USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 569 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 7 THR OG1 : rot 180:sc= -0.737 USER MOD Set 1.2: A 9 THR OG1 : rot 96:sc= 0.0526 USER MOD Single : A 6 MET CE :methyl -152:sc= -4.9! (180deg=-5.15!) USER MOD Single : A 17 LYS NZ :NH3+ -162:sc= -0.0138 (180deg=-0.139) USER MOD Single : A 19 HIS : no HE2:sc= -0.152 X(o=-0.15,f=-0.25) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 21 THR OG1 : rot 36:sc= 0.66 USER MOD Single : A 25 LYS NZ :NH3+ 157:sc= -0.0731 (180deg=-0.38) USER MOD Single : A 28 HIS : no HD1:sc= -0.011 K(o=-0.011,f=-1.1) USER MOD Single : A 30 SER OG : rot -38:sc= 1.17 USER MOD Single : A 31 HIS : no HD1:sc= -0.498 X(o=-0.5,f=-0.85) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.927 X(o=-0.93,f=-0.98) USER MOD Single : A 34 THR OG1 : rot 41:sc= 0.635 USER MOD Single : A 38 HIS : no HD1:sc= -0.174 X(o=-0.17,f=0) USER MOD Single : A 58 GLN : amide:sc= -1.04 K(o=-1,f=-3.1!) USER MOD Single : A 60 GLN : amide:sc= -0.0633 X(o=-0.063,f=0) USER MOD Single : A 62 ASN : amide:sc= -1.95 K(o=-1.9,f=-4.5!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.168 K(o=-0.17,f=-2.2) USER MOD Single : A 71 THR OG1 : rot 56:sc= 0.445 USER MOD ----------------------------------------------------------------- ATOM 18 N ASP A 2 0.528 -1.221 -3.781 1.00 0.00 N ATOM 19 CA ASP A 2 0.491 -2.623 -4.183 1.00 0.00 C ATOM 20 C ASP A 2 1.066 -2.801 -5.585 1.00 0.00 C ATOM 21 O ASP A 2 0.351 -3.170 -6.517 1.00 0.00 O ATOM 22 CB ASP A 2 -0.944 -3.152 -4.136 1.00 0.00 C ATOM 23 CG ASP A 2 -1.481 -3.240 -2.721 1.00 0.00 C ATOM 24 OD1 ASP A 2 -2.030 -2.231 -2.230 1.00 0.00 O ATOM 25 OD2 ASP A 2 -1.355 -4.319 -2.105 1.00 0.00 O ATOM 0 HA ASP A 2 1.103 -3.192 -3.483 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -1.588 -2.500 -4.726 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -0.980 -4.139 -4.597 1.00 0.00 H new ATOM 30 N ARG A 3 2.360 -2.536 -5.726 1.00 0.00 N ATOM 31 CA ARG A 3 3.030 -2.665 -7.015 1.00 0.00 C ATOM 32 C ARG A 3 3.047 -4.120 -7.476 1.00 0.00 C ATOM 33 O ARG A 3 3.180 -5.036 -6.664 1.00 0.00 O ATOM 34 CB ARG A 3 4.461 -2.131 -6.925 1.00 0.00 C ATOM 35 CG ARG A 3 5.251 -2.698 -5.758 1.00 0.00 C ATOM 36 CD ARG A 3 6.747 -2.496 -5.947 1.00 0.00 C ATOM 37 NE ARG A 3 7.108 -1.081 -5.975 1.00 0.00 N ATOM 38 CZ ARG A 3 8.337 -0.632 -5.749 1.00 0.00 C ATOM 39 NH1 ARG A 3 9.318 -1.482 -5.478 1.00 0.00 N ATOM 40 NH2 ARG A 3 8.588 0.670 -5.793 1.00 0.00 N ATOM 0 H ARG A 3 2.966 -2.231 -4.964 1.00 0.00 H new ATOM 0 HA ARG A 3 2.475 -2.077 -7.746 1.00 0.00 H new ATOM 0 HB2 ARG A 3 4.985 -2.361 -7.853 1.00 0.00 H new ATOM 0 HB3 ARG A 3 4.430 -1.045 -6.838 1.00 0.00 H new ATOM 0 HG2 ARG A 3 4.932 -2.217 -4.833 1.00 0.00 H new ATOM 0 HG3 ARG A 3 5.037 -3.762 -5.655 1.00 0.00 H new ATOM 0 HD2 ARG A 3 7.285 -2.992 -5.139 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.062 -2.969 -6.877 1.00 0.00 H new ATOM 0 HE ARG A 3 6.376 -0.401 -6.179 1.00 0.00 H new ATOM 0 HH11 ARG A 3 9.130 -2.484 -5.443 1.00 0.00 H new ATOM 0 HH12 ARG A 3 10.261 -1.134 -5.305 1.00 0.00 H new ATOM 0 HH21 ARG A 3 7.836 1.328 -6.001 1.00 0.00 H new ATOM 0 HH22 ARG A 3 9.533 1.013 -5.619 1.00 0.00 H new ATOM 54 N ILE A 4 2.911 -4.323 -8.782 1.00 0.00 N ATOM 55 CA ILE A 4 2.912 -5.665 -9.350 1.00 0.00 C ATOM 56 C ILE A 4 3.734 -5.719 -10.633 1.00 0.00 C ATOM 57 O ILE A 4 3.379 -5.101 -11.637 1.00 0.00 O ATOM 58 CB ILE A 4 1.481 -6.150 -9.650 1.00 0.00 C ATOM 59 CG1 ILE A 4 0.638 -6.143 -8.373 1.00 0.00 C ATOM 60 CG2 ILE A 4 1.511 -7.541 -10.264 1.00 0.00 C ATOM 61 CD1 ILE A 4 -0.846 -6.282 -8.627 1.00 0.00 C ATOM 0 H ILE A 4 2.799 -3.575 -9.466 1.00 0.00 H new ATOM 0 HA ILE A 4 3.362 -6.322 -8.606 1.00 0.00 H new ATOM 0 HB ILE A 4 1.025 -5.468 -10.367 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.965 -6.958 -7.727 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.820 -5.214 -7.832 1.00 0.00 H new ATOM 0 HG21 ILE A 4 0.492 -7.870 -10.470 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.080 -7.516 -11.194 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.983 -8.235 -9.569 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.380 -6.269 -7.677 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -1.188 -5.454 -9.247 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.041 -7.224 -9.140 1.00 0.00 H new ATOM 73 N PHE A 5 4.834 -6.463 -10.593 1.00 0.00 N ATOM 74 CA PHE A 5 5.707 -6.599 -11.753 1.00 0.00 C ATOM 75 C PHE A 5 5.058 -7.472 -12.823 1.00 0.00 C ATOM 76 O PHE A 5 4.175 -8.277 -12.530 1.00 0.00 O ATOM 77 CB PHE A 5 7.053 -7.198 -11.337 1.00 0.00 C ATOM 78 CG PHE A 5 6.943 -8.586 -10.774 1.00 0.00 C ATOM 79 CD1 PHE A 5 6.978 -9.691 -11.608 1.00 0.00 C ATOM 80 CD2 PHE A 5 6.804 -8.785 -9.410 1.00 0.00 C ATOM 81 CE1 PHE A 5 6.878 -10.970 -11.093 1.00 0.00 C ATOM 82 CE2 PHE A 5 6.704 -10.061 -8.889 1.00 0.00 C ATOM 83 CZ PHE A 5 6.740 -11.155 -9.731 1.00 0.00 C ATOM 0 H PHE A 5 5.142 -6.981 -9.770 1.00 0.00 H new ATOM 0 HA PHE A 5 5.872 -5.606 -12.171 1.00 0.00 H new ATOM 0 HB2 PHE A 5 7.716 -7.217 -12.202 1.00 0.00 H new ATOM 0 HB3 PHE A 5 7.516 -6.549 -10.594 1.00 0.00 H new ATOM 0 HD1 PHE A 5 7.085 -9.552 -12.674 1.00 0.00 H new ATOM 0 HD2 PHE A 5 6.773 -7.933 -8.746 1.00 0.00 H new ATOM 0 HE1 PHE A 5 6.908 -11.823 -11.754 1.00 0.00 H new ATOM 0 HE2 PHE A 5 6.598 -10.203 -7.824 1.00 0.00 H new ATOM 0 HZ PHE A 5 6.660 -12.153 -9.326 1.00 0.00 H new ATOM 93 N MET A 6 5.504 -7.306 -14.064 1.00 0.00 N ATOM 94 CA MET A 6 4.967 -8.078 -15.178 1.00 0.00 C ATOM 95 C MET A 6 5.703 -7.749 -16.473 1.00 0.00 C ATOM 96 O MET A 6 6.109 -6.608 -16.696 1.00 0.00 O ATOM 97 CB MET A 6 3.471 -7.803 -15.344 1.00 0.00 C ATOM 98 CG MET A 6 3.136 -6.327 -15.478 1.00 0.00 C ATOM 99 SD MET A 6 3.179 -5.758 -17.188 1.00 0.00 S ATOM 100 CE MET A 6 1.823 -4.587 -17.190 1.00 0.00 C ATOM 0 H MET A 6 6.236 -6.644 -14.323 1.00 0.00 H new ATOM 0 HA MET A 6 5.112 -9.135 -14.957 1.00 0.00 H new ATOM 0 HB2 MET A 6 3.109 -8.331 -16.226 1.00 0.00 H new ATOM 0 HB3 MET A 6 2.937 -8.212 -14.486 1.00 0.00 H new ATOM 0 HG2 MET A 6 2.145 -6.144 -15.063 1.00 0.00 H new ATOM 0 HG3 MET A 6 3.842 -5.743 -14.887 1.00 0.00 H new ATOM 0 HE1 MET A 6 1.398 -4.525 -18.192 1.00 0.00 H new ATOM 0 HE2 MET A 6 1.056 -4.918 -16.490 1.00 0.00 H new ATOM 0 HE3 MET A 6 2.190 -3.605 -16.890 1.00 0.00 H new ATOM 110 N THR A 7 5.872 -8.755 -17.325 1.00 0.00 N ATOM 111 CA THR A 7 6.560 -8.572 -18.597 1.00 0.00 C ATOM 112 C THR A 7 5.572 -8.283 -19.720 1.00 0.00 C ATOM 113 O THR A 7 4.365 -8.199 -19.492 1.00 0.00 O ATOM 114 CB THR A 7 7.393 -9.814 -18.969 1.00 0.00 C ATOM 115 OG1 THR A 7 6.528 -10.875 -19.389 1.00 0.00 O ATOM 116 CG2 THR A 7 8.233 -10.275 -17.788 1.00 0.00 C ATOM 0 H THR A 7 5.542 -9.705 -17.157 1.00 0.00 H new ATOM 0 HA THR A 7 7.227 -7.719 -18.475 1.00 0.00 H new ATOM 0 HB THR A 7 8.062 -9.545 -19.787 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.065 -11.660 -19.625 1.00 0.00 H new ATOM 0 HG21 THR A 7 8.812 -11.153 -18.074 1.00 0.00 H new ATOM 0 HG22 THR A 7 8.910 -9.475 -17.489 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.579 -10.528 -16.953 1.00 0.00 H new ATOM 124 N ARG A 8 6.091 -8.131 -20.934 1.00 0.00 N ATOM 125 CA ARG A 8 5.253 -7.849 -22.094 1.00 0.00 C ATOM 126 C ARG A 8 4.105 -8.850 -22.191 1.00 0.00 C ATOM 127 O ARG A 8 2.952 -8.472 -22.398 1.00 0.00 O ATOM 128 CB ARG A 8 6.088 -7.889 -23.375 1.00 0.00 C ATOM 129 CG ARG A 8 7.173 -6.826 -23.428 1.00 0.00 C ATOM 130 CD ARG A 8 8.105 -7.040 -24.610 1.00 0.00 C ATOM 131 NE ARG A 8 9.142 -8.027 -24.317 1.00 0.00 N ATOM 132 CZ ARG A 8 10.198 -7.778 -23.551 1.00 0.00 C ATOM 133 NH1 ARG A 8 10.356 -6.581 -23.002 1.00 0.00 N ATOM 134 NH2 ARG A 8 11.098 -8.728 -23.331 1.00 0.00 N ATOM 0 H ARG A 8 7.088 -8.198 -21.140 1.00 0.00 H new ATOM 0 HA ARG A 8 4.833 -6.850 -21.973 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.550 -8.872 -23.467 1.00 0.00 H new ATOM 0 HB3 ARG A 8 5.428 -7.765 -24.233 1.00 0.00 H new ATOM 0 HG2 ARG A 8 6.714 -5.840 -23.499 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.748 -6.845 -22.502 1.00 0.00 H new ATOM 0 HD2 ARG A 8 7.526 -7.368 -25.474 1.00 0.00 H new ATOM 0 HD3 ARG A 8 8.572 -6.093 -24.880 1.00 0.00 H new ATOM 0 HE ARG A 8 9.050 -8.958 -24.723 1.00 0.00 H new ATOM 0 HH11 ARG A 8 9.665 -5.849 -23.168 1.00 0.00 H new ATOM 0 HH12 ARG A 8 11.168 -6.393 -22.414 1.00 0.00 H new ATOM 0 HH21 ARG A 8 10.979 -9.650 -23.750 1.00 0.00 H new ATOM 0 HH22 ARG A 8 11.909 -8.536 -22.743 1.00 0.00 H new ATOM 148 N THR A 9 4.429 -10.131 -22.041 1.00 0.00 N ATOM 149 CA THR A 9 3.427 -11.187 -22.113 1.00 0.00 C ATOM 150 C THR A 9 2.472 -11.120 -20.927 1.00 0.00 C ATOM 151 O THR A 9 1.253 -11.146 -21.098 1.00 0.00 O ATOM 152 CB THR A 9 4.081 -12.581 -22.153 1.00 0.00 C ATOM 153 OG1 THR A 9 5.116 -12.665 -21.167 1.00 0.00 O ATOM 154 CG2 THR A 9 4.661 -12.867 -23.530 1.00 0.00 C ATOM 0 H THR A 9 5.378 -10.462 -21.869 1.00 0.00 H new ATOM 0 HA THR A 9 2.868 -11.030 -23.036 1.00 0.00 H new ATOM 0 HB THR A 9 3.314 -13.325 -21.938 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.759 -13.077 -20.353 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.117 -13.857 -23.534 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.866 -12.831 -24.274 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.416 -12.118 -23.769 1.00 0.00 H new ATOM 162 N GLU A 10 3.033 -11.034 -19.725 1.00 0.00 N ATOM 163 CA GLU A 10 2.229 -10.963 -18.511 1.00 0.00 C ATOM 164 C GLU A 10 1.331 -9.730 -18.523 1.00 0.00 C ATOM 165 O GLU A 10 0.341 -9.662 -17.795 1.00 0.00 O ATOM 166 CB GLU A 10 3.131 -10.938 -17.275 1.00 0.00 C ATOM 167 CG GLU A 10 4.204 -12.014 -17.283 1.00 0.00 C ATOM 168 CD GLU A 10 3.630 -13.409 -17.432 1.00 0.00 C ATOM 169 OE1 GLU A 10 2.924 -13.862 -16.506 1.00 0.00 O ATOM 170 OE2 GLU A 10 3.885 -14.049 -18.474 1.00 0.00 O ATOM 0 H GLU A 10 4.040 -11.012 -19.566 1.00 0.00 H new ATOM 0 HA GLU A 10 1.597 -11.851 -18.473 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.609 -9.961 -17.204 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.515 -11.057 -16.384 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.899 -11.822 -18.100 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.777 -11.958 -16.357 1.00 0.00 H new ATOM 177 N ALA A 11 1.684 -8.756 -19.356 1.00 0.00 N ATOM 178 CA ALA A 11 0.910 -7.526 -19.465 1.00 0.00 C ATOM 179 C ALA A 11 -0.578 -7.824 -19.609 1.00 0.00 C ATOM 180 O ALA A 11 -1.423 -7.068 -19.127 1.00 0.00 O ATOM 181 CB ALA A 11 1.401 -6.697 -20.643 1.00 0.00 C ATOM 0 H ALA A 11 2.501 -8.795 -19.965 1.00 0.00 H new ATOM 0 HA ALA A 11 1.051 -6.954 -18.548 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.814 -5.781 -20.713 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.451 -6.445 -20.498 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.289 -7.271 -21.563 1.00 0.00 H new ATOM 187 N LEU A 12 -0.893 -8.930 -20.275 1.00 0.00 N ATOM 188 CA LEU A 12 -2.281 -9.328 -20.483 1.00 0.00 C ATOM 189 C LEU A 12 -3.046 -9.348 -19.164 1.00 0.00 C ATOM 190 O LEU A 12 -4.190 -8.903 -19.092 1.00 0.00 O ATOM 191 CB LEU A 12 -2.343 -10.706 -21.143 1.00 0.00 C ATOM 192 CG LEU A 12 -1.775 -11.868 -20.327 1.00 0.00 C ATOM 193 CD1 LEU A 12 -2.872 -12.535 -19.512 1.00 0.00 C ATOM 194 CD2 LEU A 12 -1.096 -12.879 -21.239 1.00 0.00 C ATOM 0 H LEU A 12 -0.206 -9.567 -20.680 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.748 -8.595 -21.141 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.384 -10.928 -21.377 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.806 -10.657 -22.090 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.029 -11.472 -19.638 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.449 -13.359 -18.938 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.313 -11.807 -18.831 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.642 -12.917 -20.182 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.698 -13.699 -20.641 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.821 -13.270 -21.953 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.282 -12.394 -21.777 1.00 0.00 H new ATOM 206 N GLU A 13 -2.403 -9.866 -18.121 1.00 0.00 N ATOM 207 CA GLU A 13 -3.023 -9.943 -16.804 1.00 0.00 C ATOM 208 C GLU A 13 -3.359 -8.550 -16.279 1.00 0.00 C ATOM 209 O GLU A 13 -4.415 -8.336 -15.683 1.00 0.00 O ATOM 210 CB GLU A 13 -2.096 -10.661 -15.821 1.00 0.00 C ATOM 211 CG GLU A 13 -1.990 -12.156 -16.066 1.00 0.00 C ATOM 212 CD GLU A 13 -3.343 -12.840 -16.097 1.00 0.00 C ATOM 213 OE1 GLU A 13 -4.280 -12.330 -15.448 1.00 0.00 O ATOM 214 OE2 GLU A 13 -3.465 -13.885 -16.770 1.00 0.00 O ATOM 0 H GLU A 13 -1.454 -10.238 -18.163 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.949 -10.510 -16.899 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.101 -10.220 -15.884 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -2.456 -10.492 -14.806 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -1.478 -12.330 -17.012 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -1.378 -12.606 -15.285 1.00 0.00 H new ATOM 221 N PHE A 14 -2.452 -7.605 -16.504 1.00 0.00 N ATOM 222 CA PHE A 14 -2.650 -6.232 -16.052 1.00 0.00 C ATOM 223 C PHE A 14 -3.816 -5.580 -16.789 1.00 0.00 C ATOM 224 O PHE A 14 -4.641 -4.893 -16.185 1.00 0.00 O ATOM 225 CB PHE A 14 -1.375 -5.414 -16.267 1.00 0.00 C ATOM 226 CG PHE A 14 -1.561 -3.942 -16.032 1.00 0.00 C ATOM 227 CD1 PHE A 14 -2.261 -3.486 -14.926 1.00 0.00 C ATOM 228 CD2 PHE A 14 -1.037 -3.014 -16.917 1.00 0.00 C ATOM 229 CE1 PHE A 14 -2.434 -2.132 -14.708 1.00 0.00 C ATOM 230 CE2 PHE A 14 -1.207 -1.659 -16.705 1.00 0.00 C ATOM 231 CZ PHE A 14 -1.906 -1.218 -15.598 1.00 0.00 C ATOM 0 H PHE A 14 -1.573 -7.764 -16.996 1.00 0.00 H new ATOM 0 HA PHE A 14 -2.884 -6.256 -14.988 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -0.598 -5.785 -15.599 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -1.021 -5.569 -17.286 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.676 -4.197 -14.227 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -0.489 -3.354 -17.783 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.982 -1.789 -13.842 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.794 -0.946 -17.403 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.039 -0.160 -15.429 1.00 0.00 H new ATOM 241 N LEU A 15 -3.879 -5.800 -18.098 1.00 0.00 N ATOM 242 CA LEU A 15 -4.944 -5.235 -18.919 1.00 0.00 C ATOM 243 C LEU A 15 -6.308 -5.755 -18.476 1.00 0.00 C ATOM 244 O LEU A 15 -7.255 -4.984 -18.315 1.00 0.00 O ATOM 245 CB LEU A 15 -4.711 -5.571 -20.393 1.00 0.00 C ATOM 246 CG LEU A 15 -3.379 -5.109 -20.984 1.00 0.00 C ATOM 247 CD1 LEU A 15 -3.182 -5.691 -22.375 1.00 0.00 C ATOM 248 CD2 LEU A 15 -3.313 -3.589 -21.026 1.00 0.00 C ATOM 0 H LEU A 15 -3.205 -6.366 -18.613 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.931 -4.152 -18.793 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.784 -6.652 -20.515 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.518 -5.129 -20.978 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.574 -5.470 -20.344 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.229 -5.351 -22.780 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.185 -6.779 -22.318 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.991 -5.360 -23.026 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.358 -3.278 -21.450 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.126 -3.206 -21.643 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.408 -3.193 -20.015 1.00 0.00 H new ATOM 260 N LEU A 16 -6.399 -7.065 -18.278 1.00 0.00 N ATOM 261 CA LEU A 16 -7.647 -7.689 -17.850 1.00 0.00 C ATOM 262 C LEU A 16 -7.928 -7.394 -16.380 1.00 0.00 C ATOM 263 O LEU A 16 -9.077 -7.411 -15.941 1.00 0.00 O ATOM 264 CB LEU A 16 -7.589 -9.200 -18.077 1.00 0.00 C ATOM 265 CG LEU A 16 -8.933 -9.903 -18.265 1.00 0.00 C ATOM 266 CD1 LEU A 16 -9.457 -9.686 -19.676 1.00 0.00 C ATOM 267 CD2 LEU A 16 -8.804 -11.390 -17.965 1.00 0.00 C ATOM 0 H LEU A 16 -5.624 -7.716 -18.407 1.00 0.00 H new ATOM 0 HA LEU A 16 -8.457 -7.269 -18.446 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.975 -9.392 -18.957 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.079 -9.655 -17.228 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.648 -9.472 -17.564 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.415 -10.194 -19.791 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.589 -8.619 -19.855 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -8.744 -10.089 -20.395 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -9.771 -11.874 -18.104 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.074 -11.836 -18.641 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.475 -11.526 -16.935 1.00 0.00 H new ATOM 279 N LYS A 17 -6.869 -7.122 -15.624 1.00 0.00 N ATOM 280 CA LYS A 17 -7.000 -6.819 -14.204 1.00 0.00 C ATOM 281 C LYS A 17 -7.683 -5.472 -13.995 1.00 0.00 C ATOM 282 O LYS A 17 -8.700 -5.380 -13.307 1.00 0.00 O ATOM 283 CB LYS A 17 -5.624 -6.815 -13.534 1.00 0.00 C ATOM 284 CG LYS A 17 -5.643 -6.285 -12.110 1.00 0.00 C ATOM 285 CD LYS A 17 -4.264 -6.342 -11.476 1.00 0.00 C ATOM 286 CE LYS A 17 -4.061 -7.631 -10.695 1.00 0.00 C ATOM 287 NZ LYS A 17 -4.850 -7.645 -9.433 1.00 0.00 N ATOM 0 H LYS A 17 -5.910 -7.105 -15.972 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.617 -7.593 -13.748 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.228 -7.831 -13.530 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.941 -6.209 -14.129 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.003 -5.256 -12.108 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -6.344 -6.869 -11.513 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.502 -6.262 -12.252 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.133 -5.488 -10.811 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.351 -8.480 -11.314 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.003 -7.752 -10.