USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 469 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 23 ASN : amide:sc= -2.5 K(o=-17,f=-21!) USER MOD Set 1.2: A 26 GLN : amide:sc= -3.7 K(o=-17,f=-29!) USER MOD Set 1.3: A 55 GLN : amide:sc= -11.3! C(o=-17!,f=-23!) USER MOD Set 2.1: A 1 VAL N :NH3+ -179:sc= -0.47 (180deg=-0.438) USER MOD Set 2.2: A 6 ASN : amide:sc= -0.434 X(o=-0.9,f=-0.52) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 LYS NZ :NH3+ -155:sc= 0.00936 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -152:sc= -2.35! (180deg=-2.95!) USER MOD Single : A 17 MET CE :methyl 173:sc= -9.94! (180deg=-10.3!) USER MOD Single : A 21 ASN : amide:sc= -2.97 K(o=-3,f=-6.5!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.32 K(o=-0.32,f=-8.5!) USER MOD Single : A 33 SER OG : rot 67:sc= 0.98 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 41 SER OG : rot -89:sc= -0.798 USER MOD Single : A 43 ASN : amide:sc= -0.0453 K(o=-0.045,f=-1.4!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= -5.84! C(o=-5.8!,f=-12!) USER MOD Single : A 58 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0763) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -3.332 -9.175 14.602 1.00 0.00 N ATOM 2 CA VAL A 1 -1.981 -9.554 15.113 1.00 0.00 C ATOM 3 C VAL A 1 -1.747 -11.045 14.856 1.00 0.00 C ATOM 4 O VAL A 1 -0.673 -11.440 14.399 1.00 0.00 O ATOM 5 CB VAL A 1 -1.891 -9.226 16.619 1.00 0.00 C ATOM 6 CG1 VAL A 1 -2.948 -10.011 17.413 1.00 0.00 C ATOM 7 CG2 VAL A 1 -0.490 -9.579 17.144 1.00 0.00 C ATOM 0 H1 VAL A 1 -3.490 -8.159 14.759 1.00 0.00 H new ATOM 0 H2 VAL A 1 -3.389 -9.381 13.584 1.00 0.00 H new ATOM 0 H3 VAL A 1 -4.060 -9.720 15.107 1.00 0.00 H new ATOM 0 HA VAL A 1 -1.208 -8.988 14.594 1.00 0.00 H new ATOM 0 HB VAL A 1 -2.076 -8.160 16.750 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -2.866 -9.764 18.471 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -3.943 -9.746 17.055 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -2.786 -11.080 17.276 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -0.430 -9.346 18.207 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -0.303 -10.642 16.994 1.00 0.00 H new ATOM 0 HG23 VAL A 1 0.258 -8.999 16.603 1.00 0.00 H new ATOM 19 N ASP A 2 -2.763 -11.857 15.148 1.00 0.00 N ATOM 20 CA ASP A 2 -2.682 -13.304 14.946 1.00 0.00 C ATOM 21 C ASP A 2 -2.470 -13.627 13.466 1.00 0.00 C ATOM 22 O ASP A 2 -1.760 -14.574 13.119 1.00 0.00 O ATOM 23 CB ASP A 2 -3.980 -13.961 15.436 1.00 0.00 C ATOM 24 CG ASP A 2 -5.165 -13.493 14.584 1.00 0.00 C ATOM 25 OD1 ASP A 2 -5.539 -12.337 14.705 1.00 0.00 O ATOM 26 OD2 ASP A 2 -5.670 -14.293 13.815 1.00 0.00 O ATOM 0 H ASP A 2 -3.654 -11.536 15.526 1.00 0.00 H new ATOM 0 HA ASP A 2 -1.836 -13.692 15.513 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -3.890 -15.046 15.382 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -4.152 -13.707 16.482 1.00 0.00 H new ATOM 31 N ASN A 3 -3.096 -12.823 12.608 1.00 0.00 N ATOM 32 CA ASN A 3 -2.990 -13.003 11.164 1.00 0.00 C ATOM 33 C ASN A 3 -1.636 -12.509 10.665 1.00 0.00 C ATOM 34 O ASN A 3 -1.008 -11.651 11.293 1.00 0.00 O ATOM 35 CB ASN A 3 -4.112 -12.228 10.463 1.00 0.00 C ATOM 36 CG ASN A 3 -5.462 -12.588 11.077 1.00 0.00 C ATOM 37 OD1 ASN A 3 -6.095 -11.751 11.720 1.00 0.00 O ATOM 38 ND2 ASN A 3 -5.943 -13.790 10.917 1.00 0.00 N ATOM 0 H ASN A 3 -3.683 -12.039 12.891 1.00 0.00 H new ATOM 0 HA ASN A 3 -3.083 -14.065 10.935 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -3.936 -11.156 10.555 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -4.115 -12.460 9.398 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -6.845 -14.037 11.325 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -5.417 -14.483 10.384 1.00 0.00 H new ATOM 45 N LYS A 4 -1.193 -13.054 9.531 1.00 0.00 N ATOM 46 CA LYS A 4 0.092 -12.666 8.946 1.00 0.00 C ATOM 47 C LYS A 4 -0.046 -11.361 8.173 1.00 0.00 C ATOM 48 O LYS A 4 0.894 -10.912 7.509 1.00 0.00 O ATOM 49 CB LYS A 4 0.613 -13.768 8.012 1.00 0.00 C ATOM 50 CG LYS A 4 0.545 -15.139 8.712 1.00 0.00 C ATOM 51 CD LYS A 4 1.458 -15.155 9.949 1.00 0.00 C ATOM 52 CE LYS A 4 1.356 -16.515 10.650 1.00 0.00 C ATOM 53 NZ LYS A 4 0.133 -16.541 11.504 1.00 0.00 N ATOM 0 H LYS A 4 -1.702 -13.762 9.001 1.00 0.00 H new ATOM 0 HA LYS A 4 0.805 -12.523 9.758 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.020 -13.789 7.097 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.641 -13.551 7.721 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -0.482 -15.353 9.007 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.847 -15.924 8.019 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.490 -14.964 9.654 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.170 -14.359 10.636 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.314 -17.315 9.911 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.243 -16.690 11.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 0.261 -17.229 12.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.029 -15.596 11.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.687 -16.816 10.927 1.00 0.00 H new ATOM 67 N PHE A 5 -1.229 -10.770 8.266 1.00 0.00 N ATOM 68 CA PHE A 5 -1.530 -9.526 7.580 1.00 0.00 C ATOM 69 C PHE A 5 -0.527 -8.441 7.905 1.00 0.00 C ATOM 70 O PHE A 5 0.051 -7.835 7.016 1.00 0.00 O ATOM 71 CB PHE A 5 -2.872 -8.991 8.066 1.00 0.00 C ATOM 72 CG PHE A 5 -4.039 -9.642 7.373 1.00 0.00 C ATOM 73 CD1 PHE A 5 -4.054 -11.023 7.129 1.00 0.00 C ATOM 74 CD2 PHE A 5 -5.126 -8.846 6.988 1.00 0.00 C ATOM 75 CE1 PHE A 5 -5.163 -11.600 6.494 1.00 0.00 C ATOM 76 CE2 PHE A 5 -6.226 -9.421 6.359 1.00 0.00 C ATOM 77 CZ PHE A 5 -6.248 -10.793 6.110 1.00 0.00 C ATOM 0 H PHE A 5 -2.003 -11.140 8.818 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.519 -9.750 6.513 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.956 -9.153 9.141 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.911 -7.914 7.902 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.218 -11.637 7.428 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.110 -7.783 7.180 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.184 -12.662 6.300 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.062 -8.805 6.064 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.102 -11.237 5.620 1.00 0.00 H new ATOM 87 N ASN A 6 -0.377 -8.170 9.197 1.00 0.00 N ATOM 88 CA ASN A 6 0.491 -7.096 9.647 1.00 0.00 C ATOM 89 C ASN A 6 1.895 -7.220 9.094 1.00 0.00 C ATOM 90 O ASN A 6 2.430 -6.249 8.587 1.00 0.00 O ATOM 91 CB ASN A 6 0.565 -7.108 11.167 1.00 0.00 C ATOM 92 CG ASN A 6 -0.836 -7.001 11.766 1.00 0.00 C ATOM 93 OD1 ASN A 6 -1.409 -5.914 11.824 1.00 0.00 O ATOM 94 ND2 ASN A 6 -1.430 -8.077 12.205 1.00 0.00 N ATOM 0 H ASN A 6 -0.845 -8.679 9.947 1.00 0.00 H new ATOM 0 HA ASN A 6 0.065 -6.161 9.282 1.00 0.00 H new ATOM 0 HB2 ASN A 6 1.044 -8.026 11.507 1.00 0.00 H new ATOM 0 HB3 ASN A 6 1.181 -6.279 11.515 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -2.370 -8.017 12.596 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -0.954 -8.978 12.157 1.00 0.00 H new ATOM 101 N LYS A 7 2.481 -8.411 9.174 1.00 0.00 N ATOM 102 CA LYS A 7 3.829 -8.614 8.669 1.00 0.00 C ATOM 103 C LYS A 7 3.909 -8.281 7.185 1.00 0.00 C ATOM 104 O LYS A 7 4.858 -7.640 6.739 1.00 0.00 O ATOM 105 CB LYS A 7 4.263 -10.057 8.926 1.00 0.00 C ATOM 106 CG LYS A 7 5.708 -10.290 8.437 1.00 0.00 C ATOM 107 CD LYS A 7 6.715 -9.623 9.395 1.00 0.00 C ATOM 108 CE LYS A 7 7.187 -8.275 8.828 1.00 0.00 C ATOM 109 NZ LYS A 7 7.792 -8.476 7.480 1.00 0.00 N ATOM 0 H LYS A 7 2.047 -9.240 9.580 1.00 0.00 H new ATOM 0 HA LYS A 7 4.507 -7.942 9.195 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.195 -10.278 9.991 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.586 -10.742 8.415 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.909 -11.359 8.375 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.828 -9.884 7.433 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.252 -9.472 10.370 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.571 -10.280 9.547 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.346 -7.585 8.760 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.917 -7.823 9.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.501 -7.736 7.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 8.249 -9.410 7.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.049 -8.423 6.754 1.00 0.00 H new ATOM 123 N GLU A 8 2.893 -8.697 6.436 1.00 0.00 N ATOM 124 CA GLU A 8 2.845 -8.421 5.006 1.00 0.00 C ATOM 125 C GLU A 8 2.529 -6.945 4.775 1.00 0.00 C ATOM 126 O GLU A 8 3.047 -6.313 3.854 1.00 0.00 O ATOM 127 CB GLU A 8 1.767 -9.310 4.378 1.00 0.00 C ATOM 128 CG GLU A 8 1.815 -9.192 2.853 1.00 0.00 C ATOM 129 CD GLU A 8 3.122 -9.765 2.287 1.00 0.00 C ATOM 130 OE1 GLU A 8 3.614 -10.747 2.825 1.00 0.00 O ATOM 131 OE2 GLU A 8 3.606 -9.219 1.308 1.00 0.00 O ATOM 0 H GLU A 8 2.096 -9.224 6.794 1.00 0.00 H new ATOM 0 HA GLU A 8 3.809 -8.637 4.545 1.00 0.00 H new ATOM 0 HB2 GLU A 8 1.920 -10.347 4.676 1.00 0.00 H new ATOM 0 HB3 GLU A 8 0.783 -9.016 4.743 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.966 -9.721 2.419 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.720 -8.145 2.565 1.00 0.00 H new ATOM 138 N ARG A 9 1.669 -6.424 5.640 1.00 0.00 N ATOM 139 CA ARG A 9 1.241 -5.047 5.598 1.00 0.00 C ATOM 140 C ARG A 9 2.363 -4.095 5.980 1.00 0.00 C ATOM 141 O ARG A 9 2.405 -2.999 5.470 1.00 0.00 O ATOM 142 CB ARG A 9 0.015 -4.846 6.497 1.00 0.00 C ATOM 143 CG ARG A 9 -1.201 -5.500 5.819 1.00 0.00 C ATOM 144 CD ARG A 9 -2.443 -5.428 6.715 1.00 0.00 C ATOM 145 NE ARG A 9 -3.124 -4.144 6.551 1.00 0.00 N ATOM 146 CZ ARG A 9 -2.593 -3.014 7.000 1.00 0.00 C ATOM 147 NH1 ARG A 9 -2.460 -2.819 8.282 1.00 0.00 N ATOM 148 NH2 ARG A 9 -2.206 -2.100 6.159 1.00 0.00 N ATOM 0 H ARG A 9 1.248 -6.960 6.398 1.00 0.00 H new ATOM 0 HA ARG A 9 0.962 -4.813 4.571 1.00 0.00 H new ATOM 0 HB2 ARG A 9 0.187 -5.291 7.477 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.167 -3.783 6.657 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -1.404 -5.001 4.871 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -0.976 -6.541 5.589 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -3.125 -6.241 6.466 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.154 -5.562 7.757 1.00 0.00 H new ATOM 0 HE ARG A 9 -4.029 -4.117 6.080 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -2.764 -3.536 8.941 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.052 -1.950 8.626 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.311 -2.253 5.156 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.798 -1.231 6.503 1.00 0.00 H new ATOM 162 N VAL A 10 3.260 -4.514 6.880 1.00 0.00 N ATOM 163 CA VAL A 10 4.373 -3.647 7.304 1.00 0.00 C ATOM 164 C VAL A 10 5.218 -3.341 6.097 1.00 0.00 C ATOM 165 O VAL A 10 5.618 -2.205 5.834 1.00 0.00 O ATOM 166 CB VAL A 10 5.322 -4.324 8.313 1.00 0.00 C ATOM 167 CG1 VAL A 10 6.360 -3.291 8.797 1.00 0.00 C ATOM 168 CG2 VAL A 10 4.566 -4.898 9.512 1.00 0.00 C ATOM 0 H VAL A 10 3.242 -5.432 7.324 1.00 0.00 H new ATOM 0 HA VAL A 10 3.924 -2.769 7.768 1.00 0.00 H new ATOM 0 HB VAL A 10 5.817 -5.155 7.811 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.036 -3.761 9.511 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.932 -2.923 7.945 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.847 -2.458 9.277 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.273 -5.366 10.198 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.037 -4.096 10.027 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.848 -5.642 9.167 1.00 0.00 H new ATOM 178 N ILE A 11 5.495 -4.407 5.390 1.00 0.00 N ATOM 179 CA ILE A 11 6.296 -4.355 4.208 1.00 0.00 C ATOM 180 C ILE A 11 5.611 -3.483 3.173 1.00 0.00 C ATOM 181 O ILE A 11 6.220 -2.606 2.571 1.00 0.00 O ATOM 182 CB ILE A 11 6.431 -5.785 3.682 1.00 0.00 C ATOM 183 CG1 ILE A 11 7.088 -6.673 4.757 1.00 0.00 C ATOM 184 CG2 ILE A 11 7.267 -5.801 2.403 1.00 0.00 C ATOM 185 CD1 ILE A 11 6.930 -8.148 4.366 1.00 0.00 C ATOM 0 H ILE A 11 5.164 -5.342 5.627 1.00 0.00 H new ATOM 0 HA ILE A 11 7.279 -3.933 4.420 1.00 0.00 H new ATOM 0 HB ILE A 11 5.439 -6.175 3.453 1.00 0.00 H new ATOM 0 HG12 ILE A 11 8.144 -6.423 4.855 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.626 -6.491 5.727 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.355 -6.825 2.039 1.00 0.00 H new ATOM 0 HG22 ILE A 11 6.783 -5.187 1.644 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.260 -5.403 2.612 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.394 -8.777 5.125 1.00 0.00 H new ATOM 0 HD12 ILE A 11 5.871 -8.393 4.290 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.413 -8.323 3.405 1.00 0.00 H new ATOM 197 N ALA A 12 4.335 -3.770 2.983 1.00 0.00 N ATOM 198 CA ALA A 12 3.507 -3.077 2.014 1.00 0.00 C ATOM 199 C ALA A 12 3.191 -1.637 2.399 1.00 0.00 C ATOM 200 O ALA A 12 3.335 -0.733 1.581 1.00 0.00 O ATOM 201 CB ALA A 12 2.222 -3.854 1.890 1.00 0.00 C ATOM 0 H ALA A 12 3.841 -4.497 3.502 1.00 0.00 H new ATOM 0 HA ALA A 12 4.056 -3.023 1.074 1.00 0.00 H new ATOM 0 HB1 ALA A 12 1.569 -3.364 1.168 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.441 -4.867 1.553 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.726 -3.894 2.860 1.00 0.00 H new ATOM 207 N ILE A 13 2.773 -1.419 3.643 1.00 0.00 N ATOM 208 CA ILE A 13 2.470 -0.081 4.103 1.00 0.00 C ATOM 209 C ILE A 13 3.740 0.734 4.010 1.00 0.00 C ATOM 210 O ILE A 13 3.729 1.891 3.629 1.00 0.00 O ATOM 211 CB ILE A 13 1.955 -0.107 5.557 1.00 0.00 C ATOM 212 CG1 ILE A 13 1.402 1.285 5.920 1.00 0.00 C ATOM 213 CG2 ILE A 13 3.092 -0.507 6.518 1.00 0.00 C ATOM 214 CD1 ILE A 13 1.786 1.676 7.347 1.00 0.00 C ATOM 0 H ILE A 13 2.639 -2.151 4.341 1.00 0.00 H new ATOM 0 HA ILE A 13 1.687 0.360 3.487 1.00 0.00 H new ATOM 0 HB ILE A 13 1.159 -0.845 5.650 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.788 2.026 5.220 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.317 