USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 964 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 37 CYS SG : rot 180:sc= -0.0444 USER MOD Set 1.2: A 39 HIS : no HE2:sc= -0.192 K(o=-0.24,f=-1.6) USER MOD Set 2.1: A 13 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 16 SER OG : rot 180:sc= 0 USER MOD Set 2.3: A 19 LYS NZ :NH3+ 159:sc= -0.105 (180deg=-0.837) USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.058 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.168 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.232 X(o=-0.23,f=-0.25) USER MOD Single : A 24 SER OG : rot -47:sc= 0.416 USER MOD Single : A 29 MET CE :methyl 163:sc= -0.0101 (180deg=-0.0782) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 129:sc= -0.524 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.379 K(o=-0.38,f=-0.94) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN :FLIP amide:sc= -1.28 F(o=-4!,f=-1.3) USER MOD Single : A 58 THR OG1 : rot -88:sc= 1.17 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -128:sc= 0 (180deg=-1.48!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= 0.41 K(o=0.41,f=-4.5!) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot -88:sc= 0.134 USER MOD Single : A 86 THR OG1 : rot -31:sc= 0.103 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 GLN : amide:sc= -1.24 X(o=-1.2,f=-1.1) USER MOD Single : A 92 LYS NZ :NH3+ -164:sc=-0.00259 (180deg=-0.0981) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 159:sc= -2.17 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 ASN : amide:sc= -3.3 K(o=-3.3,f=-10!) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 131 SER OG : rot 47:sc= 0.433 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.783 15.310 -3.597 1.00 0.00 N ATOM 2 CA GLY A 1 -15.508 14.258 -2.907 1.00 0.00 C ATOM 3 C GLY A 1 -14.684 13.607 -1.815 1.00 0.00 C ATOM 4 O GLY A 1 -13.457 13.713 -1.806 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.225 16.229 -3.391 1.00 0.00 H new ATOM 0 H2 GLY A 1 -13.795 15.321 -3.273 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.809 15.135 -4.622 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.418 14.672 -2.473 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.815 13.500 -3.627 1.00 0.00 H new ATOM 8 N SER A 2 -15.358 12.931 -0.890 1.00 0.00 N ATOM 9 CA SER A 2 -14.681 12.264 0.216 1.00 0.00 C ATOM 10 C SER A 2 -14.752 10.748 0.061 1.00 0.00 C ATOM 11 O SER A 2 -15.832 10.178 -0.091 1.00 0.00 O ATOM 12 CB SER A 2 -15.303 12.682 1.550 1.00 0.00 C ATOM 13 OG SER A 2 -14.391 12.496 2.619 1.00 0.00 O ATOM 0 H SER A 2 -16.373 12.831 -0.885 1.00 0.00 H new ATOM 0 HA SER A 2 -13.633 12.565 0.203 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.604 13.729 1.502 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.206 12.099 1.732 1.00 0.00 H new ATOM 0 HG SER A 2 -14.812 12.772 3.460 1.00 0.00 H new ATOM 19 N SER A 3 -13.591 10.101 0.102 1.00 0.00 N ATOM 20 CA SER A 3 -13.520 8.651 -0.038 1.00 0.00 C ATOM 21 C SER A 3 -12.658 8.041 1.064 1.00 0.00 C ATOM 22 O SER A 3 -11.917 8.745 1.748 1.00 0.00 O ATOM 23 CB SER A 3 -12.955 8.277 -1.409 1.00 0.00 C ATOM 24 OG SER A 3 -13.474 7.035 -1.853 1.00 0.00 O ATOM 0 H SER A 3 -12.688 10.557 0.231 1.00 0.00 H new ATOM 0 HA SER A 3 -14.530 8.252 0.052 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.199 9.056 -2.131 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.868 8.222 -1.355 1.00 0.00 H new ATOM 0 HG SER A 3 -13.099 6.819 -2.732 1.00 0.00 H new ATOM 30 N GLY A 4 -12.761 6.726 1.228 1.00 0.00 N ATOM 31 CA GLY A 4 -11.987 6.042 2.246 1.00 0.00 C ATOM 32 C GLY A 4 -12.860 5.296 3.236 1.00 0.00 C ATOM 33 O GLY A 4 -13.232 5.838 4.277 1.00 0.00 O ATOM 0 H GLY A 4 -13.367 6.122 0.673 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.304 5.340 1.768 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.375 6.768 2.781 1.00 0.00 H new ATOM 37 N SER A 5 -13.189 4.050 2.910 1.00 0.00 N ATOM 38 CA SER A 5 -14.029 3.231 3.776 1.00 0.00 C ATOM 39 C SER A 5 -13.391 3.062 5.151 1.00 0.00 C ATOM 40 O SER A 5 -14.031 3.292 6.177 1.00 0.00 O ATOM 41 CB SER A 5 -14.268 1.860 3.141 1.00 0.00 C ATOM 42 OG SER A 5 -13.050 1.155 2.976 1.00 0.00 O ATOM 0 H SER A 5 -12.887 3.586 2.053 1.00 0.00 H new ATOM 0 HA SER A 5 -14.985 3.739 3.899 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.946 1.279 3.766 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.754 1.984 2.173 1.00 0.00 H new ATOM 0 HG SER A 5 -13.230 0.281 2.570 1.00 0.00 H new ATOM 48 N SER A 6 -12.124 2.659 5.163 1.00 0.00 N ATOM 49 CA SER A 6 -11.399 2.455 6.412 1.00 0.00 C ATOM 50 C SER A 6 -10.385 3.572 6.639 1.00 0.00 C ATOM 51 O SER A 6 -10.353 4.190 7.702 1.00 0.00 O ATOM 52 CB SER A 6 -10.688 1.101 6.398 1.00 0.00 C ATOM 53 OG SER A 6 -11.583 0.052 6.726 1.00 0.00 O ATOM 0 H SER A 6 -11.579 2.467 4.323 1.00 0.00 H new ATOM 0 HA SER A 6 -12.120 2.470 7.229 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.259 0.922 5.412 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.861 1.113 7.108 1.00 0.00 H new ATOM 0 HG SER A 6 -11.105 -0.803 6.709 1.00 0.00 H new ATOM 59 N GLY A 7 -9.556 3.826 5.630 1.00 0.00 N ATOM 60 CA GLY A 7 -8.552 4.867 5.739 1.00 0.00 C ATOM 61 C GLY A 7 -8.170 5.448 4.391 1.00 0.00 C ATOM 62 O GLY A 7 -9.023 5.627 3.521 1.00 0.00 O ATOM 0 H GLY A 7 -9.563 3.329 4.739 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.927 5.664 6.381 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.663 4.461 6.221 1.00 0.00 H new ATOM 66 N ASP A 8 -6.887 5.743 4.219 1.00 0.00 N ATOM 67 CA ASP A 8 -6.394 6.308 2.967 1.00 0.00 C ATOM 68 C ASP A 8 -5.790 5.222 2.082 1.00 0.00 C ATOM 69 O ASP A 8 -4.924 5.495 1.250 1.00 0.00 O ATOM 70 CB ASP A 8 -5.353 7.393 3.247 1.00 0.00 C ATOM 71 CG ASP A 8 -4.721 7.931 1.979 1.00 0.00 C ATOM 72 OD1 ASP A 8 -5.422 8.631 1.218 1.00 0.00 O ATOM 73 OD2 ASP A 8 -3.527 7.652 1.747 1.00 0.00 O ATOM 0 H ASP A 8 -6.169 5.601 4.929 1.00 0.00 H new ATOM 0 HA ASP A 8 -7.238 6.753 2.440 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.824 8.212 3.790 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.575 6.987 3.893 1.00 0.00 H new ATOM 78 N VAL A 9 -6.251 3.989 2.268 1.00 0.00 N ATOM 79 CA VAL A 9 -5.757 2.862 1.486 1.00 0.00 C ATOM 80 C VAL A 9 -6.394 2.831 0.102 1.00 0.00 C ATOM 81 O VAL A 9 -7.618 2.865 -0.030 1.00 0.00 O ATOM 82 CB VAL A 9 -6.032 1.523 2.196 1.00 0.00 C ATOM 83 CG1 VAL A 9 -5.199 0.410 1.579 1.00 0.00 C ATOM 84 CG2 VAL A 9 -5.755 1.644 3.687 1.00 0.00 C ATOM 0 H VAL A 9 -6.966 3.745 2.954 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.680 2.996 1.383 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.084 1.272 2.065 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -5.407 -0.528 2.094 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -5.452 0.309 0.524 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -4.140 0.651 1.677 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.955 0.689 4.173 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.712 1.919 3.842 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.400 2.411 4.116 1.00 0.00 H new ATOM 94 N ILE A 10 -5.557 2.767 -0.928 1.00 0.00 N ATOM 95 CA ILE A 10 -6.039 2.730 -2.303 1.00 0.00 C ATOM 96 C ILE A 10 -5.958 1.319 -2.876 1.00 0.00 C ATOM 97 O ILE A 10 -5.028 0.570 -2.577 1.00 0.00 O ATOM 98 CB ILE A 10 -5.237 3.685 -3.206 1.00 0.00 C ATOM 99 CG1 ILE A 10 -5.354 5.123 -2.695 1.00 0.00 C ATOM 100 CG2 ILE A 10 -5.724 3.587 -4.644 1.00 0.00 C ATOM 101 CD1 ILE A 10 -4.352 6.069 -3.319 1.00 0.00 C ATOM 0 H ILE A 10 -4.542 2.740 -0.836 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.080 3.052 -2.281 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.187 3.393 -3.178 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.361 5.490 -2.894 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.221 5.128 -1.613 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -5.148 4.268 -5.271 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -5.595 2.566 -5.003 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -6.779 3.857 -4.690 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -4.493 7.070 -2.910 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.341 5.726 -3.098 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.499 6.094 -4.399 1.00 0.00 H new ATOM 113 N GLU A 11 -6.937 0.964 -3.702 1.00 0.00 N ATOM 114 CA GLU A 11 -6.975 -0.357 -4.318 1.00 0.00 C ATOM 115 C GLU A 11 -6.558 -0.286 -5.784 1.00 0.00 C ATOM 116 O GLU A 11 -7.181 0.412 -6.586 1.00 0.00 O ATOM 117 CB GLU A 11 -8.378 -0.957 -4.204 1.00 0.00 C ATOM 118 CG GLU A 11 -8.529 -2.290 -4.916 1.00 0.00 C ATOM 119 CD GLU A 11 -9.954 -2.555 -5.363 1.00 0.00 C ATOM 120 OE1 GLU A 11 -10.553 -1.658 -5.993 1.00 0.00 O ATOM 121 OE2 GLU A 11 -10.469 -3.657 -5.083 1.00 0.00 O ATOM 0 H GLU A 11 -7.714 1.572 -3.960 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.270 -0.997 -3.788 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.624 -1.088 -3.150 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.100 -0.251 -4.615 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.870 -2.311 -5.784 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.206 -3.091 -4.251 1.00 0.00 H new ATOM 128 N LEU A 12 -5.500 -1.012 -6.128 1.00 0.00 N ATOM 129 CA LEU A 12 -4.998 -1.032 -7.497 1.00 0.00 C ATOM 130 C LEU A 12 -5.376 -2.334 -8.197 1.00 0.00 C ATOM 131 O LEU A 12 -5.907 -3.255 -7.575 1.00 0.00 O ATOM 132 CB LEU A 12 -3.479 -0.857 -7.507 1.00 0.00 C ATOM 133 CG LEU A 12 -2.945 0.412 -6.842 1.00 0.00 C ATOM 134 CD1 LEU A 12 -1.424 0.404 -6.820 1.00 0.00 C ATOM 135 CD2 LEU A 12 -3.463 1.649 -7.560 1.00 0.00 C ATOM 0 H LEU A 12 -4.973 -1.595 -5.477 1.00 0.00 H new ATOM 0 HA LEU A 12 -5.456 -0.204 -8.038 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.031 -1.719 -7.012 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.139 -0.871 -8.542 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.303 0.437 -5.813 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.062 1.315 -6.343 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.073 -0.463 -6.260 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.046 0.354 -7.841 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.073 2.543 -7.073 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.136 1.630 -8.600 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.552 1.662 -7.523 1.00 0.00 H new ATOM 147 N THR A 13 -5.097 -2.405 -9.495 1.00 0.00 N ATOM 148 CA THR A 13 -5.406 -3.594 -10.279 1.00 0.00 C ATOM 149 C THR A 13 -4.195 -4.054 -11.081 1.00 0.00 C ATOM 150 O THR A 13 -3.189 -3.349 -11.163 1.00 0.00 O ATOM 151 CB THR A 13 -6.581 -3.341 -11.243 1.00 0.00 C ATOM 152 OG1 THR A 13 -7.565 -2.515 -10.611 1.00 0.00 O ATOM 153 CG2 THR A 13 -7.216 -4.653 -11.678 1.00 0.00 C ATOM 0 H THR A 13 -4.657 -1.653 -10.025 1.00 0.00 H new ATOM 0 HA THR A 13 -5.687 -4.375 -9.572 1.00 0.00 H new ATOM 0 HB THR A 13 -6.194 -2.832 -12.126 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.307 -2.358 -11.231 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.043 -4.449 -12.358 1.00 0.00 H new ATOM 0 HG22 THR A 13 -6.472 -5.267 -12.186 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.589 -5.185 -10.803 1.00 0.00 H new ATOM 161 N ASP A 14 -4.298 -5.240 -11.672 1.00 0.00 N ATOM 162 CA ASP A 14 -3.210 -5.793 -12.470 1.00 0.00 C ATOM 163 C ASP A 14 -2.805 -4.828 -13.580 1.00 0.00 C ATOM 164 O ASP A 14 -1.661 -4.835 -14.036 1.00 0.00 O ATOM 165 CB ASP A 14 -3.623 -7.137 -13.072 1.00 0.00 C ATOM 166 CG ASP A 14 -4.655 -6.986 -14.172 1.00 0.00 C ATOM 167 OD1 ASP A 14 -4.255 -6.802 -15.340 1.00 0.00 O ATOM 168 OD2 ASP A 14 -5.864 -7.052 -13.865 1.00 0.00 O ATOM 0 H ASP A 14 -5.123 -5.836 -11.613 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.353 -5.945 -11.814 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -2.742 -7.639 -13.471 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -4.025 -7.776 -12.286 1.00 0.00 H new ATOM 173 N ASP A 15 -3.750 -4.000 -14.012 1.00 0.00 N ATOM 174 CA ASP A 15 -3.492 -3.029 -15.068 1.00 0.00 C ATOM 175 C ASP A 15 -3.467 -1.610 -14.508 1.00 0.00 C ATOM 176 O ASP A 15 -2.597 -0.811 -14.854 1.00 0.00 O ATOM 177 CB ASP A 15 -4.554 -3.140 -16.163 1.00 0.00 C ATOM 178 CG ASP A 15 -5.930 -2.729 -15.678 1.00 0.00 C ATOM 179 OD1 ASP A 15 -6.454 -3.386 -14.755 1.00 0.00 O ATOM 180 OD2 ASP A 15 -6.484 -1.751 -16.223 1.00 0.00 O ATOM 0 H ASP A 15 -4.702 -3.982 -13.647 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.514 -3.248 -15.497 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.268 -2.514 -17.008 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.592 -4.167 -16.526 1.00 0.00 H new ATOM 185 N SER A 16 -4.429 -1.304 -13.643 1.00 0.00 N ATOM 186 CA SER A 16 -4.520 0.020 -13.038 1.00 0.00 C ATOM 187 C SER A 16 -3.255 0.347 -12.252 1.00 0.00 C ATOM 188 O SER A 16 -2.825 1.499 -12.195 1.00 0.00 O ATOM 189 CB SER A 16 -5.741 0.101 -12.119 1.00 0.00 C ATOM 190 OG SER A 16 -6.937 