USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 573 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 17 ASN : amide:sc= 0.63 K(o=1.3,f=-5!) USER MOD Set 1.2: A 18 HIS : no HE2:sc= 0.416 K(o=1.3,f=-5.3!) USER MOD Set 1.3: A 21 GLN : amide:sc= 0.253 K(o=1.3,f=-3.6!) USER MOD Single : A 1 MET CE :methyl 159:sc= -0.173 (180deg=-0.801) USER MOD Single : A 1 MET N :NH3+ -106:sc= 0.101 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 160:sc= -0.599 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 13 GLN : amide:sc= -0.587 X(o=-0.59,f=-0.94) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 131:sc= 0.211 USER MOD Single : A 28 TYR OH : rot 30:sc= -0.32 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 40 LYS NZ :NH3+ -177:sc= 0.508 (180deg=0.484) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0644) USER MOD Single : A 45 LYS NZ :NH3+ -164:sc= -0.0394 (180deg=-0.366) USER MOD Single : A 47 CYS SG : rot 69:sc= -0.282 USER MOD Single : A 50 TYR OH : rot -11:sc= 0.0665 USER MOD Single : A 56 THR OG1 : rot -160:sc= -0.0148 USER MOD Single : A 58 MET CE :methyl 142:sc= -0.292 (180deg=-1.02) USER MOD Single : A 62 SER OG : rot -86:sc= 0.912 USER MOD Single : A 65 GLN : amide:sc= -1.01! C(o=-1!,f=-7.7!) USER MOD Single : A 66 HIS : no HD1:sc= -1.38 X(o=-1.4,f=-1.5) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -125:sc= 0.568 (180deg=-0.157) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.814 -17.044 -26.181 1.00 0.00 N ATOM 2 CA MET A 1 4.739 -16.332 -24.890 1.00 0.00 C ATOM 3 C MET A 1 3.742 -15.191 -24.991 1.00 0.00 C ATOM 4 O MET A 1 3.480 -14.672 -26.076 1.00 0.00 O ATOM 5 CB MET A 1 6.112 -15.777 -24.494 1.00 0.00 C ATOM 6 CG MET A 1 7.135 -16.823 -24.090 1.00 0.00 C ATOM 7 SD MET A 1 8.690 -16.091 -23.536 1.00 0.00 S ATOM 8 CE MET A 1 8.153 -15.168 -22.096 1.00 0.00 C ATOM 0 H1 MET A 1 4.325 -17.959 -26.102 1.00 0.00 H new ATOM 0 H2 MET A 1 4.359 -16.471 -26.920 1.00 0.00 H new ATOM 0 H3 MET A 1 5.811 -17.205 -26.431 1.00 0.00 H new ATOM 0 HA MET A 1 4.415 -17.038 -24.126 1.00 0.00 H new ATOM 0 HB2 MET A 1 6.511 -15.205 -25.332 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.980 -15.080 -23.666 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.723 -17.440 -23.292 1.00 0.00 H new ATOM 0 HG3 MET A 1 7.329 -17.483 -24.936 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.007 -14.978 -21.446 1.00 0.00 H new ATOM 0 HE2 MET A 1 7.720 -14.219 -22.413 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.405 -15.745 -21.552 1.00 0.00 H new ATOM 20 N THR A 2 3.170 -14.822 -23.855 1.00 0.00 N ATOM 21 CA THR A 2 2.240 -13.704 -23.794 1.00 0.00 C ATOM 22 C THR A 2 2.966 -12.447 -23.308 1.00 0.00 C ATOM 23 O THR A 2 3.977 -12.539 -22.600 1.00 0.00 O ATOM 24 CB THR A 2 1.032 -14.010 -22.884 1.00 0.00 C ATOM 25 OG1 THR A 2 0.171 -12.867 -22.799 1.00 0.00 O ATOM 26 CG2 THR A 2 1.488 -14.435 -21.502 1.00 0.00 C ATOM 0 H THR A 2 3.334 -15.282 -22.960 1.00 0.00 H new ATOM 0 HA THR A 2 1.856 -13.535 -24.800 1.00 0.00 H new ATOM 0 HB THR A 2 0.474 -14.836 -23.324 1.00 0.00 H new ATOM 0 HG1 THR A 2 -0.720 -13.150 -22.505 1.00 0.00 H new ATOM 0 HG21 THR A 2 0.618 -14.645 -20.880 1.00 0.00 H new ATOM 0 HG22 THR A 2 2.102 -15.332 -21.581 1.00 0.00 H new ATOM 0 HG23 THR A 2 2.073 -13.634 -21.049 1.00 0.00 H new ATOM 34 N SER A 3 2.456 -11.280 -23.692 1.00 0.00 N ATOM 35 CA SER A 3 3.089 -10.010 -23.355 1.00 0.00 C ATOM 36 C SER A 3 2.303 -9.250 -22.286 1.00 0.00 C ATOM 37 O SER A 3 2.497 -8.049 -22.099 1.00 0.00 O ATOM 38 CB SER A 3 3.224 -9.155 -24.604 1.00 0.00 C ATOM 39 OG SER A 3 4.018 -9.804 -25.582 1.00 0.00 O ATOM 0 H SER A 3 1.601 -11.189 -24.240 1.00 0.00 H new ATOM 0 HA SER A 3 4.077 -10.227 -22.948 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.236 -8.945 -25.014 1.00 0.00 H new ATOM 0 HB3 SER A 3 3.672 -8.196 -24.345 1.00 0.00 H new ATOM 0 HG SER A 3 4.088 -9.235 -26.377 1.00 0.00 H new ATOM 45 N VAL A 4 1.398 -9.952 -21.601 1.00 0.00 N ATOM 46 CA VAL A 4 0.613 -9.340 -20.531 1.00 0.00 C ATOM 47 C VAL A 4 1.529 -8.900 -19.389 1.00 0.00 C ATOM 48 O VAL A 4 1.439 -7.760 -18.917 1.00 0.00 O ATOM 49 CB VAL A 4 -0.468 -10.304 -19.992 1.00 0.00 C ATOM 50 CG1 VAL A 4 -1.143 -9.729 -18.754 1.00 0.00 C ATOM 51 CG2 VAL A 4 -1.499 -10.609 -21.072 1.00 0.00 C ATOM 0 H VAL A 4 1.193 -10.937 -21.767 1.00 0.00 H new ATOM 0 HA VAL A 4 0.109 -8.469 -20.951 1.00 0.00 H new ATOM 0 HB VAL A 4 0.021 -11.236 -19.708 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -1.899 -10.427 -18.395 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.398 -9.569 -17.975 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.616 -8.779 -19.005 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.252 -11.289 -20.674 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -1.978 -9.683 -21.390 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -1.005 -11.073 -21.926 1.00 0.00 H new ATOM 61 N PHE A 5 2.420 -9.799 -19.005 1.00 0.00 N ATOM 62 CA PHE A 5 3.341 -9.593 -17.893 1.00 0.00 C ATOM 63 C PHE A 5 2.573 -9.504 -16.567 1.00 0.00 C ATOM 64 O PHE A 5 1.785 -8.590 -16.338 1.00 0.00 O ATOM 65 CB PHE A 5 4.209 -8.348 -18.084 1.00 0.00 C ATOM 66 CG PHE A 5 5.225 -8.148 -16.999 1.00 0.00 C ATOM 67 CD1 PHE A 5 6.314 -8.992 -16.877 1.00 0.00 C ATOM 68 CD2 PHE A 5 5.085 -7.109 -16.098 1.00 0.00 C ATOM 69 CE1 PHE A 5 7.249 -8.812 -15.873 1.00 0.00 C ATOM 70 CE2 PHE A 5 6.016 -6.911 -15.093 1.00 0.00 C ATOM 71 CZ PHE A 5 7.097 -7.763 -14.980 1.00 0.00 C ATOM 0 H PHE A 5 2.528 -10.705 -19.461 1.00 0.00 H new ATOM 0 HA PHE A 5 4.007 -10.455 -17.865 1.00 0.00 H new ATOM 0 HB2 PHE A 5 4.723 -8.418 -19.042 1.00 0.00 H new ATOM 0 HB3 PHE A 5 3.564 -7.470 -18.132 1.00 0.00 H new ATOM 0 HD1 PHE A 5 6.437 -9.805 -17.577 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.238 -6.443 -16.179 1.00 0.00 H new ATOM 0 HE1 PHE A 5 8.090 -9.483 -15.786 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.897 -6.092 -14.399 1.00 0.00 H new ATOM 0 HZ PHE A 5 7.824 -7.612 -14.196 1.00 0.00 H new ATOM 81 N ASP A 6 2.803 -10.468 -15.701 1.00 0.00 N ATOM 82 CA ASP A 6 2.140 -10.498 -14.412 1.00 0.00 C ATOM 83 C ASP A 6 2.834 -9.566 -13.430 1.00 0.00 C ATOM 84 O ASP A 6 3.997 -9.782 -13.071 1.00 0.00 O ATOM 85 CB ASP A 6 2.105 -11.926 -13.869 1.00 0.00 C ATOM 86 CG ASP A 6 1.173 -12.830 -14.649 1.00 0.00 C ATOM 87 OD1 ASP A 6 1.584 -13.356 -15.695 1.00 0.00 O ATOM 88 OD2 ASP A 6 0.012 -13.018 -14.206 1.00 0.00 O ATOM 0 H ASP A 6 3.445 -11.243 -15.865 1.00 0.00 H new ATOM 0 HA ASP A 6 1.115 -10.151 -14.541 1.00 0.00 H new ATOM 0 HB2 ASP A 6 3.112 -12.343 -13.893 1.00 0.00 H new ATOM 0 HB3 ASP A 6 1.793 -11.905 -12.825 1.00 0.00 H new ATOM 93 N ARG A 7 2.136 -8.529 -13.001 1.00 0.00 N ATOM 94 CA ARG A 7 2.672 -7.595 -12.029 1.00 0.00 C ATOM 95 C ARG A 7 1.573 -7.180 -11.042 1.00 0.00 C ATOM 96 O ARG A 7 1.322 -5.996 -10.836 1.00 0.00 O ATOM 97 CB ARG A 7 3.306 -6.360 -12.705 1.00 0.00 C ATOM 98 CG ARG A 7 2.328 -5.441 -13.432 1.00 0.00 C ATOM 99 CD ARG A 7 1.839 -6.030 -14.748 1.00 0.00 C ATOM 100 NE ARG A 7 0.978 -5.090 -15.468 1.00 0.00 N ATOM 101 CZ ARG A 7 0.006 -5.454 -16.309 1.00 0.00 C ATOM 102 NH1 ARG A 7 -0.220 -6.725 -16.577 1.00 0.00 N ATOM 103 NH2 ARG A 7 -0.731 -4.508 -16.909 1.00 0.00 N ATOM 0 H ARG A 7 1.190 -8.312 -13.314 1.00 0.00 H new ATOM 0 HA ARG A 7 3.469 -8.098 -11.481 1.00 0.00 H new ATOM 0 HB2 ARG A 7 3.829 -5.779 -11.945 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.056 -6.702 -13.418 1.00 0.00 H new ATOM 0 HG2 ARG A 7 1.472 -5.244 -12.786 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.810 -4.483 -13.624 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.694 -6.292 -15.371 1.00 0.00 H new ATOM 0 HD3 ARG A 7 1.291 -6.952 -14.554 1.00 0.00 H new ATOM 0 HE ARG A 7 1.130 -4.093 -15.318 1.00 0.00 H new ATOM 0 HH11 ARG A 7 0.352 -7.448 -16.140 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -0.966 -6.985 -17.222 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.547 -3.522 -16.721 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -1.476 -4.774 -17.553 1.00 0.00 H new ATOM 117 N ASP A 8 0.936 -8.166 -10.432 1.00 0.00 N ATOM 118 CA ASP A 8 -0.206 -7.916 -9.572 1.00 0.00 C ATOM 119 C ASP A 8 0.224 -7.390 -8.217 1.00 0.00 C ATOM 120 O ASP A 8 0.051 -8.061 -7.191 1.00 0.00 O ATOM 121 CB ASP A 8 -1.038 -9.176 -9.392 1.00 0.00 C ATOM 122 CG ASP A 8 -1.823 -9.532 -10.643 1.00 0.00 C ATOM 123 OD1 ASP A 8 -1.281 -10.253 -11.507 1.00 0.00 O ATOM 124 OD2 ASP A 8 -2.975 -9.063 -10.783 1.00 0.00 O ATOM 0 H ASP A 8 1.192 -9.150 -10.518 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.815 -7.155 -10.060 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.383 -10.006 -9.128 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.728 -9.037 -8.560 1.00 