1.286 5.819 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.716 -0.522 7.541 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.461 -1.498 6.253 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.905 0.215 6.441 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.382 2.662 7.575 1.00 0.00 H new ATOM 0 HD12 ILE A 13 1.378 0.946 8.046 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.872 1.698 7.438 1.00 0.00 H new ATOM 226 N GLY A 14 4.841 0.075 4.337 1.00 0.00 N ATOM 227 CA GLY A 14 6.138 0.685 4.282 1.00 0.00 C ATOM 228 C GLY A 14 6.477 1.015 2.835 1.00 0.00 C ATOM 229 O GLY A 14 7.083 2.053 2.556 1.00 0.00 O ATOM 0 H GLY A 14 4.849 -0.897 4.646 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.152 1.592 4.887 1.00 0.00 H new ATOM 0 HA3 GLY A 14 6.887 0.012 4.699 1.00 0.00 H new ATOM 233 N GLU A 15 6.061 0.133 1.906 1.00 0.00 N ATOM 234 CA GLU A 15 6.317 0.368 0.494 1.00 0.00 C ATOM 235 C GLU A 15 5.449 1.513 -0.016 1.00 0.00 C ATOM 236 O GLU A 15 5.916 2.403 -0.728 1.00 0.00 O ATOM 237 CB GLU A 15 5.934 -0.875 -0.325 1.00 0.00 C ATOM 238 CG GLU A 15 6.881 -2.050 -0.058 1.00 0.00 C ATOM 239 CD GLU A 15 7.640 -2.411 -1.338 1.00 0.00 C ATOM 240 OE1 GLU A 15 8.578 -1.703 -1.669 1.00 0.00 O ATOM 241 OE2 GLU A 15 7.266 -3.385 -1.973 1.00 0.00 O ATOM 0 H GLU A 15 5.557 -0.729 2.113 1.00 0.00 H new ATOM 0 HA GLU A 15 7.376 0.602 0.384 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.913 -1.169 -0.082 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.951 -0.629 -1.387 1.00 0.00 H new ATOM 0 HG2 GLU A 15 7.586 -1.788 0.731 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.314 -2.912 0.294 1.00 0.00 H new ATOM 248 N ILE A 16 4.170 1.446 0.342 1.00 0.00 N ATOM 249 CA ILE A 16 3.192 2.434 -0.081 1.00 0.00 C ATOM 250 C ILE A 16 3.374 3.798 0.590 1.00 0.00 C ATOM 251 O ILE A 16 3.218 4.839 -0.048 1.00 0.00 O ATOM 252 CB ILE A 16 1.790 1.844 0.114 1.00 0.00 C ATOM 253 CG1 ILE A 16 1.593 0.820 -1.009 1.00 0.00 C ATOM 254 CG2 ILE A 16 0.673 2.912 0.048 1.00 0.00 C ATOM 255 CD1 ILE A 16 0.438 -0.113 -0.694 1.00 0.00 C ATOM 0 H ILE A 16 3.787 0.707 0.931 1.00 0.00 H new ATOM 0 HA ILE A 16 3.343 2.649 -1.139 1.00 0.00 H new ATOM 0 HB ILE A 16 1.720 1.397 1.106 1.00 0.00 H new ATOM 0 HG12 ILE A 16 1.402 1.337 -1.949 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.507 0.241 -1.144 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.296 2.434 0.193 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.832 3.654 0.830 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.694 3.401 -0.926 1.00 0.00 H new ATOM 0 HD11 ILE A 16 0.318 -0.830 -1.506 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.644 -0.646 0.234 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.478 0.467 -0.584 1.00 0.00 H new ATOM 267 N MET A 17 3.694 3.787 1.874 1.00 0.00 N ATOM 268 CA MET A 17 3.887 5.028 2.622 1.00 0.00 C ATOM 269 C MET A 17 5.062 5.834 2.054 1.00 0.00 C ATOM 270 O MET A 17 5.144 7.047 2.258 1.00 0.00 O ATOM 271 CB MET A 17 4.105 4.712 4.110 1.00 0.00 C ATOM 272 CG MET A 17 2.764 4.309 4.748 1.00 0.00 C ATOM 273 SD MET A 17 1.645 5.727 4.841 1.00 0.00 S ATOM 274 CE MET A 17 0.097 4.778 4.790 1.00 0.00 C ATOM 0 H MET A 17 3.826 2.937 2.423 1.00 0.00 H new ATOM 0 HA MET A 17 2.990 5.640 2.522 1.00 0.00 H new ATOM 0 HB2 MET A 17 4.830 3.905 4.220 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.517 5.582 4.621 1.00 0.00 H new ATOM 0 HG2 MET A 17 2.302 3.514 4.163 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.937 3.910 5.748 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.746 5.447 4.961 1.00 0.00 H new ATOM 0 HE2 MET A 17 -0.008 4.305 3.814 1.00 0.00 H new ATOM 0 HE3 MET A 17 0.114 4.012 5.565 1.00 0.00 H new ATOM 284 N ARG A 18 5.956 5.152 1.328 1.00 0.00 N ATOM 285 CA ARG A 18 7.112 5.802 0.715 1.00 0.00 C ATOM 286 C ARG A 18 6.672 6.693 -0.444 1.00 0.00 C ATOM 287 O ARG A 18 7.252 7.753 -0.685 1.00 0.00 O ATOM 288 CB ARG A 18 8.075 4.723 0.201 1.00 0.00 C ATOM 289 CG ARG A 18 9.297 5.365 -0.469 1.00 0.00 C ATOM 290 CD ARG A 18 10.205 4.267 -1.027 1.00 0.00 C ATOM 291 NE ARG A 18 11.421 4.852 -1.588 1.00 0.00 N ATOM 292 CZ ARG A 18 12.490 5.079 -0.833 1.00 0.00 C ATOM 293 NH1 ARG A 18 12.578 6.180 -0.145 1.00 0.00 N ATOM 294 NH2 ARG A 18 13.450 4.200 -0.782 1.00 0.00 N ATOM 0 H ARG A 18 5.897 4.149 1.153 1.00 0.00 H new ATOM 0 HA ARG A 18 7.610 6.424 1.459 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.397 4.091 1.029 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.560 4.078 -0.511 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.978 6.031 -1.271 1.00 0.00 H new ATOM 0 HG3 ARG A 18 9.844 5.973 0.252 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.463 3.562 -0.236 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.676 3.704 -1.796 1.00 0.00 H new ATOM 0 HE ARG A 18 11.449 5.091 -2.579 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.826 6.868 -0.186 1.00 0.00 H new ATOM 0 HH12 ARG A 18 13.399 6.355 0.435 1.00 0.00 H new ATOM 0 HH21 ARG A 18 13.381 3.337 -1.322 1.00 0.00 H new ATOM 0 HH22 ARG A 18 14.271 4.374 -0.202 1.00 0.00 H new ATOM 308 N LEU A 19 5.660 6.215 -1.164 1.00 0.00 N ATOM 309 CA LEU A 19 5.117 6.895 -2.339 1.00 0.00 C ATOM 310 C LEU A 19 4.863 8.393 -2.105 1.00 0.00 C ATOM 311 O LEU A 19 3.891 8.769 -1.445 1.00 0.00 O ATOM 312 CB LEU A 19 3.813 6.208 -2.741 1.00 0.00 C ATOM 313 CG LEU A 19 4.034 4.688 -2.826 1.00 0.00 C ATOM 314 CD1 LEU A 19 2.712 3.981 -3.105 1.00 0.00 C ATOM 315 CD2 LEU A 19 5.044 4.378 -3.929 1.00 0.00 C ATOM 0 H LEU A 19 5.189 5.337 -0.947 1.00 0.00 H new ATOM 0 HA LEU A 19 5.860 6.827 -3.134 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.033 6.432 -2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.471 6.590 -3.703 1.00 0.00 H new ATOM 0 HG LEU A 19 4.425 4.328 -1.874 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.880 2.906 -3.163 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.008 4.195 -2.301 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.302 4.336 -4.051 1.00 0.00 H new ATOM 0 HD21 LEU A 19 5.199 3.301 -3.988 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.664 4.742 -4.883 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.991 4.869 -3.704 1.00 0.00 H new ATOM 327 N PRO A 20 5.712 9.247 -2.651 1.00 0.00 N ATOM 328 CA PRO A 20 5.573 10.729 -2.519 1.00 0.00 C ATOM 329 C PRO A 20 4.522 11.287 -3.480 1.00 0.00 C ATOM 330 O PRO A 20 4.085 12.431 -3.348 1.00 0.00 O ATOM 331 CB PRO A 20 6.946 11.286 -2.941 1.00 0.00 C ATOM 332 CG PRO A 20 7.794 10.123 -3.358 1.00 0.00 C ATOM 333 CD PRO A 20 6.896 8.892 -3.446 1.00 0.00 C ATOM 0 HA PRO A 20 5.270 11.000 -1.508 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.837 11.995 -3.762 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.412 11.824 -2.115 1.00 0.00 H new ATOM 0 HG2 PRO A 20 8.265 10.321 -4.321 1.00 0.00 H new ATOM 0 HG3 PRO A 20 8.596 9.959 -2.638 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.629 8.668 -4.479 