USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 645 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 77 SER OG : rot 180:sc= 1.06 USER MOD Set 1.2: A 86 SER OG : rot -79:sc= 1.19 USER MOD Set 2.1: A 56 GLN : amide:sc= 0.165 X(o=0.15,f=-0.011) USER MOD Set 2.2: A 61 CYS SG : rot 130:sc= -0.0107 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.0508 K(o=-0.051,f=-5.7!) USER MOD Single : A 20 MET CE :methyl -163:sc= -1.84! (180deg=-2.75!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 63:sc= 0.0744 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 CYS SG : rot 60:sc= -1.35 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 70 MET CE :methyl -151:sc= -0.492 (180deg=-0.966) USER MOD Single : A 73 ASN : amide:sc= -8.85! C(o=-8.8!,f=-8.7!) USER MOD Single : A 76 TYR OH : rot -22:sc= 1.21 USER MOD Single : A 78 CYS SG : rot 98:sc= 1.6 USER MOD Single : A 80 CYS SG : rot -52:sc= -3.04 USER MOD Single : A 82 GLN : amide:sc= -0.0154 K(o=-0.015,f=-1) USER MOD Single : A 85 THR OG1 : rot 130:sc= 0.0522 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 8 7.446 15.521 -4.282 1.00 0.00 N ATOM 67 CA ALA A 8 6.772 15.539 -2.989 1.00 0.00 C ATOM 68 C ALA A 8 7.527 14.698 -1.965 1.00 0.00 C ATOM 69 O ALA A 8 8.479 13.995 -2.306 1.00 0.00 O ATOM 70 CB ALA A 8 5.342 15.041 -3.132 1.00 0.00 C ATOM 0 HA ALA A 8 6.752 16.569 -2.632 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.851 15.060 -2.159 1.00 0.00 H new ATOM 0 HB2 ALA A 8 4.800 15.685 -3.824 1.00 0.00 H new ATOM 0 HB3 ALA A 8 5.349 14.021 -3.515 1.00 0.00 H new ATOM 76 N ARG A 9 7.098 14.776 -0.710 1.00 0.00 N ATOM 77 CA ARG A 9 7.735 14.024 0.364 1.00 0.00 C ATOM 78 C ARG A 9 6.696 13.276 1.194 1.00 0.00 C ATOM 79 O ARG A 9 5.543 13.697 1.291 1.00 0.00 O ATOM 80 CB ARG A 9 8.543 14.961 1.263 1.00 0.00 C ATOM 81 CG ARG A 9 7.723 16.097 1.852 1.00 0.00 C ATOM 82 CD ARG A 9 8.432 16.743 3.032 1.00 0.00 C ATOM 83 NE ARG A 9 7.489 17.285 4.007 1.00 0.00 N ATOM 84 CZ ARG A 9 7.778 18.287 4.830 1.00 0.00 C ATOM 85 NH1 ARG A 9 8.976 18.855 4.794 1.00 0.00 N ATOM 86 NH2 ARG A 9 6.867 18.725 5.690 1.00 0.00 N ATOM 0 H ARG A 9 6.311 15.353 -0.412 1.00 0.00 H new ATOM 0 HA ARG A 9 8.408 13.295 -0.087 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.982 14.382 2.075 1.00 0.00 H new ATOM 0 HB3 ARG A 9 9.369 15.380 0.688 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.535 16.847 1.084 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.752 15.718 2.172 1.00 0.00 H new ATOM 0 HD2 ARG A 9 9.072 16.007 3.518 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.081 17.542 2.672 1.00 0.00 H new ATOM 0 HE ARG A 9 6.558 16.872 4.059 1.00 0.00 H new ATOM 0 HH11 ARG A 9 9.678 18.523 4.133 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.195 19.624 5.427 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.944 18.292 5.720 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.090 19.494 6.321 1.00 0.00 H new ATOM 100 N PHE A 10 7.113 12.164 1.791 1.00 0.00 N ATOM 101 CA PHE A 10 6.218 11.356 2.612 1.00 0.00 C ATOM 102 C PHE A 10 6.065 11.959 4.005 1.00 0.00 C ATOM 103 O PHE A 10 6.889 11.724 4.890 1.00 0.00 O ATOM 104 CB PHE A 10 6.744 9.923 2.719 1.00 0.00 C ATOM 105 CG PHE A 10 6.417 9.074 1.524 1.00 0.00 C ATOM 106 CD1 PHE A 10 5.141 8.561 1.351 1.00 0.00 C ATOM 107 CD2 PHE A 10 7.384 8.788 0.574 1.00 0.00 C ATOM 108 CE1 PHE A 10 4.838 7.778 0.254 1.00 0.00 C ATOM 109 CE2 PHE A 10 7.086 8.007 -0.526 1.00 0.00 C ATOM 110 CZ PHE A 10 5.811 7.502 -0.687 1.00 0.00 C ATOM 0 H PHE A 10 8.064 11.802 1.722 1.00 0.00 H new ATOM 0 HA PHE A 10 5.239 11.342 2.132 1.00 0.00 H new ATOM 0 HB2 PHE A 10 7.826 9.950 2.850 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.326 9.457 3.611 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.375 8.776 2.082 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.383 9.180 0.695 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.841 7.382 0.132 1.00 0.00 H new ATOM 0 HE2 PHE A 10 7.849 7.792 -1.259 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.575 6.893 -1.547 1.00 0.00 H new ATOM 120 N THR A 11 5.005 12.738 4.194 1.00 0.00 N ATOM 121 CA THR A 11 4.744 13.377 5.477 1.00 0.00 C ATOM 122 C THR A 11 3.973 12.447 6.407 1.00 0.00 C ATOM 123 O THR A 11 4.020 12.597 7.628 1.00 0.00 O ATOM 124 CB THR A 11 3.950 14.685 5.303 1.00 0.00 C ATOM 125 OG1 THR A 11 3.633 15.240 6.584 1.00 0.00 O ATOM 126 CG2 THR A 11 2.669 14.440 4.520 1.00 0.00 C ATOM 0 H THR A 11 4.312 12.942 3.473 1.00 0.00 H new ATOM 0 HA THR A 11 5.714 13.606 5.919 1.00 0.00 H new ATOM 0 HB THR A 11 4.569 15.388 4.746 1.00 0.00 H new ATOM 0 HG1 THR A 11 3.130 16.072 6.464 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.125 15.378 4.410 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.915 14.045 3.534 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.048 13.721 5.054 1.00 0.00 H new ATOM 134 N GLU A 12 3.263 11.488 5.822 1.00 0.00 N ATOM 135 CA GLU A 12 2.481 10.534 6.600 1.00 0.00 C ATOM 136 C GLU A 12 3.145 9.160 6.602 1.00 0.00 C ATOM 137 O GLU A 12 3.242 8.506 7.640 1.00 0.00 O ATOM 138 CB GLU A 12 1.062 10.426 6.039 1.00 0.00 C ATOM 139 CG GLU A 12 0.100 11.452 6.615 1.00 0.00 C ATOM 140 CD GLU A 12 -0.057 11.324 8.118 1.00 0.00 C ATOM 141 OE1 GLU A 12 0.727 11.960 8.853 1.00 0.00 O ATOM 142 OE2 GLU A 12 -0.964 10.588 8.559 1.00 0.00 O ATOM 0 H GLU A 12 3.213 11.351 4.813 1.00 0.00 H new ATOM 0 HA GLU A 12 2.431 10.896 7.627 1.00 0.00 H new ATOM 0 HB2 GLU A 12 1.099 10.543 4.956 1.00 0.00 H new ATOM 0 HB3 GLU A 12 0.676 9.426 6.239 1.00 0.00 H new ATOM 0 HG2 GLU A 12 0.456 12.454 6.374 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.875 11.338 6.140 1.00 0.00 H new ATOM 149 N GLY A 13 3.600 8.727 5.430 1.00 0.00 N ATOM 150 CA GLY A 13 4.248 7.433 5.317 1.00 0.00 C ATOM 151 C GLY A 13 3.254 6.289 5.272 1.00 0.00 C ATOM 152 O GLY A 13 2.042 6.509 5.290 1.00 0.00 O ATOM 0 H GLY A 13 3.531 9.249 4.557 1.00 0.00 H new ATOM 0 HA2 GLY A 13 4.860 7.414 4.415 1.00 0.00 H new ATOM 0 HA3 GLY A 13 4.921 7.292 6.162 1.00 0.00 H new ATOM 156 N LEU A 14 3.767 5.065 5.210 1.00 0.00 N ATOM 157 CA LEU A 14 2.916 3.881 5.160 1.00 0.00 C ATOM 158 C LEU A 14 2.873 3.184 6.516 1.00 0.00 C ATOM 159 O LEU A 14 3.851 3.197 7.263 1.00 0.00 O ATOM 160 CB LEU A 14 3.420 2.911 4.090 1.00 0.00 C ATOM 161 CG LEU A 14 2.896 3.144 2.673 1.00 0.00 C ATOM 162 CD1 LEU A 14 3.810 2.484 1.651 1.00 0.00 C ATOM 163 CD2 LEU A 14 1.474 2.619 2.537 1.00 0.00 C ATOM 0 H LEU A 14 4.767 4.867 5.193 1.00 0.00 H new ATOM 0 HA LEU A 14 1.906 4.200 4.904 1.00 0.00 H new ATOM 0 HB2 LEU A 14 4.509 2.961 4.066 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.154 1.898 4.392 1.00 0.00 H new ATOM 0 HG LEU A 14 2.886 4.217 2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.421 2.660 0.648 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.811 2.907 1.732 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.853 1.411 1.840 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.117 2.793 1.522 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.459 1.550 2.748 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.826 3.137 3.243 1.00 0.00 H new ATOM 175 N ARG A 15 1.734 2.573 6.826 1.00 0.00 N ATOM 176 CA ARG A 15 1.564 1.869 8.091 1.00 0.00 C ATOM 177 C ARG A 15 1.402 0.369 7.861 1.00 0.00 C ATOM 178 O ARG A 15 0.947 -0.061 6.802 1.00 0.00 O ATOM 179 CB ARG A 15 0.349 2.414 8.843 1.00 0.00 C ATOM 180 CG ARG A 15 0.521 3.847 9.321 1.00 0.00 C ATOM 181 CD ARG A 15 -0.822 4.532 9.521 1.00 0.00 C ATOM 182 NE ARG A 15 -1.515 4.043 10.709 1.00 0.00 N ATOM 183 CZ ARG A 15 -2.439 4.740 11.361 1.00 0.00 C ATOM 184 NH1 ARG A 15 -2.778 5.952 10.941 1.00 0.00 N ATOM 185 NH2 ARG A 15 -3.026 4.227 12.434 1.00 0.00 N ATOM 0 H ARG A 15 0.915 2.551 6.218 1.00 0.00 H new ATOM 0 HA ARG A 15 2.458 2.033 8.692 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -0.524 2.359 8.193 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.148 1.775 9.703 1.00 0.00 H new ATOM 0 HG2 ARG A 15 1.078 3.855 10.258 1.00 0.00 H new ATOM 0 HG3 ARG A 15 1.111 4.406 8.595 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -0.671 5.608 9.607 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -1.447 4.367 8.643 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.277 3.115 11.058 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -2.329 6.350 10.116 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -3.488 6.486 11.443 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -2.768 3.296 12.760 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -3.735 4.764 12.933 1.00 0.00 H new ATOM 199 N ASN A 16 1.779 -0.422 8.860 1.00 0.00 N ATOM 200 CA ASN A 16 1.677 -1.874 8.767 1.00 0.00 C ATOM 201 C ASN A 16 0.273 -2.294 8.342 1.00 0.00 C ATOM 202 O ASN A 16 -0.715 -1.674 8.733 1.00 0.00 O ATOM 203 CB ASN A 16 2.031 -2.518 10.109 1.00 0.00 C ATOM 204 CG ASN A 16 1.374 -1.813 11.280 1.00 0.00 C ATOM 205 OD1 ASN A 16 1.441 -0.589 11.399 1.00 0.00 O ATOM 206 ND2 ASN A 16 0.735 -2.584 12.152 1.00 0.00 N ATOM 0 H ASN A 16 2.158 -0.082 9.744 1.00 0.00 H new ATOM 0 HA ASN A 16 2.384 -2.216 8.011 1.00 0.00 H new ATOM 0 HB2 ASN A 16 1.724 -3.564 10.099 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.113 -2.505 10.241 1.00 0.00 H new ATOM 0 HD21 ASN A 16 0.274 -2.166 12.960 1.00 0.00 H new ATOM 0 HD22 ASN A 16 0.705 -3.594 12.014 1.00 0.00 H new ATOM 213 N GLU A 17 0.195 -3.351 7.540 1.00 0.00 N ATOM 214 CA GLU A 17 -1.088 -3.854 7.063 1.00 0.00 C ATOM 215 C GLU A 17 -1.204 -5.358 7.296 1.00 0.00 C ATOM 216 O GLU A 17 -0.214 -6.085 7.222 1.00 0.00 O ATOM 217 CB GLU A 17 -1.261 -3.542 5.575 1.00 0.00 C ATOM 218 CG GLU A 17 -2.700 -3.636 5.097 1.00 0.00 C ATOM 219 CD GLU A 17 -3.533 -2.441 5.517 1.00 0.00 C ATOM 220 OE1 GLU A 17 -3.099 -1.707 6.429 1.00 0.00 O ATOM 221 OE2 GLU A 17 -4.619 -2.239 4.933 1.00 0.00 O ATOM 0 H GLU A 17 1.004 -3.875 7.207 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.877 -3.355 7.626 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.886 -2.538 5.377 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.648 -4.231 4.994 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.713 -3.720 4.010 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.152 -4.546 5.492 1.00 0.00 H new ATOM 228 N GLU A 18 -2.420 -5.815 7.578 1.00 0.00 N ATOM 229 CA GLU A 18 -2.664 -7.232 7.823 1.00 0.00 C ATOM 230 C GLU A 18 -3.962 -7.682 7.159 1.00 0.00 C ATOM 231 O GLU A 18 -4.959 -6.961 7.168 1.00 0.00 O ATOM 232 CB GLU A 18 -2.725 -7.509 9.326 1.00 0.00 C ATOM 233 CG GLU A 18 -3.064 -8.950 9.666 1.00 0.00 C ATOM 234 CD GLU A 18 -4.541 -9.255 9.507 1.00 0.00 C ATOM 235 OE1 GLU A 18 -5.361 -8.564 10.148 1.00 0.00 O ATOM 236 OE2 GLU A 18 -4.877 -10.184 8.743 1.00 0.00 O ATOM 0 H GLU A 18 -3.250 -5.226 7.642 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.839 -7.797 7.390 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.764 -7.256 9.773 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.469 -6.853 9.778 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.488 -9.616 9.024 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.762 -9.158 10.693 1.00 0.00 H new ATOM 243 N ALA A 19 -3.941 -8.880 6.583 1.00 0.00 N ATOM 244 CA ALA A 19 -5.115 -9.428 5.916 1.00 0.00 C ATOM 245 C ALA A 19 -5.098 -10.952 5.938 1.00 0.00 C ATOM 246 O ALA A 19 -4.130 -11.565 6.389 1.00 0.00 O ATOM 247 CB ALA A 19 -5.194 -8.920 4.484 1.00 0.00 C ATOM 0 H ALA A 19 -3.123 -9.489 6.565 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.999 -9.093 6.458 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.076 -9.338 3.998 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.262 -7.832 4.487 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.301 -9.226 3.940 1.00 0.00 H new ATOM 253 N MET A 20 -6.175 -11.559 5.450 1.00 0.00 N ATOM 254 CA MET A 20 -6.282 -13.013 5.414 1.00 0.00 C ATOM 255 C MET A 20 -5.967 -13.547 4.020 1.00 0.00 C ATOM 256 O MET A 20 -6.177 -12.860 3.021 1.00 0.00 O ATOM 257 CB MET A 20 -7.685 -13.453 5.836 1.00 0.00 C ATOM 258 CG MET A 20 -7.877 -13.508 7.343 1.00 0.00 C ATOM 259 SD MET A 20 -9.199 -14.632 7.834 1.00 0.00 S ATOM 260 CE MET A 20 -8.256 -16.083 8.294 1.00 0.00 C ATOM 0 H MET A 20 -6.986 -11.067 5.074 1.00 0.00 H new ATOM 0 HA MET A 20 -5.554 -13.423 6.114 1.00 0.00 H new ATOM 0 HB2 MET A 20 -8.416 -12.766 5.410 1.00 0.00 H new ATOM 0 HB3 MET A 20 -7.890 -14.438 5.416 1.00 0.00 H new ATOM 0 HG2 MET A 20 -6.945 -13.822 7.813 1.00 0.00 H new ATOM 0 HG3 MET A 20 -8.100 -12.507 7.714 1.00 0.00 H new ATOM 0 HE1 MET A 20 -8.916 -16.950 8.329 1.00 0.00 H new ATOM 0 HE2 MET A 20 -7.470 -16.255 7.558 1.00 0.00 H new ATOM 0 HE3 MET A 20 -7.807 -15.929 9.275 1.00 0.00 H new ATOM 270 N GLU A 21 -5.461 -14.775 3.962 1.00 0.00 N ATOM 271 CA GLU A 21 -5.117 -15.399 2.690 1.00 0.00 C ATOM 272 C GLU A 21 -6.265 -15.274 1.694 1.00 0.00 C ATOM 273 O GLU A 21 -7.313 -15.898 1.856 1.00 0.00 O ATOM 274 CB GLU A 21 -4.766 -16.874 2.899 1.00 0.00 C ATOM 275 CG GLU A 21 -4.447 -17.612 1.610 1.00 0.00 C ATOM 276 CD GLU A 21 -4.230 -19.097 1.826 1.00 0.00 C ATOM 277 OE1 GLU A 21 -3.205 -19.465 2.438 1.00 0.00 O ATOM 278 OE2 GLU A 21 -5.086 -19.892 1.383 1.00 0.00 O ATOM 0 H GLU A 21 -5.280 -15.357 4.780 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.249 -14.880 2.283 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.909 -16.943 3.569 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.600 -17.370 3.395 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.263 -17.467 0.902 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.553 -17.180 1.160 1.00 0.00 H new ATOM 285 N GLY A 22 -6.060 -14.461 0.662 1.00 0.00 N ATOM 286 CA GLY A 22 -7.086 -14.267 -0.346 1.00 0.00 C ATOM 287 C GLY A 22 -7.652 -12.861 -0.334 1.00 0.00 C ATOM 288 O GLY A 22 -7.937 -12.291 -1.387 1.00 0.00 O ATOM 0 H GLY A 22 -5.201 -13.933 0.506 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.669 -14.479 -1.330 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.893 -14.981 -0.181 1.00 0.00 H new ATOM 292 N ALA A 23 -7.816 -12.301 0.859 1.00 0.00 N ATOM 293 CA ALA A 23 -8.351 -10.953 1.003 1.00 0.00 C ATOM 294 C ALA A 23 -7.646 -9.979 0.065 1.00 0.00 C ATOM 295 O ALA A 23 -6.604 -10.298 -0.509 1.00 0.00 O ATOM 296 CB ALA A 23 -8.223 -10.485 2.446 1.00 0.00 C ATOM 0 H ALA A 23 -7.586 -12.760 1.740 1.00 0.00 H new ATOM 0 HA ALA A 23 -9.407 -10.977 0.733 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.627 -9.477 2.539 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.778 -11.159 3.098 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.172 -10.483 2.736 1.00 0.00 H new ATOM 302 N THR A 24 -8.220 -8.790 -0.087 1.00 0.00 N ATOM 303 CA THR A 24 -7.648 -7.770 -0.958 1.00 0.00 C ATOM 304 C THR A 24 -6.896 -6.718 -0.151 1.00 0.00 C ATOM 305 O THR A 24 -7.500 -5.804 0.410 1.00 0.00 O ATOM 306 CB THR A 24 -8.735 -7.076 -1.800 1.00 0.00 C ATOM 307 OG1 THR A 24 -9.389 -8.033 -2.641 1.00 0.00 O ATOM 308 CG2 THR A 24 -8.133 -5.970 -2.654 1.00 0.00 C ATOM 0 H THR A 24 -9.081 -8.509 0.382 1.00 0.00 H new ATOM 0 HA THR A 24 -6.952 -8.278 -1.626 1.00 0.00 H new ATOM 0 HB THR A 24 -9.463 -6.633 -1.120 1.00 0.00 H new ATOM 0 HG1 THR A 24 -10.080 -7.584 -3.172 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.919 -5.494 -3.240 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.661 -5.228 -2.009 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.386 -6.394 -3.325 1.00 0.00 H new ATOM 316 N ALA A 25 -5.575 -6.852 -0.097 1.00 0.00 N ATOM 317 CA ALA A 25 -4.741 -5.910 0.639 1.00 0.00 C ATOM 318 C ALA A 25 -4.940 -4.486 0.130 1.00 0.00 C ATOM 319 O ALA A 25 -4.810 -4.218 -1.065 1.00 0.00 O ATOM 320 CB ALA A 25 -3.277 -6.309 0.535 1.00 0.00 C ATOM 0 H ALA A 25 -5.059 -7.604 -0.554 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.041 -5.939 1.686 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.666 -5.597 1.089 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.141 -7.306 0.953 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -2.974 -6.310 -0.512 1.00 0.00 H new ATOM 326 N THR A 26 -5.258 -3.575 1.045 1.00 0.00 N ATOM 327 CA THR A 26 -5.477 -2.179 0.689 1.00 0.00 C ATOM 328 C THR A 26 -4.632 -1.251 1.554 1.00 0.00 C ATOM 329 O THR A 26 -4.916 -1.060 2.737 1.00 0.00 O ATOM 330 CB THR A 26 -6.960 -1.788 0.834 1.00 0.00 C ATOM 331 OG1 THR A 26 -7.773 -2.637 0.015 1.00 0.00 O ATOM 332 CG2 THR A 26 -7.178 -0.335 0.440 1.00 0.00 C ATOM 0 H THR A 26 -5.369 -3.780 2.038 1.00 0.00 H new ATOM 0 HA THR A 26 -5.180 -2.069 -0.354 1.00 0.00 H new ATOM 0 HB THR A 26 -7.245 -1.911 1.879 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.688 -3.565 0.320 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.233 -0.082 0.551 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.581 0.310 1.084 1.00 0.00 H new ATOM 0 HG23 THR A 26 -6.877 -0.190 -0.598 1.00 0.00 H new ATOM 340 N LEU A 27 -3.593 -0.677 0.958 1.00 0.00 N ATOM 341 CA LEU A 27 -2.706 0.232 1.675 1.00 0.00 C ATOM 342 C LEU A 27 -3.138 1.682 1.478 1.00 0.00 C ATOM 343 O LEU A 27 -4.005 1.975 0.655 1.00 0.00 O ATOM 344 CB LEU A 27 -1.264 0.049 1.201 1.00 0.00 C ATOM 345 CG LEU A 27 -0.541 -1.196 1.717 1.00 0.00 C ATOM 346 CD1 LEU A 27 0.489 -1.673 0.705 1.00 0.00 C ATOM 347 CD2 LEU A 27 0.119 -0.912 3.058 1.00 0.00 C ATOM 0 H LEU A 27 -3.344 -0.825 -0.020 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.765 -0.005 2.737 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.262 0.021 0.111 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.691 0.927 1.498 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.277 -1.988 1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.993 -2.560 1.089 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.009 -1.917 -0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.222 -0.885 0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.629 -1.809 3.410 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.842 -0.105 2.944 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.641 -0.618 3.782 1.00 0.00 H new ATOM 359 N GLN A 28 -2.525 2.585 2.237 1.00 0.00 N ATOM 360 CA GLN A 28 -2.845 4.004 2.144 1.00 0.00 C ATOM 361 C GLN A 28 -1.691 4.858 2.658 1.00 0.00 C ATOM 362 O GLN A 28 -0.985 4.469 3.590 1.00 0.00 O ATOM 363 CB GLN A 28 -4.117 4.315 2.937 1.00 0.00 C ATOM 364 CG GLN A 28 -4.636 5.728 2.724 1.00 0.00 C ATOM 365 CD GLN A 28 -5.615 6.157 3.799 1.00 0.00 C ATOM 366 OE1 GLN A 28 -5.326 7.050 4.596 1.00 0.00 O ATOM 367 NE2 GLN A 28 -6.781 5.523 3.826 1.00 0.00 N ATOM 0 H GLN A 28 -1.804 2.359 2.923 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.011 4.244 1.094 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -4.894 3.605 2.654 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -3.919 4.166 3.998 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.795 6.421 2.706 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.121 5.790 1.750 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.978 4.789 3.146 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -7.480 5.770 4.527 1.00 0.00 H new ATOM 376 N CYS A 29 -1.503 6.021 2.045 1.00 0.00 N ATOM 377 CA CYS A 29 -0.433 6.930 2.440 1.00 0.00 C ATOM 378 C CYS A 29 -0.703 8.342 1.932 1.00 0.00 C ATOM 379 O CYS A 29 -1.306 8.527 0.876 1.00 0.00 O ATOM 380 CB CYS A 29 0.911 6.431 1.905 1.00 0.00 C ATOM 381 SG