USER MOD reduce.3.24.130724 H: found=0, std=0, add=741, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 741 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 25 GLN : amide:sc= 0.796 K(o=1.7,f=-1.5) USER MOD Set 1.2: A 85 TYR OH : rot 6:sc= 0.932 USER MOD Set 2.1: A 54 GLN : amide:sc= 0.661 X(o=-2.8,f=-2.6) USER MOD Set 2.2: A 55 GLN : amide:sc= -3.41 X(o=-2.8,f=-2.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -169:sc=-0.00268 (180deg=-0.215) USER MOD Single : A 5 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.559) USER MOD Single : A 7 ASN : amide:sc= -3.87! C(o=-3.9!,f=-4.5!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot -49:sc= 1.07 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0.09) USER MOD Single : A 24 GLN : amide:sc= -0.281 K(o=-0.28,f=-1.4) USER MOD Single : A 28 ASN : amide:sc= -3.04 K(o=-3,f=-4.3) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 148:sc= -0.604 (180deg=-3.35!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -131:sc= -2.5 (180deg=-4.96!) USER MOD Single : A 46 ASN : amide:sc=-0.00507 X(o=-0.0051,f=-0.27) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 37:sc= -0.135 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.0834 K(o=-0.083,f=-2.6!) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 THR OG1 : rot -83:sc= 1.16 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.013 -9.033 -15.050 1.00 0.00 N ATOM 2 CA MET A 1 -11.459 -9.078 -13.671 1.00 0.00 C ATOM 3 C MET A 1 -12.157 -10.144 -12.832 1.00 0.00 C ATOM 4 O MET A 1 -13.290 -9.954 -12.386 1.00 0.00 O ATOM 5 CB MET A 1 -11.635 -7.701 -13.029 1.00 0.00 C ATOM 6 CG MET A 1 -10.950 -6.581 -13.795 1.00 0.00 C ATOM 7 SD MET A 1 -10.946 -5.022 -12.890 1.00 0.00 S ATOM 8 CE MET A 1 -10.163 -3.939 -14.083 1.00 0.00 C ATOM 0 H1 MET A 1 -11.405 -8.439 -15.649 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.050 -9.996 -15.441 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.972 -8.632 -15.026 1.00 0.00 H new ATOM 0 HA MET A 1 -10.401 -9.337 -13.718 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.699 -7.479 -12.951 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.240 -7.730 -12.013 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.923 -6.872 -14.015 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.453 -6.440 -14.752 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.088 -2.934 -13.668 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.165 -4.312 -14.313 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.759 -3.911 -14.995 1.00 0.00 H new ATOM 20 N ALA A 2 -11.475 -11.263 -12.620 1.00 0.00 N ATOM 21 CA ALA A 2 -12.029 -12.359 -11.833 1.00 0.00 C ATOM 22 C ALA A 2 -11.802 -12.134 -10.342 1.00 0.00 C ATOM 23 O ALA A 2 -12.725 -11.771 -9.612 1.00 0.00 O ATOM 24 CB ALA A 2 -11.418 -13.682 -12.268 1.00 0.00 C ATOM 0 H ALA A 2 -10.537 -11.436 -12.982 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.104 -12.393 -12.009 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.840 -14.491 -11.672 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -11.637 -13.855 -13.322 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -10.338 -13.650 -12.122 1.00 0.00 H new ATOM 30 N LEU A 3 -10.570 -12.351 -9.896 1.00 0.00 N ATOM 31 CA LEU A 3 -10.221 -12.172 -8.492 1.00 0.00 C ATOM 32 C LEU A 3 -11.047 -13.097 -7.604 1.00 0.00 C ATOM 33 O LEU A 3 -12.253 -12.908 -7.446 1.00 0.00 O ATOM 34 CB LEU A 3 -10.439 -10.717 -8.073 1.00 0.00 C ATOM 35 CG LEU A 3 -9.251 -9.787 -8.324 1.00 0.00 C ATOM 36 CD1 LEU A 3 -9.702 -8.335 -8.330 1.00 0.00 C ATOM 37 CD2 LEU A 3 -8.172 -10.007 -7.274 1.00 0.00 C ATOM 0 H LEU A 3 -9.795 -12.652 -10.487 1.00 0.00 H new ATOM 0 HA LEU A 3 -9.168 -12.425 -8.370 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -11.306 -10.327 -8.607 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -10.682 -10.693 -7.011 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.832 -10.020 -9.303 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.843 -7.688 -8.510 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.440 -8.186 -9.118 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -10.147 -8.088 -7.366 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.334 -9.337 -7.468 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.580 -9.801 -6.284 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.828 -11.040 -7.317 1.00 0.00 H new ATOM 49 N LEU A 4 -10.390 -14.099 -7.029 1.00 0.00 N ATOM 50 CA LEU A 4 -11.063 -15.054 -6.157 1.00 0.00 C ATOM 51 C LEU A 4 -11.643 -14.355 -4.930 1.00 0.00 C ATOM 52 O LEU A 4 -11.260 -13.232 -4.604 1.00 0.00 O ATOM 53 CB LEU A 4 -10.091 -16.151 -5.721 1.00 0.00 C ATOM 54 CG LEU A 4 -10.712 -17.541 -5.565 1.00 0.00 C ATOM 55 CD1 LEU A 4 -11.203 -18.059 -6.908 1.00 0.00 C ATOM 56 CD2 LEU A 4 -9.707 -18.506 -4.955 1.00 0.00 C ATOM 0 H LEU A 4 -9.392 -14.270 -7.151 1.00 0.00 H new ATOM 0 HA LEU A 4 -11.882 -15.506 -6.717 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.283 -16.210 -6.450 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.642 -15.861 -4.771 1.00 0.00 H new ATOM 0 HG LEU A 4 -11.567 -17.464 -4.894 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -11.642 -19.048 -6.778 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.955 -17.378 -7.308 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.365 -18.122 -7.602 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.164 -19.490 -4.851 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.833 -18.579 -5.603 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.402 -18.142 -3.974 1.00 0.00 H new ATOM 68 N LYS A 5 -12.569 -15.029 -4.255 1.00 0.00 N ATOM 69 CA LYS A 5 -13.202 -14.474 -3.064 1.00 0.00 C ATOM 70 C LYS A 5 -12.171 -14.220 -1.969 1.00 0.00 C ATOM 71 O LYS A 5 -12.108 -13.128 -1.404 1.00 0.00 O ATOM 72 CB LYS A 5 -14.287 -15.421 -2.549 1.00 0.00 C ATOM 73 CG LYS A 5 -15.437 -14.709 -1.856 1.00 0.00 C ATOM 74 CD LYS A 5 -16.603 -14.481 -2.804 1.00 0.00 C ATOM 75 CE LYS A 5 -16.598 -13.068 -3.365 1.00 0.00 C ATOM 76 NZ LYS A 5 -15.982 -13.010 -4.719 1.00 0.00 N ATOM 0 H LYS A 5 -12.897 -15.960 -4.512 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.659 -13.523 -3.336 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -14.680 -15.999 -3.385 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -13.838 -16.131 -1.854 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -15.771 -15.299 -1.003 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -15.091 -13.752 -1.466 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.553 -15.199 -3.623 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -17.541 -14.662 -2.279 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -17.621 -12.694 -3.415 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -16.051 -12.411 -2.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -15.567 -12.069 -4.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -15.238 -13.733 -4.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.710 -13.188 -5.440 1.00 0.00 H new ATOM 90 N ALA A 6 -11.365 -15.234 -1.675 1.00 0.00 N ATOM 91 CA ALA A 6 -10.337 -15.121 -0.648 1.00 0.00 C ATOM 92 C ALA A 6 -9.190 -14.231 -1.115 1.00 0.00 C ATOM 93 O ALA A 6 -8.595 -13.501 -0.322 1.00 0.00 O ATOM 94 CB ALA A 6 -9.816 -16.499 -0.269 1.00 0.00 C ATOM 0 H ALA A 6 -11.404 -16.144 -2.134 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.786 -14.659 0.231 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.049 -16.399 0.499 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -10.637 -17.105 0.114 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.389 -16.981 -1.148 1.00 0.00 H new ATOM 100 N ASN A 7 -8.886 -14.296 -2.406 1.00 0.00 N ATOM 101 CA ASN A 7 -7.811 -13.495 -2.980 1.00 0.00 C ATOM 102 C ASN A 7 -8.142 -12.008 -2.909 1.00 0.00 C ATOM 103 O ASN A 7 -7.321 -11.198 -2.478 1.00 0.00 O ATOM 104 CB ASN A 7 -7.559 -13.905 -4.432 1.00 0.00 C ATOM 105 CG ASN A 7 -6.530 -15.012 -4.552 1.00 0.00 C ATOM 106 OD1 ASN A 7 -5.675 -14.988 -5.436 1.00 0.00 O ATOM 107 ND2 ASN A 7 -6.609 -15.992 -3.658 1.00 0.00 N ATOM 0 H ASN A 7 -9.369 -14.895 -3.075 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.908 -13.676 -2.397 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -8.496 -14.234 -4.881 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -7.222 -13.037 -4.998 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -5.944 -16.765 -3.688 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.335 -15.971 -2.942 1.00 0.00 H new ATOM 114 N LYS A 8 -9.350 -11.656 -3.335 1.00 0.00 N ATOM 115 CA LYS A 8 -9.792 -10.266 -3.321 1.00 0.00 C ATOM 116 C LYS A 8 -10.042 -9.790 -1.893 1.00 0.00 C ATOM 117 O LYS A 8 -9.854 -8.615 -1.579 1.00 0.00 O ATOM 118 CB LYS A 8 -11.063 -10.103 -4.156 1.00 0.00 C ATOM 119 CG LYS A 8 -11.328 -8.670 -4.588 1.00 0.00 C ATOM 120 CD LYS A 8 -12.817 -8.390 -4.702 1.00 0.00 C ATOM 121 CE LYS A 8 -13.428 -9.099 -5.900 1.00 0.00 C ATOM 122 NZ LYS A 8 -13.543 -8.198 -7.080 1.00 0.00 N ATOM 0 H LYS A 8 -10.041 -12.314 -3.695 1.00 0.00 H new ATOM 0 HA LYS A 8 -9.001 -9.655 -3.756 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -10.989 -10.733 -5.042 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -11.915 -10.463 -3.580 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -10.881 -7.983 -3.869 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -10.847 -8.483 -5.548 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -13.320 -8.714 -3.791 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -12.980 -7.316 -4.791 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -12.817 -9.963 -6.161 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -14.415 -9.476 -5.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -13.964 -8.719 -7.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.147 -7.386 -6.