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.393 8.008 -3.046 1.00 0.00 H new ATOM 341 N ASN A 21 4.184 10.482 -4.487 1.00 0.00 N ATOM 342 CA ASN A 21 3.255 10.895 -5.538 1.00 0.00 C ATOM 343 C ASN A 21 1.805 10.547 -5.210 1.00 0.00 C ATOM 344 O ASN A 21 0.952 10.479 -6.099 1.00 0.00 O ATOM 345 CB ASN A 21 3.687 10.228 -6.835 1.00 0.00 C ATOM 346 CG ASN A 21 5.174 10.480 -7.069 1.00 0.00 C ATOM 347 OD1 ASN A 21 6.017 9.885 -6.400 1.00 0.00 O ATOM 348 ND2 ASN A 21 5.555 11.318 -7.979 1.00 0.00 N ATOM 0 H ASN A 21 4.543 9.534 -4.597 1.00 0.00 H new ATOM 0 HA ASN A 21 3.290 11.981 -5.631 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.492 9.157 -6.787 1.00 0.00 H new ATOM 0 HB3 ASN A 21 3.105 10.621 -7.669 1.00 0.00 H new ATOM 0 HD21 ASN A 21 6.549 11.481 -8.138 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.861 11.815 -8.537 1.00 0.00 H new ATOM 355 N LEU A 22 1.537 10.326 -3.936 1.00 0.00 N ATOM 356 CA LEU A 22 0.195 9.995 -3.477 1.00 0.00 C ATOM 357 C LEU A 22 -0.173 10.852 -2.289 1.00 0.00 C ATOM 358 O LEU A 22 0.677 11.137 -1.441 1.00 0.00 O ATOM 359 CB LEU A 22 0.137 8.530 -3.051 1.00 0.00 C ATOM 360 CG LEU A 22 0.339 7.628 -4.265 1.00 0.00 C ATOM 361 CD1 LEU A 22 0.823 6.257 -3.806 1.00 0.00 C ATOM 362 CD2 LEU A 22 -0.984 7.472 -5.009 1.00 0.00 C ATOM 0 H LEU A 22 2.235 10.370 -3.194 1.00 0.00 H new ATOM 0 HA LEU A 22 -0.502 10.175 -4.295 1.00 0.00 H new ATOM 0 HB2 LEU A 22 0.906 8.328 -2.305 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.824 8.316 -2.584 1.00 0.00 H new ATOM 0 HG LEU A 22 1.081 8.074 -4.927 1.00 0.00 H new ATOM 0 HD11 LEU A 22 0.967 5.613 -4.673 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.768 6.364 -3.273 1.00 0.00 H new ATOM 0 HD13 LEU A 22 0.081 5.812 -3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.840 6.828 -5.876 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.725 7.026 -4.345 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -1.334 8.450 -5.338 1.00 0.00 H new ATOM 374 N ASN A 23 -1.451 11.200 -2.181 1.00 0.00 N ATOM 375 CA ASN A 23 -1.898 11.951 -1.022 1.00 0.00 C ATOM 376 C ASN A 23 -2.107 10.941 0.071 1.00 0.00 C ATOM 377 O ASN A 23 -2.204 9.741 -0.200 1.00 0.00 O ATOM 378 CB ASN A 23 -3.176 12.762 -1.300 1.00 0.00 C ATOM 379 CG ASN A 23 -4.113 12.015 -2.237 1.00 0.00 C ATOM 380 OD1 ASN A 23 -4.780 11.070 -1.823 1.00 0.00 O ATOM 381 ND2 ASN A 23 -4.198 12.389 -3.485 1.00 0.00 N ATOM 0 H ASN A 23 -2.176 10.980 -2.864 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.154 12.696 -0.739 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -3.688 12.971 -0.361 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -2.910 13.724 -1.739 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -4.822 11.896 -4.124 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -3.641 13.175 -3.821 1.00 0.00 H new ATOM 388 N SER A 24 -2.136 11.407 1.298 1.00 0.00 N ATOM 389 CA SER A 24 -2.282 10.506 2.419 1.00 0.00 C ATOM 390 C SER A 24 -3.448 9.561 2.212 1.00 0.00 C ATOM 391 O SER A 24 -3.384 8.417 2.594 1.00 0.00 O ATOM 392 CB SER A 24 -2.550 11.295 3.674 1.00 0.00 C ATOM 393 OG SER A 24 -1.522 12.259 3.864 1.00 0.00 O ATOM 0 H SER A 24 -2.061 12.394 1.545 1.00 0.00 H new ATOM 0 HA SER A 24 -1.358 9.935 2.505 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.518 11.791 3.603 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.597 10.625 4.533 1.00 0.00 H new ATOM 0 HG SER A 24 -1.701 12.771 4.680 1.00 0.00 H new ATOM 399 N LEU A 25 -4.507 10.057 1.612 1.00 0.00 N ATOM 400 CA LEU A 25 -5.690 9.251 1.387 1.00 0.00 C ATOM 401 C LEU A 25 -5.411 8.114 0.433 1.00 0.00 C ATOM 402 O LEU A 25 -5.824 6.999 0.707 1.00 0.00 O ATOM 403 CB LEU A 25 -6.822 10.131 0.872 1.00 0.00 C ATOM 404 CG LEU A 25 -7.014 11.378 1.782 1.00 0.00 C ATOM 405 CD1 LEU A 25 -6.857 11.023 3.267 1.00 0.00 C ATOM 406 CD2 LEU A 25 -5.999 12.473 1.423 1.00 0.00 C ATOM 0 H LEU A 25 -4.575 11.016 1.270 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.991 8.807 2.336 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.605 10.450 -0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.747 9.556 0.836 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.027 11.743 1.612 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.998 11.919 3.872 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.602 10.277 3.544 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.859 10.620 3.441 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.151 13.336 2.071 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.988 12.090 1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.138 12.771 0.384 1.00 0.00 H new ATOM 418 N GLN A 26 -4.682 8.370 -0.653 1.00 0.00 N ATOM 419 CA GLN A 26 -4.340 7.313 -1.573 1.00 0.00 C ATOM 420 C GLN A 26 -3.387 6.373 -0.886 1.00 0.00 C ATOM 421 O GLN A 26 -3.533 5.162 -0.930 1.00 0.00 O ATOM 422 CB GLN A 26 -3.684 7.897 -2.783 1.00 0.00 C ATOM 423 CG GLN A 26 -4.756 8.613 -3.602 1.00 0.00 C ATOM 424 CD GLN A 26 -4.143 9.622 -4.551 1.00 0.00 C ATOM 425 OE1 GLN A 26 -3.046 10.129 -4.317 1.00 0.00 O ATOM 426 NE2 GLN A 26 -4.806 9.949 -5.616 1.00 0.00 N ATOM 0 H GLN A 26 -4.326 9.292 -0.906 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.238 6.777 -1.880 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -2.898 8.594 -2.491 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.211 7.114 -3.376 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.332 7.882 -4.169 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -5.452 9.117 -2.932 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.714 9.524 -5.802 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -4.419 10.631 -6.268 1.00 0.00 H new ATOM 435 N VAL A 27 -2.439 6.988 -0.198 1.00 0.00 N ATOM 436 CA VAL A 27 -1.441 6.282 0.570 1.00 0.00 C ATOM 437 C VAL A 27 -2.154 5.387 1.571 1.00 0.00 C ATOM 438 O VAL A 27 -1.810 4.219 1.750 1.00 0.00 O ATOM 439 CB VAL A 27 -0.602 7.358 1.298 1.00 0.00 C ATOM 440 CG1 VAL A 27 0.110 6.807 2.525 1.00 0.00 C ATOM 441 CG2 VAL A 27 0.441 7.946 0.339 1.00 0.00 C ATOM 0 H VAL A 27 -2.345 8.003 -0.160 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.797 5.661 -0.052 1.00 0.00 H new ATOM 0 HB VAL A 27 -1.295 8.131 1.630 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.685 7.602 3.000 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.626 6.421 3.230 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.782 6.003 2.225 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.028 8.703 0.859 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.101 7.153 -0.011 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.064 8.401 -0.513 1.00 0.00 H new ATOM 451 N VAL A 28 -3.171 5.959 2.190 1.00 0.00 N ATOM 452 CA VAL A 28 -3.991 5.244 3.156 1.00 0.00 C ATOM 453 C VAL A 28 -4.898 4.247 2.472 1.00 0.00 C ATOM 454 O VAL A 28 -5.179 3.171 2.997 1.00 0.00 O ATOM 455 CB VAL A 28 -4.757 6.200 4.045 1.00 0.00 C ATOM 456 CG1 VAL A 28 -5.560 5.386 5.065 1.00 0.00 C ATOM 457 CG2 VAL A 28 -3.723 7.056 4.782 1.00 0.00 