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.468 -8.370 -8.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.789 -6.713 -8.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.844 -7.861 -9.648 1.00 0.00 H new ATOM 301 N ALA A 18 -7.119 -4.428 -14.595 1.00 0.00 N ATOM 302 CA ALA A 18 -7.677 -3.087 -14.477 1.00 0.00 C ATOM 303 C ALA A 18 -9.152 -3.069 -14.862 1.00 0.00 C ATOM 304 O ALA A 18 -9.935 -2.285 -14.324 1.00 0.00 O ATOM 305 CB ALA A 18 -6.892 -2.112 -15.343 1.00 0.00 C ATOM 0 H ALA A 18 -6.277 -4.486 -15.167 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.597 -2.778 -13.435 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.319 -1.114 -15.246 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.851 -2.095 -15.019 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.943 -2.428 -16.385 1.00 0.00 H new ATOM 311 N HIS A 19 -9.526 -3.938 -15.796 1.00 0.00 N ATOM 312 CA HIS A 19 -10.908 -4.022 -16.253 1.00 0.00 C ATOM 313 C HIS A 19 -11.826 -4.480 -15.124 1.00 0.00 C ATOM 314 O HIS A 19 -12.856 -3.861 -14.859 1.00 0.00 O ATOM 315 CB HIS A 19 -11.019 -4.982 -17.438 1.00 0.00 C ATOM 316 CG HIS A 19 -10.752 -4.333 -18.761 1.00 0.00 C ATOM 317 ND1 HIS A 19 -11.288 -3.116 -19.125 1.00 0.00 N ATOM 318 CD2 HIS A 19 -9.998 -4.739 -19.810 1.00 0.00 C ATOM 319 CE1 HIS A 19 -10.877 -2.802 -20.340 1.00 0.00 C ATOM 320 NE2 HIS A 19 -10.093 -3.770 -20.778 1.00 0.00 N ATOM 0 H HIS A 19 -8.891 -4.594 -16.251 1.00 0.00 H new ATOM 0 HA HIS A 19 -11.220 -3.027 -16.571 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -10.316 -5.803 -17.297 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -12.019 -5.416 -17.451 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -11.906 -2.547 -18.546 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -9.428 -5.654 -19.873 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -11.138 -1.906 -20.883 1.00 0.00 H new ATOM 328 N GLN A 20 -11.446 -5.569 -14.464 1.00 0.00 N ATOM 329 CA GLN A 20 -12.236 -6.111 -13.365 1.00 0.00 C ATOM 330 C GLN A 20 -12.482 -5.050 -12.297 1.00 0.00 C ATOM 331 O GLN A 20 -13.605 -4.885 -11.817 1.00 0.00 O ATOM 332 CB GLN A 20 -11.529 -7.319 -12.747 1.00 0.00 C ATOM 333 CG GLN A 20 -12.342 -8.012 -11.665 1.00 0.00 C ATOM 334 CD GLN A 20 -11.825 -9.401 -11.346 1.00 0.00 C ATOM 335 OE1 GLN A 20 -10.791 -9.824 -11.863 1.00 0.00 O ATOM 336 NE2 GLN A 20 -12.544 -10.119 -10.492 1.00 0.00 N ATOM 0 H GLN A 20 -10.596 -6.093 -14.671 1.00 0.00 H new ATOM 0 HA GLN A 20 -13.199 -6.428 -13.765 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.300 -8.037 -13.534 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -10.578 -6.996 -12.324 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -12.326 -7.406 -10.759 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -13.382 -8.080 -11.985 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -13.395 -9.728 -10.087 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.246 -11.061 -10.240 1.00 0.00 H new ATOM 345 N THR A 21 -11.426 -4.333 -11.927 1.00 0.00 N ATOM 346 CA THR A 21 -11.526 -3.290 -10.915 1.00 0.00 C ATOM 347 C THR A 21 -12.338 -2.104 -11.426 1.00 0.00 C ATOM 348 O THR A 21 -13.118 -1.508 -10.684 1.00 0.00 O ATOM 349 CB THR A 21 -10.135 -2.794 -10.478 1.00 0.00 C ATOM 350 OG1 THR A 21 -9.242 -2.792 -11.597 1.00 0.00 O ATOM 351 CG2 THR A 21 -9.569 -3.675 -9.374 1.00 0.00 C ATOM 0 H THR A 21 -10.490 -4.456 -12.314 1.00 0.00 H new ATOM 0 HA THR A 21 -12.032 -3.731 -10.056 1.00 0.00 H new ATOM 0 HB THR A 21 -10.239 -1.779 -10.095 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.734 -2.543 -12.407 1.00 0.00 H new ATOM 0 HG21 THR A 21 -8.586 -3.305 -9.082 1.00 0.00 H new ATOM 0 HG22 THR A 21 -10.236 -3.652 -8.512 1.00 0.00 H new ATOM 0 HG23 THR A 21 -9.479 -4.699 -9.736 1.00 0.00 H new ATOM 359 N ALA A 22 -12.149 -1.768 -12.697 1.00 0.00 N ATOM 360 CA ALA A 22 -12.866 -0.656 -13.308 1.00 0.00 C ATOM 361 C ALA A 22 -14.373 -0.881 -13.260 1.00 0.00 C ATOM 362 O ALA A 22 -15.116 -0.065 -12.713 1.00 0.00 O ATOM 363 CB ALA A 22 -12.406 -0.457 -14.745 1.00 0.00 C ATOM 0 H ALA A 22 -11.505 -2.250 -13.324 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.641 0.245 -12.738 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.950 0.377 -15.189 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -11.338 -0.242 -14.758 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.601 -1.363 -15.318 1.00 0.00 H new ATOM 369 N VAL A 23 -14.820 -1.993 -13.836 1.00 0.00 N ATOM 370 CA VAL A 23 -16.239 -2.325 -13.858 1.00 0.00 C ATOM 371 C VAL A 23 -16.824 -2.330 -12.450 1.00 0.00 C ATOM 372 O VAL A 23 -18.004 -2.037 -12.256 1.00 0.00 O ATOM 373 CB VAL A 23 -16.483 -3.700 -14.508 1.00 0.00 C ATOM 374 CG1 VAL A 23 -17.967 -4.036 -14.505 1.00 0.00 C ATOM 375 CG2 VAL A 23 -15.925 -3.727 -15.923 1.00 0.00 C ATOM 0 H VAL A 23 -14.219 -2.679 -14.293 1.00 0.00 H new ATOM 0 HA VAL A 23 -16.735 -1.557 -14.452 1.00 0.00 H new ATOM 0 HB VAL A 23 -15.962 -4.457 -13.922 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -18.120 -5.011 -14.968 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -18.332 -4.060 -13.478 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -18.513 -3.278 -15.066 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -16.106 -4.706 -16.367 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -16.416 -2.960 -16.522 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -14.853 -3.534 -15.895 1.00 0.00 H new ATOM 385 N ASP A 24 -15.992 -2.664 -11.470 1.00 0.00 N ATOM 386 CA ASP A 24 -16.426 -2.705 -10.079 1.00 0.00 C ATOM 387 C ASP A 24 -16.672 -1.298 -9.544 1.00 0.00 C ATOM 388 O ASP A 24 -17.658 -1.049 -8.850 1.00 0.00 O ATOM 389 CB ASP A 24 -15.381 -3.416 -9.217 1.00 0.00 C ATOM 390 CG ASP A 24 -15.662 -3.277 -7.734 1.00 0.00 C ATOM 391 OD1 ASP A 24 -16.592 -3.949 -7.240 1.00 0.00 O ATOM 392 OD2 ASP A 24 -14.952 -2.496 -7.066 1.00 0.00 O ATOM 0 H ASP A 24 -15.013 -2.910 -11.613 1.00 0.00 H new ATOM 0 HA ASP A 24 -17.363 -3.260 -10.033 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -15.355 -4.473 -9.481 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.394 -3.008 -9.437 1.00 0.00 H new ATOM 397 N LYS A 25 -15.769 -0.380 -9.872 1.00 0.00 N ATOM 398 CA LYS A 25 -15.887 1.003 -9.425 1.00 0.00 C ATOM 399 C LYS A 25 -17.232 1.595 -9.837 1.00 0.00 C ATOM 400 O LYS A 25 -17.815 2.399 -9.110 1.00 0.00 O ATOM 401 CB LYS A 25 -14.749 1.846 -10.004 1.00 0.00 C ATOM 402 CG LYS A 25 -14.587 3.197 -9.327 1.00 0.00 C ATOM 403 CD LYS A 25 -13.475 4.011 -9.966 1.00 0.00 C ATOM 404 CE LYS A 25 -12.967 5.094 -9.027 1.00 0.00 C ATOM 405 NZ LYS A 25 -12.255 4.520 -7.851 1.00 0.00 N ATOM 0 H LYS A 25 -14.947 -0.569 -10.446 1.00 0.00 H new ATOM 0 HA LYS A 25 -15.823 1.014 -8.337 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.815 1.290 -9.916 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.928 2.001 -11.068 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -15.524 3.750 -9.387 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.370 3.051 -8.269 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -12.652 3.351 -10.241 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.839 4.467 -10.886 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.295 5.759 -9.569 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -13.806 5.700 -8.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.607 5.231 -7.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.948 4.243 -7.