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -12.598 -7.858 -7.351 1.00 0.00 H new ATOM 136 N ASP A 9 -10.467 -10.711 -1.034 1.00 0.00 N ATOM 137 CA ASP A 9 -10.743 -10.386 0.360 1.00 0.00 C ATOM 138 C ASP A 9 -9.455 -10.055 1.107 1.00 0.00 C ATOM 139 O ASP A 9 -9.450 -9.231 2.021 1.00 0.00 O ATOM 140 CB ASP A 9 -11.459 -11.551 1.045 1.00 0.00 C ATOM 141 CG ASP A 9 -11.973 -11.184 2.423 1.00 0.00 C ATOM 142 OD1 ASP A 9 -13.018 -10.504 2.504 1.00 0.00 O ATOM 143 OD2 ASP A 9 -11.332 -11.576 3.420 1.00 0.00 O ATOM 0 H ASP A 9 -10.628 -11.688 -1.279 1.00 0.00 H new ATOM 0 HA ASP A 9 -11.389 -9.509 0.381 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -12.293 -11.877 0.424 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -10.775 -12.396 1.128 1.00 0.00 H new ATOM 148 N LEU A 10 -8.364 -10.704 0.711 1.00 0.00 N ATOM 149 CA LEU A 10 -7.070 -10.480 1.342 1.00 0.00 C ATOM 150 C LEU A 10 -6.540 -9.088 1.014 1.00 0.00 C ATOM 151 O LEU A 10 -6.070 -8.369 1.895 1.00 0.00 O ATOM 152 CB LEU A 10 -6.074 -11.547 0.883 1.00 0.00 C ATOM 153 CG LEU A 10 -5.658 -12.549 1.961 1.00 0.00 C ATOM 154 CD1 LEU A 10 -4.623 -13.521 1.415 1.00 0.00 C ATOM 155 CD2 LEU A 10 -5.119 -11.822 3.184 1.00 0.00 C ATOM 0 H LEU A 10 -8.352 -11.389 -0.044 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.196 -10.550 2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -6.511 -12.095 0.048 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.180 -11.050 0.506 1.00 0.00 H new ATOM 0 HG LEU A 10 -6.538 -13.119 2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.339 -14.226 2.196 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.045 -14.065 0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.742 -12.969 1.087 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.828 -12.550 3.941 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.251 -11.227 2.900 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.891 -11.168 3.588 1.00 0.00 H new ATOM 167 N ILE A 11 -6.620 -8.715 -0.258 1.00 0.00 N ATOM 168 CA ILE A 11 -6.148 -7.410 -0.703 1.00 0.00 C ATOM 169 C ILE A 11 -7.063 -6.296 -0.202 1.00 0.00 C ATOM 170 O ILE A 11 -6.605 -5.198 0.112 1.00 0.00 O ATOM 171 CB ILE A 11 -6.060 -7.335 -2.240 1.00 0.00 C ATOM 172 CG1 ILE A 11 -5.291 -8.538 -2.788 1.00 0.00 C ATOM 173 CG2 ILE A 11 -5.399 -6.034 -2.671 1.00 0.00 C ATOM 174 CD1 ILE A 11 -5.173 -8.543 -4.297 1.00 0.00 C ATOM 0 H ILE A 11 -7.008 -9.298 -0.999 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.151 -7.275 -0.284 1.00 0.00 H new ATOM 0 HB ILE A 11 -7.070 -7.358 -2.648 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.291 -8.549 -2.353 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.788 -9.454 -2.467 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.344 -5.997 -3.759 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -5.986 -5.190 -2.308 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.393 -5.982 -2.255 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -4.616 -9.424 -4.615 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -6.169 -8.564 -4.740 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.649 -7.645 -4.624 1.00 0.00 H new ATOM 186 N SER A 12 -8.358 -6.588 -0.131 1.00 0.00 N ATOM 187 CA SER A 12 -9.337 -5.612 0.331 1.00 0.00 C ATOM 188 C SER A 12 -8.998 -5.125 1.737 1.00 0.00 C ATOM 189 O SER A 12 -9.098 -3.934 2.033 1.00 0.00 O ATOM 190 CB SER A 12 -10.742 -6.218 0.313 1.00 0.00 C ATOM 191 OG SER A 12 -10.931 -7.099 1.407 1.00 0.00 O ATOM 0 H SER A 12 -8.753 -7.493 -0.388 1.00 0.00 H new ATOM 0 HA SER A 12 -9.309 -4.759 -0.346 1.00 0.00 H new ATOM 0 HB2 SER A 12 -11.485 -5.422 0.350 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.898 -6.756 -0.622 1.00 0.00 H new ATOM 0 HG SER A 12 -10.172 -7.717 1.465 1.00 0.00 H new ATOM 197 N ALA A 13 -8.595 -6.053 2.597 1.00 0.00 N ATOM 198 CA ALA A 13 -8.238 -5.716 3.970 1.00 0.00 C ATOM 199 C ALA A 13 -7.080 -4.724 4.003 1.00 0.00 C ATOM 200 O ALA A 13 -7.128 -3.722 4.716 1.00 0.00 O ATOM 201 CB ALA A 13 -7.881 -6.974 4.747 1.00 0.00 C ATOM 0 H ALA A 13 -8.507 -7.043 2.368 1.00 0.00 H new ATOM 0 HA ALA A 13 -9.101 -5.246 4.441 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.617 -6.707 5.770 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -8.736 -7.650 4.758 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -7.034 -7.468 4.271 1.00 0.00 H new ATOM 207 N GLY A 14 -6.042 -5.010 3.225 1.00 0.00 N ATOM 208 CA GLY A 14 -4.888 -4.134 3.176 1.00 0.00 C ATOM 209 C GLY A 14 -5.199 -2.801 2.524 1.00 0.00 C ATOM 210 O GLY A 14 -4.649 -1.771 2.911 1.00 0.00 O ATOM 0 H GLY A 14 -5.980 -5.834 2.627 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.522 -3.963 4.188 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.086 -4.626 2.626 1.00 0.00 H new ATOM 214 N LEU A 15 -6.085 -2.824 1.533 1.00 0.00 N ATOM 215 CA LEU A 15 -6.470 -1.608 0.824 1.00 0.00 C ATOM 216 C LEU A 15 -7.032 -0.567 1.787 1.00 0.00 C ATOM 217 O LEU A 15 -6.653 0.602 1.744 1.00 0.00 O ATOM 218 CB LEU A 15 -7.501 -1.934 -0.260 1.00 0.00 C ATOM 219 CG LEU A 15 -7.124 -1.476 -1.670 1.00 0.00 C ATOM 220 CD1 LEU A 15 -8.207 -1.865 -2.665 1.00 0.00 C ATOM 221 CD2 LEU A 15 -6.887 0.026 -1.697 1.00 0.00 C ATOM 0 H LEU A 15 -6.549 -3.670 1.203 1.00 0.00 H new ATOM 0 HA LEU A 15 -5.579 -1.191 0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.661 -3.012 -0.275 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.451 -1.474 0.013 1.00 0.00 H new ATOM 0 HG LEU A 15 -6.199 -1.975 -1.958 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.922 -1.531 -3.663 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.328 -2.948 -2.666 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.148 -1.395 -2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.620 0.334 -2.708 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.795 0.543 -1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.076 0.279 -1.014 1.00 0.00 H new ATOM 233 N LYS A 16 -7.938 -1.002 2.658 1.00 0.00 N ATOM 234 CA LYS A 16 -8.552 -0.108 3.632 1.00 0.00 C ATOM 235 C LYS A 16 -7.528 0.363 4.660 1.00 0.00 C ATOM 236 O LYS A 16 -7.589 1.495 5.138 1.00 0.00 O ATOM 237 CB LYS A 16 -9.715 -0.808 4.337 1.00 0.00 C ATOM 238 CG LYS A 16 -9.314 -2.091 5.044 1.00 0.00 C ATOM 239 CD LYS A 16 -10.378 -2.537 6.034 1.00 0.00 C ATOM 240 CE LYS A 16 -10.049 -2.085 7.447 1.00 0.00 C ATOM 241 NZ LYS A 16 -10.616 -3.004 8.472 1.00 0.00 N ATOM 0 H LYS A 16 -8.262 -1.968 2.708 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.932 0.763 3.099 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -10.153 -0.124 5.064 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.490 -1.034 3.605 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.148 -2.877 4.307 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.370 -1.940 5.567 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -11.345 -2.132 5.737 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.467 -3.623 6.010 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.967 -2.030 7.568 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.439 -1.080 7.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.369 -2.660 9.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.651 -3.037 8.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -10.225 -3.958 8.337 1.00 0.00 H new ATOM 255 N GLU A 17 -6.589 -0.516 4.997 1.00 0.00 N ATOM 256 CA GLU A 17 -5.553 -0.190 5.969 1.00 0.00 C ATOM 257 C GLU A 17 -4.717 0.995 5.499 1.00 0.00 C ATOM 258 O GLU A 17 -4.284 1.821 6.303 1.00 0.00 O ATOM 259 CB GLU A 17 -4.650 -1.402 6.207 1.00 0.00 C ATOM 260 CG GLU A 17 -5.223 -2.402 7.199 1.00 0.00 C ATOM 261 CD GLU A 17 -4.163 -3.311 7.789 1.00 0.00 C ATOM 262 OE1 GLU A 17 -3.880 -4.365 7.182 1.00 0.00 O ATOM 263 OE2 GLU A 17 -3.614 -2.967 8.857 1.00 0.00 O ATOM 0 H GLU A 17 -6.525 -1.458 4.611 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.041 0.082 6.905 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -4.474 -1.906 5.257 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -3.681 -1.058 6.569 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -5.724 -1.864 8.004 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.980 -3.008 6.702 1.00 0.00 H new ATOM 270 N PHE A 18 -4.494 1.075 4.190 1.00 0.00 N ATOM 271 CA PHE A 18 -3.711 2.160 3.613 1.00 0.00 C ATOM 272 C PHE A 18 -4.497 3.468 3.631 1.00 0.00 C ATOM 273 O PHE A 18 -3.937 4.536 3.876 1.00 0.00 O ATOM 274 CB PHE A 18 -3.303 1.816 2.179 1.00 0.00 C ATOM 275 CG PHE A 18 -1.903 2.238 1.837 1.00 0.00 C ATOM 276 CD1 PHE A 18 -0.825 1.419 2.137 1.00 0.00 C ATOM 277 CD2 PHE A 18 -1.664 3.452 1.214 1.00 0.00 C ATOM 278 CE1 PHE A 18 0.464 1.805 1.822 1.00 0.00 C ATOM 279 CE2 PHE A 18 -0.376 3.844 0.897 1.00 0.00 C ATOM 280 CZ PHE A 18 0.688 3.019 1.203 1.00 0.00 C ATOM 0 H PHE A 18 -4.845 0.401 3.510 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.813 2.288 4.218 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.396 0.740 2.031 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.997 2.294 1.488 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -0.995 0.469 2.622 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.493 4.100 0.973 1.00 0.00 H new ATOM 0 HE1 PHE A 18 1.295 1.158 2.060 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.203 4.793 0.411 1.00 0.00 H new ATOM 0 HZ PHE A 18 1.695 3.323 0.958 1.00 0.00 H new ATOM 290 N SER A 19 -5.795 3.375 3.368 1.00 0.00 N ATOM 291 CA SER A 19 -6.658 4.550 3.353 1.00 0.00 C ATOM 292 C SER A 19 -6.771 5.162 4.747 1.00 0.00 C ATOM 293 O SER A 19 -6.569 6.363 4.926 1.00 0.00 O ATOM 294 CB SER A 19 -8.048 4.183 2.831 1.00 0.00 C ATOM 295 OG SER A 19 -8.051 4.074 1.418 1.00 0.00 O ATOM 0 H SER A 19 -6.273 2.498 3.162 1.00 0.00 H new ATOM 0 HA SER A 19 -6.211 5.288 2.687 1.00 0.00 H new ATOM 0 HB2 SER A 19 -8.368 3.239 3.272 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.768 4.940 3.142 1.00 0.00 H new ATOM 0 HG SER A 19 -8.951 3.837 1.110 1.00 0.00 H new ATOM 301 N VAL A 20 -7.095 4.328 5.728 1.00 0.00 N ATOM 302 CA VAL A 20 -7.236 4.787 7.106 1.00 0.00 C ATOM 303 C VAL A 20 -5.919 5.349 7.631 1.00 0.00 C ATOM 304 O VAL A 20 -5.886 6.415 8.245 1.00 0.00 O ATOM 305 CB VAL A 20 -7.712 3.647 8.030 1.00 0.00 C ATOM 306 CG1 VAL A 20 -6.622 2.602 8.226 1.00 0.00 C ATOM 307 CG2 VAL A 20 -8.175 4.204 9.368 1.00 0.00 C ATOM 0 H VAL A 20 -7.265 3.331 5.596 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.987 5.577 7.107 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.558 3.155 7.549 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -6.989 1.812 8.882 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.350 2.175 7.261 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -5.746 3.070 8.676 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -8.507 3.386 10.007 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.349 4.728 9.849 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -9.001 4.897 9.207 1.00 0.00 H new ATOM 317 N LEU A 21 -4.839 4.619 7.384 1.00 0.00 N ATOM 318 CA LEU A 21 -3.513 5.035 7.828 1.00 0.00 C ATOM 319 C LEU A 21 -3.159 6.412 7.275 1.00 0.00 C ATOM 320 O LEU A 21 -2.507 7.213 7.946 1.00 0.00 O ATOM 321 CB LEU A 21 -2.463 4.012 7.392 1.00 0.00 C ATOM 322 CG LEU A 21 -1.091 4.169 8.052 1.00 0.00 C ATOM 323 CD1 LEU A 21 -1.084 3.520 9.427 1.00 0.00 C ATOM 324 CD2 LEU A 21 -0.005 3.570 7.170 1.00 0.00 C ATOM 0 H LEU A 21 -4.854 3.734 6.878 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.524 5.094 8.916 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.841 3.012 7.608 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.339 4.080 6.311 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.886 5.232 8.175 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.101 3.641 9.882 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.836 3.995 10.057 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.310 2.458 9.329 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.964 3.690 7.654 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.205 2.510 7.016 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.005 4.081 6.207 1.00 0.00 H new ATOM 336 N LEU A 22 -3.592 6.681 6.048 1.00 0.00 N ATOM 337 CA LEU A 22 -3.321 7.962 5.405 1.00 0.00 C ATOM 338 C LEU A 22 -4.061 9.093 6.111 1.00 0.00 C ATOM 339 O LEU A 22 -3.520 10.185 6.290 1.00 0.00 O ATOM 340 CB LEU A 22 -3.729 7.912 3.932 1.00 0.00 C ATOM 341 CG LEU A 22 -2.800 7.097 3.030 1.00 0.00 C ATOM 342 CD1 LEU A 22 -3.533 6.648 1.775 1.00 0.00 C ATOM 343 CD2 LEU A 22 -1.566 7.908 2.666 1.00 0.00 C ATOM 0 H LEU A 22 -4.132 6.029 5.479 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.250 8.155 5.473 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.734 7.496 3.863 