0.224 -12.869 1.00 0.00 O ATOM 0 H SER A 16 -5.156 -1.955 -13.346 1.00 0.00 H new ATOM 0 HA SER A 16 -4.628 0.751 -13.839 1.00 0.00 H new ATOM 0 HB2 SER A 16 -5.790 -0.791 -11.495 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.639 0.954 -11.448 1.00 0.00 H new ATOM 0 HG SER A 16 -7.702 0.272 -12.259 1.00 0.00 H new ATOM 196 N PHE A 17 -2.661 -0.676 -11.646 1.00 0.00 N ATOM 197 CA PHE A 17 -1.445 -0.499 -10.861 1.00 0.00 C ATOM 198 C PHE A 17 -0.392 0.268 -11.655 1.00 0.00 C ATOM 199 O PHE A 17 0.540 0.835 -11.085 1.00 0.00 O ATOM 200 CB PHE A 17 -0.887 -1.858 -10.432 1.00 0.00 C ATOM 201 CG PHE A 17 0.533 -1.796 -9.946 1.00 0.00 C ATOM 202 CD1 PHE A 17 1.566 -1.497 -10.819 1.00 0.00 C ATOM 203 CD2 PHE A 17 0.834 -2.038 -8.615 1.00 0.00 C ATOM 204 CE1 PHE A 17 2.873 -1.440 -10.375 1.00 0.00 C ATOM 205 CE2 PHE A 17 2.140 -1.983 -8.165 1.00 0.00 C ATOM 206 CZ PHE A 17 3.160 -1.682 -9.045 1.00 0.00 C ATOM 0 H PHE A 17 -3.002 -1.636 -11.684 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.697 0.079 -9.972 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.516 -2.267 -9.641 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.945 -2.548 -11.274 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.347 -1.306 -11.859 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.040 -2.272 -7.922 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.669 -1.207 -11.066 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.362 -2.175 -7.126 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.181 -1.636 -8.695 1.00 0.00 H new ATOM 216 N ASP A 18 -0.548 0.280 -12.975 1.00 0.00 N ATOM 217 CA ASP A 18 0.389 0.977 -13.849 1.00 0.00 C ATOM 218 C ASP A 18 0.004 2.446 -13.995 1.00 0.00 C ATOM 219 O ASP A 18 0.805 3.339 -13.721 1.00 0.00 O ATOM 220 CB ASP A 18 0.431 0.308 -15.223 1.00 0.00 C ATOM 221 CG ASP A 18 0.941 -1.118 -15.158 1.00 0.00 C ATOM 222 OD1 ASP A 18 2.173 -1.303 -15.072 1.00 0.00 O ATOM 223 OD2 ASP A 18 0.109 -2.049 -15.194 1.00 0.00 O ATOM 0 H ASP A 18 -1.314 -0.185 -13.463 1.00 0.00 H new ATOM 0 HA ASP A 18 1.380 0.923 -13.398 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -0.569 0.314 -15.657 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.070 0.889 -15.887 1.00 0.00 H new ATOM 228 N LYS A 19 -1.228 2.689 -14.431 1.00 0.00 N ATOM 229 CA LYS A 19 -1.720 4.049 -14.615 1.00 0.00 C ATOM 230 C LYS A 19 -1.958 4.728 -13.270 1.00 0.00 C ATOM 231 O LYS A 19 -2.320 5.902 -13.213 1.00 0.00 O ATOM 232 CB LYS A 19 -3.016 4.038 -15.429 1.00 0.00 C ATOM 233 CG LYS A 19 -4.244 3.676 -14.612 1.00 0.00 C ATOM 234 CD LYS A 19 -5.527 4.031 -15.345 1.00 0.00 C ATOM 235 CE LYS A 19 -5.757 3.118 -16.539 1.00 0.00 C ATOM 236 NZ LYS A 19 -5.779 1.682 -16.143 1.00 0.00 N ATOM 0 H LYS A 19 -1.904 1.961 -14.663 1.00 0.00 H new ATOM 0 HA LYS A 19 -0.962 4.613 -15.158 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.164 5.022 -15.875 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.914 3.328 -16.250 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.234 2.609 -14.391 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.213 4.199 -13.656 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.371 3.956 -14.660 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.481 5.067 -15.681 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.701 3.377 -17.018 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.971 3.279 -17.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.275 1.129 -16.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -4.804 1.333 -16.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.274 1.580 -15.234 1.00 0.00 H new ATOM 250 N ASN A 20 -1.750 3.981 -12.190 1.00 0.00 N ATOM 251 CA ASN A 20 -1.940 4.513 -10.845 1.00 0.00 C ATOM 252 C ASN A 20 -0.598 4.793 -10.176 1.00 0.00 C ATOM 253 O ASN A 20 -0.469 5.731 -9.389 1.00 0.00 O ATOM 254 CB ASN A 20 -2.751 3.531 -9.997 1.00 0.00 C ATOM 255 CG ASN A 20 -4.244 3.665 -10.226 1.00 0.00 C ATOM 256 OD1 ASN A 20 -4.978 4.128 -9.352 1.00 0.00 O ATOM 257 ND2 ASN A 20 -4.701 3.260 -11.405 1.00 0.00 N ATOM 0 H ASN A 20 -1.450 3.007 -12.220 1.00 0.00 H new ATOM 0 HA ASN A 20 -2.488 5.452 -10.926 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.441 2.512 -10.229 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.531 3.698 -8.943 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -5.697 3.326 -11.616 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.056 2.883 -12.100 1.00 0.00 H new ATOM 264 N VAL A 21 0.398 3.973 -10.495 1.00 0.00 N ATOM 265 CA VAL A 21 1.731 4.133 -9.926 1.00 0.00 C ATOM 266 C VAL A 21 2.694 4.738 -10.942 1.00 0.00 C ATOM 267 O VAL A 21 3.256 5.811 -10.719 1.00 0.00 O ATOM 268 CB VAL A 21 2.298 2.788 -9.436 1.00 0.00 C ATOM 269 CG1 VAL A 21 3.761 2.934 -9.045 1.00 0.00 C ATOM 270 CG2 VAL A 21 1.477 2.257 -8.271 1.00 0.00 C ATOM 0 H VAL A 21 0.307 3.191 -11.144 1.00 0.00 H new ATOM 0 HA VAL A 21 1.632 4.808 -9.076 1.00 0.00 H new ATOM 0 HB VAL A 21 2.236 2.069 -10.253 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.143 1.973 -8.701 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.337 3.266 -9.909 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.852 3.668 -8.244 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.892 1.306 -7.937 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.505 2.973 -7.450 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.445 2.111 -8.590 1.00 0.00 H new ATOM 280 N LEU A 22 2.878 4.043 -12.059 1.00 0.00 N ATOM 281 CA LEU A 22 3.773 4.511 -13.112 1.00 0.00 C ATOM 282 C LEU A 22 3.311 5.857 -13.661 1.00 0.00 C ATOM 283 O LEU A 22 4.062 6.833 -13.653 1.00 0.00 O ATOM 284 CB LEU A 22 3.843 3.483 -14.243 1.00 0.00 C ATOM 285 CG LEU A 22 4.246 2.065 -13.837 1.00 0.00 C ATOM 286 CD1 LEU A 22 4.244 1.143 -15.047 1.00 0.00 C ATOM 287 CD2 LEU A 22 5.614 2.070 -13.170 1.00 0.00 C ATOM 0 H LEU A 22 2.420 3.154 -12.259 1.00 0.00 H new ATOM 0 HA LEU A 22 4.766 4.637 -12.681 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.867 3.438 -14.727 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.552 3.841 -14.989 1.00 0.00 H new ATOM 0 HG LEU A 22 3.516 1.691 -13.120 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.533 0.138 -14.739 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.245 1.116 -15.482 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.952 1.513 -15.788 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.885 1.053 -12.888 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.356 2.464 -13.865 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.582 2.697 -12.279 1.00 0.00 H new ATOM 299 N ASP A 23 2.070 5.902 -14.135 1.00 0.00 N ATOM 300 CA ASP A 23 1.507 7.130 -14.684 1.00 0.00 C ATOM 301 C ASP A 23 1.506 8.242 -13.641 1.00 0.00 C ATOM 302 O ASP A 23 1.247 9.404 -13.957 1.00 0.00 O ATOM 303 CB ASP A 23 0.083 6.883 -15.185 1.00 0.00 C ATOM 304 CG ASP A 23 -0.577 8.146 -15.701 1.00 0.00 C ATOM 305 OD1 ASP A 23 0.013 8.807 -16.582 1.00 0.00 O ATOM 306 OD2 ASP A 23 -1.684 8.474 -15.226 1.00 0.00 O ATOM 0 H ASP A 23 1.436 5.103 -14.150 1.00 0.00 H new ATOM 0 HA ASP A 23 2.130 7.443 -15.522 1.00 0.00 H new ATOM 0 HB2 ASP A 23 0.105 6.137 -15.980 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -0.517 6.468 -14.375 1.00 0.00 H new ATOM 311 N SER A 24 1.796 7.879 -12.395 1.00 0.00 N ATOM 312 CA SER A 24 1.824 8.846 -11.304 1.00 0.00 C ATOM 313 C SER A 24 3.257 9.131 -10.867 1.00 0.00 C ATOM 314 O SER A 24 3.905 8.291 -10.243 1.00 0.00 O ATOM 315 CB SER A 24 1.010 8.329 -10.116 1.00 0.00 C ATOM 316 OG SER A 24 0.574 9.397 -9.293 1.00 0.00 O ATOM 0 H SER A 24 2.015 6.922 -12.116 1.00 0.00 H new ATOM 0 HA SER A 24 1.381 9.775 -11.663 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.148 7.769 -10.478 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.615 7.638 -9.530 1.00 0.00 H new ATOM 0 HG SER A 24 1.322 10.007 -9.125 1.00 0.00 H new ATOM 322 N GLU A 25 3.745 10.321 -11.201 1.00 0.00 N ATOM 323 CA GLU A 25 5.103 10.717 -10.845 1.00 0.00 C ATOM 324 C GLU A 25 5.319 10.621 -9.337 1.00 0.00 C ATOM 325 O GLU A 25 6.454 10.643 -8.860 1.00 0.00 O ATOM 326 CB GLU A 25 5.384 12.144 -11.322 1.00 0.00 C ATOM 327 CG GLU A 25 5.872 12.220 -12.758 1.00 0.00 C ATOM 328 CD GLU A 25 6.403 13.593 -13.122 1.00 0.00 C ATOM 329 OE1 GLU A 25 5.614 14.561 -13.098 1.00 0.00 O ATOM 330 OE2 GLU A 25 7.608 13.700 -13.430 1.00 0.00 O ATOM 0 H GLU A 25 3.221 11.028 -11.717 1.00 0.00 H new ATOM 0 HA GLU A 25 5.795 10.034 -11.338 1.00 0.00 H new ATOM 0 HB2 GLU A 25 4.474 12.737 -11.224 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.131 12.596 -10.669 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.657 11.479 -12.911 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.054 11.961 -13.430 1.00 0.00 H new ATOM 337 N ASP A 26 4.223 10.517 -8.594 1.00 0.00 N ATOM 338 CA ASP A 26 4.292 10.417 -7.140 1.00 0.00 C ATOM 339 C ASP A 26 4.658 9.000 -6.710 1.00 0.00 C ATOM 340 O ASP A 26 4.467 8.043 -7.460 1.00 0.00 O ATOM 341 CB ASP A 26 2.956 10.824 -6.517 1.00 0.00 C ATOM 342 CG ASP A 26 2.324 12.008 -7.222 1.00 0.00 C ATOM 343 OD1 ASP A 26 2.752 13.152 -6.960 1.00 0.00 O ATOM 344 OD2 ASP A 26 1.403 11.790 -8.036 1.00 0.00 O ATOM 0 H ASP A 26 3.276 10.500 -8.974 1.00 0.00 H new ATOM 0 HA ASP A 26 5.070 11.096 -6.789 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.270 9.977 -6.550 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.109 11.070 -5.466 1.00 0.00 H new ATOM 349 N VAL A 27 5.186 8.874 -5.496 1.00 0.00 N ATOM 350 CA VAL A 27 5.579 7.574 -4.965 1.00 0.00 C ATOM 351 C VAL A 27 4.361 6.763 -4.539 1.00 0.00 C ATOM 352 O VAL A 27 3.433 7.294 -3.928 1.00 0.00 O ATOM 353 CB VAL A 27 6.529 7.724 -3.762 1.00 0.00 C ATOM 354 CG1 VAL A 27 6.934 6.358 -3.228 1.00 0.00 C ATOM 355 CG2 VAL A 27 7.755 8.538 -4.149 1.00 0.00 C ATOM 0 H VAL A 27 5.351 9.656 -4.862 1.00 0.00 H new ATOM 0 HA VAL A 27 6.099 7.049 -5.766 1.00 0.00 H new ATOM 0 HB VAL A 27 6.002 8.257 -2.970 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.605 6.484 -2.378 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.045 5.813 -2.910 1.00 0.00 H new ATOM 0 HG13 VAL A 27 7.442 5.797 -4.012 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.415 8.634 -3.287 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.285 8.035 -4.958 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.444 9.529 -4.480 1.00 0.00 H new ATOM 365 N TRP A 28 4.371 5.476 -4.863 1.00 0.00 N ATOM 366 CA TRP A 28 3.266 4.591 -4.513 1.00 0.00 C ATOM 367 C TRP A 28 3.762 3.389 -3.718 1.00 0.00 C ATOM 368 O TRP A 28 4.556 2.589 -4.214 1.00 0.00 O ATOM 369 CB TRP A 28 2.543 4.119 -5.776 1.00 0.00 C ATOM 370 CG TRP A 28 1.548 5.111 -6.297 1.00 0.00 C ATOM 371 CD1 TRP A 28 1.819 6.262 -6.979 1.00 0.00 C ATOM 372 CD2 TRP A 28 0.123 5.040 -6.175 1.00 0.00 C ATOM 373 NE1 TRP A 28 0.648 6.912 -7.289 1.00 0.00 N ATOM 374 CE2 TRP A 28 -0.406 6.181 -6.808 1.00 0.00 C ATOM 375 CE3 TRP A 28 -0.757 4.122 -5.595 1.00 0.00 C ATOM 376 CZ2 TRP A 28 -1.775 6.428 -6.874 1.00 0.00 C ATOM 377 CZ3 TRP A 28 -2.115 4.368 -5.662 1.00 0.00 C ATOM 378 CH2 TRP A 28 -2.614 5.512 -6.298 1.00 0.00 C ATOM 0 H TRP A 28 5.132 5.021 -5.368 1.00 0.00 H new ATOM 0 HA TRP A 28 2.568 5.152 -3.891 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.280 3.913 -6.552 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.032 3.180 -5.564 1.00 0.00 H new ATOM 0 HD1 TRP A 28 2.808 6.611 -7.237 1.00 0.00 H new ATOM 0 HE1 TRP A 28 0.576 7.795 -7.795 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.382 3.236 -5.103 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.161 7.311 -7.