USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 456 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 Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -2.38! X(o=-2.4!,f=-2.7) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 20 CYS SG : rot 180:sc= 0.178 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc=-0.00708 K(o=-0.0071,f=-1.1) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot -160:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 CYS SG : rot 170:sc= -1.91 USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 60 ASN : amide:sc= -1.6 K(o=-1.6,f=-0.37) USER MOD Single : A 63 GLN : amide:sc= -1.13 K(o=-1.1,f=-4.7!) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 11.847 3.852 -2.926 1.00 0.00 N ATOM 60 CA GLY A 7 10.518 3.348 -2.631 1.00 0.00 C ATOM 61 C GLY A 7 9.967 3.894 -1.329 1.00 0.00 C ATOM 62 O GLY A 7 10.621 3.817 -0.288 1.00 0.00 O ATOM 0 HA2 GLY A 7 9.844 3.611 -3.446 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.548 2.260 -2.581 1.00 0.00 H new ATOM 66 N LEU A 8 8.761 4.449 -1.385 1.00 0.00 N ATOM 67 CA LEU A 8 8.122 5.012 -0.201 1.00 0.00 C ATOM 68 C LEU A 8 7.582 3.908 0.704 1.00 0.00 C ATOM 69 O LEU A 8 7.567 2.735 0.328 1.00 0.00 O ATOM 70 CB LEU A 8 6.987 5.953 -0.608 1.00 0.00 C ATOM 71 CG LEU A 8 7.378 7.411 -0.851 1.00 0.00 C ATOM 72 CD1 LEU A 8 7.951 8.027 0.416 1.00 0.00 C ATOM 73 CD2 LEU A 8 8.377 7.512 -1.994 1.00 0.00 C ATOM 0 H LEU A 8 8.206 4.521 -2.238 1.00 0.00 H new ATOM 0 HA LEU A 8 8.873 5.576 0.353 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.528 5.564 -1.517 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.224 5.927 0.170 1.00 0.00 H new ATOM 0 HG LEU A 8 6.482 7.966 -1.128 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.224 9.065 0.225 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.204 7.988 1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.836 7.470 0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.644 8.557 -2.153 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.273 6.942 -1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.931 7.109 -2.903 1.00 0.00 H new ATOM 85 N LEU A 9 7.139 4.291 1.896 1.00 0.00 N ATOM 86 CA LEU A 9 6.597 3.334 2.854 1.00 0.00 C ATOM 87 C LEU A 9 5.246 3.803 3.386 1.00 0.00 C ATOM 88 O LEU A 9 5.121 4.917 3.895 1.00 0.00 O ATOM 89 CB LEU A 9 7.573 3.135 4.015 1.00 0.00 C ATOM 90 CG LEU A 9 9.019 2.822 3.628 1.00 0.00 C ATOM 91 CD1 LEU A 9 9.976 3.305 4.707 1.00 0.00 C ATOM 92 CD2 LEU A 9 9.195 1.330 3.386 1.00 0.00 C ATOM 0 H LEU A 9 7.144 5.257 2.222 1.00 0.00 H new ATOM 0 HA LEU A 9 6.455 2.383 2.340 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.568 4.037 4.626 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.201 2.324 4.641 1.00 0.00 H new ATOM 0 HG LEU A 9 9.250 3.350 2.703 1.00 0.00 H new ATOM 0 HD11 LEU A 9 11.000 3.074 4.415 1.00 0.00 H new ATOM 0 HD12 LEU A 9 9.869 4.382 4.833 1.00 0.00 H new ATOM 0 HD13 LEU A 9 9.746 2.805 5.648 1.00 0.00 H new ATOM 0 HD21 LEU A 9 10.230 1.125 3.112 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.945 0.782 4.295 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.536 1.012 2.578 1.00 0.00 H new ATOM 104 N ALA A 10 4.239 2.945 3.267 1.00 0.00 N ATOM 105 CA ALA A 10 2.898 3.269 3.740 1.00 0.00 C ATOM 106 C ALA A 10 2.390 2.214 4.716 1.00 0.00 C ATOM 107 O ALA A 10 2.899 1.093 4.754 1.00 0.00 O ATOM 108 CB ALA A 10 1.943 3.407 2.564 1.00 0.00 C ATOM 0 H ALA A 10 4.326 2.020 2.847 1.00 0.00 H new ATOM 0 HA ALA A 10 2.946 4.221 4.268 1.00 0.00 H new ATOM 0 HB1 ALA A 10 0.946 3.649 2.932 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.290 4.203 1.905 1.00 0.00 H new ATOM 0 HB3 ALA A 10 1.908 2.468 2.011 1.00 0.00 H new ATOM 114 N ARG A 11 1.384 2.579 5.504 1.00 0.00 N ATOM 115 CA ARG A 11 0.809 1.663 6.482 1.00 0.00 C ATOM 116 C ARG A 11 -0.530 1.118 5.994 1.00 0.00 C ATOM 117 O ARG A 11 -1.133 1.661 5.068 1.00 0.00 O ATOM 118 CB ARG A 11 0.625 2.369 7.827 1.00 0.00 C ATOM 119 CG ARG A 11 0.280 1.426 8.968 1.00 0.00 C ATOM 120 CD ARG A 11 0.227 2.159 10.299 1.00 0.00 C ATOM 121 NE ARG A 11 -1.093 2.728 10.558 1.00 0.00 N ATOM 122 CZ ARG A 11 -2.134 2.013 10.970 1.00 0.00 C ATOM 123 NH1 ARG A 11 -2.009 0.708 11.168 1.00 0.00 N ATOM 124 NH2 ARG A 11 -3.303 2.603 11.184 1.00 0.00 N ATOM 0 H ARG A 11 0.950 3.502 5.484 1.00 0.00 H new ATOM 0 HA ARG A 11 1.497 0.828 6.609 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.541 2.905 8.075 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.165 3.114 7.731 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.683 0.954 8.773 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.022 0.629 9.020 1.00 0.00 H new ATOM 0 HD2 ARG A 11 0.489 1.471 11.103 1.00 0.00 H new ATOM 0 HD3 ARG A 11 0.972 2.954 10.305 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.223 3.730 10.415 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -1.112 0.251 11.004 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.810 0.161 11.484 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.403 3.607 11.032 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.102 2.053 11.500 1.00 0.00 H new ATOM 138 N ALA A 12 -0.990 0.041 6.623 1.00 0.00 N ATOM 139 CA ALA A 12 -2.257 -0.576 6.254 1.00 0.00 C ATOM 140 C ALA A 12 -3.299 -0.390 7.353 1.00 0.00 C ATOM 141 O ALA A 12 -3.299 -1.110 8.351 1.00 0.00 O ATOM 142 CB ALA A 12 -2.058 -2.055 5.959 1.00 0.00 C ATOM 0 H ALA A 12 -0.503 -0.422 7.391 1.00 0.00 H new ATOM 0 HA ALA A 12 -2.624 -0.083 5.354 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -3.013 -2.503 5.685 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.353 -2.170 5.135 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.665 -2.553 6.845 1.00 0.00 H new ATOM 148 N LEU A 13 -4.185 0.582 7.162 1.00 0.00 N ATOM 149 CA LEU A 13 -5.233 0.864 8.138 1.00 0.00 C ATOM 150 C LEU A 13 -6.243 -0.278 8.197 1.00 0.00 C ATOM 151 O LEU A 13 -6.954 -0.440 9.189 1.00 0.00 O ATOM 152 CB LEU A 13 -5.944 2.172 7.787 1.00 0.00 C ATOM 153 CG LEU A 13 -5.042 3.383 7.547 1.00 0.00 C ATOM 154 CD1 LEU A 13 -5.843 4.538 6.968 1.00 0.00 C ATOM 155 CD2 LEU A 13 -4.355 3.801 8.838 1.00 0.00 C ATOM 0 H LEU A 13 -4.199 1.187 6.341 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.767 0.963 9.118 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.543 2.007 6.892 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.636 2.414 8.594 1.00 0.00 H new ATOM 0 HG LEU A 13 -4.274 3.103 6.826 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.185 5.391 6.804 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.286 4.234 6.020 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.633 4.818 7.665 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.717 4.664 8.648 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.107 4.063 9.582 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.748 2.976 