USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 571 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 1 SER OG : rot -141:sc= -0.172 USER MOD Set 1.2: A 5 THR OG1 : rot 150:sc= -1.87! USER MOD Single : A 1 SER N :NH3+ -114:sc= 0.0982 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 ASN : amide:sc= -0.333 K(o=-0.33,f=-2.4!) USER MOD Single : A 8 GLN : amide:sc= -1.96 K(o=-2,f=-0.49) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 154:sc= -0.0558 (180deg=-0.608) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 24 ASN : amide:sc=-0.00483 K(o=-0.0048,f=-1.8!) USER MOD Single : A 26 SER OG : rot -98:sc= 0.994 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 91:sc= -0.127 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -136:sc= -5.42! (180deg=-5.83!) USER MOD Single : A 38 SER OG : rot 80:sc= 0.601 USER MOD Single : A 42 SER OG : rot -19:sc= -0.37 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.181 K(o=-0.18,f=-2.9!) USER MOD Single : A 52 MET CE :methyl -140:sc= -1.89 (180deg=-7.17!) USER MOD Single : A 53 ASN : amide:sc= -0.236 X(o=-0.24,f=0.0098) USER MOD Single : A 60 ASN : amide:sc= -0.259! K(o=-0.26!,f=-1.2) USER MOD Single : A 61 HIS : no HE2:sc= -13.8! C(o=-14!,f=-13!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot -102:sc= 0.101 USER MOD Single : A 72 MET CE :methyl -151:sc= -1.41 (180deg=-2.6!) USER MOD Single : A 73 SER OG : rot 87:sc= -2.38! USER MOD Single : A 75 GLN : amide:sc= -1.18 K(o=-1.2,f=-0.067) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -7.262 -6.745 -20.399 1.00 0.00 N ATOM 2 CA SER A 1 -8.719 -6.484 -20.583 1.00 0.00 C ATOM 3 C SER A 1 -8.963 -4.992 -20.826 1.00 0.00 C ATOM 4 O SER A 1 -8.080 -4.173 -20.659 1.00 0.00 O ATOM 5 CB SER A 1 -9.368 -6.926 -19.273 1.00 0.00 C ATOM 6 OG SER A 1 -10.685 -6.395 -19.198 1.00 0.00 O ATOM 0 H1 SER A 1 -6.910 -7.323 -21.189 1.00 0.00 H new ATOM 0 H2 SER A 1 -6.748 -5.841 -20.376 1.00 0.00 H new ATOM 0 H3 SER A 1 -7.111 -7.253 -19.504 1.00 0.00 H new ATOM 0 HA SER A 1 -9.129 -7.016 -21.441 1.00 0.00 H new ATOM 0 HB2 SER A 1 -9.399 -8.014 -19.218 1.00 0.00 H new ATOM 0 HB3 SER A 1 -8.776 -6.581 -18.426 1.00 0.00 H new ATOM 0 HG SER A 1 -10.869 -6.106 -18.280 1.00 0.00 H new ATOM 14 N SER A 2 -10.154 -4.633 -21.219 1.00 0.00 N ATOM 15 CA SER A 2 -10.452 -3.194 -21.472 1.00 0.00 C ATOM 16 C SER A 2 -10.093 -2.354 -20.243 1.00 0.00 C ATOM 17 O SER A 2 -9.723 -1.203 -20.352 1.00 0.00 O ATOM 18 CB SER A 2 -11.957 -3.141 -21.736 1.00 0.00 C ATOM 19 OG SER A 2 -12.414 -1.804 -21.586 1.00 0.00 O ATOM 0 H SER A 2 -10.933 -5.272 -21.376 1.00 0.00 H new ATOM 0 HA SER A 2 -9.877 -2.795 -22.308 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.174 -3.501 -22.742 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.483 -3.797 -21.042 1.00 0.00 H new ATOM 0 HG SER A 2 -13.378 -1.767 -21.756 1.00 0.00 H new ATOM 25 N ASN A 3 -10.201 -2.924 -19.073 1.00 0.00 N ATOM 26 CA ASN A 3 -9.865 -2.158 -17.839 1.00 0.00 C ATOM 27 C ASN A 3 -9.863 -3.089 -16.623 1.00 0.00 C ATOM 28 O ASN A 3 -10.811 -3.137 -15.865 1.00 0.00 O ATOM 29 CB ASN A 3 -10.972 -1.110 -17.709 1.00 0.00 C ATOM 30 CG ASN A 3 -10.572 -0.073 -16.659 1.00 0.00 C ATOM 31 OD1 ASN A 3 -10.115 -0.419 -15.588 1.00 0.00 O ATOM 32 ND2 ASN A 3 -10.726 1.197 -16.922 1.00 0.00 N ATOM 0 H ASN A 3 -10.507 -3.885 -18.919 1.00 0.00 H new ATOM 0 HA ASN A 3 -8.876 -1.702 -17.892 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -11.142 -0.624 -18.670 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -11.909 -1.589 -17.424 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -10.463 1.897 -16.228 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -11.110 1.489 -17.821 1.00 0.00 H new ATOM 39 N LEU A 4 -8.805 -3.829 -16.433 1.00 0.00 N ATOM 40 CA LEU A 4 -8.743 -4.756 -15.266 1.00 0.00 C ATOM 41 C LEU A 4 -9.916 -5.740 -15.310 1.00 0.00 C ATOM 42 O LEU A 4 -10.822 -5.606 -16.109 1.00 0.00 O ATOM 43 CB LEU A 4 -8.846 -3.853 -14.038 1.00 0.00 C ATOM 44 CG LEU A 4 -7.868 -4.337 -12.965 1.00 0.00 C ATOM 45 CD1 LEU A 4 -6.434 -4.072 -13.423 1.00 0.00 C ATOM 46 CD2 LEU A 4 -8.133 -3.585 -11.659 1.00 0.00 C ATOM 0 H LEU A 4 -7.981 -3.832 -17.034 1.00 0.00 H new ATOM 0 HA LEU A 4 -7.830 -5.351 -15.258 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.621 -2.822 -14.312 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.864 -3.865 -13.649 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.005 -5.406 -12.804 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.738 -4.417 -12.658 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.245 -4.607 -14.354 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.295 -3.003 -13.584 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.437 -3.929 -10.894 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -7.996 -2.516 -11.821 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.155 -3.774 -11.331 1.00 0.00 H new ATOM 58 N THR A 5 -9.907 -6.727 -14.457 1.00 0.00 N ATOM 59 CA THR A 5 -11.022 -7.718 -14.450 1.00 0.00 C ATOM 60 C THR A 5 -11.035 -8.489 -13.127 1.00 0.00 C ATOM 61 O THR A 5 -10.359 -8.132 -12.182 1.00 0.00 O ATOM 62 CB THR A 5 -10.720 -8.661 -15.617 1.00 0.00 C ATOM 63 OG1 THR A 5 -9.998 -7.956 -16.617 1.00 0.00 O ATOM 64 CG2 THR A 5 -12.032 -9.183 -16.205 1.00 0.00 C ATOM 0 H THR A 5 -9.176 -6.891 -13.764 1.00 0.00 H new ATOM 0 HA THR A 5 -11.998 -7.243 -14.551 1.00 0.00 H new ATOM 0 HB THR A 5 -10.124 -9.502 -15.262 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.409 -8.577 -17.094 1.00 0.00 H new ATOM 0 HG21 THR A 5 -11.817 -9.855 -17.036 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.586 -9.723 -15.437 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.630 -8.344 -16.562 1.00 0.00 H new ATOM 72 N GLU A 6 -11.801 -9.543 -13.052 1.00 0.00 N ATOM 73 CA GLU A 6 -11.857 -10.335 -11.789 1.00 0.00 C ATOM 74 C GLU A 6 -10.475 -10.905 -11.460 1.00 0.00 C ATOM 75 O GLU A 6 -9.859 -10.538 -10.480 1.00 0.00 O ATOM 76 CB GLU A 6 -12.850 -11.463 -12.074 1.00 0.00 C ATOM 77 CG GLU A 6 -14.234 -11.067 -11.557 1.00 0.00 C ATOM 78 CD GLU A 6 -15.144 -12.297 -11.541 1.00 0.00 C ATOM 79 OE1 GLU A 6 -14.699 -13.332 -11.073 1.00 0.00 O ATOM 80 OE2 GLU A 6 -16.270 -12.183 -11.996 1.00 0.00 O ATOM 0 H GLU A 6 -12.390 -9.890 -13.809 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.161 -9.730 -10.935 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.893 -11.662 -13.145 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -12.520 -12.383 -11.592 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.153 -10.648 -10.554 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.663 -10.292 -12.192 1.00 0.00 H new ATOM 87 N GLU A 7 -9.983 -11.801 -12.273 1.00 0.00 N ATOM 88 CA GLU A 7 -8.641 -12.393 -12.005 1.00 0.00 C ATOM 89 C GLU A 7 -7.611 -11.285 -11.773 1.00 0.00 C ATOM 90 O GLU A 7 -6.771 -11.379 -10.900 1.00 0.00 O ATOM 91 CB GLU A 7 -8.301 -13.187 -13.266 1.00 0.00 C ATOM 92 CG GLU A 7 -8.198 -14.675 -12.922 1.00 0.00 C ATOM 93 CD GLU A 7 -7.624 -15.438 -14.117 1.00 0.00 C ATOM 94 OE1 GLU A 7 -6.954 -14.816 -14.925 1.00 0.00 O ATOM 95 OE2 GLU A 7 -7.865 -16.630 -14.204 1.00 0.00 O ATOM 0 H GLU A 7 -10.452 -12.148 -13.110 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.636 -13.021 -11.114 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.068 -13.031 -14.024 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.360 -12.835 -13.687 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.561 -14.814 -12.049 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.181 -15.068 -12.665 1.00 0.00 H new ATOM 102 N GLN A 8 -7.668 -10.235 -12.546 1.00 0.00 N ATOM 103 CA GLN A 8 -6.691 -9.124 -12.365 1.00 0.00 C ATOM 104 C GLN A 8 -6.708 -8.639 -10.914 1.00 0.00 C ATOM 105 O GLN A 8 -5.716 -8.704 -10.216 1.00 0.00 O ATOM 106 CB GLN A 8 -7.169 -8.018 -13.307 1.00 0.00 C ATOM 107 CG GLN A 8 -5.965 -7.386 -14.007 1.00 0.00 C ATOM 108 CD GLN A 8 -6.114 -7.542 -15.522 1.00 0.00 C ATOM 109 OE1 GLN A 8 -6.315 -8.634 -16.015 1.00 0.00 O ATOM 110 NE2 GLN A 8 -6.023 -6.487 -16.286 1.00 0.00 N ATOM 0 H GLN A 8 -8.348 -10.098 -13.294 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.669 -9.432 -12.585 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -7.858 -8.428 -14.045 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.716 -7.260 -12.746 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -5.892 -6.330 -13.745 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.044 -7.863 -13.671 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -5.854 -5.570 -15.872 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.121 -6.580 -17.297 1.00 0.00 H new ATOM 119 N ILE A 9 -7.829 -8.155 -10.453 1.00 0.00 N ATOM 120 CA ILE A 9 -7.908 -7.669 -9.047 1.00 0.00 C ATOM 121 C ILE A 9 -7.379 -8.741 -8.091 1.00 0.00 C ATOM 122 O ILE A 9 -6.769 -8.444 -7.083 1.00 0.00 O ATOM 123 CB ILE A 9 -9.394 -7.415 -8.798 1.00 0.00 C ATOM 124 CG1 ILE A 9 -9.892 -6.330 -9.756 1.00 0.00 C ATOM 125 CG2 ILE A 9 -9.599 -6.950 -7.354 1.00 0.00 C ATOM 126 CD1 ILE A 9 -11.365 -6.029 -9.468 1.00 0.00 C ATOM 0 H ILE A 9 -8.693 -8.075 -10.989 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.310 -6.772 -8.884 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.952 -8.336 -8.966 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.296 -5.425 -9.639 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.772 -6.659 -10.788 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.659 -6.769 -7.177 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.243 -7.720 -6.670 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.041 -6.029 -7.186 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.719 -5.256 -10.151 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.955 -6.935 -9.608 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.471 -5.682 -8.440 1.00 0.00 H new ATOM 138 N ALA A 10 -7.609 -9.987 -8.401 1.00 0.00 N ATOM 139 CA ALA A 10 -7.119 -11.080 -7.512 1.00 0.00 C ATOM 140 C ALA A 10 -5.591 -11.039 -7.419 1.00 0.00 C ATOM 141 O ALA A 10 -5.029 -10.800 -6.367 1.00 0.00 O ATOM 142 CB ALA A 10 -7.581 -12.374 -8.184 1.00 0.00 C ATOM 0 H ALA A 10 -8.115 -10.296 -9.231 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.502 -10.990 -6.496 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.258 -13.228 -7.589 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.668 -12.376 -8.261 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.146 -12.441 -9.181 1.00 0.00 H new ATOM 148 N GLU A 11 -4.915 -11.267 -8.511 1.00 0.00 N ATOM 149 CA GLU A 11 -3.424 -11.239 -8.484 1.00 0.00 C ATOM 150 C GLU A 11 -2.935 -9.985 -7.754 1.00 0.00 C ATOM 151 O GLU A 11 -1.933 -10.005 -7.066 1.00 0.00 O ATOM 152 CB GLU A 11 -3.001 -11.204 -9.953 1.00 0.00 C ATOM 153 CG GLU A 11 -2.565 -12.603 -10.392 1.00 0.00 C ATOM 154 CD GLU A 11 -1.188 -12.524 -11.055 1.00 0.00 C ATOM 155 OE1 GLU A 11 -0.205 -12.540 -10.333 1.00 0.00 O ATOM 156 OE2 GLU A 11 -1.142 -12.450 -12.271 1.00 0.00 O ATOM 0 H GLU A 11 -5.329 -11.471 -9.420 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.003 -12.097 -7.960 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.828 -10.858 -10.573 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.183 -10.497 -10.090 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.528 -13.271 -9.531 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.292 -13.020 -11.088 1.00 0.00 H new ATOM 163 N PHE A 12 -3.637 -8.894 -7.897 1.00 0.00 N ATOM 164 CA PHE A 12 -3.215 -7.640 -7.210 1.00 0.00 C ATOM 165 C PHE A 12 -3.271 -7.828 -5.692 1.00 0.00 C ATOM 166 O PHE A 12 -2.344 -7.495 -4.981 1.00 0.00 O ATOM 167 CB PHE A 12 -4.224 -6.583 -7.658 1.00 0.00 C ATOM 168 CG PHE A 12 -3.828 -6.049 -9.014 1.00 0.00 C ATOM 169 CD1 PHE A 12 -3.628 -6.932 -10.083 1.00 0.00 C ATOM 170 CD2 PHE A 12 -3.663 -4.672 -9.202 1.00 0.00 C ATOM 171 CE1 PHE A 12 -3.263 -6.435 -11.340 1.00 0.00 C ATOM 172 CE2 PHE A 12 -3.298 -4.176 -10.459 1.00 0.00 C ATOM 173 CZ PHE A 12 -3.098 -5.057 -11.529 1.00 0.00 C ATOM 0 H PHE A 12 -4.484 -8.817 -8.460 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.192 -7.356 -7.458 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.223 -7.016 -7.704 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.261 -5.770 -6.932 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.755 -7.995 -9.938 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.817 -3.992 -8.377 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.109 -7.115 -12.165 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.171 -3.113 -10.604 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.817 -4.674 -12.499 1.00 0.00 H new ATOM 183 N LYS A 13 -4.352 -8.361 -5.191 1.00 0.00 N ATOM 184 CA LYS A 13 -4.465 -8.572 -3.719 1.00 0.00 C ATOM 185 C LYS A 13 -3.280 -9.399 -3.215 1.00 0.00 C ATOM 186 O LYS A 13 -2.589 -9.014 -2.292 1.00 0.00 O ATOM 187 CB LYS A 13 -5.775 -9.337 -3.527 1.00 0.00 C ATOM 188 CG LYS A 13 -6.606 -8.661 -2.435 1.00 0.00 C ATOM 189 CD LYS A 13 -6.894 -9.666 -1.317 1.00 0.00 C ATOM 190 CE LYS A 13 -5.892 -9.465 -0.179 1.00 0.00 C ATOM 191 NZ LYS A 13 -6.545 -8.493 0.741 1.00 0.00 N ATOM 0 H LYS A 13 -5.161 -8.659 -5.736 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.458 -7.634 -3.164 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.335 -9.361 -4.462 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.568 -10.371 -3.253 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.070 -7.800 -2.035 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.541 -8.288 -2.853 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.911 -9.534 -0.948 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -6.824 -10.684 -1.701 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.677 -10.405 0.328 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.943 -9.080 -0.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.918 -8.304 1.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.732 -7.605 0.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.442 -8.890 1.085 1.00 0.00 H new ATOM 205 N GLU A 14 -3.037 -10.532 -3.815 1.00 0.00 N ATOM 206 CA GLU A 14 -1.894 -11.380 -3.372 1.00 0.00 C ATOM 207 C GLU A 14 -0.611 -10.546 -3.324 1.00 0.00 C ATOM 208 O GLU A 14 0.211 -10.703 -2.443 1.00 0.00 O ATOM 209 CB GLU A 14 -1.780 -12.479 -4.429 1.00 0.00 C ATOM 210 CG GLU A 14 -2.852 -13.541 -4.179 1.00 0.00 C ATOM 211 CD GLU A 14 -2.910 -14.500 -5.370 1.00 0.00 C ATOM 212 OE1 GLU A 14 -1.961 -15.246 -5.549 1.00 0.00 O ATOM 213 OE2 GLU A 14 -3.899 -14.470 -6.082 1.00 0.00 O ATOM 0 H GLU A 14 -3.580 -10.907 -4.593 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.046 -11.792 -2.374 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.900 -12.054 -5.425 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -0.789 -12.932 -4.393 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -2.627 -14.092 -3.266 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.822 -13.066 -4.034 1.00 0.00 H new ATOM 220 N ALA A 15 -0.437 -9.657 -4.263 1.00 0.00 N ATOM 221 CA ALA A 15 0.790 -8.810 -4.272 1.00 0.00 C ATOM 222 C ALA A 15 0.730 -7.785 -3.137 1.00 0.00 C ATOM 223 O ALA A 15 1.460 -7.871 -2.170 1.00 0.00 O ATOM 224 CB ALA A 15 0.776 -8.108 -5.630 1.00 0.00 C ATOM 0 H ALA A 15 -1.092 -9.480 -5.025 1.00 0.00 H new ATOM 0 HA ALA A 15 1.698 -9.395 -4.125 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.651 -7.463 -5.715 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.796 -8.853 -6.425 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.129 -7.506 -5.719 1.00 0.00 H new ATOM 230 N PHE A 16 -0.136 -6.815 -3.249 1.00 0.00 N ATOM 231 CA PHE A 16 -0.247 -5.781 -2.179 1.00 0.00 C ATOM 232 C PHE A 16 -0.168 -6.434 -0.796 1.00 0.00 C ATOM 233 O PHE A 16 0.564 -5.994 0.068 1.00 0.00 O ATOM 234 CB PHE A 16 -1.619 -5.143 -2.391 1.00 0.00 C ATOM 235 CG PHE A 16 -1.795 -3.993 -1.431 1.00 0.00 C ATOM 236 CD1 PHE A 16 -1.384 -2.706 -1.796 1.00 0.00 C ATOM 237 CD2 PHE A 16 -2.372 -4.213 -0.174 1.00 0.00 C ATOM 238 CE1 PHE A 16 -1.550 -1.639 -0.904 1.00 0.00 C ATOM 239 CE2 PHE A 16 -2.536 -3.148 0.717 1.00 0.00 C ATOM 240 CZ PHE A 16 -2.126 -1.860 0.353 1.00 0.00 C ATOM 0 H PHE A 16 -0.773 -6.693 -4.036 1.00 0.00 H new ATOM 0 HA PHE A 16 0.559 -5.049 -2.228 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.713 -4.790 -3.418 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.404 -5.883 -2.235 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.939 -2.536 -2.765 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.690 -5.206 0.107 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.234 -0.646 -1.186 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.979 -3.319 1.687 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.254 -1.037 1.041 1.00 0.00 H new ATOM 250 N ALA A 17 -0.919 -7.479 -0.579 1.00 0.00 N ATOM 251 CA ALA A 17 -0.888 -8.157 0.750 1.00 0.00 C ATOM 252 C ALA A 17 0.446 -8.882 0.948 1.00 0.00 C ATOM 253 O ALA A 17 0.862 -9.142 2.060 1.00 0.00 O ATOM 254 CB ALA A 17 -2.042 -9.158 0.708 1.00 0.00 C ATOM 0 H ALA A 17 -1.552 -7.893 -1.263 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.988 -7.452 1.575 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.088 -9.700 1.652 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.980 -8.626 0.549 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.882 -9.863 -0.108 1.00 0.00 H new ATOM 260 N LEU A 18 1.119 -9.213 -0.120 1.00 0.00 N ATOM 261 CA LEU A 18 2.424 -9.922 0.013 1.00 0.00 C ATOM 262 C LEU A 18 3.431 -9.044 0.761 1.00 0.00 C ATOM 263 O LEU A 18 4.451 -9.513 1.230 1.00 0.00 O ATOM 264 CB LEU A 18 2.891 -10.170 -1.421 1.00 0.00 C ATOM 265 CG LEU A 18 3.193 -11.657 -1.611 1.00 0.00 C ATOM 266 CD1 LEU A 18 3.414 -11.949 -3.096 1.00 0.00 C ATOM 267 CD2 LEU A 18 4.456 -12.023 -0.828 1.00 0.00 C ATOM 0 H LEU A 18 0.823 -9.024 -1.077 1.00 0.00 H new ATOM 0 HA LEU A 18 2.332 -10.850 0.577 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.122 -9.852 -2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.781 -9.578 -1.632 1.00 0.00 H new ATOM 0 HG LEU A 18 2.352 -12.247 -1.246 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.629 -13.009 -3.230 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.516 -11.687 -3.656 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.254 -11.359 -3.462 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.673 -13.083 -0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.295 -11.432 -1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.301 -11.816 0.231 1.00 0.00 H new ATOM 279 N PHE A 19 3.155 -7.774 0.879 1.00 0.00 N ATOM 280 CA PHE A 19 4.098 -6.870 1.599 1.00 0.00 C ATOM 281 C PHE A 19 3.358 -6.098 2.694 1.00 0.00 C ATOM 282 O PHE A 19 3.852 -5.119 3.218 1.00 0.00 O ATOM 283 CB PHE A 19 4.625 -5.912 0.529 1.00 0.00 C ATOM 284 CG PHE A 19 5.010 -6.692 -0.704 1.00 0.00 C ATOM 285 CD1 PHE A 19 4.049 -6.969 -1.684 1.00 0.00 C ATOM 286 CD2 PHE A 19 6.326 -7.140 -0.869 1.00 0.00 C ATOM 287 CE1 PHE A 19 4.404 -7.693 -2.828 1.00 0.00 C ATOM 288 CE2 PHE A 19 6.681 -7.865 -2.012 1.00 0.00 C ATOM 289 CZ PHE A 19 5.720 -8.141 -2.992 1.00 0.00 C ATOM 0 H PHE A 19 2.318 -7.323 0.509 1.00 0.00 H new ATOM 0 HA PHE A 19 4.904 -7.418 2.087 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.863 -5.173 0.281 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.488 -5.365 0.909 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.034 -6.624 -1.557 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.068 -6.926 -0.114 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.663 -7.906 -3.584 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.696 -8.212 -2.138 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.994 -8.700 -3.875 1.00 0.00 H new ATOM 299 N ASP A 20 2.178 -6.530 3.044 1.00 0.00 N ATOM 300 CA ASP A 20 1.408 -5.820 4.105 1.00 0.00 C ATOM 301 C ASP A 20 2.187 -5.835 5.423 1.00 0.00 C ATOM 302 O ASP A 20 2.083 -6.756 6.207 1.00 0.00 O ATOM 303 CB ASP A 20 0.105 -6.609 4.244 1.00 0.00 C ATOM 304 CG ASP A 20 0.424 -8.062 4.605 1.00 0.00 C ATOM 305 OD1 ASP A 20 1.595 -8.404 4.622 1.00 0.00 O ATOM 306 OD2 ASP A 20 -0.509 -8.806 4.857 1.00 0.00 O ATOM 0 H ASP A 20 1.713 -7.344 2.641 1.00 0.00 H new ATOM 0 HA ASP A 20 1.227 -4.775 3.855 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.523 -6.161 5.014 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.458 -6.570 3.311 1.00 0.00 H new ATOM 311 N LYS A 21 2.968 -4.819 5.672 1.00 0.00 N ATOM 312 CA LYS A 21 3.752 -4.775 6.939 1.00 0.00 C ATOM 313 C LYS A 21 2.810 -4.824 8.145 1.00 0.00 C ATOM 314 O LYS A 21 2.980 -5.624 9.045 1.00 0.00 O ATOM 315 CB LYS A 21 4.500 -3.441 6.897 1.00 0.00 C ATOM 316 CG LYS A 21 5.515 -3.461 5.753 1.00 0.00 C ATOM 317 CD LYS A 21 6.931 -3.529 6.327 1.00 0.00 C ATOM 318 CE LYS A 21 7.126 -4.865 7.048 1.00 0.00 C ATOM 319 NZ LYS A 21 7.230 -5.877 5.960 1.00 0.00 N ATOM 0 H LYS A 21 3.097 -4.018 5.053 1.00 0.00 H new ATOM 0 HA LYS A 21 4.433 -5.621 7.033 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.795 -2.621 6.758 1.00 0.00 H new ATOM 0 HB3 LYS A 21 5.008 -3.267 7.845 1.00 0.00 H new ATOM 0 HG2 LYS A 21 5.332 -4.319 5.106 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.403 -2.568 5.138 1.00 0.00 H new ATOM 0 HD2 LYS A 21 7.664 -3.425 5.527 1.00 0.00 H new ATOM 0 HD3 LYS A 21 7.094 -2.703 7.019 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.025 -4.854 7.664 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.288 -5.082 7.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 7.780 -6.693 6.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 6.277 -6.191 5.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 7.706 -5.455 5.137 1.00 0.00 H new ATOM 333 N ASP A 22 1.819 -3.976 8.172 1.00 0.00 N ATOM 334 CA ASP A 22 0.868 -3.976 9.320 1.00 0.00 C ATOM 335 C ASP A 22 -0.116 -5.141 9.191 1.00 0.00 C ATOM 336 O ASP A 22 -0.869 -5.433 10.099 1.00 0.00 O ATOM 337 CB ASP A 22 0.132 -2.638 9.224 1.00 0.00 C ATOM 338 CG ASP A 22 1.044 -1.517 9.724 1.00 0.00 C ATOM 339 OD1 ASP A 22 2.223 -1.774 9.906 1.00 0.00 O ATOM 340 OD2 ASP A 22 0.549 -0.418 9.917 1.00 0.00 O ATOM 0 H ASP A 22 1.626 -3.283 7.449 1.00 0.00 H new ATOM 0 HA ASP A 22 1.375 -4.094 10.277 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.165 -2.447 8.193 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.782 -2.670 9.818 1.00 0.00 H new ATOM 345 N ASN A 23 -0.116 -5.809 8.070 1.00 0.00 N ATOM 346 CA ASN A 23 -1.052 -6.955 7.884 1.00 0.00 C ATOM 347 C ASN A 23 -2.501 -6.460 7.877 1.00 0.00 C ATOM 348 O ASN A 23 -3.433 -7.238 7.908 1.00 0.00 O ATOM 349 CB ASN A 23 -0.802 -7.868 9.085 1.00 0.00 C ATOM 350 CG ASN A 23 -0.858 -9.330 8.637 1.00 0.00 C ATOM 351 OD1 ASN A 23 -1.704 -9.703 7.849 1.00 0.00 O ATOM 352 ND2 ASN A 23 0.016 -10.177 9.106 1.00 0.00 N ATOM 0 H ASN A 23 0.491 -5.611 7.275 1.00 0.00 H new ATOM 0 HA ASN A 23 -0.890 -7.472 6.938 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.171 -7.649 9.525 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.550 -7.684 9.856 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.011 -11.153 8.811 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.726 -9.863 9.768 1.00 0.00 H new ATOM 359 N ASN A 24 -2.696 -5.170 7.837 1.00 0.00 N ATOM 360 CA ASN A 24 -4.085 -4.627 7.828 1.00 0.00 C ATOM 361 C ASN A 24 -4.474 -4.195 6.412 1.00 0.00 C ATOM 362 O ASN A 24 -4.858 -3.065 6.181 1.00 0.00 O ATOM 363 CB ASN A 24 -4.044 -3.419 8.765 1.00 0.00 C ATOM 364 CG ASN A 24 -3.937 -3.900 10.213 1.00 0.00 C ATOM 365 OD1 ASN A 24 -4.219 -5.043 10.508 1.00 0.00 O ATOM 366 ND2 ASN A 24 -3.538 -3.068 11.135 1.00 0.00 N ATOM 0 H ASN A 24 -1.955 -4.469 7.810 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.820 -5.366 8.148 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.194 -2.783 8.518 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.942 -2.815 8.637 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.463 -3.378 12.104 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.301 -2.107 10.887 1.00 0.00 H new ATOM 373 N GLY A 25 -4.377 -5.085 5.462 1.00 0.00 N ATOM 374 CA GLY A 25 -4.741 -4.723 4.062 1.00 0.00 C ATOM 375 C GLY A 25 -4.150 -3.356 3.717 1.00 0.00 C ATOM 376 O GLY A 25 -4.659 -2.642 2.876 1.00 0.00 O ATOM 0 H GLY A 25 -4.062 -6.046 5.594 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.366 -5.478 3.371 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.825 -4.700 3.951 1.00 0.00 H new ATOM 380 N SER A 26 -3.077 -2.984 4.360 1.00 0.00 N ATOM 381 CA SER A 26 -2.454 -1.661 4.069 1.00 0.00 C ATOM 382 C SER A 26 -0.928 -1.789 4.047 1.00 0.00 C ATOM 383 O SER A 26 -0.325 -2.302 4.968 1.00 0.00 O ATOM 384 CB SER A 26 -2.898 -0.752 5.213 1.00 0.00 C ATOM 385 OG SER A 26 -2.961 -1.506 6.415 1.00 0.00 O ATOM 0 H SER A 26 -2.605 -3.539 5.074 1.00 0.00 H new ATOM 0 HA SER A 26 -2.755 -1.269 3.098 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.199 0.077 5.326 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.873 -0.318 4.991 1.00 0.00 H new ATOM 0 HG SER A 26 -3.888 -1.776 6.583 1.00 0.00 H new ATOM 391 N ILE A 27 -0.300 -1.325 3.001 1.00 0.00 N ATOM 392 CA ILE A 27 1.186 -1.420 2.921 1.00 0.00 C ATOM 393 C ILE A 27 1.805 -0.020 2.914 1.00 0.00 C ATOM 394 O ILE A 27 1.115 0.975 3.011 1.00 0.00 O ATOM 395 CB ILE A 27 1.466 -2.136 1.599 1.00 0.00 C ATOM 396 CG1 ILE A 27 1.192 -1.180 0.433 1.00 0.00 C ATOM 397 CG2 ILE A 27 0.556 -3.360 1.477 1.00 0.00 C ATOM 398 CD1 ILE A 27 1.440 -1.903 -0.891 1.00 0.00 C ATOM 0 H ILE A 27 -0.751 -0.885 2.199 1.00 0.00 H new ATOM 0 HA ILE A 27 1.613 -1.952 3.771 1.00 0.00 H new ATOM 0 HB ILE A 27 2.508 -2.454 1.573 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.163 -0.822 0.477 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.837 -0.305 0.508 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.756 -3.870 0.535 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.749 -4.041 2.306 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.486 -3.042 1.503 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.245 -1.222 -1.719 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.476 -2.239 -0.934 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.776 -2.764 -0.965 1.00 0.00 H new ATOM 410 N SER A 28 3.102 0.064 2.796 1.00 0.00 N ATOM 411 CA SER A 28 3.764 1.400 2.779 1.00 0.00 C ATOM 412 C SER A 28 4.178 1.759 1.351 1.00 0.00 C ATOM 413 O SER A 28 4.401 0.898 0.524 1.00 0.00 O ATOM 414 CB SER A 28 4.993 1.245 3.674 1.00 0.00 C ATOM 415 OG SER A 28 5.283 2.491 4.292 1.00 0.00 O ATOM 0 H SER A 28 3.732 -0.734 2.711 1.00 0.00 H new ATOM 0 HA SER A 28 3.106 2.195 3.130 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.811 0.483 4.432 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.847 0.911 3.085 1.00 0.00 H new ATOM 0 HG SER A 28 6.070 2.395 4.868 1.00 0.00 H new ATOM 