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -2.804 3.666 -5.216 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -3.681 5.675 -6.335 1.00 0.00 H new ATOM 389 N MET A 29 3.291 3.267 -2.481 1.00 0.00 N ATOM 390 CA MET A 29 3.687 2.160 -1.618 1.00 0.00 C ATOM 391 C MET A 29 2.685 1.013 -1.710 1.00 0.00 C ATOM 392 O MET A 29 1.588 1.087 -1.157 1.00 0.00 O ATOM 393 CB MET A 29 3.805 2.633 -0.168 1.00 0.00 C ATOM 394 CG MET A 29 5.192 3.138 0.195 1.00 0.00 C ATOM 395 SD MET A 29 5.352 3.530 1.948 1.00 0.00 S ATOM 396 CE MET A 29 6.458 2.228 2.486 1.00 0.00 C ATOM 0 H MET A 29 2.635 3.921 -2.054 1.00 0.00 H new ATOM 0 HA MET A 29 4.658 1.799 -1.956 1.00 0.00 H new ATOM 0 HB2 MET A 29 3.080 3.428 0.006 1.00 0.00 H new ATOM 0 HB3 MET A 29 3.541 1.810 0.497 1.00 0.00 H new ATOM 0 HG2 MET A 29 5.931 2.383 -0.073 1.00 0.00 H new ATOM 0 HG3 MET A 29 5.416 4.027 -0.394 1.00 0.00 H new ATOM 0 HE1 MET A 29 6.891 2.494 3.450 1.00 0.00 H new ATOM 0 HE2 MET A 29 5.902 1.295 2.582 1.00 0.00 H new ATOM 0 HE3 MET A 29 7.255 2.102 1.753 1.00 0.00 H new ATOM 406 N VAL A 30 3.070 -0.047 -2.414 1.00 0.00 N ATOM 407 CA VAL A 30 2.206 -1.210 -2.578 1.00 0.00 C ATOM 408 C VAL A 30 2.438 -2.228 -1.468 1.00 0.00 C ATOM 409 O VAL A 30 3.570 -2.637 -1.214 1.00 0.00 O ATOM 410 CB VAL A 30 2.435 -1.891 -3.940 1.00 0.00 C ATOM 411 CG1 VAL A 30 1.529 -3.104 -4.090 1.00 0.00 C ATOM 412 CG2 VAL A 30 2.208 -0.903 -5.075 1.00 0.00 C ATOM 0 H VAL A 30 3.974 -0.124 -2.880 1.00 0.00 H new ATOM 0 HA VAL A 30 1.178 -0.850 -2.528 1.00 0.00 H new ATOM 0 HB VAL A 30 3.469 -2.232 -3.986 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.705 -3.572 -5.059 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.745 -3.820 -3.297 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.487 -2.791 -4.023 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.374 -1.401 -6.030 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.185 -0.530 -5.034 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.902 -0.069 -4.976 1.00 0.00 H new ATOM 422 N GLU A 31 1.357 -2.634 -0.808 1.00 0.00 N ATOM 423 CA GLU A 31 1.444 -3.605 0.276 1.00 0.00 C ATOM 424 C GLU A 31 0.558 -4.815 -0.006 1.00 0.00 C ATOM 425 O GLU A 31 -0.648 -4.786 0.236 1.00 0.00 O ATOM 426 CB GLU A 31 1.037 -2.959 1.602 1.00 0.00 C ATOM 427 CG GLU A 31 0.714 -3.964 2.695 1.00 0.00 C ATOM 428 CD GLU A 31 1.888 -4.864 3.025 1.00 0.00 C ATOM 429 OE1 GLU A 31 2.060 -5.893 2.338 1.00 0.00 O ATOM 430 OE2 GLU A 31 2.636 -4.539 3.971 1.00 0.00 O ATOM 0 H GLU A 31 0.412 -2.305 -1.005 1.00 0.00 H new ATOM 0 HA GLU A 31 2.478 -3.942 0.346 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.844 -2.311 1.943 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.167 -2.324 1.435 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.406 -3.431 3.594 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.132 -4.576 2.382 1.00 0.00 H new ATOM 437 N PHE A 32 1.167 -5.879 -0.519 1.00 0.00 N ATOM 438 CA PHE A 32 0.435 -7.100 -0.835 1.00 0.00 C ATOM 439 C PHE A 32 -0.004 -7.817 0.438 1.00 0.00 C ATOM 440 O PHE A 32 0.813 -8.110 1.312 1.00 0.00 O ATOM 441 CB PHE A 32 1.300 -8.032 -1.686 1.00 0.00 C ATOM 442 CG PHE A 32 1.819 -7.390 -2.941 1.00 0.00 C ATOM 443 CD1 PHE A 32 2.972 -6.622 -2.915 1.00 0.00 C ATOM 444 CD2 PHE A 32 1.155 -7.554 -4.145 1.00 0.00 C ATOM 445 CE1 PHE A 32 3.451 -6.029 -4.068 1.00 0.00 C ATOM 446 CE2 PHE A 32 1.629 -6.963 -5.301 1.00 0.00 C ATOM 447 CZ PHE A 32 2.780 -6.201 -5.262 1.00 0.00 C ATOM 0 H PHE A 32 2.165 -5.920 -0.725 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.455 -6.824 -1.400 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.144 -8.377 -1.089 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.716 -8.913 -1.953 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.502 -6.485 -1.984 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.256 -8.151 -4.181 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.350 -5.431 -4.035 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.100 -7.097 -6.233 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.155 -5.740 -6.164 1.00 0.00 H new ATOM 457 N TYR A 33 -1.299 -8.095 0.537 1.00 0.00 N ATOM 458 CA TYR A 33 -1.848 -8.775 1.704 1.00 0.00 C ATOM 459 C TYR A 33 -2.795 -9.895 1.287 1.00 0.00 C ATOM 460 O TYR A 33 -3.201 -9.981 0.129 1.00 0.00 O ATOM 461 CB TYR A 33 -2.583 -7.778 2.602 1.00 0.00 C ATOM 462 CG TYR A 33 -3.946 -7.384 2.079 1.00 0.00 C ATOM 463 CD1 TYR A 33 -5.019 -8.265 2.147 1.00 0.00 C ATOM 464 CD2 TYR A 33 -4.162 -6.132 1.516 1.00 0.00 C ATOM 465 CE1 TYR A 33 -6.266 -7.910 1.670 1.00 0.00 C ATOM 466 CE2 TYR A 33 -5.406 -5.768 1.039 1.00 0.00 C ATOM 467 CZ TYR A 33 -6.455 -6.660 1.118 1.00 0.00 C ATOM 468 OH TYR A 33 -7.695 -6.302 0.641 1.00 0.00 O ATOM 0 H TYR A 33 -1.988 -7.860 -0.177 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.020 -9.213 2.260 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.696 -8.211 3.596 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.972 -6.882 2.712 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.875 -9.244 2.580 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.343 -5.431 1.450 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -7.089 -8.607 1.729 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -5.557 -4.790 0.606 1.00 0.00 H new ATOM 0 HH TYR A 33 -7.658 -5.389 0.286 1.00 0.00 H new ATOM 478 N ALA A 34 -3.143 -10.753 2.241 1.00 0.00 N ATOM 479 CA ALA A 34 -4.045 -11.867 1.975 1.00 0.00 C ATOM 480 C ALA A 34 -5.259 -11.823 2.897 1.00 0.00 C ATOM 481 O ALA A 34 -5.139 -11.686 4.114 1.00 0.00 O ATOM 482 CB ALA A 34 -3.309 -13.190 2.130 1.00 0.00 C ATOM 0 H ALA A 34 -2.814 -10.698 3.205 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.399 -11.779 0.948 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.994 -14.013 1.929 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.478 -13.229 1.426 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.927 -13.277 3.147 1.00 0.00 H new ATOM 488 N PRO A 35 -6.457 -11.942 2.305 1.00 0.00 N ATOM 489 CA PRO A 35 -7.716 -11.918 3.055 1.00 0.00 C ATOM 490 C PRO A 35 -7.905 -13.167 3.909 1.00 0.00 C ATOM 491 O PRO A 35 -8.797 -13.223 4.755 1.00 0.00 O ATOM 492 CB PRO A 35 -8.781 -11.855 1.958 1.00 0.00 C ATOM 493 CG PRO A 35 -8.132 -12.464 0.763 1.00 0.00 C ATOM 494 CD PRO A 35 -6.674 -12.108 0.858 1.00 0.00 C ATOM 0 HA PRO A 35 -7.757 -11.085 3.756 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -9.677 -12.405 2.245 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -9.087 -10.827 1.762 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.270 -13.545 0.752 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.569 -12.078 -0.158 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.041 -12.893 0.444 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.447 -11.193 0.310 1.00 0.00 H new ATOM 502 N TRP A 36 -7.060 -14.167 3.683 1.00 0.00 N ATOM 503 CA TRP A 36 -7.135 -15.415 4.433 1.00 0.00 C ATOM 504 C TRP A 36 -5.878 -15.622 5.272 1.00 0.00 C ATOM 505 O TRP A 36 -5.597 -16.734 5.721 1.00 0.00 O ATOM 506 CB TRP A 36 -7.326 -16.596 3.479 1.00 0.00 C ATOM 507 CG TRP A 36 -6.568 -16.452 2.195 1.00 0.00 C ATOM 508 CD1 TRP A 36 -7.095 -16.277 0.947 1.00 0.00 C ATOM 509 CD2 TRP A 36 -5.145 -16.472 2.033 1.00 0.00 C ATOM 510 NE1 TRP A 36 -6.085 -16.187 0.019 1.00 0.00 N ATOM 511 CE2 TRP A 36 -4.880 -16.303 0.660 1.00 0.00 C ATOM 512 CE3 TRP A 36 -4.070 -16.615 2.914 1.00 0.00 C ATOM 513 CZ2 TRP A 36 -3.585 -16.275 0.150 1.00 0.00 C ATOM 514 CZ3 TRP A 36 -2.785 -16.587 2.406 1.00 0.00 C ATOM 515 CH2 TRP A 36 -2.551 -16.417 1.035 1.00 0.00 C ATOM 0 H TRP A 36 -6.315 -14.138 2.987 1.00 0.00 H new ATOM 0 HA TRP A 36 -7.992 -15.356 5.104 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -7.010 -17.512 3.978 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -8.387 -16.705 3.256 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -8.150 -16.218 0.723 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -6.212 -16.055 -0.984 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -4.240 -16.745 3.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -3.403 -16.146 -0.907 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -1.946 -16.698 3.078 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.535 -16.398 0.670 1.00 0.00 H new ATOM 526 N CYS A 37 -5.127 -14.547 5.479 1.00 0.00 N ATOM 527 CA CYS A 37 -3.900 -14.611 6.264 1.00 0.00 C ATOM 528 C CYS A 37 -3.963 -13.657 7.452 1.00 0.00 C ATOM 529 O CYS A 37 -4.441 -12.530 7.331 1.00 0.00 O ATOM 530 CB CYS A 37 -2.691 -14.276 5.389 1.00 0.00 C ATOM 531 SG CYS A 37 -1.098 -14.676 6.145 1.00 0.00 S ATOM 0 H CYS A 37 -5.346 -13.620 5.114 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.794 -15.627 6.643 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.779 -14.815 4.446 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.711 -13.212 5.152 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.138 -14.358 5.328 1.00 0.00 H new ATOM 537 N GLY A 38 -3.479 -14.118 8.602 1.00 0.00 N ATOM 538 CA GLY A 38 -3.492 -13.293 9.796 1.00 0.00 C ATOM 539 C GLY A 38 -2.544 -12.114 9.696 1.00 0.00 C ATOM 540 O GLY A 38 -2.918 -10.980 9.999 1.00 0.00 O ATOM 0 H GLY A 38 -3.078 -15.048 8.728 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.504 -12.928 9.971 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.220 -13.902 10.658 1.00 0.00 H new ATOM 544 N HIS A 39 -1.313 -12.381 9.273 1.00 0.00 N ATOM 545 CA HIS A 39 -0.308 -11.333 9.135 1.00 0.00 C ATOM 546 C HIS A 39 -0.905 -10.089 8.484 1.00 0.00 C ATOM 547 O HIS A 39 -0.383 -8.984 8.639 1.00 0.00 O ATOM 548 CB HIS A 39 0.876 -11.837 8.309 1.00 0.00 C ATOM 549 CG HIS A 39 1.403 -13.163 8.764 1.00 0.00 C ATOM 550 ND1 HIS A 39 1.619 -14.221 7.907 1.00 0.00 N ATOM 551 CD2 HIS A 39 1.758 -13.599 9.995 1.00 0.00 C ATOM 552 CE1 HIS A 39 2.084 -15.251 8.591 1.00 0.00 C ATOM 553 NE2 HIS A 39 2.178 -14.899 9.861 1.00 0.00 N ATOM 0 H HIS A 39 -0.987 -13.314 9.020 1.00 0.00 H new ATOM 0 HA HIS A 39 0.042 -11.067 10.132 1.00 0.00 H new ATOM 0 HB2 HIS A 39 0.573 -11.915 7.265 1.00 0.00 H new ATOM 0 HB3 HIS A 39 1.679 -11.101 8.354 1.00 0.00 H new ATOM 0 HD1 HIS A 39 1.447 -14.210 6.902 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.718 -13.030 10.912 1.00 0.00 H new ATOM 0 HE1 HIS A 39 2.343 -16.216 8.182 1.00 0.00 H new ATOM 562 N CYS A 40 -2.000 -10.276 7.756 1.00 0.00 N ATOM 563 CA CYS A 40 -2.668 -9.170 7.080 1.00 0.00 C ATOM 564 C CYS A 40 -3.746 -8.560 7.970 1.00 0.00 C ATOM 565 O CYS A 40 -3.824 -7.341 8.124 1.00 0.00 O ATOM 566 CB CYS A 40 -3.284 -9.646 5.764 1.00 0.00 C ATOM 567 SG CYS A 40 -4.691 -8.656 5.206 1.00 0.00 S ATOM 0 H CYS A 40 -2.444 -11.184 7.619 1.00 0.00 H new ATOM 0 HA CYS A 40 -1.923 -8.404 6.867 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.516 -9.634 4.991 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.605 -10.681 5.879 1.00 0.00 H new ATOM 0 HG CYS A 40 -4.509 -8.301 3.969 1.00 0.00 H new ATOM 573 N LYS A 41 -4.579 -9.417 8.552 1.00 0.00 N ATOM 574 CA LYS A 41 -5.654 -8.964 9.427 1.00 0.00 C ATOM 575 C LYS A 41 -5.124 -8.010 10.492 1.00 0.00 C ATOM 576 O LYS A 41 -5.819 -7.085 10.911 1.00 0.00 O ATOM 577 CB LYS A 41 -6.336 -10.162 10.093 1.00 0.00 C ATOM 578 CG LYS A 41 -5.697 -10.571 11.409 1.00 0.00 C ATOM 579 CD LYS A 41 -6.571 -11.551 12.172 1.00 0.00 C ATOM 580 CE LYS A 41 -6.896 -12.778 11.334 1.00 0.00 C ATOM 581 NZ LYS A 41 -7.919 -13.641 11.987 1.00 0.00 N ATOM 0 H LYS A 41 -4.530 -10.429 8.433 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.384 -8.430 8.818 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.385 -9.922 10.267 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.313 -11.010 9.408 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.724 -11.023 11.217 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.522 -9.686 12.020 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.063 -11.858 13.086 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.496 -11.058 12.471 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.258 -12.464 10.355 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.987 -13.355 11.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.113 -14.466 11.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.564 -13.962 12.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.796 -13.098 12.123 1.00 0.00 H new ATOM 595 N ASN A 42 -3.889 -8.240 10.925 1.00 0.00 N ATOM 596 CA ASN A 42 -3.266 -7.400 11.941 1.00 0.00 C ATOM 597 C ASN A 42 -2.638 -6.160 11.311 1.00 0.00 C ATOM 598 O ASN A 42 -2.489 -5.126 11.964 1.00 0.00 O ATOM 599 CB ASN A 42 -2.203 -8.191 12.705 1.00 0.00 C ATOM 600 CG ASN A 42 -1.123 -7.299 13.285 1.00 0.00 C ATOM 601 OD1 ASN A 42 -1.410 -6.360 14.027 1.00 0.00 O ATOM 602 ND2 ASN A 42 0.128 -7.588 12.948 1.00 0.00 N ATOM 0 H ASN A 42 -3.300 -9.001 10.588 1.00 0.00 H new ATOM 0 HA ASN A 42 -4.041 -7.080 12.637 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -2.679 -8.750 13.510 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.747 -8.921 12.036 1.00 0.00 H new ATOM 0 HD21 ASN A 42 0.897 -7.022 13.307 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.321 -8.376 12.330 1.00 0.00 H new ATOM 609 N LEU A 43 -2.272 -6.270 10.039 1.00 0.00 N ATOM 610 CA LEU A 43 -1.661 -5.158 9.319 1.00 0.00 C ATOM 611 C LEU A 43 -2.724 -4.193 8.805 1.00 0.00 C ATOM 612 O LEU A 43 -2.428 -3.041 8.489 1.00 0.00 O ATOM 613 CB LEU A 43 -0.821 -5.680 8.152 1.00 0.00 C ATOM 614 CG LEU A 43 -0.232 -4.619 7.222 1.00 0.00 C ATOM 615 CD1 LEU A 43 0.947 -3.923 7.885 1.00 0.00 C ATOM 616 CD2 LEU A 43 0.189 -5.244 5.900 1.00 0.00 C ATOM 0 H LEU A 43 -2.388 -7.118 9.484 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.014 -4.620 10.012 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.002 -6.274 8.557 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.439 -6.353 7.558 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.000 -3.873 7.020 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.353 -3.171 7.208 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.615 -3.442 8.805 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.719 -4.657 8.118 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.606 -4.475 5.250 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.941 -6.011 6.083 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.679 -5.695 5.418 1.00 0.00 H new ATOM 628 N GLU A 44 -3.962 -4.671 8.724 1.00 0.00 N ATOM 629 CA GLU A 44 -5.068 -3.849 8.249 1.00 0.00 C ATOM 630 C GLU A 44 -4.985 -2.439 8.826 1.00 0.00 C ATOM 631 O GLU A 44 -4.884 -1.449 8.101 1.00 0.00 O ATOM 632 CB GLU A 44 -6.406 -4.488 8.626 1.00 0.00 C ATOM 633 CG GLU A 44 -7.504 -3.478 8.913 1.00 0.00 C ATOM 634 CD GLU A 44 -7.839 -2.622 7.707 1.00 0.00 C ATOM 635 OE1 GLU A 44 -7.657 -3.103 6.570 1.00 0.00 O ATOM 636 OE2 GLU A 44 -8.283 -1.471 7.901 1.00 0.00 O ATOM 0 H GLU A 44 -4.224 -5.623 8.981 1.00 0.00 H new ATOM 0 HA GLU A 44 -4.998 -3.783 7.163 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.728 -5.141 7.815 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.264 -5.117 9.505 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.400 -4.005 9.240 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.194 -2.834 9.736 1.00 0.00 H new ATOM 643 N PRO A 45 -5.031 -2.344 10.164 1.00 0.00 N ATOM 644 CA PRO A 45 -4.962 -1.060 10.869 1.00 0.00 C ATOM 645 C PRO A 45 -3.583 -0.418 10.772 1.00 0.00 C ATOM 646 O PRO A 45 -3.463 0.800 10.649 1.00 0.00 O ATOM 647 CB PRO A 45 -5.277 -1.435 12.319 1.00 0.00 C ATOM 648 CG PRO A 45 -4.880 -2.867 12.435 1.00 0.00 C ATOM 649 CD PRO A 45 -5.151 -3.482 11.090 1.00 0.00 C ATOM 0 HA PRO A 45 -5.647 -0.325 10.446 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.720 -0.812 13.019 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.335 -1.298 12.542 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.827 -2.960 12.702 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -5.452 -3.368 13.216 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.433 -4.268 10.856 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -6.143 -3.933 11.047 1.00 0.00 H new ATOM 657 N GLU A 46 -2.544 -1.246 10.827 1.00 0.00 N ATOM 658 CA GLU A 46 -1.173 -0.757 10.746 1.00 0.00 C ATOM 659 C GLU A 46 -0.930 -0.036 9.423 1.00 0.00 C ATOM 660 O GLU A 46 -0.147 0.911 9.356 1.00 0.00 O ATOM 661 CB GLU A 46 -0.185 -1.916 10.897 1.00 0.00 C ATOM 662 CG GLU A 46 -0.257 -2.606 12.249 1.00 0.00 C ATOM 663 CD GLU A 46 0.767 -3.715 12.393 1.00 0.00 C ATOM 664 OE1 GLU A 46 0.922 -4.506 11.439 1.00 0.00 O ATOM 665 OE2 GLU A 46 1.413 -3.792 13.459 1.00 0.00 O ATOM 0 H GLU A 46 -2.626 -2.258 10.927 1.00 0.00 H new ATOM 0 HA GLU A 46 -1.018 -0.049 11.560 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -0.376 -2.649 10.114 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.827 -1.542 10.743 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.103 -1.869 13.037 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.256 -3.019 12.389 1.00 0.00 H new ATOM 672 N TRP A 47 -1.606 -0.492 8.375 1.00 0.00 N ATOM 673 CA TRP A 47 -1.464 0.109 7.054 1.00 0.00 C ATOM 674 C TRP A 47 -2.420 1.284 6.885 1.00 0.00 C ATOM 675 O TRP A 47 -2.054 2.318 6.326 1.00 0.00 O ATOM 676 CB TRP A 47 -1.721 -0.935 5.966 1.00 0.00 C ATOM 677 CG TRP A 47 -1.247 -0.508 4.610 1.00 0.00 C ATOM 678 CD1 TRP A 47 -2.020 -0.084 3.567 1.00 0.00 C ATOM 679 CD2 TRP A 47 0.108 -0.467 4.149 1.00 0.00 C ATOM 680 NE1 TRP A 47 -1.228 0.219 2.486 1.00 0.00 N ATOM 681 CE2 TRP A 47 0.082 -0.007 2.818 1.00 0.00 C ATOM 682 CE3 TRP A 47 1.341 -0.773 4.733 1.00 0.00 C ATOM 683 CZ2 TRP A 47 1.241 0.152 2.064 1.00 0.00 C ATOM 684 CZ3 TRP A 47 2.490 -0.614 3.982 1.00 0.00 C ATOM 685 CH2 TRP A 47 2.434 -0.154 2.660 1.00 0.00 C ATOM 0 H TRP A 47 -2.258 -1.276 8.414 1.00 0.00 H new ATOM 0 HA TRP A 47 -0.443 0.479 6.958 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.224 -1.865 6.240 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -2.789 -1.146 5.920 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -3.096 0.001 3.589 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -1.561 0.557 1.583 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.394 -1.127 5.752 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 1.200 0.505 1.044 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 3.448 -0.848 4.422 1.00 0.00 H new ATOM 0 HH2 TRP A 47 3.350 -0.039 2.100 1.00 0.00 H new ATOM 696 N ALA A 48 -3.646 1.119 7.371 1.00 0.00 N ATOM 697 CA ALA A 48 -4.654 2.168 7.275 1.00 0.00 C ATOM 698 C ALA A 48 -4.121 3.492 7.812 1.00 0.00 C ATOM 699 O ALA A 48 -4.164 4.513 7.126 1.00 0.00 O ATOM 700 CB ALA A 48 -5.913 1.761 8.025 1.00 0.00 C ATOM 0 H ALA A 48 -3.965 0.269 7.835 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.900 2.305 6.222 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.657 2.554 7.945 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.313 0.843 7.594 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.673 1.594 9.075 1.00 0.00 H new ATOM 706 N ALA A 49 -3.619 3.467 9.042 1.00 0.00 N ATOM 707 CA ALA A 49 -3.077 4.666 9.670 1.00 0.00 C ATOM 708 C ALA A 49 -1.848 5.170 8.921 1.00 0.00 C ATOM 709 O ALA A 49 -1.759 6.349 8.580 1.00 0.00 O ATOM 710 CB ALA A 49 -2.732 4.388 11.126 1.00 0.00 C ATOM 0 H ALA A 49 -3.576 2.630 9.623 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.839 5.444 9.630 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -2.328 5.291 11.583 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -3.631 4.081 11.661 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -1.989 3.592 11.178 1.00 0.00 H new ATOM 716 N ALA A 50 -0.904 4.270 8.667 1.00 0.00 N ATOM 717 CA ALA A 50 0.318 4.625 7.957 1.00 0.00 C ATOM 718 C ALA A 50 0.015 5.496 6.743 1.00 0.00 C ATOM 719 O ALA A 50 0.582 6.577 6.585 1.00 0.00 O ATOM 720 CB ALA A 50 1.066 3.369 7.534 1.00 0.00 C ATOM 0 H ALA A 50 -0.962 3.290 8.942 1.00 0.00 H new ATOM 0 HA ALA A 50 0.949 5.200 8.635 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.977 3.649 7.005 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.324 2.785 8.417 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.433 2.773 6.877 1.00 0.00 H new ATOM 726 N ALA A 51 -0.883 5.018 5.887 1.00 0.00 N ATOM 727 CA ALA A 51 -1.263 5.755 4.688 1.00 0.00 C ATOM 728 C ALA A 51 -1.714 7.170 5.032 1.00 0.00 C ATOM 729 O ALA A 51 -1.402 8.122 4.318 1.00 0.00 O ATOM 730 CB ALA A 51 -2.362 5.015 3.940 1.00 0.00 C ATOM 0 H ALA A 51 -1.361 4.124 6.002 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.387 5.829 4.044 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.636 5.577 3.047 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.004 4.027 3.652 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -3.235 4.911 4.585 1.00 0.00 H new ATOM 736 N SER A 52 -2.451 7.300 6.131 1.00 0.00 N ATOM 737 CA SER A 52 -2.949 8.599 6.568 1.00 0.00 C ATOM 738 C SER A 52 -1.821 9.447 7.147 1.00 0.00 C ATOM 739 O SER A 52 -1.801 10.667 6.984 1.00 0.00 O ATOM 740 CB SER A 52 -4.055 8.420 7.610 1.00 0.00 C ATOM 741 OG SER A 52 -5.326 8.321 6.993 1.00 0.00 O ATOM 0 H SER A 52 -2.716 6.522 6.735 1.00 0.00 H new ATOM 0 HA SER A 52 -3.358 9.115 5.699 1.00 0.00 H new ATOM 0 HB2 SER A 52 -3.862 7.523 8.199 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.048 9.263 8.301 1.00 0.00 H new ATOM 0 HG SER A 52 -6.015 8.205 7.680 1.00 0.00 H new ATOM 747 N GLU A 53 -0.883 8.791 7.823 1.00 0.00 N ATOM 748 CA GLU A 53 0.248 9.485 8.427 1.00 0.00 C ATOM 749 C GLU A 53 1.295 9.838 7.374 1.00 0.00 C ATOM 750 O GLU A 53 2.083 10.767 7.553 1.00 0.00 O ATOM 751 CB GLU A 53 0.880 8.621 9.521 1.00 0.00 C ATOM 752 CG GLU A 53 2.073 9.274 10.199 1.00 0.00 C ATOM 753 CD GLU A 53 1.665 10.232 11.301 1.00 0.00 C ATOM 754 OE1 GLU A 53 0.740 9.893 12.069 1.00 0.00 O ATOM 755 OE2 GLU A 53 2.269 11.320 11.395 1.00 0.00 O ATOM 0 H GLU A 53 -0.884 7.781 7.966 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.121 10.409 8.872 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.125 8.393 10.273 1.00 0.00 H new ATOM 0 HB3 GLU A 53 1.194 7.672 9.087 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.718 8.500 10.616 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.660 9.811 9.454 1.00 0.00 H new ATOM 762 N VAL A 54 1.298 9.088 6.276 1.00 0.00 N ATOM 763 CA VAL A 54 2.247 9.321 5.194 1.00 0.00 C ATOM 764 C VAL A 54 1.793 10.474 4.304 1.00 0.00 C ATOM 765 O VAL A 54 2.599 11.307 3.890 1.00 0.00 O ATOM 766 CB VAL A 54 2.431 8.061 4.328 1.00 0.00 C ATOM 767 CG1 VAL A 54 3.220 8.388 3.069 1.00 0.00 C ATOM 768 CG2 VAL A 54 3.117 6.963 5.127 1.00 0.00 C ATOM 0 H VAL A 54 0.654 8.314 6.113 1.00 0.00 H new ATOM 0 HA VAL A 54 3.200 9.576 5.658 1.00 0.00 H new ATOM 0 HB VAL A 54 1.447 7.701 4.027 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.340 7.485 2.470 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.685 9.140 2.489 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.202 8.773 3.345 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.239 6.079 4.501 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.095 7.311 5.458 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.508 6.710 5.995 1.00 0.00 H new ATOM 778 N LYS A 55 0.497 10.516 4.015 1.00 0.00 N ATOM 779 CA LYS A 55 -0.066 11.567 3.176 1.00 0.00 C ATOM 780 C LYS A 55 -0.158 12.883 3.941 1.00 0.00 C ATOM 781 O LYS A 55 -0.153 13.959 3.344 1.00 0.00 O ATOM 782 CB LYS A 55 -1.452 11.159 2.673 1.00 0.00 C ATOM 783 CG LYS A 55 -2.551 11.337 3.707 1.00 0.00 C ATOM 784 CD LYS A 55 -3.928 11.324 3.065 1.00 0.00 C ATOM 785 CE LYS A 55 -4.351 12.718 2.626 1.00 0.00 C ATOM 786 NZ LYS A 55 -5.807 12.784 2.318 1.00 0.00 N ATOM 0 H LYS A 55 -0.184 9.834 4.350 1.00 0.00 H new ATOM 0 HA LYS A 55 0.596 11.709 2.322 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.697 11.749 1.790 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.423 10.115 2.361 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.487 10.541 4.448 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.404 12.278 4.237 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.923 10.656 2.204 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -4.657 10.927 3.772 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.113 13.434 3.412 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.780 13.010 1.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.056 13.750 2.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -6.030 12.119 1.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -6.353 12.530 3.166 1.00 0.00 H new ATOM 800 N GLU A 56 -0.240 12.789 5.265 1.00 0.00 N ATOM 801 CA GLU A 56 -0.332 13.973 6.110 1.00 0.00 C ATOM 802 C GLU A 56 1.039 14.617 6.296 1.00 0.00 C ATOM 803 O GLU A 56 1.142 15.815 6.561 1.00 0.00 O ATOM 804 CB GLU A 56 -0.926 13.610 7.472 1.00 0.00 C ATOM 805 CG GLU A 56 0.104 13.112 8.472 1.00 0.00 C ATOM 806 CD GLU A 56 -0.470 12.940 9.865 1.00 0.00 C ATOM 807 OE1 GLU A 56 -1.303 12.028 10.054 1.00 0.00 O ATOM 808 OE2 GLU A 56 -0.087 13.715 10.765 1.00 0.00 O ATOM 0 H GLU A 56 -0.245 11.905 5.775 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.987 14.690 5.616 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.428 14.485 7.885 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.687 12.842 7.334 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.507 12.159 8.129 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.937 13.814 8.510 1.00 0.00 H new ATOM 815 N GLN A 57 2.088 13.813 6.155 1.00 0.00 N ATOM 816 CA GLN A 57 3.452 14.304 6.309 1.00 0.00 C ATOM 817 C GLN A 57 4.085 14.588 4.951 1.00 0.00 C ATOM 818 O GLN A 57 4.833 15.552 4.791 1.00 0.00 O ATOM 819 CB GLN A 57 4.299 13.288 7.077 1.00 0.00 C ATOM 820 CG GLN A 57 3.853 13.090 8.517 1.00 0.00 C ATOM 821 CD GLN A 57 4.720 12.095 9.264 1.00 0.00 C ATOM 822 OE1 GLN A 57 4.806 10.877 8.743 1.00 0.00 O flip ATOM 823 NE2 GLN A 57 5.305 12.418 10.299 1.00 0.00 N flip ATOM 0 H GLN A 57 2.019 12.819 5.935 1.00 0.00 H new ATOM 0 HA GLN A 57 3.414 15.235 6.874 1.00 0.00 H new ATOM 0 HB2 GLN A 57 4.261 12.330 6.559 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.339 13.614 7.069 1.00 0.00 H new ATOM 0 HG2 GLN A 57 3.877 14.048 9.036 1.00 0.00 H new ATOM 0 HG3 GLN A 57 2.819 12.746 8.529 1.00 0.00 H new ATOM 0 HE21 GLN A 57 5.210 13.366 10.664 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.884 11.738 10.791 1.00 0.00 H new ATOM 832 N THR A 58 3.780 13.740 3.973 1.00 0.00 N ATOM 833 CA THR A 58 4.320 13.898 2.628 1.00 0.00 C ATOM 834 C THR A 58 3.458 14.842 1.797 1.00 0.00 C ATOM 835 O THR A 58 3.627 14.946 0.582 1.00 0.00 O ATOM 836 CB THR A 58 4.424 12.544 1.902 1.00 0.00 C ATOM 837 OG1 THR A 58 3.135 12.142 1.426 1.00 0.00 O ATOM 838 CG2 THR A 58 4.985 11.475 2.828 1.00 0.00 C ATOM 0 H THR A 58 3.162 12.937 4.088 1.00 0.00 H new ATOM 0 HA THR A 58 5.318 14.322 2.736 1.00 0.00 H new ATOM 0 HB THR A 58 5.102 12.662 1.056 1.00 0.00 H new ATOM 0 HG1 THR A 58 2.672 11.635 2.125 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.049 10.527 2.293 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.979 11.770 3.164 1.00 0.00 H new ATOM 0 HG23 THR A 58 4.329 11.361 3.691 1.00 0.00 H new ATOM 846 N LYS A 59 2.534 15.530 2.460 1.00 0.00 N ATOM 847 CA LYS A 59 1.647 16.468 1.783 1.00 0.00 C ATOM 848 C LYS A 59 0.803 15.757 0.730 1.00 0.00 C ATOM 849 O LYS A 59 0.350 16.370 -0.235 1.00 0.00 O ATOM 850 CB LYS A 59 2.458 17.589 1.130 1.00 0.00 C ATOM 851 CG LYS A 59 3.237 18.435 2.123 1.00 0.00 C ATOM 852 CD LYS A 59 2.342 19.448 2.816 1.00 0.00 C ATOM 853 CE LYS A 59 2.130 20.684 1.956 1.00 0.00 C ATOM 854 NZ LYS A 59 1.475 21.784 2.718 1.00 0.00 N ATOM 0 H LYS A 59 2.380 15.455 3.466 1.00 0.00 H new ATOM 0 HA LYS A 59 0.979 16.899 2.529 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.154 17.153 0.413 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.783 18.234 0.567 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.701 17.788 2.868 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.043 18.955 1.606 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.379 18.990 3.041 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.787 19.738 3.768 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.090 21.029 1.573 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.517 20.425 1.