO A 72 7.336 10.252 -2.914 1.00 0.00 C ATOM 1092 O PRO A 72 6.156 10.483 -3.178 1.00 0.00 O ATOM 1093 CB PRO A 72 8.394 8.423 -4.302 1.00 0.00 C ATOM 1094 CG PRO A 72 7.179 7.801 -4.980 1.00 0.00 C ATOM 1095 CD PRO A 72 6.476 7.091 -3.826 1.00 0.00 C ATOM 0 HA PRO A 72 8.639 8.746 -2.177 1.00 0.00 H new ATOM 0 HB2 PRO A 72 8.764 9.289 -4.850 1.00 0.00 H new ATOM 0 HB3 PRO A 72 9.221 7.717 -4.226 1.00 0.00 H new ATOM 0 HG2 PRO A 72 6.541 8.556 -5.439 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.467 7.105 -5.768 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.404 7.014 -4.007 1.00 0.00 H new ATOM 0 HD3 PRO A 72 6.852 6.075 -3.702 1.00 0.00 H new ATOM 1103 N PRO A 73 8.217 11.244 -2.731 1.00 0.00 N ATOM 1104 CA PRO A 73 7.872 12.659 -2.690 1.00 0.00 C ATOM 1105 C PRO A 73 7.412 13.187 -4.058 1.00 0.00 C ATOM 1106 O PRO A 73 7.250 14.389 -4.228 1.00 0.00 O ATOM 1107 CB PRO A 73 9.134 13.362 -2.189 1.00 0.00 C ATOM 1108 CG PRO A 73 10.258 12.465 -2.703 1.00 0.00 C ATOM 1109 CD PRO A 73 9.652 11.065 -2.679 1.00 0.00 C ATOM 0 HA PRO A 73 7.023 12.846 -2.033 1.00 0.00 H new ATOM 0 HB2 PRO A 73 9.215 14.375 -2.583 1.00 0.00 H new ATOM 0 HB3 PRO A 73 9.147 13.441 -1.102 1.00 0.00 H new ATOM 0 HG2 PRO A 73 10.567 12.749 -3.709 1.00 0.00 H new ATOM 0 HG3 PRO A 73 11.142 12.529 -2.068 1.00 0.00 H new ATOM 0 HD2 PRO A 73 10.001 10.475 -3.526 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.945 10.530 -1.776 1.00 0.00 H new ATOM 1117 N THR A 74 7.204 12.310 -5.036 1.00 0.00 N ATOM 1118 CA THR A 74 6.773 12.597 -6.388 1.00 0.00 C ATOM 1119 C THR A 74 5.523 11.790 -6.766 1.00 0.00 C ATOM 1120 O THR A 74 4.904 12.072 -7.787 1.00 0.00 O ATOM 1121 CB THR A 74 7.962 12.313 -7.313 1.00 0.00 C ATOM 1122 OG1 THR A 74 8.519 11.042 -7.005 1.00 0.00 O ATOM 1123 CG2 THR A 74 9.066 13.351 -7.135 1.00 0.00 C ATOM 0 H THR A 74 7.344 11.311 -4.887 1.00 0.00 H new ATOM 0 HA THR A 74 6.475 13.641 -6.485 1.00 0.00 H new ATOM 0 HB THR A 74 7.590 12.344 -8.337 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.277 10.864 -7.600 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.894 13.120 -7.805 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.675 14.341 -7.368 1.00 0.00 H new ATOM 0 HG23 THR A 74 9.419 13.334 -6.104 1.00 0.00 H new ATOM 1131 N TYR A 75 5.085 10.822 -5.951 1.00 0.00 N ATOM 1132 CA TYR A 75 3.775 10.193 -6.112 1.00 0.00 C ATOM 1133 C TYR A 75 2.716 11.295 -6.045 1.00 0.00 C ATOM 1134 O TYR A 75 2.885 12.160 -5.177 1.00 0.00 O ATOM 1135 CB TYR A 75 3.573 9.201 -4.957 1.00 0.00 C ATOM 1136 CG TYR A 75 2.146 8.745 -4.750 1.00 0.00 C ATOM 1137 CD1 TYR A 75 1.237 9.531 -4.016 1.00 0.00 C ATOM 1138 CD2 TYR A 75 1.720 7.536 -5.315 1.00 0.00 C ATOM 1139 CE1 TYR A 75 -0.106 9.143 -3.903 1.00 0.00 C ATOM 1140 CE2 TYR A 75 0.394 7.107 -5.158 1.00 0.00 C ATOM 1141 CZ TYR A 75 -0.540 7.933 -4.487 1.00 0.00 C ATOM 1142 OH TYR A 75 -1.857 7.595 -4.417 1.00 0.00 O ATOM 0 H TYR A 75 5.627 10.457 -5.168 1.00 0.00 H new ATOM 0 HA TYR A 75 3.699 9.664 -7.062 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.196 8.325 -5.137 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.929 9.662 -4.035 1.00 0.00 H new ATOM 0 HD1 TYR A 75 1.576 10.438 -3.537 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.417 6.930 -5.875 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -0.807 9.769 -3.370 1.00 0.00 H new ATOM 0 HE2 TYR A 75 0.086 6.148 -5.548 1.00 0.00 H new ATOM 0 HH TYR A 75 -2.383 8.380 -4.157 1.00 0.00 H new ATOM 1152 N PRO A 76 1.614 11.265 -6.824 1.00 0.00 N ATOM 1153 CA PRO A 76 1.214 10.245 -7.798 1.00 0.00 C ATOM 1154 C PRO A 76 1.698 10.527 -9.235 1.00 0.00 C ATOM 1155 O PRO A 76 1.134 9.982 -10.189 1.00 0.00 O ATOM 1156 CB PRO A 76 -0.318 10.250 -7.720 1.00 0.00 C ATOM 1157 CG PRO A 76 -0.640 11.726 -7.511 1.00 0.00 C ATOM 1158 CD PRO A 76 0.507 12.194 -6.622 1.00 0.00 C ATOM 0 HA PRO A 76 1.664 9.281 -7.561 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -0.771 9.862 -8.633 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -0.683 9.636 -6.897 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -0.671 12.272 -8.454 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -1.608 11.866 -7.030 1.00 0.00 H new ATOM 0 HD2 PRO A 76 0.805 13.210 -6.881 1.00 0.00 H new ATOM 0 HD3 PRO A 76 0.202 12.208 -5.576 1.00 0.00 H new ATOM 1166 N ASP A 77 2.688 11.402 -9.441 1.00 0.00 N ATOM 1167 CA ASP A 77 3.302 11.599 -10.764 1.00 0.00 C ATOM 1168 C ASP A 77 4.064 10.355 -11.202 1.00 0.00 C ATOM 1169 O ASP A 77 4.176 10.082 -12.396 1.00 0.00 O ATOM 1170 CB ASP A 77 4.290 12.762 -10.731 1.00 0.00 C ATOM 1171 CG ASP A 77 4.777 13.147 -12.123 1.00 0.00 C ATOM 1172 OD1 ASP A 77 3.967 13.640 -12.940 1.00 0.00 O ATOM 1173 OD2 ASP A 77 5.994 13.016 -12.387 1.00 0.00 O ATOM 0 H ASP A 77 3.084 11.989 -8.707 1.00 0.00 H new ATOM 0 HA ASP A 77 2.494 11.808 -11.465 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.817 13.625 -10.263 1.00 0.00 H new ATOM 0 HB3 ASP A 77 5.145 12.492 -10.111 1.00 0.00 H new ATOM 1178 N VAL A 78 4.576 9.598 -10.230 1.00 0.00 N ATOM 1179 CA VAL A 78 5.234 8.324 -10.438 1.00 0.00 C ATOM 1180 C VAL A 78 4.540 7.273 -9.576 1.00 0.00 C ATOM 1181 O VAL A 78 3.945 7.583 -8.534 1.00 0.00 O ATOM 1182 CB VAL A 78 6.750 8.432 -10.151 1.00 0.00 C ATOM 1183 CG1 VAL A 78 7.426 9.535 -10.983 1.00 0.00 C ATOM 1184 CG2 VAL A 78 7.068 8.676 -8.667 1.00 0.00 C ATOM 0 H VAL A 78 4.539 9.871 -9.248 1.00 0.00 H new ATOM 0 HA VAL A 78 5.151 8.020 -11.481 1.00 0.00 H new ATOM 0 HB VAL A 78 7.152 7.461 -10.439 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.489 9.570 -10.745 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.299 9.320 -12.044 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.970 10.497 -10.750 1.00 0.00 H new ATOM 0 HG21 VAL A 78 8.148 8.742 -8.532 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.604 9.608 -8.344 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.678 7.851 -8.071 1.00 0.00 H new ATOM 1194 N VAL A 79 4.655 6.015 -9.990 1.00 0.00 N ATOM 1195 CA VAL A 79 4.179 4.878 -9.219 1.00 0.00 C ATOM 1196 C VAL A 79 4.898 4.801 -7.863 1.00 0.00 C ATOM 1197 O VAL A 79 6.118 4.997 -7.792 1.00 0.00 O ATOM 1198 CB VAL A 79 4.326 3.582 -10.032 1.00 0.00 C ATOM 1199 CG1 VAL A 79 3.304 3.569 -11.168 1.00 0.00 C ATOM 1200 CG2 VAL A 79 5.713 3.367 -10.651 1.00 0.00 C ATOM 0 H VAL A 79 5.085 5.757 -10.878 1.00 0.00 H new ATOM 0 HA VAL A 79 3.118 5.011 -9.008 1.00 0.00 H new ATOM 0 HB VAL A 79 4.164 2.777 -9.316 1.00 0.00 H new ATOM 0 HG11 VAL A 79 3.411 2.649 -11.743 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.298 3.623 -10.753 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.474 4.426 -11.820 1.00 0.00 H new ATOM 0 HG21 VAL A 79 5.723 2.428 -11.205 1.00 0.00 H new ATOM 0 HG22 VAL A 79 5.941 4.190 -11.328 1.00 0.00 H new ATOM 0 HG23 VAL A 79 6.462 3.329 -9.860 1.00 0.00 H new