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -11.712 3.684 -8.148 1.00 0.00 H new ATOM 419 N ILE A 26 -17.717 1.191 -11.006 1.00 0.00 N ATOM 420 CA ILE A 26 -18.994 1.680 -11.512 1.00 0.00 C ATOM 421 C ILE A 26 -20.162 1.006 -10.801 1.00 0.00 C ATOM 422 O ILE A 26 -21.265 1.547 -10.745 1.00 0.00 O ATOM 423 CB ILE A 26 -19.126 1.445 -13.029 1.00 0.00 C ATOM 424 CG1 ILE A 26 -17.873 1.938 -13.754 1.00 0.00 C ATOM 425 CG2 ILE A 26 -20.366 2.142 -13.567 1.00 0.00 C ATOM 426 CD1 ILE A 26 -17.648 3.429 -13.627 1.00 0.00 C ATOM 0 H ILE A 26 -17.246 0.527 -11.620 1.00 0.00 H new ATOM 0 HA ILE A 26 -19.022 2.752 -11.315 1.00 0.00 H new ATOM 0 HB ILE A 26 -19.229 0.375 -13.209 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -17.004 1.413 -13.358 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -17.949 1.679 -14.810 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -20.445 1.967 -14.640 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -21.251 1.747 -13.068 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -20.292 3.213 -13.379 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -16.742 3.707 -14.165 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -18.500 3.963 -14.049 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -17.540 3.692 -12.575 1.00 0.00 H new ATOM 438 N GLY A 27 -19.910 -0.180 -10.255 1.00 0.00 N ATOM 439 CA GLY A 27 -20.950 -0.909 -9.553 1.00 0.00 C ATOM 440 C GLY A 27 -22.041 -1.404 -10.482 1.00 0.00 C ATOM 441 O GLY A 27 -23.161 -1.673 -10.048 1.00 0.00 O ATOM 0 H GLY A 27 -19.005 -0.649 -10.286 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -20.506 -1.759 -9.034 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -21.390 -0.265 -8.792 1.00 0.00 H new ATOM 445 N HIS A 28 -21.715 -1.522 -11.765 1.00 0.00 N ATOM 446 CA HIS A 28 -22.676 -1.986 -12.759 1.00 0.00 C ATOM 447 C HIS A 28 -22.087 -3.115 -13.599 1.00 0.00 C ATOM 448 O HIS A 28 -20.870 -3.261 -13.721 1.00 0.00 O ATOM 449 CB HIS A 28 -23.104 -0.830 -13.664 1.00 0.00 C ATOM 450 CG HIS A 28 -24.241 -0.026 -13.112 1.00 0.00 C ATOM 451 ND1 HIS A 28 -24.232 0.517 -11.845 1.00 0.00 N ATOM 452 CD2 HIS A 28 -25.425 0.326 -13.663 1.00 0.00 C ATOM 453 CE1 HIS A 28 -25.363 1.168 -11.640 1.00 0.00 C ATOM 454 NE2 HIS A 28 -26.105 1.068 -12.729 1.00 0.00 N ATOM 0 H HIS A 28 -20.792 -1.303 -12.141 1.00 0.00 H new ATOM 0 HA HIS A 28 -23.551 -2.368 -12.232 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -22.250 -0.172 -13.827 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -23.390 -1.228 -14.637 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -25.771 0.071 -14.654 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -25.635 1.693 -10.736 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -27.032 1.475 -12.855 1.00 0.00 H new ATOM 462 N PRO A 29 -22.968 -3.933 -14.193 1.00 0.00 N ATOM 463 CA PRO A 29 -22.557 -5.063 -15.032 1.00 0.00 C ATOM 464 C PRO A 29 -21.940 -4.612 -16.351 1.00 0.00 C ATOM 465 O PRO A 29 -22.313 -3.575 -16.900 1.00 0.00 O ATOM 466 CB PRO A 29 -23.869 -5.812 -15.284 1.00 0.00 C ATOM 467 CG PRO A 29 -24.930 -4.777 -15.138 1.00 0.00 C ATOM 468 CD PRO A 29 -24.432 -3.819 -14.091 1.00 0.00 C ATOM 0 HA PRO A 29 -21.789 -5.669 -14.552 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -23.885 -6.258 -16.278 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -24.006 -6.623 -14.568 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -25.108 -4.264 -16.083 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -25.876 -5.227 -14.837 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -24.770 -2.801 -14.284 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -24.788 -4.090 -13.097 1.00 0.00 H new ATOM 476 N SER A 30 -20.992 -5.396 -16.855 1.00 0.00 N ATOM 477 CA SER A 30 -20.320 -5.075 -18.108 1.00 0.00 C ATOM 478 C SER A 30 -20.513 -6.191 -19.130 1.00 0.00 C ATOM 479 O SER A 30 -19.731 -6.329 -20.072 1.00 0.00 O ATOM 480 CB SER A 30 -18.828 -4.842 -17.866 1.00 0.00 C ATOM 481 OG SER A 30 -18.163 -4.498 -19.069 1.00 0.00 O ATOM 0 H SER A 30 -20.672 -6.258 -16.414 1.00 0.00 H new ATOM 0 HA SER A 30 -20.763 -4.162 -18.505 1.00 0.00 H new ATOM 0 HB2 SER A 30 -18.695 -4.046 -17.133 1.00 0.00 H new ATOM 0 HB3 SER A 30 -18.380 -5.742 -17.444 1.00 0.00 H new ATOM 0 HG SER A 30 -18.535 -5.021 -19.810 1.00 0.00 H new ATOM 487 N HIS A 31 -21.560 -6.987 -18.937 1.00 0.00 N ATOM 488 CA HIS A 31 -21.857 -8.092 -19.841 1.00 0.00 C ATOM 489 C HIS A 31 -23.254 -7.946 -20.437 1.00 0.00 C ATOM 490 O HIS A 31 -24.255 -8.218 -19.774 1.00 0.00 O ATOM 491 CB HIS A 31 -21.742 -9.427 -19.105 1.00 0.00 C ATOM 492 CG HIS A 31 -22.512 -9.472 -17.821 1.00 0.00 C ATOM 493 ND1 HIS A 31 -23.744 -10.080 -17.703 1.00 0.00 N ATOM 494 CD2 HIS A 31 -22.218 -8.980 -16.595 1.00 0.00 C ATOM 495 CE1 HIS A 31 -24.175 -9.959 -16.460 1.00 0.00 C ATOM 496 NE2 HIS A 31 -23.267 -9.296 -15.767 1.00 0.00 N ATOM 0 H HIS A 31 -22.217 -6.887 -18.163 1.00 0.00 H new ATOM 0 HA HIS A 31 -21.130 -8.069 -20.653 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -22.095 -10.224 -19.759 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -20.691 -9.628 -18.896 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -21.325 -8.439 -16.319 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -25.111 -10.338 -16.076 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -23.334 -9.057 -14.778 1.00 0.00 H new ATOM 504 N LYS A 32 -23.314 -7.514 -21.692 1.00 0.00 N ATOM 505 CA LYS A 32 -24.587 -7.331 -22.379 1.00 0.00 C ATOM 506 C LYS A 32 -24.446 -7.613 -23.871 1.00 0.00 C ATOM 507 O LYS A 32 -23.455 -7.230 -24.493 1.00 0.00 O ATOM 508 CB LYS A 32 -25.106 -5.907 -22.165 1.00 0.00 C ATOM 509 CG LYS A 32 -24.045 -4.838 -22.358 1.00 0.00 C ATOM 510 CD LYS A 32 -24.592 -3.450 -22.070 1.00 0.00 C ATOM 511 CE LYS A 32 -24.563 -3.137 -20.582 1.00 0.00 C ATOM 512 NZ LYS A 32 -25.181 -1.816 -20.281 1.00 0.00 N ATOM 0 H LYS A 32 -22.495 -7.284 -22.255 1.00 0.00 H new ATOM 0 HA LYS A 32 -25.302 -8.039 -21.960 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -25.927 -5.721 -22.857 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -25.513 -5.825 -21.157 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -23.200 -5.040 -21.700 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -23.670 -4.877 -23.381 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -24.005 -2.707 -22.611 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -25.615 -3.377 -22.438 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -25.092 -3.918 -20.036 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -23.532 -3.144 -20.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -25.142 -1.640 -19.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -24.661 -1.067 -20.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -26.173 -1.817 -20.594 1.00 0.00 H new ATOM 526 N GLN A 33 -25.444 -8.283 -24.440 1.00 0.00 N ATOM 527 CA GLN A 33 -25.430 -8.615 -25.859 1.00 0.00 C ATOM 528 C GLN A 33 -25.983 -7.463 -26.693 1.00 0.00 C ATOM 529 O GLN A 33 -27.180 -7.178 -26.660 1.00 0.00 O ATOM 530 CB GLN A 33 -26.244 -9.884 -26.116 1.00 0.00 C ATOM 531 CG GLN A 33 -25.766 -10.680 -27.320 1.00 0.00 C ATOM 532 CD GLN A 33 -25.539 -9.812 -28.542 1.00 0.00 C ATOM 533 OE1 GLN A 33 -26.489 -9.328 -29.158 1.00 0.00 O ATOM 534 NE2 GLN A 33 -24.277 -9.610 -28.899 1.00 0.00 N ATOM 0 H GLN A 33 -26.272 -8.606 -23.939 1.00 0.00 H new ATOM 0 HA GLN A 33 -24.396 -8.790 -26.155 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -26.201 -10.519 -25.231 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -27.289 -9.612 -26.263 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -24.838 -11.193 -27.066 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -26.501 -11.449 -27.557 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -23.521 -10.031 -28.359 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -24.063 -9.034 -29.713 1.00 0.00 H new ATOM 543 N THR A 34 -25.103 -6.804 -27.440 1.00 0.00 N ATOM 544 CA THR A 34 -25.503 -5.683 -28.281 1.00 0.00 C ATOM 545 C THR A 34 -24.648 -5.608 -29.541 1.00 0.00 C ATOM 546 O THR A 34 -23.545 -6.152 -29.605 1.00 0.00 O ATOM 547 CB THR A 34 -25.398 -4.346 -27.523 1.00 0.00 C ATOM 548 OG1 THR A 34 -24.349 -4.415 -26.551 1.00 0.00 O ATOM 549 CG2 THR A 34 -26.712 -4.011 -26.834 1.00 0.00 C ATOM 0 H THR A 34 -24.109 -7.027 -27.480 1.00 0.00 H new ATOM 0 HA THR A 34 -26.543 -5.853 -28.560 1.00 0.00 H new ATOM 0 HB THR A 34 -25.173 -3.561 -28.245 1.00 0.00 H new ATOM 0 HG1 THR A 34 -23.581 -4.891 -26.931 1.00 0.00 H new ATOM 0 HG21 THR A 34 -26.614 -3.063 -26.305 1.00 0.00 H new ATOM 0 HG22 THR A 34 -27.503 -3.931 -27.579 1.00 0.00 H new ATOM 0 HG23 THR A 34 -26.961 -4.799 -26.123 1.00 0.00 H new ATOM 557 N PRO A 35 -25.165 -4.917 -30.568 1.00 0.00 N ATOM 558 CA PRO A 35 -24.463 -4.753 -31.844 1.00 0.00 C ATOM 559 C PRO A 35 -23.242 -3.848 -31.723 1.00 0.00 C ATOM 560 O PRO A 35 -22.301 -3.951 -32.509 1.00 0.00 O ATOM 561 CB PRO A 35 -25.518 -4.110 -32.748 1.00 0.00 C ATOM 562 CG PRO A 35 -26.442 -3.410 -31.813 1.00 0.00 C ATOM 563 CD PRO A 35 -26.473 -4.242 -30.561 1.00 0.00 C ATOM 0 HA PRO A 35 -24.077 -5.700 -32.222 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -25.064 -3.413 -33.452 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -26.045 -4.860 -33.337 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -26.092 -2.400 -31.602 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -27.438 -3.318 -32.245 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -26.602 -3.625 -29.672 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -27.295 -4.958 -30.574 1.00 0.00 H new ATOM 571 N ALA A 36 -23.264 -2.962 -30.733 1.00 0.00 N ATOM 572 CA ALA A 36 -22.157 -2.041 -30.507 1.00 0.00 C ATOM 573 C ALA A 36 -20.925 -2.778 -29.993 1.00 0.00 C ATOM 574 O ALA A 36 -19.793 -2.362 -30.239 1.00 0.00 O