9.210 1.00 0.00 H new ATOM 167 N TYR A 14 -6.299 -1.067 7.130 1.00 0.00 N ATOM 168 CA TYR A 14 -7.222 -2.194 7.061 1.00 0.00 C ATOM 169 C TYR A 14 -6.681 -3.285 6.142 1.00 0.00 C ATOM 170 O TYR A 14 -5.964 -3.005 5.181 1.00 0.00 O ATOM 171 CB TYR A 14 -8.592 -1.728 6.566 1.00 0.00 C ATOM 172 CG TYR A 14 -9.036 -0.412 7.165 1.00 0.00 C ATOM 173 CD1 TYR A 14 -9.593 -0.358 8.437 1.00 0.00 C ATOM 174 CD2 TYR A 14 -8.901 0.776 6.458 1.00 0.00 C ATOM 175 CE1 TYR A 14 -10.001 0.841 8.988 1.00 0.00 C ATOM 176 CE2 TYR A 14 -9.305 1.980 7.002 1.00 0.00 C ATOM 177 CZ TYR A 14 -9.854 2.008 8.266 1.00 0.00 C ATOM 178 OH TYR A 14 -10.259 3.205 8.811 1.00 0.00 O ATOM 0 H TYR A 14 -5.717 -0.947 6.301 1.00 0.00 H new ATOM 0 HA TYR A 14 -7.327 -2.608 8.064 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -8.564 -1.633 5.481 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -9.333 -2.493 6.800 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -9.709 -1.269 9.005 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -8.473 0.758 5.467 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -10.432 0.865 9.978 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -9.191 2.895 6.440 1.00 0.00 H new ATOM 0 HH TYR A 14 -10.085 3.930 8.175 1.00 0.00 H new ATOM 188 N ASP A 15 -7.031 -4.531 6.443 1.00 0.00 N ATOM 189 CA ASP A 15 -6.584 -5.666 5.645 1.00 0.00 C ATOM 190 C ASP A 15 -7.190 -5.618 4.246 1.00 0.00 C ATOM 191 O ASP A 15 -8.153 -4.893 4.000 1.00 0.00 O ATOM 192 CB ASP A 15 -6.958 -6.980 6.332 1.00 0.00 C ATOM 193 CG ASP A 15 -8.399 -6.996 6.803 1.00 0.00 C ATOM 194 OD1 ASP A 15 -9.234 -6.303 6.185 1.00 0.00 O ATOM 195 OD2 ASP A 15 -8.692 -7.703 7.790 1.00 0.00 O ATOM 0 H ASP A 15 -7.624 -4.780 7.235 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.499 -5.610 5.554 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.795 -7.807 5.641 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -6.298 -7.142 7.184 1.00 0.00 H new ATOM 200 N ASN A 16 -6.619 -6.396 3.332 1.00 0.00 N ATOM 201 CA ASN A 16 -7.102 -6.441 1.957 1.00 0.00 C ATOM 202 C ASN A 16 -7.109 -7.873 1.430 1.00 0.00 C ATOM 203 O ASN A 16 -6.108 -8.584 1.522 1.00 0.00 O ATOM 204 CB ASN A 16 -6.232 -5.560 1.059 1.00 0.00 C ATOM 205 CG ASN A 16 -6.541 -5.750 -0.413 1.00 0.00 C ATOM 206 OD1 ASN A 16 -7.675 -6.050 -0.787 1.00 0.00 O ATOM 207 ND2 ASN A 16 -5.530 -5.577 -1.257 1.00 0.00 N ATOM 0 H ASN A 16 -5.821 -7.004 3.519 1.00 0.00 H new ATOM 0 HA ASN A 16 -8.124 -6.063 1.945 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -6.381 -4.514 1.327 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -5.181 -5.788 1.239 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -5.677 -5.692 -2.260 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -4.606 -5.329 -0.902 1.00 0.00 H new ATOM 214 N CYS A 17 -8.243 -8.288 0.876 1.00 0.00 N ATOM 215 CA CYS A 17 -8.380 -9.636 0.334 1.00 0.00 C ATOM 216 C CYS A 17 -8.593 -9.595 -1.176 1.00 0.00 C ATOM 217 O CYS A 17 -9.716 -9.681 -1.672 1.00 0.00 O ATOM 218 CB CYS A 17 -9.547 -10.361 1.006 1.00 0.00 C ATOM 219 SG CYS A 17 -9.339 -12.155 1.109 1.00 0.00 S ATOM 0 H CYS A 17 -9.080 -7.711 0.790 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.458 -10.180 0.538 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -9.678 -9.963 2.012 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -10.462 -10.143 0.455 1.00 0.00 H new ATOM 0 HG CYS A 17 -10.375 -12.679 1.694 1.00 0.00 H new ATOM 225 N PRO A 18 -7.489 -9.459 -1.926 1.00 0.00 N ATOM 226 CA PRO A 18 -7.529 -9.402 -3.390 1.00 0.00 C ATOM 227 C PRO A 18 -7.904 -10.742 -4.012 1.00 0.00 C ATOM 228 O PRO A 18 -7.457 -11.795 -3.558 1.00 0.00 O ATOM 229 CB PRO A 18 -6.096 -9.019 -3.769 1.00 0.00 C ATOM 230 CG PRO A 18 -5.262 -9.496 -2.630 1.00 0.00 C ATOM 231 CD PRO A 18 -6.117 -9.350 -1.402 1.00 0.00 C ATOM 0 HA PRO A 18 -8.282 -8.701 -3.750 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -5.795 -9.490 -4.705 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -5.998 -7.942 -3.908 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.960 -10.533 -2.775 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.349 -8.908 -2.542 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -5.904 -10.128 -0.669 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -5.950 -8.393 -0.908 1.00 0.00 H new ATOM 239 N ASP A 19 -8.728 -10.696 -5.053 1.00 0.00 N ATOM 240 CA ASP A 19 -9.162 -11.907 -5.739 1.00 0.00 C ATOM 241 C ASP A 19 -8.403 -12.093 -7.049 1.00 0.00 C ATOM 242 O ASP A 19 -8.943 -12.621 -8.022 1.00 0.00 O ATOM 243 CB ASP A 19 -10.666 -11.853 -6.011 1.00 0.00 C ATOM 244 CG ASP A 19 -11.287 -13.233 -6.111 1.00 0.00 C ATOM 245 OD1 ASP A 19 -11.073 -14.047 -5.188 1.00 0.00 O ATOM 246 OD2 ASP A 19 -11.985 -13.499 -7.112 1.00 0.00 O ATOM 0 H ASP A 19 -9.109 -9.833 -5.440 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.947 -12.757 -5.092 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -11.156 -11.294 -5.214 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -10.845 -11.309 -6.939 1.00 0.00 H new ATOM 251 N CYS A 20 -7.149 -11.654 -7.067 1.00 0.00 N ATOM 252 CA CYS A 20 -6.315 -11.769 -8.258 1.00 0.00 C ATOM 253 C CYS A 20 -4.848 -11.526 -7.921 1.00 0.00 C ATOM 254 O CYS A 20 -4.504 -11.233 -6.776 1.00 0.00 O ATOM 255 CB CYS A 20 -6.777 -10.778 -9.327 1.00 0.00 C ATOM 256 SG CYS A 20 -6.480 -11.329 -11.023 1.00 0.00 S ATOM 0 H CYS A 20 -6.688 -11.215 -6.270 1.00 0.00 H new ATOM 0 HA CYS A 20 -6.416 -12.783 -8.645 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -7.843 -10.592 -9.198 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -6.267 -9.828 -9.171 1.00 0.00 H new ATOM 0 HG CYS A 20 -6.907 -10.425 -11.854 1.00 0.00 H new ATOM 262 N SER A 21 -3.987 -11.651 -8.925 1.00 0.00 N ATOM 263 CA SER A 21 -2.555 -11.450 -8.734 1.00 0.00 C ATOM 264 C SER A 21 -2.200 -9.968 -8.807 1.00 0.00 C ATOM 265 O SER A 21 -1.472 -9.451 -7.959 1.00 0.00 O ATOM 266 CB SER A 21 -1.764 -12.228 -9.788 1.00 0.00 C ATOM 267 OG SER A 21 -0.390 -11.885 -9.749 1.00 0.00 O ATOM 0 H SER A 21 -4.256 -11.891 -9.879 1.00 0.00 H new ATOM 0 HA SER A 21 -2.290 -11.821 -7.744 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.880 -13.298 -9.618 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.167 -12.017 -10.779 1.00 0.00 H new ATOM 0 HG SER A 21 0.094 -12.396 -10.431 1.00 0.00 H new ATOM 273 N ASP A 22 -2.719 -9.291 -9.825 1.00 0.00 N ATOM 274 CA ASP A 22 -2.459 -7.868 -10.009 1.00 0.00 C ATOM 275 C ASP A 22 -2.533 -7.125 -8.679 1.00 0.00 C ATOM 276 O ASP A 22 -1.624 -6.376 -8.325 1.00 0.00 O ATOM 277 CB ASP A 22 -3.459 -7.269 -10.999 1.00 0.00 C ATOM 278 CG ASP A 22 -3.448 -7.981 -12.337 1.00 0.00 C ATOM 279 OD1 ASP A 22 -2.401 -8.563 -12.691 1.00 0.00 O ATOM 280 OD2 ASP A 22 -4.487 -7.959 -13.029 1.00 0.00 O ATOM 0 H ASP A 22 -3.322 -9.705 -10.536 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.452 -7.757 -10.410 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -4.461 -7.318 -10.573 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -3.228 -6.214 -11.150 1.00 0.00 H new ATOM 285 N GLU A 23 -3.623 -7.339 -7.947 1.00 0.00 N ATOM 286 CA GLU A 23 -3.815 -6.688 -6.657 1.00 0.00 C ATOM 287 C GLU A 23 -2.902 -7.298 -5.598 1.00 0.00 C ATOM 288 O GLU A 23 -2.510 -8.461 -5.695 1.00 0.00 O ATOM 289 CB GLU A 23 -5.276 -6.804 -6.215 1.00 0.00 C ATOM 290 CG GLU A 23 -6.215 -5.878 -6.970 1.00 0.00 C ATOM 291 CD GLU A 23 -6.744 -6.499 -8.248 1.00 0.00 C ATOM 292 OE1 GLU A 23 -6.093 -7.429 -8.769 1.00 0.00 O ATOM 293 OE2 GLU A 23 -7.809 -6.055 -8.727 1.00 0.00 O ATOM 0 H GLU A 23 -4.385 -7.957 -8.226 1.00 0.00 H new ATOM 0 HA GLU A 23 -3.559 -5.634 -6.769 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -5.607 -7.833 -6.351 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.343 -6.586 -5.149 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.053 -5.612 -6.326 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -5.691 -4.953 -7.210 1.00 0.00 H new ATOM 300 N LEU A 24 -2.566 -6.504 -4.587 1.00 0.00 N ATOM 301 CA LEU A 24 -1.699 -6.965 -3.508 1.00 0.00 C ATOM 302 C LEU A 24 -2.520 -7.451 -2.318 1.00 0.00 C ATOM 303 O LEU A 24 -3.573 -6.894 -2.010 1.00 0.00 O ATOM 304 CB LEU A 24 -0.758 -5.841 -3.069 1.00 0.00 C ATOM 305 CG LEU A 24 0.603 -6.279 -2.526 1.00 0.00 C ATOM 306 CD1 LEU A 24 1.567 -5.103 -2.492 1.00 0.00 C ATOM 307 CD2 LEU A 24 0.453 -6.889 -1.140 1.00 0.00 C ATOM 0 H LEU A 24 -2.881 -5.538 -4.492 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.108 -7.801 -3.882 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.592 -5.180 -3.920 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.261 -5.252 -2.302 1.00 0.00 H new ATOM 0 HG LEU A 24 1.012 -7.038 -3.193 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.530 -5.433 -2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.698 -4.711 -3.500 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.164 -4.321 -1.848 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.431 -7.195 -0.769 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.023 -6.152 -0.463 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.203 -7.758 -1.194 1.00 0.00 H new ATOM 319 N ALA A 25 -2.029 -8.491 -1.652 1.00 0.00 N ATOM 320 CA ALA A 25 -2.715 -9.049 -0.493 1.00 0.00 C ATOM 321 C ALA A 25 -1.974 -8.714 0.797 1.00 0.00 C ATOM 322 O ALA A 25 -0.961 -9.334 1.121 1.00 0.00 O ATOM 323 CB ALA A 25 -2.864 -10.555 -0.643 1.00 0.00 C ATOM 0 H ALA A 25 -1.159 -8.964 -1.895 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.707 -8.601 -0.438 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.378 -10.958 0.229 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.443 -10.776 -1.540 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -1.878 -11.012 -0.727 1.00 0.00 H new ATOM 329 N PHE A 26 -2.486 -7.731 1.530 1.00 0.00 N ATOM 330 CA PHE A 26 -1.871 -7.313 2.784 1.00 0.00 C ATOM 331 C PHE A 26 -2.890 -7.325 3.920 1.00 0.00 C ATOM 332 O PHE A 26 -4.098 -7.337 3.684 1.00 0.00 O ATOM 333 CB PHE A 26 -1.268 -5.914 2.640 1.00 0.00 C ATOM 334 CG PHE A 26 -2.254 -4.882 2.174 1.00 0.00 C ATOM 335 CD1 PHE A 26 -3.140 -4.299 3.065 1.00 0.00 C ATOM 336 CD2 PHE A 26 -2.294 -4.494 0.844 1.00 0.00 C ATOM 337 CE1 PHE A 26 -4.049 -3.348 2.639 1.00 0.00 C ATOM 338 CE2 PHE A 26 -3.200 -3.543 0.413 1.00 0.00 C ATOM 339 CZ PHE A 26 -4.079 -2.971 1.311 1.00 0.00 C ATOM 0 H PHE A 26 -3.325 -7.209 1.277 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.077 -8.020 3.024 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.856 -5.604 3.600 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.437 -5.956 1.935 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.121 -4.591 4.105 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.610 -4.939 0.137 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.734 -2.901 3.344 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -3.220 -3.248 -0.626 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.789 -2.230 0.975 1.00 0.00 H new ATOM 349 N SER A 27 -2.393 -7.324 5.153 1.00 0.00 N ATOM 350 CA SER A 27 -3.260 -7.339 6.326 1.00 0.00 C ATOM 351 C SER A 27 -2.987 -6.132 7.218 1.00 0.00 C ATOM 352 O SER A 27 -1.944 -5.488 7.109 1.00 0.00 O ATOM 353 CB SER A 27 -3.055 -8.631 7.120 1.00 0.00 C ATOM 354 OG SER A 27 -4.132 -8.856 8.013 1.00 0.00 O ATOM 0 H SER A 27 -1.395 -7.313 5.366 1.00 0.00 H new ATOM 0 HA SER A 27 -4.294 -7.290 5.985 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.965 -9.473 6.434 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.121 -8.574 7.679 1.00 0.00 H new ATOM 0 HG SER A 27 -3.979 -9.688 8.507 1.00 0.00 H new ATOM 360 N ARG A 28 -3.934 -5.831 8.101 1.00 0.00 N ATOM 361 CA ARG A 28 -3.798 -4.701 9.012 1.00 0.00 C ATOM 362 C ARG A 28 -2.493 -4.789 9.797 1.00 0.00 C ATOM 363 O ARG A 28 -2.141 -5.846 10.319 1.00 0.00 O ATOM 364 CB ARG A 28 -4.984 -4.651 9.977 1.00 0.00 C ATOM 365 CG ARG A 28 -4.748 -3.760 11.186 1.00 0.00 C ATOM 366 CD ARG A 28 -4.795 -2.287 10.810 1.00 0.00 C ATOM 367 NE ARG A 28 -5.217 -1.450 11.929 1.00 0.00 N ATOM 368 CZ ARG A 28 -4.432 -1.145 12.957 1.00 0.00 C ATOM 369 NH1 ARG A 28 -3.191 -1.607 13.006 1.00 0.00 N ATOM 370 NH2 ARG A 28 -4.889 -0.377 13.937 1.00 0.00 N ATOM 0 H ARG A 28 -4.804 -6.354 8.205 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.783 -3.787 8.418 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.864 -4.295 9.440 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.206 -5.662 10.319 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.502 -3.967 11.945 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -3.779 -3.993 11.628 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.810 -1.968 10.470 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.481 -2.148 9.974 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.167 -1.079 11.921 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -2.837 -2.198 12.254 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.590 -1.372 13.796 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.844 -0.020 13.902 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.286 -0.144 14.726 1.00 0.00 H new ATOM 384 N GLY A 29 -1.779 -3.671 9.876 1.00 0.00 N ATOM 385 CA GLY A 29 -0.520 -3.643 10.598 1.00 0.00 C ATOM 386 C GLY A 29 0.644 -4.118 9.752 1.00 0.00 C ATOM 387 O GLY A 29 1.537 -4.809 10.244 1.00 0.00 O ATOM 0 H GLY A 29 -2.050 -2.783 9.453 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -0.325 -2.627 10.942 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.600 -4.270 11.486 1.00 0.00 H new ATOM 391 N ASP A 30 0.636 -3.748 8.476 1.00 0.00 N ATOM 392 CA ASP A 30 1.699 -4.141 7.559 1.00 0.00 C ATOM 393 C ASP A 30 2.139 -2.961 6.698 1.00 0.00 C ATOM 394 O ASP A 30 1.366 -2.451 5.887 1.00 0.00 O ATOM 395 CB