0.00 H new ATOM 129 N ASP A 9 0.795 -6.203 -8.216 1.00 0.00 N ATOM 130 CA ASP A 9 1.149 -5.525 -6.984 1.00 0.00 C ATOM 131 C ASP A 9 0.167 -4.394 -6.747 1.00 0.00 C ATOM 132 O ASP A 9 0.163 -3.404 -7.479 1.00 0.00 O ATOM 133 CB ASP A 9 2.564 -4.957 -7.055 1.00 0.00 C ATOM 134 CG ASP A 9 3.640 -6.027 -7.030 1.00 0.00 C ATOM 135 OD1 ASP A 9 3.950 -6.526 -5.932 1.00 0.00 O ATOM 136 OD2 ASP A 9 4.190 -6.352 -8.110 1.00 0.00 O ATOM 0 H ASP A 9 1.026 -5.683 -9.063 1.00 0.00 H new ATOM 0 HA ASP A 9 1.110 -6.244 -6.166 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.667 -4.369 -7.967 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.718 -4.277 -6.217 1.00 0.00 H new ATOM 141 N ILE A 10 -0.682 -4.544 -5.739 1.00 0.00 N ATOM 142 CA ILE A 10 -1.628 -3.497 -5.406 1.00 0.00 C ATOM 143 C ILE A 10 -1.058 -2.664 -4.259 1.00 0.00 C ATOM 144 O ILE A 10 -0.848 -3.152 -3.141 1.00 0.00 O ATOM 145 CB ILE A 10 -3.040 -4.038 -5.058 1.00 0.00 C ATOM 146 CG1 ILE A 10 -4.000 -2.896 -4.729 1.00 0.00 C ATOM 147 CG2 ILE A 10 -2.996 -5.047 -3.903 1.00 0.00 C ATOM 148 CD1 ILE A 10 -5.421 -3.357 -4.515 1.00 0.00 C ATOM 0 H ILE A 10 -0.733 -5.372 -5.146 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.765 -2.874 -6.290 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.409 -4.559 -5.942 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.652 -2.384 -3.832 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.979 -2.168 -5.540 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.005 -5.401 -3.691 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.366 -5.892 -4.181 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.586 -4.566 -3.015 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.051 -2.498 -4.285 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.786 -3.843 -5.420 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.453 -4.063 -3.685 1.00 0.00 H new ATOM 160 N GLN A 11 -0.765 -1.412 -4.559 1.00 0.00 N ATOM 161 CA GLN A 11 -0.085 -0.547 -3.604 1.00 0.00 C ATOM 162 C GLN A 11 -1.070 0.309 -2.830 1.00 0.00 C ATOM 163 O GLN A 11 -2.129 0.707 -3.329 1.00 0.00 O ATOM 164 CB GLN A 11 0.930 0.348 -4.315 1.00 0.00 C ATOM 165 CG GLN A 11 2.133 -0.400 -4.869 1.00 0.00 C ATOM 166 CD GLN A 11 3.140 0.543 -5.486 1.00 0.00 C ATOM 167 OE1 GLN A 11 2.778 1.614 -5.989 1.00 0.00 O ATOM 168 NE2 GLN A 11 4.418 0.165 -5.462 1.00 0.00 N ATOM 0 H GLN A 11 -0.985 -0.970 -5.452 1.00 0.00 H new ATOM 0 HA GLN A 11 0.438 -1.191 -2.897 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.431 0.868 -5.132 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.278 1.110 -3.618 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.608 -0.968 -4.069 1.00 0.00 H new ATOM 0 HG3 GLN A 11 1.801 -1.119 -5.618 1.00 0.00 H new ATOM 0 HE21 GLN A 11 4.679 -0.726 -5.038 1.00 0.00 H new ATOM 0 HE22 GLN A 11 5.135 0.766 -5.867 1.00 0.00 H new ATOM 177 N PHE A 12 -0.677 0.597 -1.605 1.00 0.00 N ATOM 178 CA PHE A 12 -1.450 1.422 -0.719 1.00 0.00 C ATOM 179 C PHE A 12 -0.537 2.495 -0.133 1.00 0.00 C ATOM 180 O PHE A 12 0.657 2.543 -0.419 1.00 0.00 O ATOM 181 CB PHE A 12 -2.044 0.579 0.418 1.00 0.00 C ATOM 182 CG PHE A 12 -2.870 -0.568 -0.060 1.00 0.00 C ATOM 183 CD1 PHE A 12 -4.229 -0.385 -0.323 1.00 0.00 C ATOM 184 CD2 PHE A 12 -2.328 -1.828 -0.248 1.00 0.00 C ATOM 185 CE1 PHE A 12 -5.013 -1.437 -0.766 1.00 0.00 C ATOM 186 CE2 PHE A 12 -3.114 -2.873 -0.688 1.00 0.00 C ATOM 187 CZ PHE A 12 -4.456 -2.677 -0.948 1.00 0.00 C ATOM 0 H PHE A 12 0.196 0.259 -1.200 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.268 1.881 -1.274 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.233 0.198 1.039 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.658 1.219 1.052 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.674 0.589 -0.179 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.280 -1.994 -0.048 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.062 -1.281 -0.968 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.677 -3.850 -0.830 1.00 0.00 H new ATOM 0 HZ PHE A 12 -5.066 -3.499 -1.294 1.00 0.00 H new ATOM 197 N GLN A 13 -1.129 3.340 0.675 1.00 0.00 N ATOM 198 CA GLN A 13 -0.408 4.417 1.316 1.00 0.00 C ATOM 199 C GLN A 13 -0.994 4.650 2.705 1.00 0.00 C ATOM 200 O GLN A 13 -2.142 4.250 2.970 1.00 0.00 O ATOM 201 CB GLN A 13 -0.527 5.710 0.484 1.00 0.00 C ATOM 202 CG GLN A 13 -1.951 6.013 0.034 1.00 0.00 C ATOM 203 CD GLN A 13 -2.029 7.227 -0.863 1.00 0.00 C ATOM 204 OE1 GLN A 13 -1.091 7.525 -1.605 1.00 0.00 O ATOM 205 NE2 GLN A 13 -3.156 7.898 -0.839 1.00 0.00 N ATOM 0 H GLN A 13 -2.121 3.303 0.908 1.00 0.00 H new ATOM 0 HA GLN A 13 0.645 4.147 1.395 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.154 6.548 1.073 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.114 5.628 -0.394 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.353 5.149 -0.494 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.579 6.172 0.910 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.905 7.614 -0.208 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.283 8.704 -1.452 1.00 0.00 H new ATOM 214 N VAL A 14 -0.237 5.272 3.581 1.00 0.00 N ATOM 215 CA VAL A 14 -0.711 5.570 4.923 1.00 0.00 C ATOM 216 C VAL A 14 -1.230 6.983 4.949 1.00 0.00 C ATOM 217 O VAL A 14 -0.561 7.897 4.480 1.00 0.00 O ATOM 218 CB VAL A 14 0.425 5.406 5.956 1.00 0.00 C ATOM 219 CG1 VAL A 14 -0.075 5.742 7.347 1.00 0.00 C ATOM 220 CG2 VAL A 14 0.992 3.995 5.912 1.00 0.00 C ATOM 0 H VAL A 14 0.715 5.585 3.391 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.507 4.873 5.186 1.00 0.00 H new ATOM 0 HB VAL A 14 1.226 6.100 5.702 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.737 5.622 8.064 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.428 6.773 7.368 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.894 5.073 7.611 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.791 3.901 6.647 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.203 3.278 6.140 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.389 3.793 4.917 1.00 0.00 H new ATOM 230 N VAL A 15 -2.448 7.162 5.427 1.00 0.00 N ATOM 231 CA VAL A 15 -3.024 8.484 5.491 1.00 0.00 C ATOM 232 C VAL A 15 -3.286 8.901 6.932 1.00 0.00 C ATOM 233 O VAL A 15 -3.617 8.080 7.781 1.00 0.00 O ATOM 234 CB VAL A 15 -4.334 8.582 4.679 1.00 0.00 C ATOM 235 CG1 VAL A 15 -4.056 8.442 3.190 1.00 0.00 C ATOM 236 CG2 VAL A 15 -5.339 7.528 5.141 1.00 0.00 C ATOM 0 H VAL A 15 -3.049 6.414 5.772 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.295 9.163 5.049 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.769 9.566 4.854 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.992 8.514 2.637 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.383 9.237 2.869 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.593 7.474 2.996 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -6.254 7.616 4.555 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.914 6.534 5.002 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.568 7.681 6.196 1.00 0.00 H new ATOM 246 N VAL A 16 -3.119 10.191 7.199 1.00 0.00 N ATOM 247 CA VAL A 16 -3.333 10.722 8.522 1.00 0.00 C ATOM 248 C VAL A 16 -4.427 11.794 8.498 1.00 0.00 C ATOM 249 O VAL A 16 -4.454 12.665 7.631 1.00 0.00 O ATOM 250 CB VAL A 16 -2.028 11.284 9.131 1.00 0.00 C ATOM 251 CG1 VAL A 16 -1.455 12.398 8.272 1.00 0.00 C ATOM 252 CG2 VAL A 16 -2.236 11.756 10.572 1.00 0.00 C ATOM 0 H VAL A 16 -2.835 10.884 6.507 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.662 9.901 9.159 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.304 10.469 9.153 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.538 12.773 8.726 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.236 12.013 7.276 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.180 13.209 8.196 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.297 12.144 10.967 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.991 12.542 10.592 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.568 10.918 11.185 1.00 0.00 H new ATOM 262 N ASN A 17 -5.336 11.696 9.452 1.00 0.00 N ATOM 263 CA ASN A 17 -6.453 12.619 9.542 1.00 0.00 C ATOM 264 C ASN A 17 -6.041 13.806 10.406 1.00 0.00 C ATOM 265 O ASN A 17 -4.995 13.793 11.046 1.00 0.00 O ATOM 266 CB ASN A 17 -7.674 11.887 10.161 1.00 0.00 C ATOM 267 CG ASN A 17 -8.907 12.739 10.297 1.00 0.00 C ATOM 268 OD1 ASN A 17 -9.131 13.664 9.525 1.00 0.00 O ATOM 269 ND2 ASN A 17 -9.720 12.444 11.301 1.00 0.00 N ATOM 0 H ASN A 17 -5.322 10.981 10.180 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.730 12.980 8.551 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.913 11.020 9.545 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.396 11.512 11.146 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.565 12.995 11.451 