CYS A 29 0.922 6.104 0.127 1.00 0.00 S ATOM 0 H CYS A 29 -2.078 6.357 1.272 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.396 6.957 3.529 1.00 0.00 H new ATOM 0 HB2 CYS A 29 1.678 7.172 2.132 1.00 0.00 H new ATOM 0 HB3 CYS A 29 1.184 5.517 2.433 1.00 0.00 H new ATOM 0 HG CYS A 29 0.634 7.196 -0.517 1.00 0.00 H new ATOM 387 N GLU A 30 -0.254 9.335 2.694 1.00 0.00 N ATOM 388 CA GLU A 30 -0.451 10.731 2.322 1.00 0.00 C ATOM 389 C GLU A 30 0.879 11.396 1.978 1.00 0.00 C ATOM 390 O GLU A 30 1.911 11.093 2.580 1.00 0.00 O ATOM 391 CB GLU A 30 -1.136 11.494 3.458 1.00 0.00 C ATOM 392 CG GLU A 30 -1.946 12.689 2.987 1.00 0.00 C ATOM 393 CD GLU A 30 -3.124 12.990 3.894 1.00 0.00 C ATOM 394 OE1 GLU A 30 -2.988 12.804 5.121 1.00 0.00 O ATOM 395 OE2 GLU A 30 -4.179 13.411 3.377 1.00 0.00 O ATOM 0 H GLU A 30 0.248 9.199 3.571 1.00 0.00 H new ATOM 0 HA GLU A 30 -1.090 10.757 1.439 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.792 10.812 3.999 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.379 11.835 4.164 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -1.299 13.564 2.936 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.309 12.502 1.976 1.00 0.00 H new ATOM 402 N LEU A 31 0.848 12.301 1.007 1.00 0.00 N ATOM 403 CA LEU A 31 2.051 13.009 0.582 1.00 0.00 C ATOM 404 C LEU A 31 1.860 14.519 0.686 1.00 0.00 C ATOM 405 O LEU A 31 0.733 15.014 0.669 1.00 0.00 O ATOM 406 CB LEU A 31 2.411 12.626 -0.855 1.00 0.00 C ATOM 407 CG LEU A 31 2.772 11.159 -1.088 1.00 0.00 C ATOM 408 CD1 LEU A 31 2.482 10.760 -2.527 1.00 0.00 C ATOM 409 CD2 LEU A 31 4.233 10.908 -0.747 1.00 0.00 C ATOM 0 H LEU A 31 0.003 12.562 0.499 1.00 0.00 H new ATOM 0 HA LEU A 31 2.867 12.719 1.244 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.569 12.879 -1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.252 13.241 -1.174 1.00 0.00 H new ATOM 0 HG LEU A 31 2.156 10.545 -0.431 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.745 9.713 -2.674 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.422 10.901 -2.737 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.071 11.380 -3.202 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.472 9.858 -0.919 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.866 11.532 -1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.410 11.153 0.300 1.00 0.00 H new ATOM 421 N SER A 32 2.968 15.245 0.790 1.00 0.00 N ATOM 422 CA SER A 32 2.923 16.698 0.898 1.00 0.00 C ATOM 423 C SER A 32 1.955 17.289 -0.123 1.00 0.00 C ATOM 424 O SER A 32 1.238 18.247 0.165 1.00 0.00 O ATOM 425 CB SER A 32 4.319 17.290 0.694 1.00 0.00 C ATOM 426 OG SER A 32 4.293 18.703 0.788 1.00 0.00 O ATOM 0 H SER A 32 3.909 14.850 0.802 1.00 0.00 H new ATOM 0 HA SER A 32 2.571 16.952 1.898 1.00 0.00 H new ATOM 0 HB2 SER A 32 5.002 16.885 1.441 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.703 16.995 -0.282 1.00 0.00 H new ATOM 0 HG SER A 32 5.197 19.056 0.656 1.00 0.00 H new ATOM 432 N LYS A 33 1.939 16.709 -1.319 1.00 0.00 N ATOM 433 CA LYS A 33 1.059 17.174 -2.384 1.00 0.00 C ATOM 434 C LYS A 33 0.894 16.105 -3.459 1.00 0.00 C ATOM 435 O LYS A 33 1.854 15.429 -3.828 1.00 0.00 O ATOM 436 CB LYS A 33 1.613 18.458 -3.007 1.00 0.00 C ATOM 437 CG LYS A 33 3.027 18.313 -3.543 1.00 0.00 C ATOM 438 CD LYS A 33 3.506 19.594 -4.206 1.00 0.00 C ATOM 439 CE LYS A 33 5.019 19.727 -4.133 1.00 0.00 C ATOM 440 NZ LYS A 33 5.466 20.253 -2.813 1.00 0.00 N ATOM 0 H LYS A 33 2.526 15.915 -1.575 1.00 0.00 H new ATOM 0 HA LYS A 33 0.081 17.381 -1.949 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.956 18.771 -3.819 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.596 19.251 -2.260 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.701 18.050 -2.728 1.00 0.00 H new ATOM 0 HG3 LYS A 33 3.062 17.495 -4.262 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.189 19.606 -5.249 1.00 0.00 H new ATOM 0 HD3 LYS A 33 3.040 20.452 -3.721 1.00 0.00 H new ATOM 0 HE2 LYS A 33 5.478 18.755 -4.311 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.364 20.392 -4.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.503 20.329 -2.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.048 21.192 -2.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.159 19.605 -2.059 1.00 0.00 H new ATOM 454 N ALA A 34 -0.328 15.960 -3.960 1.00 0.00 N ATOM 455 CA ALA A 34 -0.617 14.976 -4.996 1.00 0.00 C ATOM 456 C ALA A 34 0.537 14.866 -5.986 1.00 0.00 C ATOM 457 O ALA A 34 0.858 15.825 -6.688 1.00 0.00 O ATOM 458 CB ALA A 34 -1.905 15.336 -5.721 1.00 0.00 C ATOM 0 H ALA A 34 -1.134 16.511 -3.665 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.743 14.006 -4.516 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.109 14.593 -6.492 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.730 15.356 -5.009 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.801 16.318 -6.182 1.00 0.00 H new ATOM 464 N ALA A 35 1.157 13.692 -6.037 1.00 0.00 N ATOM 465 CA ALA A 35 2.274 13.457 -6.943 1.00 0.00 C ATOM 466 C ALA A 35 2.372 11.983 -7.324 1.00 0.00 C ATOM 467 O ALA A 35 1.950 11.096 -6.582 1.00 0.00 O ATOM 468 CB ALA A 35 3.575 13.927 -6.309 1.00 0.00 C ATOM 0 H ALA A 35 0.905 12.889 -5.461 1.00 0.00 H new ATOM 0 HA ALA A 35 2.098 14.030 -7.853 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.401 13.746 -6.996 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.510 14.993 -6.093 1.00 0.00 H new ATOM 0 HB3 ALA A 35 3.747 13.379 -5.383 1.00 0.00 H new ATOM 474 N PRO A 36 2.942 11.714 -8.508 1.00 0.00 N ATOM 475 CA PRO A 36 3.108 10.348 -9.014 1.00 0.00 C ATOM 476 C PRO A 36 4.147 9.559 -8.224 1.00 0.00 C ATOM 477 O PRO A 36 5.267 10.026 -8.014 1.00 0.00 O ATOM 478 CB PRO A 36 3.579 10.558 -10.455 1.00 0.00 C ATOM 479 CG PRO A 36 4.225 11.900 -10.450 1.00 0.00 C ATOM 480 CD PRO A 36 3.468 12.721 -9.444 1.00 0.00 C ATOM 0 HA PRO A 36 2.188 9.769 -8.932 1.00 0.00 H new ATOM 0 HB2 PRO A 36 4.281 9.782 -10.759 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.743 10.523 -11.154 1.00 0.00 H new ATOM 0 HG2 PRO A 36 5.278 11.825 -10.179 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.182 12.357 -11.438 1.00 0.00 H new ATOM 0 HD2 PRO A 36 4.117 13.438 -8.940 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.666 13.292 -9.913 1.00 0.00 H new ATOM 488 N VAL A 37 3.769 8.362 -7.788 1.00 0.00 N ATOM 489 CA VAL A 37 4.669 7.508 -7.022 1.00 0.00 C ATOM 490 C VAL A 37 4.607 6.065 -7.513 1.00 0.00 C ATOM 491 O VAL A 37 3.589 5.623 -8.042 1.00 0.00 O ATOM 492 CB VAL A 37 4.333 7.542 -5.520 1.00 0.00 C ATOM 493 CG1 VAL A 37 4.423 8.963 -4.985 1.00 0.00 C ATOM 494 CG2 VAL A 37 2.951 6.957 -5.270 1.00 0.00 C ATOM 0 H VAL A 37 2.845 7.961 -7.952 1.00 0.00 H new ATOM 0 HA VAL A 37 5.677 7.897 -7.170 1.00 0.00 H new ATOM 0 HB VAL A 37 5.063 6.932 -4.988 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.182 8.967 -3.922 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.434 9.343 -5.130 1.00 0.00 H new ATOM 0 HG13 VAL A 37 3.717 9.598 -5.520 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.730 6.989 -4.203 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.206 7.539 -5.813 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.926 5.923 -5.615 1.00 0.00 H new ATOM 504 N GLU A 38 5.705 5.337 -7.332 1.00 0.00 N ATOM 505 CA GLU A 38 5.775 3.944 -7.757 1.00 0.00 C ATOM 506 C GLU A 38 5.809 3.009 -6.551 1.00 0.00 C ATOM 507 O GLU A 38 6.308 3.371 -5.485 1.00 0.00 O ATOM 508 CB GLU A 38 7.011 3.715 -8.629 1.00 0.00 C ATOM 509 CG GLU A 38 8.320 3.774 -7.858 1.00 0.00 C ATOM 510 CD GLU A 38 9.494 4.171 -8.731 1.00 0.00 C ATOM 511 OE1 GLU A 38 9.436 5.255 -9.348 1.00 0.00 O ATOM 512 OE2 GLU A 38 10.472 3.397 -8.796 1.00 0.00 O ATOM 0 H GLU A 38 6.557 5.688 -6.895 1.00 0.00 H new ATOM 0 HA GLU A 38 4.882 3.723 -8.341 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.928 2.742 -9.114 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.031 4.465 -9.420 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.223 4.487 -7.039 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.518 2.800 -7.410 1.00 0.00 H new ATOM 519 N TRP A 39 5.276 1.806 -6.728 1.00 0.00 N ATOM 520 CA TRP A 39 5.245 0.818 -5.655 1.00 0.00 C ATOM 521 C TRP A 39 6.133 -0.376 -5.988 1.00 0.00 C ATOM 522 O TRP A 39 6.226 -0.788 -7.145 1.00 0.00 O ATOM 523 CB TRP A 39 3.810 0.349 -5.408 1.00 0.00 C ATOM 524 CG TRP A 39 2.913 1.432 -4.889 1.00 0.00 C ATOM 525 CD1 TRP A 39 2.439 2.508 -5.584 1.00 0.00 C ATOM 526 CD2 TRP A 39 2.383 1.543 -3.563 1.00 0.00 C ATOM 527 NE1 TRP A 39 1.647 3.281 -4.770 1.00 0.00 N ATOM 528 CE2 TRP A 39 1.596 2.711 -3.526 1.00 0.00 C ATOM 529 CE3 TRP A 39 2.496 0.769 -2.405 1.00 0.00 C ATOM 530 CZ2 TRP A 39 0.928 3.121 -2.375 1.00 0.00 C ATOM 531 CZ3 TRP A 39 1.832 1.178 -1.264 1.00 0.00 C ATOM 532 CH2 TRP A 39 1.055 2.344 -1.256 1.00 0.00 C ATOM 0 H TRP A 39 4.859 1.491 -7.604 1.00 0.00 H new ATOM 0 HA TRP A 39 5.627 1.289 -4.749 1.00 0.00 H new ATOM 0 HB2 TRP A 39 3.397 -0.040 -6.339 1.00 0.00 H new ATOM 0 HB3 TRP A 39 3.822 -0.476 -4.695 1.00 0.00 H new ATOM 0 HD1 TRP A 39 2.655 2.720 -6.621 1.00 0.00 H new ATOM 0 HE1 TRP A 39 1.173 4.141 -5.047 1.00 0.00 H new ATOM 0 HE3 TRP A 39 3.091 -0.132 -2.