ASP A 30 1.233 -5.293 6.667 1.00 0.00 C ATOM 396 CG ASP A 30 1.012 -6.575 7.445 1.00 0.00 C ATOM 397 OD1 ASP A 30 1.750 -6.809 8.426 1.00 0.00 O ATOM 398 OD2 ASP A 30 0.101 -7.344 7.074 1.00 0.00 O ATOM 0 H ASP A 30 -0.095 -3.176 8.053 1.00 0.00 H new ATOM 0 HA ASP A 30 2.551 -4.473 8.152 1.00 0.00 H new ATOM 0 HB2 ASP A 30 0.306 -5.010 6.168 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.974 -5.468 5.887 1.00 0.00 H new ATOM 403 N ILE A 31 3.382 -2.532 6.883 1.00 0.00 N ATOM 404 CA ILE A 31 3.924 -1.411 6.123 1.00 0.00 C ATOM 405 C ILE A 31 4.259 -1.826 4.695 1.00 0.00 C ATOM 406 O ILE A 31 5.198 -2.589 4.462 1.00 0.00 O ATOM 407 CB ILE A 31 5.188 -0.838 6.790 1.00 0.00 C ATOM 408 CG1 ILE A 31 4.817 -0.063 8.055 1.00 0.00 C ATOM 409 CG2 ILE A 31 5.942 0.056 5.816 1.00 0.00 C ATOM 410 CD1 ILE A 31 4.208 -0.927 9.137 1.00 0.00 C ATOM 0 H ILE A 31 4.033 -2.943 7.552 1.00 0.00 H new ATOM 0 HA ILE A 31 3.153 -0.641 6.103 1.00 0.00 H new ATOM 0 HB ILE A 31 5.839 -1.666 7.072 1.00 0.00 H new ATOM 0 HG12 ILE A 31 5.710 0.422 8.449 1.00 0.00 H new ATOM 0 HG13 ILE A 31 4.113 0.727 7.794 1.00 0.00 H new ATOM 0 HG21 ILE A 31 6.833 0.454 6.302 1.00 0.00 H new ATOM 0 HG22 ILE A 31 6.234 -0.524 4.941 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.299 0.880 5.506 1.00 0.00 H new ATOM 0 HD11 ILE A 31 3.970 -0.311 10.004 1.00 0.00 H new ATOM 0 HD12 ILE A 31 3.297 -1.392 8.761 1.00 0.00 H new ATOM 0 HD13 ILE A 31 4.918 -1.702 9.427 1.00 0.00 H new ATOM 422 N LEU A 32 3.487 -1.319 3.741 1.00 0.00 N ATOM 423 CA LEU A 32 3.703 -1.635 2.333 1.00 0.00 C ATOM 424 C LEU A 32 4.692 -0.660 1.701 1.00 0.00 C ATOM 425 O LEU A 32 4.571 0.555 1.860 1.00 0.00 O ATOM 426 CB LEU A 32 2.376 -1.598 1.572 1.00 0.00 C ATOM 427 CG LEU A 32 1.518 -2.861 1.657 1.00 0.00 C ATOM 428 CD1 LEU A 32 2.320 -4.080 1.231 1.00 0.00 C ATOM 429 CD2 LEU A 32 0.975 -3.043 3.067 1.00 0.00 C ATOM 0 H LEU A 32 2.706 -0.687 3.916 1.00 0.00 H new ATOM 0 HA LEU A 32 4.122 -2.639 2.272 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.789 -0.759 1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.588 -1.397 0.522 1.00 0.00 H new ATOM 0 HG LEU A 32 0.674 -2.751 0.976 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.693 -4.969 1.298 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.659 -3.951 0.203 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.184 -4.195 1.886 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.367 -3.947 3.109 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.805 -3.131 3.768 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.364 -2.181 3.335 1.00 0.00 H new ATOM 441 N THR A 33 5.671 -1.201 0.982 1.00 0.00 N ATOM 442 CA THR A 33 6.680 -0.380 0.325 1.00 0.00 C ATOM 443 C THR A 33 6.193 0.106 -1.035 1.00 0.00 C ATOM 444 O THR A 33 6.269 -0.620 -2.027 1.00 0.00 O ATOM 445 CB THR A 33 7.999 -1.153 0.140 1.00 0.00 C ATOM 446 OG1 THR A 33 8.533 -1.524 1.416 1.00 0.00 O ATOM 447 CG2 THR A 33 9.017 -0.313 -0.616 1.00 0.00 C ATOM 0 H THR A 33 5.786 -2.205 0.840 1.00 0.00 H new ATOM 0 HA THR A 33 6.859 0.479 0.971 1.00 0.00 H new ATOM 0 HB THR A 33 7.789 -2.051 -0.441 1.00 0.00 H new ATOM 0 HG1 THR A 33 9.371 -2.017 1.289 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.940 -0.880 -0.734 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.620 -0.057 -1.598 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.221 0.601 -0.058 1.00 0.00 H new ATOM 455 N ILE A 34 5.695 1.337 -1.075 1.00 0.00 N ATOM 456 CA ILE A 34 5.198 1.919 -2.315 1.00 0.00 C ATOM 457 C ILE A 34 6.333 2.156 -3.305 1.00 0.00 C ATOM 458 O ILE A 34 7.105 3.105 -3.166 1.00 0.00 O ATOM 459 CB ILE A 34 4.469 3.252 -2.059 1.00 0.00 C ATOM 460 CG1 ILE A 34 3.289 3.038 -1.109 1.00 0.00 C ATOM 461 CG2 ILE A 34 3.996 3.858 -3.372 1.00 0.00 C ATOM 462 CD1 ILE A 34 2.642 4.326 -0.650 1.00 0.00 C ATOM 0 H ILE A 34 5.625 1.950 -0.263 1.00 0.00 H new ATOM 0 HA ILE A 34 4.493 1.204 -2.738 1.00 0.00 H new ATOM 0 HB ILE A 34 5.167 3.947 -1.591 1.00 0.00 H new ATOM 0 HG12 ILE A 34 2.540 2.422 -1.606 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.632 2.482 -0.236 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.483 4.799 -3.174 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.854 4.041 -4.018 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.311 3.168 -3.865 1.00 0.00 H new ATOM 0 HD11 ILE A 34 1.813 4.098 0.020 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.377 4.935 -0.124 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.269 4.874 -1.515 1.00 0.00 H new ATOM 474 N LEU A 35 6.429 1.287 -4.306 1.00 0.00 N ATOM 475 CA LEU A 35 7.469 1.402 -5.322 1.00 0.00 C ATOM 476 C LEU A 35 7.240 2.628 -6.200 1.00 0.00 C ATOM 477 O LEU A 35 8.154 3.420 -6.427 1.00 0.00 O ATOM 478 CB LEU A 35 7.506 0.140 -6.187 1.00 0.00 C ATOM 479 CG LEU A 35 7.711 -1.179 -5.441 1.00 0.00 C ATOM 480 CD1 LEU A 35 7.093 -2.332 -6.216 1.00 0.00 C ATOM 481 CD2 LEU A 35 9.192 -1.430 -5.199 1.00 0.00 C ATOM 0 H LEU A 35 5.799 0.495 -4.435 1.00 0.00 H new ATOM 0 HA LEU A 35 8.427 1.516 -4.815 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.571 0.078 -6.744 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.306 0.249 -6.919 1.00 0.00 H new ATOM 0 HG LEU A 35 7.212 -1.109 -4.474 1.00 0.00 H new ATOM 0 HD11 LEU A 35 7.249 -3.262 -5.670 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.024 -2.157 -6.338 1.00 0.00 H new ATOM 0 HD13 LEU A 35 7.563 -2.404 -7.197 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.319 -2.373 -4.667 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.714 -1.479 -6.155 1.00 0.00 H new ATOM 0 HD23 LEU A 35 9.606 -0.618 -4.601 1.00 0.00 H new ATOM 493 N GLU A 36 6.013 2.777 -6.690 1.00 0.00 N ATOM 494 CA GLU A 36 5.664 3.908 -7.542 1.00 0.00 C ATOM 495 C GLU A 36 4.264 4.422 -7.218 1.00 0.00 C ATOM 496 O GLU A 36 3.289 3.673 -7.274 1.00 0.00 O ATOM 497 CB GLU A 36 5.744 3.508 -9.016 1.00 0.00 C ATOM 498 CG GLU A 36 4.624 2.579 -9.456 1.00 0.00 C ATOM 499 CD GLU A 36 4.942 1.855 -10.750 1.00 0.00 C ATOM 500 OE1 GLU A 36 6.101 1.421 -10.917 1.00 0.00 O ATOM 501 OE2 GLU A 36 4.032 1.722 -11.595 1.00 0.00 O ATOM 0 H GLU A 36 5.245 2.130 -6.512 1.00 0.00 H new ATOM 0 HA GLU A 36 6.379 4.708 -7.351 1.00 0.00 H new ATOM 0 HB2 GLU A 36 5.720 4.408 -9.630 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.702 3.022 -9.200 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.435 1.847 -8.671 1.00 0.00 H new ATOM 0 HG3 GLU A 36 3.707 3.155 -9.582 1.00 0.00 H new ATOM 508 N GLN A 37 4.174 5.704 -6.879 1.00 0.00 N ATOM 509 CA GLN A 37 2.894 6.317 -6.545 1.00 0.00 C ATOM 510 C GLN A 37 2.074 6.584 -7.803 1.00 0.00 C ATOM 511 O GLN A 37 0.862 6.368 -7.824 1.00 0.00 O ATOM 512 CB GLN A 37 3.115 7.623 -5.779 1.00 0.00 C ATOM 513 CG GLN A 37 3.699 7.422 -4.390 1.00 0.00 C ATOM 514 CD GLN A 37 4.100 8.727 -3.731 1.00 0.00 C ATOM 515 OE1 GLN A 37 