ATOM 1210 N PRO A 80 4.177 4.514 -6.765 1.00 0.00 N ATOM 1211 CA PRO A 80 4.784 4.304 -5.463 1.00 0.00 C ATOM 1212 C PRO A 80 5.535 2.966 -5.410 1.00 0.00 C ATOM 1213 O PRO A 80 5.450 2.138 -6.323 1.00 0.00 O ATOM 1214 CB PRO A 80 3.628 4.386 -4.459 1.00 0.00 C ATOM 1215 CG PRO A 80 2.385 3.999 -5.262 1.00 0.00 C ATOM 1216 CD PRO A 80 2.741 4.300 -6.713 1.00 0.00 C ATOM 0 HA PRO A 80 5.543 5.052 -5.232 1.00 0.00 H new ATOM 0 HB2 PRO A 80 3.784 3.708 -3.620 1.00 0.00 H new ATOM 0 HB3 PRO A 80 3.535 5.390 -4.044 1.00 0.00 H new ATOM 0 HG2 PRO A 80 2.140 2.946 -5.126 1.00 0.00 H new ATOM 0 HG3 PRO A 80 1.515 4.572 -4.942 1.00 0.00 H new ATOM 0 HD2 PRO A 80 2.451 3.472 -7.360 1.00 0.00 H new ATOM 0 HD3 PRO A 80 2.207 5.182 -7.066 1.00 0.00 H new ATOM 1224 N GLU A 81 6.285 2.754 -4.330 1.00 0.00 N ATOM 1225 CA GLU A 81 6.730 1.427 -3.923 1.00 0.00 C ATOM 1226 C GLU A 81 5.600 0.755 -3.147 1.00 0.00 C ATOM 1227 O GLU A 81 4.712 1.421 -2.600 1.00 0.00 O ATOM 1228 CB GLU A 81 7.976 1.522 -3.039 1.00 0.00 C ATOM 1229 CG GLU A 81 9.264 1.740 -3.845 1.00 0.00 C ATOM 1230 CD GLU A 81 10.461 1.887 -2.905 1.00 0.00 C ATOM 1231 OE1 GLU A 81 10.628 1.048 -1.991 1.00 0.00 O ATOM 1232 OE2 GLU A 81 11.161 2.922 -2.995 1.00 0.00 O ATOM 0 H GLU A 81 6.601 3.502 -3.712 1.00 0.00 H new ATOM 0 HA GLU A 81 6.984 0.843 -4.808 1.00 0.00 H new ATOM 0 HB2 GLU A 81 7.852 2.342 -2.332 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.070 0.608 -2.453 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.425 0.900 -4.521 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.167 2.632 -4.464 1.00 0.00 H new ATOM 1239 N ILE A 82 5.650 -0.573 -3.107 1.00 0.00 N ATOM 1240 CA ILE A 82 4.654 -1.459 -2.536 1.00 0.00 C ATOM 1241 C ILE A 82 5.468 -2.533 -1.795 1.00 0.00 C ATOM 1242 O ILE A 82 6.410 -3.093 -2.353 1.00 0.00 O ATOM 1243 CB ILE A 82 3.770 -2.017 -3.686 1.00 0.00 C ATOM 1244 CG1 ILE A 82 2.915 -0.925 -4.383 1.00 0.00 C ATOM 1245 CG2 ILE A 82 2.825 -3.128 -3.202 1.00 0.00 C ATOM 1246 CD1 ILE A 82 2.462 -1.324 -5.791 1.00 0.00 C ATOM 0 H ILE A 82 6.439 -1.087 -3.499 1.00 0.00 H new ATOM 0 HA ILE A 82 3.963 -0.983 -1.840 1.00 0.00 H new ATOM 0 HB ILE A 82 4.480 -2.421 -4.407 1.00 0.00 H new ATOM 0 HG12 ILE A 82 2.038 -0.714 -3.772 1.00 0.00 H new ATOM 0 HG13 ILE A 82 3.492 -0.002 -4.441 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.227 -3.488 -4.039 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.411 -3.952 -2.794 1.00 0.00 H new ATOM 0 HG23 ILE A 82 2.166 -2.734 -2.428 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.869 -0.519 -6.224 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.336 -1.508 -6.416 1.00 0.00 H new ATOM 0 HD13 ILE A 82 1.859 -2.230 -5.736 1.00 0.00 H new ATOM 1258 N ASP A 83 5.122 -2.833 -0.543 1.00 0.00 N ATOM 1259 CA ASP A 83 5.778 -3.804 0.329 1.00 0.00 C ATOM 1260 C ASP A 83 4.670 -4.405 1.183 1.00 0.00 C ATOM 1261 O ASP A 83 3.999 -3.673 1.910 1.00 0.00 O ATOM 1262 CB ASP A 83 6.802 -3.159 1.269 1.00 0.00 C ATOM 1263 CG ASP A 83 8.019 -2.545 0.581 1.00 0.00 C ATOM 1264 OD1 ASP A 83 8.806 -3.316 -0.010 1.00 0.00 O ATOM 1265 OD2 ASP A 83 8.230 -1.314 0.747 1.00 0.00 O ATOM 0 H ASP A 83 4.332 -2.379 -0.086 1.00 0.00 H new ATOM 0 HA ASP A 83 6.314 -4.532 -0.280 1.00 0.00 H new ATOM 0 HB2 ASP A 83 6.302 -2.383 1.848 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.147 -3.913 1.977 1.00 0.00 H new ATOM 1270 N LEU A 84 4.447 -5.715 1.098 1.00 0.00 N ATOM 1271 CA LEU A 84 3.381 -6.392 1.848 1.00 0.00 C ATOM 1272 C LEU A 84 4.018 -7.260 2.925 1.00 0.00 C ATOM 1273 O LEU A 84 4.874 -8.091 2.619 1.00 0.00 O ATOM 1274 CB LEU A 84 2.457 -7.214 0.933 1.00 0.00 C ATOM 1275 CG LEU A 84 1.313 -6.462 0.224 1.00 0.00 C ATOM 1276 CD1 LEU A 84 1.664 -5.051 -0.233 1.00 0.00 C ATOM 1277 CD2 LEU A 84 0.886 -7.268 -1.006 1.00 0.00 C ATOM 0 H LEU A 84 4.997 -6.340 0.509 1.00 0.00 H new ATOM 0 HA LEU A 84 2.745 -5.639 2.314 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.073 -7.688 0.169 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.017 -8.014 1.529 1.00 0.00 H new ATOM 0 HG LEU A 84 0.517 -6.361 0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.799 -4.601 -0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 84 1.948 -4.449 0.630 1.00 0.00 H new ATOM 0 HD13 LEU A 84 2.496 -5.093 -0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.077 -6.748 -1.519 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.734 -7.376 -1.683 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.543 -8.254 -0.694 1.00 0.00 H new ATOM 1289 N LYS A 85 3.631 -7.068 4.186 1.00 0.00 N ATOM 1290 CA LYS A 85 4.251 -7.717 5.351 1.00 0.00 C ATOM 1291 C LYS A 85 3.204 -8.408 6.225 1.00 0.00 C ATOM 1292 O LYS A 85 2.018 -8.110 6.123 1.00 0.00 O ATOM 1293 CB LYS A 85 5.030 -6.680 6.185 1.00 0.00 C ATOM 1294 CG LYS A 85 6.199 -5.978 5.455 1.00 0.00 C ATOM 1295 CD LYS A 85 7.419 -6.890 5.225 1.00 0.00 C ATOM 1296 CE LYS A 85 8.543 -6.253 4.393 1.00 0.00 C ATOM 1297 NZ LYS A 85 9.147 -5.048 5.010 1.00 0.00 N ATOM 0 H LYS A 85 2.863 -6.445 4.436 1.00 0.00 H new ATOM 0 HA LYS A 85 4.941 -8.477 4.983 1.00 0.00 H new ATOM 0 HB2 LYS A 85 4.331 -5.918 6.530 1.00 0.00 H new ATOM 0 HB3 LYS A 85 5.424 -7.176 7.072 1.00 0.00 H new ATOM 0 HG2 LYS A 85 5.846 -5.608 4.492 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.510 -5.109 6.036 1.00 0.00 H new ATOM 0 HD2 LYS A 85 7.824 -7.185 6.193 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.087 -7.801 4.727 1.00 0.00 H new ATOM 0 HE2 LYS A 85 9.325 -6.995 4.231 1.00 0.00 H new ATOM 0 HE3 LYS A 85 8.148 -5.986 3.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 9.895 -4.678 4.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 8.415 -4.321 5.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 9.555 -5.298 5.933 1.00 0.00 H new ATOM 1311 N ASN A 86 3.650 -9.275 7.136 1.00 0.00 N ATOM 1312 CA ASN A 86 2.846 -10.056 8.082 1.00 0.00 C ATOM 1313 C ASN A 86 1.664 -10.738 7.391 1.00 0.00 C ATOM 1314 O ASN A 86 0.496 -10.434 7.658 1.00 0.00 O ATOM 1315 CB ASN A 86 2.348 -9.199 9.251 1.00 0.00 C ATOM 1316 CG ASN A 86 3.426 -8.767 10.216 1.00 0.00 C ATOM 1317 OD1 ASN A 86 4.241 -9.562 10.677 1.00 0.00 O ATOM 1318 ND2 ASN A 86 3.453 -7.499 10.559 1.00 0.00 N ATOM 0 H ASN A 86 4.647 -9.464 7.241 1.00 0.00 H new ATOM 0 HA ASN A 86 3.503 -10.828 8.481 1.00 0.00 H new ATOM 0 HB2 ASN A 86 1.859 -8.311 8.851 1.00 0.00 H new ATOM 0 HB3 ASN A 86 1.591 -9.760 9.799 1.00 0.00 H new ATOM 0 HD21 ASN A 86 4.157 -7.163 11.216 1.00 0.00 H new ATOM 0 HD22 ASN A 86 2.770 -6.850 10.168 1.00 0.00 H new ATOM 1325 N ALA A 87 1.951 -11.652 6.470 1.00 0.00 N ATOM 1326 CA ALA A 87 0.910 -12.428 5.817 1.00 0.00 C ATOM 1327 C ALA A 87 0.501 -13.606 6.703 1.00 0.00 C ATOM 1328 O ALA A 87 1.359 -14.371 7.143 1.00 0.00 O ATOM 1329 CB ALA A 87 1.422 -12.911 4.470 1.00 0.00 C ATOM 0 H ALA A 87 2.898 -11.872 6.161 1.00 0.00 