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 0.331 4.021 -2.366 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 1.913 0.589 -0.363 1.00 0.00 H new ATOM 0 HH2 TRP A 39 0.546 2.635 -0.349 1.00 0.00 H new ATOM 543 N ARG A 40 6.782 -0.927 -4.968 1.00 0.00 N ATOM 544 CA ARG A 40 7.664 -2.073 -5.154 1.00 0.00 C ATOM 545 C ARG A 40 7.552 -3.041 -3.979 1.00 0.00 C ATOM 546 O ARG A 40 7.734 -2.655 -2.824 1.00 0.00 O ATOM 547 CB ARG A 40 9.113 -1.610 -5.311 1.00 0.00 C ATOM 548 CG ARG A 40 9.333 -0.694 -6.504 1.00 0.00 C ATOM 549 CD ARG A 40 10.812 -0.540 -6.822 1.00 0.00 C ATOM 550 NE ARG A 40 11.493 0.318 -5.856 1.00 0.00 N ATOM 551 CZ ARG A 40 12.814 0.440 -5.784 1.00 0.00 C ATOM 552 NH1 ARG A 40 13.592 -0.237 -6.618 1.00 0.00 N ATOM 553 NH2 ARG A 40 13.359 1.241 -4.878 1.00 0.00 N ATOM 0 H ARG A 40 6.714 -0.599 -4.005 1.00 0.00 H new ATOM 0 HA ARG A 40 7.356 -2.592 -6.062 1.00 0.00 H new ATOM 0 HB2 ARG A 40 9.420 -1.091 -4.403 1.00 0.00 H new ATOM 0 HB3 ARG A 40 9.756 -2.484 -5.411 1.00 0.00 H new ATOM 0 HG2 ARG A 40 8.813 -1.096 -7.373 1.00 0.00 H new ATOM 0 HG3 ARG A 40 8.900 0.285 -6.297 1.00 0.00 H new ATOM 0 HD2 ARG A 40 11.285 -1.522 -6.831 1.00 0.00 H new ATOM 0 HD3 ARG A 40 10.926 -0.122 -7.822 1.00 0.00 H new ATOM 0 HE ARG A 40 10.923 0.853 -5.201 1.00 0.00 H new ATOM 0 HH11 ARG A 40 13.176 -0.853 -7.317 1.00 0.00 H new ATOM 0 HH12 ARG A 40 14.606 -0.142 -6.561 1.00 0.00 H new ATOM 0 HH21 ARG A 40 12.764 1.764 -4.236 1.00 0.00 H new ATOM 0 HH22 ARG A 40 14.373 1.334 -4.824 1.00 0.00 H new ATOM 567 N LYS A 41 7.253 -4.299 -4.282 1.00 0.00 N ATOM 568 CA LYS A 41 7.117 -5.323 -3.253 1.00 0.00 C ATOM 569 C LYS A 41 8.483 -5.859 -2.836 1.00 0.00 C ATOM 570 O LYS A 41 8.655 -7.062 -2.639 1.00 0.00 O ATOM 571 CB LYS A 41 6.239 -6.470 -3.757 1.00 0.00 C ATOM 572 CG LYS A 41 6.842 -7.227 -4.928 1.00 0.00 C ATOM 573 CD LYS A 41 6.087 -8.517 -5.205 1.00 0.00 C ATOM 574 CE LYS A 41 6.450 -9.601 -4.202 1.00 0.00 C ATOM 575 NZ LYS A 41 6.270 -10.966 -4.771 1.00 0.00 N ATOM 0 H LYS A 41 7.100 -4.635 -5.233 1.00 0.00 H new ATOM 0 HA LYS A 41 6.643 -4.868 -2.383 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.060 -7.167 -2.938 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.269 -6.071 -4.054 1.00 0.00 H new ATOM 0 HG2 LYS A 41 6.826 -6.597 -5.817 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.887 -7.454 -4.717 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.014 -8.328 -5.166 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.313 -8.863 -6.214 1.00 0.00 H new ATOM 0 HE2 LYS A 41 7.486 -9.472 -3.887 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.831 -9.494 -3.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.528 -11.677 -4.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.276 -11.098 -5.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.880 -11.077 -5.606 1.00 0.00 H new ATOM 589 N GLY A 42 9.452 -4.959 -2.702 1.00 0.00 N ATOM 590 CA GLY A 42 10.790 -5.361 -2.309 1.00 0.00 C ATOM 591 C GLY A 42 11.746 -5.424 -3.483 1.00 0.00 C ATOM 592 O GLY A 42 12.098 -4.396 -4.062 1.00 0.00 O ATOM 0 H GLY A 42 9.334 -3.958 -2.859 1.00 0.00 H new ATOM 0 HA2 GLY A 42 11.174 -4.659 -1.569 1.00 0.00 H new ATOM 0 HA3 GLY A 42 10.746 -6.338 -1.828 1.00 0.00 H new ATOM 596 N LEU A 43 12.168 -6.633 -3.836 1.00 0.00 N ATOM 597 CA LEU A 43 13.091 -6.827 -4.949 1.00 0.00 C ATOM 598 C LEU A 43 12.334 -6.987 -6.263 1.00 0.00 C ATOM 599 O LEU A 43 12.681 -7.828 -7.092 1.00 0.00 O ATOM 600 CB LEU A 43 13.970 -8.054 -4.701 1.00 0.00 C ATOM 601 CG LEU A 43 15.044 -7.903 -3.623 1.00 0.00 C ATOM 602 CD1 LEU A 43 14.418 -7.936 -2.237 1.00 0.00 C ATOM 603 CD2 LEU A 43 16.096 -8.994 -3.761 1.00 0.00 C ATOM 0 H LEU A 43 11.886 -7.494 -3.368 1.00 0.00 H new ATOM 0 HA LEU A 43 13.724 -5.943 -5.021 1.00 0.00 H new ATOM 0 HB2 LEU A 43 13.325 -8.889 -4.428 1.00 0.00 H new ATOM 0 HB3 LEU A 43 14.459 -8.321 -5.638 1.00 0.00 H new ATOM 0 HG LEU A 43 15.531 -6.937 -3.756 1.00 0.00 H new ATOM 0 HD11 LEU A 43 15.198 -7.827 -1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 43 13.704 -7.118 -2.141 1.00 0.00 H new ATOM 0 HD13 LEU A 43 13.904 -8.886 -2.093 1.00 0.00 H new ATOM 0 HD21 LEU A 43 16.852 -8.871 -2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 43 15.624 -9.971 -3.655 1.00 0.00 H new ATOM 0 HD23 LEU A 43 16.567 -8.923 -4.741 1.00 0.00 H new ATOM 615 N GLU A 44 11.298 -6.174 -6.447 1.00 0.00 N ATOM 616 CA GLU A 44 10.493 -6.225 -7.661 1.00 0.00 C ATOM 617 C GLU A 44 9.881 -4.861 -7.967 1.00 0.00 C ATOM 618 O GLU A 44 9.716 -4.029 -7.075 1.00 0.00 O ATOM 619 CB GLU A 44 9.386 -7.273 -7.522 1.00 0.00 C ATOM 620 CG GLU A 44 8.554 -7.450 -8.781 1.00 0.00 C ATOM 621 CD GLU A 44 7.665 -8.677 -8.724 1.00 0.00 C ATOM 622 OE1 GLU A 44 8.176 -9.791 -8.966 1.00 0.00 O ATOM 623 OE2 GLU A 44 6.459 -8.524 -8.439 1.00 0.00 O ATOM 0 H GLU A 44 10.997 -5.472 -5.771 1.00 0.00 H new ATOM 0 HA GLU A 44 11.147 -6.504 -8.487 1.00 0.00 H new ATOM 0 HB2 GLU A 44 9.835 -8.230 -7.256 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.729 -6.989 -6.700 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.936 -6.565 -8.931 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.217 -7.526 -9.643 1.00 0.00 H new ATOM 630 N ALA A 45 9.547 -4.640 -9.234 1.00 0.00 N ATOM 631 CA ALA A 45 8.953 -3.378 -9.658 1.00 0.00 C ATOM 632 C ALA A 45 7.497 -3.568 -10.069 1.00 0.00 C ATOM 633 O ALA A 45 7.207 -3.975 -11.195 1.00 0.00 O ATOM 634 CB ALA A 45 9.752 -2.776 -10.804 1.00 0.00 C ATOM 0 H ALA A 45 9.678 -5.318 -9.985 1.00 0.00 H new ATOM 0 HA ALA A 45 8.979 -2.691 -8.812 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.296 -1.834 -11.110 1.00 0.00 H new ATOM 0 HB2 ALA A 45 10.776 -2.595 -10.478 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.757 -3.467 -11.647 1.00 0.00 H new ATOM 640 N LEU A 46 6.584 -3.272 -9.150 1.00 0.00 N ATOM 641 CA LEU A 46 5.157 -3.411 -9.417 1.00 0.00 C ATOM 642 C LEU A 46 4.685 -2.362 -10.419 1.00 0.00 C ATOM 643 O LEU A 46 5.440 -1.465 -10.794 1.00 0.00 O ATOM 644 CB LEU A 46 4.360 -3.286 -8.117 1.00 0.00 C ATOM 645 CG LEU A 46 4.792 -4.206 -6.974 1.00 0.00 C ATOM 646 CD1 LEU A 46 4.173 -3.752 -5.662 1.00 0.00 C ATOM 647 CD2 LEU A 46 4.411 -5.647 -7.277 1.00 0.00 C ATOM 0 H LEU A 46 6.807 -2.934 -8.214 1.00 0.00 H new ATOM 0 HA LEU A 46 4.988 -4.398 -9.846 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.426 -2.254 -7.771 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.311 -3.482 -8.337 1.00 0.00 H new ATOM 0 HG LEU A 46 5.876 -4.152 -6.878 1.00 0.00 H new ATOM 0 HD11 LEU A 46 4.491 -4.418 -4.860 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.497 -2.735 -5.439 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.086 -3.777 -5.745 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.726 -6.288 -6.453 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.330 -5.719 -7.400 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.903 -5.968 -8.195 1.00 0.00 H new ATOM 659 N ARG A 47 3.432 -2.479 -10.845 1.00 0.00 N ATOM 660 CA ARG A 47 2.859 -1.540 -11.802 1.00 0.00 C ATOM 661 C ARG A 47 1.340 -1.488 -11.671 1.00 0.00 C ATOM 662 O ARG A 47 0.730 -2.366 -11.060 1.00 0.00 O ATOM 663 CB ARG A 47 3.245 -1.934 -13.229 1.00 0.00 C ATOM 664 CG ARG A 47 4.655 -1.519 -13.616 1.00 0.00 C ATOM 665 CD ARG A 47 4.846 -1.530 -15.124 1.00 0.00 C ATOM 666 NE ARG A 47 6.216 -1.198 -15.505 1.00 0.00 N ATOM 667 CZ ARG A 47 6.596 -0.973 -16.758 1.00 0.00 C ATOM 668 NH1 ARG A 47 5.714 -1.044 -17.745 1.00 0.00 N ATOM 669 NH2 ARG A 47 7.861 -0.675 -17.026 1.00 0.00 N ATOM 0 H ARG A 47 2.794 -3.215 -10.543 1.00 0.00 H new ATOM 0 HA ARG A 47 3.259 -0.550 -11.584 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.151 -3.015 -13.336 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.538 -1.482 -13.925 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.860 -0.521 -13.230 1.00 0.00 H new ATOM 0 HG3 ARG A 47 5.374 -2.194 -13.152 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.590 -2.515 -15.515 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.160 -0.817 -15.581 1.00 0.00 H new ATOM 0 HE ARG A 47 6.920 -1.135 -14.769 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.740 -1.272 -17.544 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.009 -0.871 -18.706 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.543 -0.618 -16.270 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.151 -0.503 -17.988 1.00 0.00 H new ATOM 683 N ASP A 48 0.737 -0.455 -12.247 1.00 0.00 N ATOM 684 CA ASP A 48 -0.711 -0.289 -12.195 1.00 0.00 C ATOM 685 C ASP A 48 -1.382 -0.999 -13.367 1.00 0.00 C ATOM 686 O ASP A 48 -1.166 -0.647 -14.526 1.00 0.00 O ATOM 687 CB ASP A 48 -1.076 1.197 -12.207 1.00 0.00 C ATOM 688 CG ASP A 48 -1.000 1.801 -13.595 1.00 0.00 C ATOM 689 OD1 ASP A 48 0.127 1.989 -14.100 1.00 0.00 O ATOM 690 OD2 ASP A 48 -2.068 2.085 -14.177 1.00 0.00 O ATOM 0 H ASP A 48 1.228 0.280 -12.756 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.070 -0.737 -11.268 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -2.085 1.323 -11.814 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -0.404 1.738 -11.541 1.00 0.00 H new ATOM 695 N GLY A 49 -2.197 -2.003 -13.056 1.00 0.00 N ATOM 696 CA GLY A 49 -2.886 -2.748 -14.093 1.00 0.00 C ATOM 697 C GLY A 49 -3.984 -3.634 -13.539 1.00 0.00 C ATOM 698 O GLY A 49 -4.763 -3.208 -12.686 1.00 0.00 O ATOM 0 H GLY A 49 -2.392 -2.313 -12.104 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -3.315 -2.051 -14.813 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.166 -3.362 -14.634 1.00 0.00 H new ATOM 702 N ASP A 50 -4.048 -4.868 -14.025 1.00 0.00 N ATOM 703 CA ASP A 50 -5.059 -5.817 -13.573 1.00 0.00 C ATOM 704 C ASP A 50 -4.705 -6.374 -12.198 1.00 0.00 C ATOM 705 O ASP A 50 -5.514 -6.330 -11.271 1.00 0.00 O ATOM 706 CB ASP A 50 -5.202 -6.960 -14.580 1.00 0.00 C ATOM 707 CG ASP A 50 -3.862 -7.478 -15.062 1.00 0.00 C ATOM 708 OD1 ASP A 50 -3.343 -6.941 -16.063 1.00 0.00 O ATOM 709 OD2 ASP A 50 -3.331 -8.420 -14.438 1.00 0.00 O ATOM 0 H ASP A 50 -3.412 -5.235 -14.732 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.010 -5.289 -13.497 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.760 -7.776 -14.122 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -5.784 -6.616 -15.435 1.00 0.00 H new ATOM 714 N LYS A 51 -3.492 -6.901 -12.073 1.00 0.00 N ATOM 715 CA LYS A 51 -3.029 -7.467 -10.812 1.00 0.00 C ATOM 716 C LYS A 51 -3.098 -6.433 -9.693 1.00 0.00 C ATOM 717 O LYS A 51 -3.778 -6.637 -8.687 1.00 0.00 O ATOM 718 CB LYS A 51 -1.596 -7.983 -10.956 1.00 0.00 C ATOM 719 CG LYS A 51 -1.013 -8.529 -9.664 1.00 0.00 C ATOM 720 CD LYS A 51 -1.392 -9.986 -9.453 1.00 0.00 C ATOM 721 CE LYS A 51 -0.956 -10.482 -8.083 1.00 0.00 C ATOM 722 NZ LYS A 51 -1.077 -11.962 -7.965 1.00 0.00 N ATOM 0 H LYS A 51 -2.811 -6.948 -12.831 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.684 -8.299 -10.555 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.575 -8.766 -11.714 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.962 -7.173 -11.317 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.073 -8.434 -9.685 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -1.369 -7.934 -8.823 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.471 -10.101 -9.556 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -0.930 -10.599 -10.227 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.077 -10.186 -7.902 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.564 -10.005 -7.