C ATOM 0 H VAL A 28 -3.452 6.928 2.039 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.325 4.675 3.805 1.00 0.00 H new ATOM 0 HB VAL A 28 -5.437 6.825 3.466 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.117 6.063 5.713 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.255 4.730 4.541 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.879 4.785 5.668 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.235 7.762 5.436 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.076 6.412 5.378 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.121 7.604 4.057 1.00 0.00 H new ATOM 467 N ALA A 29 -5.354 4.634 1.294 1.00 0.00 N ATOM 468 CA ALA A 29 -6.232 3.810 0.498 1.00 0.00 C ATOM 469 C ALA A 29 -5.583 2.475 0.317 1.00 0.00 C ATOM 470 O ALA A 29 -6.232 1.428 0.328 1.00 0.00 O ATOM 471 CB ALA A 29 -6.373 4.443 -0.868 1.00 0.00 C ATOM 0 H ALA A 29 -5.123 5.531 0.866 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.204 3.711 0.982 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.034 3.834 -1.485 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.794 5.443 -0.764 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.393 4.509 -1.341 1.00 0.00 H new ATOM 477 N PHE A 30 -4.277 2.540 0.179 1.00 0.00 N ATOM 478 CA PHE A 30 -3.498 1.381 0.031 1.00 0.00 C ATOM 479 C PHE A 30 -3.418 0.652 1.328 1.00 0.00 C ATOM 480 O PHE A 30 -3.510 -0.565 1.326 1.00 0.00 O ATOM 481 CB PHE A 30 -2.132 1.768 -0.435 1.00 0.00 C ATOM 482 CG PHE A 30 -2.198 1.960 -1.911 1.00 0.00 C ATOM 483 CD1 PHE A 30 -2.389 0.858 -2.744 1.00 0.00 C ATOM 484 CD2 PHE A 30 -2.111 3.236 -2.440 1.00 0.00 C ATOM 485 CE1 PHE A 30 -2.502 1.045 -4.113 1.00 0.00 C ATOM 486 CE2 PHE A 30 -2.220 3.431 -3.797 1.00 0.00 C ATOM 487 CZ PHE A 30 -2.426 2.334 -4.649 1.00 0.00 C ATOM 0 H PHE A 30 -3.746 3.411 0.169 1.00 0.00 H new ATOM 0 HA PHE A 30 -3.956 0.721 -0.706 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.805 2.684 0.056 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -1.407 0.994 -0.181 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.449 -0.136 -2.325 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.957 4.081 -1.785 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.649 0.196 -4.764 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.147 4.427 -4.207 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.525 2.485 -5.714 1.00 0.00 H new ATOM 497 N ILE A 31 -3.295 1.391 2.449 1.00 0.00 N ATOM 498 CA ILE A 31 -3.247 0.710 3.741 1.00 0.00 C ATOM 499 C ILE A 31 -4.502 -0.139 3.834 1.00 0.00 C ATOM 500 O ILE A 31 -4.490 -1.271 4.324 1.00 0.00 O ATOM 501 CB ILE A 31 -3.291 1.681 4.931 1.00 0.00 C ATOM 502 CG1 ILE A 31 -2.148 2.683 4.879 1.00 0.00 C ATOM 503 CG2 ILE A 31 -3.180 0.899 6.250 1.00 0.00 C ATOM 504 CD1 ILE A 31 -2.355 3.702 6.011 1.00 0.00 C ATOM 0 H ILE A 31 -3.230 2.408 2.482 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.316 0.145 3.792 1.00 0.00 H new ATOM 0 HB ILE A 31 -4.239 2.217 4.876 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.191 2.175 4.995 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.127 3.187 3.913 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.212 1.594 7.089 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -4.011 0.198 6.328 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.239 0.350 6.269 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.547 4.433 5.995 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.308 4.212 5.872 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.357 3.185 6.970 1.00 0.00 H new ATOM 516 N ASN A 32 -5.583 0.460 3.339 1.00 0.00 N ATOM 517 CA ASN A 32 -6.883 -0.178 3.334 1.00 0.00 C ATOM 518 C ASN A 32 -6.933 -1.367 2.384 1.00 0.00 C ATOM 519 O ASN A 32 -7.563 -2.376 2.688 1.00 0.00 O ATOM 520 CB ASN A 32 -7.926 0.868 2.940 1.00 0.00 C ATOM 521 CG ASN A 32 -8.351 1.676 4.163 1.00 0.00 C ATOM 522 OD1 ASN A 32 -9.050 1.166 5.037 1.00 0.00 O ATOM 523 ND2 ASN A 32 -7.961 2.914 4.278 1.00 0.00 N ATOM 0 H ASN A 32 -5.576 1.396 2.934 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.090 -0.568 4.330 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.515 1.533 2.180 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.794 0.378 2.499 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.235 3.461 5.094 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.381 3.336 3.552 1.00 0.00 H new ATOM 530 N SER A 33 -6.274 -1.253 1.236 1.00 0.00 N ATOM 531 CA SER A 33 -6.272 -2.336 0.273 1.00 0.00 C ATOM 532 C SER A 33 -5.518 -3.551 0.816 1.00 0.00 C ATOM 533 O SER A 33 -5.873 -4.691 0.514 1.00 0.00 O ATOM 534 CB SER A 33 -5.634 -1.866 -1.023 1.00 0.00 C ATOM 535 OG SER A 33 -6.262 -0.665 -1.453 1.00 0.00 O ATOM 0 H SER A 33 -5.741 -0.429 0.956 1.00 0.00 H new ATOM 0 HA SER A 33 -7.304 -2.633 0.085 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.567 -1.698 -0.876 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.733 -2.635 -1.789 1.00 0.00 H new ATOM 0 HG SER A 33 -6.059 0.055 -0.820 1.00 0.00 H new ATOM 541 N LEU A 34 -4.463 -3.296 1.602 1.00 0.00 N ATOM 542 CA LEU A 34 -3.654 -4.402 2.160 1.00 0.00 C ATOM 543 C LEU A 34 -4.505 -5.306 3.047 1.00 0.00 C ATOM 544 O LEU A 34 -4.441 -6.526 2.940 1.00 0.00 O ATOM 545 CB LEU A 34 -2.469 -3.911 3.020 1.00 0.00 C ATOM 546 CG LEU A 34 -1.840 -2.622 2.484 1.00 0.00 C ATOM 547 CD1 LEU A 34 -0.538 -2.323 3.237 1.00 0.00 C ATOM 548 CD2 LEU A 34 -1.537 -2.751 0.990 1.00 0.00 C ATOM 0 H LEU A 34 -4.151 -2.361 1.864 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.270 -4.941 1.294 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.812 -3.745 4.041 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.709 -4.691 3.062 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.549 -1.808 2.635 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.097 -1.405 2.850 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.751 -2.204 4.299 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.161 -3.148 3.098 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.091 -1.825 0.628 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.842 -3.576 0.829 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.462 -2.945 0.447 1.00 0.00 H new ATOM 560 N ARG A 35 -5.298 -4.700 3.925 1.00 0.00 N ATOM 561 CA ARG A 35 -6.161 -5.474 4.818 1.00 0.00 C ATOM 562 C ARG A 35 -7.307 -6.087 4.035 1.00 0.00 C ATOM 563 O ARG A 35 -7.729 -7.213 4.308 1.00 0.00 O ATOM 564 CB ARG A 35 -6.683 -4.602 5.960 1.00 0.00 C ATOM 565 CG ARG A 35 -7.502 -3.428 5.417 1.00 0.00 C ATOM 566 CD ARG A 35 -7.978 -2.542 6.574 1.00 0.00 C ATOM 567 NE ARG A 35 -8.892 -1.509 6.082 1.00 0.00 N ATOM 568 CZ ARG A 35 -9.976 -1.819 5.376 1.00 0.00 C ATOM 569 NH1 ARG A 35 -10.840 -2.674 5.844 1.00 0.00 N ATOM 570 NH2 ARG A 35 -10.171 -1.269 4.214 1.00 0.00 N ATOM 0 H ARG A 35 -5.363 -3.688 4.039 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.573 -6.280 5.258 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.299 -5.202 6.629 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -5.846 -4.226 6.548 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.898 -2.842 4.724 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.359 -3.800 4.856 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -8.479 -3.152 7.326 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.121 -2.077 7.061 1.00 0.00 H new ATOM 0 HE ARG A 35 -8.693 -0.529 6.285 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.686 -3.108 6.754 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -11.670 -2.910 5.300 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -9.494 -0.601 3.846 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.001 -1.505 3.671 1.00 0.00 H new ATOM 584 N ASP A 36 -7.770 -5.350 3.031 1.00 0.00 N ATOM 585 CA ASP A 36 -8.827 -5.826 2.165 1.00 0.00 C ATOM 586 C ASP A 36 -8.296 -7.003 1.362 1.00 0.00 C ATOM 587 O ASP A 36 -9.065 -7.814 0.840 1.00 0.00 O ATOM 588 CB ASP A 36 -9.289 -4.696 1.225 1.00 0.00 C ATOM 589 CG ASP A 36 -10.025 -3.591 1.999 1.00 0.00 C ATOM 590 OD1 ASP A 36 -10.527 -3.861 3.081 1.00 0.00 O ATOM 591 OD2 ASP A 36 -10.082 -2.484 1.488 1.00 0.00 O ATOM 0 H ASP A 36 -7.424 -4.418 2.801 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.685 -6.143 2.758 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -8.426 -4.271 0.713 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -9.946 -5.105 0.457 1.00 0.00 H new ATOM 596 N ASP A 37 -6.961 -7.077 1.276 1.00 0.00 N ATOM 597 CA ASP A 37 -6.302 -8.148 0.535 1.00 0.00 C ATOM 598 C ASP A 37 -4.781 -8.141 0.776 1.00 0.00 C ATOM 599 O ASP A 37 -4.040 -7.444 0.077 1.00 0.00 O ATOM 600 CB ASP A 37 -6.589 -7.981 -0.964 1.00 0.00 C ATOM 601 CG ASP A 37 -6.337 -9.297 -1.707 1.00 0.00 C ATOM 602 OD1 ASP A 37 -5.300 -9.901 -1.478 1.00 0.00 O ATOM 603 OD2 ASP A 37 -7.185 -9.682 -2.494 1.00 0.00 O ATOM 0 H ASP A 37 -6.324 -6.409 1.710 1.00 0.00 H new ATOM 0 HA ASP A 37 -6.695 -9.102 0.887 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.622 -7.666 -1.110 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.955 -7.196 -1.377 1.00 0.00 H new ATOM 608 N PRO A 38 -4.301 -8.908 1.739 1.00 0.00 N ATOM 609 CA PRO A 38 -2.842 -8.987 2.045 1.00 0.00 C ATOM 610 C PRO A 38 -2.081 -9.714 0.941 1.00 0.00 C ATOM 611 O PRO A 38 -0.907 -9.442 0.700 1.00 0.00 O ATOM 612 CB PRO A 38 -2.748 -9.751 3.372 1.00 0.00 C ATOM 613 CG PRO A 38 -4.145 -10.072 3.793 1.00 0.00 C ATOM 614 CD PRO A 38 -5.085 -9.776 2.624 1.00 0.00 C ATOM 0 HA PRO A 38 -2.393 -7.996 2.114 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.163 -10.663 3.251 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -2.246 -9.148 4.129 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.221 -11.120 4.084 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.424 -9.478 4.663 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.389 -10.691 2.116 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.996 -9.281 2.961 1.00 0.00 H new ATOM 622 N SER A 39 -2.774 -10.629 0.259 1.00 0.00 N ATOM 623 CA SER A 39 -2.173 -11.374 -0.838 1.00 0.00 C ATOM 624 C SER A 39 -1.797 -10.399 -1.941 1.00 0.00 C ATOM 625 O SER A 39 -0.809 -10.590 -2.653 1.00 0.00 O ATOM 626 CB SER A 39 -3.153 -12.421 -1.376 1.00 0.00 C ATOM 627 OG SER A 39 -3.681 -13.172 -0.290 1.00 0.00 O ATOM 0 H SER A 39 -3.747 -10.868 0.450 1.00 0.00 H new ATOM 0 HA SER A 39 -1.284 -11.893 -0.480 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.960 -11.933 -1.923 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.647 -13.083 -2.079 1.00 0.00 H new ATOM 0 HG SER A 39 -4.310 -13.842 -0.631 1.00 0.00 H new ATOM 633 N GLN A 40 -2.603 -9.341 -2.055 1.00 0.00 N ATOM 634 CA GLN A 40 -2.375 -8.309 -3.049 1.00 0.00 C ATOM 635 C GLN A 40 -1.554 -7.163 -2.470 1.00 0.00 C ATOM 636 O GLN A 40 -1.361 -6.153 -3.133 1.00 0.00 O ATOM 637 CB GLN A 40 -3.709 -7.774 -3.580 1.00 0.00 C ATOM 638 CG GLN A 40 -4.389 -8.847 -4.438 1.00 0.00 C ATOM 639 CD GLN A 40 -5.713 -8.329 -4.990 1.00 0.00 C ATOM 640 OE1 GLN A 40 -6.413 -7.558 -4.330 1.00 0.00 O ATOM 641 NE2 GLN A 40 -6.099 -8.705 -6.175 1.00 0.00 N ATOM 0 H GLN A 40 -3.420 -9.183 -1.465 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.815 -8.755 -3.871 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -4.357 -7.494 -2.749 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -3.542 -6.874 -4.171 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -3.733 -9.134 -5.260 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -4.562 -9.742 -3.841 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -5.520 -9.343 -6.721 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -6.980 -8.362 -6.557 1.00 0.00 H new ATOM 650 N SER A 41 -1.041 -7.331 -1.246 1.00 0.00 N ATOM 651 CA SER A 41 -0.221 -6.293 -0.622 1.00 0.00 C ATOM 652 C SER A 41 0.915 -5.956 -1.569 1.00 0.00 C ATOM 653 O SER A 41 1.318 -4.810 -1.683 1.00 0.00 O ATOM 654 CB SER A 41 0.350 -6.804 0.709 1.00 0.00 C ATOM 655 OG SER A 41 1.281 -7.841 0.429 1.00 0.00 O ATOM 0 H SER A 41 -1.178 -8.166 -0.676 1.00 0.00 H new ATOM 0 HA SER A 41 -0.825 -5.408 -0.423 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.837 -5.992 1.249 1.00 0.00 H new ATOM 0 HB3 SER A 41 -0.451 -7.176 1.348 1.00 0.00 H new ATOM 0 HG SER A 41 0.814 -8.702 0.406 1.00 0.00 H new ATOM 661 N ALA A 42 1.386 -6.994 -2.258 1.00 0.00 N ATOM 662 CA ALA A 42 2.455 -6.882 -3.237 1.00 0.00 C ATOM 663 C ALA A 42 1.986 -6.157 -4.501 1.00 0.00 C ATOM 664 O ALA A 42 2.733 -5.403 -5.123 1.00 0.00 O ATOM 665 CB ALA A 42 2.925 -8.280 -3.616 1.00 0.00 C ATOM 0 H ALA A 42 1.030 -7.943 -2.148 1.00 0.00 H new ATOM 0 HA ALA A 42 3.266 -6.305 -2.793 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.727 -8.208 -4.350 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.292 -8.794 -2.727 1.00 0.00 H new ATOM 0 HB3 ALA A 42 2.093 -8.841 -4.042 1.00 0.00 H new ATOM 671 N ASN A 43 0.743 -6.410 -4.872 1.00 0.00 N ATOM 672 CA ASN A 43 0.137 -5.802 -6.040 1.00 0.00 C ATOM 673 C ASN A 43 -0.173 -4.355 -5.778 1.00 0.00 C ATOM 674 O ASN A 43 -0.196 -3.521 -6.672 1.00 0.00 O ATOM 675 CB ASN A 43 -1.182 -6.482 -6.275 1.00 0.00 C ATOM 676 CG ASN A 43 -1.723 -6.209 -7.676 1.00 0.00 C ATOM 677 OD1 ASN A 43 -0.977 -5.841 -8.585 1.00 0.00 O ATOM 678 ND2 ASN A 43 -2.994 -6.371 -7.901 1.00 0.00 N ATOM 0 H ASN A 43 0.124 -7.046 -4.368 1.00 0.00 H new ATOM 0 HA ASN A 43 0.820 -5.895 -6.884 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.066 -7.557 -6.134 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.904 -6.139 -5.534 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.374 -6.193 -8.831 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -3.611 -6.676 -7.148 1.00 0.00 H new ATOM 685 N LEU A 44 -0.530 -4.120 -4.538 1.00 0.00 N ATOM 686 CA LEU A 44 -0.973 -2.822 -4.109 1.00 0.00 C ATOM 687 C LEU A 44 0.104 -1.784 -4.189 1.00 0.00 C ATOM 688 O LEU A 44 -0.161 -0.704 -4.689 1.00 0.00 O ATOM 689 CB LEU A 44 -1.586 -2.951 -2.733 1.00 0.00 C ATOM 690 CG LEU A 44 -2.902 -3.715 -2.920 1.00 0.00 C ATOM 691 CD1 LEU A 44 -3.388 -4.324 -1.608 1.00 0.00 C ATOM 692 CD2 LEU A 44 -3.945 -2.763 -3.485 1.00 0.00 C ATOM 0 H LEU A 44 -0.520 -4.825 -3.801 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.738 -2.458 -4.795 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.918 -3.486 -2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.765 -1.970 -2.293 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.736 -4.539 -3.614 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -4.323 -4.858 -1.779 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.638 -5.018 -1.229 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.551 -3.532 -0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.886 -3.295 -3.623 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.094 -1.934 -2.793 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.603 -2.377 -4.445 1.00 0.00 H new ATOM 704 N LEU A 45 1.331 -2.103 -3.793 1.00 0.00 N ATOM 705 CA LEU A 45 2.384 -1.101 -3.982 1.00 0.00 C ATOM 706 C LEU A 45 2.586 -1.005 -5.473 1.00 0.00 C ATOM 707 O LEU A 45 2.910 0.033 -5.992 1.00 0.00 O ATOM 708 CB LEU A 45 3.771 -1.310 -3.313 1.00 0.00 C ATOM 709 CG LEU A 45 3.862 -2.523 -2.410 1.00 0.00 C ATOM 710 CD1 LEU A 45 2.805 -2.457 -1.311 1.00 0.00 C ATOM 711 CD2 LEU A 45 3.728 -3.767 -3.268 1.00 0.00 C ATOM 0 H LEU A 45 1.615 -2.985 -3.366 1.00 0.00 H new ATOM 0 HA LEU A 45 2.019 -0.208 -3.474 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.526 -1.398 -4.094 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.016 -0.422 -2.731 1.00 0.00 H new ATOM 0 HG LEU A 45 4.827 -2.550 -1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.887 -3.337 -0.674 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.959 -1.559 -0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.813 -2.427 -1.762 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.791 -4.653 -2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.766 -3.754 -3.780 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.531 -3.789 -4.005 1.00 0.00 H new ATOM 723 N ALA A 46 2.370 -2.133 -6.153 1.00 0.00 N ATOM 724 CA ALA A 46 2.506 -2.183 -7.606 1.00 0.00 C ATOM 725 C ALA A 46 1.519 -1.200 -8.205 1.00 0.00 C ATOM 726 O ALA A 46 1.845 -0.426 -9.104 1.00 0.00 O ATOM 727 CB ALA A 46 2.170 -3.584 -8.110 1.00 0.00 C ATOM 0 H ALA A 46 2.102 -3.018 -5.722 1.00 0.00 H new ATOM 0 HA ALA A 46 3.528 -1.934 -7.892 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.273 -3.615 -9.195 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.852 -4.306 -7.660 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.145 -3.833 -7.836 1.00 0.00 H new ATOM 733 N GLU A 47 0.320 -1.231 -7.637 1.00 0.00 N ATOM 734 CA GLU A 47 -0.755 -0.352 -8.018 1.00 0.00 C ATOM 735 C GLU A 47 -0.387 1.053 -7.609 1.00 0.00 C ATOM 736 O GLU A 47 -0.476 1.993 -8.379 1.00 0.00 O ATOM 737 CB GLU A 47 -1.996 -0.783 -7.238 1.00 0.00 C ATOM 738 CG GLU A 47 -2.892 -1.678 -8.092 1.00 0.00 C ATOM 739 CD GLU A 47 -3.695 -2.620 -7.194 1.00 0.00 C ATOM 740 OE1 GLU A 47 -3.140 -3.625 -6.775 1.00 0.00 O ATOM 741 OE2 GLU A 47 -4.849 -2.321 -6.933 1.00 0.00 O ATOM 0 H GLU A 47 0.073 -1.880 -6.890 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.938 -0.392 -9.092 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.697 -1.316 -6.336 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.553 0.097 -6.918 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.568 -1.066 -8.689 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.285 -2.256 -8.789 1.00 0.00 H new ATOM 748 N ALA A 48 0.038 1.144 -6.366 1.00 0.00 N ATOM 749 CA ALA A 48 0.443 2.394 -5.752 1.00 0.00 C ATOM 750 C ALA A 48 1.580 3.033 -6.523 1.00 0.00 C ATOM 751 O ALA A 48 1.549 4.222 -6.819 1.00 0.00 O ATOM 752 CB ALA A 48 0.871 2.123 -4.326 1.00 0.00 C ATOM 0 H ALA A 48 0.113 0.340 -5.743 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.399 3.086 -5.763 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.178 3.057 -3.855 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.037 1.693 -3.771 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.707 1.424 -4.324 1.00 0.00 H new ATOM 758 N LYS A 49 2.562 2.222 -6.874 1.00 0.00 N ATOM 759 CA LYS A 49 3.684 2.700 -7.664 1.00 0.00 C ATOM 760 C LYS A 49 3.135 3.175 -9.003 1.00 0.00 C ATOM 761 O LYS A 49 3.599 4.170 -9.562 1.00 0.00 O ATOM 762 CB LYS A 49 4.723 1.583 -7.855 1.00 0.00 C ATOM 763 CG LYS A 49 5.485 1.355 -6.536 1.00 0.00 C ATOM 764 CD LYS A 49 6.420 0.144 -6.670 1.00 0.00 C ATOM 765 CE LYS A 49 6.995 -0.222 -5.295 1.00 0.00 C ATOM 766 NZ LYS A 49 7.959 -1.349 -5.439 1.00 0.00 N ATOM 0 H LYS A 49 2.606 1.234 -6.626 1.00 0.00 H new ATOM 0 HA LYS A 49 4.189 3.522 -7.156 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.229 0.662 -8.165 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.421 1.853 -8.648 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.062 2.244 -6.282 1.00 0.00 H new ATOM 0 HG3 LYS A 49 4.779 1.191 -5.722 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.875 -0.704 -7.084 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.229 0.372 -7.364 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.494 0.642 -4.857 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.190 -0.504 -4.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.347 -1.595 -4.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.470 -2.175 -5.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 8.734 -1.065 -6.072 1.00 0.00 H new ATOM 780 N LYS A 50 2.096 2.469 -9.481 1.00 0.00 N ATOM 781 CA LYS A 50 1.431 2.837 -10.723 1.00 0.00 C ATOM 782 C LYS A 50 0.662 4.134 -10.503 1.00 0.00 C ATOM 783 O LYS A 50 0.613 4.992 -11.374 1.00 0.00 O ATOM 784 CB LYS A 50 0.463 1.722 -11.160 1.00 0.00 C ATOM 785 CG LYS A 50 0.375 1.665 -12.693 1.00 0.00 C ATOM 786 CD LYS A 50 1.474 0.744 -13.249 1.00 0.00 C ATOM 787 CE LYS A 50 1.127 -0.726 -12.967 1.00 0.00 C ATOM 788 NZ LYS A 50 1.948 -1.605 -13.847 1.00 0.00 N ATOM 0 H LYS A 50 1.707 1.646 -9.022 1.00 0.00 H new ATOM 0 HA LYS A 50 2.175 2.975 -11.508 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.804 0.762 -10.772 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.526 1.903 -10.738 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -0.606 1.298 -12.996 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.483 2.667 -13.109 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.581 0.901 -14.322 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.432 0.993 -12.793 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.317 -0.962 -11.920 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.066 -0.902 -13.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.715 -2.601 -13.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.746 -1.385 -14.