4.325 9.733 -4.405 1.00 0.00 O ATOM 516 NE2 GLN A 37 4.191 8.718 -2.406 1.00 0.00 N ATOM 0 H GLN A 37 4.972 6.338 -6.828 1.00 0.00 H new ATOM 0 HA GLN A 37 2.340 5.622 -5.913 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.782 8.264 -6.355 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.164 8.149 -5.692 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.968 6.912 -3.763 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.570 6.771 -4.457 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.996 7.862 -1.887 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.456 9.567 -1.907 1.00 0.00 H new ATOM 525 N HIS A 38 2.742 7.057 -8.850 1.00 0.00 N ATOM 526 CA HIS A 38 2.074 7.354 -10.113 1.00 0.00 C ATOM 527 C HIS A 38 1.761 6.070 -10.876 1.00 0.00 C ATOM 528 O HIS A 38 2.666 5.359 -11.312 1.00 0.00 O ATOM 529 CB HIS A 38 2.945 8.272 -10.971 1.00 0.00 C ATOM 530 CG HIS A 38 2.275 8.727 -12.231 1.00 0.00 C ATOM 531 ND1 HIS A 38 2.868 8.639 -13.472 1.00 0.00 N ATOM 532 CD2 HIS A 38 1.055 9.275 -12.436 1.00 0.00 C ATOM 533 CE1 HIS A 38 2.042 9.115 -14.387 1.00 0.00 C ATOM 534 NE2 HIS A 38 0.934 9.508 -13.784 1.00 0.00 N ATOM 0 H HIS A 38 3.745 7.243 -8.849 1.00 0.00 H new ATOM 0 HA HIS A 38 1.135 7.861 -9.890 1.00 0.00 H new ATOM 0 HB2 HIS A 38 3.227 9.146 -10.383 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.867 7.750 -11.227 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.314 9.489 -11.680 1.00 0.00 H new ATOM 0 HE1 HIS A 38 2.239 9.173 -15.447 1.00 0.00 H new ATOM 0 HE2 HIS A 38 0.121 9.918 -14.245 1.00 0.00 H new ATOM 543 N VAL A 39 0.473 5.780 -11.033 1.00 0.00 N ATOM 544 CA VAL A 39 0.041 4.583 -11.744 1.00 0.00 C ATOM 545 C VAL A 39 -1.086 4.901 -12.721 1.00 0.00 C ATOM 546 O VAL A 39 -2.264 4.920 -12.365 1.00 0.00 O ATOM 547 CB VAL A 39 -0.435 3.491 -10.767 1.00 0.00 C ATOM 548 CG1 VAL A 39 -0.820 2.229 -11.523 1.00 0.00 C ATOM 549 CG2 VAL A 39 0.641 3.197 -9.733 1.00 0.00 C ATOM 0 H VAL A 39 -0.289 6.358 -10.677 1.00 0.00 H new ATOM 0 HA VAL A 39 0.905 4.214 -12.297 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.319 3.855 -10.244 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.154 1.469 -10.816 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.626 2.455 -12.221 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.044 1.857 -12.074 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.288 2.423 -9.051 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.545 2.853 -10.236 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.862 4.104 -9.170 1.00 0.00 H new ATOM 559 N PRO A 40 -0.717 5.157 -13.985 1.00 0.00 N ATOM 560 CA PRO A 40 -1.682 5.478 -15.041 1.00 0.00 C ATOM 561 C PRO A 40 -2.537 4.277 -15.430 1.00 0.00 C ATOM 562 O PRO A 40 -3.666 4.432 -15.895 1.00 0.00 O ATOM 563 CB PRO A 40 -0.796 5.905 -16.214 1.00 0.00 C ATOM 564 CG PRO A 40 0.505 5.219 -15.975 1.00 0.00 C ATOM 565 CD PRO A 40 0.669 5.152 -14.482 1.00 0.00 C ATOM 0 HA PRO A 40 -2.392 6.242 -14.725 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.231 5.607 -17.168 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.673 6.988 -16.244 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.506 4.221 -16.413 1.00 0.00 H new ATOM 0 HG3 PRO A 40 1.327 5.769 -16.434 1.00 0.00 H new ATOM 0 HD2 PRO A 40 1.202 4.252 -14.176 1.00 0.00 H new ATOM 0 HD3 PRO A 40 1.235 6.002 -14.102 1.00 0.00 H new ATOM 573 N GLU A 41 -1.992 3.080 -15.236 1.00 0.00 N ATOM 574 CA GLU A 41 -2.707 1.853 -15.567 1.00 0.00 C ATOM 575 C GLU A 41 -3.928 1.675 -14.669 1.00 0.00 C ATOM 576 O GLU A 41 -4.983 1.229 -15.120 1.00 0.00 O ATOM 577 CB GLU A 41 -1.779 0.644 -15.431 1.00 0.00 C ATOM 578 CG GLU A 41 -0.526 0.739 -16.284 1.00 0.00 C ATOM 579 CD GLU A 41 0.302 -0.532 -16.249 1.00 0.00 C ATOM 580 OE1 GLU A 41 -0.288 -1.626 -16.370 1.00 0.00 O ATOM 581 OE2 GLU A 41 1.537 -0.432 -16.101 1.00 0.00 O ATOM 0 H GLU A 41 -1.059 2.934 -14.852 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.046 1.928 -16.600 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.489 0.535 -14.386 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.328 -0.257 -15.705 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.808 0.956 -17.314 1.00 0.00 H new ATOM 0 HG3 GLU A 41 0.083 1.574 -15.937 1.00 0.00 H new ATOM 588 N SER A 42 -3.775 2.027 -13.397 1.00 0.00 N ATOM 589 CA SER A 42 -4.863 1.903 -12.434 1.00 0.00 C ATOM 590 C SER A 42 -5.100 3.224 -11.708 1.00 0.00 C ATOM 591 O SER A 42 -4.192 3.773 -11.085 1.00 0.00 O ATOM 592 CB SER A 42 -4.552 0.800 -11.420 1.00 0.00 C ATOM 593 OG SER A 42 -5.004 -0.461 -11.883 1.00 0.00 O ATOM 0 H SER A 42 -2.909 2.400 -13.009 1.00 0.00 H new ATOM 0 HA SER A 42 -5.769 1.641 -12.980 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.478 0.761 -11.239 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.028 1.033 -10.467 1.00 0.00 H new ATOM 0 HG SER A 42 -5.090 -1.076 -11.125 1.00 0.00 H new ATOM 599 N GLU A 43 -6.327 3.728 -11.795 1.00 0.00 N ATOM 600 CA GLU A 43 -6.684 4.985 -11.147 1.00 0.00 C ATOM 601 C GLU A 43 -6.964 4.772 -9.663 1.00 0.00 C ATOM 602 O GLU A 43 -7.921 4.094 -9.291 1.00 0.00 O ATOM 603 CB GLU A 43 -7.908 5.604 -11.825 1.00 0.00 C ATOM 604 CG GLU A 43 -7.579 6.368 -13.096 1.00 0.00 C ATOM 605 CD GLU A 43 -8.783 6.536 -14.004 1.00 0.00 C ATOM 606 OE1 GLU A 43 -9.156 5.556 -14.683 1.00 0.00 O ATOM 607 OE2 GLU A 43 -9.351 7.647 -14.035 1.00 0.00 O ATOM 0 H GLU A 43 -7.090 3.286 -12.307 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.840 5.667 -11.245 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.621 4.814 -12.061 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.400 6.278 -11.123 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.187 7.350 -12.834 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.791 5.844 -13.637 1.00 0.00 H new ATOM 614 N GLY A 44 -6.120 5.356 -8.817 1.00 0.00 N ATOM 615 CA GLY A 44 -6.292 5.218 -7.383 1.00 0.00 C ATOM 616 C GLY A 44 -5.709 3.924 -6.851 1.00 0.00 C ATOM 617 O GLY A 44 -6.314 3.264 -6.006 1.00 0.00 O ATOM 0 H GLY A 44 -5.320 5.922 -9.100 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.817 6.061 -6.880 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.354 5.261 -7.142 1.00 0.00 H new ATOM 621 N TRP A 45 -4.531 3.560 -7.346 1.00 0.00 N ATOM 622 CA TRP A 45 -3.867 2.335 -6.916 1.00 0.00 C ATOM 623 C TRP A 45 -2.384 2.581 -6.661 1.00 0.00 C ATOM 624 O TRP A 45 -1.791 3.498 -7.229 1.00 0.00 O ATOM 625 CB TRP A 45 -4.042 1.239 -7.968 1.00 0.00 C ATOM 626 CG TRP A 45 -5.391 0.587 -7.928 1.00 0.00 C ATOM 627 CD1 TRP A 45 -6.513 0.985 -8.597 1.00 0.00 C ATOM 628 CD2 TRP A 45 -5.759 -0.576 -7.179 1.00 0.00 C ATOM 629 NE1 TRP A 45 -7.557 0.139 -8.309 1.00 0.00 N ATOM 630 CE2 TRP A 45 -7.119 -0.828 -7.442 1.00 0.00 C ATOM 631 CE3 TRP A 45 -5.071 -1.431 -6.314 1.00 0.00 C ATOM 632 CZ2 TRP A 45 -7.803 -1.897 -6.869 1.00 0.00 C ATOM 633 CZ3 TRP A 45 -5.750 -2.491 -5.746 1.00 0.00 C ATOM 634 CH2 TRP A 45 -7.104 -2.718 -6.025 1.00 0.00 C ATOM 0 H TRP A 45 -4.016 4.096 -8.045 1.00 0.00 H new ATOM 0 HA TRP A 45 -4.328 2.009 -5.983 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -3.882 1.667 -8.958 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -3.275 0.479 -7.822 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -6.571 1.839 -9.256 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -8.504 0.218 -8.680 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -4.027 -1.266 -6.