421 N SER A 29 4.283 3.026 1.053 1.00 0.00 N ATOM 422 CA SER A 29 4.684 3.434 -0.324 1.00 0.00 C ATOM 423 C SER A 29 5.849 2.571 -0.812 1.00 0.00 C ATOM 424 O SER A 29 5.738 1.854 -1.786 1.00 0.00 O ATOM 425 CB SER A 29 5.111 4.895 -0.196 1.00 0.00 C ATOM 426 OG SER A 29 6.305 5.101 -0.941 1.00 0.00 O ATOM 0 H SER A 29 4.109 3.794 1.701 1.00 0.00 H new ATOM 0 HA SER A 29 3.876 3.310 -1.045 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.321 5.550 -0.563 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.274 5.148 0.852 1.00 0.00 H new ATOM 0 HG SER A 29 6.078 5.378 -1.853 1.00 0.00 H new ATOM 432 N SER A 30 6.968 2.634 -0.143 1.00 0.00 N ATOM 433 CA SER A 30 8.139 1.816 -0.571 1.00 0.00 C ATOM 434 C SER A 30 7.687 0.396 -0.924 1.00 0.00 C ATOM 435 O SER A 30 8.297 -0.279 -1.729 1.00 0.00 O ATOM 436 CB SER A 30 9.073 1.797 0.637 1.00 0.00 C ATOM 437 OG SER A 30 10.392 1.488 0.206 1.00 0.00 O ATOM 0 H SER A 30 7.122 3.216 0.681 1.00 0.00 H new ATOM 0 HA SER A 30 8.628 2.224 -1.455 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.059 2.765 1.137 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.733 1.058 1.363 1.00 0.00 H new ATOM 0 HG SER A 30 10.994 1.477 0.979 1.00 0.00 H new ATOM 443 N GLU A 31 6.619 -0.061 -0.327 1.00 0.00 N ATOM 444 CA GLU A 31 6.128 -1.435 -0.629 1.00 0.00 C ATOM 445 C GLU A 31 5.301 -1.429 -1.917 1.00 0.00 C ATOM 446 O GLU A 31 5.330 -2.367 -2.690 1.00 0.00 O ATOM 447 CB GLU A 31 5.255 -1.816 0.567 1.00 0.00 C ATOM 448 CG GLU A 31 6.014 -1.529 1.865 1.00 0.00 C ATOM 449 CD GLU A 31 7.294 -2.367 1.903 1.00 0.00 C ATOM 450 OE1 GLU A 31 7.337 -3.379 1.225 1.00 0.00 O ATOM 451 OE2 GLU A 31 8.209 -1.980 2.611 1.00 0.00 O ATOM 0 H GLU A 31 6.066 0.458 0.356 1.00 0.00 H new ATOM 0 HA GLU A 31 6.944 -2.142 -0.779 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.323 -1.251 0.545 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.989 -2.872 0.515 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.259 -0.469 1.929 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.387 -1.764 2.725 1.00 0.00 H new ATOM 458 N LEU A 32 4.566 -0.377 -2.157 1.00 0.00 N ATOM 459 CA LEU A 32 3.741 -0.315 -3.398 1.00 0.00 C ATOM 460 C LEU A 32 4.629 -0.519 -4.627 1.00 0.00 C ATOM 461 O LEU A 32 4.294 -1.257 -5.531 1.00 0.00 O ATOM 462 CB LEU A 32 3.128 1.087 -3.401 1.00 0.00 C ATOM 463 CG LEU A 32 2.344 1.297 -4.696 1.00 0.00 C ATOM 464 CD1 LEU A 32 1.221 0.263 -4.787 1.00 0.00 C ATOM 465 CD2 LEU A 32 1.742 2.704 -4.704 1.00 0.00 C ATOM 0 H LEU A 32 4.501 0.440 -1.550 1.00 0.00 H new ATOM 0 HA LEU A 32 2.975 -1.090 -3.426 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.470 1.210 -2.541 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.912 1.839 -3.312 1.00 0.00 H new ATOM 0 HG LEU A 32 3.014 1.182 -5.548 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.662 0.413 -5.711 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.648 -0.740 -4.780 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.551 0.378 -3.935 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.183 2.855 -5.627 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.073 2.818 -3.851 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.541 3.442 -4.639 1.00 0.00 H new ATOM 477 N ALA A 33 5.763 0.126 -4.667 1.00 0.00 N ATOM 478 CA ALA A 33 6.669 -0.042 -5.838 1.00 0.00 C ATOM 479 C ALA A 33 6.907 -1.530 -6.096 1.00 0.00 C ATOM 480 O ALA A 33 6.939 -1.978 -7.225 1.00 0.00 O ATOM 481 CB ALA A 33 7.972 0.651 -5.435 1.00 0.00 C ATOM 0 H ALA A 33 6.100 0.760 -3.942 1.00 0.00 H new ATOM 0 HA ALA A 33 6.254 0.381 -6.753 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.693 0.571 -6.248 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.775 1.703 -5.227 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.377 0.174 -4.542 1.00 0.00 H new ATOM 487 N THR A 34 7.067 -2.302 -5.055 1.00 0.00 N ATOM 488 CA THR A 34 7.293 -3.761 -5.242 1.00 0.00 C ATOM 489 C THR A 34 6.046 -4.405 -5.852 1.00 0.00 C ATOM 490 O THR A 34 6.059 -4.855 -6.981 1.00 0.00 O ATOM 491 CB THR A 34 7.547 -4.311 -3.838 1.00 0.00 C ATOM 492 OG1 THR A 34 8.777 -3.801 -3.345 1.00 0.00 O ATOM 493 CG2 THR A 34 7.608 -5.837 -3.894 1.00 0.00 C ATOM 0 H THR A 34 7.051 -1.985 -4.086 1.00 0.00 H new ATOM 0 HA THR A 34 8.126 -3.969 -5.913 1.00 0.00 H new ATOM 0 HB THR A 34 6.738 -4.005 -3.174 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.939 -4.152 -2.444 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.789 -6.231 -2.894 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.662 -6.225 -4.271 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.417 -6.145 -4.557 1.00 0.00 H new ATOM 501 N VAL A 35 4.966 -4.444 -5.119 1.00 0.00 N ATOM 502 CA VAL A 35 3.719 -5.049 -5.668 1.00 0.00 C ATOM 503 C VAL A 35 3.505 -4.562 -7.102 1.00 0.00 C ATOM 504 O VAL A 35 2.956 -5.259 -7.936 1.00 0.00 O ATOM 505 CB VAL A 35 2.596 -4.547 -4.759 1.00 0.00 C ATOM 506 CG1 VAL A 35 2.819 -5.061 -3.336 1.00 0.00 C ATOM 507 CG2 VAL A 35 2.595 -3.016 -4.750 1.00 0.00 C ATOM 0 H VAL A 35 4.893 -4.084 -4.167 1.00 0.00 H new ATOM 0 HA VAL A 35 3.758 -6.138 -5.694 1.00 0.00 H new ATOM 0 HB VAL A 35 1.639 -4.912 -5.131 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.018 -4.702 -2.690 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.822 -6.151 -3.339 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.776 -4.697 -2.963 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.795 -2.656 -4.103 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.553 -2.654 -4.378 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.436 -2.646 -5.763 1.00 0.00 H new ATOM 517 N MET A 36 3.936 -3.365 -7.391 1.00 0.00 N ATOM 518 CA MET A 36 3.766 -2.813 -8.765 1.00 0.00 C ATOM 519 C MET A 36 4.494 -3.691 -9.788 1.00 0.00 C ATOM 520 O MET A 36 3.890 -4.244 -10.685 1.00 0.00 O ATOM 521 CB MET A 36 4.395 -1.419 -8.705 1.00 0.00 C ATOM 522 CG MET A 36 3.747 -0.519 -9.757 1.00 0.00 C ATOM 523 SD MET A 36 1.975 -0.370 -9.415 1.00 0.00 S ATOM 524 CE MET A 36 2.093 0.948 -8.180 1.00 0.00 C ATOM 0 H MET A 36 4.401 -2.742 -6.731 1.00 0.00 H new ATOM 0 HA MET A 36 2.721 -2.779 -9.072 1.00 0.00 H new ATOM 0 HB2 MET A 36 4.260 -0.990 -7.712 1.00 0.00 H new ATOM 0 HB3 MET A 36 5.469 -1.486 -8.880 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.214 0.466 -9.746 1.00 0.00 H new ATOM 0 HG3 MET A 36 3.902 -0.935 -10.752 1.00 0.00 H new ATOM 0 HE1 MET A 36 1.440 0.717 -7.338 1.00 0.00 H new ATOM 0 HE2 MET A 36 3.122 1.028 -7.830 1.00 0.00 H new ATOM 0 HE3 MET A 36 1.788 1.894 -8.627 1.00 0.00 H new ATOM 534 N ARG A 37 5.787 -3.821 -9.663 1.00 0.00 N ATOM 535 CA ARG A 37 6.548 -4.661 -10.634 1.00 0.00 C ATOM 536 C ARG A 37 6.240 -6.146 -10.413 1.00 0.00 C ATOM 537 O ARG A 37 6.456 -6.969 -11.281 1.00 0.00 O ATOM 538 CB ARG A 37 8.019 -4.370 -10.339 1.00 0.00 C ATOM 539 CG ARG A 37 8.886 -4.909 -11.480 1.00 0.00 C ATOM 540 CD ARG A 37 10.244 -5.348 -10.926 1.00 0.00 C ATOM 541 NE ARG A 37 9.998 -6.686 -10.322 1.00 0.00 N ATOM 542 CZ ARG A 37 10.947 -7.285 -9.656 1.00 0.00 C ATOM 543 NH1 ARG A 37 12.164 -7.305 -10.129 1.00 0.00 N ATOM 544 NH2 ARG A 37 10.680 -7.864 -8.517 1.00 0.00 N ATOM 0 H ARG A 37 6.349 -3.383 -8.933 1.00 0.00 H new ATOM 0 HA ARG A 37 6.285 -4.435 -11.667 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.173 -3.297 -10.227 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.310 -4.834 -9.397 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.389 -5.751 -11.962 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.023 -4.141 -12.241 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.994 -5.403 -11.716 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.615 -4.642 -10.183 1.00 0.00 H new ATOM 0 HE ARG A 37 9.088 -7.134 -10.429 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.373 -6.852 -11.019 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.906 -7.773 -9.608 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.729 -7.848 -8.147 1.00 0.00 H new ATOM 0 HH22 ARG A 37 11.422 -8.332 -7.997 1.00 0.00 H new ATOM 558 N SER A 38 5.742 -6.497 -9.259 1.00 0.00 N ATOM 559 CA SER A 38 5.426 -7.928 -8.986 1.00 0.00 C ATOM 560 C SER A 38 4.263 -8.396 -9.862 1.00 0.00 C ATOM 561 O SER A 38 4.217 -9.531 -10.295 1.00 0.00 O ATOM 562 CB SER A 38 5.036 -7.971 -7.510 1.00 0.00 C ATOM 563 OG SER A 38 6.184 -7.713 -6.712 1.00 0.00 O ATOM 0 H SER A 38 5.540 -5.854 -8.493 1.00 0.00 H new ATOM 0 HA SER A 38 6.268 -8.584 -9.207 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.263 -7.231 -7.305 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.618 -8.946 -7.261 1.00 0.00 H new ATOM 0 HG SER A 38 6.358 -6.749 -6.691 1.00 0.00 H new ATOM 569 N LEU A 39 3.321 -7.534 -10.126 1.00 0.00 N ATOM 570 CA LEU A 39 2.162 -7.938 -10.975 1.00 0.00 C ATOM 571 C LEU A 39 2.644 -8.325 -12.376 1.00 0.00 C ATOM 572 O LEU A 39 2.032 -9.128 -13.052 1.00 0.00 O ATOM 573 CB LEU A 39 1.261 -6.703 -11.040 1.00 0.00 C