ATOM 575 CB ALA A 36 -22.568 -0.950 -29.530 1.00 0.00 C ATOM 0 H ALA A 36 -24.037 -2.862 -30.074 1.00 0.00 H new ATOM 0 HA ALA A 36 -21.900 -1.580 -31.461 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -21.731 -0.270 -29.371 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -23.413 -0.396 -29.938 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -22.854 -1.401 -28.580 1.00 0.00 H new ATOM 581 N ASP A 37 -21.154 -3.874 -29.277 1.00 0.00 N ATOM 582 CA ASP A 37 -20.062 -4.670 -28.727 1.00 0.00 C ATOM 583 C ASP A 37 -19.179 -5.224 -29.841 1.00 0.00 C ATOM 584 O ASP A 37 -17.974 -5.404 -29.661 1.00 0.00 O ATOM 585 CB ASP A 37 -20.615 -5.816 -27.880 1.00 0.00 C ATOM 586 CG ASP A 37 -20.845 -5.411 -26.437 1.00 0.00 C ATOM 587 OD1 ASP A 37 -19.868 -5.011 -25.770 1.00 0.00 O ATOM 588 OD2 ASP A 37 -22.002 -5.494 -25.974 1.00 0.00 O ATOM 0 H ASP A 37 -22.085 -4.231 -29.064 1.00 0.00 H new ATOM 0 HA ASP A 37 -19.455 -4.022 -28.095 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -21.554 -6.162 -28.311 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -19.921 -6.656 -27.912 1.00 0.00 H new ATOM 593 N HIS A 38 -19.787 -5.493 -30.992 1.00 0.00 N ATOM 594 CA HIS A 38 -19.056 -6.028 -32.136 1.00 0.00 C ATOM 595 C HIS A 38 -17.970 -5.056 -32.589 1.00 0.00 C ATOM 596 O HIS A 38 -16.965 -5.462 -33.172 1.00 0.00 O ATOM 597 CB HIS A 38 -20.015 -6.314 -33.292 1.00 0.00 C ATOM 598 CG HIS A 38 -19.402 -7.127 -34.391 1.00 0.00 C ATOM 599 ND1 HIS A 38 -19.676 -8.465 -34.580 1.00 0.00 N ATOM 600 CD2 HIS A 38 -18.525 -6.783 -35.363 1.00 0.00 C ATOM 601 CE1 HIS A 38 -18.993 -8.909 -35.620 1.00 0.00 C ATOM 602 NE2 HIS A 38 -18.287 -7.908 -36.114 1.00 0.00 N ATOM 0 H HIS A 38 -20.783 -5.350 -31.158 1.00 0.00 H new ATOM 0 HA HIS A 38 -18.581 -6.960 -31.829 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -20.889 -6.839 -32.907 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -20.367 -5.368 -33.704 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -18.093 -5.806 -35.519 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -19.009 -9.919 -36.002 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -17.666 -7.962 -36.922 1.00 0.00 H new ATOM 610 N ALA A 39 -18.180 -3.773 -32.316 1.00 0.00 N ATOM 611 CA ALA A 39 -17.218 -2.744 -32.694 1.00 0.00 C ATOM 612 C ALA A 39 -16.144 -2.577 -31.624 1.00 0.00 C ATOM 613 O ALA A 39 -15.032 -2.137 -31.912 1.00 0.00 O ATOM 614 CB ALA A 39 -17.929 -1.422 -32.942 1.00 0.00 C ATOM 0 H ALA A 39 -19.007 -3.421 -31.835 1.00 0.00 H new ATOM 0 HA ALA A 39 -16.729 -3.059 -33.616 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -17.199 -0.663 -33.223 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -18.654 -1.544 -33.747 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -18.445 -1.110 -32.034 1.00 0.00 H new ATOM 620 N ALA A 40 -16.485 -2.931 -30.389 1.00 0.00 N ATOM 621 CA ALA A 40 -15.550 -2.822 -29.277 1.00 0.00 C ATOM 622 C ALA A 40 -14.225 -3.503 -29.604 1.00 0.00 C ATOM 623 O ALA A 40 -13.171 -3.100 -29.113 1.00 0.00 O ATOM 624 CB ALA A 40 -16.156 -3.419 -28.016 1.00 0.00 C ATOM 0 H ALA A 40 -17.403 -3.296 -30.134 1.00 0.00 H new ATOM 0 HA ALA A 40 -15.352 -1.764 -29.105 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -15.446 -3.330 -27.194 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -17.072 -2.884 -27.764 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -16.385 -4.471 -28.185 1.00 0.00 H new ATOM 630 N ILE A 41 -14.288 -4.538 -30.435 1.00 0.00 N ATOM 631 CA ILE A 41 -13.093 -5.276 -30.828 1.00 0.00 C ATOM 632 C ILE A 41 -12.016 -4.335 -31.357 1.00 0.00 C ATOM 633 O ILE A 41 -10.823 -4.603 -31.220 1.00 0.00 O ATOM 634 CB ILE A 41 -13.411 -6.331 -31.903 1.00 0.00 C ATOM 635 CG1 ILE A 41 -13.825 -5.651 -33.210 1.00 0.00 C ATOM 636 CG2 ILE A 41 -14.505 -7.269 -31.418 1.00 0.00 C ATOM 637 CD1 ILE A 41 -14.139 -6.624 -34.324 1.00 0.00 C ATOM 0 H ILE A 41 -15.153 -4.885 -30.849 1.00 0.00 H new ATOM 0 HA ILE A 41 -12.725 -5.780 -29.935 1.00 0.00 H new ATOM 0 HB ILE A 41 -12.513 -6.919 -32.090 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -14.700 -5.028 -33.025 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -13.024 -4.986 -33.534 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -14.718 -8.009 -32.189 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -14.175 -7.775 -30.511 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -15.408 -6.696 -31.205 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -14.425 -6.072 -35.219 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -13.258 -7.230 -34.537 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -14.961 -7.272 -34.020 1.00 0.00 H new ATOM 649 N GLU A 42 -12.446 -3.231 -31.960 1.00 0.00 N ATOM 650 CA GLU A 42 -11.517 -2.250 -32.509 1.00 0.00 C ATOM 651 C GLU A 42 -10.486 -1.833 -31.464 1.00 0.00 C ATOM 652 O GLU A 42 -9.342 -1.522 -31.795 1.00 0.00 O ATOM 653 CB GLU A 42 -12.277 -1.021 -33.011 1.00 0.00 C ATOM 654 CG GLU A 42 -12.802 -0.132 -31.896 1.00 0.00 C ATOM 655 CD GLU A 42 -13.862 0.840 -32.375 1.00 0.00 C ATOM 656 OE1 GLU A 42 -13.493 1.937 -32.844 1.00 0.00 O ATOM 657 OE2 GLU A 42 -15.061 0.504 -32.281 1.00 0.00 O ATOM 0 H GLU A 42 -13.431 -2.994 -32.081 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.994 -2.711 -33.346 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.619 -0.435 -33.652 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -13.114 -1.349 -33.627 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -13.217 -0.756 -31.104 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.973 0.426 -31.460 1.00 0.00 H new ATOM 664 N ALA A 43 -10.901 -1.828 -30.202 1.00 0.00 N ATOM 665 CA ALA A 43 -10.014 -1.451 -29.108 1.00 0.00 C ATOM 666 C ALA A 43 -9.069 -2.592 -28.748 1.00 0.00 C ATOM 667 O ALA A 43 -7.859 -2.395 -28.628 1.00 0.00 O ATOM 668 CB ALA A 43 -10.826 -1.032 -27.891 1.00 0.00 C ATOM 0 H ALA A 43 -11.846 -2.081 -29.912 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.411 -0.605 -29.438 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.151 -0.753 -27.082 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.455 -0.180 -28.149 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.454 -1.862 -27.569 1.00 0.00 H new ATOM 674 N LEU A 44 -9.628 -3.785 -28.578 1.00 0.00 N ATOM 675 CA LEU A 44 -8.835 -4.959 -28.231 1.00 0.00 C ATOM 676 C LEU A 44 -7.720 -5.182 -29.248 1.00 0.00 C ATOM 677 O LEU A 44 -6.568 -5.416 -28.880 1.00 0.00 O ATOM 678 CB LEU A 44 -9.728 -6.199 -28.157 1.00 0.00 C ATOM 679 CG LEU A 44 -10.927 -6.106 -27.213 1.00 0.00 C ATOM 680 CD1 LEU A 44 -12.001 -7.105 -27.614 1.00 0.00 C ATOM 681 CD2 LEU A 44 -10.492 -6.339 -25.773 1.00 0.00 C ATOM 0 H LEU A 44 -10.627 -3.965 -28.675 1.00 0.00 H new ATOM 0 HA LEU A 44 -8.383 -4.786 -27.254 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.096 -6.418 -29.159 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.115 -7.046 -27.851 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.346 -5.103 -27.288 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -12.846 -7.024 -26.931 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -12.334 -6.893 -28.630 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -11.593 -8.115 -27.569 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.358 -6.269 -25.115 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.047 -7.330 -25.683 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -9.758 -5.585 -25.488 1.00 0.00 H new ATOM 693 N ASP A 45 -8.069 -5.107 -30.527 1.00 0.00 N ATOM 694 CA ASP A 45 -7.097 -5.297 -31.598 1.00 0.00 C ATOM 695 C ASP A 45 -5.905 -4.362 -31.422 1.00 0.00 C ATOM 696 O ASP A 45 -4.763 -4.809 -31.314 1.00 0.00 O ATOM 697 CB ASP A 45 -7.752 -5.058 -32.959 1.00 0.00 C ATOM 698 CG ASP A 45 -7.093 -5.857 -34.067 1.00 0.00 C ATOM 699 OD1 ASP A 45 -6.605 -6.972 -33.786 1.00 0.00 O ATOM 700 OD2 ASP A 45 -7.065 -5.367 -35.215 1.00 0.00 O ATOM 0 H ASP A 45 -9.018 -4.916 -30.848 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.739 -6.326 -31.552 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.808 -5.323 -32.902 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -7.702 -3.996 -33.202 1.00 0.00 H new ATOM 705 N ARG A 46 -6.178 -3.061 -31.395 1.00 0.00 N ATOM 706 CA ARG A 46 -5.128 -2.063 -31.234 1.00 0.00 C ATOM 707 C ARG A 46 -4.312 -2.330 -29.973 1.00 0.00 C ATOM 708 O ARG A 46 -3.092 -2.158 -29.962 1.00 0.00 O ATOM 709 CB ARG A 46 -5.735 -0.659 -31.174 1.00 0.00 C ATOM 710 CG ARG A 46 -4.730 0.423 -30.815 1.00 0.00 C ATOM 711 CD ARG A 46 -5.312 1.813 -31.021 1.00 0.00 C ATOM 712 NE ARG A 46 -5.492 2.128 -32.435 1.00 0.00 N ATOM 713 CZ ARG A 46 -6.032 3.260 -32.873 1.00 0.00 C ATOM 714 NH1 ARG A 46 -6.442 4.180 -32.011 1.00 0.00 N ATOM 715 NH2 ARG A 46 -6.162 3.473 -34.176 1.00 0.00 N ATOM 0 H ARG A 46 -7.118 -2.674 -31.483 1.00 