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.500 11.666 11.923 1.00 0.00 H new ATOM 276 N HIS A 18 -6.870 14.846 10.432 1.00 0.00 N ATOM 277 CA HIS A 18 -6.599 16.012 11.277 1.00 0.00 C ATOM 278 C HIS A 18 -6.747 15.671 12.779 1.00 0.00 C ATOM 279 O HIS A 18 -6.499 16.505 13.646 1.00 0.00 O ATOM 280 CB HIS A 18 -7.483 17.208 10.892 1.00 0.00 C ATOM 281 CG HIS A 18 -8.855 16.854 10.387 1.00 0.00 C ATOM 282 ND1 HIS A 18 -9.889 16.470 11.204 1.00 0.00 N ATOM 283 CD2 HIS A 18 -9.345 16.839 9.131 1.00 0.00 C ATOM 284 CE1 HIS A 18 -10.968 16.234 10.473 1.00 0.00 C ATOM 285 NE2 HIS A 18 -10.662 16.446 9.213 1.00 0.00 N ATOM 0 H HIS A 18 -7.728 14.908 9.884 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.562 16.300 11.103 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -7.590 17.856 11.762 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.969 17.787 10.125 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -9.835 16.380 12.219 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -8.805 17.089 8.229 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -11.932 15.922 10.848 1.00 0.00 H new ATOM 294 N GLU A 19 -7.166 14.440 13.062 1.00 0.00 N ATOM 295 CA GLU A 19 -7.187 13.913 14.432 1.00 0.00 C ATOM 296 C GLU A 19 -5.931 13.082 14.670 1.00 0.00 C ATOM 297 O GLU A 19 -5.841 12.356 15.662 1.00 0.00 O ATOM 298 CB GLU A 19 -8.430 13.056 14.699 1.00 0.00 C ATOM 299 CG GLU A 19 -9.691 13.854 14.998 1.00 0.00 C ATOM 300 CD GLU A 19 -10.152 14.699 13.836 1.00 0.00 C ATOM 301 OE1 GLU A 19 -9.712 15.855 13.722 1.00 0.00 O ATOM 302 OE2 GLU A 19 -10.968 14.215 13.029 1.00 0.00 O ATOM 0 H GLU A 19 -7.499 13.781 12.358 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.218 14.760 15.117 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.613 12.422 13.831 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.226 12.393 15.540 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.490 13.167 15.278 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.509 14.499 15.858 1.00 0.00 H new ATOM 309 N GLU A 20 -4.997 13.162 13.716 1.00 0.00 N ATOM 310 CA GLU A 20 -3.714 12.449 13.760 1.00 0.00 C ATOM 311 C GLU A 20 -3.888 10.955 13.978 1.00 0.00 C ATOM 312 O GLU A 20 -3.117 10.315 14.667 1.00 0.00 O ATOM 313 CB GLU A 20 -2.713 13.066 14.759 1.00 0.00 C ATOM 314 CG GLU A 20 -3.088 12.961 16.219 1.00 0.00 C ATOM 315 CD GLU A 20 -2.007 13.490 17.146 1.00 0.00 C ATOM 316 OE1 GLU A 20 -1.888 14.730 17.267 1.00 0.00 O ATOM 317 OE2 GLU A 20 -1.267 12.666 17.735 1.00 0.00 O ATOM 0 H GLU A 20 -5.112 13.733 12.878 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.273 12.576 12.771 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.745 12.586 14.617 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.585 14.120 14.512 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.011 13.514 16.393 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.291 11.918 16.463 1.00 0.00 H new ATOM 324 N GLN A 21 -4.907 10.400 13.338 1.00 0.00 N ATOM 325 CA GLN A 21 -5.120 8.960 13.349 1.00 0.00 C ATOM 326 C GLN A 21 -4.530 8.363 12.083 1.00 0.00 C ATOM 327 O GLN A 21 -4.504 9.033 11.045 1.00 0.00 O ATOM 328 CB GLN A 21 -6.613 8.628 13.442 1.00 0.00 C ATOM 329 CG GLN A 21 -7.394 9.024 12.205 1.00 0.00 C ATOM 330 CD GLN A 21 -8.873 8.807 12.346 1.00 0.00 C ATOM 331 OE1 GLN A 21 -9.594 9.722 12.753 1.00 0.00 O ATOM 332 NE2 GLN A 21 -9.338 7.604 12.031 1.00 0.00 N ATOM 0 H GLN A 21 -5.600 10.925 12.804 1.00 0.00 H new ATOM 0 HA GLN A 21 -4.627 8.535 14.223 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.730 7.557 13.610 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -7.037 9.135 14.309 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.207 10.075 11.986 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -7.029 8.451 11.353 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -8.699 6.881 11.699 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -10.334 7.402 12.121 1.00 0.00 H new ATOM 341 N TYR A 22 -4.038 7.146 12.151 1.00 0.00 N ATOM 342 CA TYR A 22 -3.335 6.573 11.020 1.00 0.00 C ATOM 343 C TYR A 22 -4.169 5.482 10.371 1.00 0.00 C ATOM 344 O TYR A 22 -4.575 4.511 11.016 1.00 0.00 O ATOM 345 CB TYR A 22 -1.976 6.030 11.465 1.00 0.00 C ATOM 346 CG TYR A 22 -1.169 7.045 12.248 1.00 0.00 C ATOM 347 CD1 TYR A 22 -0.546 8.106 11.597 1.00 0.00 C ATOM 348 CD2 TYR A 22 -1.045 6.957 13.630 1.00 0.00 C ATOM 349 CE1 TYR A 22 0.170 9.040 12.298 1.00 0.00 C ATOM 350 CE2 TYR A 22 -0.321 7.898 14.334 1.00 0.00 C ATOM 351 CZ TYR A 22 0.282 8.935 13.671 1.00 0.00 C ATOM 352 OH TYR A 22 1.005 9.877 14.374 1.00 0.00 O ATOM 0 H TYR A 22 -4.109 6.538 12.967 1.00 0.00 H new ATOM 0 HA TYR A 22 -3.167 7.354 10.278 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.127 5.141 12.078 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.408 5.719 10.588 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.628 8.194 10.524 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -1.520 6.144 14.158 1.00 0.00 H new ATOM 0 HE1 TYR A 22 0.647 9.858 11.778 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -0.230 7.817 15.407 1.00 0.00 H new ATOM 0 HH TYR A 22 0.985 9.659 15.329 1.00 0.00 H new ATOM 362 N SER A 23 -4.441 5.648 9.075 1.00 0.00 N ATOM 363 CA SER A 23 -5.271 4.716 8.331 1.00 0.00 C ATOM 364 C SER A 23 -4.575 4.353 7.029 1.00 0.00 C ATOM 365 O SER A 23 -3.536 4.924 6.697 1.00 0.00 O ATOM 366 CB SER A 23 -6.650 5.320 8.061 1.00 0.00 C ATOM 367 OG SER A 23 -7.306 5.667 9.285 1.00 0.00 O ATOM 0 H SER A 23 -4.092 6.429 8.520 1.00 0.00 H new ATOM 0 HA SER A 23 -5.416 3.811 8.922 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.547 6.207 7.436 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.261 4.608 7.506 1.00 0.00 H new ATOM 0 HG SER A 23 -7.651 6.582 9.223 1.00 0.00 H new ATOM 373 N ILE A 24 -5.141 3.411 6.288 1.00 0.00 N ATOM 374 CA ILE A 24 -4.558 3.019 5.003 1.00 0.00 C ATOM 375 C ILE A 24 -5.487 3.415 3.859 1.00 0.00 C ATOM 376 O ILE A 24 -6.692 3.482 4.023 1.00 0.00 O ATOM 377 CB ILE A 24 -4.272 1.497 4.941 1.00 0.00 C ATOM 378 CG1 ILE A 24 -5.575 0.693 5.075 1.00 0.00 C ATOM 379 CG2 ILE A 24 -3.298 1.117 6.038 1.00 0.00 C ATOM 380 CD1 ILE A 24 -5.385 -0.807 4.985 1.00 0.00 C ATOM 0 H ILE A 24 -5.990 2.908 6.545 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.608 3.544 4.902 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.829 1.260 3.974 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.042 0.933 6.030 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -6.267 1.009 4.294 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.098 0.046 5.993 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.366 1.666 5.903 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.728 1.365 7.008 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -6.350 -1.303 5.089 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.948 -1.061 4.019 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.720 -1.138 5.782 1.00 0.00 H new ATOM 392 N TRP A 25 -4.895 3.673 2.701 1.00 0.00 N ATOM 393 CA TRP A 25 -5.657 4.068 1.537 1.00 0.00 C ATOM 394 C TRP A 25 -4.958 3.539 0.287 1.00 0.00 C ATOM 395 O TRP A 25 -3.730 3.574 0.215 1.00 0.00 O ATOM 396 CB TRP A 25 -5.782 5.590 1.511 1.00 0.00 C ATOM 397 CG TRP A 25 -6.761 6.114 0.518 1.00 0.00 C ATOM 398 CD1 TRP A 25 -6.475 6.703 -0.679 1.00 0.00 C ATOM 399 CD2 TRP A 25 -8.200 6.105 0.622 1.00 0.00 C ATOM 400 NE1 TRP A 25 -7.631 7.057 -1.319 1.00 0.00 N ATOM 401 CE2 TRP A 25 -8.697 6.708 -0.538 1.00 0.00 C ATOM 402 CE3 TRP A 25 -9.092 5.642 1.590 1.00 0.00 C ATOM 403 CZ2 TRP A 25 -10.090 6.856 -0.752 1.00 0.00 C ATOM 404 CZ3 TRP A 25 -10.460 5.796 1.381 1.00 0.00 C ATOM 405 CH2 TRP A 25 -10.941 6.398 0.206 1.00 0.00 C ATOM 0 H TRP A 25 -3.888 3.614 2.548 1.00 0.00 H new ATOM 0 HA TRP A 25 -6.662 3.648 1.571 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -6.071 5.935 2.504 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -4.803 6.018 1.297 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -5.480 6.866 -1.065 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -7.688 7.509 -2.232 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -8.726 5.170 2.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -10.466 7.320 -1.