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -8.847 -2.072 -7.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -5.228 -3.157 -5.075 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -7.606 -3.557 -5.566 1.00 0.00 H new ATOM 645 N TRP A 46 -1.791 1.757 -5.805 1.00 0.00 N ATOM 646 CA TRP A 46 -0.376 1.886 -5.476 1.00 0.00 C ATOM 647 C TRP A 46 0.336 0.543 -5.599 1.00 0.00 C ATOM 648 O TRP A 46 -0.118 -0.464 -5.055 1.00 0.00 O ATOM 649 CB TRP A 46 -0.209 2.438 -4.059 1.00 0.00 C ATOM 650 CG TRP A 46 -0.409 3.920 -3.972 1.00 0.00 C ATOM 651 CD1 TRP A 46 -0.282 4.826 -4.986 1.00 0.00 C ATOM 652 CD2 TRP A 46 -0.770 4.669 -2.806 1.00 0.00 C ATOM 653 NE1 TRP A 46 -0.542 6.092 -4.521 1.00 0.00 N ATOM 654 CE2 TRP A 46 -0.845 6.023 -3.187 1.00 0.00 C ATOM 655 CE3 TRP A 46 -1.040 4.328 -1.478 1.00 0.00 C ATOM 656 CZ2 TRP A 46 -1.177 7.032 -2.287 1.00 0.00 C ATOM 657 CZ3 TRP A 46 -1.368 5.330 -0.586 1.00 0.00 C ATOM 658 CH2 TRP A 46 -1.435 6.669 -0.993 1.00 0.00 C ATOM 0 H TRP A 46 -2.268 0.993 -5.326 1.00 0.00 H new ATOM 0 HA TRP A 46 0.074 2.581 -6.185 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.920 1.943 -3.398 1.00 0.00 H new ATOM 0 HB3 TRP A 46 0.789 2.191 -3.696 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -0.016 4.583 -6.004 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -0.514 6.945 -5.079 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -0.993 3.299 -1.155 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -1.229 8.065 -2.599 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.576 5.077 0.443 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -1.695 7.429 -0.272 1.00 0.00 H new ATOM 669 N LYS A 47 1.454 0.535 -6.316 1.00 0.00 N ATOM 670 CA LYS A 47 2.231 -0.684 -6.510 1.00 0.00 C ATOM 671 C LYS A 47 3.244 -0.868 -5.385 1.00 0.00 C ATOM 672 O LYS A 47 4.338 -0.303 -5.423 1.00 0.00 O ATOM 673 CB LYS A 47 2.952 -0.645 -7.859 1.00 0.00 C ATOM 674 CG LYS A 47 3.237 -2.021 -8.436 1.00 0.00 C ATOM 675 CD LYS A 47 3.302 -1.986 -9.954 1.00 0.00 C ATOM 676 CE LYS A 47 4.679 -1.564 -10.444 1.00 0.00 C ATOM 677 NZ LYS A 47 4.988 -2.131 -11.786 1.00 0.00 N ATOM 0 H LYS A 47 1.843 1.360 -6.773 1.00 0.00 H new ATOM 0 HA LYS A 47 1.543 -1.529 -6.498 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.347 -0.081 -8.569 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.893 -0.107 -7.743 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.181 -2.395 -8.039 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.460 -2.717 -8.120 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.059 -2.971 -10.352 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.551 -1.294 -10.335 1.00 0.00 H new ATOM 0 HE2 LYS A 47 4.731 -0.476 -10.489 1.00 0.00 H new ATOM 0 HE3 LYS A 47 5.435 -1.890 -9.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.935 -1.820 -12.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.964 -3.170 -11.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.282 -1.800 -12.474 1.00 0.00 H new ATOM 691 N CYS A 48 2.874 -1.662 -4.386 1.00 0.00 N ATOM 692 CA CYS A 48 3.752 -1.921 -3.250 1.00 0.00 C ATOM 693 C CYS A 48 4.339 -3.327 -3.326 1.00 0.00 C ATOM 694 O CYS A 48 3.929 -4.138 -4.157 1.00 0.00 O ATOM 695 CB CYS A 48 2.988 -1.744 -1.937 1.00 0.00 C ATOM 696 SG CYS A 48 2.113 -0.168 -1.799 1.00 0.00 S ATOM 0 H CYS A 48 1.973 -2.137 -4.340 1.00 0.00 H new ATOM 0 HA CYS A 48 4.571 -1.203 -3.284 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.269 -2.557 -1.835 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.689 -1.832 -1.107 1.00 0.00 H new ATOM 0 HG CYS A 48 1.330 -0.196 -0.762 1.00 0.00 H new ATOM 702 N LEU A 49 5.302 -3.608 -2.455 1.00 0.00 N ATOM 703 CA LEU A 49 5.947 -4.915 -2.423 1.00 0.00 C ATOM 704 C LEU A 49 5.908 -5.509 -1.019 1.00 0.00 C ATOM 705 O LEU A 49 6.380 -4.896 -0.061 1.00 0.00 O ATOM 706 CB LEU A 49 7.396 -4.803 -2.901 1.00 0.00 C ATOM 707 CG LEU A 49 8.208 -6.099 -2.895 1.00 0.00 C ATOM 708 CD1 LEU A 49 8.394 -6.606 -1.473 1.00 0.00 C ATOM 709 CD2 LEU A 49 7.531 -7.155 -3.756 1.00 0.00 C ATOM 0 H LEU A 49 5.653 -2.948 -1.761 1.00 0.00 H new ATOM 0 HA LEU A 49 5.400 -5.578 -3.093 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.393 -4.405 -3.916 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.909 -4.074 -2.274 1.00 0.00 H new ATOM 0 HG LEU A 49 9.192 -5.892 -3.316 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.974 -7.529 -1.489 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.922 -5.855 -0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 49 7.419 -6.798 -1.025 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.122 -8.071 -3.741 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.535 -7.360 -3.364 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.451 -6.792 -4.781 1.00 0.00 H new ATOM 721 N LEU A 50 5.343 -6.706 -0.904 1.00 0.00 N ATOM 722 CA LEU A 50 5.243 -7.384 0.384 1.00 0.00 C ATOM 723 C LEU A 50 5.412 -8.891 0.220 1.00 0.00 C ATOM 724 O LEU A 50 4.775 -9.509 -0.634 1.00 0.00 O ATOM 725 CB LEU A 50 3.896 -7.079 1.040 1.00 0.00 C ATOM 726 CG LEU A 50 3.762 -7.473 2.512 1.00 0.00 C ATOM 727 CD1 LEU A 50 4.412 -6.428 3.405 1.00 0.00 C ATOM 728 CD2 LEU A 50 2.298 -7.657 2.883 1.00 0.00 C ATOM 0 H LEU A 50 4.947 -7.227 -1.687 1.00 0.00 H new ATOM 0 HA LEU A 50 6.044 -7.014 1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.705 -6.009 0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 50 3.116 -7.589 0.475 1.00 0.00 H new ATOM 0 HG LEU A 50 4.277 -8.422 2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.307 -6.725 4.448 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.470 -6.344 3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.926 -5.465 3.251 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.221 -7.937 3.934 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.760 -6.724 2.716 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.862 -8.442 2.265 1.00 0.00 H new ATOM 740 N HIS A 51 6.273 -9.478 1.045 1.00 0.00 N ATOM 741 CA HIS A 51 6.524 -10.914 0.993 1.00 0.00 C ATOM 742 C HIS A 51 6.607 -11.400 -0.451 1.00 0.00 C ATOM 743 O HIS A 51 6.102 -12.471 -0.786 1.00 0.00 O ATOM 744 CB HIS A 51 5.423 -11.673 1.736 1.00 0.00 C ATOM 745 CG HIS A 51 5.611 -11.698 3.222 1.00 0.00 C ATOM 746 ND1 HIS A 51 5.728 -12.866 3.946 1.00 0.00 N ATOM 747 CD2 