0.00 H new ATOM 0 HA ARG A 46 -4.464 -2.129 -32.096 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.181 -0.423 -32.140 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -6.542 -0.652 -30.441 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.423 0.306 -29.776 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.835 0.308 -31.426 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.272 1.883 -30.509 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -4.653 2.553 -30.566 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.186 1.441 -33.125 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -6.343 4.020 -31.009 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.856 5.048 -32.350 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.847 2.767 -34.842 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -6.577 4.342 -34.512 1.00 0.00 H new ATOM 729 N LEU A 47 -4.992 -2.751 -28.913 1.00 0.00 N ATOM 730 CA LEU A 47 -4.330 -3.042 -27.646 1.00 0.00 C ATOM 731 C LEU A 47 -3.354 -4.204 -27.796 1.00 0.00 C ATOM 732 O LEU A 47 -2.176 -4.088 -27.453 1.00 0.00 O ATOM 733 CB LEU A 47 -5.367 -3.368 -26.569 1.00 0.00 C ATOM 734 CG LEU A 47 -4.827 -4.006 -25.289 1.00 0.00 C ATOM 735 CD1 LEU A 47 -3.691 -3.174 -24.716 1.00 0.00 C ATOM 736 CD2 LEU A 47 -5.941 -4.170 -24.264 1.00 0.00 C ATOM 0 H LEU A 47 -6.001 -2.899 -28.905 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.769 -2.157 -27.346 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -5.885 -2.447 -26.301 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -6.110 -4.039 -27.000 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.438 -4.994 -25.534 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.319 -3.644 -23.805 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.884 -3.108 -25.446 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.054 -2.172 -24.486 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.539 -4.626 -23.359 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -6.360 -3.193 -24.023 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -6.723 -4.809 -24.675 1.00 0.00 H new ATOM 748 N LEU A 48 -3.849 -5.323 -28.312 1.00 0.00 N ATOM 749 CA LEU A 48 -3.020 -6.507 -28.510 1.00 0.00 C ATOM 750 C LEU A 48 -1.794 -6.177 -29.355 1.00 0.00 C ATOM 751 O LEU A 48 -0.663 -6.485 -28.975 1.00 0.00 O ATOM 752 CB LEU A 48 -3.832 -7.617 -29.180 1.00 0.00 C ATOM 753 CG LEU A 48 -5.050 -8.119 -28.404 1.00 0.00 C ATOM 754 CD1 LEU A 48 -6.023 -8.824 -29.336 1.00 0.00 C ATOM 755 CD2 LEU A 48 -4.619 -9.048 -27.278 1.00 0.00 C ATOM 0 H LEU A 48 -4.821 -5.436 -28.601 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.683 -6.852 -27.533 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.169 -7.257 -30.152 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -3.170 -8.463 -29.365 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.557 -7.260 -27.965 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.884 -9.174 -28.766 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.357 -8.129 -30.107 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.527 -9.674 -29.804 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.499 -9.396 -26.736 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.088 -9.904 -27.695 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.961 -8.511 -26.595 1.00 0.00 H new ATOM 767 N LEU A 49 -2.024 -5.549 -30.502 1.00 0.00 N ATOM 768 CA LEU A 49 -0.938 -5.174 -31.401 1.00 0.00 C ATOM 769 C LEU A 49 0.069 -4.274 -30.693 1.00 0.00 C ATOM 770 O LEU A 49 1.280 -4.444 -30.840 1.00 0.00 O ATOM 771 CB LEU A 49 -1.494 -4.465 -32.637 1.00 0.00 C ATOM 772 CG LEU A 49 -2.190 -5.355 -33.666 1.00 0.00 C ATOM 773 CD1 LEU A 49 -2.858 -4.510 -34.740 1.00 0.00 C ATOM 774 CD2 LEU A 49 -1.198 -6.326 -34.290 1.00 0.00 C ATOM 0 H LEU A 49 -2.953 -5.288 -30.832 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.426 -6.085 -31.712 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.201 -3.704 -32.307 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.674 -3.945 -33.132 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.961 -5.932 -33.155 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.348 -5.162 -35.463 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.599 -3.856 -34.280 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.106 -3.906 -35.247 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.711 -6.952 -35.020 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.404 -5.767 -34.785 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.767 -6.956 -33.512 1.00 0.00 H new ATOM 786 N ASP A 50 -0.439 -3.317 -29.925 1.00 0.00 N ATOM 787 CA ASP A 50 0.416 -2.391 -29.191 1.00 0.00 C ATOM 788 C ASP A 50 1.359 -3.145 -28.258 1.00 0.00 C ATOM 789 O ASP A 50 2.580 -3.051 -28.384 1.00 0.00 O ATOM 790 CB ASP A 50 -0.435 -1.405 -28.389 1.00 0.00 C ATOM 791 CG ASP A 50 -0.931 -0.248 -29.234 1.00 0.00 C ATOM 792 OD1 ASP A 50 -0.286 0.057 -30.259 1.00 0.00 O ATOM 793 OD2 ASP A 50 -1.963 0.353 -28.869 1.00 0.00 O ATOM 0 H ASP A 50 -1.439 -3.162 -29.794 1.00 0.00 H new ATOM 0 HA ASP A 50 1.015 -1.837 -29.914 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.289 -1.931 -27.961 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.151 -1.018 -27.556 1.00 0.00 H new ATOM 798 N VAL A 51 0.783 -3.891 -27.321 1.00 0.00 N ATOM 799 CA VAL A 51 1.572 -4.661 -26.366 1.00 0.00 C ATOM 800 C VAL A 51 2.436 -5.698 -27.076 1.00 0.00 C ATOM 801 O VAL A 51 3.476 -6.110 -26.563 1.00 0.00 O ATOM 802 CB VAL A 51 0.671 -5.375 -25.341 1.00 0.00 C ATOM 803 CG1 VAL A 51 -0.203 -6.413 -26.028 1.00 0.00 C ATOM 804 CG2 VAL A 51 1.513 -6.015 -24.247 1.00 0.00 C ATOM 0 H VAL A 51 -0.226 -3.979 -27.203 1.00 0.00 H new ATOM 0 HA VAL A 51 2.215 -3.953 -25.843 1.00 0.00 H new ATOM 0 HB VAL A 51 0.018 -4.634 -24.880 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.832 -6.907 -25.287 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.833 -5.924 -26.771 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.429 -7.153 -26.519 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.860 -6.515 -23.531 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.192 -6.744 -24.690 1.00 0.00 H new ATOM 0 HG23 VAL A 51 2.091 -5.245 -23.735 1.00 0.00 H new ATOM 814 N ARG A 52 1.997 -6.115 -28.259 1.00 0.00 N ATOM 815 CA ARG A 52 2.730 -7.104 -29.040 1.00 0.00 C ATOM 816 C ARG A 52 3.954 -6.477 -29.700 1.00 0.00 C ATOM 817 O ARG A 52 4.977 -7.136 -29.885 1.00 0.00 O ATOM 818 CB ARG A 52 1.821 -7.719 -30.106 1.00 0.00 C ATOM 819 CG ARG A 52 2.480 -8.837 -30.898 1.00 0.00 C ATOM 820 CD ARG A 52 2.520 -10.133 -30.104 1.00 0.00 C ATOM 821 NE ARG A 52 3.184 -11.205 -30.841 1.00 0.00 N ATOM 822 CZ ARG A 52 4.504 -11.336 -30.918 1.00 0.00 C ATOM 823 NH1 ARG A 52 5.296 -10.466 -30.307 1.00 0.00 N ATOM 824 NH2 ARG A 52 5.034 -12.338 -31.607 1.00 0.00 N ATOM 0 H ARG A 52 1.138 -5.784 -28.697 1.00 0.00 H new ATOM 0 HA ARG A 52 3.066 -7.889 -28.362 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.923 -8.106 -29.626 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.502 -6.937 -30.795 1.00 0.00 H new ATOM 0 HG2 ARG A 52 1.935 -8.996 -31.828 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.494 -8.544 -31.169 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.040 -9.965 -29.161 1.00 0.00 H new ATOM 0 HD3 ARG A 52 1.503 -10.438 -29.857 1.00 0.00 H new ATOM 0 HE ARG A 52 2.603 -11.891 -31.323 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.892 -9.694 -29.776 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.309 -10.569 -30.367 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.428 -13.009 -32.079 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.048 -12.437 -31.665 1.00 0.00 H new ATOM 838 N ALA A 53 3.841 -5.201 -30.054 1.00 0.00 N ATOM 839 CA ALA A 53 4.939 -4.485 -30.692 1.00 0.00 C ATOM 840 C ALA A 53 5.722 -3.663 -29.675 1.00 0.00 C ATOM 841 O ALA A 53 6.350 -2.663 -30.023 1.00 0.00 O ATOM 842 CB ALA A 53 4.409 -3.590 -31.803 1.00 0.00 C ATOM 0 H ALA A 53 3.000 -4.642 -29.910 1.00 0.00 H new ATOM 0 HA ALA A 53 5.618 -5.220 -31.125 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.239 -3.061 -32.271 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.900 -4.200 -32.550 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.708 -2.868 -31.385 1.00 0.00 H new ATOM 848 N ARG A 54 5.681 -4.090 -28.417 1.00 0.00 N ATOM 849 CA ARG A 54 6.386 -3.391 -27.350 1.00 0.00 C ATOM 850 C ARG A 54 6.032 -1.907 -27.345 1.00 0.00 C ATOM 851 O ARG A 54 6.907 -1.051 -27.213 1.00 0.00 O ATOM 852 CB ARG A 54 7.897 -3.566 -27.508 1.00 0.00 C ATOM 853 CG ARG A 54 8.331 -5.015 -27.657 1.00 0.00 C ATOM 854 CD ARG A 54 9.831 -5.127 -27.883 1.00 0.00 C ATOM 855 NE ARG A 54 10.195 -6.390 -28.521 1.00 0.00 N ATOM 856 CZ ARG A 54 11.447 -6.741 -28.793 1.00 0.00 C ATOM 