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -11.158 5.450 2.129 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -12.006 6.499 0.060 1.00 0.00 H new ATOM 416 N PRO A 26 -5.707 2.978 -0.677 1.00 0.00 N ATOM 417 CA PRO A 26 -5.120 2.477 -1.939 1.00 0.00 C ATOM 418 C PRO A 26 -4.488 3.588 -2.770 1.00 0.00 C ATOM 419 O PRO A 26 -5.013 4.699 -2.868 1.00 0.00 O ATOM 420 CB PRO A 26 -6.310 1.867 -2.667 1.00 0.00 C ATOM 421 CG PRO A 26 -7.350 1.641 -1.599 1.00 0.00 C ATOM 422 CD PRO A 26 -7.159 2.772 -0.627 1.00 0.00 C ATOM 0 HA PRO A 26 -4.310 1.770 -1.759 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -6.682 2.535 -3.444 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -6.036 0.932 -3.155 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -8.356 1.647 -2.019 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -7.214 0.675 -1.113 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.708 3.665 -0.927 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.499 2.510 0.375 1.00 0.00 H new ATOM 430 N GLU A 27 -3.337 3.283 -3.376 1.00 0.00 N ATOM 431 CA GLU A 27 -2.557 4.244 -4.162 1.00 0.00 C ATOM 432 C GLU A 27 -3.343 4.764 -5.369 1.00 0.00 C ATOM 433 O GLU A 27 -3.103 5.852 -5.872 1.00 0.00 O ATOM 434 CB GLU A 27 -1.271 3.552 -4.636 1.00 0.00 C ATOM 435 CG GLU A 27 -0.407 4.383 -5.559 1.00 0.00 C ATOM 436 CD GLU A 27 0.243 5.576 -4.874 1.00 0.00 C ATOM 437 OE1 GLU A 27 1.082 5.366 -3.977 1.00 0.00 O ATOM 438 OE2 GLU A 27 -0.073 6.721 -5.240 1.00 0.00 O ATOM 0 H GLU A 27 -2.917 2.355 -3.335 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.324 5.103 -3.533 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.682 3.274 -3.762 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.540 2.628 -5.147 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.372 3.749 -5.983 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.016 4.739 -6.390 1.00 0.00 H new ATOM 445 N TYR A 28 -4.292 3.965 -5.836 1.00 0.00 N ATOM 446 CA TYR A 28 -5.009 4.245 -7.061 1.00 0.00 C ATOM 447 C TYR A 28 -6.234 5.124 -6.800 1.00 0.00 C ATOM 448 O TYR A 28 -6.917 5.540 -7.736 1.00 0.00 O ATOM 449 CB TYR A 28 -5.446 2.940 -7.708 1.00 0.00 C ATOM 450 CG TYR A 28 -4.356 1.886 -7.638 1.00 0.00 C ATOM 451 CD1 TYR A 28 -3.392 1.778 -8.640 1.00 0.00 C ATOM 452 CD2 TYR A 28 -4.291 1.004 -6.563 1.00 0.00 C ATOM 453 CE1 TYR A 28 -2.401 0.841 -8.564 1.00 0.00 C ATOM 454 CE2 TYR A 28 -3.294 0.079 -6.475 1.00 0.00 C ATOM 455 CZ TYR A 28 -2.336 -0.015 -7.470 1.00 0.00 C ATOM 456 OH TYR A 28 -1.346 -0.950 -7.390 1.00 0.00 O ATOM 0 H TYR A 28 -4.583 3.105 -5.372 1.00 0.00 H new ATOM 0 HA TYR A 28 -4.339 4.785 -7.730 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -6.343 2.570 -7.211 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -5.711 3.121 -8.750 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -3.430 2.445 -9.489 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -5.041 1.053 -5.788 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.668 0.765 -9.354 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -3.251 -0.585 -5.624 1.00 0.00 H new ATOM 0 HH TYR A 28 -0.546 -0.620 -7.851 1.00 0.00 H new ATOM 466 N LYS A 29 -6.500 5.415 -5.532 1.00 0.00 N ATOM 467 CA LYS A 29 -7.685 6.195 -5.193 1.00 0.00 C ATOM 468 C LYS A 29 -7.283 7.568 -4.675 1.00 0.00 C ATOM 469 O LYS A 29 -6.255 7.730 -4.013 1.00 0.00 O ATOM 470 CB LYS A 29 -8.513 5.476 -4.123 1.00 0.00 C ATOM 471 CG LYS A 29 -8.989 4.099 -4.568 1.00 0.00 C ATOM 472 CD LYS A 29 -9.811 3.410 -3.492 1.00 0.00 C ATOM 473 CE LYS A 29 -10.100 1.960 -3.854 1.00 0.00 C ATOM 474 NZ LYS A 29 -11.002 1.828 -5.030 1.00 0.00 N ATOM 0 H LYS A 29 -5.927 5.131 -4.738 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.285 6.309 -6.096 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.916 5.373 -3.217 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.378 6.089 -3.867 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.586 4.197 -5.475 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.127 3.480 -4.819 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.276 3.450 -2.543 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.750 3.945 -3.351 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.161 1.448 -4.063 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.552 1.460 -2.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.165 0.821 -5.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.910 2.291 -4.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.562 2.280 -5.857 1.00 0.00 H new ATOM 488 N GLU A 30 -8.102 8.564 -4.976 1.00 0.00 N ATOM 489 CA GLU A 30 -7.905 9.916 -4.468 1.00 0.00 C ATOM 490 C GLU A 30 -8.262 9.973 -2.994 1.00 0.00 C ATOM 491 O GLU A 30 -9.270 9.383 -2.570 1.00 0.00 O ATOM 492 CB GLU A 30 -8.797 10.888 -5.252 1.00 0.00 C ATOM 493 CG GLU A 30 -8.713 12.321 -4.761 1.00 0.00 C ATOM 494 CD GLU A 30 -9.731 13.216 -5.446 1.00 0.00 C ATOM 495 OE1 GLU A 30 -10.928 13.134 -5.092 1.00 0.00 O ATOM 496 OE2 GLU A 30 -9.339 13.998 -6.333 1.00 0.00 O ATOM 0 H GLU A 30 -8.920 8.460 -5.577 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.859 10.198 -4.591 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.516 10.857 -6.305 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.832 10.551 -5.188 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.875 12.345 -3.683 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.710 12.708 -4.941 1.00 0.00 H new ATOM 503 N ILE A 31 -7.458 10.673 -2.208 1.00 0.00 N ATOM 504 CA ILE A 31 -7.679 10.785 -0.776 1.00 0.00 C ATOM 505 C ILE A 31 -8.815 11.762 -0.491 1.00 0.00 C ATOM 506 O ILE A 31 -8.918 12.800 -1.144 1.00 0.00 O ATOM 507 CB ILE A 31 -6.411 11.279 -0.044 1.00 0.00 C ATOM 508 CG1 ILE A 31 -5.203 10.439 -0.432 1.00 0.00 C ATOM 509 CG2 ILE A 31 -6.604 11.255 1.457 1.00 0.00 C ATOM 510 CD1 ILE A 31 -3.899 10.925 0.175 1.00 0.00 C ATOM 0 H ILE A 31 -6.637 11.177 -2.544 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.936 9.791 -0.410 1.00 0.00 H new ATOM 0 HB ILE A 31 -6.232 12.310 -0.349 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.375 9.408 -0.123 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.108 10.435 -1.518 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.696 11.608 1.946 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.437 11.904 1.727 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.818 10.236 1.780 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.084 10.277 -0.147 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.703 11.945 -0.154 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.973 10.902 1.262 1.00 0.00 H new ATOM 522 N PRO A 32 -9.712 11.403 0.429 1.00 0.00 N ATOM 523 CA PRO A 32 -10.775 12.308 0.869 1.00 0.00 C ATOM 524 C PRO A 32 -10.189 13.589 1.452 1.00 0.00 C ATOM 525 O PRO A 32 -9.176 13.546 2.147 1.00 0.00 O ATOM 526 CB PRO A 32 -11.496 11.508 1.975 1.00 0.00 C ATOM 527 CG PRO A 32 -11.152 10.090 1.697 1.00 0.00 C ATOM 528 CD PRO A 32 -9.783 10.095 1.112 1.00 0.00 C ATOM 0 HA PRO A 32 -11.432 12.611 0.054 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.159 11.810 2.967 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -12.574 11.668 1.942 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -11.181 9.497 2.611 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -11.868 9.645 1.006 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -9.016 10.000 1.881 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -9.640 9.269 0.416 1.00 0.00 H new ATOM 536 N GLN A 33 -10.839 14.717 1.148 1.00 0.00 N ATOM 537 CA GLN A 33 -10.360 16.000 1.635 1.00 0.00 C ATOM 538 C GLN A 33 -10.418 16.057 3.158 1.00 0.00 C ATOM 539 O GLN A 33 -11.474 15.849 3.767 1.00 0.00 O ATOM 540 CB GLN A 33 -11.174 17.141 1.006 1.00 0.00 C ATOM 541 CG GLN A 33 -12.683 16.996 1.155 1.00 0.00 C ATOM 542 CD GLN A 33 -13.450 18.125 0.490 1.00 0.00 C ATOM 543 OE1 GLN A 33 -12.985 19.267 0.427 1.00 0.00 O ATOM 544 NE2 GLN A 33 -14.630 17.817 -0.018 1.00 0.00 N ATOM 0 H GLN A 33 -11.683 14.762 0.577 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.318 16.119 1.340 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.866 18.083 1.459 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.930 17.203 -0.055 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -12.997 16.046 0.723 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -12.938 16.964 2.214 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -14.982 16.862 0.053 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -15.189 18.534 -0.481 1.00 0.00 H new ATOM 553 N GLY A 34 -9.272 16.301 3.763 1.00 0.00 N ATOM 554 CA GLY A 34 -9.170 16.300 5.208 1.00 0.00 C ATOM 555 C GLY A 34 -8.089 15.359 5.687 1.00 0.00 C ATOM 556 O GLY A 34 -7.684 15.412 6.853 1.00 0.00 O ATOM 0 H GLY A 34 -8.399 16.502 3.276 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.957 17.310 5.559 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.127 16.007 5.641 1.00 0.00 H new ATOM 560 N TRP A 35 -7.609 14.506 4.799 1.00 0.00 N ATOM 561 CA TRP A 35 -6.554 13.578 5.112 1.00 0.00 C ATOM 562 C TRP A 35 -5.351 13.890 4.237 1.00 0.00 C ATOM 563 O TRP A 35 -5.483 14.586 3.226 1.00 0.00 O ATOM 564 CB TRP A 35 -6.991 12.136 4.849 1.00 0.00 C ATOM 565 CG TRP A 35 -8.158 11.679 5.631 1.00 0.00 C ATOM 566 CD1 TRP A 35 -9.443 12.118 5.559 1.00 0.00 C ATOM 567 CD2 TRP A 35 -8.162 10.645 6.635 1.00 0.00 C ATOM 568 NE1 TRP A 35 -10.245 11.446 6.431 1.00 0.00 N ATOM 569 CE2 TRP A 35 -9.479 10.530 7.107 1.00 0.00 C ATOM 570 CE3 TRP A 35 -7.173 9.805 7.145 1.00 0.00 C ATOM 571 CZ2 TRP A 35 -9.817 9.605 8.086 1.00 0.00 C ATOM 572 CZ3 TRP A 35 -7.524 8.882 8.116 1.00 0.00 C ATOM 573 CH2 TRP A 35 -8.842 8.798 8.585 1.00 0.00 C ATOM 0 H TRP A 35 -7.946 14.443 3.838 1.00 0.00 H new ATOM 0 HA TRP A 35 -6.305 13.680 6.168 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -7.221 12.031 3.789 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.151 11.475 5.060 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -9.784 12.899 4.896 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -11.245 11.598 6.560 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -6.155 9.873 6.