H new ATOM 0 HA ALA A 87 0.029 -11.807 5.658 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.646 -13.494 3.974 1.00 0.00 H new ATOM 0 HB2 ALA A 87 1.683 -12.053 3.851 1.00 0.00 H new ATOM 0 HB3 ALA A 87 2.305 -13.533 4.618 1.00 0.00 H new ATOM 1335 N LYS A 88 -0.808 -13.762 6.925 1.00 0.00 N ATOM 1336 CA LYS A 88 -1.395 -14.925 7.593 1.00 0.00 C ATOM 1337 C LYS A 88 -1.467 -16.095 6.617 1.00 0.00 C ATOM 1338 O LYS A 88 -0.413 -16.623 6.275 1.00 0.00 O ATOM 1339 CB LYS A 88 -2.723 -14.545 8.275 1.00 0.00 C ATOM 1340 CG LYS A 88 -2.551 -13.913 9.665 1.00 0.00 C ATOM 1341 CD LYS A 88 -1.760 -12.607 9.754 1.00 0.00 C ATOM 1342 CE LYS A 88 -2.206 -11.892 11.035 1.00 0.00 C ATOM 1343 NZ LYS A 88 -1.451 -10.655 11.289 1.00 0.00 N ATOM 0 H LYS A 88 -1.501 -13.070 6.640 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.760 -15.268 8.410 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.263 -13.848 7.634 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -3.341 -15.438 8.367 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -3.544 -13.734 10.078 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.065 -14.645 10.310 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.689 -12.807 9.778 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -1.948 -11.983 8.880 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -3.268 -11.656 10.963 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -2.086 -12.566 11.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -1.793 -10.213 12.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -0.440 -10.879 11.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -1.585 -9.997 10.495 1.00 0.00 H new ATOM 1357 N GLY A 89 -2.646 -16.461 6.114 1.00 0.00 N ATOM 1358 CA GLY A 89 -2.846 -17.588 5.202 1.00 0.00 C ATOM 1359 C GLY A 89 -2.017 -17.545 3.909 1.00 0.00 C ATOM 1360 O GLY A 89 -1.913 -18.564 3.231 1.00 0.00 O ATOM 0 H GLY A 89 -3.512 -15.969 6.335 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.611 -18.510 5.734 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.902 -17.635 4.935 1.00 0.00 H new ATOM 1364 N LEU A 90 -1.411 -16.404 3.553 1.00 0.00 N ATOM 1365 CA LEU A 90 -0.514 -16.300 2.397 1.00 0.00 C ATOM 1366 C LEU A 90 0.957 -16.472 2.783 1.00 0.00 C ATOM 1367 O LEU A 90 1.766 -16.328 1.887 1.00 0.00 O ATOM 1368 CB LEU A 90 -0.634 -14.941 1.666 1.00 0.00 C ATOM 1369 CG LEU A 90 -2.027 -14.536 1.178 1.00 0.00 C ATOM 1370 CD1 LEU A 90 -2.050 -13.015 0.984 1.00 0.00 C ATOM 1371 CD2 LEU A 90 -2.355 -15.255 -0.122 1.00 0.00 C ATOM 0 H LEU A 90 -1.530 -15.527 4.060 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.830 -17.108 1.737 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.270 -14.162 2.336 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.035 -14.959 0.805 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.781 -14.819 1.913 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -3.036 -12.707 0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -1.830 -12.524 1.932 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -1.300 -12.731 0.246 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.348 -14.960 -0.460 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.619 -14.989 -0.881 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.333 -16.332 0.043 1.00 0.00 H new ATOM 1383 N SER A 91 1.335 -16.639 4.055 1.00 0.00 N ATOM 1384 CA SER A 91 2.685 -16.810 4.624 1.00 0.00 C ATOM 1385 C SER A 91 3.896 -16.374 3.769 1.00 0.00 C ATOM 1386 O SER A 91 4.844 -17.140 3.598 1.00 0.00 O ATOM 1387 CB SER A 91 2.852 -18.268 5.066 1.00 0.00 C ATOM 1388 OG SER A 91 1.880 -18.643 6.021 1.00 0.00 O ATOM 0 H SER A 91 0.631 -16.661 4.793 1.00 0.00 H new ATOM 0 HA SER A 91 2.714 -16.104 5.454 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.778 -18.922 4.197 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.848 -18.408 5.487 1.00 0.00 H new ATOM 0 HG SER A 91 1.257 -17.900 6.163 1.00 0.00 H new ATOM 1394 N ASN A 92 3.921 -15.137 3.264 1.00 0.00 N ATOM 1395 CA ASN A 92 4.979 -14.616 2.383 1.00 0.00 C ATOM 1396 C ASN A 92 5.135 -15.396 1.062 1.00 0.00 C ATOM 1397 O ASN A 92 6.110 -15.206 0.343 1.00 0.00 O ATOM 1398 CB ASN A 92 6.308 -14.450 3.146 1.00 0.00 C ATOM 1399 CG ASN A 92 6.997 -13.160 2.742 1.00 0.00 C ATOM 1400 OD1 ASN A 92 7.870 -13.136 1.885 1.00 0.00 O ATOM 1401 ND2 ASN A 92 6.590 -12.035 3.313 1.00 0.00 N ATOM 0 H ASN A 92 3.191 -14.452 3.459 1.00 0.00 H new ATOM 0 HA ASN A 92 4.656 -13.623 2.070 1.00 0.00 H new ATOM 0 HB2 ASN A 92 6.120 -14.447 4.220 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.961 -15.298 2.939 1.00 0.00 H new ATOM 0 HD21 ASN A 92 7.005 -11.145 3.038 1.00 0.00 H new ATOM 0 HD22 ASN A 92 5.862 -12.060 4.027 1.00 0.00 H new ATOM 1408 N GLU A 93 4.176 -16.258 0.737 1.00 0.00 N ATOM 1409 CA GLU A 93 4.011 -17.063 -0.458 1.00 0.00 C ATOM 1410 C GLU A 93 3.445 -16.158 -1.570 1.00 0.00 C ATOM 1411 O GLU A 93 4.136 -15.263 -2.063 1.00 0.00 O ATOM 1412 CB GLU A 93 3.081 -18.276 -0.154 1.00 0.00 C ATOM 1413 CG GLU A 93 3.360 -19.092 1.121 1.00 0.00 C ATOM 1414 CD GLU A 93 2.251 -20.120 1.391 1.00 0.00 C ATOM 1415 OE1 GLU A 93 1.715 -20.698 0.420 1.00 0.00 O ATOM 1416 OE2 GLU A 93 1.875 -20.347 2.561 1.00 0.00 O ATOM 0 H GLU A 93 3.407 -16.424 1.386 1.00 0.00 H new ATOM 0 HA GLU A 93 4.965 -17.471 -0.792 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.057 -17.907 -0.098 1.00 0.00 H new ATOM 0 HB3 GLU A 93 3.129 -18.956 -1.004 1.00 0.00 H new ATOM 0 HG2 GLU A 93 4.316 -19.606 1.022 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.447 -18.418 1.973 1.00 0.00 H new ATOM 1423 N SER A 94 2.153 -16.298 -1.893 1.00 0.00 N ATOM 1424 CA SER A 94 1.375 -15.547 -2.876 1.00 0.00 C ATOM 1425 C SER A 94 1.221 -14.054 -2.557 1.00 0.00 C ATOM 1426 O SER A 94 0.584 -13.301 -3.286 1.00 0.00 O ATOM 1427 CB SER A 94 0.052 -16.281 -3.107 1.00 0.00 C ATOM 1428 OG SER A 94 0.372 -17.577 -3.594 1.00 0.00 O ATOM 0 H SER A 94 1.579 -17.003 -1.430 1.00 0.00 H new ATOM 0 HA SER A 94 1.931 -15.521 -3.813 1.00 0.00 H new ATOM 0 HB2 SER A 94 -0.518 -16.348 -2.180 1.00 0.00 H new ATOM 0 HB3 SER A 94 -0.567 -15.742 -3.824 1.00 0.00 H new ATOM 0 HG SER A 94 -0.453 -18.089 -3.729 1.00 0.00 H new ATOM 1434 N VAL A 95 1.886 -13.582 -1.512 1.00 0.00 N ATOM 1435 CA VAL A 95 2.184 -12.177 -1.294 1.00 0.00 C ATOM 1436 C VAL A 95 3.004 -11.654 -2.467 1.00 0.00 C ATOM 1437 O VAL A 95 2.705 -10.573 -2.965 1.00 0.00 O ATOM 1438 CB VAL A 95 2.981 -12.034 0.012 1.00 0.00 C ATOM 1439 CG1 VAL A 95 3.097 -10.569 0.444 1.00 0.00 C ATOM 1440 CG2 VAL A 95 2.318 -12.868 1.107 1.00 0.00 C ATOM 0 H VAL A 95 2.243 -14.186 -0.771 1.00 0.00 H new ATOM 0 HA VAL A 95 1.261 -11.602 -1.218 1.00 0.00 H new ATOM 0 HB VAL A 95 3.993 -12.400 -0.160 1.00 0.00 H new ATOM 0 HG11 VAL A 95 3.667 -10.507 1.371 1.00 0.00 H new ATOM 0 HG12 VAL A 95 3.606 -10.000 -0.334 1.00 0.00 H new