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.779 8.932 3.550 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.480 6.210 3.577 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.856 6.070 1.146 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.387 6.030 2.054 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.882 7.522 1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.916 7.313 2.024 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.868 8.813 2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.028 8.180 3.574 1.00 0.00 H new ATOM 355 N ASN A 23 -5.299 8.826 6.511 1.00 0.00 N ATOM 356 CA ASN A 23 -6.113 9.822 7.199 1.00 0.00 C ATOM 357 C ASN A 23 -5.493 10.201 8.541 1.00 0.00 C ATOM 358 O ASN A 23 -5.671 11.319 9.024 1.00 0.00 O ATOM 359 CB ASN A 23 -7.532 9.293 7.412 1.00 0.00 C ATOM 360 CG ASN A 23 -8.420 9.521 6.204 1.00 0.00 C ATOM 361 OD1 ASN A 23 -8.134 9.041 5.108 1.00 0.00 O ATOM 362 ND2 ASN A 23 -9.507 10.260 6.400 1.00 0.00 N ATOM 0 H ASN A 23 -5.761 7.928 6.371 1.00 0.00 H new ATOM 0 HA ASN A 23 -6.155 10.714 6.574 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -7.490 8.226 7.633 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.973 9.782 8.281 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.142 10.448 5.625 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -9.706 10.639 7.326 1.00 0.00 H new ATOM 369 N GLN A 24 -4.766 9.263 9.140 1.00 0.00 N ATOM 370 CA GLN A 24 -4.122 9.499 10.426 1.00 0.00 C ATOM 371 C GLN A 24 -3.101 10.630 10.328 1.00 0.00 C ATOM 372 O GLN A 24 -2.798 11.292 11.321 1.00 0.00 O ATOM 373 CB GLN A 24 -3.439 8.223 10.921 1.00 0.00 C ATOM 374 CG GLN A 24 -4.363 7.303 11.702 1.00 0.00 C ATOM 375 CD GLN A 24 -3.729 5.961 12.007 1.00 0.00 C ATOM 376 OE1 GLN A 24 -3.922 4.988 11.278 1.00 0.00 O ATOM 377 NE2 GLN A 24 -2.963 5.901 13.091 1.00 0.00 N ATOM 0 H GLN A 24 -4.608 8.332 8.754 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.893 9.791 11.139 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.038 7.680 10.065 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -2.593 8.495 11.552 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.647 7.787 12.636 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.279 7.147 11.133 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -2.830 6.732 13.668 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -2.508 5.024 13.346 1.00 0.00 H new ATOM 386 N GLN A 25 -2.572 10.847 9.127 1.00 0.00 N ATOM 387 CA GLN A 25 -1.585 11.898 8.903 1.00 0.00 C ATOM 388 C GLN A 25 -2.121 13.256 9.347 1.00 0.00 C ATOM 389 O GLN A 25 -3.235 13.641 8.992 1.00 0.00 O ATOM 390 CB GLN A 25 -1.190 11.950 7.426 1.00 0.00 C ATOM 391 CG GLN A 25 -0.181 10.887 7.026 1.00 0.00 C ATOM 392 CD GLN A 25 1.225 11.214 7.491 1.00 0.00 C ATOM 393 OE1 GLN A 25 1.820 12.202 7.060 1.00 0.00 O ATOM 394 NE2 GLN A 25 1.765 10.384 8.375 1.00 0.00 N ATOM 0 H GLN A 25 -2.811 10.309 8.294 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.703 11.665 9.500 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.086 11.836 6.815 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -0.776 12.933 7.204 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.484 9.927 7.445 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.185 10.777 5.942 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.236 9.577 8.706 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.709 10.553 8.723 1.00 0.00 H new ATOM 403 N VAL A 26 -1.321 13.976 10.125 1.00 0.00 N ATOM 404 CA VAL A 26 -1.714 15.290 10.619 1.00 0.00 C ATOM 405 C VAL A 26 -1.540 16.356 9.541 1.00 0.00 C ATOM 406 O VAL A 26 -2.270 17.348 9.513 1.00 0.00 O ATOM 407 CB VAL A 26 -0.895 15.693 11.861 1.00 0.00 C ATOM 408 CG1 VAL A 26 -1.431 16.984 12.461 1.00 0.00 C ATOM 409 CG2 VAL A 26 -0.900 14.575 12.893 1.00 0.00 C ATOM 0 H VAL A 26 -0.396 13.672 10.427 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.766 15.223 10.894 1.00 0.00 H new ATOM 0 HB VAL A 26 0.136 15.864 11.551 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.839 17.251 13.337 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -1.367 17.783 11.722 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -2.471 16.844 12.755 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.316 14.879 13.762 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -1.925 14.367 13.199 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.462 13.677 12.458 1.00 0.00 H new ATOM 419 N PHE A 27 -0.572 16.146 8.656 1.00 0.00 N ATOM 420 CA PHE A 27 -0.302 17.089 7.577 1.00 0.00 C ATOM 421 C PHE A 27 0.148 18.437 8.132 1.00 0.00 C ATOM 422 O PHE A 27 0.334 18.588 9.340 1.00 0.00 O ATOM 423 CB PHE A 27 -1.549 17.271 6.706 1.00 0.00 C ATOM 424 CG PHE A 27 -1.562 16.392 5.488 1.00 0.00 C ATOM 425 CD1 PHE A 27 -0.444 16.296 4.675 1.00 0.00 C ATOM 426 CD2 PHE A 27 -2.693 15.663 5.157 1.00 0.00 C ATOM 427 CE1 PHE A 27 -0.455 15.488 3.553 1.00 0.00 C ATOM 428 CE2 PHE A 27 -2.709 14.854 4.036 1.00 0.00 C ATOM 429 CZ PHE A 27 -1.588 14.767 3.234 1.00 0.00 C ATOM 0 H PHE A 27 0.040 15.330 8.665 1.00 0.00 H new ATOM 0 HA PHE A 27 0.503 16.682 6.965 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.435 17.061 7.305 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.615 18.313 6.393 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.445 16.858 4.920 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.572 15.728 5.782 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.422 15.421 2.927 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.597 14.291 3.788 1.00 0.00 H new ATOM 0 HZ PHE A 27 -1.598 14.135 2.358 1.00 0.00 H new ATOM 439 N ASN A 28 0.322 19.411 7.241 1.00 0.00 N ATOM 440 CA ASN A 28 0.752 20.755 7.631 1.00 0.00 C ATOM 441 C ASN A 28 1.895 20.701 8.641 1.00 0.00 C ATOM 442 O ASN A 28 2.014 21.568 9.507 1.00 0.00 O ATOM 443 CB ASN A 28 -0.425 21.545 8.210 1.00 0.00 C ATOM 444 CG ASN A 28 -0.939 20.962 9.512 1.00 0.00 C ATOM 445 OD1 ASN A 28 -1.778 20.063 9.514 1.00 0.00 O ATOM 446 ND2 ASN A 28 -0.435 21.474 10.628 1.00 0.00 N ATOM 0 H ASN A 28 0.171 19.295 6.239 1.00 0.00 H new ATOM 0 HA ASN A 28 1.115 21.261 6.736 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -0.117 22.578 8.376 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.236 21.567 7.482 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.742 21.122 11.535 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.260 22.219 10.579 1.00 0.00 H new ATOM 453 N ASP A 29 2.734 19.676 8.524 1.00 0.00 N ATOM 454 CA ASP A 29 3.868 19.509 9.424 1.00 0.00 C ATOM 455 C ASP A 29 5.005 18.778 8.759 1.00 0.00 C ATOM 456 O ASP A 29 5.606 17.881 9.352 1.00 0.00 O ATOM 457 CB ASP A 29 3.438 18.777 10.698 1.00 0.00 C ATOM 458 CG ASP A 29 4.384 19.027 11.856 1.00 0.00 C ATOM 459 OD1 ASP A 29 5.581 18.693 11.727 1.00 0.00 O ATOM 460 OD2 ASP A 29 3.929 19.556 12.891 1.00 0.00 O ATOM 0 H ASP A 29 2.649 18.949 7.814 1.00 0.00 H new ATOM 0 HA ASP A 29 4.225 20.504 9.690 1.00 0.00 H new ATOM 0 HB2 ASP A 29 2.434 19.098 10.977 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.387 17.707 10.499 1.00 0.00 H new ATOM 465 N PRO A 30 5.365 19.172 7.530 1.00 0.00 N ATOM 466 CA PRO A 30 6.477 18.548 6.865 1.00 0.00 C ATOM 467 C PRO A 30 7.780 19.137 7.372 1.00 0.00 C ATOM 468 O PRO A 30 8.025 20.339 7.263 1.00 0.00 O ATOM 469 CB PRO A 30 6.248 18.916 5.402 1.00 0.00 C ATOM 470 CG PRO A 30 5.570 20.245 5.455 1.00 0.00 C ATOM 471 CD PRO A 30 4.767 20.260 6.732 1.00 0.00 C ATOM 0 HA PRO A 30 6.542 17.472 7.029 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.189 18.971 4.854 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.629 18.174 4.898 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.300 21.054 5.445 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.925 20.387 4.588 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.843 21.220 7.242 1.00 0.00 H new ATOM 0 HD3 PRO A 30 3.708 20.083 6.542 1.00 0.00 H new ATOM 479 N LEU A 31 8.601 18.276 7.923 1.00 0.00 N ATOM 480 CA LEU A 31 9.896 18.672 8.462 1.00 0.00 C ATOM 481 C LEU A 31 11.030 17.948 7.742 1.00 0.00 C ATOM 482 O LEU A 31 12.078 18.532 7.465 1.00 0.00 O ATOM 483 CB LEU A 31 9.959 18.378 9.962 1.00 0.00 C ATOM 484 CG LEU A 31 10.736 19.402 10.791 1.00 0.00 C ATOM 485 CD1 LEU A 31 12.193 19.447 10.354 1.00 0.00 C ATOM 486 CD2 LEU A 31 10.099 20.779 10.670 1.00 0.00 C ATOM 0 H LEU A 31 8.398 17.281 8.014 1.00 0.00 H new ATOM 0 HA LEU A 31 10.015 19.744 8.303 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.941 18.318 10.348 1.00 0.00 H new ATOM 0 HB3 LEU A 31 10.413 17.397 10.106 1.00 0.00 H new ATOM 0 HG LEU A 31 10.700 19.097 11.837 1.00 0.00 H new ATOM 0 HD11 LEU A 31 12.730 20.181 10.955 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.645 18.465 10.492 1.00 0.00 H new ATOM 0 HD13 LEU A 31 12.249 19.728 9.302 1.00 0.00 H new ATOM 0 HD21 LEU A 31 10.665 21.495 11.266 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.104 21.092 9.626 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.071 20.738 11.031 1.00 0.00 H new ATOM 498 N VAL A 32 10.812 16.672 7.440 1.00 0.00 N ATOM 499 CA VAL A 32 11.814 15.867 6.752 1.00 0.00 C ATOM 500 C VAL A 32 11.806 16.147 5.253 1.00 0.00 C ATOM 501 O VAL A 32 10.825 16.657 4.712 1.00 0.00 O ATOM 502 CB VAL A 32 11.583 14.361 6.983 1.00 0.00 C ATOM 503 CG1 VAL A 32 12.773 13.555 6.487 1.00 0.00 C ATOM 504 CG2 VAL A 32 11.317 14.081 8.455 1.00 0.00 C ATOM 0 H VAL A 32 9.950 16.174 7.661 1.00 0.00 H new ATOM 0 HA VAL A 32 12.783 16.145 7.167 1.00 0.00 H new ATOM 0 HB VAL A 32 10.705 14.056 6.414 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.591 12.494 6.659 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.913 13.731 5.420 1.00 0.00 H new ATOM 0 HG13 VAL A 32 13.670 13.861 7.026 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.156 13.013 8.599 1.00 0.00 H new ATOM 0 HG22 VAL A 32 12.174 14.402 9.047 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.430 14.628 8.775 1.00 0.00 H new ATOM 514 N SER A 33 12.906 15.809 4.586 1.00 0.00 N ATOM 515 CA SER A 33 13.025 16.024 3.148 1.00 0.00 C ATOM 516 C SER A 33 11.922 15.289 2.393 1.00 0.00 C ATOM 517 O SER A 33 11.352 14.319 2.894 1.00 0.00 O ATOM 518 CB SER A 33 14.395 15.557 2.654 1.00 0.00 C ATOM 519 OG SER A 33 14.675 16.072 1.364 1.00 0.00 O ATOM 0 H SER A 33 13.727 15.385 5.018 1.00 0.00 H new ATOM 0 HA SER A 33 12.921 17.092 2.956 1.00 0.00 H new ATOM 0 HB2 SER A 33 15.166 15.880 3.353 1.00 0.00 H new ATOM 0 HB3 SER A 33 14.424 14.468 2.628 1.00 0.00 H new ATOM 0 HG SER A 33 15.557 15.760 1.072 1.00 0.00 H new ATOM 525 N GLU A 34 11.625 15.758 1.185 1.00 0.00 N ATOM 526 CA GLU A 34 10.590 15.146 0.361 1.00 0.00 C ATOM 527 C GLU A 34 11.021 13.763 -0.118 1.00 0.00 C ATOM 528 O GLU A 34 10.193 12.870 -0.296 1.00 0.00 O ATOM 529 CB GLU A 34 10.270 16.037 -0.841 1.00 0.00 C ATOM 530 CG GLU A 34 11.489 16.394 -1.675 1.00 0.00 C ATOM 531 CD GLU A 34 12.049 17.761 -1.336 1.00 0.00 C ATOM 532 OE1 GLU A 34 11.287 18.749 -1.410 1.00 0.00 O ATOM 533 OE2 GLU A 34 13.248 17.845 -0.997 1.00 0.00 O ATOM 0 H GLU A 34 12.087 16.560 0.756 1.00 0.00 H new ATOM 0 HA GLU A 34 9.694 15.037 0.972 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.542 15.530 -1.475 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.800 16.955 -0.487 1.00 