ATOM 574 CG LEU A 39 0.394 -6.630 -9.781 1.00 0.00 C ATOM 575 CD1 LEU A 39 -0.630 -5.503 -9.931 1.00 0.00 C ATOM 576 CD2 LEU A 39 -0.343 -7.958 -9.587 1.00 0.00 C ATOM 0 H LEU A 39 3.302 -6.570 -9.793 1.00 0.00 H new ATOM 0 HA LEU A 39 1.636 -8.802 -10.568 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.868 -5.802 -11.128 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.629 -6.749 -11.927 1.00 0.00 H new ATOM 0 HG LEU A 39 1.030 -6.436 -8.917 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.248 -5.451 -9.034 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.110 -4.555 -10.069 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.263 -5.699 -10.797 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.960 -7.904 -8.690 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.977 -8.152 -10.452 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.382 -8.765 -9.481 1.00 0.00 H new ATOM 588 N GLY A 40 3.737 -7.764 -12.817 1.00 0.00 N ATOM 589 CA GLY A 40 4.254 -8.105 -14.172 1.00 0.00 C ATOM 590 C GLY A 40 4.499 -6.822 -14.968 1.00 0.00 C ATOM 591 O GLY A 40 4.338 -6.788 -16.172 1.00 0.00 O ATOM 0 H GLY A 40 4.294 -7.085 -12.298 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.180 -8.674 -14.086 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.538 -8.739 -14.696 1.00 0.00 H new ATOM 595 N LEU A 41 4.888 -5.766 -14.307 1.00 0.00 N ATOM 596 CA LEU A 41 5.145 -4.488 -15.030 1.00 0.00 C ATOM 597 C LEU A 41 6.446 -3.852 -14.534 1.00 0.00 C ATOM 598 O LEU A 41 7.162 -4.423 -13.736 1.00 0.00 O ATOM 599 CB LEU A 41 3.949 -3.595 -14.696 1.00 0.00 C ATOM 600 CG LEU A 41 3.668 -3.657 -13.195 1.00 0.00 C ATOM 601 CD1 LEU A 41 3.490 -2.239 -12.650 1.00 0.00 C ATOM 602 CD2 LEU A 41 2.389 -4.461 -12.950 1.00 0.00 C ATOM 0 H LEU A 41 5.039 -5.733 -13.299 1.00 0.00 H new ATOM 0 HA LEU A 41 5.254 -4.636 -16.104 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.154 -2.567 -14.996 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.071 -3.921 -15.255 1.00 0.00 H new ATOM 0 HG LEU A 41 4.504 -4.138 -12.688 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.290 -2.283 -11.579 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.400 -1.665 -12.825 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.654 -1.757 -13.156 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.187 -4.506 -11.880 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.553 -3.979 -13.457 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.514 -5.472 -13.339 1.00 0.00 H new ATOM 614 N SER A 42 6.757 -2.674 -15.001 1.00 0.00 N ATOM 615 CA SER A 42 8.012 -2.003 -14.556 1.00 0.00 C ATOM 616 C SER A 42 7.980 -0.518 -14.927 1.00 0.00 C ATOM 617 O SER A 42 8.478 -0.125 -15.964 1.00 0.00 O ATOM 618 CB SER A 42 9.132 -2.719 -15.310 1.00 0.00 C ATOM 619 OG SER A 42 9.119 -4.100 -14.970 1.00 0.00 O ATOM 0 H SER A 42 6.197 -2.147 -15.671 1.00 0.00 H new ATOM 0 HA SER A 42 8.147 -2.057 -13.476 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.999 -2.596 -16.385 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.096 -2.279 -15.056 1.00 0.00 H new ATOM 0 HG SER A 42 8.626 -4.226 -14.133 1.00 0.00 H new ATOM 625 N PRO A 43 7.391 0.259 -14.060 1.00 0.00 N ATOM 626 CA PRO A 43 7.288 1.721 -14.292 1.00 0.00 C ATOM 627 C PRO A 43 8.656 2.388 -14.111 1.00 0.00 C ATOM 628 O PRO A 43 9.684 1.745 -14.183 1.00 0.00 O ATOM 629 CB PRO A 43 6.309 2.184 -13.216 1.00 0.00 C ATOM 630 CG PRO A 43 6.410 1.158 -12.133 1.00 0.00 C ATOM 631 CD PRO A 43 6.772 -0.146 -12.794 1.00 0.00 C ATOM 0 HA PRO A 43 6.958 1.975 -15.299 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.570 3.176 -12.846 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.293 2.246 -13.607 1.00 0.00 H new ATOM 0 HG2 PRO A 43 7.166 1.443 -11.402 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.465 1.069 -11.597 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.461 -0.727 -12.181 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.892 -0.767 -12.961 1.00 0.00 H new ATOM 639 N SER A 44 8.675 3.672 -13.877 1.00 0.00 N ATOM 640 CA SER A 44 9.975 4.377 -13.694 1.00 0.00 C ATOM 641 C SER A 44 9.841 5.467 -12.627 1.00 0.00 C ATOM 642 O SER A 44 8.757 5.780 -12.179 1.00 0.00 O ATOM 643 CB SER A 44 10.286 4.995 -15.056 1.00 0.00 C ATOM 644 OG SER A 44 9.082 5.115 -15.802 1.00 0.00 O ATOM 0 H SER A 44 7.847 4.263 -13.805 1.00 0.00 H new ATOM 0 HA SER A 44 10.766 3.704 -13.362 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.747 5.974 -14.927 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.001 4.374 -15.595 1.00 0.00 H new ATOM 0 HG SER A 44 9.277 5.513 -16.676 1.00 0.00 H new ATOM 650 N GLU A 45 10.936 6.049 -12.219 1.00 0.00 N ATOM 651 CA GLU A 45 10.870 7.118 -11.183 1.00 0.00 C ATOM 652 C GLU A 45 9.708 8.070 -11.478 1.00 0.00 C ATOM 653 O GLU A 45 8.795 8.215 -10.689 1.00 0.00 O ATOM 654 CB GLU A 45 12.206 7.856 -11.288 1.00 0.00 C ATOM 655 CG GLU A 45 13.212 7.228 -10.322 1.00 0.00 C ATOM 656 CD GLU A 45 13.705 8.289 -9.337 1.00 0.00 C ATOM 657 OE1 GLU A 45 14.141 9.334 -9.791 1.00 0.00 O ATOM 658 OE2 GLU A 45 13.637 8.038 -8.145 1.00 0.00 O ATOM 0 H GLU A 45 11.873 5.830 -12.558 1.00 0.00 H new ATOM 0 HA GLU A 45 10.704 6.714 -10.184 1.00 0.00 H new ATOM 0 HB2 GLU A 45 12.584 7.803 -12.309 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.070 8.912 -11.053 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.747 6.403 -9.782 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.053 6.812 -10.876 1.00 0.00 H new ATOM 665 N ALA A 46 9.732 8.717 -12.611 1.00 0.00 N ATOM 666 CA ALA A 46 8.626 9.658 -12.956 1.00 0.00 C ATOM 667 C ALA A 46 7.275 9.037 -12.594 1.00 0.00 C ATOM 668 O ALA A 46 6.475 9.629 -11.898 1.00 0.00 O ATOM 669 CB ALA A 46 8.737 9.862 -14.467 1.00 0.00 C ATOM 0 H ALA A 46 10.468 8.636 -13.313 1.00 0.00 H new ATOM 0 HA ALA A 46 8.698 10.600 -12.413 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.955 10.544 -14.800 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.713 10.284 -14.706 1.00 0.00 H new ATOM 0 HB3 ALA A 46 8.622 8.903 -14.973 1.00 0.00 H new ATOM 675 N GLU A 47 7.015 7.847 -13.062 1.00 0.00 N ATOM 676 CA GLU A 47 5.716 7.189 -12.743 1.00 0.00 C ATOM 677 C GLU A 47 5.509 7.136 -11.227 1.00 0.00 C ATOM 678 O GLU A 47 4.405 7.249 -10.736 1.00 0.00 O ATOM 679 CB GLU A 47 5.834 5.777 -13.319 1.00 0.00 C ATOM 680 CG GLU A 47 4.458 5.297 -13.783 1.00 0.00 C ATOM 681 CD GLU A 47 4.088 5.995 -15.093 1.00 0.00 C ATOM 682 OE1 GLU A 47 4.989 6.489 -15.753 1.00 0.00 O ATOM 683 OE2 GLU A 47 2.911 6.024 -15.415 1.00 0.00 O ATOM 0 H GLU A 47 7.645 7.302 -13.651 1.00 0.00 H new ATOM 0 HA GLU A 47 4.866 7.729 -13.161 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.533 5.771 -14.155 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.232 5.098 -12.565 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.467 4.216 -13.925 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.710 5.512 -13.020 1.00 0.00 H new ATOM 690 N VAL A 48 6.568 6.964 -10.483 1.00 0.00 N ATOM 691 CA VAL A 48 6.434 6.904 -8.999 1.00 0.00 C ATOM 692 C VAL A 48 6.111 8.294 -8.442 1.00 0.00 C ATOM 693 O VAL A 48 5.188 8.466 -7.670 1.00 0.00 O ATOM 694 CB VAL A 48 7.797 6.429 -8.496 1.00 0.00 C ATOM 695 CG1 VAL A 48 7.676 5.984 -7.037 1.00 0.00 C ATOM 696 CG2 VAL A 48 8.273 5.251 -9.349 1.00 0.00 C ATOM 0 H VAL A 48 7.519 6.863 -10.838 1.00 0.00 H new ATOM 0 HA VAL A 48 5.630 6.239 -8.683 1.00 0.00 H new ATOM 0 HB VAL A 48 8.515 7.246 -8.569 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.648 5.645 -6.678 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.336 6.822 -6.428 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.958 5.168 -6.964 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.245 4.912 -8.991 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.554 4.435 -9.276 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.359 5.566 -10.389 1.00 0.00 H new ATOM 706 N ASN A 49 6.865 9.287 -8.828 1.00 0.00 N ATOM 707 CA ASN A 49 6.601 10.665 -8.321 1.00 0.00 C ATOM 708 C ASN A 49 5.106 10.982 -8.411 1.00 0.00 C ATOM 709 O ASN A 49 4.512 11.490 -7.479 1.00 0.00 O ATOM 710 CB ASN A 49 7.401 11.586 -9.242 1.00 0.00 C ATOM 711 CG ASN A 49 7.739 12.881 -8.503 1.00 0.00 C ATOM 712 OD1 ASN A 49 7.504 12.995 -7.316 1.00 0.00 O ATOM 713 ND2 ASN A 49 8.283 13.869 -9.157 1.00 0.00 N ATOM 0 H ASN A 49 7.652 9.204 -9.472 1.00 0.00 H new ATOM 0 HA ASN A 49 6.889 10.784 -7.277 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.316 11.089 -9.564 1.00 0.00 H new ATOM 0 HB3 ASN A 49 6.826 11.808 -10.141 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.511 14.737 -8.672 1.00 0.00 H new ATOM 0 HD22 ASN A 49 8.480 13.774 -10.153 1.00 0.00 H new ATOM 720 N ASP A 50 4.493 10.688 -9.524 1.00 0.00 N ATOM 721 CA ASP A 50 3.037 10.974 -9.672 1.00 0.00 C ATOM 722 C ASP A 50 2.214 9.932 -8.909 1.00 0.00 C ATOM 723 O ASP A 50 1.312 10.262 -8.166 1.00 0.00 O ATOM 724 CB ASP A 50 2.765 