HIS A 51 5.704 -10.689 4.119 1.00 0.00 C ATOM 748 CE1 HIS A 51 5.883 -12.574 5.225 1.00 0.00 C ATOM 749 NE2 HIS A 51 5.872 -11.260 5.357 1.00 0.00 N ATOM 0 H HIS A 51 6.809 -8.982 1.757 1.00 0.00 H new ATOM 0 HA HIS A 51 7.480 -11.108 1.478 1.00 0.00 H new ATOM 0 HB2 HIS A 51 4.460 -11.216 1.507 1.00 0.00 H new ATOM 0 HB3 HIS A 51 5.386 -12.697 1.365 1.00 0.00 H new ATOM 0 HD2 HIS A 51 5.655 -9.632 3.902 1.00 0.00 H new ATOM 0 HE1 HIS A 51 5.999 -13.288 6.027 1.00 0.00 H new ATOM 0 HE2 HIS A 51 5.972 -10.752 6.236 1.00 0.00 H new ATOM 758 N GLY A 52 7.246 -10.603 -1.302 1.00 0.00 N ATOM 759 CA GLY A 52 7.382 -10.969 -2.700 1.00 0.00 C ATOM 760 C GLY A 52 6.052 -10.989 -3.426 1.00 0.00 C ATOM 761 O GLY A 52 5.739 -11.946 -4.135 1.00 0.00 O ATOM 0 H GLY A 52 7.672 -9.711 -1.049 1.00 0.00 H new ATOM 0 HA2 GLY A 52 8.051 -10.264 -3.193 1.00 0.00 H new ATOM 0 HA3 GLY A 52 7.846 -11.953 -2.771 1.00 0.00 H new ATOM 765 N ARG A 53 5.266 -9.932 -3.249 1.00 0.00 N ATOM 766 CA ARG A 53 3.961 -9.834 -3.890 1.00 0.00 C ATOM 767 C ARG A 53 4.047 -9.021 -5.178 1.00 0.00 C ATOM 768 O ARG A 53 3.693 -9.504 -6.253 1.00 0.00 O ATOM 769 CB ARG A 53 2.947 -9.196 -2.939 1.00 0.00 C ATOM 770 CG ARG A 53 2.360 -10.171 -1.931 1.00 0.00 C ATOM 771 CD ARG A 53 1.292 -11.049 -2.564 1.00 0.00 C ATOM 772 NE ARG A 53 1.020 -12.241 -1.765 1.00 0.00 N ATOM 773 CZ ARG A 53 1.863 -13.262 -1.659 1.00 0.00 C ATOM 774 NH1 ARG A 53 3.026 -13.236 -2.296 1.00 0.00 N ATOM 775 NH2 ARG A 53 1.545 -14.312 -0.913 1.00 0.00 N ATOM 0 H ARG A 53 5.511 -9.131 -2.667 1.00 0.00 H new ATOM 0 HA ARG A 53 3.631 -10.843 -4.138 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.429 -8.378 -2.403 1.00 0.00 H new ATOM 0 HB3 ARG A 53 2.137 -8.760 -3.524 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.154 -10.797 -1.524 1.00 0.00 H new ATOM 0 HG3 ARG A 53 1.930 -9.618 -1.096 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.373 -10.474 -2.682 1.00 0.00 H new ATOM 0 HD3 ARG A 53 1.612 -11.347 -3.562 1.00 0.00 H new ATOM 0 HE ARG A 53 0.135 -12.292 -1.261 1.00 0.00 H new ATOM 0 HH11 ARG A 53 3.275 -12.430 -2.869 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.671 -14.022 -2.212 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.652 -14.336 -0.420 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.193 -15.095 -0.832 1.00 0.00 H new ATOM 789 N GLN A 54 4.520 -7.784 -5.060 1.00 0.00 N ATOM 790 CA GLN A 54 4.652 -6.904 -6.215 1.00 0.00 C ATOM 791 C GLN A 54 3.295 -6.647 -6.861 1.00 0.00 C ATOM 792 O GLN A 54 3.127 -6.823 -8.067 1.00 0.00 O ATOM 793 CB GLN A 54 5.611 -7.512 -7.240 1.00 0.00 C ATOM 794 CG GLN A 54 7.065 -7.132 -7.013 1.00 0.00 C ATOM 795 CD GLN A 54 7.865 -7.090 -8.300 1.00 0.00 C ATOM 796 OE1 GLN A 54 7.682 -7.926 -9.186 1.00 0.00 O ATOM 797 NE2 GLN A 54 8.759 -6.115 -8.411 1.00 0.00 N ATOM 0 H GLN A 54 4.818 -7.369 -4.177 1.00 0.00 H new ATOM 0 HA GLN A 54 5.056 -5.952 -5.870 1.00 0.00 H new ATOM 0 HB2 GLN A 54 5.519 -8.598 -7.212 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.312 -7.193 -8.239 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.110 -6.156 -6.530 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.521 -7.848 -6.329 1.00 0.00 H new ATOM 0 HE21 GLN A 54 8.878 -5.444 -7.653 1.00 0.00 H new ATOM 0 HE22 GLN A 54 9.327 -6.037 -9.255 1.00 0.00 H new ATOM 806 N GLY A 55 2.328 -6.230 -6.050 1.00 0.00 N ATOM 807 CA GLY A 55 0.997 -5.956 -6.561 1.00 0.00 C ATOM 808 C GLY A 55 0.533 -4.547 -6.245 1.00 0.00 C ATOM 809 O GLY A 55 1.256 -3.774 -5.614 1.00 0.00 O ATOM 0 H GLY A 55 2.442 -6.077 -5.048 1.00 0.00 H new ATOM 0 HA2 GLY A 55 0.988 -6.105 -7.641 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.293 -6.671 -6.135 1.00 0.00 H new ATOM 813 N LEU A 56 -0.674 -4.212 -6.684 1.00 0.00 N ATOM 814 CA LEU A 56 -1.234 -2.886 -6.446 1.00 0.00 C ATOM 815 C LEU A 56 -1.992 -2.844 -5.123 1.00 0.00 C ATOM 816 O LEU A 56 -2.313 -3.883 -4.547 1.00 0.00 O ATOM 817 CB LEU A 56 -2.165 -2.490 -7.593 1.00 0.00 C ATOM 818 CG LEU A 56 -1.571 -2.573 -8.999 1.00 0.00 C ATOM 819 CD1 LEU A 56 -2.673 -2.550 -10.047 1.00 0.00 C ATOM 820 CD2 LEU A 56 -0.588 -1.434 -9.231 1.00 0.00 C ATOM 0 H LEU A 56 -1.285 -4.840 -7.207 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.409 -2.175 -6.394 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.048 -3.129 -7.555 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.504 -1.468 -7.423 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.032 -3.516 -9.089 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.231 -2.610 -11.041 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -3.338 -3.400 -9.894 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.241 -1.624 -9.958 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.175 -1.509 -10.237 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.104 -0.480 -9.121 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.220 -1.496 -8.502 1.00 0.00 H new ATOM 832 N ALA A 57 -2.277 -1.636 -4.648 1.00 0.00 N ATOM 833 CA ALA A 57 -3.001 -1.459 -3.395 1.00 0.00 C ATOM 834 C ALA A 57 -3.795 -0.157 -3.399 1.00 0.00 C ATOM 835 O ALA A 57 -3.352 0.866 -3.922 1.00 0.00 O ATOM 836 CB ALA A 57 -2.037 -1.488 -2.219 1.00 0.00 C ATOM 0 H ALA A 57 -2.018 -0.765 -5.112 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.706 -2.284 -3.292 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.592 -1.355 -1.290 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.518 -2.446 -2.197 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.309 -0.684 -2.325 1.00 0.00 H new ATOM 842 N PRO A 58 -4.996 -0.193 -2.804 1.00 0.00 N ATOM 843 CA PRO A 58 -5.876 0.977 -2.726 1.00 0.00 C ATOM 844 C PRO A 58 -5.334 2.049 -1.787 1.00 0.00 C ATOM 845 O PRO A 58 -5.339 1.879 -0.568 1.00 0.00 O ATOM 846 CB PRO A 58 -7.185 0.400 -2.180 1.00 0.00 C ATOM 847 CG PRO A 58 -6.777 -0.821 -1.429 1.00 0.00 C ATOM 848 CD PRO A 58 -5.587 -1.378 -2.161 1.00 0.00 C ATOM 0 HA PRO A 58 -5.982 1.472 -3.691 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.692 1.114 -1.530 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.877 0.156 -2.986 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -6.522 -0.578 -0.397 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.589 -1.547 -1.394 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -4.884 -1.858 -1.479 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -5.882 -2.128 -2.895 1.00 0.00 H new ATOM 856 N ALA A 59 -4.869 3.152 -2.362 1.00 0.00 N ATOM 857 CA ALA A 59 -4.326 4.253 -1.576 1.00 0.00 C ATOM 858 C ALA A 59 -5.332 4.733 -0.535 1.00 0.00 C ATOM 859 O ALA A 59 -4.980 5.462 0.391 1.00 0.00 O ATOM 860 CB ALA A 59 -3.917 5.401 -2.487 1.00 0.00 C ATOM 0 H ALA A 59 -4.857 3.307 -3.370 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.443 3.890 -1.049 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.513 6.216 -1.886 