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -10.833 9.528 8.444 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -6.772 8.218 8.517 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -9.088 8.081 9.355 1.00 0.00 H new ATOM 584 N ARG A 36 -4.176 13.390 4.611 1.00 0.00 N ATOM 585 CA ARG A 36 -3.008 13.507 3.756 1.00 0.00 C ATOM 586 C ARG A 36 -2.191 12.224 3.853 1.00 0.00 C ATOM 587 O ARG A 36 -2.361 11.435 4.781 1.00 0.00 O ATOM 588 CB ARG A 36 -2.146 14.697 4.174 1.00 0.00 C ATOM 589 CG ARG A 36 -1.459 14.529 5.512 1.00 0.00 C ATOM 590 CD ARG A 36 -0.337 15.539 5.704 1.00 0.00 C ATOM 591 NE ARG A 36 0.492 15.206 6.851 1.00 0.00 N ATOM 592 CZ ARG A 36 1.760 14.797 6.766 1.00 0.00 C ATOM 593 NH1 ARG A 36 2.354 14.695 5.588 1.00 0.00 N ATOM 594 NH2 ARG A 36 2.442 14.483 7.868 1.00 0.00 N ATOM 0 H ARG A 36 -4.012 12.905 5.493 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.336 13.666 2.729 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.389 14.869 3.409 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.771 15.589 4.209 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.190 14.642 6.312 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.056 13.519 5.589 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.280 15.573 4.806 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -0.761 16.534 5.838 1.00 0.00 H new ATOM 0 HE ARG A 36 0.079 15.290 7.780 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.843 14.930 4.737 1.00 0.00 H new ATOM 0 HH12 ARG A 36 3.323 14.382 5.531 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.995 14.555 8.782 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.411 14.171 7.797 1.00 0.00 H new ATOM 608 N ALA A 37 -1.331 12.024 2.885 1.00 0.00 N ATOM 609 CA ALA A 37 -0.468 10.846 2.862 1.00 0.00 C ATOM 610 C ALA A 37 0.732 11.056 3.773 1.00 0.00 C ATOM 611 O ALA A 37 1.284 12.154 3.858 1.00 0.00 O ATOM 612 CB ALA A 37 -0.008 10.529 1.438 1.00 0.00 C ATOM 0 H ALA A 37 -1.202 12.658 2.096 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.043 9.995 3.227 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.633 9.648 1.450 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.877 10.337 0.809 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.549 11.377 1.038 1.00 0.00 H new ATOM 618 N ALA A 38 1.114 9.990 4.459 1.00 0.00 N ATOM 619 CA ALA A 38 2.221 10.046 5.392 1.00 0.00 C ATOM 620 C ALA A 38 2.921 8.692 5.473 1.00 0.00 C ATOM 621 O ALA A 38 2.392 7.679 5.023 1.00 0.00 O ATOM 622 CB ALA A 38 1.715 10.454 6.776 1.00 0.00 C ATOM 0 H ALA A 38 0.670 9.075 4.385 1.00 0.00 H new ATOM 0 HA ALA A 38 2.937 10.788 5.038 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.553 10.494 7.472 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.245 11.436 6.717 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.986 9.723 7.127 1.00 0.00 H new ATOM 628 N GLY A 39 4.132 8.692 6.036 1.00 0.00 N ATOM 629 CA GLY A 39 4.854 7.451 6.208 1.00 0.00 C ATOM 630 C GLY A 39 5.396 6.909 4.898 1.00 0.00 C ATOM 631 O GLY A 39 6.087 7.610 4.160 1.00 0.00 O ATOM 0 H GLY A 39 4.617 9.525 6.371 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.680 7.608 6.902 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.194 6.710 6.659 1.00 0.00 H new ATOM 635 N LYS A 40 5.043 5.671 4.605 1.00 0.00 N ATOM 636 CA LYS A 40 5.527 5.011 3.400 1.00 0.00 C ATOM 637 C LYS A 40 4.364 4.441 2.581 1.00 0.00 C ATOM 638 O LYS A 40 3.337 4.031 3.142 1.00 0.00 O ATOM 639 CB LYS A 40 6.500 3.873 3.760 1.00 0.00 C ATOM 640 CG LYS A 40 7.117 3.203 2.540 1.00 0.00 C ATOM 641 CD LYS A 40 7.875 1.940 2.913 1.00 0.00 C ATOM 642 CE LYS A 40 8.611 1.368 1.707 1.00 0.00 C ATOM 643 NZ LYS A 40 7.673 1.007 0.612 1.00 0.00 N ATOM 0 H LYS A 40 4.424 5.101 5.182 1.00 0.00 H new ATOM 0 HA LYS A 40 6.049 5.758 2.802 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.296 4.270 4.390 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.971 3.124 4.349 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.332 2.958 1.824 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.793 3.900 2.045 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.588 2.161 3.707 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.180 1.197 3.305 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.333 2.098 1.342 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.175 0.485 2.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.203 0.575 -0.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.968 0.330 0.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.190 1.863 0.272 1.00 0.00 H new ATOM 657 N SER A 41 4.514 4.467 1.270 1.00 0.00 N ATOM 658 CA SER A 41 3.545 3.834 0.380 1.00 0.00 C ATOM 659 C SER A 41 4.125 2.521 -0.120 1.00 0.00 C ATOM 660 O SER A 41 5.346 2.384 -0.261 1.00 0.00 O ATOM 661 CB SER A 41 3.235 4.769 -0.787 1.00 0.00 C ATOM 662 OG SER A 41 2.800 6.042 -0.313 1.00 0.00 O ATOM 0 H SER A 41 5.295 4.918 0.793 1.00 0.00 H new ATOM 0 HA SER A 41 2.616 3.633 0.913 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.123 4.891 -1.407 1.00 0.00 H new ATOM 0 HB3 SER A 41 2.463 4.328 -1.418 1.00 0.00 H new ATOM 0 HG SER A 41 2.608 6.627 -1.076 1.00 0.00 H new ATOM 668 N GLY A 42 3.262 1.541 -0.347 1.00 0.00 N ATOM 669 CA GLY A 42 3.728 0.232 -0.755 1.00 0.00 C ATOM 670 C GLY A 42 2.655 -0.819 -0.580 1.00 0.00 C ATOM 671 O GLY A 42 1.483 -0.532 -0.736 1.00 0.00 O ATOM 0 H GLY A 42 2.250 1.629 -0.256 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.039 0.265 -1.799 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.605 -0.042 -0.169 1.00 0.00 H new ATOM 675 N LEU A 43 3.048 -2.026 -0.223 1.00 0.00 N ATOM 676 CA LEU A 43 2.092 -3.121 -0.049 1.00 0.00 C ATOM 677 C LEU A 43 1.302 -2.931 1.242 1.00 0.00 C ATOM 678 O LEU A 43 1.660 -2.104 2.091 1.00 0.00 O ATOM 679 CB LEU A 43 2.804 -4.476 -0.031 1.00 0.00 C ATOM 680 CG LEU A 43 3.408 -4.948 -1.358 1.00 0.00 C ATOM 681 CD1 LEU A 43 2.407 -4.852 -2.483 1.00 0.00 C ATOM 682 CD2 LEU A 43 4.671 -4.150 -1.679 1.00 0.00 C ATOM 0 H LEU A 43 4.020 -2.281 -0.046 1.00 0.00 H new ATOM 0 HA LEU A 43 1.405 -3.107 -0.895 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.602 -4.433 0.711 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.094 -5.230 0.308 1.00 0.00 H new ATOM 0 HG LEU A 43 3.679 -5.998 -1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.867 -5.194 -3.410 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.543 -5.476 -2.255 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.087 -3.816 -2.598 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.089 -4.496 -2.624 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.422 -3.092 -1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 43 5.403 -4.293 -0.884 1.00 0.00 H new ATOM 694 N LYS A 44 0.252 -3.721 1.394 1.00 0.00 N ATOM 695 CA LYS A 44 -0.590 -3.657 2.582 1.00 0.00 C ATOM 696 C LYS A 44 0.203 -4.012 3.837 1.00 0.00 C ATOM 697 O LYS A 44 0.043 -3.366 4.874 1.00 0.00 O ATOM 698 CB LYS A 44 -1.805 -4.573 2.438 1.00 0.00 C ATOM 699 CG LYS A 44 -2.695 -4.632 3.676 1.00 0.00 C ATOM 700 CD LYS A 44 -4.000 -5.364 3.416 1.00 0.00 C ATOM 701 CE LYS A 44 -3.775 -6.812 3.046 1.00 0.00 C ATOM 702 NZ LYS A 44 -3.201 -7.607 4.163 1.00 0.00 N ATOM 0 H LYS A 44 -0.040 -4.417 0.708 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.944 -2.631 2.684 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.402 -4.235 1.591 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -1.461 -5.580 2.204 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.157 -5.129 4.483 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.911 -3.618 4.014 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.628 -5.311 4.305 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.541 -4.865 2.612 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.722 -7.256 2.739 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.106 -6.864 2.