10.878 -11.173 1.00 0.00 C ATOM 725 CG ASP A 50 2.109 12.173 -11.657 1.00 0.00 C ATOM 726 OD1 ASP A 50 1.712 12.963 -10.816 1.00 0.00 O ATOM 727 OD2 ASP A 50 2.014 12.352 -12.860 1.00 0.00 O ATOM 0 H ASP A 50 4.937 10.262 -10.338 1.00 0.00 H new ATOM 0 HA ASP A 50 2.765 11.950 -9.271 1.00 0.00 H new ATOM 0 HB2 ASP A 50 3.697 10.706 -11.712 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.115 10.028 -11.382 1.00 0.00 H new ATOM 732 N LEU A 51 2.519 8.675 -9.087 1.00 0.00 N ATOM 733 CA LEU A 51 1.753 7.613 -8.373 1.00 0.00 C ATOM 734 C LEU A 51 1.779 7.869 -6.864 1.00 0.00 C ATOM 735 O LEU A 51 0.859 7.522 -6.149 1.00 0.00 O ATOM 736 CB LEU A 51 2.479 6.309 -8.708 1.00 0.00 C ATOM 737 CG LEU A 51 1.883 5.166 -7.886 1.00 0.00 C ATOM 738 CD1 LEU A 51 0.650 4.610 -8.601 1.00 0.00 C ATOM 739 CD2 LEU A 51 2.924 4.056 -7.728 1.00 0.00 C ATOM 0 H LEU A 51 3.265 8.338 -9.695 1.00 0.00 H new ATOM 0 HA LEU A 51 0.706 7.585 -8.673 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.386 6.092 -9.772 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.543 6.408 -8.494 1.00 0.00 H new ATOM 0 HG LEU A 51 1.595 5.538 -6.903 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.226 3.795 -8.014 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.092 5.400 -8.714 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.937 4.238 -9.585 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.500 3.240 -7.142 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.212 3.685 -8.711 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.802 4.451 -7.218 1.00 0.00 H new ATOM 751 N MET A 52 2.827 8.473 -6.372 1.00 0.00 N ATOM 752 CA MET A 52 2.911 8.750 -4.910 1.00 0.00 C ATOM 753 C MET A 52 2.267 10.103 -4.590 1.00 0.00 C ATOM 754 O MET A 52 1.403 10.204 -3.743 1.00 0.00 O ATOM 755 CB MET A 52 4.407 8.781 -4.597 1.00 0.00 C ATOM 756 CG MET A 52 4.717 7.777 -3.485 1.00 0.00 C ATOM 757 SD MET A 52 4.725 6.102 -4.170 1.00 0.00 S ATOM 758 CE MET A 52 3.190 5.534 -3.397 1.00 0.00 C ATOM 0 H MET A 52 3.628 8.786 -6.920 1.00 0.00 H new ATOM 0 HA MET A 52 2.387 8.000 -4.317 1.00 0.00 H new ATOM 0 HB2 MET A 52 4.981 8.538 -5.491 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.704 9.784 -4.289 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.684 8.002 -3.036 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.972 7.854 -2.693 1.00 0.00 H new ATOM 0 HE1 MET A 52 3.311 4.504 -3.061 1.00 0.00 H new ATOM 0 HE2 MET A 52 2.956 6.169 -2.543 1.00 0.00 H new ATOM 0 HE3 MET A 52 2.377 5.586 -4.121 1.00 0.00 H new ATOM 768 N ASN A 53 2.682 11.141 -5.261 1.00 0.00 N ATOM 769 CA ASN A 53 2.092 12.485 -4.995 1.00 0.00 C ATOM 770 C ASN A 53 0.565 12.393 -4.942 1.00 0.00 C ATOM 771 O ASN A 53 -0.096 13.217 -4.342 1.00 0.00 O ATOM 772 CB ASN A 53 2.537 13.353 -6.173 1.00 0.00 C ATOM 773 CG ASN A 53 3.677 14.271 -5.729 1.00 0.00 C ATOM 774 OD1 ASN A 53 4.717 14.315 -6.357 1.00 0.00 O ATOM 775 ND2 ASN A 53 3.527 15.011 -4.665 1.00 0.00 N ATOM 0 H ASN A 53 3.403 11.118 -5.982 1.00 0.00 H new ATOM 0 HA ASN A 53 2.417 12.896 -4.039 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.865 12.722 -7.000 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.699 13.947 -6.538 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.282 15.626 -4.361 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.655 14.975 -4.137 1.00 0.00 H new ATOM 782 N GLU A 54 0.000 11.397 -5.568 1.00 0.00 N ATOM 783 CA GLU A 54 -1.484 11.254 -5.554 1.00 0.00 C ATOM 784 C GLU A 54 -1.937 10.528 -4.283 1.00 0.00 C ATOM 785 O GLU A 54 -3.114 10.322 -4.060 1.00 0.00 O ATOM 786 CB GLU A 54 -1.814 10.421 -6.793 1.00 0.00 C ATOM 787 CG GLU A 54 -2.081 11.351 -7.978 1.00 0.00 C ATOM 788 CD GLU A 54 -3.554 11.249 -8.383 1.00 0.00 C ATOM 789 OE1 GLU A 54 -3.912 10.254 -8.992 1.00 0.00 O ATOM 790 OE2 GLU A 54 -4.296 12.169 -8.078 1.00 0.00 O ATOM 0 H GLU A 54 0.501 10.677 -6.088 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.990 12.219 -5.564 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -0.987 9.749 -7.023 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.687 9.797 -6.603 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.837 12.379 -7.710 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.442 11.080 -8.818 1.00 0.00 H new ATOM 797 N ILE A 55 -1.012 10.137 -3.449 1.00 0.00 N ATOM 798 CA ILE A 55 -1.394 9.424 -2.196 1.00 0.00 C ATOM 799 C ILE A 55 -0.362 9.693 -1.097 1.00 0.00 C ATOM 800 O ILE A 55 -0.703 9.937 0.042 1.00 0.00 O ATOM 801 CB ILE A 55 -1.405 7.943 -2.571 1.00 0.00 C ATOM 802 CG1 ILE A 55 -1.651 7.102 -1.317 1.00 0.00 C ATOM 803 CG2 ILE A 55 -0.056 7.561 -3.183 1.00 0.00 C ATOM 804 CD1 ILE A 55 -1.829 5.635 -1.712 1.00 0.00 C ATOM 0 H ILE A 55 -0.011 10.280 -3.580 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.359 9.754 -1.811 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.198 7.758 -3.295 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.813 7.205 -0.627 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.539 7.459 -0.795 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.064 6.504 -3.450 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.121 8.160 -4.076 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.737 7.746 -2.459 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.004 5.036 -0.818 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.681 5.540 -2.385 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.929 5.282 -2.215 1.00 0.00 H new ATOM 816 N ASP A 56 0.900 9.647 -1.431 1.00 0.00 N ATOM 817 CA ASP A 56 1.953 9.898 -0.404 1.00 0.00 C ATOM 818 C ASP A 56 1.557 11.080 0.484 1.00 0.00 C ATOM 819 O ASP A 56 1.215 12.142 0.004 1.00 0.00 O ATOM 820 CB ASP A 56 3.213 10.227 -1.205 1.00 0.00 C ATOM 821 CG ASP A 56 4.411 10.318 -0.256 1.00 0.00 C ATOM 822 OD1 ASP A 56 4.393 9.638 0.756 1.00 0.00 O ATOM 823 OD2 ASP A 56 5.327 11.066 -0.560 1.00 0.00 O ATOM 0 H ASP A 56 1.247 9.447 -2.369 1.00 0.00 H new ATOM 0 HA ASP A 56 2.099 9.043 0.256 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.389 9.459 -1.958 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.084 11.170 -1.736 1.00 0.00 H new ATOM 828 N VAL A 57 1.601 10.902 1.777 1.00 0.00 N ATOM 829 CA VAL A 57 1.226 12.015 2.695 1.00 0.00 C ATOM 830 C VAL A 57 2.484 12.664 3.281 1.00 0.00 C ATOM 831 O VAL A 57 2.643 13.868 3.253 1.00 0.00 O ATOM 832 CB VAL A 57 0.399 11.357 3.798 1.00 0.00 C ATOM 833 CG1 VAL A 57 -0.153 12.433 4.735 1.00 0.00 C ATOM 834 CG2 VAL A 57 -0.763 10.585 3.171 1.00 0.00 C ATOM 0 H VAL A 57 1.880 10.035 2.236 1.00 0.00 H new ATOM 0 HA VAL A 57 0.671 12.802 2.185 1.00 0.00 H new ATOM 0 HB VAL A 57 1.030 10.671 4.364 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.743 11.963 5.522 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.674 12.985 5.182 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -0.784 13.119 4.170 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.354 10.115 3.957 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.393 11.272 2.605 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.372 9.817 2.503 1.00 0.00 H new ATOM 844 N ASP A 58 3.378 11.874 3.811 1.00 0.00 N ATOM 845 CA ASP A 58 4.624 12.446 4.398 1.00 0.00 C ATOM 846 C ASP A 58 5.842 11.640 3.942 1.00 0.00 C ATOM 847 O ASP A 58 6.772 12.172 3.369 1.00 0.00 O ATOM 848 CB ASP A 58 4.439 12.328 5.911 1.00 0.00 C ATOM 849 CG ASP A 58 4.162 13.713 6.501 1.00 0.00 C ATOM 850 OD1 ASP A 58 3.003 14.085 6.570 1.00 0.00 O ATOM 851 OD2 ASP A 58 5.116 14.377 6.873 1.00 0.00 O ATOM 0 H ASP A 58 3.300 10.858 3.863 1.00 0.00 H new ATOM 0 HA ASP A 58 4.792 13.477 4.087 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.613 11.653 6.136 1.00 0.00 H new ATOM 0 HB3 ASP A 58 5.333 11.900 6.365 1.00 0.00 H new ATOM 856 N GLY A 59 5.844 10.358 4.191 1.00 0.00 N ATOM 857 CA GLY A 59 7.004 9.520 3.771 1.00 0.00 C ATOM 858 C GLY A 59 6.583 8.050 3.731 1.00 0.00 C ATOM 859 O GLY A 59 6.433 7.465 2.676 1.00 0.00 O ATOM 0 H GLY A 59 5.094 9.856 4.666 1.00 0.00 H new ATOM 0 HA2 GLY A 59 7.357 9.835 2.789 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.833 9.653 4.466 1.00 0.00 H new ATOM 863 N ASN A 60 6.392 7.448 4.873 1.00 0.00 N ATOM 864 CA ASN A 60 5.981 6.014 4.899 1.00 0.00 C ATOM 865 C ASN A 60 4.494 5.896 5.246 1.00 0.00 C ATOM 866 O ASN A 60 4.103 5.113 6.089 1.00 0.00 O ATOM 867 CB ASN A 60 6.839 5.375 5.993 1.00 0.00 C ATOM 868 CG ASN A 60 6.611 6.109 7.315 1.00 0.00 C ATOM 869 OD1 ASN A 60 7.400 6.950 7.700 1.00 0.00 O ATOM 870 ND2 ASN A 60 5.557 5.827 8.031 1.00 0.00 N ATOM 0 H ASN A 60 6.502 7.885 5.788 1.00 0.00 H new ATOM 0 HA ASN A 60 6.122 5.527 3.934 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.583 4.321 6.101 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.892 5.420 5.717 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.395 6.312 8.914 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.895 5.121 7.708 1.00 0.00 H new ATOM 877 N HIS A 