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.957 -1.443 -13.655 1.00 0.00 H new ATOM 802 N LEU A 51 0.079 4.256 -9.303 1.00 0.00 N ATOM 803 CA LEU A 51 -0.686 5.432 -8.910 1.00 0.00 C ATOM 804 C LEU A 51 0.237 6.622 -8.813 1.00 0.00 C ATOM 805 O LEU A 51 -0.074 7.712 -9.281 1.00 0.00 O ATOM 806 CB LEU A 51 -1.294 5.215 -7.522 1.00 0.00 C ATOM 807 CG LEU A 51 -2.730 4.679 -7.571 1.00 0.00 C ATOM 808 CD1 LEU A 51 -3.680 5.803 -8.010 1.00 0.00 C ATOM 809 CD2 LEU A 51 -2.835 3.451 -8.501 1.00 0.00 C ATOM 0 H LEU A 51 0.129 3.537 -8.581 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.467 5.601 -9.651 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.671 4.516 -6.964 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.283 6.158 -6.976 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.021 4.346 -6.575 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.701 5.423 -8.045 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.623 6.626 -7.298 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.391 6.158 -8.999 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.864 3.093 -8.516 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.534 3.732 -9.510 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.181 2.660 -8.134 1.00 0.00 H new ATOM 821 N ASN A 52 1.380 6.384 -8.181 1.00 0.00 N ATOM 822 CA ASN A 52 2.374 7.412 -7.993 1.00 0.00 C ATOM 823 C ASN A 52 2.818 7.913 -9.341 1.00 0.00 C ATOM 824 O ASN A 52 2.869 9.120 -9.594 1.00 0.00 O ATOM 825 CB ASN A 52 3.556 6.790 -7.200 1.00 0.00 C ATOM 826 CG ASN A 52 4.958 7.321 -7.601 1.00 0.00 C ATOM 827 OD1 ASN A 52 5.123 8.145 -8.496 1.00 0.00 O ATOM 828 ND2 ASN A 52 6.000 6.880 -6.975 1.00 0.00 N ATOM 0 H ASN A 52 1.635 5.477 -7.790 1.00 0.00 H new ATOM 0 HA ASN A 52 1.976 8.259 -7.434 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.402 6.978 -6.138 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.539 5.709 -7.338 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.928 7.217 -7.229 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.893 6.195 -6.227 1.00 0.00 H new ATOM 835 N ASP A 53 3.144 6.965 -10.196 1.00 0.00 N ATOM 836 CA ASP A 53 3.601 7.281 -11.515 1.00 0.00 C ATOM 837 C ASP A 53 2.482 7.916 -12.335 1.00 0.00 C ATOM 838 O ASP A 53 2.720 8.788 -13.172 1.00 0.00 O ATOM 839 CB ASP A 53 4.090 6.006 -12.212 1.00 0.00 C ATOM 840 CG ASP A 53 4.736 6.350 -13.553 1.00 0.00 C ATOM 841 OD1 ASP A 53 5.911 6.681 -13.557 1.00 0.00 O ATOM 842 OD2 ASP A 53 4.045 6.282 -14.557 1.00 0.00 O ATOM 0 H ASP A 53 3.097 5.967 -9.990 1.00 0.00 H new ATOM 0 HA ASP A 53 4.422 7.993 -11.436 1.00 0.00 H new ATOM 0 HB2 ASP A 53 4.809 5.489 -11.576 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.254 5.325 -12.368 1.00 0.00 H new ATOM 847 N ALA A 54 1.264 7.425 -12.105 1.00 0.00 N ATOM 848 CA ALA A 54 0.089 7.893 -12.845 1.00 0.00 C ATOM 849 C ALA A 54 -0.395 9.271 -12.432 1.00 0.00 C ATOM 850 O ALA A 54 -0.818 10.066 -13.275 1.00 0.00 O ATOM 851 CB ALA A 54 -1.049 6.932 -12.578 1.00 0.00 C ATOM 0 H ALA A 54 1.064 6.703 -11.412 1.00 0.00 H new ATOM 0 HA ALA A 54 0.385 7.944 -13.893 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.937 7.260 -13.119 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.768 5.933 -12.913 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.263 6.910 -11.509 1.00 0.00 H new ATOM 857 N GLN A 55 -0.380 9.527 -11.135 1.00 0.00 N ATOM 858 CA GLN A 55 -0.873 10.785 -10.614 1.00 0.00 C ATOM 859 C GLN A 55 0.163 11.865 -10.689 1.00 0.00 C ATOM 860 O GLN A 55 -0.114 12.974 -11.152 1.00 0.00 O ATOM 861 CB GLN A 55 -1.241 10.593 -9.157 1.00 0.00 C ATOM 862 CG GLN A 55 -2.472 9.701 -9.044 1.00 0.00 C ATOM 863 CD GLN A 55 -2.682 9.328 -7.590 1.00 0.00 C ATOM 864 OE1 GLN A 55 -3.523 8.495 -7.284 1.00 0.00 O ATOM 865 NE2 GLN A 55 -1.971 9.906 -6.666 1.00 0.00 N ATOM 0 H GLN A 55 -0.032 8.880 -10.427 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.732 11.084 -11.215 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.406 10.145 -8.618 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.438 11.559 -8.693 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -3.349 10.220 -9.430 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.342 8.803 -9.648 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.270 10.601 -6.922 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.115 9.664 -5.686 1.00 0.00 H new ATOM 874 N ALA A 56 1.345 11.532 -10.178 1.00 0.00 N ATOM 875 CA ALA A 56 2.445 12.496 -10.120 1.00 0.00 C ATOM 876 C ALA A 56 1.874 13.865 -9.684 1.00 0.00 C ATOM 877 O ALA A 56 1.931 14.837 -10.440 1.00 0.00 O ATOM 878 CB ALA A 56 3.121 12.588 -11.491 1.00 0.00 C ATOM 0 H ALA A 56 1.567 10.611 -9.801 1.00 0.00 H new ATOM 0 HA ALA A 56 3.197 12.178 -9.397 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.940 13.306 -11.446 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.512 11.610 -11.770 1.00 0.00 H new ATOM 0 HB3 ALA A 56 2.393 12.914 -12.234 1.00 0.00 H new ATOM 884 N PRO A 57 1.262 13.920 -8.499 1.00 0.00 N ATOM 885 CA PRO A 57 0.584 15.130 -7.945 1.00 0.00 C ATOM 886 C PRO A 57 1.300 16.437 -8.294 1.00 0.00 C ATOM 887 O PRO A 57 2.255 16.844 -7.628 1.00 0.00 O ATOM 888 CB PRO A 57 0.541 14.886 -6.421 1.00 0.00 C ATOM 889 CG PRO A 57 1.186 13.558 -6.199 1.00 0.00 C ATOM 890 CD PRO A 57 1.156 12.832 -7.540 1.00 0.00 C ATOM 0 HA PRO A 57 -0.409 15.257 -8.376 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.072 15.672 -5.885 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.485 14.887 -6.054 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.210 13.678 -5.846 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.651 12.989 -5.438 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.981 12.126 -7.636 1.00 0.00 H new ATOM 0 HD3 PRO A 57 0.235 12.265 -7.672 1.00 0.00 H new ATOM 898 N LYS A 58 0.825 17.070 -9.362 1.00 0.00 N ATOM 899 CA LYS A 58 1.402 18.323 -9.842 1.00 0.00 C ATOM 900 C LYS A 58 1.085 19.473 -8.881 1.00 0.00 C ATOM 901 O LYS A 58 -0.044 19.541 -8.416 1.00 0.00 O ATOM 902 CB LYS A 58 0.838 18.639 -11.232 1.00 0.00 C ATOM 903 CG LYS A 58 1.136 17.468 -12.176 1.00 0.00 C ATOM 904 CD LYS A 58 0.637 17.788 -13.588 1.00 0.00 C ATOM 905 CE LYS A 58 0.756 16.535 -14.462 1.00 0.00 C ATOM 906 NZ LYS A 58 -0.372 15.609 -14.159 1.00 0.00 N ATOM 907 OXT LYS A 58 1.974 20.268 -8.623 1.00 0.00 O ATOM 0 H LYS A 58 0.037 16.734 -9.915 1.00 0.00 H new ATOM 0 HA LYS A 58 2.485 18.212 -9.897 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.237 18.808 -11.171 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.284 19.556 -11.618 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.208 17.272 -12.197 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.653 16.563 -11.808 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.399 18.124 -13.553 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.221 18.602 -14.017 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.741 16.811 -15.516 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.708 16.038 -14.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.401 14.853 -14.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.235 15.191 -13.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.268 16.136 -14.177 1.00 0.00 H new TER 921 LYS A 58