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -3.209 -8.616 3.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.223 -7.302 4.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -3.770 -7.461 5.021 1.00 0.00 H new ATOM 716 N LYS A 45 1.049 -5.036 3.729 1.00 0.00 N ATOM 717 CA LYS A 45 1.889 -5.437 4.847 1.00 0.00 C ATOM 718 C LYS A 45 2.818 -4.319 5.291 1.00 0.00 C ATOM 719 O LYS A 45 3.127 -4.200 6.483 1.00 0.00 O ATOM 720 CB LYS A 45 2.663 -6.731 4.519 1.00 0.00 C ATOM 721 CG LYS A 45 3.380 -6.725 3.177 1.00 0.00 C ATOM 722 CD LYS A 45 4.764 -6.115 3.272 1.00 0.00 C ATOM 723 CE LYS A 45 5.521 -6.202 1.956 1.00 0.00 C ATOM 724 NZ LYS A 45 5.669 -7.605 1.489 1.00 0.00 N ATOM 0 H LYS A 45 1.167 -5.596 2.885 1.00 0.00 H new ATOM 0 HA LYS A 45 1.233 -5.649 5.691 1.00 0.00 H new ATOM 0 HB2 LYS A 45 3.396 -6.908 5.306 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.966 -7.569 4.539 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.459 -7.746 2.805 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.787 -6.167 2.452 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.679 -5.071 3.572 1.00 0.00 H new ATOM 0 HD3 LYS A 45 5.332 -6.625 4.050 1.00 0.00 H new ATOM 0 HE2 LYS A 45 4.997 -5.621 1.197 1.00 0.00 H new ATOM 0 HE3 LYS A 45 6.507 -5.754 2.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 6.405 -7.651 0.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.940 -8.211 2.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.766 -7.937 1.095 1.00 0.00 H new ATOM 738 N ASP A 46 3.245 -3.480 4.340 1.00 0.00 N ATOM 739 CA ASP A 46 4.079 -2.334 4.652 1.00 0.00 C ATOM 740 C ASP A 46 3.297 -1.311 5.460 1.00 0.00 C ATOM 741 O ASP A 46 3.820 -0.687 6.388 1.00 0.00 O ATOM 742 CB ASP A 46 4.616 -1.665 3.386 1.00 0.00 C ATOM 743 CG ASP A 46 5.624 -2.506 2.648 1.00 0.00 C ATOM 744 OD1 ASP A 46 6.790 -2.620 3.096 1.00 0.00 O ATOM 745 OD2 ASP A 46 5.275 -3.076 1.587 1.00 0.00 O ATOM 0 H ASP A 46 3.022 -3.581 3.350 1.00 0.00 H new ATOM 0 HA ASP A 46 4.923 -2.701 5.237 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.782 -1.442 2.720 1.00 0.00 H new ATOM 0 HB3 ASP A 46 5.074 -0.713 3.653 1.00 0.00 H new ATOM 750 N CYS A 47 2.026 -1.172 5.100 1.00 0.00 N ATOM 751 CA CYS A 47 1.149 -0.246 5.753 1.00 0.00 C ATOM 752 C CYS A 47 0.777 -0.751 7.150 1.00 0.00 C ATOM 753 O CYS A 47 0.755 0.019 8.107 1.00 0.00 O ATOM 754 CB CYS A 47 -0.108 -0.082 4.903 1.00 0.00 C ATOM 755 SG CYS A 47 0.215 0.461 3.210 1.00 0.00 S ATOM 0 H CYS A 47 1.589 -1.703 4.347 1.00 0.00 H new ATOM 0 HA CYS A 47 1.652 0.715 5.864 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -0.641 -1.033 4.873 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -0.769 0.639 5.385 1.00 0.00 H new ATOM 0 HG CYS A 47 0.808 -0.492 2.554 1.00 0.00 H new ATOM 761 N LEU A 48 0.510 -2.045 7.257 1.00 0.00 N ATOM 762 CA LEU A 48 0.185 -2.665 8.531 1.00 0.00 C ATOM 763 C LEU A 48 1.325 -2.486 9.515 1.00 0.00 C ATOM 764 O LEU A 48 1.118 -2.054 10.654 1.00 0.00 O ATOM 765 CB LEU A 48 -0.092 -4.159 8.346 1.00 0.00 C ATOM 766 CG LEU A 48 -1.221 -4.489 7.362 1.00 0.00 C ATOM 767 CD1 LEU A 48 -1.469 -5.984 7.326 1.00 0.00 C ATOM 768 CD2 LEU A 48 -2.493 -3.757 7.735 1.00 0.00 C ATOM 0 H LEU A 48 0.513 -2.690 6.467 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.709 -2.180 8.923 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.822 -4.644 8.003 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.337 -4.591 9.316 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.914 -4.159 6.370 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.273 -6.203 6.623 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.561 -6.496 7.009 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.752 -6.330 8.320 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.279 -4.007 7.022 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.803 -4.054 8.737 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.314 -2.682 7.715 1.00 0.00 H new ATOM 780 N ALA A 49 2.524 -2.845 9.072 1.00 0.00 N ATOM 781 CA ALA A 49 3.730 -2.731 9.883 1.00 0.00 C ATOM 782 C ALA A 49 3.933 -1.296 10.345 1.00 0.00 C ATOM 783 O ALA A 49 4.228 -1.057 11.516 1.00 0.00 O ATOM 784 CB ALA A 49 4.943 -3.218 9.107 1.00 0.00 C ATOM 0 H ALA A 49 2.688 -3.224 8.139 1.00 0.00 H new ATOM 0 HA ALA A 49 3.610 -3.360 10.765 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.834 -3.125 9.728 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.802 -4.262 8.829 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.065 -2.616 8.207 1.00 0.00 H new ATOM 790 N TYR A 50 3.774 -0.365 9.418 1.00 0.00 N ATOM 791 CA TYR A 50 3.969 1.040 9.709 1.00 0.00 C ATOM 792 C TYR A 50 3.060 1.533 10.835 1.00 0.00 C ATOM 793 O TYR A 50 3.527 2.140 11.780 1.00 0.00 O ATOM 794 CB TYR A 50 3.764 1.901 8.464 1.00 0.00 C ATOM 795 CG TYR A 50 4.018 3.369 8.738 1.00 0.00 C ATOM 796 CD1 TYR A 50 5.312 3.857 8.850 1.00 0.00 C ATOM 797 CD2 TYR A 50 2.967 4.259 8.914 1.00 0.00 C ATOM 798 CE1 TYR A 50 5.555 5.199 9.127 1.00 0.00 C ATOM 799 CE2 TYR A 50 3.200 5.590 9.193 1.00 0.00 C ATOM 800 CZ TYR A 50 4.488 6.061 9.299 1.00 0.00 C ATOM 801 OH TYR A 50 4.721 7.378 9.583 1.00 0.00 O ATOM 0 H TYR A 50 3.509 -0.562 8.453 1.00 0.00 H new ATOM 0 HA TYR A 50 5.002 1.141 10.043 1.00 0.00 H new ATOM 0 HB2 TYR A 50 4.432 1.559 7.674 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.745 1.772 8.098 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.146 3.183 8.720 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.950 3.904 8.831 1.00 0.00 H new ATOM 0 HE1 TYR A 50 6.568 5.564 9.207 1.00 0.00 H new ATOM 0 HE2 TYR A 50 2.368 6.265 9.329 1.00 0.00 H new ATOM 0 HH TYR A 50 5.668 7.503 9.802 1.00 0.00 H new ATOM 811 N ILE A 51 1.771 1.267 10.710 1.00 0.00 N ATOM 812 CA ILE A 51 0.798 1.755 11.697 1.00 0.00 C ATOM 813 C ILE A 51 1.096 1.180 13.078 1.00 0.00 C ATOM 814 O ILE A 51 0.881 1.841 14.106 1.00 0.00 O ATOM 815 CB ILE A 51 -0.656 1.434 11.275 1.00 0.00 C ATOM 816 CG1 ILE A 51 -1.207 2.511 10.341 1.00 0.00 C ATOM 817 CG2 ILE A 51 -1.582 1.258 12.480 1.00 0.00 C ATOM 818 CD1 ILE A 51 -0.497 2.608 9.016 1.00 0.00 C ATOM 0 H ILE A 51 1.368 0.723 9.947 1.00 0.00 H new ATOM 0 HA ILE A 51 0.895 2.840 11.743 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.625 0.485 10.740 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -2.263 2.312 10.160 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.146 3.476 10.844 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.591 1.034 12.134 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.221 0.437 13.100 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.595 2.177 13.066 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.952 3.396 8.416 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.555 2.840 9.183 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.580 1.658 8.489 1.00 0.00 H new ATOM 830 N GLU A 52 1.590 -0.051 13.104 1.00 0.00 N ATOM 831 CA GLU A 52 1.933 -0.694 14.354 1.00 0.00 C ATOM 832 C GLU A 52 3.000 0.105 15.115 1.00 0.00 C ATOM 833 O GLU A 52 2.896 0.295 16.328 1.00 0.00 O ATOM 834 CB GLU A 52 2.414 -2.112 14.112 1.00 0.00 C ATOM 835 CG GLU A 52 2.058 -3.059 15.225 1.00 0.00 C ATOM 836 CD GLU A 52 0.563 -3.183 15.381 1.00 0.00 C ATOM 837 OE1 GLU A 52 -0.071 -3.863 14.551 1.00 0.00 O ATOM 838 OE2 GLU A 52 -0.001 -2.599 16.329 1.00 0.00 O ATOM 0 H GLU A 52 1.760 -0.618 12.273 1.00 0.00 H new ATOM 0 HA GLU A 52 1.032 -0.729 14.967 1.00 0.00 H new ATOM 0 HB2 GLU A 52 1.985 -2.480 13.180 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.496 -2.104 13.983 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.487 -4.040 15.022 1.00 0.00 H new ATOM 0 HG3 GLU A 52 2.495 -2.707 16.159 1.00 0.00 H new ATOM 845 N GLU A 53 4.012 0.567 14.375 1.00 0.00 N ATOM 846 CA GLU A 53 5.170 1.238 14.961 1.00 0.00 C ATOM 847 C GLU A 53 4.787 2.354 15.957 1.00 0.00 C ATOM 848 O GLU A 53 5.149 2.261 17.126 1.00 0.00 O ATOM 849 CB GLU A 53 6.116 1.761 13.884 1.00 0.00 C ATOM 850 CG GLU A 53 6.553 0.716 12.867 1.00 0.00 C ATOM 851 CD GLU A 53 7.371 -0.417 13.472 1.00 0.00 C ATOM 852 OE1 GLU A 53 6.868 -1.124 14.360 1.00 0.00 O ATOM 853 OE2 GLU A 53 8.514 -0.641 13.010 1.00 0.00 O ATOM 0 H GLU A 53 4.050 0.486 13.359 1.00 0.00 H new ATOM 0 HA GLU A 53 5.697 0.479 15.539 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.628 2.581 13.357 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.002 2.174 14.366 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.669 0.298 12.385 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.141 1.202 12.088 1.00 0.00 H new ATOM 860 N VAL A 54 4.067 3.428 15.576 1.00 0.00 N ATOM 861 CA VAL A 54 3.668 3.725 14.195 1.00 0.00 C ATOM 862 C VAL A 54 4.799 4.505 13.528 1.00 0.00 C ATOM 863 O VAL A 54 5.023 4.444 12.325 1.00 0.00 O ATOM 864 CB