61 3.662 6.670 4.603 1.00 0.00 N ATOM 878 CA HIS A 61 2.202 6.601 4.897 1.00 0.00 C ATOM 879 C HIS A 61 1.689 5.172 4.702 1.00 0.00 C ATOM 880 O HIS A 61 2.316 4.360 4.052 1.00 0.00 O ATOM 881 CB HIS A 61 1.551 7.547 3.887 1.00 0.00 C ATOM 882 CG HIS A 61 1.604 6.932 2.515 1.00 0.00 C ATOM 883 ND1 HIS A 61 2.494 5.920 2.193 1.00 0.00 N ATOM 884 CD2 HIS A 61 0.883 7.176 1.372 1.00 0.00 C ATOM 885 CE1 HIS A 61 2.288 5.595 0.903 1.00 0.00 C ATOM 886 NE2 HIS A 61 1.317 6.330 0.356 1.00 0.00 N ATOM 0 H HIS A 61 3.930 7.346 3.888 1.00 0.00 H new ATOM 0 HA HIS A 61 1.974 6.881 5.925 1.00 0.00 H new ATOM 0 HB2 HIS A 61 0.517 7.742 4.170 1.00 0.00 H new ATOM 0 HB3 HIS A 61 2.067 8.507 3.887 1.00 0.00 H new ATOM 0 HD1 HIS A 61 3.180 5.498 2.819 1.00 0.00 H new ATOM 0 HD2 HIS A 61 0.099 7.912 1.276 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.841 4.832 0.375 1.00 0.00 H new ATOM 894 N GLN A 62 0.552 4.858 5.262 1.00 0.00 N ATOM 895 CA GLN A 62 0.001 3.481 5.107 1.00 0.00 C ATOM 896 C GLN A 62 -0.937 3.420 3.899 1.00 0.00 C ATOM 897 O GLN A 62 -2.025 3.962 3.916 1.00 0.00 O ATOM 898 CB GLN A 62 -0.771 3.216 6.401 1.00 0.00 C ATOM 899 CG GLN A 62 -1.977 4.155 6.480 1.00 0.00 C ATOM 900 CD GLN A 62 -2.302 4.446 7.947 1.00 0.00 C ATOM 901 OE1 GLN A 62 -1.794 5.391 8.517 1.00 0.00 O ATOM 902 NE2 GLN A 62 -3.132 3.668 8.585 1.00 0.00 N ATOM 0 H GLN A 62 -0.018 5.494 5.819 1.00 0.00 H new ATOM 0 HA GLN A 62 0.782 2.739 4.939 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.103 2.178 6.433 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.121 3.369 7.262 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.763 5.085 5.953 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -2.838 3.701 5.989 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.558 2.875 8.106 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -3.355 3.853 9.563 1.00 0.00 H new ATOM 911 N ILE A 63 -0.524 2.764 2.848 1.00 0.00 N ATOM 912 CA ILE A 63 -1.392 2.669 1.640 1.00 0.00 C ATOM 913 C ILE A 63 -2.488 1.622 1.856 1.00 0.00 C ATOM 914 O ILE A 63 -2.357 0.730 2.670 1.00 0.00 O ATOM 915 CB ILE A 63 -0.454 2.236 0.513 1.00 0.00 C ATOM 916 CG1 ILE A 63 0.591 3.329 0.273 1.00 0.00 C ATOM 917 CG2 ILE A 63 -1.261 2.014 -0.768 1.00 0.00 C ATOM 918 CD1 ILE A 63 1.557 2.878 -0.823 1.00 0.00 C ATOM 0 H ILE A 63 0.376 2.290 2.774 1.00 0.00 H new ATOM 0 HA ILE A 63 -1.893 3.611 1.416 1.00 0.00 H new ATOM 0 HB ILE A 63 0.045 1.308 0.793 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.101 4.258 -0.019 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.138 3.533 1.194 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.592 1.705 -1.571 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.006 1.237 -0.598 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.761 2.941 -1.049 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.301 3.656 -0.995 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.056 1.960 -0.513 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.003 2.696 -1.744 1.00 0.00 H new ATOM 930 N GLU A 64 -3.569 1.724 1.132 1.00 0.00 N ATOM 931 CA GLU A 64 -4.672 0.736 1.295 1.00 0.00 C ATOM 932 C GLU A 64 -4.883 -0.040 -0.009 1.00 0.00 C ATOM 933 O GLU A 64 -5.037 0.538 -1.066 1.00 0.00 O ATOM 934 CB GLU A 64 -5.909 1.572 1.628 1.00 0.00 C ATOM 935 CG GLU A 64 -5.551 2.606 2.698 1.00 0.00 C ATOM 936 CD GLU A 64 -6.832 3.251 3.233 1.00 0.00 C ATOM 937 OE1 GLU A 64 -7.525 2.600 3.995 1.00 0.00 O ATOM 938 OE2 GLU A 64 -7.096 4.386 2.869 1.00 0.00 O ATOM 0 H GLU A 64 -3.736 2.449 0.434 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.457 0.001 2.071 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.276 2.072 0.732 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.712 0.927 1.984 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.004 2.129 3.511 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.895 3.368 2.277 1.00 0.00 H new ATOM 945 N PHE A 65 -4.891 -1.342 0.058 1.00 0.00 N ATOM 946 CA PHE A 65 -5.091 -2.148 -1.179 1.00 0.00 C ATOM 947 C PHE A 65 -6.213 -1.544 -2.029 1.00 0.00 C ATOM 948 O PHE A 65 -6.137 -1.507 -3.240 1.00 0.00 O ATOM 949 CB PHE A 65 -5.485 -3.540 -0.687 1.00 0.00 C ATOM 950 CG PHE A 65 -5.710 -4.448 -1.872 1.00 0.00 C ATOM 951 CD1 PHE A 65 -4.708 -4.596 -2.839 1.00 0.00 C ATOM 952 CD2 PHE A 65 -6.919 -5.139 -2.005 1.00 0.00 C ATOM 953 CE1 PHE A 65 -4.916 -5.437 -3.939 1.00 0.00 C ATOM 954 CE2 PHE A 65 -7.127 -5.981 -3.104 1.00 0.00 C ATOM 955 CZ PHE A 65 -6.125 -6.129 -4.071 1.00 0.00 C ATOM 0 H PHE A 65 -4.768 -1.882 0.914 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.197 -2.173 -1.803 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.702 -3.947 -0.047 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.391 -3.481 -0.083 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.775 -4.062 -2.736 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.692 -5.023 -1.260 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.144 -5.552 -4.685 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.060 -6.516 -3.206 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.285 -6.778 -4.919 1.00 0.00 H new ATOM 965 N SER A 66 -7.253 -1.068 -1.401 1.00 0.00 N ATOM 966 CA SER A 66 -8.379 -0.466 -2.172 1.00 0.00 C ATOM 967 C SER A 66 -7.878 0.718 -3.004 1.00 0.00 C ATOM 968 O SER A 66 -7.648 0.600 -4.191 1.00 0.00 O ATOM 969 CB SER A 66 -9.375 0.006 -1.114 1.00 0.00 C ATOM 970 OG SER A 66 -8.671 0.348 0.073 1.00 0.00 O ATOM 0 H SER A 66 -7.372 -1.070 -0.388 1.00 0.00 H new ATOM 0 HA SER A 66 -8.828 -1.175 -2.868 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.932 0.868 -1.481 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.102 -0.779 -0.906 1.00 0.00 H new ATOM 0 HG SER A 66 -8.764 -0.375 0.728 1.00 0.00 H new ATOM 976 N GLU A 67 -7.708 1.857 -2.391 1.00 0.00 N ATOM 977 CA GLU A 67 -7.224 3.045 -3.150 1.00 0.00 C ATOM 978 C GLU A 67 -6.055 2.653 -4.057 1.00 0.00 C ATOM 979 O GLU A 67 -5.979 3.062 -5.199 1.00 0.00 O ATOM 980 CB GLU A 67 -6.767 4.040 -2.082 1.00 0.00 C ATOM 981 CG GLU A 67 -5.505 3.516 -1.398 1.00 0.00 C ATOM 982 CD GLU A 67 -5.109 4.461 -0.262 1.00 0.00 C ATOM 983 OE1 GLU A 67 -5.935 5.272 0.123 1.00 0.00 O ATOM 984 OE2 GLU A 67 -3.987 4.357 0.205 1.00 0.00 O ATOM 0 H GLU A 67 -7.883 2.017 -1.399 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.996 3.466 -3.794 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.570 5.011 -2.536 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.557 4.187 -1.346 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.680 2.514 -1.007 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.693 3.439 -2.121 1.00 0.00 H new ATOM 991 N PHE A 68 -5.144 1.862 -3.560 1.00 0.00 N ATOM 992 CA PHE A 68 -3.983 1.446 -4.399 1.00 0.00 C ATOM 993 C PHE A 68 -4.457 1.081 -5.809 1.00 0.00 C ATOM 994 O PHE A 68 -4.061 1.686 -6.784 1.00 0.00 O ATOM 995 CB PHE A 68 -3.399 0.219 -3.694 1.00 0.00 C ATOM 996 CG PHE A 68 -2.497 -0.532 -4.645 1.00 0.00 C ATOM 997 CD1 PHE A 68 -1.807 0.160 -5.649 1.00 0.00 C ATOM 998 CD2 PHE A 68 -2.352 -1.920 -4.528 1.00 0.00 C ATOM 999 CE1 PHE A 68 -0.973 -0.535 -6.534 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -1.519 -2.615 -5.413 1.00 0.00 C ATOM 1001 CZ PHE A 68 -0.830 -1.923 -6.416 1.00 0.00 C ATOM 0 H PHE A 68 -5.152 1.486 -2.612 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.245 2.241 -4.506 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.838 0.527 -2.812 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.203 -0.432 -3.349 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.918 1.230 -5.741 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.883 -2.455 -3.754 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.441 -0.001 -7.307 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.408 -3.685 -5.322 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.188 -2.460 -7.099 1.00 0.00 H new ATOM 1011 N LEU A 69 -5.299 0.092 -5.922 1.00 0.00 N ATOM 1012 CA LEU A 69 -5.796 -0.317 -7.267 1.00 0.00 C ATOM 1013 C LEU A 69 -6.773 0.728 -7.813 1.00 0.00 C ATOM 1014 O LEU A 69 -6.682 1.140 -8.952 1.00 0.00 O ATOM 1015 CB LEU A 69 -6.503 -1.653 -7.039 1.00 0.00 C ATOM 1016 CG LEU A 69 -5.518 -2.801 -7.278 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -4.196 -2.503 -6.568 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -6.109 -4.100 -6.725 1.00 0.00 C ATOM 0 H LEU A 69 -5.665 -0.452 -5.141 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.991 -0.404 -7.996 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.894 -1.701 -6.022 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.355 -1.745 -7.712 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.338 -2.905 -8.348 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.498 -3.322 -6.740 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.773 -1.578 -6.959 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.374 -2.397 -5.498 