0.00 H new ATOM 0 HG2 GLU A 34 12.262 15.641 -1.522 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.222 16.367 -2.731 1.00 0.00 H new ATOM 540 N GLU A 35 12.324 13.593 -0.323 1.00 0.00 N ATOM 541 CA GLU A 35 12.865 12.318 -0.780 1.00 0.00 C ATOM 542 C GLU A 35 12.621 11.223 0.253 1.00 0.00 C ATOM 543 O GLU A 35 12.404 10.063 -0.096 1.00 0.00 O ATOM 544 CB GLU A 35 14.363 12.447 -1.060 1.00 0.00 C ATOM 545 CG GLU A 35 14.880 11.441 -2.075 1.00 0.00 C ATOM 546 CD GLU A 35 16.315 11.712 -2.485 1.00 0.00 C ATOM 547 OE1 GLU A 35 17.199 11.683 -1.605 1.00 0.00 O ATOM 548 OE2 GLU A 35 16.553 11.953 -3.688 1.00 0.00 O ATOM 0 H GLU A 35 13.024 14.321 -0.180 1.00 0.00 H new ATOM 0 HA GLU A 35 12.353 12.043 -1.702 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.572 13.454 -1.420 1.00 0.00 H new ATOM 0 HB3 GLU A 35 14.911 12.323 -0.126 1.00 0.00 H new ATOM 0 HG2 GLU A 35 14.809 10.438 -1.655 1.00 0.00 H new ATOM 0 HG3 GLU A 35 14.243 11.462 -2.959 1.00 0.00 H new ATOM 555 N ASP A 36 12.657 11.601 1.527 1.00 0.00 N ATOM 556 CA ASP A 36 12.439 10.653 2.613 1.00 0.00 C ATOM 557 C ASP A 36 11.019 10.106 2.587 1.00 0.00 C ATOM 558 O ASP A 36 10.755 8.999 3.056 1.00 0.00 O ATOM 559 CB ASP A 36 12.724 11.313 3.964 1.00 0.00 C ATOM 560 CG ASP A 36 14.151 11.094 4.425 1.00 0.00 C ATOM 561 OD1 ASP A 36 15.060 11.094 3.567 1.00 0.00 O ATOM 562 OD2 ASP A 36 14.361 10.920 5.644 1.00 0.00 O ATOM 0 H ASP A 36 12.835 12.558 1.832 1.00 0.00 H new ATOM 0 HA ASP A 36 13.128 9.820 2.474 1.00 0.00 H new ATOM 0 HB2 ASP A 36 12.529 12.383 3.891 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.038 10.914 4.712 1.00 0.00 H new ATOM 567 N MET A 37 10.113 10.893 2.034 1.00 0.00 N ATOM 568 CA MET A 37 8.711 10.503 1.938 1.00 0.00 C ATOM 569 C MET A 37 8.527 9.377 0.927 1.00 0.00 C ATOM 570 O MET A 37 7.625 8.550 1.061 1.00 0.00 O ATOM 571 CB MET A 37 7.852 11.705 1.541 1.00 0.00 C ATOM 572 CG MET A 37 6.481 11.717 2.197 1.00 0.00 C ATOM 573 SD MET A 37 6.556 12.108 3.955 1.00 0.00 S ATOM 574 CE MET A 37 7.286 13.742 3.909 1.00 0.00 C ATOM 0 H MET A 37 10.321 11.811 1.642 1.00 0.00 H new ATOM 0 HA MET A 37 8.392 10.144 2.917 1.00 0.00 H new ATOM 0 HB2 MET A 37 8.380 12.621 1.805 1.00 0.00 H new ATOM 0 HB3 MET A 37 7.727 11.710 0.458 1.00 0.00 H new ATOM 0 HG2 MET A 37 5.848 12.447 1.693 1.00 0.00 H new ATOM 0 HG3 MET A 37 6.011 10.742 2.065 1.00 0.00 H new ATOM 0 HE1 MET A 37 6.906 14.334 4.742 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.370 13.659 3.988 1.00 0.00 H new ATOM 0 HE3 MET A 37 7.027 14.230 2.969 1.00 0.00 H new ATOM 584 N VAL A 38 9.385 9.349 -0.087 1.00 0.00 N ATOM 585 CA VAL A 38 9.314 8.323 -1.120 1.00 0.00 C ATOM 586 C VAL A 38 9.814 6.979 -0.599 1.00 0.00 C ATOM 587 O VAL A 38 9.207 5.939 -0.855 1.00 0.00 O ATOM 588 CB VAL A 38 10.138 8.717 -2.360 1.00 0.00 C ATOM 589 CG1 VAL A 38 9.893 7.739 -3.499 1.00 0.00 C ATOM 590 CG2 VAL A 38 9.809 10.140 -2.789 1.00 0.00 C ATOM 0 H VAL A 38 10.138 10.025 -0.215 1.00 0.00 H new ATOM 0 HA VAL A 38 8.265 8.232 -1.402 1.00 0.00 H new ATOM 0 HB VAL A 38 11.195 8.675 -2.099 1.00 0.00 H new ATOM 0 HG11 VAL A 38 10.484 8.035 -4.366 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.184 6.736 -3.186 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.835 7.745 -3.762 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.400 10.401 -3.666 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.749 10.211 -3.032 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.042 10.828 -1.976 1.00 0.00 H new ATOM 600 N THR A 39 10.926 7.008 0.128 1.00 0.00 N ATOM 601 CA THR A 39 11.512 5.792 0.681 1.00 0.00 C ATOM 602 C THR A 39 10.633 5.202 1.781 1.00 0.00 C ATOM 603 O THR A 39 10.366 4.001 1.796 1.00 0.00 O ATOM 604 CB THR A 39 12.910 6.080 1.229 1.00 0.00 C ATOM 605 OG1 THR A 39 13.493 4.903 1.759 1.00 0.00 O ATOM 606 CG2 THR A 39 12.921 7.128 2.321 1.00 0.00 C ATOM 0 H THR A 39 11.440 7.861 0.348 1.00 0.00 H new ATOM 0 HA THR A 39 11.585 5.061 -0.124 1.00 0.00 H new ATOM 0 HB THR A 39 13.481 6.457 0.380 1.00 0.00 H new ATOM 0 HG1 THR A 39 14.388 5.107 2.103 1.00 0.00 H new ATOM 0 HG21 THR A 39 13.943 7.284 2.665 1.00 0.00 H new ATOM 0 HG22 THR A 39 12.523 8.064 1.931 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.305 6.791 3.155 1.00 0.00 H new ATOM 614 N VAL A 40 10.193 6.052 2.704 1.00 0.00 N ATOM 615 CA VAL A 40 9.350 5.608 3.810 1.00 0.00 C ATOM 616 C VAL A 40 8.093 4.909 3.304 1.00 0.00 C ATOM 617 O VAL A 40 7.732 3.832 3.779 1.00 0.00 O ATOM 618 CB VAL A 40 8.959 6.788 4.729 1.00 0.00 C ATOM 619 CG1 VAL A 40 7.870 7.649 4.102 1.00 0.00 C ATOM 620 CG2 VAL A 40 8.525 6.279 6.095 1.00 0.00 C ATOM 0 H VAL A 40 10.405 7.050 2.709 1.00 0.00 H new ATOM 0 HA VAL A 40 9.936 4.895 4.390 1.00 0.00 H new ATOM 0 HB VAL A 40 9.840 7.416 4.856 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.621 8.468 4.776 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.227 8.054 3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.982 7.042 3.926 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.253 7.123 6.729 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.665 5.619 5.981 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.345 5.729 6.556 1.00 0.00 H new ATOM 630 N VAL A 41 7.432 5.530 2.334 1.00 0.00 N ATOM 631 CA VAL A 41 6.215 4.969 1.758 1.00 0.00 C ATOM 632 C VAL A 41 6.521 3.704 0.963 1.00 0.00 C ATOM 633 O VAL A 41 5.708 2.780 0.910 1.00 0.00 O ATOM 634 CB VAL A 41 5.505 5.984 0.842 1.00 0.00 C ATOM 635 CG1 VAL A 41 4.195 5.413 0.320 1.00 0.00 C ATOM 636 CG2 VAL A 41 5.265 7.293 1.580 1.00 0.00 C ATOM 0 H VAL A 41 7.718 6.422 1.930 1.00 0.00 H new ATOM 0 HA VAL A 41 5.554 4.722 2.589 1.00 0.00 H new ATOM 0 HB VAL A 41 6.152 6.186 -0.012 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.710 6.146 -0.325 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.395 4.505 -0.249 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.540 5.178 1.159 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.763 7.998 0.917 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.640 7.109 2.454 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.220 7.712 1.898 1.00 0.00 H new ATOM 646 N GLU A 42 7.697 3.668 0.346 1.00 0.00 N ATOM 647 CA GLU A 42 8.110 2.515 -0.446 1.00 0.00 C ATOM 648 C GLU A 42 8.416 1.321 0.453 1.00 0.00 C ATOM 649 O GLU A 42 8.112 0.179 0.110 1.00 0.00 O ATOM 650 CB GLU A 42 9.337 2.863 -1.290 1.00 0.00 C ATOM 651 CG GLU A 42 8.996 3.464 -2.643 1.00 0.00 C ATOM 652 CD GLU A 42 9.031 2.442 -3.761 1.00 0.00 C ATOM 653 OE1 GLU A 42 10.144 2.038 -4.161 1.00 0.00 O ATOM 654 OE2 GLU A 42 7.947 2.047 -4.238 1.00 0.00 O ATOM 0 H GLU A 42 8.381 4.424 0.379 1.00 0.00 H new ATOM 0 HA GLU A 42 7.288 2.246 -1.109 1.00 0.00 H new ATOM 0 HB2 GLU A 42 9.960 3.566 -0.737 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.930 1.961 -1.442 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.004 3.913 -2.597 1.00 0.00 H new ATOM 0 HG3 GLU A 42 9.699 4.266 -2.867 1.00 0.00 H new ATOM 661 N ASP A 43 9.019 1.595 1.605 1.00 0.00 N ATOM 662 CA ASP A 43 9.367 0.544 2.554 1.00 0.00 C ATOM 663 C ASP A 43 8.150 0.129 3.377 1.00 0.00 C ATOM 664 O ASP A 43 8.049 -1.014 3.820 1.00 0.00 O ATOM 665 CB ASP A 43 10.487 1.016 3.483 1.00 0.00 C ATOM 666 CG ASP A 43 11.378 -0.122 3.940 1.00 0.00 C ATOM 667 OD1 ASP A 43 10.990 -0.835 4.889 1.00 0.00 O ATOM 668 OD2 ASP A 43 12.463 -0.301 3.348 1.00 0.00 O ATOM 0 H ASP A 43 9.277 2.536 1.904 1.00 0.00 H new ATOM 0 HA ASP A 43 9.714 -0.321 1.988 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.092 1.763 2.968 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.051 1.504 4.354 1.00 0.00 H new ATOM 673 N TRP A 44 7.229 1.067 3.578 1.00 0.00 N ATOM 674 CA TRP A 44 6.019 0.799 4.347 1.00 0.00 C ATOM 675 C TRP A 44 5.218 -0.338 3.722 1.00 0.00 C ATOM 676 O TRP A 44 4.824 -1.283 4.406 1.00 0.00 O ATOM 677 CB TRP A 44 5.155 2.060 4.434 1.00 0.00 C ATOM 678 CG TRP A 44 5.411 2.874 5.666 1.00 0.00 C ATOM 679 CD1 TRP A 44 6.530 2.852 6.447 1.00 0.00 C ATOM 680 CD2 TRP A 44 4.526 3.830 6.260 1.00 0.00 C ATOM 681 NE1 TRP A 44 6.395 3.736 7.490 1.00 0.00 N ATOM 682 CE2 TRP A 44 5.173 4.349 7.397 1.00 0.00 C ATOM 683 CE3 TRP A 44 3.248 4.299 5.940 1.00 0.00 C ATOM 684 CZ2 TRP A 44 4.586 5.313 8.214 1.00 0.00 C ATOM 685 CZ3 TRP A 44 2.667 5.256 6.751 1.00 0.00 C ATOM 686 CH2 TRP A 44 3.336 5.754 7.877 1.00 0.00 C ATOM 0 H TRP A 44 7.298 2.019 3.219 1.00 0.00 H new ATOM 0 HA TRP A 44 6.316 0.500 5.352 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.338 2.678 3.555 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.104 1.773 4.409 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.395 2.230 6.271 1.00 0.00 H new ATOM 0 HE1 TRP A 44 7.091 3.908 8.215 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.724 3.920 5.075 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 5.100 5.698 9.082 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 1.681 5.626 6.513 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.855 6.501 8.491 1.00 0.00 H new ATOM 697 N MET A 45 4.981 -0.241 2.418 1.00 0.00 N ATOM 698 CA MET A 45 4.227 -1.262 1.700 1.00 0.00 C ATOM 699 C MET A 45 4.966 -2.597 1.718 1.00 0.00 C ATOM 700 O MET A 45 4.345 -3.660 1.757 1.00 0.00 O ATOM 701 CB MET A 45 3.982 -0.822 0.256 1.00 0.00 C ATOM 702 CG MET A 45 5.251 -0.448 -0.492 1.00 0.00 C ATOM 703 SD MET A 45 5.067 -0.571 -2.281 1.00 0.00 S ATOM 704 CE MET A 45 3.692 0.542 -2.556 1.00 0.00 C ATOM 0 H MET A 45 5.300 0.534 1.837 1.00 0.00 H new ATOM 0 HA MET A 45 3.268 -1.391 2.202 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.479 -1.627 -0.280 1.00 0.00 H new ATOM 0 HB3 MET A 45 3.305 0.032 0.256 1.00 0.00 H new ATOM 0 HG2 MET A 45 5.535 0.571 -0.229 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.063 -1.099 -0.169 1.00 0.00 H new ATOM 0 HE1 MET A 45 2.946 0.051 -3.182 1.00 0.00 H new ATOM 0 HE2 MET A 45 3.244 0.810 -1.599 1.00 0.00 H new ATOM 0 HE3 MET A 45 4.048 1.444 -3.055 1.00 0.00 H new ATOM 714 N ASN A 46 6.293 -2.534 1.690 1.00 0.00 N ATOM 715 CA ASN A 46 7.117 -3.738 1.702 1.00 0.00 C ATOM 716 C ASN A 46 6.827 -4.586 2.938 1.00 0.00 C ATOM 717 O ASN A 46 6.856 -5.815 2.880 1.00 0.00 O ATOM 718 CB ASN A 46 8.600 -3.366 1.663 1.00 0.00 C ATOM 719 CG ASN A 46 9.422 -4.354 0.860 1.00 0.00 C ATOM 720 OD1 ASN A 46 9.075 -5.531 0.759 1.00 0.00 O ATOM 721 ND2 ASN A 46 10.521 -3.881 0.285 1.00 0.00 N ATOM 0 H ASN A 46 6.821 -1.662 1.659 1.00 0.00 H new ATOM 0 HA ASN A 46 6.872 -4.324 0.816 1.00 0.00 H new ATOM 0 HB2 ASN A 46 8.711 -2.371 1.233 1.00 0.00 H new ATOM 0 HB3 ASN A 46 8.987 -3.318 2.681 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.115 -4.500 -0.266 1.00 0.00 H new ATOM 0 HD22 ASN A 46 10.771 -2.898 0.395 1.00 0.00 H new ATOM 728 N PHE A 47 6.546 -3.920 4.053 1.00 0.00 N ATOM 729 CA PHE A 47 6.250 -4.613 5.302 1.00 0.00 C ATOM 730 C PHE A 47 4.866 -5.250 5.256 1.00 0.00 C ATOM 731 O PHE A 47 4.668 -6.364 5.741 1.00 0.00 O ATOM 732 CB PHE A 47 6.339 -3.643 6.481 1.00 0.00 C ATOM 733 CG PHE A 47 6.930 -4.256 7.719 1.00 0.00 C ATOM 734 CD1 PHE A 47 6.264 -5.268 8.392 1.00 0.00 C ATOM 735 CD2 PHE A 47 8.150 -3.819 8.211 1.00 0.00 C ATOM 736 CE1 PHE A 47 6.804 -5.834 9.531 1.00 0.00 C ATOM 737 CE2 PHE A 47 8.695 -4.381 9.350 1.00 0.00 C ATOM 738 CZ PHE