VAL A 54 2.345 4.541 14.131 1.00 0.00 C ATOM 865 CG1 VAL A 54 2.409 5.747 15.039 1.00 0.00 C ATOM 866 CG2 VAL A 54 2.021 4.962 12.700 1.00 0.00 C ATOM 0 H VAL A 54 3.741 4.128 16.242 1.00 0.00 H new ATOM 0 HA VAL A 54 3.485 2.786 13.673 1.00 0.00 H new ATOM 0 HB VAL A 54 1.542 3.892 14.480 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.472 6.300 14.976 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.569 5.421 16.067 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.232 6.391 14.731 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.091 5.530 12.690 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.829 5.582 12.311 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.911 4.075 12.076 1.00 0.00 H new ATOM 876 N TRP A 55 5.517 5.216 14.359 1.00 0.00 N ATOM 877 CA TRP A 55 6.847 5.610 14.031 1.00 0.00 C ATOM 878 C TRP A 55 7.735 4.863 14.994 1.00 0.00 C ATOM 879 O TRP A 55 7.314 4.544 16.104 1.00 0.00 O ATOM 880 CB TRP A 55 7.033 7.121 14.168 1.00 0.00 C ATOM 881 CG TRP A 55 8.312 7.618 13.551 1.00 0.00 C ATOM 882 CD1 TRP A 55 9.387 8.143 14.191 1.00 0.00 C ATOM 883 CD2 TRP A 55 8.641 7.607 12.152 1.00 0.00 C ATOM 884 NE1 TRP A 55 10.370 8.465 13.283 1.00 0.00 N ATOM 885 CE2 TRP A 55 9.932 8.153 12.034 1.00 0.00 C ATOM 886 CE3 TRP A 55 7.969 7.194 11.005 1.00 0.00 C ATOM 887 CZ2 TRP A 55 10.564 8.285 10.797 1.00 0.00 C ATOM 888 CZ3 TRP A 55 8.596 7.334 9.776 1.00 0.00 C ATOM 889 CH2 TRP A 55 9.888 7.874 9.682 1.00 0.00 C ATOM 0 H TRP A 55 5.192 5.532 15.273 1.00 0.00 H new ATOM 0 HA TRP A 55 7.088 5.376 12.994 1.00 0.00 H new ATOM 0 HB2 TRP A 55 6.190 7.629 13.700 1.00 0.00 H new ATOM 0 HB3 TRP A 55 7.019 7.388 15.225 1.00 0.00 H new ATOM 0 HD1 TRP A 55 9.461 8.287 15.259 1.00 0.00 H new ATOM 0 HE1 TRP A 55 11.278 8.871 13.510 1.00 0.00 H new ATOM 0 HE3 TRP A 55 6.977 6.772 11.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 11.558 8.700 10.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 8.083 7.023 8.878 1.00 0.00 H new ATOM 0 HH2 TRP A 55 10.356 7.966 8.713 1.00 0.00 H new ATOM 900 N THR A 56 8.952 4.580 14.603 1.00 0.00 N ATOM 901 CA THR A 56 9.809 3.764 15.417 1.00 0.00 C ATOM 902 C THR A 56 11.242 4.278 15.365 1.00 0.00 C ATOM 903 O THR A 56 11.739 4.670 14.305 1.00 0.00 O ATOM 904 CB THR A 56 9.754 2.275 15.001 1.00 0.00 C ATOM 905 OG1 THR A 56 10.590 1.487 15.858 1.00 0.00 O ATOM 906 CG2 THR A 56 10.200 2.097 13.556 1.00 0.00 C ATOM 0 H THR A 56 9.368 4.902 13.729 1.00 0.00 H new ATOM 0 HA THR A 56 9.445 3.831 16.442 1.00 0.00 H new ATOM 0 HB THR A 56 8.721 1.940 15.094 1.00 0.00 H new ATOM 0 HG1 THR A 56 10.802 0.638 15.417 1.00 0.00 H new ATOM 0 HG21 THR A 56 10.152 1.042 13.288 1.00 0.00 H new ATOM 0 HG22 THR A 56 9.543 2.668 12.900 1.00 0.00 H new ATOM 0 HG23 THR A 56 11.224 2.454 13.445 1.00 0.00 H new ATOM 914 N ASP A 57 11.888 4.310 16.516 1.00 0.00 N ATOM 915 CA ASP A 57 13.278 4.715 16.635 1.00 0.00 C ATOM 916 C ASP A 57 14.004 3.847 17.636 1.00 0.00 C ATOM 917 O ASP A 57 15.170 3.513 17.461 1.00 0.00 O ATOM 918 CB ASP A 57 13.357 6.185 17.056 1.00 0.00 C ATOM 919 CG ASP A 57 14.777 6.619 17.332 1.00 0.00 C ATOM 920 OD1 ASP A 57 15.552 6.803 16.367 1.00 0.00 O ATOM 921 OD2 ASP A 57 15.132 6.771 18.523 1.00 0.00 O ATOM 0 H ASP A 57 11.458 4.053 17.405 1.00 0.00 H new ATOM 0 HA ASP A 57 13.760 4.594 15.665 1.00 0.00 H new ATOM 0 HB2 ASP A 57 12.933 6.810 16.270 1.00 0.00 H new ATOM 0 HB3 ASP A 57 12.751 6.340 17.949 1.00 0.00 H new ATOM 926 N MET A 58 13.303 3.491 18.715 1.00 0.00 N ATOM 927 CA MET A 58 13.875 2.647 19.756 1.00 0.00 C ATOM 928 C MET A 58 13.655 1.180 19.431 1.00 0.00 C ATOM 929 O MET A 58 14.584 0.371 19.448 1.00 0.00 O ATOM 930 CB MET A 58 13.276 2.944 21.123 1.00 0.00 C ATOM 931 CG MET A 58 13.550 4.338 21.638 1.00 0.00 C ATOM 932 SD MET A 58 12.926 4.593 23.314 1.00 0.00 S ATOM 933 CE MET A 58 13.844 3.347 24.213 1.00 0.00 C ATOM 0 H MET A 58 12.339 3.776 18.887 1.00 0.00 H new ATOM 0 HA MET A 58 14.942 2.867 19.791 1.00 0.00 H new ATOM 0 HB2 MET A 58 12.197 2.794 21.073 1.00 0.00 H new ATOM 0 HB3 MET A 58 13.665 2.222 21.841 1.00 0.00 H new ATOM 0 HG2 MET A 58 14.624 4.523 21.622 1.00 0.00 H new ATOM 0 HG3 MET A 58 13.091 5.066 20.969 1.00 0.00 H new ATOM 0 HE1 MET A 58 14.127 3.738 25.190 1.00 0.00 H new ATOM 0 HE2 MET A 58 13.223 2.461 24.343 1.00 0.00 H new ATOM 0 HE3 MET A 58 14.742 3.083 23.654 1.00 0.00 H new ATOM 943 N ARG A 59 12.410 0.834 19.133 1.00 0.00 N ATOM 944 CA ARG A 59 12.047 -0.548 18.938 1.00 0.00 C ATOM 945 C ARG A 59 10.826 -0.658 18.034 1.00 0.00 C ATOM 946 O ARG A 59 9.821 0.035 18.237 1.00 0.00 O ATOM 947 CB ARG A 59 11.764 -1.195 20.296 1.00 0.00 C ATOM 948 CG ARG A 59 11.488 -2.687 20.230 1.00 0.00 C ATOM 949 CD ARG A 59 11.279 -3.265 21.602 1.00 0.00 C ATOM 950 NE ARG A 59 12.401 -2.954 22.505 1.00 0.00 N ATOM 951 CZ ARG A 59 12.335 -3.007 23.821 1.00 0.00 C ATOM 952 NH1 ARG A 59 11.211 -3.375 24.424 1.00 0.00 N ATOM 953 NH2 ARG A 59 13.402 -2.671 24.549 1.00 0.00 N ATOM 0 H ARG A 59 11.641 1.496 19.023 1.00 0.00 H new ATOM 0 HA ARG A 59 12.874 -1.069 18.455 1.00 0.00 H new ATOM 0 HB2 ARG A 59 12.617 -1.024 20.952 1.00 0.00 H new ATOM 0 HB3 ARG A 59 10.907 -0.698 20.751 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.605 -2.869 19.618 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.322 -3.192 19.743 1.00 0.00 H new ATOM 0 HD2 ARG A 59 10.354 -2.873 22.024 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.162 -4.346 21.527 1.00 0.00 H new ATOM 0 HE ARG A 59 13.288 -2.679 22.084 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.391 -3.619 23.869 1.00 0.00 H new ATOM 0 HH12 ARG A 59 11.168 -3.414 25.442 1.00 0.00 H new ATOM 0 HH21 ARG A 59 14.262 -2.375 24.087 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.357 -2.710 25.567 1.00 0.00 H new ATOM 967 N PRO A 60 10.888 -1.520 17.014 1.00 0.00 N ATOM 968 CA PRO A 60 9.738 -1.811 16.179 1.00 0.00 C ATOM 969 C PRO A 60 8.786 -2.787 16.873 1.00 0.00 C ATOM 970 O PRO A 60 8.980 -3.994 16.843 1.00 0.00 O ATOM 971 CB PRO A 60 10.358 -2.454 14.927 1.00 0.00 C ATOM 972 CG PRO A 60 11.623 -3.057 15.400 1.00 0.00 C ATOM 973 CD PRO A 60 12.099 -2.234 16.576 1.00 0.00 C ATOM 0 HA PRO A 60 9.144 -0.925 15.956 1.00 0.00 H new ATOM 0 HB2 PRO A 60 9.696 -3.207 14.500 1.00 0.00 H new ATOM 0 HB3 PRO A 60 10.540 -1.712 14.150 1.00 0.00 H new ATOM 0 HG2 PRO A 60 11.468 -4.095 15.695 1.00 0.00 H new ATOM 0 HG3 PRO A 60 12.369 -3.059 14.605 1.00 0.00 H new ATOM 0 HD2 PRO A 60 12.501 -2.864 17.369 1.00 0.00 H new ATOM 0 HD3 PRO A 60 12.890 -1.542 16.287 1.00 0.00 H new ATOM 981 N LEU A 61 7.751 -2.241 17.527 1.00 0.00 N ATOM 982 CA LEU A 61 6.820 -3.064 18.303 1.00 0.00 C ATOM 983 C LEU A 61 5.915 -3.881 17.389 1.00 0.00 C ATOM 984 O LEU A 61 5.068 -4.636 17.872 1.00 0.00 O ATOM 985 CB LEU A 61 6.005 -2.222 19.277 1.00 0.00 C ATOM 986 CG LEU A 61 5.371 -0.952 18.698 1.00 0.00 C ATOM 987 CD1 LEU A 61 4.003 -0.722 19.314 1.00 0.00 C ATOM 988 CD2 LEU A 61 6.279 0.242 18.949 1.00 0.00 C ATOM 0 H LEU A 61 7.541 -1.243 17.533 1.00 0.00 H new ATOM 0 HA LEU A 61 7.414 -3.761 18.894 1.00 0.00 H new ATOM 0 HB2 LEU A 61 5.211 -2.845 19.689 1.00 0.00 H new ATOM 0 HB3 LEU A 61 6.650 -1.936 20.108 1.00 0.00 H new ATOM 0 HG LEU A 61 5.247 -1.075 17.622 1.00 0.00 H new ATOM 0 HD11 LEU A 61 3.563 0.183 18.895 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.358 -1.574 19.097 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.104 -0.610 20.393 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.822 1.140 18.535 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.423 0.370 20.022 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.244 0.072 18.471 1.00 0.00 H new ATOM 1000 N SER A 62 6.098 -3.754 16.091 1.00 0.00 N ATOM 1001 CA SER A 62 5.476 -4.646 15.127 1.00 0.00 C ATOM 1002 C SER A 62 5.974 -6.083 15.346 1.00 0.00 C ATOM 1003 O SER A 62 5.450 -7.051 14.768 1.00 0.00 O ATOM 1004 CB SER A 62 5.760 -4.162 13.716 1.00 0.00 C ATOM 1005 OG SER A 62 7.094 -3.683 13.617 1.00 0.00 O ATOM 0 H SER A 62 6.682 -3.030 15.672 1.00 0.00 H new ATOM 0 HA SER A 62 4.395 -4.643 15.269 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.605 -4.976 13.007 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.061 -3.369 13.449 1.00 0.00 H new ATOM 0 HG SER A 62 7.124 -2.741 13.887 1.00 0.00 H new ATOM 1011 N LEU A 63 6.990 -6.226 16.205 1.00 0.00 N ATOM 1012 CA LEU A 63 7.506 -7.525 16.586 1.00 0.00 C ATOM 1013 C LEU A 63 6.409 -8.368 17.275 1.00 0.00 C ATOM 1014 O LEU A 63 6.429 -9.594 17.231 1.00 0.00 O ATOM 1015 CB LEU A 63 8.738 -7.369 17.503 1.00 0.00 C ATOM 1016 CG LEU A 63 8.525 -6.597 18.820 1.00 0.00 C ATOM 1017 CD1 LEU A 63 7.935 -7.486 19.914 1.00 0.00 C ATOM 1018 CD2 LEU A 63 9.825 -5.980 19.303 1.00 0.00 C ATOM 0 H LEU A 63 7.469 -5.442 