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.770 -12.261 -7.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -2.068 -12.242 -8.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.478 -12.418 -8.682 1.00 0.00 H new ATOM 736 N TYR A 52 -2.393 -5.323 -9.875 1.00 0.00 N ATOM 737 CA TYR A 52 -2.373 -4.257 -8.881 1.00 0.00 C ATOM 738 C TYR A 52 -3.201 -3.063 -9.346 1.00 0.00 C ATOM 739 O TYR A 52 -3.198 -2.713 -10.526 1.00 0.00 O ATOM 740 CB TYR A 52 -0.935 -3.817 -8.601 1.00 0.00 C ATOM 741 CG TYR A 52 -0.029 -4.948 -8.169 1.00 0.00 C ATOM 742 CD1 TYR A 52 0.032 -5.346 -6.839 1.00 0.00 C ATOM 743 CD2 TYR A 52 0.766 -5.619 -9.091 1.00 0.00 C ATOM 744 CE1 TYR A 52 0.859 -6.378 -6.440 1.00 0.00 C ATOM 745 CE2 TYR A 52 1.594 -6.653 -8.700 1.00 0.00 C ATOM 746 CZ TYR A 52 1.637 -7.029 -7.374 1.00 0.00 C ATOM 747 OH TYR A 52 2.462 -8.058 -6.981 1.00 0.00 O ATOM 0 H TYR A 52 -1.827 -5.138 -10.703 1.00 0.00 H new ATOM 0 HA TYR A 52 -2.812 -4.645 -7.962 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.524 -3.356 -9.499 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.943 -3.052 -7.825 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.577 -4.840 -6.105 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.736 -5.327 -10.130 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.896 -6.673 -5.402 1.00 0.00 H new ATOM 0 HE2 TYR A 52 2.205 -7.165 -9.429 1.00 0.00 H new ATOM 0 HH TYR A 52 2.940 -8.410 -7.761 1.00 0.00 H new ATOM 757 N SER A 53 -3.908 -2.440 -8.408 1.00 0.00 N ATOM 758 CA SER A 53 -4.743 -1.286 -8.721 1.00 0.00 C ATOM 759 C SER A 53 -4.299 -0.062 -7.925 1.00 0.00 C ATOM 760 O SER A 53 -4.457 -0.009 -6.705 1.00 0.00 O ATOM 761 CB SER A 53 -6.211 -1.597 -8.422 1.00 0.00 C ATOM 762 OG SER A 53 -6.842 -2.197 -9.540 1.00 0.00 O ATOM 0 H SER A 53 -3.919 -2.715 -7.426 1.00 0.00 H new ATOM 0 HA SER A 53 -4.634 -1.067 -9.783 1.00 0.00 H new ATOM 0 HB2 SER A 53 -6.277 -2.263 -7.562 1.00 0.00 H new ATOM 0 HB3 SER A 53 -6.734 -0.679 -8.155 1.00 0.00 H new ATOM 0 HG SER A 53 -7.779 -2.388 -9.324 1.00 0.00 H new ATOM 768 N LEU A 54 -3.742 0.920 -8.625 1.00 0.00 N ATOM 769 CA LEU A 54 -3.274 2.145 -7.986 1.00 0.00 C ATOM 770 C LEU A 54 -4.284 3.273 -8.165 1.00 0.00 C ATOM 771 O LEU A 54 -4.508 3.749 -9.278 1.00 0.00 O ATOM 772 CB LEU A 54 -1.920 2.561 -8.565 1.00 0.00 C ATOM 773 CG LEU A 54 -0.694 1.869 -7.968 1.00 0.00 C ATOM 774 CD1 LEU A 54 -0.714 1.963 -6.451 1.00 0.00 C ATOM 775 CD2 LEU A 54 -0.632 0.416 -8.414 1.00 0.00 C ATOM 0 H LEU A 54 -3.603 0.892 -9.635 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.162 1.949 -6.920 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.933 2.372 -9.638 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.806 3.637 -8.432 1.00 0.00 H new ATOM 0 HG LEU A 54 0.199 2.378 -8.331 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.166 1.465 -6.044 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -0.709 3.011 -6.151 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.613 1.480 -6.068 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.247 -0.061 -7.980 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.529 -0.105 -8.081 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.569 0.372 -9.501 1.00 0.00 H new ATOM 787 N ARG A 55 -4.891 3.698 -7.062 1.00 0.00 N ATOM 788 CA ARG A 55 -5.877 4.771 -7.097 1.00 0.00 C ATOM 789 C ARG A 55 -5.628 5.776 -5.975 1.00 0.00 C ATOM 790 O ARG A 55 -5.965 5.525 -4.819 1.00 0.00 O ATOM 791 CB ARG A 55 -7.290 4.198 -6.977 1.00 0.00 C ATOM 792 CG ARG A 55 -8.370 5.261 -6.850 1.00 0.00 C ATOM 793 CD ARG A 55 -8.631 5.951 -8.180 1.00 0.00 C ATOM 794 NE ARG A 55 -9.576 5.206 -9.007 1.00 0.00 N ATOM 795 CZ ARG A 55 -10.895 5.297 -8.881 1.00 0.00 C ATOM 796 NH1 ARG A 55 -11.422 6.097 -7.965 1.00 0.00 N ATOM 797 NH2 ARG A 55 -11.689 4.586 -9.671 1.00 0.00 N ATOM 0 H ARG A 55 -4.717 3.315 -6.133 1.00 0.00 H new ATOM 0 HA ARG A 55 -5.781 5.287 -8.052 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -7.499 3.583 -7.852 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -7.334 3.542 -6.108 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -9.291 4.804 -6.489 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -8.069 6.001 -6.108 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.020 6.953 -7.998 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -7.691 6.067 -8.719 1.00 0.00 H new ATOM 0 HE ARG A 55 -9.202 4.581 -9.721 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.814 6.644 -7.355 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -12.435 6.166 -7.870 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -11.287 3.969 -10.376 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.702 4.657 -9.573 1.00 0.00 H new ATOM 811 N GLN A 56 -5.034 6.912 -6.327 1.00 0.00 N ATOM 812 CA GLN A 56 -4.738 7.953 -5.349 1.00 0.00 C ATOM 813 C GLN A 56 -5.806 9.041 -5.374 1.00 0.00 C ATOM 814 O GLN A 56 -6.699 9.030 -6.222 1.00 0.00 O ATOM 815 CB GLN A 56 -3.364 8.564 -5.624 1.00 0.00 C ATOM 816 CG GLN A 56 -3.299 9.361 -6.917 1.00 0.00 C ATOM 817 CD GLN A 56 -2.175 10.378 -6.921 1.00 0.00 C ATOM 818 OE1 GLN A 56 -2.407 11.576 -7.085 1.00 0.00 O ATOM 819 NE2 GLN A 56 -0.948 9.904 -6.739 1.00 0.00 N ATOM 0 H GLN A 56 -4.749 7.135 -7.281 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.733 7.497 -4.359 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -3.092 9.214 -4.792 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -2.622 7.766 -5.661 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -3.167 8.676 -7.755 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.248 9.874 -7.071 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -0.802 8.903 -6.607 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -0.151 10.541 -6.731 1.00 0.00 H new ATOM 828 N ASP A 57 -5.708 9.980 -4.439 1.00 0.00 N ATOM 829 CA ASP A 57 -6.666 11.077 -4.354 1.00 0.00 C ATOM 830 C ASP A 57 -6.171 12.156 -3.396 1.00 0.00 C ATOM 831 O ASP A 57 -5.784 11.867 -2.265 1.00 0.00 O ATOM 832 CB ASP A 57 -8.029 10.557 -3.896 1.00 0.00 C ATOM 833 CG ASP A 57 -7.911 9.420 -2.901 1.00 0.00 C ATOM 834 OD1 ASP A 57 -7.553 8.300 -3.320 1.00 0.00 O ATOM 835 OD2 ASP A 57 -8.178 9.650 -1.702 1.00 0.00 O ATOM 0 H ASP A 57 -4.975 10.004 -3.730 1.00 0.00 H new ATOM 0 HA ASP A 57 -6.768 11.516 -5.346 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -8.593 11.373 -3.445 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.596 10.219 -4.764 1.00 0.00 H new ATOM 840 N GLY A 58 -6.187 13.403 -3.858 1.00 0.00 N ATOM 841 CA GLY A 58 -5.736 14.507 -3.030 1.00 0.00 C ATOM 842 C GLY A 58 -4.519 14.150 -2.201 1.00 0.00 C ATOM 843 O GLY A 58 -4.534 14.278 -0.977 1.00 0.00 O ATOM 0 H GLY A 58 -6.504 13.668 -4.790 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.501 15.361 -3.665 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.545 14.815 -2.368 1.00 0.00 H new ATOM 847 N ALA A 59 -3.461 13.700 -2.868 1.00 0.00 N ATOM 848 CA ALA A 59 -2.230 13.324 -2.184 1.00 0.00 C ATOM 849 C ALA A 59 -2.453 12.123 -1.272 1.00 0.00 C ATOM 850 O ALA A 59 -1.844 12.018 -0.208 1.00 0.00 O ATOM 851 CB ALA A 59 -1.688 14.502 -1.388 1.00 0.00 C ATOM 0 H ALA A 59 -3.432 13.587 -3.881 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.496 13.041 -2.938 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.769 14.207 -0.882 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.481 15.333 -2.063 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.426 14.811 -0.648 1.00 0.00 H new ATOM 857 N VAL A 60 -3.332 11.220 -1.695 1.00 0.00 N ATOM 858 CA VAL A 60 -3.636 10.026 -0.915 1.00 0.00 C ATOM 859 C VAL A 60 -3.657 8.784 -1.799 1.00 0.00 C ATOM 860 O VAL A 60 -4.689 8.436 -2.374 1.00 0.00 O ATOM 861 CB VAL A 60 -4.992 10.154 -0.197 1.00 0.00 C ATOM 862 CG1 VAL A 60 -5.190 9.006 0.781 1.00 0.00 C ATOM 863 CG2 VAL A 60 -5.092 11.495 0.516 1.00 0.00 C ATOM 0 H VAL A 60 -3.846 11.292 -2.573 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.847 9.926 -0.169 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.785 10.104 -0.944 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.154 9.114 1.279 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.164 8.059 0.241 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.394 9.021 1.525 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.057 11.569 1.018 