A 47 8.021 -5.389 10.011 1.00 0.00 C ATOM 0 H PHE A 47 6.517 -2.902 4.118 1.00 0.00 H new ATOM 0 HA PHE A 47 6.989 -5.403 5.434 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.941 -2.783 6.189 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.341 -3.270 6.711 1.00 0.00 H new ATOM 0 HD1 PHE A 47 5.312 -5.618 8.022 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.681 -3.030 7.698 1.00 0.00 H new ATOM 0 HE1 PHE A 47 6.276 -6.623 10.045 1.00 0.00 H new ATOM 0 HE2 PHE A 47 9.647 -4.032 9.723 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.444 -5.829 10.902 1.00 0.00 H new ATOM 748 N TYR A 48 3.910 -4.536 4.669 1.00 0.00 N ATOM 749 CA TYR A 48 2.543 -5.031 4.559 1.00 0.00 C ATOM 750 C TYR A 48 2.467 -6.213 3.597 1.00 0.00 C ATOM 751 O TYR A 48 1.800 -7.209 3.873 1.00 0.00 O ATOM 752 CB TYR A 48 1.610 -3.914 4.090 1.00 0.00 C ATOM 753 CG TYR A 48 1.410 -2.821 5.115 1.00 0.00 C ATOM 754 CD1 TYR A 48 0.632 -3.037 6.246 1.00 0.00 C ATOM 755 CD2 TYR A 48 2.000 -1.574 4.952 1.00 0.00 C ATOM 756 CE1 TYR A 48 0.446 -2.040 7.185 1.00 0.00 C ATOM 757 CE2 TYR A 48 1.820 -0.572 5.888 1.00 0.00 C ATOM 758 CZ TYR A 48 1.042 -0.810 7.002 1.00 0.00 C ATOM 759 OH TYR A 48 0.860 0.185 7.934 1.00 0.00 O ATOM 0 H TYR A 48 4.058 -3.612 4.262 1.00 0.00 H new ATOM 0 HA TYR A 48 2.225 -5.369 5.545 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.013 -3.475 3.177 1.00 0.00 H new ATOM 0 HB3 TYR A 48 0.641 -4.344 3.836 1.00 0.00 H new ATOM 0 HD1 TYR A 48 0.165 -4.000 6.394 1.00 0.00 H new ATOM 0 HD2 TYR A 48 2.609 -1.384 4.080 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -0.163 -2.223 8.058 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.286 0.392 5.748 1.00 0.00 H new ATOM 0 HH TYR A 48 1.348 0.988 7.655 1.00 0.00 H new ATOM 769 N ILE A 49 3.156 -6.094 2.466 1.00 0.00 N ATOM 770 CA ILE A 49 3.166 -7.152 1.463 1.00 0.00 C ATOM 771 C ILE A 49 3.800 -8.424 2.016 1.00 0.00 C ATOM 772 O ILE A 49 3.402 -9.533 1.659 1.00 0.00 O ATOM 773 CB ILE A 49 3.928 -6.719 0.194 1.00 0.00 C ATOM 774 CG1 ILE A 49 3.405 -5.372 -0.309 1.00 0.00 C ATOM 775 CG2 ILE A 49 3.802 -7.779 -0.891 1.00 0.00 C ATOM 776 CD1 ILE A 49 4.489 -4.470 -0.859 1.00 0.00 C ATOM 0 H ILE A 49 3.714 -5.276 2.222 1.00 0.00 H new ATOM 0 HA ILE A 49 2.127 -7.350 1.201 1.00 0.00 H new ATOM 0 HB ILE A 49 4.983 -6.608 0.445 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.661 -5.547 -1.086 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.898 -4.860 0.509 1.00 0.00 H new ATOM 0 HG21 ILE A 49 4.346 -7.457 -1.779 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.219 -8.719 -0.531 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.751 -7.921 -1.141 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.046 -3.533 -1.197 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.222 -4.264 -0.079 1.00 0.00 H new ATOM 0 HD13 ILE A 49 4.981 -4.962 -1.698 1.00 0.00 H new ATOM 788 N ASN A 50 4.786 -8.256 2.891 1.00 0.00 N ATOM 789 CA ASN A 50 5.473 -9.393 3.493 1.00 0.00 C ATOM 790 C ASN A 50 4.574 -10.100 4.502 1.00 0.00 C ATOM 791 O ASN A 50 4.503 -11.328 4.530 1.00 0.00 O ATOM 792 CB ASN A 50 6.763 -8.931 4.177 1.00 0.00 C ATOM 793 CG ASN A 50 7.903 -9.911 3.980 1.00 0.00 C ATOM 794 OD1 ASN A 50 7.903 -11.002 4.550 1.00 0.00 O ATOM 795 ND2 ASN A 50 8.883 -9.524 3.173 1.00 0.00 N ATOM 0 H ASN A 50 5.127 -7.345 3.199 1.00 0.00 H new ATOM 0 HA ASN A 50 5.722 -10.098 2.700 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.052 -7.957 3.782 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.579 -8.801 5.243 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.678 -10.140 3.004 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.841 -8.610 2.721 1.00 0.00 H new ATOM 802 N TYR A 51 3.889 -9.315 5.328 1.00 0.00 N ATOM 803 CA TYR A 51 2.993 -9.868 6.338 1.00 0.00 C ATOM 804 C TYR A 51 1.829 -10.608 5.687 1.00 0.00 C ATOM 805 O TYR A 51 1.359 -11.621 6.203 1.00 0.00 O ATOM 806 CB TYR A 51 2.463 -8.753 7.242 1.00 0.00 C ATOM 807 CG TYR A 51 2.359 -9.152 8.697 1.00 0.00 C ATOM 808 CD1 TYR A 51 3.477 -9.142 9.523 1.00 0.00 C ATOM 809 CD2 TYR A 51 1.143 -9.540 9.245 1.00 0.00 C ATOM 810 CE1 TYR A 51 3.386 -9.506 10.853 1.00 0.00 C ATOM 811 CE2 TYR A 51 1.043 -9.905 10.574 1.00 0.00 C ATOM 812 CZ TYR A 51 2.167 -9.887 11.373 1.00 0.00 C ATOM 813 OH TYR A 51 2.072 -10.250 12.697 1.00 0.00 O ATOM 0 H TYR A 51 3.937 -8.296 5.318 1.00 0.00 H new ATOM 0 HA TYR A 51 3.558 -10.579 6.941 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.118 -7.886 7.158 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.479 -8.445 6.887 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.433 -8.845 9.118 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.261 -9.557 8.622 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.264 -9.492 11.481 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.090 -10.203 10.985 1.00 0.00 H new ATOM 0 HH TYR A 51 1.145 -10.490 12.905 1.00 0.00 H new ATOM 823 N TYR A 52 1.368 -10.093 4.552 1.00 0.00 N ATOM 824 CA TYR A 52 0.258 -10.707 3.832 1.00 0.00 C ATOM 825 C TYR A 52 0.698 -12.000 3.151 1.00 0.00 C ATOM 826 O TYR A 52 -0.097 -12.923 2.979 1.00 0.00 O ATOM 827 CB TYR A 52 -0.301 -9.734 2.792 1.00 0.00 C ATOM 828 CG TYR A 52 -1.002 -8.539 3.396 1.00 0.00 C ATOM 829 CD1 TYR A 52 -1.893 -8.691 4.451 1.00 0.00 C ATOM 830 CD2 TYR A 52 -0.773 -7.257 2.912 1.00 0.00 C ATOM 831 CE1 TYR A 52 -2.536 -7.601 5.006 1.00 0.00 C ATOM 832 CE2 TYR A 52 -1.411 -6.161 3.462 1.00 0.00 C ATOM 833 CZ TYR A 52 -2.291 -6.339 4.508 1.00 0.00 C ATOM 834 OH TYR A 52 -2.930 -5.251 5.058 1.00 0.00 O ATOM 0 H TYR A 52 1.745 -9.254 4.112 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.523 -10.946 4.554 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.514 -9.384 2.159 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.000 -10.267 2.147 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.086 -9.678 4.844 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.085 -7.114 2.092 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -3.227 -7.737 5.825 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.221 -5.171 3.074 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.013 -5.376 6.026 1.00 0.00 H new ATOM 844 N ARG A 53 1.968 -12.056 2.762 1.00 0.00 N ATOM 845 CA ARG A 53 2.514 -13.234 2.097 1.00 0.00 C ATOM 846 C ARG A 53 2.568 -14.427 3.047 1.00 0.00 C ATOM 847 O ARG A 53 2.455 -15.576 2.621 1.00 0.00 O ATOM 848 CB ARG A 53 3.913 -12.936 1.556 1.00 0.00 C ATOM 849 CG ARG A 53 4.302 -13.798 0.367 1.00 0.00 C ATOM 850 CD ARG A 53 5.786 -14.128 0.377 1.00 0.00 C ATOM 851 NE ARG A 53 6.328 -14.255 -0.973 1.00 0.00 N ATOM 852 CZ ARG A 53 6.647 -13.218 -1.744 1.00 0.00 C ATOM 853 NH1 ARG A 53 6.478 -11.977 -1.304 1.00 0.00 N ATOM 854 NH2 ARG A 53 7.135 -13.422 -2.960 1.00 0.00 N ATOM 0 H ARG A 53 2.638 -11.299 2.896 1.00 0.00 H new ATOM 0 HA ARG A 53 1.854 -13.487 1.267 1.00 0.00 H new ATOM 0 HB2 ARG A 53 3.965 -11.887 1.266 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.641 -13.083 2.354 1.00 0.00 H new ATOM 0 HG2 ARG A 53 3.723 -14.722 0.381 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.050 -13.279 -0.558 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.327 -13.348 0.913 1.00 0.00 H new ATOM 0 HD3 ARG A 53 5.947 -15.059 0.921 1.00 0.00 H new ATOM 0 HE ARG A 53 6.470 -15.193 -1.347 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.102 -11.814 -0.370 1.00 0.00 H new ATOM 0 HH12 ARG A 53 6.724 -11.187 -1.900 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.266 -14.373 -3.304 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.380 -12.628 -3.551 1.00 0.00 H new ATOM 868 N GLN A 54 2.744 -14.149 4.335 1.00 0.00 N ATOM 869 CA GLN A 54 2.816 -15.200 5.340 1.00 0.00 C ATOM 870 C GLN A 54 1.429 -15.558 5.876 1.00 0.00 C ATOM 871 O GLN A 54 1.307 -16.312 6.841 1.00 0.00 O ATOM 872 CB GLN A 54 3.721 -14.761 6.491 1.00 0.00 C ATOM 873 CG GLN A 54 3.386 -13.386 7.043 1.00 0.00 C ATOM 874 CD GLN A 54 4.119 -13.083 8.336 1.00 0.00 C ATOM 875 OE1 GLN A 54 5.311 -12.776 8.330 1.00 0.00 O ATOM 876 NE2 GLN A 54 3.407 -13.168 9.454 1.00 0.00 N ATOM 0 H GLN A 54 2.839 -13.204 4.706 1.00 0.00 H new ATOM 0 HA GLN A 54 3.234 -16.088 4.866 1.00 0.00 H new ATOM 0 HB2 GLN A 54 3.650 -15.493 7.296 1.00 0.00 H new ATOM 0 HB3 GLN A 54 4.756 -14.763 6.148 1.00 0.00 H new ATOM 0 HG2 GLN A 54 3.638 -12.629 6.300 1.00 0.00 H new ATOM 0 HG3 GLN A 54 2.312 -13.319 7.214 1.00 0.00 H new ATOM 0 HE21 GLN A 54 2.421 -13.426 9.412 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.846 -12.975 10.354 1.00 0.00 H new ATOM 885 N GLN A 55 0.387 -15.017 5.250 1.00 0.00 N ATOM 886 CA GLN A 55 -0.982 -15.288 5.674 1.00 0.00 C ATOM 887 C GLN A 55 -1.888 -15.527 4.470 1.00 0.00 C ATOM 888 O GLN A 55 -3.019 -15.044 4.423 1.00 0.00 O ATOM 889 CB GLN A 55 -1.518 -14.125 6.511 1.00 0.00 C ATOM 890 CG GLN A 55 -1.236 -14.265 7.998 1.00 0.00 C ATOM 891 CD GLN A 55 0.137 -13.752 8.383 1.00 0.00 C ATOM 892 OE1 GLN A 55 1.054 -14.531 8.642 1.00 0.00 O ATOM 893 NE2 GLN A 55 0.287 -12.433 8.421 1.00 0.00 N ATOM 0 H GLN A 55 0.465 -14.390 4.449 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.976 -16.191 6.284 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.076 -13.196 6.152 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -2.595 -14.045 6.360 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.994 -13.720 8.560 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.321 -15.314 8.283 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.500 -11.824 8.199 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.189 -12.029 8.672 1.00 0.00 H new ATOM 902 N VAL A 56 -1.382 -16.277 3.496 1.00 0.00 N ATOM 903 CA VAL A 56 -2.145 -16.581 2.289 1.00 0.00 C ATOM 904 C VAL A 56 -2.561 -18.049 2.264 1.00 0.00 C ATOM 905 O VAL A 56 -2.171 -18.829 3.133 1.00 0.00 O ATOM 906 CB VAL A 56 -1.347 -16.264 1.000 1.00 0.00 C ATOM 907 CG1 VAL A 56 -2.108 -15.276 0.130 1.00 0.00 C ATOM 908 CG2 VAL A 56 0.042 -15.729 1.328 1.00 0.00 C ATOM 0 H VAL A 56 -0.448 -16.685 3.518 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.030 -15.946 2.314 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.225 -17.194 0.445 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.532 -15.065 -0.771 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -3.072 -15.703 -0.147 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.267 -14.351 0.684 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.578 -15.516 0.403 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.049 -14.814 1.913 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.592 -16.474 1.903 1.00 0.00 H new ATOM 918 N THR A 57 -3.350 -18.417 1.259 1.00 0.00 N ATOM 919 CA THR A 57 -3.817 -19.783 1.108 1.00 0.00 C ATOM 920 C THR A 57 -4.401 -19.989 -0.281 1.00 0.00 C ATOM 921 O THR A 57 -5.022 -19.092 -0.850 1.00 0.00 O ATOM 922 CB THR A 57 -4.868 -20.126 2.161 1.00 0.00 C ATOM 923 OG1 THR A 57 -5.766 -19.047 2.346 1.00 0.00 O ATOM 924 CG2 THR A 57 -4.279 -20.472 3.512 1.00 0.00 C ATOM 0 H THR A 57 -3.679 -17.779 0.534 1.00 0.00 H new ATOM 0 HA THR A 57 -2.962 -20.445 1.244 1.00 0.00 H new ATOM 0 HB THR A 57 -5.382 -21.006 1.774 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.432 -19.288 3.023 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.083 -20.705 4.211 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.623 -21.337 3.412 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.706 -19.624 3.887 1.00 0.00 H new ATOM 932 N GLY A 58 -4.190 -21.176 -0.815 1.00 0.00 N ATOM 933 CA GLY A 58 -4.689 -21.504 -2.133 1.00 0.00 C ATOM 934 C GLY A 58 -3.674 -22.270 -2.953 1.00 0.00 C ATOM 935 O GLY A 58 -3.114 -23.266 -2.496 1.00 0.00 O ATOM 0 H GLY A 58 -3.676 -21.928 -0.356 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -5.599 -22.097 -2.038 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.959 -20.587 -2.656 1.00 0.00 H new ATOM 939 N GLU A 59 -3.442 -21.797 -4.166 1.00 0.00 N ATOM 940 CA GLU A 59 -2.486 -22.428 -5.068 1.00 0.00 C ATOM 941 C GLU A 59 -1.236 -21.565 -5.211 1.00 0.00 C ATOM 942 O GLU A 59 -1.287 -20.350 -5.019 1.00 0.00 O ATOM 943 CB GLU A 59 -3.125 -22.658 -6.439 1.00 0.00 C ATOM 944 CG GLU A 59 -4.446 -23.409 -6.377 1.00 0.00 C ATOM 945 CD GLU A 59 -4.551 -24.493 -7.431 1.00 0.00 C ATOM 946 OE1 GLU A 59 -4.689 -24.149 -8.624 1.00 0.00 O ATOM 947 OE2 GLU A 59 -4.497 -25.686 -7.064 1.00 0.00 O ATOM 0 H GLU A 59 -3.904 -20.974 -4.553 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.198 -23.391 -4.647 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.287 -21.694 -6.921 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.429 -23.215 -7.066 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.560 -23.856 -5.389 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.267 -22.703 -6.504 1.00 0.00 H new ATOM 954 N PRO A 60 -0.092 -22.180 -5.557 1.00 0.00 N ATOM 955 CA PRO A 60 1.171 -21.459 -5.728 1.00 0.00 C ATOM 956 C PRO A 60 1.024 -20.258 -6.657 1.00 0.00 C ATOM 957 O PRO A 60 1.521 -19.170 -6.364 1.00 0.00 O ATOM 958 CB PRO A 60 2.117 -22.504 -6.341 1.00 0.00 C ATOM 959 CG PRO A 60 1.249 -23.655 -6.734 1.00 0.00 C ATOM 960 CD PRO A 60 0.066 -23.616 -5.812 1.00 0.00 C ATOM 0 HA PRO A 60 1.535 -21.051 -4.785 1.00 0.00 H new ATOM 0 HB2 PRO A 60 2.642 -22.097 -7.205 1.00 0.00 H new ATOM 0 HB3 PRO A 60 2.876 -22.814 -5.623 1.00 0.00 H new ATOM 0 HG2 PRO A 60 0.935 -23.570 -7.774 1.00 0.00 H new ATOM 0 HG3 PRO A 60 1.786 -24.599 -6.639 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -0.823 -24.046 -6.274 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.249 -24.173 -4.893 1.00 0.00 H new ATOM 968 N GLN A 61 0.337 -20.462 -7.774 1.00 0.00 N ATOM 969 CA GLN A 61 0.121 -19.396 -8.745 1.00 0.00 C ATOM 970 C GLN A 61 -0.932 -18.410 -8.249 1.00 0.00 C ATOM 971 O GLN A 61 -0.887 -17.224 -8.574 1.00 0.00 O ATOM 972 CB GLN A 61 -0.304 -19.981 -10.093 1.00 0.00 C ATOM 973 CG GLN A 61 0.864 -20.431 -10.956 1.00 0.00 C ATOM 974 CD GLN A 61 0.423 -20.950 -12.310 1.00 0.00 C ATOM 975 OE1 GLN A 61 0.347 -20.196 -13.281 1.00 0.00 O ATOM 976 NE2 GLN A 61 0.128 -22.243 -12.382 1.00 0.00 N ATOM 0 H GLN A 61 -0.081 -21.357 -8.030 1.00 0.00 H new ATOM 0 HA GLN A 61 1.062 -18.860 -8.871 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.965 -20.830 -9.919 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.881 -19.234 -10.638 1.00 0.00 H new ATOM 0 HG2 GLN A 61 1.550 -19.595 -11.097 1.00 0.00 H new ATOM 0 HG3 GLN A 61 1.417 -21.212 -10.434 1.00 0.00 H new ATOM 0 HE21 GLN A 61 0.205 -22.831 -11.552 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.176 -22.648 -13.267 1.00 0.00 H new ATOM 985 N GLU A 62 -1.880 -18.908 -7.459 1.00 0.00 N ATOM 986 CA GLU A 62 -2.942 -18.066 -6.922 1.00 0.00 C ATOM 987 C GLU A 62 -2.378 -17.060 -5.925 1.00 0.00 C ATOM 988 O GLU A 62 -2.688 -15.870 -5.984 1.00 0.00 O ATOM 989 CB GLU A 62 -4.015 -18.927 -6.252 1.00 0.00 C ATOM 990 CG GLU A 62 -5.282 -19.069 -7.079 1.00 0.00 C ATOM 991 CD GLU A 62 -6.538 -19.058 -6.230 1.00 0.00 C ATOM 992 OE1 GLU A 62 -6.905 -20.127 -5.698 1.00 0.00 O ATOM 993 OE2 GLU A 62 -7.155 -17.980 -6.097 1.00 0.00 O ATOM 0 H GLU A 62 -1.933 -19.887 -7.178 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.395 -17.518 -7.748 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.605 -19.918 -6.057 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.268 -18.491 -5.286 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.331 -18.256 -7.804 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.239 -19.999 -7.645 1.00 0.00 H new ATOM 1000 N ARG A 63 -1.543 -17.545 -5.011 1.00 0.00 N ATOM 1001 CA ARG A 63 -0.932 -16.691 -4.008 1.00 0.00 C ATOM 1002 C ARG A 63 -0.064 -15.625 -4.666 1.00 0.00 C ATOM 1003 O ARG A 63 0.019 -14.494 -4.187 1.00 0.00 O ATOM 1004 CB ARG A 63 -0.092 -17.532 -3.048 1.00 0.00 C ATOM 1005 CG ARG A 63 0.958 -18.384 -3.743 1.00 0.00 C ATOM 1006 CD ARG A 63 1.828 -19.125 -2.740 1.00 0.00 C ATOM 1007 NE ARG A 63 1.033 -19.929 -1.816 1.00 0.00 N ATOM 1008 CZ ARG A 63 1.554 -20.658 -0.831 1.00 0.00 C ATOM 1009 NH1 ARG A 63 2.867 -20.686 -0.639 1.00 0.00 N ATOM 1010 NH2 ARG A 63 0.759 -21.361 -0.036 1.00 0.00 N ATOM 0 H ARG A 63 -1.276 -18.527 -4.948 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.724 -16.193 -3.448 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.402 -16.871 -2.336 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.753 -18.182 -2.474 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.468 -19.102 -4.401 1.00 0.00 H new ATOM 0 HG3 ARG A 63 1.584 -17.751 -4.371 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.527 -19.770 -3.273 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.423 -18.407 -2.176 1.00 0.00 H new ATOM 0 HE ARG A 63 0.020 -19.932 -1.932 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.483 -20.147 -1.248 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.260 -21.246 0.117 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.251 -21.343 -0.179 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.157 -21.920 0.719 1.00 0.00 H new ATOM 1024 N ASP A 64 0.578 -15.992 -5.770 1.00 0.00 N ATOM 1025 CA ASP A 64 1.439 -15.067 -6.498 1.00 0.00 C ATOM 1026 C ASP A 64 0.611 -14.003 -7.211 1.00 0.00 C ATOM 1027 O ASP A 64 1.019 -12.845 -7.306 1.00 0.00 O ATOM 1028 CB ASP A 64 2.295 -15.827 -7.512 1.00 0.00 C ATOM 1029 CG ASP A 64 3.679 -15.227 -7.665 1.00 0.00 C ATOM 1030 OD1 ASP A 64 4.336 -14.979 -6.631 1.00 0.00 O ATOM 1031 OD2 ASP A 64 4.107 -15.004 -8.816 1.00 0.00 O ATOM 0 H ASP A 64 0.518 -16.924 -6.180 1.00 0.00 H new ATOM 0 HA ASP A 64 2.092 -14.573 -5.779 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.385 -16.867 -7.200 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.793 -15.827 -8.480 1.00 0.00 H new ATOM 1036 N LYS A 65 -0.553 -14.403 -7.712 1.00 0.00 N ATOM 1037 CA LYS A 65 -1.439 -13.485 -8.419 1.00 0.00 C ATOM 1038 C LYS A 65 -2.115 -12.520 -7.451 1.00 0.00 C ATOM 1039 O LYS A 65 -2.347 -11.357 -7.780 1.00 0.00 O ATOM 1040 CB LYS A 65 -2.495 -14.267 -9.202 1.00 0.00 C ATOM 1041 CG LYS A 65 -2.766 -13.704 -10.589 1.00 0.00 C ATOM 1042 CD LYS A 65 -4.024 -12.852 -10.608 1.00 0.00 C ATOM 1043 CE LYS A 65 -3.698 -11.373 -10.476 1.00 0.00 C ATOM 1044 NZ LYS A 65 -3.678 -10.688 -11.799 1.00 0.00 N ATOM 0 H LYS A 65 -0.905 -15.358 -7.641 1.00 0.00 H new ATOM 0 HA LYS A 65 -0.836 -12.903 -9.116 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.171 -15.304 -9.297 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.425 -14.274 -8.634 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.915 -13.105 -10.912 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.869 -14.523 -11.301 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.567 -13.024 -11.537 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -4.682 -13.155 -9.793 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.435 -10.895 -9.831 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.728 -11.257 -9.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.452 -9.682 -11.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.957 -11.127 -12.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.611 -10.776 -12.250 1.00 0.00 H new ATOM 1058 N ALA A 66 -2.432 -13.010 -6.257 1.00 0.00 N ATOM 1059 CA ALA A 66 -3.084 -12.189 -5.243 1.00 0.00 C ATOM 1060 C ALA A 66 -2.107 -11.189 -4.636 1.00 0.00 C ATOM 1061 O ALA A 66 -2.454 -10.032 -4.397 1.00 0.00 O ATOM 1062 CB ALA A 66 -3.685 -13.069 -4.158 1.00 0.00 C ATOM 0 H ALA A 66 -2.248 -13.971 -5.968 1.00 0.00 H new ATOM 0 HA ALA A 66 -3.885 -11.628 -5.724 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -4.168 -12.443 -3.408 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.422 -13.740 -4.600 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -2.896 -13.656 -3.687 1.00 0.00 H new ATOM 1068 N LEU A 67 -0.884 -11.644 -4.383 1.00 0.00 N ATOM 1069 CA LEU A 67 0.143 -10.791 -3.799 1.00 0.00 C ATOM 1070 C LEU A 67 0.703 -9.819 -4.835 1.00 0.00 C ATOM 1071 O LEU A 67 1.115 -8.709 -4.500 1.00 0.00 O ATOM 1072 CB LEU A 67 1.266 -11.644 -3.214 1.00 0.00 C ATOM 1073 CG LEU A 67 1.543 -11.415 -1.728 1.00 0.00 C ATOM 1074 CD1 LEU A 67 1.805 -9.943 -1.455 1.00 0.00 C ATOM 1075 CD2 LEU A 67 0.377 -11.917 -0.889 1.00 0.00 C ATOM 0 H LEU A 67 -0.581 -12.599 -4.574 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.314 -10.208 -2.999 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.020 -12.695 -3.365 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.181 -11.447 -3.773 1.00 0.00 H new ATOM 0 HG LEU A 67 2.435 -11.977 -1.451 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.000 -9.799 -0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.670 -9.615 -2.031 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.933 -9.358 -1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.589 -11.747 0.167 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.530 -11.380 -1.168 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.236 -12.984 -1.064 1.00 0.00 H new ATOM 1087 N GLN A 68 0.719 -10.247 -6.092 1.00 0.00 N ATOM 1088 CA GLN A 68 1.231 -9.418 -7.177 1.00 0.00 C ATOM 1089 C GLN A 68 0.357 -8.185 -7.383 1.00 0.00 C ATOM 1090 O GLN A 68 0.855 -7.105 -7.698 1.00 0.00 O ATOM 1091 CB GLN A 68 1.306 -10.226 -8.474 1.00 0.00 C ATOM 1092 CG GLN A 68 2.607 -10.992 -8.639 1.00 0.00 C ATOM 1093 CD GLN A 68 2.549 -12.005 -9.767 1.00 0.00 C ATOM 1094 OE1 GLN A 68 1.469 -12.404 -10.201 1.00 0.00 O ATOM 1095 NE2 GLN A 68 3.713 -12.425 -10.246 1.00 0.00 N ATOM 0 H GLN A 68 0.383 -11.164 -6.385 1.00 0.00 H new ATOM 0 HA GLN A 68 2.233 -9.088 -6.904 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.474 -10.929 -8.503 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.182 -9.551 -9.321 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.417 -10.288 -8.829 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.843 -11.505 -7.707 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.584 -12.067 -9.855 1.00 0.00 H new ATOM 0 HE22 GLN A 68 3.736 -13.106 -11.005 1.00 0.00 H new ATOM 1104 N GLU A 69 -0.949 -8.354 -7.205 1.00 0.00 N ATOM 1105 CA GLU A 69 -1.891 -7.253 -7.374 1.00 0.00 C ATOM 1106 C GLU A 69 -1.819 -6.289 -6.201 1.00 0.00 C ATOM 1107 O GLU A 69 -2.057 -5.091 -6.353 1.00 0.00 O ATOM 1108 CB GLU A 69 -3.317 -7.783 -7.536 1.00 0.00 C ATOM 1109 CG GLU A 69 -4.351 -6.691 -7.751 1.00 0.00 C ATOM 1110 CD GLU A 69 -4.730 -6.526 -9.211 1.00 0.00 C ATOM 1111 OE1 GLU A 69 -3.999 -5.820 -9.937 1.00 0.00 O ATOM 1112 OE2 GLU A 69 -5.756 -7.103 -9.626 1.00 0.00 O ATOM 0 H GLU A 69 -1.379 -9.241 -6.944 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.614 -6.712 -8.279 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.346 -8.471 -8.381 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.586 -8.356 -6.649 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.245 -6.923 -7.171 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.961 -5.747 -7.372 1.00 0.00 H new ATOM 1119 N LEU A 70 -1.474 -6.813 -5.033 1.00 0.00 N ATOM 1120 CA LEU A 70 -1.354 -5.992 -3.837 1.00 0.00 C ATOM 1121 C LEU A 70 -0.452 -4.793 -4.111 1.00 0.00 C ATOM 1122 O LEU A 70 -0.606 -3.731 -3.506 1.00 0.00 O ATOM 1123 CB LEU A 70 -0.794 -6.818 -2.675 1.00 0.00 C ATOM 1124 CG LEU A 70 -1.456 -6.560 -1.321 1.00 0.00 C ATOM 1125 CD1 LEU A 70 -1.379 -7.801 -0.445 1.00 0.00 C ATOM 1126 CD2 LEU A 70 -0.804 -5.374 -0.627 1.00 0.00 C ATOM 0 H LEU A 70 -1.272 -7.802 -4.889 1.00 0.00 H new ATOM 0 HA LEU A 70 -2.346 -5.632 -3.562 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.898 -7.876 -2.918 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.273 -6.615 -2.585 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.507 -6.324 -1.490 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.855 -7.599 0.515 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.892 -8.627 -0.938 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.335 -8.068 -0.283 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.287 -5.205 0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.254 -5.581 -0.470 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.911 -4.485 -1.248 1.00 0.00 H new ATOM 1138 N ARG A 71 0.492 -4.975 -5.031 1.00 0.00 N ATOM 1139 CA ARG A 71 1.424 -3.912 -5.392 1.00 0.00 C ATOM 1140 C ARG A 71 0.709 -2.787 -6.132 1.00 0.00 C ATOM 1141 O ARG A 71 0.969 -1.609 -5.891 1.00 0.00 O ATOM 1142 CB ARG A 71 2.554 -4.470 -6.258 1.00 0.00 C ATOM 1143 CG ARG A 71 3.903 -3.821 -5.991 1.00 0.00 C ATOM 1144 CD ARG A 71 4.961 -4.313 -6.964 1.00 0.00 C ATOM 1145 NE ARG A 71 6.290 -3.808 -6.630 1.00 0.00 N ATOM 1146 CZ ARG A 71 6.667 -2.543 -6.801 1.00 0.00 C ATOM 1147 NH1 ARG A 71 5.820 -1.653 -7.304 1.00 0.00 N ATOM 1148 NH2 ARG A 71 7.895 -2.167 -6.471 1.00 0.00 N ATOM 0 H ARG A 71 0.631 -5.848 -5.539 1.00 0.00 H new ATOM 0 HA ARG A 71 1.846 -3.506 -4.473 1.00 0.00 H new ATOM 0 HB2 ARG A 71 2.636 -5.543 -6.086 1.00 0.00 H new ATOM 0 HB3 ARG A 71 2.296 -4.334 -7.308 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.809 -2.738 -6.071 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.217 -4.039 -4.970 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.976 -5.403 -6.962 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.698 -4.000 -7.974 1.00 0.00 H new ATOM 0 HE ARG A 71 6.969 -4.463 -6.243 1.00 0.00 H new ATOM 0 HH11 ARG A 71 4.875 -1.937 -7.562 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.114 -0.685 -7.433 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.551 -2.847 -6.086 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.184 -1.198 -6.602 1.00 0.00 H new ATOM 1162 N GLN A 72 -0.191 -3.158 -7.036 1.00 0.00 N ATOM 1163 CA GLN A 72 -0.942 -2.180 -7.815 1.00 0.00 C ATOM 1164 C GLN A 72 -1.768 -1.277 -6.905 1.00 0.00 C ATOM 1165 O GLN A 72 -1.849 -0.068 -7.121 1.00 0.00 O ATOM 1166 CB GLN A 72 -1.856 -2.887 -8.817 1.00 0.00 C ATOM 1167 CG GLN A 72 -1.141 -3.344 -10.077 1.00 0.00 C ATOM 1168 CD GLN A 72 -1.404 -2.433 -11.259 1.00 0.00 C ATOM 1169 OE1 GLN A 72 -1.060 -1.251 -11.236 1.00 0.00 O ATOM 1170 NE2 GLN A 72 -2.017 -2.980 -12.303 1.00 0.00 N ATOM 0 H GLN A 72 -0.418 -4.130 -7.248 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.228 -1.562 -8.359 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.311 -3.752 -8.334 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.667 -2.214 -9.094 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.069 -3.386 -9.887 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.461 -4.356 -10.325 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -2.285 -3.964 -12.279 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -2.220 -2.416 -13.128 1.00 0.00 H new ATOM 1179 N GLU A 73 -2.380 -1.872 -5.886 1.00 0.00 N ATOM 1180 CA GLU A 73 -3.201 -1.119 -4.944 1.00 0.00 C ATOM 1181 C GLU A 73 -2.356 -0.114 -4.168 1.00 0.00 C ATOM 1182 O GLU A 73 -2.685 1.070 -4.103 1.00 0.00 O ATOM 1183 CB GLU A 73 -3.902 -2.071 -3.973 1.00 0.00 C ATOM 1184 CG GLU A 73 -4.706 -3.161 -4.663 1.00 0.00 C ATOM 1185 CD GLU A 73 -6.018 -2.648 -5.225 1.00 0.00 C ATOM 1186 OE1 GLU A 73 -5.990 -1.682 -6.015 1.00 0.00 O ATOM 1187 OE2 GLU A 73 -7.075 -3.214 -4.873 1.00 0.00 O ATOM 0 H GLU A 73 -2.323 -2.872 -5.692 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.953 -0.572 -5.512 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.155 -2.535 -3.329 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -4.565 -1.495 -3.328 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.112 -3.590 -5.470 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -4.907 -3.964 -3.954 1.00 0.00 H new ATOM 1194 N LEU A 74 -1.265 -0.595 -3.580 1.00 0.00 N ATOM 1195 CA LEU A 74 -0.372 0.261 -2.807 1.00 0.00 C ATOM 1196 C LEU A 74 0.368 1.239 -3.714 1.00 0.00 C ATOM 1197 O LEU A 74 0.664 2.366 -3.319 1.00 0.00 O ATOM 1198 CB LEU A 74 0.632 -0.587 -2.025 1.00 0.00 C ATOM 1199 CG LEU A 74 0.013 -1.606 -1.068 1.00 0.00 C ATOM 1200 CD1 LEU A 74 1.098 -2.337 -0.291 1.00 0.00 C ATOM 1201 CD2 LEU A 74 -0.957 -0.921 -0.116 1.00 0.00 C ATOM 0 H LEU A 74 -0.978 -1.573 -3.624 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.978 0.834 -2.105 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.267 -1.117 -2.735 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.279 0.079 -1.454 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.540 -2.339 -1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.638 -3.058 0.385 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.755 -2.859 -0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.679 -1.618 0.286 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.389 -1.661 0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.426 -0.167 0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.753 -0.444 -0.688 1.00 0.00 H new ATOM 1213 N ASN A 75 0.664 0.799 -4.933 1.00 0.00 N ATOM 1214 CA ASN A 75 1.370 1.635 -5.897 1.00 0.00 C ATOM 1215 C ASN A 75 0.585 2.909 -6.193 1.00 0.00 C ATOM 1216 O ASN A 75 1.128 4.013 -6.138 1.00 0.00 O ATOM 1217 CB ASN A 75 1.617 0.861 -7.193 1.00 0.00 C ATOM 1218 CG ASN A 75 2.421 1.659 -8.201 1.00 0.00 C ATOM 1219 OD1 ASN A 75 3.542 2.081 -7.923 1.00 0.00 O ATOM 1220 ND2 ASN A 75 1.848 1.871 -9.380 1.00 0.00 N ATOM 0 H ASN A 75 0.426 -0.131 -5.276 1.00 0.00 H new ATOM 0 HA ASN A 75 2.329 1.915 -5.461 1.00 0.00 H new ATOM 0 HB2 ASN A 75 2.144 -0.065 -6.964 1.00 0.00 H new ATOM 0 HB3 ASN A 75 0.660 0.583 -7.635 1.00 0.00 H new ATOM 0 HD21 ASN A 75 2.340 2.403 -10.098 1.00 0.00 H new ATOM 0 HD22 ASN A 75 0.916 1.502 -9.568 1.00 0.00 H new ATOM 1227 N THR A 76 -0.695 2.748 -6.509 1.00 0.00 N ATOM 1228 CA THR A 76 -1.556 3.881 -6.814 1.00 0.00 C ATOM 1229 C THR A 76 -1.921 4.655 -5.558 1.00 0.00 C ATOM 1230 O THR A 76 -2.022 5.879 -5.585 1.00 0.00 O ATOM 1231 CB THR A 76 -2.829 3.429 -7.505 1.00 0.00 C ATOM 1232 OG1 THR A 76 -3.249 2.167 -7.016 1.00 0.00 O ATOM 1233 CG2 THR A 76 -2.698 3.326 -9.008 1.00 0.00 C ATOM 0 H THR A 76 -1.159 1.841 -6.560 1.00 0.00 H new ATOM 0 HA THR A 76 -0.995 4.534 -7.482 1.00 0.00 H new ATOM 0 HB THR A 76 -3.564 4.201 -7.279 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.756 1.457 -7.478 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.646 2.998 -9.434 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.434 4.301 -9.418 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.919 2.605 -9.257 1.00 0.00 H new ATOM 1241 N LEU A 77 -2.133 3.939 -4.457 1.00 0.00 N ATOM 1242 CA LEU A 77 -2.499 4.581 -3.199 1.00 0.00 C ATOM 1243 C LEU A 77 -1.534 5.720 -2.902 1.00 0.00 C ATOM 1244 O LEU A 77 -1.898 6.716 -2.277 1.00 0.00 O ATOM 1245 CB LEU A 77 -2.484 3.564 -2.055 1.00 0.00 C ATOM 1246 CG LEU A 77 -3.808 2.837 -1.817 1.00 0.00 C ATOM 1247 CD1 LEU A 77 -3.577 1.546 -1.047 1.00 0.00 C ATOM 1248 CD2 LEU A 77 -4.784 3.736 -1.075 1.00 0.00 C ATOM 0 H LEU A 77 -2.058 2.923 -4.410 1.00 0.00 H new ATOM 0 HA LEU A 77 -3.508 4.983 -3.290 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.712 2.822 -2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.199 4.077 -1.137 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.242 2.586 -2.785 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.530 1.042 -0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -2.914 0.896 -1.618 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.121 1.774 -0.084 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.721 3.202 -0.914 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.358 4.019 -0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.974 4.632 -1.665 1.00 0.00 H new ATOM 1260 N ALA A 78 -0.306 5.571 -3.380 1.00 0.00 N ATOM 1261 CA ALA A 78 0.717 6.585 -3.205 1.00 0.00 C ATOM 1262 C ALA A 78 0.429 7.811 -4.074 1.00 0.00 C ATOM 1263 O ALA A 78 0.829 8.924 -3.736 1.00 0.00 O ATOM 1264 CB ALA A 78 2.089 6.014 -3.533 1.00 0.00 C ATOM 0 H ALA A 78 0.005 4.748 -3.896 1.00 0.00 H new ATOM 0 HA ALA A 78 0.707 6.900 -2.162 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.846 6.786 -3.397 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.302 5.176 -2.870 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.102 5.671 -4.567 1.00 0.00 H new ATOM 1270 N ASN A 79 -0.254 7.600 -5.206 1.00 0.00 N ATOM 1271 CA ASN A 79 -0.567 8.698 -6.122 1.00 0.00 C ATOM 1272 C ASN A 79 -1.210 9.883 -5.397 1.00 0.00 C ATOM 1273 O ASN A 79 -0.721 11.010 -5.492 1.00 0.00 O ATOM 1274 CB ASN A 79 -1.493 8.209 -7.238 1.00 0.00 C ATOM 1275 CG ASN A 79 -1.143 8.811 -8.584 1.00 0.00 C ATOM 1276 OD1 ASN A 79 -1.518 9.943 -8.887 1.00 0.00 O ATOM 1277 ND2 ASN A 79 -0.421 8.054 -9.401 1.00 0.00 N ATOM 0 H ASN A 79 -0.597 6.687 -5.506 1.00 0.00 H new ATOM 0 HA ASN A 79 0.374 9.041 -6.551 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.437 7.122 -7.303 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.524 8.460 -6.988 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.156 8.406 -10.321 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -0.131 7.121 -9.109 1.00 0.00 H new ATOM 1284 N PRO A 80 -2.313 9.655 -4.661 1.00 0.00 N ATOM 1285 CA PRO A 80 -3.003 10.722 -3.928 1.00 0.00 C ATOM 1286 C PRO A 80 -2.159 11.281 -2.788 1.00 0.00 C ATOM 1287 O PRO A 80 -2.128 12.491 -2.561 1.00 0.00 O ATOM 1288 CB PRO A 80 -4.256 10.033 -3.378 1.00 0.00 C ATOM 1289 CG PRO A 80 -3.906 8.587 -3.331 1.00 0.00 C ATOM 1290 CD PRO A 80 -2.977 8.350 -4.488 1.00 0.00 C ATOM 0 HA PRO A 80 -3.220 11.577 -4.568 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -4.512 10.410 -2.388 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -5.119 10.210 -4.020 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -3.426 8.332 -2.386 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.798 7.966 -3.413 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -2.259 7.559 -4.272 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.519 8.052 -5.385 1.00 0.00 H new ATOM 1298 N PHE A 81 -1.475 10.394 -2.074 1.00 0.00 N ATOM 1299 CA PHE A 81 -0.630 10.799 -0.956 1.00 0.00 C ATOM 1300 C PHE A 81 0.522 11.677 -1.435 1.00 0.00 C ATOM 1301 O PHE A 81 0.761 12.755 -0.893 1.00 0.00 O ATOM 1302 CB PHE A 81 -0.083 9.568 -0.231 1.00 0.00 C ATOM 1303 CG PHE A 81 0.375 9.852 1.171 1.00 0.00 C ATOM 1304 CD1 PHE A 81 -0.411 10.601 2.032 1.00 0.00 C ATOM 1305 CD2 PHE A 81 1.590 9.368 1.628 1.00 0.00 C ATOM 1306 CE1 PHE A 81 0.008 10.864 3.323 1.00 0.00 C ATOM 1307 CE2 PHE A 81 2.014 9.627 2.918 1.00 0.00 C ATOM 1308 CZ PHE A 81 1.222 10.375 3.766 1.00 0.00 C ATOM 0 H PHE A 81 -1.489 9.389 -2.249 1.00 0.00 H new ATOM 0 HA PHE A 81 -1.240 11.378 -0.263 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -0.855 8.799 -0.204 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.752 9.161 -0.802 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -1.362 10.984 1.691 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.213 8.782 0.969 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -0.613 11.451 3.984 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.964 9.245 3.262 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.551 10.578 4.775 1.00 0.00 H new ATOM 1318 N LEU A 82 1.235 11.206 -2.453 1.00 0.00 N ATOM 1319 CA LEU A 82 2.363 11.947 -3.005 1.00 0.00 C ATOM 1320 C LEU A 82 1.888 13.199 -3.734 1.00 0.00 C ATOM 1321 O LEU A 82 2.488 14.267 -3.611 1.00 0.00 O ATOM 1322 CB LEU A 82 3.166 11.060 -3.959 1.00 0.00 C ATOM 1323 CG LEU A 82 4.273 10.236 -3.299 1.00 0.00 C ATOM 1324 CD1 LEU A 82 4.694 9.089 -4.203 1.00 0.00 C ATOM 1325 CD2 LEU A 82 5.465 11.119 -2.964 1.00 0.00 C ATOM 0 H LEU A 82 1.051 10.314 -2.912 1.00 0.00 H new ATOM 0 HA LEU A 82 3.004 12.252 -2.178 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.479 10.380 -4.463 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.613 11.690 -4.728 1.00 0.00 H new ATOM 0 HG LEU A 82 3.885 9.816 -2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 82 5.482 8.514 -3.718 1.00 0.00 H new ATOM 0 HD12 LEU A 82 3.837 8.442 -4.393 1.00 0.00 H new ATOM 0 HD13 LEU A 82 5.065 9.487 -5.147 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.243 10.517 -2.495 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.854 11.567 -3.878 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.153 11.907 -2.278 1.00 0.00 H new ATOM 1337 N ALA A 83 0.805 13.062 -4.493 1.00 0.00 N ATOM 1338 CA ALA A 83 0.249 14.182 -5.241 1.00 0.00 C ATOM 1339 C ALA A 83 -0.165 15.314 -4.308 1.00 0.00 C ATOM 1340 O ALA A 83 0.117 16.483 -4.571 1.00 0.00 O ATOM 1341 CB ALA A 83 -0.936 13.722 -6.076 1.00 0.00 C ATOM 0 H ALA A 83 0.296 12.186 -4.606 1.00 0.00 H new ATOM 0 HA ALA A 83 1.023 14.562 -5.908 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -1.342 14.569 -6.630 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -0.611 12.953 -6.776 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.706 13.314 -5.421 1.00 0.00 H new ATOM 1347 N LYS A 84 -0.837 14.959 -3.218 1.00 0.00 N ATOM 1348 CA LYS A 84 -1.290 15.946 -2.245 1.00 0.00 C ATOM 1349 C LYS A 84 -0.114 16.515 -1.456 1.00 0.00 C ATOM 1350 O LYS A 84 -0.136 17.672 -1.039 1.00 0.00 O ATOM 1351 CB LYS A 84 -2.305 15.318 -1.287 1.00 0.00 C ATOM 1352 CG LYS A 84 -3.742 15.425 -1.767 1.00 0.00 C ATOM 1353 CD LYS A 84 -4.681 14.594 -0.908 1.00 0.00 C ATOM 1354 CE LYS A 84 -6.009 15.301 -0.687 1.00 0.00 C ATOM 1355 NZ LYS A 84 -7.040 14.384 -0.130 1.00 0.00 N ATOM 0 H LYS A 84 -1.080 13.996 -2.986 1.00 0.00 H new ATOM 0 HA LYS A 84 -1.767 16.762 -2.788 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.056 14.266 -1.145 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -2.219 15.800 -0.313 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -4.057 16.468 -1.747 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.806 15.093 -2.803 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.856 13.630 -1.387 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.211 14.391 0.054 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -5.865 16.141 -0.007 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -6.362 15.713 -1.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.930 14.904 0.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -7.197 13.596 -0.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.714 14.010 0.784 1.00 0.00 H new ATOM 1369 N TYR A 85 0.910 15.692 -1.258 1.00 0.00 N ATOM 1370 CA TYR A 85 2.095 16.114 -0.519 1.00 0.00 C ATOM 1371 C TYR A 85 2.889 17.151 -1.309 1.00 0.00 C ATOM 1372 O TYR A 85 3.208 18.224 -0.799 1.00 0.00 O ATOM 1373 CB TYR A 85 2.980 14.905 -0.201 1.00 0.00 C ATOM 1374 CG TYR A 85 3.051 14.579 1.273 1.00 0.00 C ATOM 1375 CD1 TYR A 85 2.050 13.835 1.887 1.00 0.00 C ATOM 1376 CD2 TYR A 85 4.117 15.012 2.050 1.00 0.00 C ATOM 1377 CE1 TYR A 85 2.111 13.535 3.235 1.00 0.00 C ATOM 1378 CE2 TYR A 85 4.185 14.714 3.398 1.00 0.00 C ATOM 1379 CZ TYR A 85 3.180 13.976 3.985 1.00 0.00 C ATOM 1380 OH TYR A 85 3.244 13.678 5.327 1.00 0.00 O ATOM 0 H TYR A 85 0.944 14.731 -1.598 1.00 0.00 H new ATOM 0 HA TYR A 85 1.768 16.571 0.415 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.601 14.036 -0.739 1.00 0.00 H new ATOM 0 HB3 TYR A 85 3.987 15.095 -0.572 1.00 0.00 H new ATOM 0 HD1 TYR A 85 1.212 13.486 1.302 1.00 0.00 H new ATOM 0 HD2 TYR A 85 4.906 15.591 1.594 1.00 0.00 H new ATOM 0 HE1 TYR A 85 1.325 12.958 3.698 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.022 15.058 3.988 1.00 0.00 H new ATOM 0 HH TYR A 85 2.513 13.069 5.562 1.00 0.00 H new ATOM 1390 N ARG A 86 3.205 16.821 -2.558 1.00 0.00 N ATOM 1391 CA ARG A 86 3.962 17.723 -3.418 1.00 0.00 C ATOM 1392 C ARG A 86 3.236 19.055 -3.588 1.00 0.00 C ATOM 1393 O ARG A 86 3.865 20.099 -3.755 1.00 0.00 O ATOM 1394 CB ARG A 86 4.197 17.080 -4.785 1.00 0.00 C ATOM 1395 CG ARG A 86 5.429 16.192 -4.836 1.00 0.00 C ATOM 1396 CD ARG A 86 5.302 15.122 -5.909 1.00 0.00 C ATOM 1397 NE ARG A 86 6.604 14.708 -6.426 1.00 0.00 N ATOM 1398 CZ ARG A 86 6.771 14.064 -7.579 1.00 0.00 C ATOM 1399 NH1 ARG A 86 5.725 13.759 -8.336 1.00 0.00 N ATOM 1400 NH2 ARG A 86 7.991 13.724 -7.976 1.00 0.00 N ATOM 0 H ARG A 86 2.949 15.936 -2.996 1.00 0.00 H new ATOM 0 HA ARG A 86 4.924 17.914 -2.942 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.322 16.489 -5.054 1.00 0.00 H new ATOM 0 HB3 ARG A 86 4.294 17.865 -5.535 1.00 0.00 H new ATOM 0 HG2 ARG A 86 6.311 16.802 -5.032 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.578 15.719 -3.865 1.00 0.00 H new ATOM 0 HD2 ARG A 86 4.783 14.256 -5.498 1.00 0.00 H new ATOM 0 HD3 ARG A 86 4.690 15.501 -6.728 1.00 0.00 H new ATOM 0 HE ARG A 86 7.432 14.925 -5.872 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.785 14.018 -8.036 1.00 0.00 H new ATOM 0 HH12 ARG A 86 5.861 13.265 -9.218 1.00 0.00 H new ATOM 0 HH21 ARG A 86 8.799 13.956 -7.398 1.00 0.00 H new ATOM 0 HH22 ARG A 86 8.121 13.230 -8.859 1.00 0.00 H new ATOM 1414 N ASP A 87 1.908 19.009 -3.544 1.00 0.00 N ATOM 1415 CA ASP A 87 1.097 20.211 -3.693 1.00 0.00 C ATOM 1416 C ASP A 87 1.071 21.015 -2.396 1.00 0.00 C ATOM 1417 O ASP A 87 0.974 22.242 -2.417 1.00 0.00 O ATOM 1418 CB ASP A 87 -0.329 19.842 -4.106 1.00 0.00 C ATOM 1419 CG ASP A 87 -0.501 19.796 -5.612 1.00 0.00 C ATOM 1420 OD1 ASP A 87 0.186 18.982 -6.263 1.00 0.00 O ATOM 1421 OD2 ASP A 87 -1.323 20.575 -6.139 1.00 0.00 O ATOM 0 H ASP A 87 1.372 18.152 -3.406 1.00 0.00 H new ATOM 0 HA ASP A 87 1.546 20.827 -4.472 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -0.587 18.871 -3.684 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.025 20.567 -3.685 1.00 0.00 H new ATOM 1426 N PHE A 88 1.158 20.314 -1.270 1.00 0.00 N ATOM 1427 CA PHE A 88 1.144 20.963 0.036 1.00 0.00 C ATOM 1428 C PHE A 88 2.444 21.720 0.283 1.00 0.00 C ATOM 1429 O PHE A 88 2.436 22.826 0.823 1.00 0.00 O ATOM 1430 CB PHE A 88 0.924 19.927 1.139 1.00 0.00 C ATOM 1431 CG PHE A 88 0.058 20.422 2.263 1.00 0.00 C ATOM 1432 CD1 PHE A 88 0.607 21.134 3.317 1.00 0.00 C ATOM 1433 CD2 PHE A 88 -1.306 20.175 2.264 1.00 0.00 C ATOM 1434 CE1 PHE A 88 -0.188 21.591 4.352 1.00 0.00 C ATOM 1435 CE2 PHE A 88 -2.106 20.629 3.296 1.00 0.00 C ATOM 1436 CZ PHE A 88 -1.545 21.337 4.340 1.00 0.00 C ATOM 0 H PHE A 88 1.239 19.298 -1.236 1.00 0.00 H new ATOM 0 HA PHE A 88 0.322 21.679 0.050 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.468 19.037 0.705 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.891 19.626 1.542 1.00 0.00 H new ATOM 0 HD1 PHE A 88 1.668 21.334 3.330 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -1.749 19.622 1.449 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.252 22.145 5.168 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -3.168 20.430 3.286 1.00 0.00 H new ATOM 0 HZ PHE A 88 -2.168 21.692 5.148 1.00 0.00 H new ATOM 1446 N LEU A 89 3.560 21.116 -0.114 1.00 0.00 N ATOM 1447 CA LEU A 89 4.870 21.735 0.065 1.00 0.00 C ATOM 1448 C LEU A 89 5.634 21.787 -1.254 1.00 0.00 C ATOM 1449 O LEU A 89 5.719 22.836 -1.892 1.00 0.00 O ATOM 1450 CB LEU A 89 5.686 20.973 1.115 1.00 0.00 C ATOM 1451 CG LEU A 89 5.357 19.483 1.245 1.00 0.00 C ATOM 1452 CD1 LEU A 89 6.621 18.677 1.504 1.00 0.00 C ATOM 1453 CD2 LEU A 89 4.342 19.256 2.356 1.00 0.00 C ATOM 0 H LEU A 89 3.584 20.200 -0.561 1.00 0.00 H new ATOM 0 HA LEU A 89 4.713 22.756 0.413 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.744 21.075 0.873 1.00 0.00 H new ATOM 0 HB3 LEU A 89 5.534 21.448 2.084 1.00 0.00 H new ATOM 0 HG LEU A 89 4.921 19.144 0.305 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.367 17.621 1.593 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.316 18.814 0.676 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.087 19.018 2.429 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.120 18.192 2.434 1.00 0.00 H new ATOM 0 HD22 LEU A 89 4.752 19.612 3.301 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.426 19.802 2.129 1.00 0.00 H new ATOM 1465 N LYS A 90 6.189 20.649 -1.659 1.00 0.00 N ATOM 1466 CA LYS A 90 6.945 20.568 -2.902 1.00 0.00 C ATOM 1467 C LYS A 90 7.113 19.117 -3.345 1.00 0.00 C ATOM 1468 O LYS A 90 7.120 18.869 -4.569 1.00 0.00 O ATOM 1469 CB LYS A 90 8.318 21.223 -2.734 1.00 0.00 C ATOM 1470 CG LYS A 90 9.067 21.412 -4.042 1.00 0.00 C ATOM 1471 CD LYS A 90 10.557 21.600 -3.807 1.00 0.00 C ATOM 1472 CE LYS A 90 11.321 21.695 -5.119 1.00 0.00 C ATOM 1473 NZ LYS A 90 11.558 23.108 -5.524 1.00 0.00 N ATOM 1474 OXT LYS A 90 7.236 18.242 -2.462 1.00 1.00 O ATOM 0 H LYS A 90 6.129 19.771 -1.144 1.00 0.00 H new ATOM 0 HA LYS A 90 6.387 21.102 -3.671 1.00 0.00 H new ATOM 0 HB2 LYS A 90 8.192 22.193 -2.254 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.923 20.612 -2.064 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.905 20.546 -4.684 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.668 22.279 -4.569 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.723 22.505 -3.222 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.942 20.766 -3.220 1.00 0.00 H new ATOM 0 HE2 LYS A 90 12.277 21.181 -5.020 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.763 21.182 -5.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 12.081 23.128 -6.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 10.646 23.593 -5.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 12.113 23.591 -4.789 1.00 0.00 H new TER 1488 LYS A 90