ATOM 0 HG13 VAL A 95 2.101 -10.156 0.602 1.00 0.00 H new ATOM 0 HG21 VAL A 95 2.883 -12.767 2.034 1.00 0.00 H new ATOM 0 HG22 VAL A 95 1.298 -12.518 1.264 1.00 0.00 H new ATOM 0 HG23 VAL A 95 2.300 -13.915 0.806 1.00 0.00 H new ATOM 1450 N ASN A 96 3.996 -12.433 -2.921 1.00 0.00 N ATOM 1451 CA ASN A 96 4.863 -12.040 -4.023 1.00 0.00 C ATOM 1452 C ASN A 96 4.028 -11.786 -5.270 1.00 0.00 C ATOM 1453 O ASN A 96 4.337 -10.853 -6.008 1.00 0.00 O ATOM 1454 CB ASN A 96 5.911 -13.116 -4.343 1.00 0.00 C ATOM 1455 CG ASN A 96 6.958 -13.286 -3.254 1.00 0.00 C ATOM 1456 OD1 ASN A 96 7.856 -12.477 -3.067 1.00 0.00 O ATOM 1457 ND2 ASN A 96 6.844 -14.321 -2.442 1.00 0.00 N ATOM 0 H ASN A 96 4.214 -13.350 -2.531 1.00 0.00 H new ATOM 0 HA ASN A 96 5.384 -11.133 -3.717 1.00 0.00 H new ATOM 0 HB2 ASN A 96 5.405 -14.069 -4.502 1.00 0.00 H new ATOM 0 HB3 ASN A 96 6.409 -12.860 -5.278 1.00 0.00 H new ATOM 0 HD21 ASN A 96 7.500 -14.438 -1.670 1.00 0.00 H new ATOM 0 HD22 ASN A 96 6.100 -15.003 -2.587 1.00 0.00 H new ATOM 1464 N LEU A 97 2.970 -12.589 -5.485 1.00 0.00 N ATOM 1465 CA LEU A 97 2.087 -12.444 -6.628 1.00 0.00 C ATOM 1466 C LEU A 97 1.390 -11.105 -6.534 1.00 0.00 C ATOM 1467 O LEU A 97 1.509 -10.272 -7.430 1.00 0.00 O ATOM 1468 CB LEU A 97 1.073 -13.589 -6.602 1.00 0.00 C ATOM 1469 CG LEU A 97 0.041 -13.553 -7.737 1.00 0.00 C ATOM 1470 CD1 LEU A 97 -0.618 -14.929 -7.689 1.00 0.00 C ATOM 1471 CD2 LEU A 97 -1.072 -12.517 -7.555 1.00 0.00 C ATOM 0 H LEU A 97 2.713 -13.355 -4.862 1.00 0.00 H new ATOM 0 HA LEU A 97 2.644 -12.484 -7.564 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.612 -14.535 -6.648 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.546 -13.569 -5.648 1.00 0.00 H new ATOM 0 HG LEU A 97 0.548 -13.294 -8.666 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -1.375 -14.997 -8.470 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.137 -15.700 -7.847 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.086 -15.074 -6.716 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.754 -12.563 -8.404 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -1.620 -12.729 -6.637 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.635 -11.520 -7.494 1.00 0.00 H new ATOM 1483 N LEU A 98 0.645 -10.911 -5.444 1.00 0.00 N ATOM 1484 CA LEU A 98 -0.193 -9.743 -5.282 1.00 0.00 C ATOM 1485 C LEU A 98 0.663 -8.491 -5.389 1.00 0.00 C ATOM 1486 O LEU A 98 0.246 -7.523 -6.007 1.00 0.00 O ATOM 1487 CB LEU A 98 -0.897 -9.840 -3.917 1.00 0.00 C ATOM 1488 CG LEU A 98 -1.635 -8.559 -3.500 1.00 0.00 C ATOM 1489 CD1 LEU A 98 -2.748 -8.150 -4.466 1.00 0.00 C ATOM 1490 CD2 LEU A 98 -2.214 -8.719 -2.092 1.00 0.00 C ATOM 0 H LEU A 98 0.612 -11.561 -4.658 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.952 -9.691 -6.063 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.610 -10.664 -3.945 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.157 -10.085 -3.155 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.892 -7.762 -3.520 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.224 -7.238 -4.107 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.325 -7.974 -5.455 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.489 -8.947 -4.525 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -2.735 -7.805 -1.807 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.914 -9.555 -2.079 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -1.406 -8.912 -1.386 1.00 0.00 H new ATOM 1502 N LYS A 99 1.873 -8.500 -4.829 1.00 0.00 N ATOM 1503 CA LYS A 99 2.746 -7.346 -4.915 1.00 0.00 C ATOM 1504 C LYS A 99 3.019 -6.961 -6.367 1.00 0.00 C ATOM 1505 O LYS A 99 2.815 -5.803 -6.720 1.00 0.00 O ATOM 1506 CB LYS A 99 4.021 -7.588 -4.107 1.00 0.00 C ATOM 1507 CG LYS A 99 4.452 -6.238 -3.543 1.00 0.00 C ATOM 1508 CD LYS A 99 5.641 -6.343 -2.599 1.00 0.00 C ATOM 1509 CE LYS A 99 6.878 -6.637 -3.437 1.00 0.00 C ATOM 1510 NZ LYS A 99 8.108 -6.002 -2.931 1.00 0.00 N ATOM 0 H LYS A 99 2.262 -9.291 -4.316 1.00 0.00 H new ATOM 0 HA LYS A 99 2.244 -6.487 -4.471 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.839 -8.302 -3.303 1.00 0.00 H new ATOM 0 HB3 LYS A 99 4.803 -8.010 -4.738 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.706 -5.570 -4.366 1.00 0.00 H new ATOM 0 HG3 LYS A 99 3.613 -5.786 -3.014 1.00 0.00 H new ATOM 0 HD2 LYS A 99 5.769 -5.415 -2.042 1.00 0.00 H new ATOM 0 HD3 LYS A 99 5.479 -7.134 -1.867 1.00 0.00 H new ATOM 0 HE2 LYS A 99 7.029 -7.716 -3.478 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.701 -6.300 -4.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.906 -6.247 -3.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 7.985 -4.969 -2.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.302 -6.341 -1.967 1.00 0.00 H new ATOM 1524 N SER A 100 3.396 -7.917 -7.211 1.00 0.00 N ATOM 1525 CA SER A 100 3.571 -7.706 -8.641 1.00 0.00 C ATOM 1526 C SER A 100 2.289 -7.172 -9.292 1.00 0.00 C ATOM 1527 O SER A 100 2.333 -6.248 -10.104 1.00 0.00 O ATOM 1528 CB SER A 100 4.021 -9.034 -9.261 1.00 0.00 C ATOM 1529 OG SER A 100 5.240 -9.392 -8.636 1.00 0.00 O ATOM 0 H SER A 100 3.591 -8.873 -6.915 1.00 0.00 H new ATOM 0 HA SER A 100 4.331 -6.945 -8.817 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.267 -9.806 -9.107 1.00 0.00 H new ATOM 0 HB3 SER A 100 4.156 -8.931 -10.338 1.00 0.00 H new ATOM 0 HG SER A 100 5.052 -9.872 -7.803 1.00 0.00 H new ATOM 1535 N HIS A 101 1.129 -7.718 -8.925 1.00 0.00 N ATOM 1536 CA HIS A 101 -0.154 -7.317 -9.494 1.00 0.00 C ATOM 1537 C HIS A 101 -0.511 -5.873 -9.093 1.00 0.00 C ATOM 1538 O HIS A 101 -1.215 -5.183 -9.832 1.00 0.00 O ATOM 1539 CB HIS A 101 -1.223 -8.340 -9.070 1.00 0.00 C ATOM 1540 CG HIS A 101 -1.156 -9.656 -9.823 1.00 0.00 C ATOM 1541 ND1 HIS A 101 -0.033 -10.320 -10.245 1.00 0.00 N flip ATOM 1542 CD2 HIS A 101 -2.234 -10.456 -10.129 1.00 0.00 C flip ATOM 1543 CE1 HIS A 101 -0.431 -11.516 -10.854 1.00 0.00 C flip ATOM 1544 NE2 HIS A 101 -1.773 -11.556 -10.751 1.00 0.00 N flip ATOM 0 H HIS A 101 1.055 -8.453 -8.222 1.00 0.00 H new ATOM 0 HA HIS A 101 -0.098 -7.315 -10.583 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -1.117 -8.538 -8.003 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -2.209 -7.900 -9.216 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -3.269 -10.238 -9.908 1.00 0.00 H new ATOM 0 HE1 HIS A 101 0.208 -12.256 -11.313 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -2.359 -12.316 -11.097 1.00 0.00 H new ATOM 1552 N LEU A 102 -0.008 -5.396 -7.951 1.00 0.00 N ATOM 1553 CA LEU A 102 -0.142 -4.026 -7.458 1.00 0.00 C ATOM 1554 C LEU A 102 0.873 -3.101 -8.110 1.00 0.00 C ATOM 1555 O LEU A 102 0.521 -1.962 -8.403 1.00 0.00 O ATOM 1556 CB LEU A 102 -0.020 -4.010 -5.935 1.00 0.00 C ATOM 1557 CG LEU A 102 -1.141 -4.792 -5.239 1.00 0.00 C ATOM 1558 CD1 LEU A 102 -0.716 -5.042 -3.791 1.00 0.00 C ATOM 1559 CD2 LEU A 102 -2.489 -4.073 -5.340 1.00 0.00 C ATOM 