857 NH1 ARG A 54 12.449 -5.930 -28.483 1.00 0.00 N ATOM 858 NH2 ARG A 54 11.698 -7.907 -29.374 1.00 0.00 N ATOM 0 H ARG A 54 5.167 -4.917 -28.112 1.00 0.00 H new ATOM 0 HA ARG A 54 6.075 -3.824 -26.399 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.230 -3.005 -28.381 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.397 -3.133 -26.641 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.054 -5.573 -26.762 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.801 -5.471 -28.493 1.00 0.00 H new ATOM 0 HD2 ARG A 54 10.167 -4.297 -28.504 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.349 -5.041 -26.928 1.00 0.00 H new ATOM 0 HE ARG A 54 9.447 -7.037 -28.771 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.260 -5.034 -28.034 1.00 0.00 H new ATOM 0 HH12 ARG A 54 13.409 -6.202 -28.693 1.00 0.00 H new ATOM 0 HH21 ARG A 54 10.930 -8.534 -29.612 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.659 -8.176 -29.583 1.00 0.00 H new ATOM 872 N ARG A 55 4.745 -1.610 -27.490 1.00 0.00 N ATOM 873 CA ARG A 55 4.276 -0.230 -27.504 1.00 0.00 C ATOM 874 C ARG A 55 3.566 0.116 -26.198 1.00 0.00 C ATOM 875 O ARG A 55 2.709 0.999 -26.160 1.00 0.00 O ATOM 876 CB ARG A 55 3.332 -0.002 -28.686 1.00 0.00 C ATOM 877 CG ARG A 55 4.028 -0.040 -30.037 1.00 0.00 C ATOM 878 CD ARG A 55 3.038 0.133 -31.178 1.00 0.00 C ATOM 879 NE ARG A 55 3.696 0.111 -32.482 1.00 0.00 N ATOM 880 CZ ARG A 55 3.046 -0.039 -33.631 1.00 0.00 C ATOM 881 NH1 ARG A 55 1.728 -0.179 -33.637 1.00 0.00 N ATOM 882 NH2 ARG A 55 3.716 -0.049 -34.776 1.00 0.00 N ATOM 0 H ARG A 55 4.008 -2.307 -27.599 1.00 0.00 H new ATOM 0 HA ARG A 55 5.144 0.421 -27.610 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.551 -0.762 -28.668 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.841 0.964 -28.567 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.779 0.748 -30.083 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.554 -0.988 -30.150 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.293 -0.661 -31.135 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.506 1.077 -31.056 1.00 0.00 H new ATOM 0 HE ARG A 55 4.710 0.217 -32.512 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.210 -0.172 -32.758 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.231 -0.294 -34.520 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.730 0.058 -34.774 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.217 -0.164 -35.658 1.00 0.00 H new ATOM 896 N VAL A 56 3.928 -0.586 -25.129 1.00 0.00 N ATOM 897 CA VAL A 56 3.327 -0.353 -23.822 1.00 0.00 C ATOM 898 C VAL A 56 4.383 0.028 -22.791 1.00 0.00 C ATOM 899 O VAL A 56 5.507 -0.474 -22.824 1.00 0.00 O ATOM 900 CB VAL A 56 2.565 -1.596 -23.325 1.00 0.00 C ATOM 901 CG1 VAL A 56 1.968 -1.342 -21.949 1.00 0.00 C ATOM 902 CG2 VAL A 56 1.484 -1.991 -24.319 1.00 0.00 C ATOM 0 H VAL A 56 4.635 -1.321 -25.143 1.00 0.00 H new ATOM 0 HA VAL A 56 2.624 0.472 -23.940 1.00 0.00 H new ATOM 0 HB VAL A 56 3.270 -2.423 -23.242 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.434 -2.231 -21.614 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.766 -1.111 -21.243 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.276 -0.501 -22.002 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.956 -2.871 -23.952 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.779 -1.168 -24.437 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.941 -2.218 -25.282 1.00 0.00 H new ATOM 912 N ASP A 57 4.015 0.917 -21.876 1.00 0.00 N ATOM 913 CA ASP A 57 4.931 1.365 -20.833 1.00 0.00 C ATOM 914 C ASP A 57 4.290 1.237 -19.455 1.00 0.00 C ATOM 915 O ASP A 57 3.145 0.803 -19.331 1.00 0.00 O ATOM 916 CB ASP A 57 5.351 2.815 -21.081 1.00 0.00 C ATOM 917 CG ASP A 57 4.289 3.807 -20.649 1.00 0.00 C ATOM 918 OD1 ASP A 57 3.199 3.812 -21.258 1.00 0.00 O ATOM 919 OD2 ASP A 57 4.548 4.579 -19.702 1.00 0.00 O ATOM 0 H ASP A 57 3.089 1.342 -21.835 1.00 0.00 H new ATOM 0 HA ASP A 57 5.815 0.729 -20.863 1.00 0.00 H new ATOM 0 HB2 ASP A 57 6.276 3.020 -20.542 1.00 0.00 H new ATOM 0 HB3 ASP A 57 5.563 2.953 -22.141 1.00 0.00 H new ATOM 924 N GLN A 58 5.037 1.616 -18.423 1.00 0.00 N ATOM 925 CA GLN A 58 4.541 1.541 -17.053 1.00 0.00 C ATOM 926 C GLN A 58 3.944 2.875 -16.617 1.00 0.00 C ATOM 927 O GLN A 58 4.437 3.939 -16.991 1.00 0.00 O ATOM 928 CB GLN A 58 5.669 1.138 -16.102 1.00 0.00 C ATOM 929 CG GLN A 58 6.841 2.105 -16.103 1.00 0.00 C ATOM 930 CD GLN A 58 7.905 1.732 -17.115 1.00 0.00 C ATOM 931 OE1 GLN A 58 8.025 0.571 -17.508 1.00 0.00 O ATOM 932 NE2 GLN A 58 8.686 2.716 -17.545 1.00 0.00 N ATOM 0 H GLN A 58 5.987 1.978 -18.509 1.00 0.00 H new ATOM 0 HA GLN A 58 3.757 0.784 -17.017 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.271 1.064 -15.090 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.027 0.146 -16.377 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.478 3.110 -16.318 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.285 2.132 -15.108 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.552 3.664 -17.193 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.420 2.524 -18.227 1.00 0.00 H new ATOM 941 N PHE A 59 2.879 2.810 -15.825 1.00 0.00 N ATOM 942 CA PHE A 59 2.213 4.013 -15.338 1.00 0.00 C ATOM 943 C PHE A 59 1.140 3.663 -14.312 1.00 0.00 C ATOM 944 O PHE A 59 0.717 2.512 -14.210 1.00 0.00 O ATOM 945 CB PHE A 59 1.589 4.782 -16.504 1.00 0.00 C ATOM 946 CG PHE A 59 1.198 6.189 -16.152 1.00 0.00 C ATOM 947 CD1 PHE A 59 2.166 7.150 -15.907 1.00 0.00 C ATOM 948 CD2 PHE A 59 -0.137 6.551 -16.068 1.00 0.00 C ATOM 949 CE1 PHE A 59 1.808 8.445 -15.582 1.00 0.00 C ATOM 950 CE2 PHE A 59 -0.500 7.845 -15.744 1.00 0.00 C ATOM 951 CZ PHE A 59 0.474 8.793 -15.502 1.00 0.00 C ATOM 0 H PHE A 59 2.458 1.937 -15.507 1.00 0.00 H new ATOM 0 HA PHE A 59 2.960 4.642 -14.855 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.296 4.806 -17.333 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.707 4.245 -16.853 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.211 6.884 -15.971 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.903 5.814 -16.258 1.00 0.00 H new ATOM 0 HE1 PHE A 59 2.571 9.185 -15.391 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -1.544 8.114 -15.680 1.00 0.00 H new ATOM 0 HZ PHE A 59 0.193 9.805 -15.251 1.00 0.00 H new ATOM 961 N GLN A 60 0.705 4.665 -13.555 1.00 0.00 N ATOM 962 CA GLN A 60 -0.318 4.463 -12.535 1.00 0.00 C ATOM 963 C GLN A 60 -1.363 5.573 -12.586 1.00 0.00 C ATOM 964 O GLN A 60 -1.026 6.751 -12.699 1.00 0.00 O ATOM 965 CB GLN A 60 0.320 4.409 -11.146 1.00 0.00 C ATOM 966 CG GLN A 60 1.340 5.510 -10.902 1.00 0.00 C ATOM 967 CD GLN A 60 1.408 5.930 -9.447 1.00 0.00 C ATOM 968 OE1 GLN A 60 1.437 7.121 -9.134 1.00 0.00 O ATOM 969 NE2 GLN A 60 1.433 4.953 -8.549 1.00 0.00 N ATOM 0 H GLN A 60 1.044 5.624 -13.628 1.00 0.00 H new ATOM 0 HA GLN A 60 -0.813 3.513 -12.736 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -0.464 4.478 -10.392 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.804 3.441 -11.015 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.323 5.167 -11.224 1.00 0.00 H new ATOM 0 HG3 GLN A 60 1.088 6.376 -11.515 1.00 0.00 H new ATOM 0 HE21 GLN A 60 1.407 3.980 -8.853 1.00 0.00 H new ATOM 0 HE22 GLN A 60 1.478 5.175 -7.555 1.00 0.00 H new ATOM 978 N ILE A 61 -2.632 5.188 -12.501 1.00 0.00 N ATOM 979 CA ILE A 61 -3.726 6.151 -12.536 1.00 0.00 C ATOM 980 C ILE A 61 -4.022 6.697 -11.144 1.00 0.00 C ATOM 981 O ILE A 61 -4.453 7.840 -10.993 1.00 0.00 O ATOM 982 CB ILE A 61 -5.009 5.524 -13.113 1.00 0.00 C ATOM 983 CG1 ILE A 61 -5.484 4.373 -12.224 1.00 0.00 C ATOM 984 CG2 ILE A 61 -4.769 5.039 -14.535 1.00 0.00 C ATOM 985 CD1 ILE A 61 -6.759 3.720 -12.712 1.00 0.00 C ATOM 0 H ILE A 61 -2.928 4.216 -12.407 1.00 0.00 H new ATOM 0 HA ILE A 61 -3.407 6.968 -13.184 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.789 6.285 -13.137 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.698 3.620 -12.167 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.641 4.747 -11.212 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.685 4.599 -14.929 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.473 5.880 -15.161 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.977 4.290 -14.535 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.037 2.913 -12.034 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.559 4.460 -12.742 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.601 3.316 -13.712 1.00 0.00 H new ATOM 997 N ASN A 62 -3.785 5.874 -10.128 1.00 0.00 N ATOM 998 CA ASN A 62 -4.025 6.275 -8.746 1.00 0.00 C ATOM 999 C ASN A 62 -3.512 5.216 -7.775 1.00 0.00 C ATOM 1000 O ASN A 62 -3.271 4.072 -8.159 1.00 0.00 O ATOM 1001 CB ASN A 62 -5.518 6.515 -8.515 1.00 0.00 C ATOM 1002 CG ASN A 62 -6.358 5.298 -8.852 1.00 0.00 C ATOM 1003 OD1 ASN A 62 -6.024 4.175 -8.473 1.00 0.00 O ATOM 1004 ND2 ASN A 62 -7.455 5.516 -9.569 1.00 0.00 N ATOM 0 H ASN A 62 -3.427 4.925 -10.235 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.482 7.202 -8.563 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.682 6.789 -7.473 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.846 7.359 -9.122 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -8.059 4.736 -9.827 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -7.693 6.464 -9.862 1.00 0.00 H new ATOM 1011 N ALA A 63 -3.348 5.606 -6.515 1.00 0.00 N ATOM 1012 CA ALA A 63 -2.867 4.690 -5.488 1.00 0.00 C ATOM 1013 C ALA A 63 -4.017 4.174 -4.630 1.00 0.00 C ATOM 1014 O ALA A 63 -3.844 3.903 -3.442 1.00 0.00 O ATOM 1015 CB ALA A 63 -1.823 5.374 -4.619 1.00 0.00 C ATOM 0 H ALA A 63 -3.541 6.550 -6.181 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.407 3.835 -5.984 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.472 4.679 -3.856 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.983 5.687 -5.238 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.265 6.247 -4.139 1.00 0.00 H new ATOM 1021 N SER A 64 -5.191 4.042 -5.239 1.00 0.00 N ATOM 1022 CA SER A 64 -6.371 3.563 -4.529 1.00 0.00 C ATOM 1023 C SER A 64 -6.825 2.214 -5.079 1.00 0.00 C ATOM 1024 O SER A 64 -8.018 1.912 -5.104 1.00 0.00 O ATOM 1025 CB SER A 64 -7.508 4.581 -4.640 1.00 0.00 C ATOM 1026 OG SER A 64 -7.058 5.885 -4.317 1.00 0.00 O ATOM 0 H SER A 64 -5.350 4.260 -6.223 1.00 0.00 H new ATOM 0 HA SER A 64 -6.107 3.438 -3.479 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.911 4.572 -5.653 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.321 4.297 -3.971 1.00 0.00 H new ATOM 0 HG SER A 64 -7.803 6.517 -4.397 1.00 0.00 H new ATOM 1032 N ALA A 65 -5.865 1.408 -5.520 1.00 0.00 N ATOM 1033 CA ALA A 65 -6.165 0.091 -6.067 1.00 0.00 C ATOM 1034 C ALA A 65 -4.886 -0.664 -6.413 1.00 0.00 C ATOM 1035 O ALA A 65 -3.787 -0.118 -6.321 1.00 0.00 O ATOM 1036 CB ALA A 65 -7.052 0.220 -7.297 1.00 0.00 C ATOM 0 H ALA A 65 -4.873 1.644 -5.509 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.698 -0.478 -5.306 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -7.268 -0.771 -7.695 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -7.985 0.712 -7.023 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -6.539 0.812 -8.055 1.00 0.00 H new ATOM 1042 N ALA A 66 -5.037 -1.923 -6.810 1.00 0.00 N ATOM 1043 CA ALA A 66 -3.893 -2.753 -7.171 1.00 0.00 C ATOM 1044 C ALA A 66 -3.005 -2.050 -8.191 1.00 0.00 C ATOM 1045 O ALA A 66 -3.469 -1.647 -9.258 1.00 0.00 O ATOM 1046 CB ALA A 66 -4.365 -4.094 -7.713 1.00 0.00 C ATOM 0 H ALA A 66 -5.940 -2.391 -6.890 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.301 -2.925 -6.272 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.501 -4.704 -7.979 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.952 -4.608 -6.952 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.981 -3.932 -8.598 1.00 0.00 H new ATOM 1052 N GLN A 67 -1.727 -1.905 -7.857 1.00 0.00 N ATOM 1053 CA GLN A 67 -0.775 -1.249 -8.745 1.00 0.00 C ATOM 1054 C GLN A 67 -0.012 -2.273 -9.577 1.00 0.00 C ATOM 1055 O GLN A 67 0.270 -3.379 -9.114 1.00 0.00 O ATOM 1056 CB GLN A 67 0.206 -0.398 -7.936 1.00 0.00 C ATOM 1057 CG GLN A 67 -0.472 0.593 -7.004 1.00 0.00 C ATOM 1058 CD GLN A 67 -1.283 1.634 -7.751 1.00 0.00 C ATOM 1059 OE1 GLN A 67 -2.308 1.322 -8.357 1.00 0.00 O ATOM 1060 NE2 GLN A 67 -0.826 2.881 -7.711 1.00 0.00 N ATOM 0 H GLN A 67 -1.327 -2.233 -6.978 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.334 -0.602 -9.422 1.00 0.00 H new ATOM 0 HB2 GLN A 67 0.846 -1.056 -7.349 1.00 0.00 H new ATOM 0 HB3 GLN A 67 0.853 0.147 -8.623 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.124 0.053 -6.318 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.284 1.093 -6.398 1.00 0.00 H new ATOM 0 HE21 GLN A 67 0.028 3.095 -7.196 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.329 3.624 -8.195 1.00 0.00 H new ATOM 1069 N ILE A 68 0.320 -1.899 -10.808 1.00 0.00 N ATOM 1070 CA ILE A 68 1.052 -2.785 -11.705 1.00 0.00 C ATOM 1071 C ILE A 68 2.087 -2.014 -12.516 1.00 0.00 C ATOM 1072 O ILE A 68 1.750 -1.079 -13.243 1.00 0.00 O ATOM 1073 CB ILE A 68 0.102 -3.519 -12.670 1.00 0.00 C ATOM 1074 CG1 ILE A 68 -1.044 -4.171 -11.894 1.00 0.00 C ATOM 1075 CG2 ILE A 68 0.864 -4.560 -13.475 1.00 0.00 C ATOM 1076 CD1 ILE A 68 -2.247 -3.271 -11.721 1.00 0.00 C ATOM 0 H ILE A 68 0.094 -0.988 -11.207 1.00 0.00 H new ATOM 0 HA ILE A 68 1.559 -3.519 -11.079 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.321 -2.792 -13.363 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.352 -5.079 -12.412 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.681 -4.472 -10.911 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.178 -5.070 -14.152 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.648 -4.071 -14.053 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.313 -5.287 -12.798 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.019 -3.799 -11.162 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.955 -2.373 -11.176 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.635 -2.991 -12.700 1.00 0.00 H new ATOM 1088 N ILE A 69 3.348 -2.414 -12.389 1.00 0.00 N ATOM 1089 CA ILE A 69 4.432 -1.762 -13.113 1.00 0.00 C ATOM 1090 C ILE A 69 5.058 -2.708 -14.132 1.00 0.00 C ATOM 1091 O ILE A 69 5.334 -3.869 -13.831 1.00 0.00 O ATOM 1092 CB ILE A 69 5.528 -1.261 -12.154 1.00 0.00 C ATOM 1093 CG1 ILE A 69 4.938 -0.279 -11.140 1.00 0.00 C ATOM 1094 CG2 ILE A 69 6.658 -0.609 -12.936 1.00 0.00 C ATOM 1095 CD1 ILE A 69 4.361 -0.950 -9.913 1.00 0.00 C ATOM 0 H ILE A 69 3.644 -3.186 -11.792 1.00 0.00 H new ATOM 0 HA ILE A 69 3.997 -0.908 -13.632 1.00 0.00 H new ATOM 0 HB ILE A 69 5.934 -2.115 -11.611 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.714 0.421 -10.830 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.157 0.306 -11.625 1.00 0.00 H new ATOM 0 HG21 ILE A 69 7.425 -0.260 -12.245 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.092 -1.336 -13.623 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.268 0.237 -13.502 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.961 -0.193 -9.239 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.562 -1.629 -10.211 1.00 0.00 H new ATOM 0 HD13 ILE A 69 5.144 -1.512 -9.404 1.00 0.00 H new ATOM 1107 N VAL A 70 5.282 -2.201 -15.341 1.00 0.00 N ATOM 1108 CA VAL A 70 5.879 -2.999 -16.405 1.00 0.00 C ATOM 1109 C VAL A 70 7.386 -3.129 -16.216 1.00 0.00 C ATOM 1110 O VAL A 70 8.091 -2.133 -16.049 1.00 0.00 O ATOM 1111 CB VAL A 70 5.598 -2.387 -17.791 1.00 0.00 C ATOM 1112 CG1 VAL A 70 6.224 -3.237 -18.887 1.00 0.00 C ATOM 1113 CG2 VAL A 70 4.101 -2.236 -18.012 1.00 0.00 C ATOM 0 H VAL A 70 5.059 -1.242 -15.607 1.00 0.00 H new ATOM 0 HA VAL A 70 5.423 -3.987 -16.353 1.00 0.00 H new ATOM 0 HB VAL A 70 6.050 -1.396 -17.830 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.015 -2.789 -19.859 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.302 -3.289 -18.736 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.804 -4.242 -18.853 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.920 -1.802 -18.996 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.624 -3.214 -17.954 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.684 -1.583 -17.245 1.00 0.00 H new ATOM 1123 N THR A 71 7.876 -4.365 -16.242 1.00 0.00 N ATOM 1124 CA THR A 71 9.300 -4.626 -16.073 1.00 0.00 C ATOM 1125 C THR A 71 9.919 -5.158 -17.361 1.00 0.00 C ATOM 1126 O THR A 71 10.160 -6.357 -17.496 1.00 0.00 O ATOM 1127 CB THR A 71 9.554 -5.638 -14.939 1.00 0.00 C ATOM 1128 OG1 THR A 71 8.798 -6.832 -15.169 1.00 0.00 O ATOM 1129 CG2 THR A 71 9.177 -5.045 -13.590 1.00 0.00 C ATOM 0 H THR A 71 7.307 -5.201 -16.378 1.00 0.00 H new ATOM 0 HA THR A 71 9.767 -3.676 -15.815 1.00 0.00 H new ATOM 0 HB THR A 71 10.617 -5.878 -14.928 1.00 0.00 H new ATOM 0 HG1 THR A 71 9.025 -7.198 -16.049 1.00 0.00 H new ATOM 0 HG21 THR A 71 9.365 -5.778 -12.805 1.00 0.00 H new ATOM 0 HG22 THR A 71 9.775 -4.153 -13.405 1.00 0.00 H new ATOM 0 HG23 THR A 71 8.120 -4.779 -13.592 1.00 0.00 H new ATOM 1137 N ASP A 72 10.175 -4.257 -18.303 1.00 0.00 N ATOM 1138 CA ASP A 72 10.768 -4.636 -19.581 1.00 0.00 C ATOM 1139 C ASP A 72 12.119 -5.314 -19.373 1.00 0.00 C ATOM 1140 O ASP A 72 12.794 -5.080 -18.370 1.00 0.00 O ATOM 1141 CB ASP A 72 10.933 -3.406 -20.475 1.00 0.00 C ATOM 1142 CG ASP A 72 12.155 -2.585 -20.111 1.00 0.00 C ATOM 1143 OD1 ASP A 72 12.209 -2.073 -18.973 1.00 0.00 O ATOM 1144 OD2 ASP A 72 13.057 -2.456 -20.964 1.00 0.00 O ATOM 0 H ASP A 72 9.982 -3.260 -18.206 1.00 0.00 H new ATOM 0 HA ASP A 72 10.098 -5.343 -20.069 1.00 0.00 H new ATOM 0 HB2 ASP A 72 11.009 -3.724 -21.515 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.043 -2.782 -20.397 1.00 0.00 H new