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.157 5.056 -3.188 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.787 5.754 -3.040 1.00 0.00 H new ATOM 866 N ASN A 60 -6.585 4.320 -0.696 1.00 0.00 N ATOM 867 CA ASN A 60 -7.643 4.710 0.229 1.00 0.00 C ATOM 868 C ASN A 60 -7.464 4.022 1.580 1.00 0.00 C ATOM 869 O ASN A 60 -7.970 4.493 2.599 1.00 0.00 O ATOM 870 CB ASN A 60 -9.013 4.363 -0.355 1.00 0.00 C ATOM 871 CG ASN A 60 -10.154 4.880 0.500 1.00 0.00 C ATOM 872 OD1 ASN A 60 -10.796 5.874 0.162 1.00 0.00 O ATOM 873 ND2 ASN A 60 -10.411 4.205 1.615 1.00 0.00 N ATOM 0 H ASN A 60 -6.892 3.716 -1.458 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.582 5.788 0.379 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.095 4.783 -1.357 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.099 3.281 -0.455 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.167 4.506 2.230 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.853 3.386 1.856 1.00 0.00 H new ATOM 880 N ARG A 61 -6.742 2.907 1.579 1.00 0.00 N ATOM 881 CA ARG A 61 -6.497 2.154 2.803 1.00 0.00 C ATOM 882 C ARG A 61 -5.037 2.270 3.230 1.00 0.00 C ATOM 883 O ARG A 61 -4.665 1.852 4.328 1.00 0.00 O ATOM 884 CB ARG A 61 -6.867 0.683 2.605 1.00 0.00 C ATOM 885 CG ARG A 61 -8.116 0.476 1.764 1.00 0.00 C ATOM 886 CD ARG A 61 -8.847 -0.798 2.156 1.00 0.00 C ATOM 887 NE ARG A 61 -9.840 -0.559 3.200 1.00 0.00 N ATOM 888 CZ ARG A 61 -11.078 -0.141 2.956 1.00 0.00 C ATOM 889 NH1 ARG A 61 -11.471 0.082 1.709 1.00 0.00 N ATOM 890 NH2 ARG A 61 -11.924 0.053 3.959 1.00 0.00 N ATOM 0 H ARG A 61 -6.316 2.505 0.744 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.122 2.576 3.590 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.031 0.168 2.132 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.016 0.220 3.581 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.782 1.330 1.884 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.843 0.430 0.710 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -9.338 -1.219 1.279 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.126 -1.538 2.504 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.569 -0.722 4.170 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -10.823 -0.067 0.936 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.421 0.403 1.523 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.625 -0.119 4.919 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -12.874 0.374 3.770 1.00 0.00 H new ATOM 904 N LEU A 62 -4.214 2.839 2.356 1.00 0.00 N ATOM 905 CA LEU A 62 -2.794 3.010 2.642 1.00 0.00 C ATOM 906 C LEU A 62 -2.494 4.439 3.081 1.00 0.00 C ATOM 907 O LEU A 62 -2.847 5.396 2.392 1.00 0.00 O ATOM 908 CB LEU A 62 -1.959 2.657 1.409 1.00 0.00 C ATOM 909 CG LEU A 62 -1.774 1.165 1.129 1.00 0.00 C ATOM 910 CD1 LEU A 62 -1.167 0.466 2.335 1.00 0.00 C ATOM 911 CD2 LEU A 62 -3.101 0.525 0.751 1.00 0.00 C ATOM 0 H LEU A 62 -4.506 3.190 1.444 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.530 2.337 3.458 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.424 3.115 0.536 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.974 3.110 1.520 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.088 1.055 0.289 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.043 -0.595 2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.195 0.906 2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.827 0.585 3.195 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.950 -0.537 0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.810 0.646 1.570 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.495 1.006 -0.144 1.00 0.00 H new ATOM 923 N GLN A 63 -1.841 4.576 4.230 1.00 0.00 N ATOM 924 CA GLN A 63 -1.493 5.889 4.759 1.00 0.00 C ATOM 925 C GLN A 63 -0.038 6.231 4.454 1.00 0.00 C ATOM 926 O GLN A 63 0.862 5.425 4.692 1.00 0.00 O ATOM 927 CB GLN A 63 -1.734 5.935 6.269 1.00 0.00 C ATOM 928 CG GLN A 63 -1.764 7.344 6.838 1.00 0.00 C ATOM 929 CD GLN A 63 -3.153 7.949 6.826 1.00 0.00 C ATOM 930 OE1 GLN A 63 -4.119 7.307 6.413 1.00 0.00 O ATOM 931 NE2 GLN A 63 -3.261 9.193 7.279 1.00 0.00 N ATOM 0 H GLN A 63 -1.542 3.794 4.812 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.131 6.628 4.274 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -2.680 5.442 6.493 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.951 5.366 6.771 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.388 7.327 7.861 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.091 7.979 6.262 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.434 9.688 7.612 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.171 9.653 7.294 1.00 0.00 H new ATOM 940 N ILE A 64 0.184 7.430 3.926 1.00 0.00 N ATOM 941 CA ILE A 64 1.530 7.878 3.589 1.00 0.00 C ATOM 942 C ILE A 64 2.221 8.500 4.798 1.00 0.00 C ATOM 943 O ILE A 64 1.859 9.591 5.241 1.00 0.00 O ATOM 944 CB ILE A 64 1.511 8.902 2.440 1.00 0.00 C ATOM 945 CG1 ILE A 64 0.823 8.308 1.209 1.00 0.00 C ATOM 946 CG2 ILE A 64 2.927 9.343 2.100 1.00 0.00 C ATOM 947 CD1 ILE A 64 1.575 7.146 0.599 1.00 0.00 C ATOM 0 H ILE A 64 -0.550 8.108 3.722 1.00 0.00 H new ATOM 0 HA ILE A 64 2.085 6.996 3.270 1.00 0.00 H new ATOM 0 HB ILE A 64 0.946 9.777 2.762 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.178 7.977 1.486 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.704 9.088 0.457 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.897 10.067 1.286 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.386 9.801 2.976 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.514 8.477 1.794 1.00 0.00 H new ATOM 0 HD11 ILE A 64 1.030 6.775 -0.269 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.567 7.476 0.290 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.671 6.348 1.335 1.00 0.00 H new ATOM 959 N LEU A 65 3.218 7.800 5.327 1.00 0.00 N ATOM 960 CA LEU A 65 3.963 8.284 6.485 1.00 0.00 C ATOM 961 C LEU A 65 5.148 9.140 6.051 1.00 0.00 C ATOM 962 O LEU A 65 5.852 8.806 5.098 1.00 0.00 O ATOM 963 CB LEU A 65 4.451 7.107 7.331 1.00 0.00 C ATOM 964 CG LEU A 65 3.369 6.165 7.859 1.00 0.00 C ATOM 965 CD1 LEU A 65 3.993 4.902 8.432 1.00 0.00 C ATOM 966 CD2 LEU A 65 2.518 6.865 8.908 1.00 0.00 C ATOM 0 H LEU A 65 3.530 6.896 4.973 1.00 0.00 H new ATOM 0 HA LEU A 65 3.294 8.901 7.085 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.153 6.524 6.735 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.007 7.502 8.181 1.00 0.00 H new ATOM 0 HG LEU A 65 2.724 5.881 7.027 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.207 4.244 8.803 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.558 4.390 7.653 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.662 5.166 9.251 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.753 6.179 9.273 1.00 0.00 H new ATOM 0 HD22 LEU A 65 3.150 7.179 9.739 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.040 7.739 8.465 1.00 0.00 H new