0 H LEU A 102 0.530 -5.985 -7.315 1.00 0.00 H new ATOM 0 HA LEU A 102 -1.129 -3.652 -7.729 1.00 0.00 H new ATOM 0 HB2 LEU A 102 0.943 -4.432 -5.648 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.032 -2.978 -5.585 1.00 0.00 H new ATOM 0 HG LEU A 102 -1.291 -5.749 -5.739 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -1.498 -5.598 -3.273 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.209 -5.619 -3.778 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.556 -4.088 -3.289 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.254 -4.662 -4.834 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -2.415 -3.093 -4.869 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -2.759 -3.952 -6.389 1.00 0.00 H new ATOM 1571 N GLU A 103 2.096 -3.566 -8.358 1.00 0.00 N ATOM 1572 CA GLU A 103 3.101 -2.794 -9.088 1.00 0.00 C ATOM 1573 C GLU A 103 2.593 -2.470 -10.497 1.00 0.00 C ATOM 1574 O GLU A 103 2.804 -1.367 -10.999 1.00 0.00 O ATOM 1575 CB GLU A 103 4.426 -3.565 -9.177 1.00 0.00 C ATOM 1576 CG GLU A 103 5.263 -3.594 -7.888 1.00 0.00 C ATOM 1577 CD GLU A 103 6.566 -4.358 -8.155 1.00 0.00 C ATOM 1578 OE1 GLU A 103 7.460 -3.811 -8.853 1.00 0.00 O ATOM 1579 OE2 GLU A 103 6.673 -5.532 -7.745 1.00 0.00 O ATOM 0 H GLU A 103 2.418 -4.487 -8.059 1.00 0.00 H new ATOM 0 HA GLU A 103 3.278 -1.865 -8.545 1.00 0.00 H new ATOM 0 HB2 GLU A 103 4.210 -4.592 -9.472 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.029 -3.125 -9.971 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.483 -2.578 -7.559 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.703 -4.074 -7.086 1.00 0.00 H new ATOM 1586 N GLU A 104 1.897 -3.406 -11.142 1.00 0.00 N ATOM 1587 CA GLU A 104 1.374 -3.173 -12.481 1.00 0.00 C ATOM 1588 C GLU A 104 0.123 -2.294 -12.427 1.00 0.00 C ATOM 1589 O GLU A 104 -0.009 -1.362 -13.222 1.00 0.00 O ATOM 1590 CB GLU A 104 1.090 -4.526 -13.151 1.00 0.00 C ATOM 1591 CG GLU A 104 2.363 -5.322 -13.485 1.00 0.00 C ATOM 1592 CD GLU A 104 3.170 -4.671 -14.606 1.00 0.00 C ATOM 1593 OE1 GLU A 104 2.714 -4.772 -15.774 1.00 0.00 O ATOM 1594 OE2 GLU A 104 4.238 -4.080 -14.325 1.00 0.00 O ATOM 0 H GLU A 104 1.685 -4.327 -10.758 1.00 0.00 H new ATOM 0 HA GLU A 104 2.113 -2.638 -13.077 1.00 0.00 H new ATOM 0 HB2 GLU A 104 0.459 -5.123 -12.493 1.00 0.00 H new ATOM 0 HB3 GLU A 104 0.525 -4.357 -14.068 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.983 -5.404 -12.593 1.00 0.00 H new ATOM 0 HG3 GLU A 104 2.090 -6.336 -13.777 1.00 0.00 H new ATOM 1601 N LEU A 105 -0.756 -2.525 -11.445 1.00 0.00 N ATOM 1602 CA LEU A 105 -1.906 -1.666 -11.176 1.00 0.00 C ATOM 1603 C LEU A 105 -1.451 -0.229 -10.961 1.00 0.00 C ATOM 1604 O LEU A 105 -2.102 0.697 -11.432 1.00 0.00 O ATOM 1605 CB LEU A 105 -2.644 -2.178 -9.936 1.00 0.00 C ATOM 1606 CG LEU A 105 -3.855 -1.314 -9.557 1.00 0.00 C ATOM 1607 CD1 LEU A 105 -4.907 -1.330 -10.669 1.00 0.00 C ATOM 1608 CD2 LEU A 105 -4.435 -1.841 -8.248 1.00 0.00 C ATOM 0 H LEU A 105 -0.685 -3.321 -10.811 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.580 -1.690 -12.032 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -2.976 -3.201 -10.115 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -1.951 -2.210 -9.095 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.541 -0.278 -9.427 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -5.755 -0.711 -10.377 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.471 -0.938 -11.588 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -5.245 -2.353 -10.835 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.297 -1.238 -7.963 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.744 -2.878 -8.379 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.678 -1.784 -7.466 1.00 0.00 H new ATOM 1620 N ALA A 106 -0.328 -0.014 -10.284 1.00 0.00 N ATOM 1621 CA ALA A 106 0.204 1.310 -10.088 1.00 0.00 C ATOM 1622 C ALA A 106 0.455 1.954 -11.454 1.00 0.00 C ATOM 1623 O ALA A 106 0.011 3.076 -11.673 1.00 0.00 O ATOM 1624 CB ALA A 106 1.456 1.209 -9.219 1.00 0.00 C ATOM 0 H ALA A 106 0.230 -0.756 -9.861 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.499 1.956 -9.562 1.00 0.00 H new ATOM 0 HB1 ALA A 106 1.871 2.205 -9.062 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.196 0.768 -8.257 1.00 0.00 H new ATOM 0 HB3 ALA A 106 2.196 0.583 -9.718 1.00 0.00 H new ATOM 1630 N LYS A 107 1.093 1.252 -12.398 1.00 0.00 N ATOM 1631 CA LYS A 107 1.410 1.784 -13.733 1.00 0.00 C ATOM 1632 C LYS A 107 0.161 2.034 -14.577 1.00 0.00 C ATOM 1633 O LYS A 107 0.187 2.865 -15.481 1.00 0.00 O ATOM 1634 CB LYS A 107 2.332 0.825 -14.483 1.00 0.00 C ATOM 1635 CG LYS A 107 3.665 0.654 -13.744 1.00 0.00 C ATOM 1636 CD LYS A 107 4.462 -0.461 -14.407 1.00 0.00 C ATOM 1637 CE LYS A 107 5.561 -0.916 -13.449 1.00 0.00 C ATOM 1638 NZ LYS A 107 6.191 -2.154 -13.928 1.00 0.00 N ATOM 0 H LYS A 107 1.407 0.292 -12.258 1.00 0.00 H new ATOM 0 HA LYS A 107 1.907 2.741 -13.575 1.00 0.00 H new ATOM 0 HB2 LYS A 107 1.845 -0.144 -14.591 1.00 0.00 H new ATOM 0 HB3 LYS A 107 2.515 1.203 -15.489 1.00 0.00 H new ATOM 0 HG2 LYS A 107 4.230 1.586 -13.768 1.00 0.00 H new ATOM 0 HG3 LYS A 107 3.486 0.416 -12.695 1.00 0.00 H new ATOM 0 HD2 LYS A 107 3.808 -1.297 -14.655 1.00 0.00 H new ATOM 0 HD3 LYS A 107 4.898 -0.109 -15.342 1.00 0.00 H new ATOM 0 HE2 LYS A 107 6.313 -0.133 -13.353 1.00 0.00 H new ATOM 0 HE3 LYS A 107 5.141 -1.077 -12.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 6.968 -2.418 -13.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 5.485 -2.918 -13.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 6.566 -2.004 -14.886 1.00 0.00 H new ATOM 1652 N LYS A 108 -0.944 1.338 -14.318 1.00 0.00 N ATOM 1653 CA LYS A 108 -2.226 1.630 -14.895 1.00 0.00 C ATOM 1654 C LYS A 108 -2.733 2.939 -14.313 1.00 0.00 C ATOM 1655 O LYS A 108 -3.130 3.821 -15.065 1.00 0.00 O ATOM 1656 CB LYS A 108 -3.131 0.432 -14.594 1.00 0.00 C ATOM 1657 CG LYS A 108 -4.591 0.818 -14.691 1.00 0.00 C ATOM 1658 CD LYS A 108 -5.496 -0.406 -14.683 1.00 0.00 C ATOM 1659 CE LYS A 108 -6.868 0.013 -14.164 1.00 0.00 C ATOM 1660 NZ LYS A 108 -7.943 -0.802 -14.745 1.00 0.00 N ATOM 0 H LYS A 108 -0.958 0.539 -13.684 1.00 0.00 H new ATOM 0 HA LYS A 108 -2.191 1.767 -15.976 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -2.917 -0.375 -15.295 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -2.917 0.052 -13.595 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -4.852 1.470 -13.857 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -4.757 1.388 -15.605 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -5.581 -0.821 -15.687 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -5.073 -1.186 -14.050 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -6.889 -0.078 -13.078 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -7.040 1.063 -14.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -8.860 -0.487 -14.