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.348 22.609 2.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.547 21.463 3.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.072 22.049 3.527 1.00 0.00 H new ATOM 868 N GLY A 60 0.595 14.458 0.924 1.00 0.00 N ATOM 869 CA GLY A 60 -0.195 13.685 -0.017 1.00 0.00 C ATOM 870 C GLY A 60 0.639 13.126 -1.153 1.00 0.00 C ATOM 871 O GLY A 60 0.125 12.425 -2.024 1.00 0.00 O ATOM 0 H GLY A 60 0.959 13.927 1.715 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.682 12.864 0.510 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -0.985 14.314 -0.426 1.00 0.00 H new ATOM 875 N LYS A 61 1.931 13.440 -1.146 1.00 0.00 N ATOM 876 CA LYS A 61 2.839 12.965 -2.184 1.00 0.00 C ATOM 877 C LYS A 61 2.902 11.442 -2.197 1.00 0.00 C ATOM 878 O LYS A 61 2.335 10.794 -3.077 1.00 0.00 O ATOM 879 CB LYS A 61 4.240 13.543 -1.967 1.00 0.00 C ATOM 880 CG LYS A 61 5.278 12.996 -2.931 1.00 0.00 C ATOM 881 CD LYS A 61 5.167 13.649 -4.299 1.00 0.00 C ATOM 882 CE LYS A 61 6.479 13.564 -5.064 1.00 0.00 C ATOM 883 NZ LYS A 61 6.261 13.535 -6.537 1.00 0.00 N ATOM 0 H LYS A 61 2.372 14.021 -0.433 1.00 0.00 H new ATOM 0 HA LYS A 61 2.458 13.303 -3.148 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.197 14.627 -2.069 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.557 13.332 -0.946 1.00 0.00 H new ATOM 0 HG2 LYS A 61 6.276 13.164 -2.526 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.152 11.918 -3.030 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.378 13.163 -4.873 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.879 14.694 -4.183 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.106 14.418 -4.806 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.020 12.668 -4.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.769 12.725 -6.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.244 13.443 -6.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.618 14.416 -6.958 1.00 0.00 H new ATOM 897 N VAL A 62 3.594 10.874 -1.214 1.00 0.00 N ATOM 898 CA VAL A 62 3.729 9.426 -1.111 1.00 0.00 C ATOM 899 C VAL A 62 2.405 8.777 -0.721 1.00 0.00 C ATOM 900 O VAL A 62 1.950 8.902 0.416 1.00 0.00 O ATOM 901 CB VAL A 62 4.803 9.034 -0.079 1.00 0.00 C ATOM 902 CG1 VAL A 62 5.217 7.582 -0.264 1.00 0.00 C ATOM 903 CG2 VAL A 62 6.007 9.958 -0.186 1.00 0.00 C ATOM 0 H VAL A 62 4.070 11.395 -0.478 1.00 0.00 H new ATOM 0 HA VAL A 62 4.032 9.066 -2.094 1.00 0.00 H new ATOM 0 HB VAL A 62 4.379 9.141 0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.976 7.323 0.474 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.349 6.936 -0.133 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.623 7.444 -1.266 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.756 9.667 0.550 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.434 9.885 -1.186 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.695 10.985 0.001 1.00 0.00 H new ATOM 913 N LYS A 63 1.791 8.082 -1.673 1.00 0.00 N ATOM 914 CA LYS A 63 0.520 7.410 -1.430 1.00 0.00 C ATOM 915 C LYS A 63 0.740 5.949 -1.054 1.00 0.00 C ATOM 916 O LYS A 63 1.749 5.347 -1.423 1.00 0.00 O ATOM 917 CB LYS A 63 -0.372 7.500 -2.671 1.00 0.00 C ATOM 918 CG LYS A 63 -0.862 8.907 -2.967 1.00 0.00 C ATOM 919 CD LYS A 63 -1.264 9.063 -4.424 1.00 0.00 C ATOM 920 CE LYS A 63 -2.369 10.095 -4.590 1.00 0.00 C ATOM 921 NZ LYS A 63 -1.823 11.468 -4.768 1.00 0.00 N ATOM 0 H LYS A 63 2.153 7.970 -2.620 1.00 0.00 H new ATOM 0 HA LYS A 63 0.026 7.910 -0.597 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.181 7.128 -3.533 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.233 6.845 -2.538 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.713 9.139 -2.327 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.078 9.625 -2.726 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.396 9.360 -5.012 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.600 8.103 -4.815 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.983 9.834 -5.452 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.020 10.074 -3.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.607 12.142 -4.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.258 11.727 -3.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -1.222 11.495 -5.616 1.00 0.00 H new ATOM 935 N LEU A 64 -0.212 5.382 -0.320 1.00 0.00 N ATOM 936 CA LEU A 64 -0.123 3.989 0.105 1.00 0.00 C ATOM 937 C LEU A 64 -1.314 3.187 -0.408 1.00 0.00 C ATOM 938 O LEU A 64 -2.464 3.493 -0.093 1.00 0.00 O ATOM 939 CB LEU A 64 -0.055 3.904 1.630 1.00 0.00 C ATOM 940 CG LEU A 64 1.346 3.935 2.243 1.00 0.00 C ATOM 941 CD1 LEU A 64 1.930 5.337 2.170 1.00 0.00 C ATOM 942 CD2 LEU A 64 1.310 3.444 3.683 1.00 0.00 C ATOM 0 H LEU A 64 -1.054 5.865 -0.007 1.00 0.00 H new ATOM 0 HA LEU A 64 0.787 3.563 -0.317 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.630 4.731 2.046 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.547 2.984 1.945 1.00 0.00 H new ATOM 0 HG LEU A 64 1.987 3.266 1.669 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.927 5.339 2.611 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.993 5.651 1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.289 6.027 2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.316 3.473 4.103 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.653 4.086 4.270 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.935 2.421 3.709 1.00 0.00 H new ATOM 954 N ALA A 65 -1.031 2.157 -1.199 1.00 0.00 N ATOM 955 CA ALA A 65 -2.078 1.307 -1.752 1.00 0.00 C ATOM 956 C ALA A 65 -1.836 -0.158 -1.407 1.00 0.00 C ATOM 957 O ALA A 65 -0.741 -0.534 -0.990 1.00 0.00 O ATOM 958 CB ALA A 65 -2.165 1.490 -3.260 1.00 0.00 C ATOM 0 H ALA A 65 -0.085 1.891 -1.471 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.027 1.605 -1.306 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.951 0.849 -3.660 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.395 2.531 -3.488 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.212 1.221 -3.715 1.00 0.00 H new ATOM 964 N ALA A 66 -2.864 -0.981 -1.584 1.00 0.00 N ATOM 965 CA ALA A 66 -2.761 -2.406 -1.293 1.00 0.00 C ATOM 966 C ALA A 66 -3.175 -3.244 -2.499 1.00 0.00 C ATOM 967 O ALA A 66 -3.945 -2.792 -3.346 1.00 0.00 O ATOM 968 CB ALA A 66 -3.614 -2.760 -0.084 1.00 0.00 C ATOM 0 H ALA A 66 -3.778 -0.686 -1.928 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.719 -2.632 -1.067 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.528 -3.827 0.122 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -3.270 -2.194 0.782 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -4.656 -2.513 -0.289 1.00 0.00 H new ATOM 974 N VAL A 67 -2.656 -4.466 -2.570 1.00 0.00 N ATOM 975 CA VAL A 67 -2.972 -5.367 -3.672 1.00 0.00 C ATOM 976 C VAL A 67 -3.270 -6.773 -3.164 1.00 0.00 C ATOM 977 O VAL A 67 -2.591 -7.278 -2.270 1.00 0.00 O ATOM 978 CB VAL A 67 -1.818 -5.434 -4.690 1.00 0.00 C ATOM 979 CG1 VAL A 67 -2.178 -6.356 -5.845 1.00 0.00 C ATOM 980 CG2 VAL A 67 -1.472 -4.042 -5.196 1.00 0.00 C ATOM 0 H VAL A 67 -2.015 -4.854 -1.878 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.858 -4.967 -4.164 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.939 -5.842 -4.191 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.351 -6.391 -6.554 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.371 -7.359 -5.464 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.070 -5.980 -6.346 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.655 -4.109 -5.914 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.345 -3.603 -5.679 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.168 -3.415 -4.358 1.00 0.00 H new ATOM 990 N ASP A 68 -4.289 -7.400 -3.740 1.00 0.00 N ATOM 991 CA ASP A 68 -4.677 -8.750 -3.347 1.00 0.00 C ATOM 992 C ASP A 68 -3.947 -9.792 -4.190 1.00 0.00 C ATOM 993 O ASP A 68 -4.390 -10.139 -5.284 1.00 0.00 O ATOM 994 CB ASP A 68 -6.189 -8.930 -3.487 1.00 0.00 C ATOM 995 CG ASP A 68 -6.737 -8.275 -4.739 1.00 0.00 C ATOM 996 OD1 ASP A 68 -6.017 -8.250 -5.760 1.00 0.00 O ATOM 997 OD2 ASP A 68 -7.886 -7.788 -4.700 1.00 0.00 O ATOM 0 H ASP A 68 -4.862 -6.995 -4.481 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.398 -8.893 -2.303 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.425 -9.994 -3.504 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -6.685 -8.508 -2.613 1.00 0.00 H new ATOM 1002 N ALA A 69 -2.828 -10.286 -3.672 1.00 0.00 N ATOM 1003 CA ALA A 69 -2.038 -11.289 -4.376 1.00 0.00 C ATOM 1004 C ALA A 69 -2.897 -12.485 -4.772 1.00 0.00 C ATOM 1005 O ALA A 69 -2.500 -13.299 -5.608 1.00 0.00 O ATOM 1006 CB ALA A 69 -0.868 -11.739 -3.515 1.00 0.00 C ATOM 0 H ALA A 69 -2.448 -10.008 -2.767 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.650 -10.836 -5.288 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.287 -12.488 -4.053 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.234 -10.883 -3.287 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.244 -12.170 -2.587 1.00 0.00 H new ATOM 1012 N THR A 70 -4.076 -12.587 -4.168 1.00 0.00 N ATOM 1013 CA THR A 70 -4.990 -13.685 -4.456 1.00 0.00 C ATOM 1014 C THR A 70 -5.697 -13.476 -5.791 1.00 0.00 C ATOM 1015 O THR A 70 -6.091 -14.436 -6.453 1.00 0.00 O ATOM 1016 CB THR A 70 -6.048 -13.842 -3.348 1.00 0.00 C ATOM 1017 OG1 THR A 70 -6.863 -12.666 -3.279 1.00 0.00 O ATOM 1018 CG2 THR A 70 -5.387 -14.085 -2.000 1.00 0.00 C ATOM 0 H THR A 70 -4.421 -11.922 -3.476 1.00 0.00 H new ATOM 0 HA THR A 70 -4.388 -14.592 -4.504 1.00 0.00 H new ATOM 0 HB THR A 70 -6.671 -14.703 -3.591 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.534 -12.774 -2.573 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.154 -14.193 -1.233 1.00 0.00 H new ATOM 0 HG22 THR A 70 -4.790 -14.996 -2.047 1.00 0.00 H new ATOM 0 HG23 THR A 70 -4.743 -13.241 -1.753 1.00 0.00 H new ATOM 1026 N VAL A 71 -5.853 -12.215 -6.182 1.00 0.00 N ATOM 1027 CA VAL A 71 -6.510 -11.880 -7.439 1.00 0.00 C ATOM 1028 C VAL A 71 -5.507 -11.360 -8.462 1.00 0.00 C ATOM 1029 O VAL A 71 -5.605 -11.660 -9.651 1.00 0.00 O ATOM 1030 CB VAL A 71 -7.612 -10.824 -7.233 1.00 0.00 C ATOM 1031 CG1 VAL A 71 -8.222 -10.421 -8.566 1.00 0.00 C ATOM 1032 CG2 VAL A 71 -8.680 -11.347 -6.285 1.00 0.00 C ATOM 0 H VAL A 71 -5.533 -11.409 -5.646 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.963 -12.798 -7.813 1.00 0.00 H new ATOM 0 HB VAL A 71 -7.162 -9.938 -6.784 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.999 -9.674 -8.400 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -7.448 -10.002 -9.209 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.658 -11.297 -9.046 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -9.451 -10.588 -6.151 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.128 -12.249 -6.703 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.228 -11.580 -5.321 1.00 0.00 H new ATOM 1042 N ASN A 72 -4.542 -10.577 -7.991 1.00 0.00 N ATOM 1043 CA ASN A 72 -3.519 -10.014 -8.865 1.00 0.00 C ATOM 1044 C ASN A 72 -2.406 -11.025 -9.123 1.00 0.00 C ATOM 1045 O ASN A 72 -1.614 -11.330 -8.232 1.00 0.00 O ATOM 1046 CB ASN A 72 -2.935 -8.742 -8.247 1.00 0.00 C ATOM 1047 CG ASN A 72 -3.752 -7.509 -8.581 1.00 0.00 C ATOM 1048 OD1 ASN A 72 -3.330 -6.667 -9.374 1.00 0.00 O ATOM 1049 ND2 ASN A 72 -4.928 -7.397 -7.975 1.00 0.00 N ATOM 0 H ASN A 72 -4.447 -10.318 -7.009 1.00 0.00 H new ATOM 0 HA ASN A 72 -3.987 -9.766 -9.818 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -2.883 -8.858 -7.164 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -1.914 -8.605 -8.602 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.522 -6.589 -8.160 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -5.238 -8.119 -7.325 1.00 0.00 H new ATOM 1056 N GLN A 73 -2.355 -11.541 -10.347 1.00 0.00 N ATOM 1057 CA GLN A 73 -1.339 -12.518 -10.721 1.00 0.00 C ATOM 1058 C GLN A 73 -0.274 -11.883 -11.610 1.00 0.00 C ATOM 1059 O GLN A 73 0.911 -12.197 -11.498 1.00 0.00 O ATOM 1060 CB GLN A 73 -1.982 -13.702 -11.444 1.00 0.00 C