16.648 1.00 0.00 H new ATOM 0 HA LEU A 63 7.817 -8.051 15.683 1.00 0.00 H new ATOM 0 HB2 LEU A 63 9.109 -8.364 17.748 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.523 -6.867 16.937 1.00 0.00 H new ATOM 0 HG LEU A 63 7.810 -5.802 18.609 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.801 -6.902 20.825 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.970 -7.874 19.587 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.612 -8.317 20.112 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.648 -5.441 20.234 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.560 -6.767 19.473 1.00 0.00 H new ATOM 0 HD23 LEU A 63 10.202 -5.289 18.549 1.00 0.00 H new ATOM 1030 N ARG A 64 5.437 -7.693 17.871 1.00 0.00 N ATOM 1031 CA ARG A 64 4.350 -8.383 18.544 1.00 0.00 C ATOM 1032 C ARG A 64 3.423 -9.036 17.524 1.00 0.00 C ATOM 1033 O ARG A 64 2.656 -9.935 17.853 1.00 0.00 O ATOM 1034 CB ARG A 64 3.564 -7.427 19.451 1.00 0.00 C ATOM 1035 CG ARG A 64 2.749 -6.366 18.710 1.00 0.00 C ATOM 1036 CD ARG A 64 2.037 -5.445 19.685 1.00 0.00 C ATOM 1037 NE ARG A 64 1.319 -4.353 19.013 1.00 0.00 N ATOM 1038 CZ ARG A 64 0.736 -3.337 19.654 1.00 0.00 C ATOM 1039 NH1 ARG A 64 0.786 -3.264 20.976 1.00 0.00 N ATOM 1040 NH2 ARG A 64 0.108 -2.389 18.962 1.00 0.00 N ATOM 0 H ARG A 64 5.380 -6.675 17.902 1.00 0.00 H new ATOM 0 HA ARG A 64 4.782 -9.162 19.173 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.889 -8.013 20.075 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.263 -6.926 20.120 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.407 -5.781 18.067 1.00 0.00 H new ATOM 0 HG3 ARG A 64 2.018 -6.851 18.063 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.332 -6.027 20.279 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.765 -5.023 20.378 1.00 0.00 H new ATOM 0 HE ARG A 64 1.263 -4.372 17.995 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.271 -3.986 21.509 1.00 0.00 H new ATOM 0 HH12 ARG A 64 0.339 -2.486 21.461 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.073 -2.439 17.944 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.338 -1.612 19.450 1.00 0.00 H new ATOM 1054 N GLN A 65 3.519 -8.587 16.272 1.00 0.00 N ATOM 1055 CA GLN A 65 2.732 -9.187 15.203 1.00 0.00 C ATOM 1056 C GLN A 65 3.481 -10.374 14.611 1.00 0.00 C ATOM 1057 O GLN A 65 2.993 -11.032 13.691 1.00 0.00 O ATOM 1058 CB GLN A 65 2.408 -8.140 14.133 1.00 0.00 C ATOM 1059 CG GLN A 65 1.634 -6.933 14.655 1.00 0.00 C ATOM 1060 CD GLN A 65 0.284 -7.292 15.251 1.00 0.00 C ATOM 1061 OE1 GLN A 65 0.062 -8.404 15.744 1.00 0.00 O ATOM 1062 NE2 GLN A 65 -0.649 -6.353 15.192 1.00 0.00 N ATOM 0 H GLN A 65 4.126 -7.821 15.979 1.00 0.00 H new ATOM 0 HA GLN A 65 1.788 -9.551 15.609 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.339 -7.794 13.685 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.829 -8.614 13.340 1.00 0.00 H new ATOM 0 HG2 GLN A 65 2.233 -6.426 15.411 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.486 -6.226 13.839 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -0.434 -5.446 14.779 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.582 -6.538 15.560 1.00 0.00 H new ATOM 1071 N HIS A 66 4.670 -10.637 15.142 1.00 0.00 N ATOM 1072 CA HIS A 66 5.410 -11.838 14.777 1.00 0.00 C ATOM 1073 C HIS A 66 4.873 -13.009 15.580 1.00 0.00 C ATOM 1074 O HIS A 66 5.068 -14.179 15.232 1.00 0.00 O ATOM 1075 CB HIS A 66 6.916 -11.677 15.062 1.00 0.00 C ATOM 1076 CG HIS A 66 7.593 -10.616 14.247 1.00 0.00 C ATOM 1077 ND1 HIS A 66 8.802 -10.060 14.596 1.00 0.00 N ATOM 1078 CD2 HIS A 66 7.243 -10.021 13.080 1.00 0.00 C ATOM 1079 CE1 HIS A 66 9.159 -9.185 13.694 1.00 0.00 C ATOM 1080 NE2 HIS A 66 8.233 -9.147 12.758 1.00 0.00 N ATOM 0 H HIS A 66 5.139 -10.039 15.822 1.00 0.00 H new ATOM 0 HA HIS A 66 5.282 -12.012 13.709 1.00 0.00 H new ATOM 0 HB2 HIS A 66 7.050 -11.447 16.119 1.00 0.00 H new ATOM 0 HB3 HIS A 66 7.412 -12.630 14.878 1.00 0.00 H new ATOM 0 HD2 HIS A 66 6.344 -10.207 12.511 1.00 0.00 H new ATOM 0 HE1 HIS A 66 10.062 -8.592 13.713 1.00 0.00 H new ATOM 0 HE2 HIS A 66 8.255 -8.557 11.926 1.00 0.00 H new ATOM 1089 N MET A 67 4.168 -12.669 16.679 1.00 0.00 N ATOM 1090 CA MET A 67 3.475 -13.659 17.471 1.00 0.00 C ATOM 1091 C MET A 67 2.240 -14.123 16.720 1.00 0.00 C ATOM 1092 O MET A 67 1.872 -15.292 16.762 1.00 0.00 O ATOM 1093 CB MET A 67 3.070 -13.083 18.834 1.00 0.00 C ATOM 1094 CG MET A 67 4.236 -12.563 19.643 1.00 0.00 C ATOM 1095 SD MET A 67 5.452 -13.836 20.044 1.00 0.00 S ATOM 1096 CE MET A 67 6.595 -12.885 21.042 1.00 0.00 C ATOM 0 H MET A 67 4.075 -11.713 17.023 1.00 0.00 H new ATOM 0 HA MET A 67 4.143 -14.503 17.644 1.00 0.00 H new ATOM 0 HB2 MET A 67 2.357 -12.274 18.679 1.00 0.00 H new ATOM 0 HB3 MET A 67 2.557 -13.855 19.407 1.00 0.00 H new ATOM 0 HG2 MET A 67 4.727 -11.764 19.088 1.00 0.00 H new ATOM 0 HG3 MET A 67 3.861 -12.125 20.568 1.00 0.00 H new ATOM 0 HE1 MET A 67 7.411 -13.528 21.372 1.00 0.00 H new ATOM 0 HE2 MET A 67 6.997 -12.063 20.450 1.00 0.00 H new ATOM 0 HE3 MET A 67 6.073 -12.485 21.911 1.00 0.00 H new ATOM 1106 N ASP A 68 1.620 -13.189 16.020 1.00 0.00 N ATOM 1107 CA ASP A 68 0.482 -13.514 15.163 1.00 0.00 C ATOM 1108 C ASP A 68 0.928 -14.360 14.002 1.00 0.00 C ATOM 1109 O ASP A 68 0.684 -15.573 13.975 1.00 0.00 O ATOM 1110 CB ASP A 68 -0.183 -12.217 14.667 1.00 0.00 C ATOM 1111 CG ASP A 68 -1.198 -12.458 13.562 1.00 0.00 C ATOM 1112 OD1 ASP A 68 -2.178 -13.198 13.782 1.00 0.00 O ATOM 1113 OD2 ASP A 68 -1.024 -11.900 12.462 1.00 0.00 O ATOM 0 H ASP A 68 1.880 -12.203 16.025 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.248 -14.084 15.739 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.676 -11.724 15.505 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.587 -11.536 14.304 1.00 0.00 H new ATOM 1118 N LYS A 69 1.633 -13.750 13.048 1.00 0.00 N ATOM 1119 CA LYS A 69 2.153 -14.476 11.889 1.00 0.00 C ATOM 1120 C LYS A 69 3.479 -13.882 11.438 1.00 0.00 C ATOM 1121 O LYS A 69 4.533 -14.456 11.702 1.00 0.00 O ATOM 1122 CB LYS A 69 1.140 -14.494 10.727 1.00 0.00 C ATOM 1123 CG LYS A 69 -0.050 -15.397 10.958 1.00 0.00 C ATOM 1124 CD LYS A 69 0.374 -16.854 11.005 1.00 0.00 C ATOM 1125 CE LYS A 69 -0.787 -17.771 11.365 1.00 0.00 C ATOM 1126 NZ LYS A 69 -1.242 -17.564 12.768 1.00 0.00 N ATOM 0 H LYS A 69 1.857 -12.755 13.055 1.00 0.00 H new ATOM 0 HA LYS A 69 2.319 -15.509 12.194 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.784 -13.478 10.554 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.652 -14.811 9.818 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.540 -15.127 11.893 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.781 -15.253 10.162 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.780 -17.145 10.036 1.00 0.00 H new ATOM 0 HD3 LYS A 69 1.173 -16.976 11.736 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.618 -17.590 10.683 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.485 -18.810 11.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.222 -18.471 13.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.610 -16.887 13.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.212 -17.189 12.767 1.00 0.00 H new ATOM 1140 N ALA A 70 3.439 -12.745 10.748 1.00 0.00 N ATOM 1141 CA ALA A 70 4.652 -12.169 10.173 1.00 0.00 C ATOM 1142 C ALA A 70 4.599 -10.641 10.103 1.00 0.00 C ATOM 1143 O ALA A 70 5.265 -10.038 9.267 1.00 0.00 O ATOM 1144 CB ALA A 70 4.890 -12.756 8.798 1.00 0.00 C ATOM 0 H ALA A 70 2.589 -12.209 10.574 1.00 0.00 H new ATOM 0 HA ALA A 70 5.483 -12.423 10.831 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.795 -12.325 8.370 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.005 -13.837 8.879 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.041 -12.529 8.154 1.00 0.00 H new ATOM 1150 N ALA A 71 3.817 -10.030 11.007 1.00 0.00 N ATOM 1151 CA ALA A 71 3.692 -8.559 11.073 1.00 0.00 C ATOM 1152 C ALA A 71 3.017 -7.992 9.836 1.00 0.00 C ATOM 1153 O ALA A 71 3.184 -6.816 9.501 1.00 0.00 O ATOM 1154 CB ALA A 71 5.054 -7.913 11.292 1.00 0.00 C ATOM 0 H ALA A 71 3.261 -10.528 11.703 1.00 0.00 H new ATOM 0 HA ALA A 71 3.055 -8.323 11.926 1.00 0.00 H new ATOM 0 HB1 ALA A 71 4.940 -6.830 11.338 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.481 -8.273 12.228 1.00 0.00 H new ATOM 0 HB3 ALA A 71 5.717 -8.174 10.467 1.00 0.00 H new ATOM 1160 N GLY A 72 2.247 -8.832 9.141 1.00 0.00 N ATOM 1161 CA GLY A 72 1.557 -8.399 7.959 1.00 0.00 C ATOM 1162 C GLY A 72 0.324 -9.226 7.682 1.00 0.00 C ATOM 1163 O GLY A 72 -0.253 -9.774 8.661 1.00 0.00 O ATOM 1164 OXT GLY A 72 -0.092 -9.326 6.521 1.00 0.00 O ATOM 0 H GLY A 72 2.096 -9.810 9.388 1.00 0.00 H new ATOM 0 HA2 GLY A 72 1.273 -7.352 8.069 1.00 0.00 H new ATOM 0 HA3 GLY A 72 2.231 -8.458 7.105 1.00 0.00 H new TER 1168 GLY A 72