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.292 11.576 1.252 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.999 12.302 -0.211 1.00 0.00 H new ATOM 873 N CYS A 61 -2.512 8.118 -1.902 1.00 0.00 N ATOM 874 CA CYS A 61 -2.398 6.913 -2.716 1.00 0.00 C ATOM 875 C CYS A 61 -3.052 5.723 -2.021 1.00 0.00 C ATOM 876 O CYS A 61 -3.108 5.665 -0.793 1.00 0.00 O ATOM 877 CB CYS A 61 -0.929 6.606 -3.007 1.00 0.00 C ATOM 878 SG CYS A 61 -0.039 7.955 -3.817 1.00 0.00 S ATOM 0 H CYS A 61 -1.649 8.392 -1.432 1.00 0.00 H new ATOM 0 HA CYS A 61 -2.917 7.090 -3.658 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -0.427 6.365 -2.070 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -0.872 5.718 -3.637 1.00 0.00 H new ATOM 0 HG CYS A 61 1.068 8.190 -3.177 1.00 0.00 H new ATOM 884 N GLU A 62 -3.545 4.778 -2.814 1.00 0.00 N ATOM 885 CA GLU A 62 -4.197 3.591 -2.274 1.00 0.00 C ATOM 886 C GLU A 62 -3.992 2.391 -3.194 1.00 0.00 C ATOM 887 O GLU A 62 -4.582 2.313 -4.273 1.00 0.00 O ATOM 888 CB GLU A 62 -5.693 3.848 -2.078 1.00 0.00 C ATOM 889 CG GLU A 62 -6.424 2.700 -1.401 1.00 0.00 C ATOM 890 CD GLU A 62 -7.730 3.135 -0.765 1.00 0.00 C ATOM 891 OE1 GLU A 62 -7.686 3.716 0.340 1.00 0.00 O ATOM 892 OE2 GLU A 62 -8.794 2.894 -1.371 1.00 0.00 O ATOM 0 H GLU A 62 -3.505 4.811 -3.833 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.744 3.367 -1.308 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.823 4.752 -1.483 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.151 4.037 -3.049 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.624 1.919 -2.134 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.780 2.264 -0.638 1.00 0.00 H new ATOM 899 N LEU A 63 -3.151 1.458 -2.761 1.00 0.00 N ATOM 900 CA LEU A 63 -2.867 0.261 -3.545 1.00 0.00 C ATOM 901 C LEU A 63 -3.848 -0.857 -3.208 1.00 0.00 C ATOM 902 O LEU A 63 -4.305 -0.971 -2.071 1.00 0.00 O ATOM 903 CB LEU A 63 -1.433 -0.209 -3.293 1.00 0.00 C ATOM 904 CG LEU A 63 -1.100 -1.626 -3.760 1.00 0.00 C ATOM 905 CD1 LEU A 63 -1.052 -1.690 -5.278 1.00 0.00 C ATOM 906 CD2 LEU A 63 0.222 -2.087 -3.162 1.00 0.00 C ATOM 0 H LEU A 63 -2.654 1.507 -1.872 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.981 0.512 -4.600 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.752 0.484 -3.787 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.233 -0.144 -2.223 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.886 -2.297 -3.414 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.814 -2.706 -5.592 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.021 -1.402 -5.685 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.287 -1.007 -5.647 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.444 -3.098 -3.505 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.019 -1.414 -3.478 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.151 -2.080 -2.074 1.00 0.00 H new ATOM 918 N GLN A 64 -4.163 -1.680 -4.202 1.00 0.00 N ATOM 919 CA GLN A 64 -5.089 -2.790 -4.009 1.00 0.00 C ATOM 920 C GLN A 64 -4.547 -4.067 -4.644 1.00 0.00 C ATOM 921 O GLN A 64 -4.437 -4.165 -5.867 1.00 0.00 O ATOM 922 CB GLN A 64 -6.456 -2.451 -4.604 1.00 0.00 C ATOM 923 CG GLN A 64 -7.397 -1.775 -3.621 1.00 0.00 C ATOM 924 CD GLN A 64 -8.742 -1.440 -4.235 1.00 0.00 C ATOM 925 OE1 GLN A 64 -8.867 -0.486 -5.003 1.00 0.00 O ATOM 926 NE2 GLN A 64 -9.758 -2.226 -3.899 1.00 0.00 N ATOM 0 H GLN A 64 -3.791 -1.600 -5.148 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.199 -2.957 -2.937 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.316 -1.799 -5.467 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.921 -3.367 -4.968 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.547 -2.427 -2.761 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -6.933 -0.861 -3.251 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.609 -3.006 -3.259 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -10.687 -2.050 -4.281 1.00 0.00 H new ATOM 935 N ILE A 65 -4.211 -5.042 -3.807 1.00 0.00 N ATOM 936 CA ILE A 65 -3.682 -6.312 -4.287 1.00 0.00 C ATOM 937 C ILE A 65 -4.774 -7.374 -4.349 1.00 0.00 C ATOM 938 O ILE A 65 -5.481 -7.612 -3.369 1.00 0.00 O ATOM 939 CB ILE A 65 -2.538 -6.821 -3.390 1.00 0.00 C ATOM 940 CG1 ILE A 65 -1.420 -5.778 -3.311 1.00 0.00 C ATOM 941 CG2 ILE A 65 -2.000 -8.143 -3.916 1.00 0.00 C ATOM 942 CD1 ILE A 65 -0.656 -5.809 -2.006 1.00 0.00 C ATOM 0 H ILE A 65 -4.296 -4.977 -2.793 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.294 -6.133 -5.290 1.00 0.00 H new ATOM 0 HB ILE A 65 -2.929 -6.984 -2.386 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.724 -5.940 -4.134 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.850 -4.786 -3.448 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.192 -8.489 -3.271 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -2.800 -8.883 -3.925 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.622 -8.005 -4.929 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.120 -5.044 -2.020 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.340 -5.617 -1.179 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.197 -6.789 -1.876 1.00 0.00 H new ATOM 954 N HIS A 66 -4.906 -8.012 -5.508 1.00 0.00 N ATOM 955 CA HIS A 66 -5.911 -9.052 -5.698 1.00 0.00 C ATOM 956 C HIS A 66 -5.316 -10.435 -5.451 1.00 0.00 C ATOM 957 O HIS A 66 -4.254 -10.767 -5.975 1.00 0.00 O ATOM 958 CB HIS A 66 -6.490 -8.979 -7.112 1.00 0.00 C ATOM 959 CG HIS A 66 -7.477 -7.868 -7.297 1.00 0.00 C ATOM 960 ND1 HIS A 66 -8.704 -7.838 -6.668 1.00 0.00 N ATOM 961 CD2 HIS A 66 -7.413 -6.742 -8.046 1.00 0.00 C ATOM 962 CE1 HIS A 66 -9.352 -6.743 -7.023 1.00 0.00 C ATOM 963 NE2 HIS A 66 -8.590 -6.061 -7.859 1.00 0.00 N ATOM 0 H HIS A 66 -4.330 -7.827 -6.329 1.00 0.00 H new ATOM 0 HA HIS A 66 -6.711 -8.886 -4.976 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -5.674 -8.852 -7.824 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -6.974 -9.927 -7.347 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -6.589 -6.436 -8.674 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -10.337 -6.455 -6.687 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -8.836 -5.172 -8.295 1.00 0.00 H new ATOM 971 N GLY A 67 -6.008 -11.237 -4.647 1.00 0.00 N ATOM 972 CA GLY A 67 -5.532 -12.574 -4.344 1.00 0.00 C ATOM 973 C GLY A 67 -4.341 -12.566 -3.406 1.00 0.00 C ATOM 974 O GLY A 67 -3.192 -12.532 -3.850 1.00 0.00 O ATOM 0 H GLY A 67 -6.890 -10.984 -4.200 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -6.340 -13.151 -3.895 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -5.257 -13.077 -5.271 1.00 0.00 H new ATOM 978 N LEU A 68 -4.613 -12.595 -2.106 1.00 0.00 N ATOM 979 CA LEU A 68 -3.554 -12.589 -1.103 1.00 0.00 C ATOM 980 C LEU A 68 -3.078 -14.008 -0.806 1.00 0.00 C ATOM 981 O LEU A 68 -3.783 -14.979 -1.077 1.00 0.00 O ATOM 982 CB LEU A 68 -4.047 -11.924 0.184 1.00 0.00 C ATOM 983 CG LEU A 68 -3.829 -10.414 0.284 1.00 0.00 C ATOM 984 CD1 LEU A 68 -4.542 -9.853 1.505 1.00 0.00 C ATOM 985 CD2 LEU A 68 -2.343 -10.092 0.337 1.00 0.00 C ATOM 0 H LEU A 68 -5.558 -12.623 -1.722 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.714 -12.019 -1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.113 -12.125 0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.549 -12.400 1.029 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.250 -9.945 -0.605 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.376 -8.777 1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.611 -10.052 1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.151 -10.327 2.405 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.207 -9.013 0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.898 -10.572 1.208 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.858 -10.460 -0.567 1.00 0.00 H new ATOM 997 N ALA A 69 -1.878 -14.118 -0.245 1.00 0.00 N ATOM 998 CA ALA A 69 -1.309 -15.417 0.093 1.00 0.00 C ATOM 999 C ALA A 69 -0.015 -15.261 0.884 1.00 0.00 C ATOM 1000 O ALA A 69 0.379 -14.149 1.234 1.00 0.00 O ATOM 1001 CB ALA A 69 -1.065 -16.231 -1.169 1.00 0.00 C ATOM 0 H ALA A 69 -1.281 -13.323 -0.015 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.025 -15.947 0.721 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.640 -17.198 -0.901 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.009 -16.382 -1.693 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.371 -15.697 -1.818 1.00 0.00 H new ATOM 1007 N MET A 70 0.642 -16.382 1.162 1.00 0.00 N ATOM 1008 CA MET A 70 1.893 -16.369 1.911 1.00 0.00 C ATOM 1009 C MET A 70 2.961 -15.568 1.172 1.00 0.00 C ATOM 1010 O MET A 70 3.731 -14.830 1.785 1.00 0.00 O ATOM 1011 CB MET A 70 2.385 -17.797 2.150 1.00 0.00 C ATOM 1012 CG MET A 70 1.603 -18.538 3.222 1.00 0.00 C ATOM 1013 SD MET A 70 -0.133 -18.758 2.788 1.00 0.00 S ATOM 1014 CE MET A 70 -0.898 -17.491 3.797 1.00 0.00 C ATOM 0 H MET A 70 0.329 -17.311 0.880 1.00 0.00 H new ATOM 0 HA MET A 70 1.706 -15.892 2.873 1.00 0.00 H new ATOM 0 HB2 MET A 70 2.323 -18.355 1.216 1.00 0.00 H new ATOM 0 HB3 MET A 70 3.437 -17.767 2.434 1.00 0.00 H new ATOM 0 HG2 MET A 70 2.058 -19.514 3.389 1.00 0.00 H new ATOM 0 HG3 MET A 70 1.672 -17.989 4.161 1.00 0.00 H new ATOM 0 HE1 MET A 70 -1.912 -17.795 4.056 1.00 0.00 H new ATOM 0 HE2 MET A 70 -0.317 -17.352 4.709 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.931 -16.554 3.241 1.00 0.00 H new ATOM 1024 N ALA A 71 3.000 -15.719 -0.148 1.00 0.00 N ATOM 1025 CA ALA A 71 3.972 -15.008 -0.970 1.00 0.00 C ATOM 1026 C ALA A 71 3.713 -13.506 -0.950 1.00 0.00 C ATOM 1027 O ALA A 71 4.643 -12.708 -0.831 1.00 0.00 O ATOM 1028 CB ALA A 71 3.939 -15.532 -2.398 1.00 0.00 C ATOM 0 H ALA A 71 2.370 -16.327 -0.671 