ATOM 1061 CG GLN A 73 -2.944 -14.496 -10.574 1.00 0.00 C ATOM 1062 CD GLN A 73 -2.239 -15.524 -9.711 1.00 0.00 C ATOM 1063 OE1 GLN A 73 -1.617 -16.456 -10.220 1.00 0.00 O ATOM 1064 NE2 GLN A 73 -2.332 -15.358 -8.397 1.00 0.00 N ATOM 0 H GLN A 73 -3.004 -11.299 -11.096 1.00 0.00 H new ATOM 0 HA GLN A 73 -0.860 -12.874 -9.809 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -2.516 -13.335 -12.321 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -1.197 -14.367 -11.804 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -3.500 -13.810 -9.934 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -3.672 -14.999 -11.210 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -2.858 -14.571 -8.018 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -1.877 -16.018 -7.766 1.00 0.00 H new ATOM 1073 N VAL A 74 -0.704 -10.987 -12.493 1.00 0.00 N ATOM 1074 CA VAL A 74 0.212 -10.307 -13.401 1.00 0.00 C ATOM 1075 C VAL A 74 1.329 -9.609 -12.633 1.00 0.00 C ATOM 1076 O VAL A 74 2.505 -9.735 -12.975 1.00 0.00 O ATOM 1077 CB VAL A 74 -0.525 -9.270 -14.269 1.00 0.00 C ATOM 1078 CG1 VAL A 74 0.440 -8.601 -15.236 1.00 0.00 C ATOM 1079 CG2 VAL A 74 -1.676 -9.925 -15.018 1.00 0.00 C ATOM 0 H VAL A 74 -1.681 -10.715 -12.599 1.00 0.00 H new ATOM 0 HA VAL A 74 0.642 -11.071 -14.048 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.938 -8.501 -13.616 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.098 -7.872 -15.841 1.00 0.00 H new ATOM 0 HG12 VAL A 74 1.227 -8.097 -14.675 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.884 -9.355 -15.886 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.186 -9.178 -15.626 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.289 -10.715 -15.662 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.379 -10.352 -14.303 1.00 0.00 H new ATOM 1089 N LEU A 75 0.954 -8.873 -11.592 1.00 0.00 N ATOM 1090 CA LEU A 75 1.924 -8.155 -10.774 1.00 0.00 C ATOM 1091 C LEU A 75 2.669 -9.110 -9.847 1.00 0.00 C ATOM 1092 O LEU A 75 3.897 -9.184 -9.872 1.00 0.00 O ATOM 1093 CB LEU A 75 1.224 -7.071 -9.952 1.00 0.00 C ATOM 1094 CG LEU A 75 0.293 -6.138 -10.727 1.00 0.00 C ATOM 1095 CD1 LEU A 75 -0.506 -5.266 -9.770 1.00 0.00 C ATOM 1096 CD2 LEU A 75 1.087 -5.277 -11.699 1.00 0.00 C ATOM 0 H LEU A 75 -0.015 -8.758 -11.295 1.00 0.00 H new ATOM 0 HA LEU A 75 2.648 -7.687 -11.441 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.647 -7.556 -9.165 1.00 0.00 H new ATOM 0 HB3 LEU A 75 1.986 -6.466 -9.462 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.405 -6.748 -11.300 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.163 -4.608 -10.339 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.105 -5.899 -9.115 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.177 -4.665 -9.169 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.408 -4.620 -12.241 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.809 -4.676 -11.146 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.614 -5.918 -12.406 1.00 0.00 H new ATOM 1108 N ALA A 76 1.916 -9.842 -9.032 1.00 0.00 N ATOM 1109 CA ALA A 76 2.505 -10.797 -8.101 1.00 0.00 C ATOM 1110 C ALA A 76 3.538 -11.677 -8.796 1.00 0.00 C ATOM 1111 O ALA A 76 4.626 -11.907 -8.270 1.00 0.00 O ATOM 1112 CB ALA A 76 1.419 -11.653 -7.467 1.00 0.00 C ATOM 0 H ALA A 76 0.898 -9.792 -8.998 1.00 0.00 H new ATOM 0 HA ALA A 76 3.014 -10.236 -7.317 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.873 -12.362 -6.774 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.721 -11.014 -6.927 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.885 -12.198 -8.245 1.00 0.00 H new ATOM 1118 N SER A 77 3.189 -12.168 -9.981 1.00 0.00 N ATOM 1119 CA SER A 77 4.084 -13.027 -10.746 1.00 0.00 C ATOM 1120 C SER A 77 5.240 -12.222 -11.332 1.00 0.00 C ATOM 1121 O SER A 77 6.323 -12.757 -11.575 1.00 0.00 O ATOM 1122 CB SER A 77 3.316 -13.729 -11.868 1.00 0.00 C ATOM 1123 OG SER A 77 4.101 -14.748 -12.464 1.00 0.00 O ATOM 0 H SER A 77 2.292 -11.985 -10.432 1.00 0.00 H new ATOM 0 HA SER A 77 4.493 -13.778 -10.070 1.00 0.00 H new ATOM 0 HB2 SER A 77 2.397 -14.160 -11.470 1.00 0.00 H new ATOM 0 HB3 SER A 77 3.025 -13.000 -12.625 1.00 0.00 H new ATOM 0 HG SER A 77 3.587 -15.182 -13.177 1.00 0.00 H new ATOM 1129 N ARG A 78 5.003 -10.934 -11.556 1.00 0.00 N ATOM 1130 CA ARG A 78 6.023 -10.055 -12.114 1.00 0.00 C ATOM 1131 C ARG A 78 7.171 -9.859 -11.128 1.00 0.00 C ATOM 1132 O ARG A 78 8.342 -9.902 -11.505 1.00 0.00 O ATOM 1133 CB ARG A 78 5.414 -8.700 -12.481 1.00 0.00 C ATOM 1134 CG ARG A 78 6.397 -7.751 -13.147 1.00 0.00 C ATOM 1135 CD ARG A 78 5.783 -6.377 -13.366 1.00 0.00 C ATOM 1136 NE ARG A 78 6.562 -5.573 -14.303 1.00 0.00 N ATOM 1137 CZ ARG A 78 6.125 -4.438 -14.838 1.00 0.00 C ATOM 1138 NH1 ARG A 78 4.921 -3.977 -14.530 1.00 0.00 N ATOM 1139 NH2 ARG A 78 6.893 -3.762 -15.683 1.00 0.00 N ATOM 0 H ARG A 78 4.113 -10.476 -11.360 1.00 0.00 H new ATOM 0 HA ARG A 78 6.418 -10.524 -13.015 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.568 -8.860 -13.149 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.023 -8.230 -11.578 1.00 0.00 H new ATOM 0 HG2 ARG A 78 7.290 -7.657 -12.529 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.714 -8.166 -14.104 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.767 -6.490 -13.743 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.713 -5.855 -12.412 1.00 0.00 H new ATOM 0 HE ARG A 78 7.493 -5.901 -14.561 1.00 0.00 H new ATOM 0 HH11 ARG A 78 4.328 -4.494 -13.881 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.588 -3.105 -14.942 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.820 -4.114 -15.923 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.556 -2.891 -16.093 1.00 0.00 H new ATOM 1153 N TYR A 79 6.826 -9.642 -9.863 1.00 0.00 N ATOM 1154 CA TYR A 79 7.827 -9.436 -8.823 1.00 0.00 C ATOM 1155 C TYR A 79 8.020 -10.703 -7.995 1.00 0.00 C ATOM 1156 O TYR A 79 9.001 -10.837 -7.265 1.00 0.00 O ATOM 1157 CB TYR A 79 7.416 -8.276 -7.914 1.00 0.00 C ATOM 1158 CG TYR A 79 6.989 -7.038 -8.668 1.00 0.00 C ATOM 1159 CD1 TYR A 79 7.931 -6.172 -9.211 1.00 0.00 C ATOM 1160 CD2 TYR A 79 5.644 -6.733 -8.838 1.00 0.00 C ATOM 1161 CE1 TYR A 79 7.545 -5.038 -9.900 1.00 0.00 C ATOM 1162 CE2 TYR A 79 5.250 -5.603 -9.527 1.00 0.00 C ATOM 1163 CZ TYR A 79 6.204 -4.758 -10.056 1.00 0.00 C ATOM 1164 OH TYR A 79 5.815 -3.631 -10.742 1.00 0.00 O ATOM 0 H TYR A 79 5.861 -9.604 -9.534 1.00 0.00 H new ATOM 0 HA TYR A 79 8.773 -9.192 -9.307 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.597 -8.601 -7.272 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.252 -8.023 -7.261 1.00 0.00 H new ATOM 0 HD1 TYR A 79 8.982 -6.389 -9.092 1.00 0.00 H new ATOM 0 HD2 TYR A 79 4.894 -7.391 -8.424 1.00 0.00 H new ATOM 0 HE1 TYR A 79 8.290 -4.375 -10.314 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.200 -5.382 -9.651 1.00 0.00 H new ATOM 0 HH TYR A 79 5.768 -2.872 -10.124 1.00 0.00 H new ATOM 1174 N GLY A 80 7.075 -11.630 -8.114 1.00 0.00 N ATOM 1175 CA GLY A 80 7.158 -12.874 -7.372 1.00 0.00 C ATOM 1176 C GLY A 80 6.735 -12.716 -5.925 1.00 0.00 C ATOM 1177 O GLY A 80 7.478 -13.074 -5.011 1.00 0.00 O ATOM 0 H GLY A 80 6.253 -11.542 -8.711 1.00 0.00 H new ATOM 0 HA2 GLY A 80 6.527 -13.622 -7.852 1.00 0.00 H new ATOM 0 HA3 GLY A 80 8.181 -13.248 -7.409 1.00 0.00 H new ATOM 1181 N ILE A 81 5.538 -12.177 -5.716 1.00 0.00 N ATOM 1182 CA ILE A 81 5.018 -11.972 -4.370 1.00 0.00 C ATOM 1183 C ILE A 81 4.340 -13.233 -3.844 1.00 0.00 C ATOM 1184 O ILE A 81 3.211 -13.546 -4.223 1.00 0.00 O ATOM 1185 CB ILE A 81 4.013 -10.806 -4.327 1.00 0.00 C ATOM 1186 CG1 ILE A 81 4.614 -9.561 -4.982 1.00 0.00 C ATOM 1187 CG2 ILE A 81 3.605 -10.511 -2.891 1.00 0.00 C ATOM 1188 CD1 ILE A 81 5.768 -8.967 -4.205 1.00 0.00 C ATOM 0 H ILE A 81 4.911 -11.875 -6.461 1.00 0.00 H new ATOM 0 HA ILE A 81 5.871 -11.730 -3.736 1.00 0.00 H new ATOM 0 HB ILE A 81 3.122 -11.093 -4.886 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.955 -9.817 -5.985 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.835 -8.807 -5.093 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.894 -9.685 -2.877 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.141 -11.396 -2.456 1.00 0.00 H new ATOM 0 HG23 ILE A 81 4.487 -10.241 -2.310 1.00 0.00 H new ATOM 0 HD11 ILE A 81 6.144 -8.088 -4.728 1.00 0.00 H new ATOM 0 HD12 ILE A 81 5.427 -8.679 -3.210 1.00 0.00 H new ATOM 0 HD13 ILE A 81 6.565 -9.705 -4.116 1.00 0.00 H new ATOM 1200 N ARG A 82 5.035 -13.951 -2.969 1.00 0.00 N ATOM 1201 CA ARG A 82 4.500 -15.177 -2.390 1.00 0.00 C ATOM 1202 C ARG A 82 4.469 -15.091 -0.867 1.00 0.00 C ATOM 1203 O ARG A 82 3.700 -15.793 -0.211 1.00 0.00 O ATOM 1204 CB ARG A 82 5.338 -16.380 -2.826 1.00 0.00 C ATOM 1205 CG ARG A 82 6.698 -16.453 -2.150 1.00 0.00 C ATOM 1206 CD ARG A 82 7.757 -15.709 -2.948 1.00 0.00 C ATOM 1207 NE ARG A 82 8.237 -16.492 -4.083 1.00 0.00 N ATOM 1208 CZ ARG A 82 9.297 -16.157 -4.811 1.00 0.00 C ATOM 1209 NH1 ARG A 82 9.984 -15.060 -4.523 1.00 0.00 N ATOM 1210 NH2 ARG A 82 9.672 -16.921 -5.830 1.00 0.00 N ATOM 0 H ARG A 82 5.970 -13.705 -2.645 1.00 0.00 H new ATOM 0 HA ARG A 82 3.479 -15.304 -2.750 1.00 0.00 H new ATOM 0 HB2 ARG A 82 4.785 -17.294 -2.610 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.480 -16.341 -3.906 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.631 -16.029 -1.148 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.993 -17.496 -2.035 1.00 0.00 H new ATOM 0 HD2 ARG A 82 7.345 -14.766 -3.307 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.596 -15.463 -2.297 1.00 0.00 H new ATOM 0 HE ARG A 82 7.731 -17.342 -4.331 1.00 0.00 H new ATOM 0 HH11 ARG A 82 9.699 -14.471 -3.741 1.00 0.00 H new ATOM 0 HH12 ARG A 82 10.797 -14.806 -5.084 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.146 -17.766 -6.055 1.00 0.00 H new ATOM 0 HH22 ARG A 82 10.486 -16.663 -6.388 1.00 0.00 H new ATOM 1224 N GLY A 83 5.311 -14.226 -0.310 1.00 0.00 N ATOM 1225 CA GLY A 83 5.365 -14.064 1.131 1.00 0.00 C ATOM 1226 C GLY A 83 4.769 -12.748 1.589 1.00 0.00 C ATOM 1227 O GLY A 83 5.402 -11.698 1.475 1.00 0.00 O ATOM 0 H GLY A 83 5.957 -13.634 -0.832 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.830 -14.886 1.606 1.00 0.00 H new ATOM 0 HA3 GLY A 83 6.402 -14.124 1.462 1.00 0.00 H new ATOM 1231 N PHE A 84 3.547 -12.802 2.108 1.00 0.00 N ATOM 1232 CA PHE A 84 2.864 -11.604 2.583 1.00 0.00 C ATOM 1233 C PHE A 84 2.942 -11.500 4.103 1.00 0.00 C ATOM 1234 O PHE A 84 3.075 -12.498 4.813 1.00 0.00 O ATOM 1235 CB PHE A 84 1.400 -11.615 2.136 1.00 0.00 C ATOM 1236 CG PHE A 84 1.172 -12.357 0.850 1.00 0.00 C ATOM 1237 CD1 PHE A 84 2.010 -12.164 -0.236 1.00 0.00 C ATOM 1238 CD2 PHE A 84 0.119 -13.249 0.728 1.00 0.00 C ATOM 1239 CE1 PHE A 84 1.801 -12.845 -1.420 1.00 0.00 C ATOM 1240 CE2 PHE A 84 -0.095 -13.934 -0.453 1.00 0.00 C ATOM 1241 CZ PHE A 84 0.748 -13.732 -1.528 1.00 0.00 C ATOM 0 H PHE A 84 3.009 -13.663 2.210 1.00 0.00 H new ATOM 0 HA PHE A 84 3.363 -10.736 2.151 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.792 -12.067 2.920 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.056 -10.587 2.019 1.00 0.00 H new ATOM 0 HD1 PHE A 84 2.836 -11.473 -0.156 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.543 -13.411 1.566 1.00 0.00 H new ATOM 0 HE1 PHE A 84 2.460 -12.684 -2.260 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -0.920 -14.626 -0.535 1.00 0.00 H new ATOM 0 HZ PHE A 84 0.584 -14.267 -2.452 1.00 0.00 H new ATOM 1251 N PRO A 85 2.859 -10.264 4.616 1.00 0.00 N ATOM 1252 CA PRO A 85 2.701 -9.069 3.781 1.00 0.00 C ATOM 1253 C PRO A 85 3.957 -8.756 2.975 1.00 0.00 C ATOM 1254 O PRO A 85 5.030 -9.299 3.240 1.00 0.00 O ATOM 1255 CB PRO A 85 2.428 -7.959 4.798 1.00 0.00 C ATOM 1256 CG PRO A 85 3.055 -8.440 6.061 1.00 0.00 C ATOM 1257 CD PRO A 85 2.912 -9.937 6.051 1.00 0.00 C ATOM 0 HA PRO A 85 1.911 -9.191 3.040 1.00 0.00 H new ATOM 0 HB2 PRO A 85 2.862 -7.012 4.476 1.00 0.00 H new ATOM 0 HB3 PRO A 85 1.358 -7.793 4.925 1.00 0.00 H new ATOM 0 HG2 PRO A 85 4.104 -8.149 6.111 1.00 0.00 H new ATOM 0 HG3 PRO A 85 2.562 -8.007 6.931 1.00 0.00 H new ATOM 0 HD2 PRO A 85 3.753 -10.425 6.544 1.00 0.00 H new ATOM 0 HD3 PRO A 85 2.009 -10.258 6.570 1.00 0.00 H new ATOM 1265 N THR A 86 3.817 -7.876 1.988 1.00 0.00 N ATOM 1266 CA THR A 86 4.940 -7.491 1.143 1.00 0.00 C ATOM 1267 C THR A 86 4.888 -6.006 0.803 1.00 0.00 C ATOM 1268 O THR A 86 4.060 -5.571 0.001 1.00 0.00 O ATOM 1269 CB THR A 86 4.964 -8.305 -0.165 1.00 0.00 C ATOM 1270 OG1 THR A 86 4.928 -9.705 0.129 1.00 0.00 O ATOM 1271 CG2 THR A 86 6.208 -7.984 -0.979 1.00 0.00 C ATOM 0 H THR A 86 2.937 -7.417 1.755 1.00 0.00 H new ATOM 0 HA THR A 86 5.848 -7.700 1.709 1.00 0.00 H new ATOM 0 HB THR A 86 4.086 -8.035 -0.752 1.00 0.00 H new ATOM 0 HG1 THR A 86 5.372 -9.871 0.987 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.203 -8.571 -1.898 1.00 0.00 H new ATOM 0 HG22 THR A 86 6.217 -6.922 -1.226 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.097 -8.229 -0.397 1.00 