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.410 -4.919 -6.894 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.289 -3.991 -5.655 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.050 -4.316 -7.231 1.00 0.00 H new ATOM 1030 N ALA A 70 -7.704 1.163 -7.009 1.00 0.00 N ATOM 1031 CA ALA A 70 -8.679 2.184 -7.487 1.00 0.00 C ATOM 1032 C ALA A 70 -7.943 3.299 -8.235 1.00 0.00 C ATOM 1033 O ALA A 70 -8.503 3.973 -9.076 1.00 0.00 O ATOM 1034 CB ALA A 70 -9.336 2.731 -6.219 1.00 0.00 C ATOM 0 H ALA A 70 -7.832 0.857 -6.044 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.413 1.766 -8.176 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -10.069 3.491 -6.488 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.833 1.919 -5.687 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.575 3.173 -5.576 1.00 0.00 H new ATOM 1040 N LEU A 71 -6.687 3.494 -7.934 1.00 0.00 N ATOM 1041 CA LEU A 71 -5.910 4.562 -8.625 1.00 0.00 C ATOM 1042 C LEU A 71 -4.834 3.937 -9.518 1.00 0.00 C ATOM 1043 O LEU A 71 -4.380 4.536 -10.472 1.00 0.00 O ATOM 1044 CB LEU A 71 -5.267 5.373 -7.499 1.00 0.00 C ATOM 1045 CG LEU A 71 -6.338 6.208 -6.795 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -6.982 5.381 -5.680 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -5.692 7.456 -6.190 1.00 0.00 C ATOM 0 H LEU A 71 -6.166 2.959 -7.239 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.537 5.181 -9.267 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.784 4.705 -6.785 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.491 6.023 -7.902 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.100 6.502 -7.516 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.745 5.977 -5.179 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.441 4.489 -6.107 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.220 5.087 -4.958 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -6.453 8.053 -5.688 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.930 7.158 -5.469 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.231 8.047 -6.981 1.00 0.00 H new ATOM 1059 N MET A 72 -4.421 2.736 -9.212 1.00 0.00 N ATOM 1060 CA MET A 72 -3.373 2.074 -10.043 1.00 0.00 C ATOM 1061 C MET A 72 -3.991 1.515 -11.327 1.00 0.00 C ATOM 1062 O MET A 72 -3.296 1.071 -12.219 1.00 0.00 O ATOM 1063 CB MET A 72 -2.835 0.940 -9.168 1.00 0.00 C ATOM 1064 CG MET A 72 -1.610 0.309 -9.834 1.00 0.00 C ATOM 1065 SD MET A 72 -0.375 1.589 -10.169 1.00 0.00 S ATOM 1066 CE MET A 72 0.260 0.893 -11.713 1.00 0.00 C ATOM 0 H MET A 72 -4.763 2.186 -8.424 1.00 0.00 H new ATOM 0 HA MET A 72 -2.586 2.765 -10.345 1.00 0.00 H new ATOM 0 HB2 MET A 72 -2.568 1.323 -8.183 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.608 0.186 -9.018 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.186 -0.459 -9.187 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.901 -0.182 -10.763 1.00 0.00 H new ATOM 0 HE1 MET A 72 1.305 1.177 -11.838 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.181 -0.194 -11.682 1.00 0.00 H new ATOM 0 HE3 MET A 72 -0.323 1.275 -12.551 1.00 0.00 H new ATOM 1076 N SER A 73 -5.291 1.533 -11.428 1.00 0.00 N ATOM 1077 CA SER A 73 -5.952 1.002 -12.656 1.00 0.00 C ATOM 1078 C SER A 73 -6.028 2.092 -13.728 1.00 0.00 C ATOM 1079 O SER A 73 -6.765 1.982 -14.687 1.00 0.00 O ATOM 1080 CB SER A 73 -7.353 0.594 -12.206 1.00 0.00 C ATOM 1081 OG SER A 73 -7.280 -0.643 -11.509 1.00 0.00 O ATOM 0 H SER A 73 -5.925 1.892 -10.714 1.00 0.00 H new ATOM 0 HA SER A 73 -5.405 0.166 -13.092 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.779 1.363 -11.562 1.00 0.00 H new ATOM 0 HB3 SER A 73 -8.012 0.500 -13.069 1.00 0.00 H new ATOM 0 HG SER A 73 -7.099 -0.474 -10.561 1.00 0.00 H new ATOM 1087 N ARG A 74 -5.273 3.145 -13.572 1.00 0.00 N ATOM 1088 CA ARG A 74 -5.302 4.241 -14.583 1.00 0.00 C ATOM 1089 C ARG A 74 -4.845 3.716 -15.947 1.00 0.00 C ATOM 1090 O ARG A 74 -5.502 3.910 -16.950 1.00 0.00 O ATOM 1091 CB ARG A 74 -4.324 5.291 -14.057 1.00 0.00 C ATOM 1092 CG ARG A 74 -4.529 6.605 -14.815 1.00 0.00 C ATOM 1093 CD ARG A 74 -3.896 7.754 -14.026 1.00 0.00 C ATOM 1094 NE ARG A 74 -5.016 8.699 -13.761 1.00 0.00 N ATOM 1095 CZ ARG A 74 -5.911 8.412 -12.857 1.00 0.00 C ATOM 1096 NH1 ARG A 74 -5.638 8.579 -11.591 1.00 0.00 N ATOM 1097 NH2 ARG A 74 -7.081 7.959 -13.217 1.00 0.00 N ATOM 0 H ARG A 74 -4.637 3.294 -12.788 1.00 0.00 H new ATOM 0 HA ARG A 74 -6.303 4.649 -14.720 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.480 5.446 -12.990 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -3.299 4.943 -14.182 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -4.080 6.539 -15.806 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.593 6.792 -14.959 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.452 7.398 -13.097 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.101 8.234 -14.596 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.083 9.571 -14.286 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.724 8.934 -11.309 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -6.338 8.354 -10.884 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.296 7.829 -14.206 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -7.781 7.735 -12.510 1.00 0.00 H new ATOM 1111 N GLN A 75 -3.722 3.052 -15.991 1.00 0.00 N ATOM 1112 CA GLN A 75 -3.224 2.516 -17.290 1.00 0.00 C ATOM 1113 C GLN A 75 -2.346 1.284 -17.053 1.00 0.00 C ATOM 1114 O GLN A 75 -2.394 0.323 -17.794 1.00 0.00 O ATOM 1115 CB GLN A 75 -2.401 3.652 -17.897 1.00 0.00 C ATOM 1116 CG GLN A 75 -1.348 4.117 -16.888 1.00 0.00 C ATOM 1117 CD GLN A 75 -1.117 5.620 -17.047 1.00 0.00 C ATOM 1118 OE1 GLN A 75 -0.467 6.052 -17.980 1.00 0.00 O ATOM 1119 NE2 GLN A 75 -1.624 6.442 -16.170 1.00 0.00 N ATOM 0 H GLN A 75 -3.128 2.858 -15.185 1.00 0.00 H new ATOM 0 HA GLN A 75 -4.036 2.205 -17.947 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.917 3.315 -18.814 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -3.053 4.483 -18.167 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -1.678 3.895 -15.873 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -0.415 3.576 -17.045 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -2.169 6.080 -15.387 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -1.475 7.446 -16.267 1.00 0.00 H new ATOM 1128 N LEU A 76 -1.544 1.306 -16.022 1.00 0.00 N ATOM 1129 CA LEU A 76 -0.664 0.136 -15.739 1.00 0.00 C ATOM 1130 C LEU A 76 0.309 -0.088 -16.900 1.00 0.00 C ATOM 1131 O LEU A 76 -0.026 -0.701 -17.894 1.00 0.00 O ATOM 1132 CB LEU A 76 -1.617 -1.052 -15.601 1.00 0.00 C ATOM 1133 CG LEU A 76 -0.878 -2.228 -14.961 1.00 0.00 C ATOM 1134 CD1 LEU A 76 -1.687 -2.756 -13.775 1.00 0.00 C ATOM 1135 CD2 LEU A 76 -0.704 -3.343 -15.995 1.00 0.00 C ATOM 0 H LEU A 76 -1.460 2.082 -15.365 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.060 0.281 -14.843 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.476 -0.773 -14.991 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.001 -1.339 -16.580 1.00 0.00 H new ATOM 0 HG LEU A 76 0.101 -1.896 -14.614 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.160 -3.594 -13.319 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.813 -1.963 -13.038 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.666 -3.088 -14.121 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.177 -4.182 -15.540 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.683 -3.674 -16.341 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.127 -2.968 -16.841 1.00 0.00 H new ATOM 1147 N LYS A 77 1.512 0.403 -16.781 1.00 0.00 N ATOM 1148 CA LYS A 77 2.505 0.218 -17.877 1.00 0.00 C ATOM 1149 C LYS A 77 3.412 -0.978 -17.573 1.00 0.00 C ATOM 1150 O LYS A 77 4.603 -0.867 -17.810 1.00 0.00 O ATOM 1151 CB LYS A 77 3.315 1.514 -17.902 1.00 0.00 C ATOM 1152 CG LYS A 77 3.893 1.730 -19.302 1.00 0.00 C ATOM 1153 CD LYS A 77 5.146 2.603 -19.209 1.00 0.00 C ATOM 1154 CE LYS A 77 6.107 2.240 -20.342 1.00 0.00 C ATOM 1155 NZ LYS A 77 6.700 3.537 -20.773 1.00 0.00 N ATOM 1156 OXT LYS A 77 2.900 -1.982 -17.109 1.00 0.00 O ATOM 0 H LYS A 77 1.850 0.924 -15.972 1.00 0.00 H new ATOM 0 HA LYS A 77 2.028 0.018 -18.837 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.681 2.356 -17.625 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.120 1.466 -17.169 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.139 0.771 -19.757 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.152 2.207 -19.943 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.874 3.656 -19.273 1.00 0.00 H new ATOM 0 HD3 LYS A 77 5.633 2.457 -18.245 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.877 1.548 -20.000 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.582 1.753 -21.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.372 3.371 -21.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.944 4.173 -21.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 7.199 3.974 -19.972 1.00 0.00 H new TER 1170 LYS A 77