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -7.939 -0.695 -15.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -7.792 -1.801 -14.499 1.00 0.00 H new ATOM 1674 N GLN A 109 -2.761 3.046 -12.987 1.00 0.00 N ATOM 1675 CA GLN A 109 -3.484 4.114 -12.317 1.00 0.00 C ATOM 1676 C GLN A 109 -2.671 5.425 -12.349 1.00 0.00 C ATOM 1677 O GLN A 109 -3.196 6.511 -12.084 1.00 0.00 O ATOM 1678 CB GLN A 109 -3.802 3.693 -10.869 1.00 0.00 C ATOM 1679 CG GLN A 109 -4.739 2.475 -10.721 1.00 0.00 C ATOM 1680 CD GLN A 109 -6.173 2.698 -11.204 1.00 0.00 C ATOM 1681 OE1 GLN A 109 -6.685 1.929 -12.005 1.00 0.00 O ATOM 1682 NE2 GLN A 109 -6.885 3.694 -10.708 1.00 0.00 N ATOM 0 H GLN A 109 -2.287 2.400 -12.356 1.00 0.00 H new ATOM 0 HA GLN A 109 -4.422 4.296 -12.842 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -2.864 3.472 -10.359 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -4.253 4.541 -10.353 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -4.312 1.638 -11.274 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -4.767 2.183 -9.671 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -6.463 4.339 -10.039 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -7.856 3.818 -10.994 1.00 0.00 H new ATOM 1691 N CYS A 110 -1.376 5.311 -12.656 1.00 0.00 N ATOM 1692 CA CYS A 110 -0.359 6.341 -12.641 1.00 0.00 C ATOM 1693 C CYS A 110 -0.842 7.609 -13.333 1.00 0.00 C ATOM 1694 O CYS A 110 -1.377 7.565 -14.443 1.00 0.00 O ATOM 1695 CB CYS A 110 0.901 5.771 -13.290 1.00 0.00 C ATOM 1696 SG CYS A 110 2.270 6.950 -13.141 1.00 0.00 S ATOM 0 H CYS A 110 -0.989 4.413 -12.945 1.00 0.00 H new ATOM 0 HA CYS A 110 -0.134 6.632 -11.615 1.00 0.00 H new ATOM 0 HB2 CYS A 110 1.170 4.828 -12.813 1.00 0.00 H new ATOM 0 HB3 CYS A 110 0.711 5.554 -14.341 1.00 0.00 H new ATOM 0 HG CYS A 110 3.335 6.451 -13.695 1.00 0.00 H new ATOM 1702 N GLY A 111 -0.666 8.740 -12.657 1.00 0.00 N ATOM 1703 CA GLY A 111 -1.224 10.018 -13.051 1.00 0.00 C ATOM 1704 C GLY A 111 -2.217 10.513 -12.005 1.00 0.00 C ATOM 1705 O GLY A 111 -2.307 11.726 -11.822 1.00 0.00 O ATOM 0 H GLY A 111 -0.117 8.789 -11.799 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -0.424 10.748 -13.175 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -1.721 9.922 -14.016 1.00 0.00 H new ATOM 1709 N GLU A 112 -2.889 9.634 -11.254 1.00 0.00 N ATOM 1710 CA GLU A 112 -3.773 10.045 -10.167 1.00 0.00 C ATOM 1711 C GLU A 112 -3.548 9.182 -8.925 1.00 0.00 C ATOM 1712 O GLU A 112 -2.804 8.197 -8.943 1.00 0.00 O ATOM 1713 CB GLU A 112 -5.239 10.087 -10.638 1.00 0.00 C ATOM 1714 CG GLU A 112 -5.962 8.733 -10.632 1.00 0.00 C ATOM 1715 CD GLU A 112 -7.346 8.809 -11.285 1.00 0.00 C ATOM 1716 OE1 GLU A 112 -8.152 9.686 -10.904 1.00 0.00 O ATOM 1717 OE2 GLU A 112 -7.648 7.940 -12.146 1.00 0.00 O ATOM 0 H GLU A 112 -2.834 8.624 -11.384 1.00 0.00 H new ATOM 0 HA GLU A 112 -3.525 11.064 -9.871 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -5.790 10.779 -10.001 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -5.268 10.493 -11.649 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -5.354 7.997 -11.159 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -6.066 8.384 -9.605 1.00 0.00 H new ATOM 1724 N VAL A 113 -4.167 9.597 -7.824 1.00 0.00 N ATOM 1725 CA VAL A 113 -4.087 8.923 -6.539 1.00 0.00 C ATOM 1726 C VAL A 113 -4.702 7.529 -6.667 1.00 0.00 C ATOM 1727 O VAL A 113 -5.810 7.363 -7.176 1.00 0.00 O ATOM 1728 CB VAL A 113 -4.730 9.793 -5.438 1.00 0.00 C ATOM 1729 CG1 VAL A 113 -3.862 11.048 -5.264 1.00 0.00 C ATOM 1730 CG2 VAL A 113 -6.181 10.198 -5.742 1.00 0.00 C ATOM 0 H VAL A 113 -4.752 10.432 -7.804 1.00 0.00 H new ATOM 0 HA VAL A 113 -3.049 8.786 -6.236 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.773 9.201 -4.524 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -4.293 11.684 -4.490 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -2.853 10.755 -4.973 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -3.823 11.597 -6.205 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -6.567 10.808 -4.925 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -6.212 10.771 -6.669 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -6.794 9.303 -5.848 1.00 0.00 H new ATOM 1740 N MET A 114 -3.957 6.517 -6.230 1.00 0.00 N ATOM 1741 CA MET A 114 -4.212 5.117 -6.557 1.00 0.00 C ATOM 1742 C MET A 114 -4.252 4.220 -5.323 1.00 0.00 C ATOM 1743 O MET A 114 -4.694 3.087 -5.448 1.00 0.00 O ATOM 1744 CB MET A 114 -3.142 4.630 -7.545 1.00 0.00 C ATOM 1745 CG MET A 114 -1.736 4.747 -6.950 1.00 0.00 C ATOM 1746 SD MET A 114 -0.384 4.117 -7.962 1.00 0.00 S ATOM 1747 CE MET A 114 -0.322 5.397 -9.239 1.00 0.00 C ATOM 0 H MET A 114 -3.144 6.649 -5.628 1.00 0.00 H new ATOM 0 HA MET A 114 -5.200 5.054 -7.012 1.00 0.00 H new ATOM 0 HB2 MET A 114 -3.339 3.592 -7.815 1.00 0.00 H new ATOM 0 HB3 MET A 114 -3.200 5.215 -8.463 1.00 0.00 H new ATOM 0 HG2 MET A 114 -1.542 5.798 -6.736 1.00 0.00 H new ATOM 0 HG3 MET A 114 -1.723 4.220 -5.996 1.00 0.00 H new ATOM 0 HE1 MET A 114 0.501 5.189 -9.923 1.00 0.00 H new ATOM 0 HE2 MET A 114 -1.261 5.404 -9.793 1.00 0.00 H new ATOM 0 HE3 MET A 114 -0.169 6.370 -8.772 1.00 0.00 H new ATOM 1757 N ILE A 115 -3.817 4.688 -4.143 1.00 0.00 N ATOM 1758 CA ILE A 115 -3.657 3.858 -2.938 1.00 0.00 C ATOM 1759 C ILE A 115 -4.951 3.104 -2.631 1.00 0.00 C ATOM 1760 O ILE A 115 -4.923 1.928 -2.286 1.00 0.00 O ATOM 1761 CB ILE A 115 -3.247 4.730 -1.724 1.00 0.00 C ATOM 1762 CG1 ILE A 115 -1.899 5.437 -1.952 1.00 0.00 C ATOM 1763 CG2 ILE A 115 -3.140 3.900 -0.428 1.00 0.00 C ATOM 1764 CD1 ILE A 115 -1.828 6.814 -1.271 1.00 0.00 C ATOM 0 H ILE A 115 -3.563 5.665 -3.997 1.00 0.00 H new ATOM 0 HA ILE A 115 -2.866 3.133 -3.127 1.00 0.00 H new ATOM 0 HB ILE A 115 -4.037 5.474 -1.618 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -1.094 4.807 -1.573 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -1.733 5.557 -3.023 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -2.850 4.550 0.398 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -4.105 3.442 -0.208 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -2.389 3.120 -0.556 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -0.855 7.266 -1.465 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -2.613 7.457 -1.668 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -1.965 6.696 -0.196 1.00 0.00 H new ATOM 1776 N PHE A 116 -6.076 3.798 -2.775 1.00 0.00 N ATOM 1777 CA PHE A 116 -7.416 3.249 -2.611 1.00 0.00 C ATOM 1778 C PHE A 116 -7.674 2.060 -3.539 1.00 0.00 C ATOM 1779 O PHE A 116 -8.193 1.047 -3.081 1.00 0.00 O ATOM 1780 CB PHE A 116 -8.443 4.359 -2.846 1.00 0.00 C ATOM 1781 CG PHE A 116 -8.613 5.265 -1.646 1.00 0.00 C ATOM 1782 CD1 PHE A 116 -9.469 4.847 -0.615 1.00 0.00 C ATOM 1783 CD2 PHE A 116 -7.924 6.490 -1.530 1.00 0.00 C ATOM 1784 CE1 PHE A 116 -9.653 5.653 0.511 1.00 0.00 C ATOM 1785 CE2 PHE A 116 -8.138 