0.00 H new ATOM 1279 N ILE A 87 5.777 -5.232 1.416 1.00 0.00 N ATOM 1280 CA ILE A 87 5.833 -3.795 1.176 1.00 0.00 C ATOM 1281 C ILE A 87 6.916 -3.449 0.160 1.00 0.00 C ATOM 1282 O ILE A 87 8.107 -3.613 0.425 1.00 0.00 O ATOM 1283 CB ILE A 87 6.099 -3.017 2.478 1.00 0.00 C ATOM 1284 CG1 ILE A 87 5.037 -3.355 3.526 1.00 0.00 C ATOM 1285 CG2 ILE A 87 6.122 -1.520 2.205 1.00 0.00 C ATOM 1286 CD1 ILE A 87 5.495 -3.121 4.949 1.00 0.00 C ATOM 0 H ILE A 87 6.468 -5.576 2.083 1.00 0.00 H new ATOM 0 HA ILE A 87 4.860 -3.503 0.780 1.00 0.00 H new ATOM 0 HB ILE A 87 7.074 -3.312 2.867 1.00 0.00 H new ATOM 0 HG12 ILE A 87 4.147 -2.755 3.336 1.00 0.00 H new ATOM 0 HG13 ILE A 87 4.747 -4.400 3.414 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.311 -0.983 3.135 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.911 -1.293 1.488 1.00 0.00 H new ATOM 0 HG23 ILE A 87 5.160 -1.210 1.796 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.691 -3.382 5.637 1.00 0.00 H new ATOM 0 HD12 ILE A 87 6.367 -3.741 5.157 1.00 0.00 H new ATOM 0 HD13 ILE A 87 5.758 -2.071 5.079 1.00 0.00 H new ATOM 1298 N LYS A 88 6.495 -2.968 -1.005 1.00 0.00 N ATOM 1299 CA LYS A 88 7.428 -2.595 -2.061 1.00 0.00 C ATOM 1300 C LYS A 88 7.218 -1.145 -2.486 1.00 0.00 C ATOM 1301 O LYS A 88 6.088 -0.658 -2.525 1.00 0.00 O ATOM 1302 CB LYS A 88 7.260 -3.520 -3.268 1.00 0.00 C ATOM 1303 CG LYS A 88 7.586 -4.974 -2.970 1.00 0.00 C ATOM 1304 CD LYS A 88 9.057 -5.274 -3.201 1.00 0.00 C ATOM 1305 CE LYS A 88 9.291 -6.758 -3.443 1.00 0.00 C ATOM 1306 NZ LYS A 88 10.702 -7.149 -3.167 1.00 0.00 N ATOM 0 H LYS A 88 5.513 -2.827 -1.242 1.00 0.00 H new ATOM 0 HA LYS A 88 8.440 -2.698 -1.670 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.233 -3.453 -3.627 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.903 -3.170 -4.076 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.325 -5.202 -1.936 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.978 -5.621 -3.602 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.416 -4.703 -4.058 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.636 -4.949 -2.336 1.00 0.00 H new ATOM 0 HE2 LYS A 88 8.622 -7.339 -2.808 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.042 -7.001 -4.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.821 -8.167 -3.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 11.339 -6.613 -3.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.932 -6.940 -2.174 1.00 0.00 H new ATOM 1320 N ILE A 89 8.312 -0.461 -2.804 1.00 0.00 N ATOM 1321 CA ILE A 89 8.246 0.931 -3.228 1.00 0.00 C ATOM 1322 C ILE A 89 8.485 1.061 -4.729 1.00 0.00 C ATOM 1323 O ILE A 89 9.289 0.329 -5.306 1.00 0.00 O ATOM 1324 CB ILE A 89 9.276 1.798 -2.479 1.00 0.00 C ATOM 1325 CG1 ILE A 89 8.911 1.895 -0.996 1.00 0.00 C ATOM 1326 CG2 ILE A 89 9.356 3.183 -3.103 1.00 0.00 C ATOM 1327 CD1 ILE A 89 9.375 0.709 -0.181 1.00 0.00 C ATOM 0 H ILE A 89 9.255 -0.849 -2.776 1.00 0.00 H new ATOM 0 HA ILE A 89 7.243 1.285 -2.990 1.00 0.00 H new ATOM 0 HB ILE A 89 10.255 1.327 -2.562 1.00 0.00 H new ATOM 0 HG12 ILE A 89 9.348 2.804 -0.581 1.00 0.00 H new ATOM 0 HG13 ILE A 89 7.829 1.989 -0.902 1.00 0.00 H new ATOM 0 HG21 ILE A 89 10.088 3.784 -2.563 1.00 0.00 H new ATOM 0 HG22 ILE A 89 9.658 3.095 -4.147 1.00 0.00 H new ATOM 0 HG23 ILE A 89 8.380 3.664 -3.047 1.00 0.00 H new ATOM 0 HD11 ILE A 89 9.082 0.846 0.860 1.00 0.00 H new ATOM 0 HD12 ILE A 89 8.918 -0.201 -0.570 1.00 0.00 H new ATOM 0 HD13 ILE A 89 10.460 0.626 -0.245 1.00 0.00 H new ATOM 1339 N PHE A 90 7.783 1.999 -5.355 1.00 0.00 N ATOM 1340 CA PHE A 90 7.919 2.226 -6.790 1.00 0.00 C ATOM 1341 C PHE A 90 8.058 3.715 -7.094 1.00 0.00 C ATOM 1342 O PHE A 90 7.281 4.533 -6.603 1.00 0.00 O ATOM 1343 CB PHE A 90 6.712 1.652 -7.535 1.00 0.00 C ATOM 1344 CG PHE A 90 6.465 0.199 -7.246 1.00 0.00 C ATOM 1345 CD1 PHE A 90 5.896 -0.196 -6.046 1.00 0.00 C ATOM 1346 CD2 PHE A 90 6.801 -0.773 -8.175 1.00 0.00 C ATOM 1347 CE1 PHE A 90 5.667 -1.532 -5.777 1.00 0.00 C ATOM 1348 CE2 PHE A 90 6.574 -2.110 -7.912 1.00 0.00 C ATOM 1349 CZ PHE A 90 6.007 -2.491 -6.712 1.00 0.00 C ATOM 0 H PHE A 90 7.114 2.614 -4.892 1.00 0.00 H new ATOM 0 HA PHE A 90 8.822 1.718 -7.129 1.00 0.00 H new ATOM 0 HB2 PHE A 90 5.824 2.224 -7.266 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.862 1.781 -8.607 1.00 0.00 H new ATOM 0 HD1 PHE A 90 5.628 0.549 -5.312 1.00 0.00 H new ATOM 0 HD2 PHE A 90 7.245 -0.482 -9.115 1.00 0.00 H new ATOM 0 HE1 PHE A 90 5.223 -1.826 -4.837 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.840 -2.857 -8.645 1.00 0.00 H new ATOM 0 HZ PHE A 90 5.830 -3.536 -6.505 1.00 0.00 H new ATOM 1359 N GLN A 91 9.053 4.056 -7.906 1.00 0.00 N ATOM 1360 CA GLN A 91 9.295 5.446 -8.274 1.00 0.00 C ATOM 1361 C GLN A 91 9.267 5.620 -9.789 1.00 0.00 C ATOM 1362 O GLN A 91 9.385 4.650 -10.539 1.00 0.00 O ATOM 1363 CB GLN A 91 10.641 5.916 -7.719 1.00 0.00 C ATOM 1364 CG GLN A 91 10.698 5.939 -6.200 1.00 0.00 C ATOM 1365 CD GLN A 91 12.016 6.470 -5.674 1.00 0.00 C ATOM 1366 OE1 GLN A 91 12.754 7.150 -6.388 1.00 0.00 O ATOM 1367 NE2 GLN A 91 12.320 6.163 -4.418 1.00 0.00 N ATOM 0 H GLN A 91 9.704 3.390 -8.321 1.00 0.00 H new ATOM 0 HA GLN A 91 8.500 6.054 -7.842 1.00 0.00 H new ATOM 0 HB2 GLN A 91 11.428 5.261 -8.094 1.00 0.00 H new ATOM 0 HB3 GLN A 91 10.851 6.916 -8.097 1.00 0.00 H new ATOM 0 HG2 GLN A 91 9.884 6.556 -5.819 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.539 4.930 -5.819 1.00 0.00 H new ATOM 0 HE21 GLN A 91 11.679 5.597 -3.862 1.00 0.00 H new ATOM 0 HE22 GLN A 91 13.194 6.493 -4.009 1.00 0.00 H new ATOM 1376 N LYS A 92 9.111 6.862 -10.234 1.00 0.00 N ATOM 1377 CA LYS A 92 9.068 7.165 -11.660 1.00 0.00 C ATOM 1378 C LYS A 92 10.475 7.209 -12.249 1.00 0.00 C ATOM 1379 O LYS A 92 11.401 7.733 -11.631 1.00 0.00 O ATOM 1380 CB LYS A 92 8.363 8.502 -11.897 1.00 0.00 C ATOM 1381 CG LYS A 92 8.329 8.921 -13.357 1.00 0.00 C ATOM 1382 CD LYS A 92 7.093 8.389 -14.062 1.00 0.00 C ATOM 1383 CE LYS A 92 7.367 7.052 -14.734 1.00 0.00 C ATOM 1384 NZ LYS A 92 8.207 7.206 -15.954 1.00 0.00 N ATOM 0 H LYS A 92 9.012 7.676 -9.627 1.00 0.00 H new ATOM 0 HA LYS A 92 8.509 6.373 -12.158 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.341 8.436 -11.523 1.00 0.00 H new ATOM 0 HB3 LYS A 92 8.866 9.276 -11.317 1.00 0.00 H new ATOM 0 HG2 LYS A 92 8.347 10.009 -13.425 1.00 0.00 H new ATOM 0 HG3 LYS A 92 9.223 8.555 -13.862 1.00 0.00 H new ATOM 0 HD2 LYS A 92 6.282 8.276 -13.342 1.00 0.00 H new ATOM 0 HD3 LYS A 92 6.759 9.111 -14.808 1.00 0.00 H new ATOM 0 HE2 LYS A 92 7.868 6.388 -14.030 1.00 0.00 H new ATOM 0 HE3 LYS A 92 6.422 6.579 -15.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 8.149 6.340 -16.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 7.864 8.014 -16.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 9.195 7.372 -15.676 1.00 0.00 H new ATOM 1398 N GLY A 93 10.627 6.655 -13.448 1.00 0.00 N ATOM 1399 CA GLY A 93 11.923 6.643 -14.101 1.00 0.00 C ATOM 1400 C GLY A 93 12.969 5.895 -13.298 1.00 0.00 C ATOM 1401 O GLY A 93 14.166 6.032 -13.548 1.00 0.00 O ATOM 0 H GLY A 93 9.876 6.214 -13.979 1.00 0.00 H new ATOM 0 HA2 GLY A 93 11.827 6.183 -15.085 1.00 0.00 H new ATOM 0 HA3 GLY A 93 12.256 7.669 -14.260 1.00 0.00 H new ATOM 1405 N GLU A 94 12.517 5.104 -12.330 1.00 0.00 N ATOM 1406 CA GLU A 94 13.424 4.334 -11.487 1.00 0.00 C ATOM 1407 C GLU A 94 12.903 2.914 -11.284 1.00 0.00 C ATOM 1408 O GLU A 94 11.816 2.568 -11.745 1.00 0.00 O ATOM 1409 CB GLU A 94 13.604 5.022 -10.133 1.00 0.00 C ATOM 1410 CG GLU A 94 14.275 6.382 -10.225 1.00 0.00 C ATOM 1411 CD GLU A 94 15.788 6.285 -10.251 1.00 0.00 C ATOM 1412 OE1 GLU A 94 16.335 5.376 -9.591 1.00 0.00 O ATOM 1413 OE2 GLU A 94 16.425 7.117 -10.930 1.00 0.00 O ATOM 0 H GLU A 94 11.529 4.980 -12.110 1.00 0.00 H new ATOM 0 HA GLU A 94 14.390 4.280 -11.990 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.628 5.139 -9.662 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.196 4.377 -9.483 1.00 0.00 H new ATOM 0 HG2 GLU A 94 13.932 6.892 -11.125 1.00 0.00 H new ATOM 0 HG3 GLU A 94 13.968 6.993 -9.376 1.00 0.00 H new ATOM 1420 N SER A 95 13.688 2.096 -10.590 1.00 0.00 N ATOM 1421 CA SER A 95 13.310 0.713 -10.328 1.00 0.00 C ATOM 1422 C SER A 95 12.757 0.559 -8.915 1.00 0.00 C ATOM 1423 O SER A 95 13.127 1.286 -7.993 1.00 0.00 O ATOM 1424 CB SER A 95 14.514 -0.212 -10.520 1.00 0.00 C ATOM 1425 OG SER A 95 14.670 -0.569 -11.883 1.00 0.00 O ATOM 0 H SER A 95 14.590 2.368 -10.199 1.00 0.00 H new ATOM 0 HA SER A 95 12.530 0.435 -11.037 1.00 0.00 H new ATOM 0 HB2 SER A 95 15.418 0.283 -10.165 1.00 0.00 H new ATOM 0 HB3 SER A 95 14.386 -1.111 -9.918 1.00 0.00 H new ATOM 0 HG SER A 95 15.447 -1.159 -11.980 1.00 0.00 H new ATOM 1431 N PRO A 96 11.847 -0.412 -8.739 1.00 0.00 N ATOM 1432 CA PRO A 96 11.222 -0.685 -7.442 1.00 0.00 C ATOM 1433 C PRO A 96 12.203 -1.289 -6.442 1.00 0.00 C ATOM 1434 O PRO A 96 13.100 -2.045 -6.816 1.00 0.00 O ATOM 1435 CB PRO A 96 10.121 -1.691 -7.784 1.00 0.00 C ATOM 1436 CG PRO A 96 10.591 -2.359 -9.030 1.00 0.00 C ATOM 1437 CD PRO A 96 11.359 -1.316 -9.794 1.00 0.00 C ATOM 0 HA PRO A 96 10.855 0.225 -6.967 1.00 0.00 H new ATOM 0 HB2 PRO A 96 9.979 -2.411 -6.978 1.00 0.00 H new ATOM 0 HB3 PRO A 96 9.164 -1.193 -7.939 1.00 0.00 H new ATOM 0 HG2 PRO A 96 11.222 -3.217 -8.799 1.00 0.00 H new ATOM 0 HG3 PRO A 96 9.750 -2.731 -9.615 1.00 0.00 H new ATOM 0 HD2 PRO A 96 12.181 -1.756 -10.359 1.00 0.00 H new ATOM 0 HD3 PRO A 96 10.724 -0.793 -10.510 1.00 0.00 H new ATOM 1445 N VAL A 97 12.027 -0.950 -5.169 1.00 0.00 N ATOM 1446 CA VAL A 97 12.896 -1.460 -4.114 1.00 0.00 C ATOM 1447 C VAL A 97 12.102 -2.257 -3.086 1.00 0.00 C ATOM 1448 O VAL A 97 10.872 -2.203 -3.057 1.00 0.00 O ATOM 1449 CB VAL A 97 13.640 -0.317 -3.399 1.00 0.00 C ATOM 1450 CG1 VAL A 97 14.784 0.197 -4.259 1.00 0.00 C ATOM 1451 CG2 VAL A 97 12.677 0.808 -3.049 1.00 0.00 C ATOM 0 H VAL A 97 11.291 -0.324 -4.843 1.00 0.00 H new ATOM 0 HA VAL A 97 13.625 -2.114 -4.592 1.00 0.00 H new ATOM 0 HB VAL A 97 14.062 -0.705 -2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 97 15.298 1.004 -3.737 1.00 0.00 H new ATOM 0 HG12 VAL A 97 15.486 -0.614 -4.453 1.00 0.00 H new ATOM 0 HG13 VAL A 97 14.390 0.570 -5.204 1.00 0.00 H new ATOM 0 HG21 VAL A 97 13.219 1.607 -2.544 1.00 0.00 H new ATOM 0 HG22 VAL A 97 12.224 1.196 -3.961 1.00 0.00 H new ATOM 0 HG23 VAL A 97 11.896 0.427 -2.390 1.00 0.00 H new ATOM 1461 N ASP A 98 12.813 -2.998 -2.243 1.00 0.00 N ATOM 1462 CA ASP A 98 12.175 -3.806 -1.210 1.00 0.00 C ATOM 1463 C ASP A 98 12.191 -3.083 0.133 1.00 0.00 C ATOM 1464 O ASP A 98 13.255 -2.804 0.686 1.00 0.00 O ATOM 1465 CB ASP A 98 12.878 -5.158 -1.084 1.00 0.00 C ATOM 1466 CG ASP A 98 14.212 -5.053 -0.371 1.00 0.00 C ATOM 1467 OD1 ASP A 98 15.089 -4.312 -0.861 1.00 0.00 O ATOM 1468 OD2 ASP A 98 14.379 -5.713 0.676 1.00 0.00 O ATOM 0 H ASP A 98 13.831 -3.056 -2.255 1.00 0.00 H new ATOM 0 HA ASP A 98 11.137 -3.970 -1.501 1.00 0.00 H new ATOM 0 HB2 ASP A 98 12.233 -5.850 -0.542 1.00 0.00 H new ATOM 0 HB3 ASP A 98 13.033 -5.578 -2.078 1.00 0.00 H new ATOM 1473 N TYR A 99 11.006 -2.784 0.652 1.00 0.00 N ATOM 1474 CA TYR A 99 10.883 -2.090 1.929 1.00 0.00 C ATOM 1475 C TYR A 99 11.668 -2.814 3.019 1.00 0.00 C ATOM 1476 O TYR A 99 12.016 -3.986 2.875 1.00 0.00 O ATOM 1477 CB TYR A 99 9.413 -1.978 2.333 1.00 0.00 C ATOM 1478 CG TYR A 99 9.205 -1.360 3.698 1.00 0.00 C ATOM 1479 CD1 TYR A 99 9.457 -0.012 3.917 1.00 0.00 C ATOM 1480 CD2 TYR A 99 8.759 -2.126 4.768 1.00 0.00 C ATOM 1481 CE1 TYR A 99 9.270 0.557 5.162 1.00 0.00 C ATOM 1482 CE2 TYR A 99 8.567 -1.566 6.016 1.00 0.00 C ATOM 1483 CZ TYR A 99 8.824 -0.224 6.208 1.00 0.00 C ATOM 1484 OH TYR A 99 8.636 0.337 7.451 1.00 0.00 O ATOM 0 H TYR A 99 10.116 -3.011 0.208 1.00 0.00 H new ATOM 0 HA TYR A 99 11.297 -1.089 1.811 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.885 -1.381 1.589 1.00 0.00 H new ATOM 0 HB3 TYR A 99 8.965 -2.972 2.321 1.00 0.00 H new ATOM 0 HD1 TYR A 99 9.805 0.602 3.100 1.00 0.00 H new ATOM 0 HD2 TYR A 99 8.559 -3.177 4.621 1.00 0.00 H new ATOM 0 HE1 TYR A 99 9.472 1.607 5.315 1.00 0.00 H new ATOM 0 HE2 TYR A 99 8.218 -2.175 6.837 1.00 0.00 H new ATOM 0 HH TYR A 99 8.019 -0.219 7.971 1.00 0.00 H new ATOM 1494 N ASP A 100 11.943 -2.106 4.109 1.00 0.00 N ATOM 1495 CA ASP A 100 12.685 -2.680 5.226 1.00 0.00 C ATOM 1496 C ASP A 100 11.985 -3.926 5.760 1.00 0.00 C ATOM 1497 O ASP A 100 12.526 -5.029 5.696 1.00 0.00 O ATOM 1498 CB ASP A 100 12.842 -1.649 6.345 1.00 0.00 C ATOM 1499 CG ASP A 100 13.498 -2.232 7.581 1.00 0.00 C ATOM 1500 OD1 ASP A 100 14.435 -3.043 7.429 1.00 0.00 O ATOM 1501 OD2 ASP A 100 13.075 -1.876 8.701 1.00 0.00 O ATOM 0 H ASP A 100 11.664 -1.134 4.243 1.00 0.00 H new ATOM 0 HA ASP A 100 13.673 -2.967 4.865 1.00 0.00 H new ATOM 0 HB2 ASP A 100 13.437 -0.811 5.982 1.00 0.00 H new ATOM 0 HB3 ASP A 100 11.862 -1.253 6.610 1.00 0.00 H new ATOM 1506 N GLY A 101 10.779 -3.741 6.289 1.00 0.00 N ATOM 1507 CA GLY A 101 10.026 -4.858 