1.00 0.00 H new ATOM 0 HA ALA A 71 4.963 -15.185 -0.552 1.00 0.00 H new ATOM 0 HB1 ALA A 71 4.670 -14.992 -3.001 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.180 -16.595 -2.401 1.00 0.00 H new ATOM 0 HB3 ALA A 71 2.943 -15.385 -2.817 1.00 0.00 H new ATOM 1034 N ASP A 72 2.445 -13.127 -1.067 1.00 0.00 N ATOM 1035 CA ASP A 72 2.065 -11.719 -1.062 1.00 0.00 C ATOM 1036 C ASP A 72 2.740 -10.977 0.088 1.00 0.00 C ATOM 1037 O ASP A 72 3.360 -9.934 -0.113 1.00 0.00 O ATOM 1038 CB ASP A 72 0.545 -11.580 -0.952 1.00 0.00 C ATOM 1039 CG ASP A 72 -0.171 -12.050 -2.203 1.00 0.00 C ATOM 1040 OD1 ASP A 72 -0.286 -13.279 -2.393 1.00 0.00 O ATOM 1041 OD2 ASP A 72 -0.615 -11.190 -2.992 1.00 0.00 O ATOM 0 H ASP A 72 1.663 -13.775 -1.166 1.00 0.00 H new ATOM 0 HA ASP A 72 2.397 -11.275 -2.001 1.00 0.00 H new ATOM 0 HB2 ASP A 72 0.191 -12.155 -0.097 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.291 -10.537 -0.762 1.00 0.00 H new ATOM 1046 N ASN A 73 2.614 -11.524 1.293 1.00 0.00 N ATOM 1047 CA ASN A 73 3.211 -10.913 2.475 1.00 0.00 C ATOM 1048 C ASN A 73 4.722 -10.783 2.316 1.00 0.00 C ATOM 1049 O ASN A 73 5.375 -11.659 1.750 1.00 0.00 O ATOM 1050 CB ASN A 73 2.887 -11.740 3.721 1.00 0.00 C ATOM 1051 CG ASN A 73 3.519 -13.118 3.680 1.00 0.00 C ATOM 1052 OD1 ASN A 73 4.717 -13.256 3.435 1.00 0.00 O ATOM 1053 ND2 ASN A 73 2.713 -14.146 3.920 1.00 0.00 N ATOM 0 H ASN A 73 2.104 -12.388 1.476 1.00 0.00 H new ATOM 0 HA ASN A 73 2.789 -9.915 2.590 1.00 0.00 H new ATOM 0 HB2 ASN A 73 3.236 -11.209 4.607 1.00 0.00 H new ATOM 0 HB3 ASN A 73 1.806 -11.842 3.815 1.00 0.00 H new ATOM 0 HD21 ASN A 73 3.081 -15.097 3.906 1.00 0.00 H new ATOM 0 HD22 ASN A 73 1.726 -13.984 4.119 1.00 0.00 H new ATOM 1060 N GLY A 74 5.273 -9.683 2.820 1.00 0.00 N ATOM 1061 CA GLY A 74 6.703 -9.458 2.725 1.00 0.00 C ATOM 1062 C GLY A 74 7.094 -8.042 3.100 1.00 0.00 C ATOM 1063 O GLY A 74 6.870 -7.607 4.229 1.00 0.00 O ATOM 0 H GLY A 74 4.754 -8.943 3.293 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.222 -10.160 3.378 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.033 -9.665 1.707 1.00 0.00 H new ATOM 1067 N VAL A 75 7.683 -7.321 2.151 1.00 0.00 N ATOM 1068 CA VAL A 75 8.107 -5.947 2.387 1.00 0.00 C ATOM 1069 C VAL A 75 7.872 -5.079 1.156 1.00 0.00 C ATOM 1070 O VAL A 75 8.456 -5.314 0.097 1.00 0.00 O ATOM 1071 CB VAL A 75 9.596 -5.877 2.774 1.00 0.00 C ATOM 1072 CG1 VAL A 75 10.463 -6.456 1.666 1.00 0.00 C ATOM 1073 CG2 VAL A 75 9.999 -4.444 3.085 1.00 0.00 C ATOM 0 H VAL A 75 7.877 -7.666 1.211 1.00 0.00 H new ATOM 0 HA VAL A 75 7.506 -5.569 3.214 1.00 0.00 H new ATOM 0 HB VAL A 75 9.749 -6.475 3.672 1.00 0.00 H new ATOM 0 HG11 VAL A 75 11.512 -6.398 1.957 1.00 0.00 H new ATOM 0 HG12 VAL A 75 10.190 -7.498 1.497 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.309 -5.887 0.749 1.00 0.00 H new ATOM 0 HG21 VAL A 75 11.054 -4.414 3.356 1.00 0.00 H new ATOM 0 HG22 VAL A 75 9.832 -3.820 2.207 1.00 0.00 H new ATOM 0 HG23 VAL A 75 9.400 -4.070 3.915 1.00 0.00 H new ATOM 1083 N TYR A 76 7.014 -4.076 1.300 1.00 0.00 N ATOM 1084 CA TYR A 76 6.700 -3.174 0.199 1.00 0.00 C ATOM 1085 C TYR A 76 7.383 -1.823 0.389 1.00 0.00 C ATOM 1086 O TYR A 76 7.740 -1.447 1.505 1.00 0.00 O ATOM 1087 CB TYR A 76 5.186 -2.981 0.085 1.00 0.00 C ATOM 1088 CG TYR A 76 4.433 -4.259 -0.204 1.00 0.00 C ATOM 1089 CD1 TYR A 76 4.253 -5.221 0.782 1.00 0.00 C ATOM 1090 CD2 TYR A 76 3.901 -4.505 -1.464 1.00 0.00 C ATOM 1091 CE1 TYR A 76 3.566 -6.391 0.522 1.00 0.00 C ATOM 1092 CE2 TYR A 76 3.211 -5.671 -1.733 1.00 0.00 C ATOM 1093 CZ TYR A 76 3.046 -6.611 -0.737 1.00 0.00 C ATOM 1094 OH TYR A 76 2.361 -7.775 -1.001 1.00 0.00 O ATOM 0 H TYR A 76 6.523 -3.867 2.169 1.00 0.00 H new ATOM 0 HA TYR A 76 7.073 -3.623 -0.722 1.00 0.00 H new ATOM 0 HB2 TYR A 76 4.812 -2.551 1.014 1.00 0.00 H new ATOM 0 HB3 TYR A 76 4.979 -2.260 -0.706 1.00 0.00 H new ATOM 0 HD1 TYR A 76 4.657 -5.051 1.769 1.00 0.00 H new ATOM 0 HD2 TYR A 76 4.029 -3.772 -2.247 1.00 0.00 H new ATOM 0 HE1 TYR A 76 3.437 -7.129 1.300 1.00 0.00 H new ATOM 0 HE2 TYR A 76 2.803 -5.846 -2.718 1.00 0.00 H new ATOM 0 HH TYR A 76 2.622 -8.462 -0.353 1.00 0.00 H new ATOM 1104 N SER A 77 7.562 -1.098 -0.711 1.00 0.00 N ATOM 1105 CA SER A 77 8.206 0.210 -0.667 1.00 0.00 C ATOM 1106 C SER A 77 7.627 1.136 -1.733 1.00 0.00 C ATOM 1107 O SER A 77 7.377 0.718 -2.865 1.00 0.00 O ATOM 1108 CB SER A 77 9.715 0.066 -0.866 1.00 0.00 C ATOM 1109 OG SER A 77 10.287 -0.752 0.140 1.00 0.00 O ATOM 0 H SER A 77 7.270 -1.394 -1.643 1.00 0.00 H new ATOM 0 HA SER A 77 8.016 0.648 0.313 1.00 0.00 H new ATOM 0 HB2 SER A 77 9.916 -0.365 -1.847 1.00 0.00 H new ATOM 0 HB3 SER A 77 10.183 1.050 -0.848 1.00 0.00 H new ATOM 0 HG SER A 77 11.252 -0.829 -0.011 1.00 0.00 H new ATOM 1115 N CYS A 78 7.416 2.394 -1.363 1.00 0.00 N ATOM 1116 CA CYS A 78 6.866 3.380 -2.286 1.00 0.00 C ATOM 1117 C CYS A 78 7.864 4.506 -2.537 1.00 0.00 C ATOM 1118 O CYS A 78 8.082 5.359 -1.677 1.00 0.00 O ATOM 1119 CB CYS A 78 5.560 3.953 -1.734 1.00 0.00 C ATOM 1120 SG CYS A 78 4.405 4.517 -3.006 1.00 0.00 S ATOM 0 H CYS A 78 7.617 2.755 -0.431 1.00 0.00 H new ATOM 0 HA CYS A 78 6.663 2.881 -3.234 1.00 0.00 H new ATOM 0 HB2 CYS A 78 5.071 3.192 -1.126 1.00 0.00 H new ATOM 0 HB3 CYS A 78 5.793 4.788 -1.074 1.00 0.00 H new ATOM 0 HG CYS A 78 3.518 3.593 -3.227 1.00 0.00 H new ATOM 1126 N VAL A 79 8.468 4.502 -3.721 1.00 0.00 N ATOM 1127 CA VAL A 79 9.444 5.522 -4.085 1.00 0.00 C ATOM 1128 C VAL A 79 8.759 6.753 -4.669 1.00 0.00 C ATOM 1129 O VAL A 79 8.438 6.793 -5.857 1.00 0.00 O ATOM 1130 CB VAL A 79 10.465 4.984 -5.105 1.00 0.00 C ATOM 1131 CG1 VAL A 79 11.511 6.042 -5.423 1.00 0.00 C ATOM 1132 CG2 VAL A 79 11.120 3.714 -4.583 1.00 0.00 C ATOM 0 H VAL A 79 8.298 3.803 -4.445 1.00 0.00 H new ATOM 0 HA VAL A 79 9.968 5.800 -3.170 1.00 0.00 H new ATOM 0 HB VAL A 79 9.938 4.741 -6.027 1.00 0.00 H new ATOM 0 HG11 VAL A 79 12.224 5.644 -6.145 1.00 0.00 H new ATOM 0 HG12 VAL A 79 11.023 6.922 -5.842 1.00 0.00 H new ATOM 0 HG13 VAL A 79 12.037 6.320 -4.510 1.00 0.00 H new ATOM 0 HG21 VAL A 79 11.838 3.347 -5.316 1.00 0.00 H new ATOM 0 HG22 VAL A 79 11.635 3.929 -3.646 1.00 0.00 H new ATOM 0 HG23 VAL A 79 10.357 2.955 -4.412 1.00 0.00 H new ATOM 1142 N CYS A 80 8.539 7.756 -3.826 1.00 0.00 N ATOM 1143 CA CYS A 80 7.892 8.990 -4.257 1.00 0.00 C ATOM 1144 C CYS A 80 8.926 10.019 -4.702 1.00 0.00 C ATOM 1145 O CYS A 80 9.323 10.890 -3.929 1.00 0.00 O ATOM 1146 CB CYS A 80 7.037 9.564 -3.127 1.00 0.00 C ATOM 1147 SG CYS A 80 6.301 11.173 -3.502 1.00 0.00 S ATOM 0 H CYS A 80 8.799 7.739 -2.840 1.00 0.00 H new ATOM 0 HA CYS A 80 7.249 8.757 -5.106 1.00 0.00 H new ATOM 0 HB2 CYS A 80 6.240 8.858 -2.894 1.00 0.00 H new ATOM 0 HB3 CYS A 80 7.652 9.658 -2.232 1.00 0.00 H new ATOM 0 HG CYS A 80 7.227 11.989 -3.911 1.00 0.00 H new ATOM 1153 N GLY A 81 9.360 9.911 -5.955 1.00 0.00 N ATOM 1154 CA GLY A 81 10.346 10.838 -6.480 1.00 0.00 C ATOM 1155 C GLY A 81 11.720 10.627 -5.876 1.00 0.00 C ATOM 1156 O GLY A 81 12.512 9.833 -6.383 1.00 0.00 O ATOM 0 H GLY A 81 9.047 9.199 -6.615 1.00 0.00 H new ATOM 0 HA2 GLY A 81 10.407 10.724 -7.562 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.020 11.860 -6.285 1.00 0.00 H new ATOM 1160 N GLN A 82 12.004 11.341 -4.791 1.00 0.00 N ATOM 1161 CA GLN A 82 13.293 11.229 -4.120 1.00 0.00 C ATOM 1162 C GLN A 82 13.201 10.297 -2.916 1.00 0.00 C ATOM 1163 O GLN A 82 13.868 9.264 -2.867 1.00 0.00 O ATOM 1164 CB GLN A 82 13.781 12.609 -3.675 1.00 0.00 C ATOM 1165 CG GLN A 82 15.295 12.723 -3.598 1.00 0.00 C ATOM 1166 CD GLN A 82 15.750 13.989 -2.900 1.00 0.00 C ATOM 1167 OE1 GLN A 82 15.079 14.489 -1.997 1.00 0.00 O ATOM 1168 NE2 GLN A 82 16.897 14.515 -3.315 1.00 0.00 N ATOM 0 H GLN A 82 11.359 12.002 -4.359 1.00 0.00 H new ATOM 0 HA GLN A 82 14.008 10.809 -4.828 1.00 0.00 H new ATOM 0 HB2 GLN A 82 13.403 13.360 -4.369 1.00 0.00 H new ATOM 0 HB3 GLN A 82 13.358 12.837 -2.697 1.00 0.00 H new ATOM 0 HG2 GLN A 82 15.694 11.858 -3.069 1.00 0.00 H new ATOM 0 HG3 GLN A 82 15.709 12.700 -4.606 1.00 0.00 H new ATOM 0 HE21 GLN A 82 17.421 14.067 -4.067 1.00 0.00 H new ATOM 0 HE22 GLN A 82 17.254 15.367 -2.882 1.00 0.00 H new ATOM 1177 N GLU A 83 12.370 10.670 -1.947 1.00 0.00 N ATOM 1178 CA GLU A 83 12.192 9.866 -0.743 1.00 0.00 C ATOM 1179 C GLU A 83 11.385 8.607 -1.043 1.00 0.00 C ATOM 1180 O GLU A 83 10.878 8.431 -2.152 1.00 0.00 O ATOM 1181 CB GLU A 83 11.495 10.685 0.345 1.00 0.00 C ATOM 1182 CG GLU A 83 12.224 11.970 0.701 1.00 0.00 C ATOM 1183 CD GLU A 83 13.683 11.737 1.044 1.00 0.00 C ATOM 1184 OE1 GLU A 83 14.456 11.376 0.133 1.00 0.00 O ATOM 1185 OE2 GLU A 83 14.050 11.917 2.224 1.00 0.00 O ATOM 0 H GLU A 83 11.810 11.522 -1.972 1.00 0.00 H new ATOM 0 HA GLU A 83 13.178 9.568 -0.388 1.00 0.00 H new ATOM 0 HB2 GLU A 83 10.486 10.930 0.013 1.00 0.00 H new ATOM 0 HB3 GLU A 83 11.396 10.073 1.242 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.158 12.665 -0.136 1.00 0.00 H new ATOM 0 HG3 GLU A 83 11.727 12.443 1.548 1.00 0.00 H new ATOM 1192 N ARG A 84 11.270 7.733 -0.048 1.00 0.00 N ATOM 1193 CA ARG A 84 10.526 6.489 -0.206 1.00 0.00 C ATOM 1194 C ARG A 84 10.203 5.874 1.152 1.00 0.00 C ATOM 1195 O ARG A 84 11.051 5.829 2.044 1.00 0.00 O ATOM 1196 CB ARG A 84 11.326 5.496 -1.051 1.00 0.00 C ATOM 1197 CG ARG A 84 12.521 4.902 -0.324 1.00 0.00 C ATOM 1198 CD ARG A 84 13.588 5.952 -0.056 1.00 0.00 C ATOM 1199 NE ARG A 84 14.774 5.379 0.574 1.00 0.00 N ATOM 1200 CZ ARG A 84 15.765 4.811 -0.105 1.00 0.00 C ATOM 1201 NH1 ARG A 84 15.712 4.742 -1.428 1.00 0.00 N ATOM 1202 NH2 ARG A 84 16.812 4.312 0.539 1.00 0.00 N ATOM 0 H ARG A 84 11.682 7.863 0.876 1.00 0.00 H new ATOM 0 HA ARG