7.313 -0.407 1.00 0.00 C ATOM 1786 CZ PHE A 116 -9.010 6.897 0.615 1.00 0.00 C ATOM 0 H PHE A 116 -6.079 4.789 -3.017 1.00 0.00 H new ATOM 0 HA PHE A 116 -7.509 2.870 -1.593 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -8.136 4.955 -3.705 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -9.405 3.911 -3.096 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -9.986 3.902 -0.692 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -7.233 6.797 -2.301 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -10.297 5.316 1.310 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -7.632 8.264 -0.331 1.00 0.00 H new ATOM 0 HZ PHE A 116 -9.184 7.529 1.473 1.00 0.00 H new ATOM 1796 N GLU A 117 -7.292 2.153 -4.817 1.00 0.00 N ATOM 1797 CA GLU A 117 -7.367 1.043 -5.763 1.00 0.00 C ATOM 1798 C GLU A 117 -6.479 -0.091 -5.252 1.00 0.00 C ATOM 1799 O GLU A 117 -6.911 -1.238 -5.202 1.00 0.00 O ATOM 1800 CB GLU A 117 -6.887 1.489 -7.160 1.00 0.00 C ATOM 1801 CG GLU A 117 -7.654 0.906 -8.357 1.00 0.00 C ATOM 1802 CD GLU A 117 -8.247 -0.504 -8.195 1.00 0.00 C ATOM 1803 OE1 GLU A 117 -7.587 -1.504 -8.552 1.00 0.00 O ATOM 1804 OE2 GLU A 117 -9.438 -0.601 -7.821 1.00 0.00 O ATOM 0 H GLU A 117 -6.919 3.011 -5.224 1.00 0.00 H new ATOM 0 HA GLU A 117 -8.400 0.707 -5.847 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -6.946 2.576 -7.212 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -5.835 1.221 -7.263 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -8.468 1.588 -8.601 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -6.981 0.893 -9.215 1.00 0.00 H new ATOM 1811 N LEU A 118 -5.247 0.234 -4.829 1.00 0.00 N ATOM 1812 CA LEU A 118 -4.279 -0.757 -4.372 1.00 0.00 C ATOM 1813 C LEU A 118 -4.903 -1.560 -3.223 1.00 0.00 C ATOM 1814 O LEU A 118 -4.931 -2.793 -3.265 1.00 0.00 O ATOM 1815 CB LEU A 118 -2.900 -0.154 -3.983 1.00 0.00 C ATOM 1816 CG LEU A 118 -2.252 0.893 -4.911 1.00 0.00 C ATOM 1817 CD1 LEU A 118 -0.770 1.071 -4.560 1.00 0.00 C ATOM 1818 CD2 LEU A 118 -2.350 0.592 -6.403 1.00 0.00 C ATOM 0 H LEU A 118 -4.901 1.193 -4.797 1.00 0.00 H new ATOM 0 HA LEU A 118 -4.056 -1.420 -5.208 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -3.006 0.300 -2.998 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -2.197 -0.981 -3.879 1.00 0.00 H new ATOM 0 HG LEU A 118 -2.828 1.802 -4.735 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -0.326 1.813 -5.223 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -0.679 1.407 -3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -0.251 0.120 -4.680 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -1.864 1.388 -6.967 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -1.857 -0.357 -6.616 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -3.399 0.529 -6.693 1.00 0.00 H new ATOM 1830 N ALA A 119 -5.409 -0.868 -2.201 1.00 0.00 N ATOM 1831 CA ALA A 119 -6.121 -1.439 -1.067 1.00 0.00 C ATOM 1832 C ALA A 119 -7.361 -2.254 -1.469 1.00 0.00 C ATOM 1833 O ALA A 119 -7.535 -3.373 -0.985 1.00 0.00 O ATOM 1834 CB ALA A 119 -6.501 -0.319 -0.090 1.00 0.00 C ATOM 0 H ALA A 119 -5.328 0.147 -2.143 1.00 0.00 H new ATOM 0 HA ALA A 119 -5.446 -2.146 -0.585 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -7.034 -0.744 0.760 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -5.598 0.180 0.261 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -7.141 0.403 -0.596 1.00 0.00 H new ATOM 1840 N HIS A 120 -8.234 -1.728 -2.332 1.00 0.00 N ATOM 1841 CA HIS A 120 -9.371 -2.464 -2.883 1.00 0.00 C ATOM 1842 C HIS A 120 -8.900 -3.789 -3.489 1.00 0.00 C ATOM 1843 O HIS A 120 -9.430 -4.844 -3.143 1.00 0.00 O ATOM 1844 CB HIS A 120 -10.120 -1.604 -3.918 1.00 0.00 C ATOM 1845 CG HIS A 120 -11.374 -0.965 -3.372 1.00 0.00 C ATOM 1846 ND1 HIS A 120 -12.657 -1.338 -3.695 1.00 0.00 N ATOM 1847 CD2 HIS A 120 -11.463 0.067 -2.475 1.00 0.00 C ATOM 1848 CE1 HIS A 120 -13.502 -0.561 -3.005 1.00 0.00 C ATOM 1849 NE2 HIS A 120 -12.828 0.336 -2.259 1.00 0.00 N ATOM 0 H HIS A 120 -8.169 -0.768 -2.671 1.00 0.00 H new ATOM 0 HA HIS A 120 -10.069 -2.693 -2.078 1.00 0.00 H new ATOM 0 HB2 HIS A 120 -9.452 -0.823 -4.282 1.00 0.00 H new ATOM 0 HB3 HIS A 120 -10.381 -2.225 -4.775 1.00 0.00 H new ATOM 0 HD2 HIS A 120 -10.633 0.583 -2.015 1.00 0.00 H new ATOM 0 HE1 HIS A 120 -14.578 -0.642 -3.042 1.00 0.00 H new ATOM 0 HE2 HIS A 120 -13.225 1.061 -1.661 1.00 0.00 H new ATOM 1857 N HIS A 121 -7.875 -3.745 -4.340 1.00 0.00 N ATOM 1858 CA HIS A 121 -7.333 -4.902 -5.027 1.00 0.00 C ATOM 1859 C HIS A 121 -6.841 -5.963 -4.035 1.00 0.00 C ATOM 1860 O HIS A 121 -7.087 -7.145 -4.264 1.00 0.00 O ATOM 1861 CB HIS A 121 -6.230 -4.444 -5.988 1.00 0.00 C ATOM 1862 CG HIS A 121 -5.835 -5.488 -6.995 1.00 0.00 C ATOM 1863 ND1 HIS A 121 -6.115 -5.431 -8.338 1.00 0.00 N ATOM 1864 CD2 HIS A 121 -5.127 -6.637 -6.764 1.00 0.00 C ATOM 1865 CE1 HIS A 121 -5.597 -6.522 -8.914 1.00 0.00 C ATOM 1866 NE2 HIS A 121 -5.010 -7.305 -7.990 1.00 0.00 N ATOM 0 H HIS A 121 -7.391 -2.878 -4.572 1.00 0.00 H new ATOM 0 HA HIS A 121 -8.120 -5.380 -5.610 1.00 0.00 H new ATOM 0 HB2 HIS A 121 -6.567 -3.552 -6.516 1.00 0.00 H new ATOM 0 HB3 HIS A 121 -5.351 -4.159 -5.409 1.00 0.00 H new ATOM 0 HD2 HIS A 121 -4.732 -6.967 -5.814 1.00 0.00 H new ATOM 0 HE1 HIS A 121 -5.643 -6.743 -9.970 1.00 0.00 H new ATOM 0 HE2 HIS A 121 -4.566 -8.209 -8.151 1.00 0.00 H new ATOM 1874 N VAL A 122 -6.189 -5.585 -2.926 1.00 0.00 N ATOM 1875 CA VAL A 122 -5.825 -6.544 -1.881 1.00 0.00 C ATOM 1876 C VAL A 122 -7.077 -7.227 -1.345 1.00 0.00 C ATOM 1877 O VAL A 122 -7.082 -8.447 -1.226 1.00 0.00 O ATOM 1878 CB VAL A 122 -5.047 -5.890 -0.723 1.00 0.00 C ATOM 1879 CG1 VAL A 122 -4.671 -6.892 0.376 1.00 0.00 C ATOM 1880 CG2 VAL A 122 -3.794 -5.182 -1.222 1.00 0.00 C ATOM 0 H VAL A 122 -5.905 -4.625 -2.733 1.00 0.00 H new ATOM 0 HA VAL A 122 -5.164 -7.282 -2.336 1.00 0.00 H new ATOM 0 HB VAL A 122 -5.723 -5.154 -0.287 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -4.125 -6.377 1.166 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -5.577 -7.335 0.790 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -4.044 -7.677 -0.046 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -3.270 -4.732 -0.379 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -3.140 -5.903 -1.713 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -4.074 -4.404 -1.932 1.00 0.00 H new ATOM 1890 N GLN A 123 -8.123 -6.479 -0.995 1.00 0.00 N ATOM 1891 CA GLN A 123 -9.312 -7.066 -0.386 1.00 0.00 C ATOM 1892 C GLN A 123 -9.981 -8.048 -1.358 1.00 0.00 C ATOM 1893 O GLN A 123 -10.400 -9.135 -0.943 1.00 0.00 O ATOM 1894 CB GLN A 123 -10.264 -5.955 0.089 1.00 0.00 C ATOM 1895 CG GLN A 123 -9.632 -5.066 1.177 1.00 0.00 C ATOM 1896 CD GLN A 123 -10.459 -3.815 1.449 1.00 0.00 C ATOM 1897 OE1 GLN A 123 -11.273 -3.777 2.369 1.00 0.00 O ATOM 1898 NE2 GLN A 123 -10.243 -2.762 0.674 1.00 0.00 N ATOM 0 H GLN A 123 -8.170 -5.468 -1.123 1.00 0.00 H new ATOM 0 HA GLN A 123 -9.027 -7.642 0.495 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -10.549 -5.336 -0.762 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -11.178 -6.405 0.477 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -9.530 -5.639 2.098 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -8.628 -4.776 0.869 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -9.562 -2.817 -0.084 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -10.757 -1.896 0.835 1.00 0.00 H new ATOM 1907 N SER A 124 -10.001 -7.711 -2.652 1.00 0.00 N ATOM 1908 CA SER A 124 -10.451 -8.601 -3.715 1.00 0.00 C ATOM 1909 C SER A 124 -9.591 -9.871 -3.778 1.00 0.00 C ATOM 1910 O SER A 124 -10.138 -10.971 -3.784 1.00 0.00 O ATOM 1911 CB SER A 124 -10.437 -7.867 -5.063 1.00 0.00 C ATOM 1912 OG SER A 124 -11.203 -6.674 -5.002 1.00 0.00 O ATOM 0 H SER A 124 -9.699 -6.797 -2.990 1.00 0.00 H new ATOM 0 HA SER A 124 -11.474 -8.906 -3.494 1.00 0.00 H new ATOM 0 HB2 SER A 124 -9.410 -7.630 -5.341 1.00 0.00 H new ATOM 0 HB3 SER A 124 -10.835 -8.519 -5.840 1.00 0.00 H new ATOM 0 HG SER A 124 -10.713 -5.996 -4.491 1.00 0.00 H new ATOM 1918 N PHE A 125 -8.258 -9.748 -3.779 1.00 0.00 N ATOM 1919 CA PHE A 125 -7.329 -10.855 -3.899 1.00 0.00 C ATOM 1920 C PHE A 125 -7.443 -11.774 -2.695 1.00 0.00 C ATOM 1921 O PHE A 125 -7.393 -12.996 -2.823 1.00 0.00 O ATOM 1922 CB PHE A 125 -5.923 -10.266 -3.942 1.00 0.00 C ATOM 1923 CG PHE A 125 -4.832 -11.302 -3.867 1.00 0.00 C ATOM 1924 CD1 PHE A 125 -4.387 -11.968 -5.017 1.00 0.00 C ATOM 1925 CD2 PHE A 125 -4.290 -11.611 -2.613 1.00 0.00 C ATOM 1926 CE1 PHE A 125 -3.374 -12.939 -4.912 1.00 0.00 C ATOM 1927 CE2 PHE A 125 -3.260 -12.560 -2.513 1.00 0.00 C ATOM 1928 CZ PHE A 125 -2.799 -13.220 -3.662 1.00 0.00 C ATOM 0 H PHE A 125 -7.792 -8.845 -3.693 1.00 0.00 H new ATOM 0 HA PHE A 125 -7.548 -11.432 -4.797 1.00 0.00 H new ATOM 0 HB2 PHE A 125 -5.806 -9.693 -4.862 1.00 0.00 H new ATOM 0 HB3 PHE A 125 -5.806 -9.567 -3.114 1.00 0.00 H new ATOM 0 HD1 PHE A 125 -4.820 -11.737 -5.979 1.00 0.00 H new ATOM 0 HD2 PHE A 125 -4.663 -11.121 -1.726 1.00 0.00 H new ATOM 0 HE1 PHE A 125 -3.039 -13.468 -5.792 1.00 0.00 H new ATOM 0 HE2 PHE A 125 -2.822 -12.782 -1.551 1.00 0.00 H new ATOM 0 HZ PHE A 125 -2.002 -13.944 -3.585 1.00 0.00 H new ATOM 1938 N LEU A 126 -7.571 -11.179 -1.508 1.00 0.00 N ATOM 1939 CA LEU A 126 -7.680 -11.921 -0.278 1.00 0.00 C ATOM 1940 C LEU A 126 -8.940 -12.773 -0.361 1.00 0.00 C ATOM 1941 O LEU A 126 -8.881 -13.973 -0.125 1.00 0.00 O ATOM 1942 CB LEU A 126 -7.702 -10.987 0.945 1.00 0.00 C ATOM 1943 CG LEU A 126 -6.345 -10.353 1.305 1.00 0.00 C ATOM 1944 CD1 LEU A 126 -6.561 -9.318 2.408 1.00 0.00 C ATOM 1945 CD2 LEU A 126 -5.325 -11.381 1.804 1.00 0.00 C ATOM 0 H LEU A 126 -7.601 -10.167 -1.386 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.808 -12.562 -0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -8.421 -10.189 0.761 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -8.063 -11.549 1.806 1.00 0.00 H new ATOM 0 HG LEU A 126 -5.947 -9.901 0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -5.606 -8.862 2.671 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -7.246 -8.547 2.055 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -6.985 -9.805 3.286 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -4.388 -10.878 2.043 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -5.711 -11.872 2.697 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -5.149 -12.126 1.028 1.00 0.00 H new ATOM 1957 N SER A 127 -10.073 -12.162 -0.708 1.00 0.00 N ATOM 1958 CA SER A 127 -11.352 -12.835 -0.872 1.00 0.00 C ATOM 1959 C SER A 127 -11.271 -13.936 -1.945 1.00 0.00 C ATOM 1960 O SER A 127 -11.810 -15.022 -1.745 1.00 0.00 O ATOM 1961 CB SER A 127 -12.397 -11.768 -1.214 1.00 0.00 C ATOM 1962 OG SER A 127 -13.716 -12.262 -1.147 1.00 0.00 O ATOM 0 H SER A 127 -10.123 -11.159 -0.886 1.00 0.00 H new ATOM 0 HA SER A 127 -11.637 -13.342 0.050 1.00 0.00 H new ATOM 0 HB2 SER A 127 -12.292 -10.928 -0.527 1.00 0.00 H new ATOM 0 HB3 SER A 127 -12.206 -11.386 -2.217 1.00 0.00 H new ATOM 0 HG SER A 127 -14.346 -11.545 -1.371 1.00 0.00 H new ATOM 1968 N GLU A 128 -10.583 -13.708 -3.064 1.00 0.00 N ATOM 1969 CA GLU A 128 -10.295 -14.690 -4.115 1.00 0.00 C ATOM 1970 C GLU A 128 -9.588 -15.902 -3.521 1.00 0.00 C ATOM 1971 O GLU A 128 -10.118 -17.010 -3.569 1.00 0.00 O ATOM 1972 CB GLU A 128 -9.405 -14.041 -5.178 1.00 0.00 C ATOM 1973 CG GLU A 128 -10.138 -13.693 -6.482 1.00 0.00 C ATOM 1974 CD GLU A 128 -10.035 -14.835 -7.502 1.00 0.00 C ATOM 1975 OE1 GLU A 128 -8.948 -14.986 -8.115 1.00 0.00 O ATOM 1976 OE2 GLU A 128 -10.987 -15.619 -7.702 1.00 0.00 O ATOM 0 H GLU A 128 -10.192 -12.790 -3.274 1.00 0.00 H new ATOM 0 HA GLU A 128 -11.230 -15.018 -4.569 1.00 0.00 H new ATOM 0 HB2 GLU A 128 -8.969 -13.131 -4.765 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -8.580 -14.715 -5.407 1.00 0.00 H new ATOM 0 HG2 GLU A 128 -11.187 -13.487 -6.268 1.00 0.00 H new ATOM 0 HG3 GLU A 128 -9.715 -12.783 -6.908 1.00 0.00 H new ATOM 1983 N HIS A 129 -8.416 -15.682 -2.917 1.00 0.00 N ATOM 1984 CA HIS A 129 -7.647 -16.723 -2.256 1.00 0.00 C ATOM 1985 C HIS A 129 -8.498 -17.435 -1.207 1.00 0.00 C ATOM 1986 O HIS A 129 -8.363 -18.654 -1.041 1.00 0.00 O ATOM 1987 CB HIS A 129 -6.382 -16.128 -1.614 1.00 0.00 C ATOM 1988 CG HIS A 129 -5.159 -16.314 -2.471 1.00 0.00 C ATOM 1989 ND1 HIS A 129 -4.121 -17.170 -2.186 1.00 0.00 N ATOM 1990 CD2 HIS A 129 -4.909 -15.744 -3.692 1.00 0.00 C ATOM 1991 CE1 HIS A 129 -3.272 -17.139 -3.222 1.00 0.00 C ATOM 1992 NE2 HIS A 129 -3.697 -16.275 -4.156 1.00 0.00 N ATOM 0 H HIS A 129 -7.976 -14.763 -2.877 1.00 0.00 H new ATOM 0 HA HIS A 129 -7.343 -17.456 -3.003 1.00 0.00 H new ATOM 0 HB2 HIS A 129 -6.536 -15.064 -1.433 1.00 0.00 H new ATOM 0 HB3 HIS A 129 -6.216 -16.596 -0.644 1.00 0.00 H new ATOM 0 HD2 HIS A 129 -5.529 -15.021 -4.201 1.00 0.00 H new ATOM 0 HE1 HIS A 129 -2.370 -17.728 -3.295 1.00 0.00 H new ATOM 0 HE2 HIS A 129 -3.229 -16.048 -5.034 1.00 0.00 H new ATOM 2000 N ASN A 130 -9.361 -16.683 -0.518 1.00 0.00 N ATOM 2001 CA ASN A 130 -10.185 -17.217 0.565 1.00 0.00 C ATOM 2002 C ASN A 130 -11.216 -18.182 -0.014 1.00 0.00 C ATOM 2003 O ASN A 130 -11.223 -19.355 0.345 1.00 0.00 O ATOM 2004 CB ASN A 130 -10.857 -16.126 1.428 1.00 0.00 C ATOM 2005 CG ASN A 130 -11.332 -16.692 2.771 1.00 0.00 C ATOM 2006 OD1 ASN A 130 -11.352 -17.897 2.980 1.00 0.00 O ATOM 2007 ND2 ASN A 130 -11.672 -15.833 3.723 1.00 0.00 N ATOM 0 H ASN A 130 -9.506 -15.689 -0.696 1.00 0.00 H new ATOM 0 HA ASN A 130 -9.522 -17.750 1.246 1.00 0.00 H new ATOM 0 HB2 ASN A 130 -10.153 -15.312 1.602 1.00 0.00 H new ATOM 0 HB3 ASN A 130 -11.705 -15.704 0.889 1.00 0.00 H new ATOM 0 HD21 ASN A 130 -11.954 -16.175 4.642 1.00 0.00 H new ATOM 0 HD22 ASN A 130 -11.651 -14.830 3.536 1.00 0.00 H new