A 84 9.589 6.716 -0.715 1.00 0.00 H new ATOM 0 HB2 ARG A 84 10.667 4.688 -1.369 1.00 0.00 H new ATOM 0 HB3 ARG A 84 11.673 5.998 -1.954 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.194 4.465 0.619 1.00 0.00 H new ATOM 0 HG3 ARG A 84 12.946 4.094 -0.919 1.00 0.00 H new ATOM 0 HD2 ARG A 84 13.871 6.429 -0.994 1.00 0.00 H new ATOM 0 HD3 ARG A 84 13.177 6.731 0.586 1.00 0.00 H new ATOM 0 HE ARG A 84 14.846 5.417 1.591 1.00 0.00 H new ATOM 0 HH11 ARG A 84 14.909 5.125 -1.927 1.00 0.00 H new ATOM 0 HH12 ARG A 84 16.474 4.306 -1.947 1.00 0.00 H new ATOM 0 HH21 ARG A 84 16.857 4.364 1.557 1.00 0.00 H new ATOM 0 HH22 ARG A 84 17.572 3.876 0.016 1.00 0.00 H new ATOM 1216 N THR A 85 8.970 5.401 1.303 1.00 0.00 N ATOM 1217 CA THR A 85 8.533 4.790 2.553 1.00 0.00 C ATOM 1218 C THR A 85 8.284 3.296 2.376 1.00 0.00 C ATOM 1219 O THR A 85 7.746 2.863 1.357 1.00 0.00 O ATOM 1220 CB THR A 85 7.249 5.454 3.084 1.00 0.00 C ATOM 1221 OG1 THR A 85 6.866 4.855 4.327 1.00 0.00 O ATOM 1222 CG2 THR A 85 6.114 5.318 2.080 1.00 0.00 C ATOM 0 H THR A 85 8.256 5.429 0.575 1.00 0.00 H new ATOM 0 HA THR A 85 9.335 4.939 3.276 1.00 0.00 H new ATOM 0 HB THR A 85 7.452 6.514 3.238 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.702 5.557 4.991 1.00 0.00 H new ATOM 0 HG21 THR A 85 5.218 5.795 2.477 1.00 0.00 H new ATOM 0 HG22 THR A 85 6.397 5.800 1.144 1.00 0.00 H new ATOM 0 HG23 THR A 85 5.913 4.262 1.898 1.00 0.00 H new ATOM 1230 N SER A 86 8.678 2.513 3.376 1.00 0.00 N ATOM 1231 CA SER A 86 8.500 1.067 3.329 1.00 0.00 C ATOM 1232 C SER A 86 7.438 0.618 4.329 1.00 0.00 C ATOM 1233 O SER A 86 7.171 1.301 5.317 1.00 0.00 O ATOM 1234 CB SER A 86 9.824 0.359 3.623 1.00 0.00 C ATOM 1235 OG SER A 86 10.674 0.378 2.490 1.00 0.00 O ATOM 0 H SER A 86 9.122 2.856 4.228 1.00 0.00 H new ATOM 0 HA SER A 86 8.167 0.799 2.326 1.00 0.00 H new ATOM 0 HB2 SER A 86 10.321 0.844 4.463 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.631 -0.672 3.920 1.00 0.00 H new ATOM 0 HG SER A 86 10.390 -0.314 1.856 1.00 0.00 H new ATOM 1241 N ALA A 87 6.835 -0.536 4.063 1.00 0.00 N ATOM 1242 CA ALA A 87 5.804 -1.079 4.939 1.00 0.00 C ATOM 1243 C ALA A 87 5.923 -2.595 5.055 1.00 0.00 C ATOM 1244 O ALA A 87 6.686 -3.226 4.322 1.00 0.00 O ATOM 1245 CB ALA A 87 4.423 -0.693 4.430 1.00 0.00 C ATOM 0 H ALA A 87 7.043 -1.113 3.248 1.00 0.00 H new ATOM 0 HA ALA A 87 5.945 -0.654 5.933 1.00 0.00 H new ATOM 0 HB1 ALA A 87 3.662 -1.105 5.093 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.334 0.393 4.407 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.282 -1.090 3.425 1.00 0.00 H new ATOM 1251 N THR A 88 5.165 -3.175 5.980 1.00 0.00 N ATOM 1252 CA THR A 88 5.187 -4.616 6.193 1.00 0.00 C ATOM 1253 C THR A 88 3.778 -5.198 6.166 1.00 0.00 C ATOM 1254 O THR A 88 2.876 -4.698 6.839 1.00 0.00 O ATOM 1255 CB THR A 88 5.853 -4.976 7.535 1.00 0.00 C ATOM 1256 OG1 THR A 88 7.170 -4.417 7.593 1.00 0.00 O ATOM 1257 CG2 THR A 88 5.928 -6.484 7.714 1.00 0.00 C ATOM 0 H THR A 88 4.528 -2.668 6.594 1.00 0.00 H new ATOM 0 HA THR A 88 5.771 -5.046 5.379 1.00 0.00 H new ATOM 0 HB THR A 88 5.247 -4.561 8.340 1.00 0.00 H new ATOM 0 HG1 THR A 88 7.586 -4.649 8.449 1.00 0.00 H new ATOM 0 HG21 THR A 88 6.402 -6.714 8.668 1.00 0.00 H new ATOM 0 HG22 THR A 88 4.922 -6.903 7.698 1.00 0.00 H new ATOM 0 HG23 THR A 88 6.514 -6.918 6.904 1.00 0.00 H new ATOM 1265 N LEU A 89 3.595 -6.257 5.385 1.00 0.00 N ATOM 1266 CA LEU A 89 2.295 -6.908 5.271 1.00 0.00 C ATOM 1267 C LEU A 89 2.300 -8.261 5.974 1.00 0.00 C ATOM 1268 O LEU A 89 3.293 -8.988 5.939 1.00 0.00 O ATOM 1269 CB LEU A 89 1.920 -7.087 3.799 1.00 0.00 C ATOM 1270 CG LEU A 89 0.539 -7.686 3.526 1.00 0.00 C ATOM 1271 CD1 LEU A 89 -0.552 -6.672 3.831 1.00 0.00 C ATOM 1272 CD2 LEU A 89 0.440 -8.162 2.084 1.00 0.00 C ATOM 0 H LEU A 89 4.331 -6.683 4.821 1.00 0.00 H new ATOM 0 HA LEU A 89 1.554 -6.271 5.754 1.00 0.00 H new ATOM 0 HB2 LEU A 89 1.975 -6.114 3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.669 -7.723 3.329 1.00 0.00 H new ATOM 0 HG LEU A 89 0.401 -8.546 4.182 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.527 -7.116 3.631 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.494 -6.380 4.880 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -0.418 -5.792 3.201 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.549 -8.585 1.908 1.00 0.00 H new ATOM 0 HD22 LEU A 89 0.600 -7.320 1.411 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.198 -8.923 1.899 1.00 0.00 H new ATOM 1284 N THR A 90 1.182 -8.595 6.612 1.00 0.00 N ATOM 1285 CA THR A 90 1.057 -9.861 7.323 1.00 0.00 C ATOM 1286 C THR A 90 -0.197 -10.613 6.890 1.00 0.00 C ATOM 1287 O THR A 90 -1.317 -10.172 7.148 1.00 0.00 O ATOM 1288 CB THR A 90 1.013 -9.648 8.847 1.00 0.00 C ATOM 1289 OG1 THR A 90 2.228 -9.033 9.291 1.00 0.00 O ATOM 1290 CG2 THR A 90 0.813 -10.970 9.574 1.00 0.00 C ATOM 0 H THR A 90 0.350 -8.006 6.651 1.00 0.00 H new ATOM 0 HA THR A 90 1.938 -10.452 7.072 1.00 0.00 H new ATOM 0 HB THR A 90 0.171 -8.995 9.076 1.00 0.00 H new ATOM 0 HG1 THR A 90 2.191 -8.899 10.261 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.785 -10.793 10.649 1.00 0.00 H new ATOM 0 HG22 THR A 90 -0.127 -11.422 9.256 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.637 -11.643 9.338 1.00 0.00 H new ATOM 1298 N VAL A 91 -0.002 -11.751 6.232 1.00 0.00 N ATOM 1299 CA VAL A 91 -1.117 -12.566 5.765 1.00 0.00 C ATOM 1300 C VAL A 91 -1.229 -13.857 6.569 1.00 0.00 C ATOM 1301 O VAL A 91 -0.230 -14.529 6.824 1.00 0.00 O ATOM 1302 CB VAL A 91 -0.972 -12.914 4.272 1.00 0.00 C ATOM 1303 CG1 VAL A 91 -2.162 -13.732 3.796 1.00 0.00 C ATOM 1304 CG2 VAL A 91 -0.818 -11.648 3.443 1.00 0.00 C ATOM 0 H VAL A 91 0.919 -12.130 6.010 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.022 -11.975 5.906 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.073 -13.517 4.143 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.042 -13.968 2.739 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.221 -14.657 4.370 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.078 -13.158 3.937 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -0.717 -11.912 2.390 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.697 -11.017 3.576 1.00 0.00 H new ATOM 0 HG23 VAL A 91 0.070 -11.106 3.768 1.00 0.00 H new ATOM 1314 N ARG A 92 -2.452 -14.197 6.964 1.00 0.00 N ATOM 1315 CA ARG A 92 -2.694 -15.408 7.739 1.00 0.00 C ATOM 1316 C ARG A 92 -3.514 -16.413 6.935 1.00 0.00 C ATOM 1317 O ARG A 92 -4.603 -16.098 6.456 1.00 0.00 O ATOM 1318 CB ARG A 92 -3.420 -15.067 9.042 1.00 0.00 C ATOM 1319 CG ARG A 92 -2.542 -14.359 10.061 1.00 0.00 C ATOM 1320 CD ARG A 92 -3.264 -14.175 11.386 1.00 0.00 C ATOM 1321 NE ARG A 92 -2.417 -13.532 12.387 1.00 0.00 N ATOM 1322 CZ ARG A 92 -2.891 -12.877 13.441 1.00 0.00 C ATOM 1323 NH1 ARG A 92 -4.200 -12.780 13.631 1.00 0.00 N ATOM 1324 NH2 ARG A 92 -2.056 -12.319 14.307 1.00 0.00 N ATOM 0 H ARG A 92 -3.289 -13.652 6.760 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.730 -15.858 7.975 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.279 -14.436 8.815 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -3.807 -15.985 9.484 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -1.630 -14.934 10.219 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -2.242 -13.387 9.671 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -4.160 -13.575 11.230 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -3.592 -15.146 11.758 1.00 0.00 H new ATOM 0 HE ARG A 92 -1.405 -13.589 12.270 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -4.845 -13.209 12.967 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -4.562 -12.277 14.441 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -1.049 -12.393 14.164 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -2.421 -11.816 15.116 1.00 0.00 H new ATOM 1338 N ALA A 93 -2.983 -17.622 6.792 1.00 0.00 N ATOM 1339 CA ALA A 93 -3.666 -18.673 6.048 1.00 0.00 C ATOM 1340 C ALA A 93 -5.000 -19.028 6.697 1.00 0.00 C ATOM 1341 O ALA A 93 -5.117 -19.056 7.923 1.00 0.00 O ATOM 1342 CB ALA A 93 -2.782 -19.908 5.947 1.00 0.00 C ATOM 0 H ALA A 93 -2.082 -17.898 7.182 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.868 -18.300 5.044 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -3.305 -20.685 5.389 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.856 -19.652 5.432 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -2.551 -20.273 6.948 1.00 0.00 H new ATOM 1348 N LEU A 94 -6.002 -19.297 5.869 1.00 0.00 N ATOM 1349 CA LEU A 94 -7.329 -19.649 6.362 1.00 0.00 C ATOM 1350 C LEU A 94 -7.416 -21.139 6.676 1.00 0.00 C ATOM 1351 O LEU A 94 -6.666 -21.956 6.140 1.00 0.00 O ATOM 1352 CB LEU A 94 -8.395 -19.270 5.333 1.00 0.00 C ATOM 1353 CG LEU A 94 -8.783 -17.792 5.281 1.00 0.00 C ATOM 1354 CD1 LEU A 94 -7.820 -17.019 4.393 1.00 0.00 C ATOM 1355 CD2 LEU A 94 -10.213 -17.633 4.786 1.00 0.00 C ATOM 0 H LEU A 94 -5.921 -19.278 4.852 1.00 0.00 H new ATOM 0 HA LEU A 94 -7.507 -19.092 7.282 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -8.040 -19.567 4.346 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.293 -19.854 5.538 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.722 -17.384 6.290 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.111 -15.969 4.368 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.809 -17.105 4.791 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.849 -17.428 3.383 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.472 -16.575 4.755 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -10.301 -18.057 3.786 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.892 -18.153 5.462 1.00 0.00 H new