6.828 1.00 0.00 C ATOM 1508 C GLY A 101 9.175 -4.463 8.018 1.00 0.00 C ATOM 1509 O GLY A 101 8.381 -5.261 8.515 1.00 0.00 O ATOM 0 H GLY A 101 10.310 -2.837 6.354 1.00 0.00 H new ATOM 0 HA2 GLY A 101 9.386 -5.271 6.048 1.00 0.00 H new ATOM 0 HA3 GLY A 101 10.716 -5.648 7.125 1.00 0.00 H new ATOM 1513 N GLY A 102 9.341 -3.227 8.479 1.00 0.00 N ATOM 1514 CA GLY A 102 8.575 -2.750 9.616 1.00 0.00 C ATOM 1515 C GLY A 102 7.080 -2.816 9.377 1.00 0.00 C ATOM 1516 O GLY A 102 6.503 -1.920 8.761 1.00 0.00 O ATOM 0 H GLY A 102 9.992 -2.548 8.086 1.00 0.00 H new ATOM 0 HA2 GLY A 102 8.826 -3.345 10.494 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.860 -1.721 9.836 1.00 0.00 H new ATOM 1520 N ARG A 103 6.451 -3.881 9.863 1.00 0.00 N ATOM 1521 CA ARG A 103 5.014 -4.062 9.697 1.00 0.00 C ATOM 1522 C ARG A 103 4.239 -3.200 10.688 1.00 0.00 C ATOM 1523 O ARG A 103 3.329 -3.679 11.366 1.00 0.00 O ATOM 1524 CB ARG A 103 4.639 -5.534 9.882 1.00 0.00 C ATOM 1525 CG ARG A 103 3.200 -5.847 9.509 1.00 0.00 C ATOM 1526 CD ARG A 103 2.949 -7.347 9.468 1.00 0.00 C ATOM 1527 NE ARG A 103 2.693 -7.896 10.796 1.00 0.00 N ATOM 1528 CZ ARG A 103 3.653 -8.261 11.638 1.00 0.00 C ATOM 1529 NH1 ARG A 103 4.926 -8.136 11.291 1.00 0.00 N ATOM 1530 NH2 ARG A 103 3.340 -8.752 12.830 1.00 0.00 N ATOM 0 H ARG A 103 6.914 -4.632 10.375 1.00 0.00 H new ATOM 0 HA ARG A 103 4.748 -3.751 8.687 1.00 0.00 H new ATOM 0 HB2 ARG A 103 5.304 -6.149 9.276 1.00 0.00 H new ATOM 0 HB3 ARG A 103 4.805 -5.815 10.922 1.00 0.00 H new ATOM 0 HG2 ARG A 103 2.527 -5.384 10.231 1.00 0.00 H new ATOM 0 HG3 ARG A 103 2.972 -5.412 8.536 1.00 0.00 H new ATOM 0 HD2 ARG A 103 2.097 -7.554 8.820 1.00 0.00 H new ATOM 0 HD3 ARG A 103 3.813 -7.847 9.029 1.00 0.00 H new ATOM 0 HE ARG A 103 1.724 -8.005 11.094 1.00 0.00 H new ATOM 0 HH11 ARG A 103 5.170 -7.759 10.375 1.00 0.00 H new ATOM 0 HH12 ARG A 103 5.661 -8.417 11.940 1.00 0.00 H new ATOM 0 HH21 ARG A 103 2.361 -8.849 13.100 1.00 0.00 H new ATOM 0 HH22 ARG A 103 4.078 -9.032 13.476 1.00 0.00 H new ATOM 1544 N THR A 104 4.605 -1.924 10.768 1.00 0.00 N ATOM 1545 CA THR A 104 3.946 -0.995 11.677 1.00 0.00 C ATOM 1546 C THR A 104 3.921 0.415 11.099 1.00 0.00 C ATOM 1547 O THR A 104 4.951 0.941 10.676 1.00 0.00 O ATOM 1548 CB THR A 104 4.644 -0.962 13.050 1.00 0.00 C ATOM 1549 OG1 THR A 104 6.053 -0.775 12.879 1.00 0.00 O ATOM 1550 CG2 THR A 104 4.388 -2.251 13.818 1.00 0.00 C ATOM 0 H THR A 104 5.355 -1.511 10.214 1.00 0.00 H new ATOM 0 HA THR A 104 2.924 -1.350 11.806 1.00 0.00 H new ATOM 0 HB THR A 104 4.234 -0.129 13.621 1.00 0.00 H new ATOM 0 HG1 THR A 104 6.489 -0.754 13.756 1.00 0.00 H new ATOM 0 HG21 THR A 104 4.891 -2.205 14.784 1.00 0.00 H new ATOM 0 HG22 THR A 104 3.316 -2.376 13.972 1.00 0.00 H new ATOM 0 HG23 THR A 104 4.774 -3.097 13.248 1.00 0.00 H new ATOM 1558 N ARG A 105 2.739 1.022 11.084 1.00 0.00 N ATOM 1559 CA ARG A 105 2.580 2.372 10.557 1.00 0.00 C ATOM 1560 C ARG A 105 3.789 3.237 10.904 1.00 0.00 C ATOM 1561 O ARG A 105 4.221 4.066 10.103 1.00 0.00 O ATOM 1562 CB ARG A 105 1.306 3.012 11.111 1.00 0.00 C ATOM 1563 CG ARG A 105 1.478 3.610 12.498 1.00 0.00 C ATOM 1564 CD ARG A 105 0.146 3.729 13.222 1.00 0.00 C ATOM 1565 NE ARG A 105 0.303 4.262 14.573 1.00 0.00 N ATOM 1566 CZ ARG A 105 -0.697 4.375 15.439 1.00 0.00 C ATOM 1567 NH1 ARG A 105 -1.921 3.994 15.098 1.00 0.00 N ATOM 1568 NH2 ARG A 105 -0.475 4.869 16.651 1.00 0.00 N ATOM 0 H ARG A 105 1.877 0.600 11.431 1.00 0.00 H new ATOM 0 HA ARG A 105 2.502 2.305 9.472 1.00 0.00 H new ATOM 0 HB2 ARG A 105 0.975 3.793 10.427 1.00 0.00 H new ATOM 0 HB3 ARG A 105 0.517 2.261 11.144 1.00 0.00 H new ATOM 0 HG2 ARG A 105 2.157 2.988 13.082 1.00 0.00 H new ATOM 0 HG3 ARG A 105 1.938 4.595 12.416 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -0.520 4.377 12.652 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -0.328 2.749 13.272 1.00 0.00 H new ATOM 0 HE ARG A 105 1.232 4.564 14.867 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -2.096 3.613 14.168 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -2.687 4.082 15.766 1.00 0.00 H new ATOM 0 HH21 ARG A 105 0.465 5.162 16.918 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -1.244 4.955 17.315 1.00 0.00 H new ATOM 1582 N SER A 106 4.329 3.037 12.102 1.00 0.00 N ATOM 1583 CA SER A 106 5.484 3.802 12.556 1.00 0.00 C ATOM 1584 C SER A 106 6.638 3.683 11.565 1.00 0.00 C ATOM 1585 O SER A 106 7.154 4.687 11.073 1.00 0.00 O ATOM 1586 CB SER A 106 5.932 3.317 13.937 1.00 0.00 C ATOM 1587 OG SER A 106 4.964 3.628 14.924 1.00 0.00 O ATOM 0 H SER A 106 3.985 2.352 12.775 1.00 0.00 H new ATOM 0 HA SER A 106 5.191 4.850 12.623 1.00 0.00 H new ATOM 0 HB2 SER A 106 6.098 2.240 13.912 1.00 0.00 H new ATOM 0 HB3 SER A 106 6.884 3.780 14.198 1.00 0.00 H new ATOM 0 HG SER A 106 5.272 3.307 15.797 1.00 0.00 H new ATOM 1593 N ASP A 107 7.037 2.450 11.276 1.00 0.00 N ATOM 1594 CA ASP A 107 8.129 2.198 10.342 1.00 0.00 C ATOM 1595 C ASP A 107 7.706 2.521 8.912 1.00 0.00 C ATOM 1596 O ASP A 107 8.368 3.295 8.219 1.00 0.00 O ATOM 1597 CB ASP A 107 8.582 0.740 10.436 1.00 0.00 C ATOM 1598 CG ASP A 107 9.262 0.429 11.755 1.00 0.00 C ATOM 1599 OD1 ASP A 107 10.187 1.177 12.136 1.00 0.00 O ATOM 1600 OD2 ASP A 107 8.870 -0.562 12.405 1.00 0.00 O ATOM 0 H ASP A 107 6.621 1.608 11.675 1.00 0.00 H new ATOM 0 HA ASP A 107 8.962 2.847 10.611 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.719 0.086 10.312 1.00 0.00 H new ATOM 0 HB3 ASP A 107 9.267 0.522 9.617 1.00 0.00 H new ATOM 1605 N ILE A 108 6.602 1.924 8.478 1.00 0.00 N ATOM 1606 CA ILE A 108 6.092 2.149 7.131 1.00 0.00 C ATOM 1607 C ILE A 108 6.110 3.632 6.777 1.00 0.00 C ATOM 1608 O ILE A 108 6.493 4.013 5.670 1.00 0.00 O ATOM 1609 CB ILE A 108 4.657 1.612 6.975 1.00 0.00 C ATOM 1610 CG1 ILE A 108 4.626 0.100 7.208 1.00 0.00 C ATOM 1611 CG2 ILE A 108 4.111 1.952 5.596 1.00 0.00 C ATOM 1612 CD1 ILE A 108 3.264 -0.422 7.608 1.00 0.00 C ATOM 0 H ILE A 108 6.043 1.281 9.039 1.00 0.00 H new ATOM 0 HA ILE A 108 6.749 1.608 6.450 1.00 0.00 H new ATOM 0 HB ILE A 108 4.024 2.089 7.723 1.00 0.00 H new ATOM 0 HG12 ILE A 108 4.947 -0.406 6.298 1.00 0.00 H new ATOM 0 HG13 ILE A 108 5.346 -0.154 7.985 1.00 0.00 H new ATOM 0 HG21 ILE A 108 3.096 1.566 5.501 1.00 0.00 H new ATOM 0 HG22 ILE A 108 4.101 3.034 5.465 1.00 0.00 H new ATOM 0 HG23 ILE A 108 4.744 1.500 4.832 1.00 0.00 H new ATOM 0 HD11 ILE A 108 3.317 -1.501 7.756 1.00 0.00 H new ATOM 0 HD12 ILE A 108 2.949 0.057 8.535 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.543 -0.199 6.821 1.00 0.00 H new ATOM 1624 N VAL A 109 5.694 4.466 7.724 1.00 0.00 N ATOM 1625 CA VAL A 109 5.665 5.908 7.514 1.00 0.00 C ATOM 1626 C VAL A 109 7.060 6.510 7.638 1.00 0.00 C ATOM 1627 O VAL A 109 7.483 7.303 6.796 1.00 0.00 O ATOM 1628 CB VAL A 109 4.727 6.603 8.519 1.00 0.00 C ATOM 1629 CG1 VAL A 109 4.851 8.115 8.409 1.00 0.00 C ATOM 1630 CG2 VAL A 109 3.288 6.161 8.297 1.00 0.00 C ATOM 0 H VAL A 109 5.372 4.168 8.645 1.00 0.00 H new ATOM 0 HA VAL A 109 5.290 6.073 6.504 1.00 0.00 H new ATOM 0 HB VAL A 109 5.022 6.311 9.527 1.00 0.00 H new ATOM 0 HG11 VAL A 109 4.181 8.588 9.127 1.00 0.00 H new ATOM 0 HG12 VAL A 109 5.878 8.412 8.621 1.00 0.00 H new ATOM 0 HG13 VAL A 109 4.583 8.430 7.400 1.00 0.00 H new ATOM 0 HG21 VAL A 109 2.639 6.661 9.015 1.00 0.00 H new ATOM 0 HG22 VAL A 109 2.979 6.423 7.285 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.214 5.082 8.431 1.00 0.00 H new ATOM 1640 N SER A 110 7.771 6.129 8.694 1.00 0.00 N ATOM 1641 CA SER A 110 9.119 6.633 8.931 1.00 0.00 C ATOM 1642 C SER A 110 9.965 6.540 7.665 1.00 0.00 C ATOM 1643 O SER A 110 10.808 7.397 7.404 1.00 0.00 O ATOM 1644 CB SER A 110 9.787 5.851 10.064 1.00 0.00 C ATOM 1645 OG SER A 110 11.133 6.260 10.241 1.00 0.00 O ATOM 0 H SER A 110 7.436 5.473 9.399 1.00 0.00 H new ATOM 0 HA SER A 110 9.043 7.682 9.219 1.00 0.00 H new ATOM 0 HB2 SER A 110 9.233 6.002 10.990 1.00 0.00 H new ATOM 0 HB3 SER A 110 9.754 4.784 9.843 1.00 0.00 H new ATOM 0 HG SER A 110 11.537 5.747 10.971 1.00 0.00 H new ATOM 1651 N ARG A 111 9.732 5.491 6.882 1.00 0.00 N ATOM 1652 CA ARG A 111 10.473 5.283 5.643 1.00 0.00 C ATOM 1653 C ARG A 111 9.921 6.164 4.526 1.00 0.00 C ATOM 1654 O ARG A 111 10.676 6.825 3.814 1.00 0.00 O ATOM 1655 CB ARG A 111 10.409 3.813 5.227 1.00 0.00 C ATOM 1656 CG ARG A 111 11.491 3.413 4.237 1.00 0.00 C ATOM 1657 CD ARG A 111 11.200 3.952 2.845 1.00 0.00 C ATOM 1658 NE ARG A 111 11.743 3.090 1.799 1.00 0.00 N ATOM 1659 CZ ARG A 111 13.038 3.009 1.513 1.00 0.00 C ATOM 1660 NH1 ARG A 111 13.917 3.733 2.192 1.00 0.00 N ATOM 1661 NH2 ARG A 111 13.456 2.201 0.547 1.00 0.00 N ATOM 0 H ARG A 111 9.037 4.773 7.083 1.00 0.00 H new ATOM 0 HA ARG A 111 11.513 5.558 5.819 1.00 0.00 H new ATOM 0 HB2 ARG A 111 10.493 3.188 6.116 1.00 0.00 H new ATOM 0 HB3 ARG A 111 9.433 3.611 4.787 1.00 0.00 H new ATOM 0 HG2 ARG A 111 12.455 3.788 4.579 1.00 0.00 H new ATOM 0 HG3 ARG A 111 11.567 2.326 4.199 1.00 0.00 H new ATOM 0 HD2 ARG A 111 10.122 4.049 2.712 1.00 0.00 H new ATOM 0 HD3 ARG A 111 11.624 4.951 2.747 1.00 0.00 H new ATOM 0 HE ARG A 111 11.093 2.519 1.259 1.00 0.00 H new ATOM 0 HH11 ARG A 111 13.600 4.354 2.936 1.00 0.00 H new ATOM 0 HH12 ARG A 111 14.911 3.669 1.970 1.00 0.00 H new ATOM 0 HH21 ARG A 111 12.783 1.641 0.023 1.00 0.00 H new ATOM 0 HH22 ARG A 111 14.450 2.140 0.328 1.00 0.00 H new ATOM 1675 N ALA A 112 8.601 6.167 4.379 1.00 0.00 N ATOM 1676 CA ALA A 112 7.948 6.967 3.350 1.00 0.00 C ATOM 1677 C ALA A 112 8.495 8.390 3.332 1.00 0.00 C ATOM 1678 O ALA A 112 8.700 8.975 2.267 1.00 0.00 O ATOM 1679 CB ALA A 112 6.443 6.981 3.568 1.00 0.00 C ATOM 0 H ALA A 112 7.962 5.624 4.960 1.00 0.00 H new ATOM 0 HA ALA A 112 8.159 6.512 2.382 1.00 0.00 H new ATOM 0 HB1 ALA A 112 5.969 7.582 2.792 1.00 0.00 H new ATOM 0 HB2 ALA A 112 6.059 5.962 3.523 1.00 0.00 H new ATOM 0 HB3 ALA A 112 6.221 7.409 4.545 1.00 0.00 H new ATOM 1685 N LEU A 113 8.730 8.944 4.517 1.00 0.00 N ATOM 1686 CA LEU A 113 9.254 10.300 4.637 1.00 0.00 C ATOM 1687 C LEU A 113 10.583 10.438 3.902 1.00 0.00 C ATOM 1688 O LEU A 113 10.836 11.446 3.241 1.00 0.00 O ATOM 1689 CB LEU A 113 9.432 10.670 6.111 1.00 0.00 C ATOM 1690 CG LEU A 113 8.185 11.186 6.829 1.00 0.00 C ATOM 1691 CD1 LEU A 113 8.422 11.252 8.330 1.00 0.00 C ATOM 1692 CD2 LEU A 113 7.786 12.552 6.290 1.00 0.00 C ATOM 0 H LEU A 113 8.566 8.475 5.408 1.00 0.00 H new ATOM 0 HA LEU A 113 8.536 10.982 4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 113 9.796 9.792 6.644 1.00 0.00 H new ATOM 0 HB3 LEU A 113 10.209 11.431 6.183 1.00 0.00 H new ATOM 0 HG LEU A 113 7.367 10.490 6.641 1.00 0.00 H new ATOM 0 HD11 LEU A 113 7.524 11.621 8.824 1.00 0.00 H new ATOM 0 HD12 LEU A 113 8.659 10.256 8.705 1.00 0.00 H new ATOM 0 HD13 LEU A 113 9.253 11.926 8.538 1.00 0.00 H new ATOM 0 HD21 LEU A 113 6.896 12.904 6.813 1.00 0.00 H new ATOM 0 HD22 LEU A 113 8.602 13.258 6.447 1.00 0.00 H new ATOM 0 HD23 LEU A 113 7.573 12.475 5.224 1.00 0.00 H new ATOM 1704 N ASP A 114 11.427 9.419 4.020 1.00 0.00 N ATOM 1705 CA ASP A 114 12.729 9.425 3.364 1.00 0.00 C ATOM 1706 C ASP A 114 12.579 9.628 1.860 1.00 0.00 C ATOM 1707 O ASP A 114 13.342 10.373 1.244 1.00 0.00 O ATOM 1708 CB ASP A 114 13.471 8.117 3.643 1.00 0.00 C ATOM 1709 CG ASP A 114 14.958 8.224 3.370 1.00 0.00 C ATOM 1710 OD1 ASP A 114 15.328 8.538 2.220 1.00 0.00 O ATOM 1711 OD2 ASP A 114 15.752 7.994 4.306 1.00 0.00 O ATOM 0 H ASP A 114 11.233 8.578 4.564 1.00 0.00 H new ATOM 0 HA ASP A 114 13.308 10.255 3.769 1.00 0.00 H new ATOM 0 HB2 ASP A 114 13.315 7.829 4.683 1.00 0.00 H new ATOM 0 HB3 ASP A 114 13.048 7.324 3.026 1.00 0.00 H new ATOM 1716 N LEU A 115 11.591 8.960 1.274 1.00 0.00 N ATOM 1717 CA LEU A 115 11.341 9.066 -0.160 1.00 0.00 C ATOM 1718 C LEU A 115 10.690 10.402 -0.501 1.00 0.00 C ATOM 1719 O LEU A 115 10.935 10.970 -1.566 1.00 0.00 O ATOM 1720 CB LEU A 115 10.448 7.916 -0.628 1.00 0.00 C ATOM 1721 CG LEU A 115 10.856 6.517 -0.163 1.00 0.00 C ATOM 1722 CD1 LEU A 115 9.636 5.617 -0.046 1.00 0.00 C ATOM 1723 CD2 LEU A 115 11.875 5.915 -1.119 1.00 0.00 C ATOM 0 H LEU A 115 10.950 8.340 1.769 1.00 0.00 H new ATOM 0 HA LEU A 115 12.299 9.007 -0.677 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.432 8.109 -0.285 1.00 0.00 H new ATOM 0 HB3 LEU A 115 10.423 7.922 -1.718 1.00 0.00 H new ATOM 0 HG LEU A 115 11.316 6.601 0.822 1.00 0.00 H new ATOM 0 HD11 LEU A 115 9.945 4.626 0.286 1.00 0.00 H new ATOM 0 HD12 LEU A 115 8.939 6.041 0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 115 9.147 5.538 -1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 115 12.154 4.920 -0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 115 11.441 5.844 -2.116 1.00 0.00 H new ATOM 0 HD23 LEU A 115 12.761 6.549 -1.153 1.00 0.00 H new ATOM 1735 N PHE A 116 9.860 10.901 0.409 1.00 0.00 N ATOM 1736 CA PHE A 116 9.174 12.171 0.205 1.00 0.00 C ATOM 1737 C PHE A 116 10.153 13.250 -0.249 1.00 0.00 C ATOM 1738 O PHE A 116 10.090 13.723 -1.384 1.00 0.00 O ATOM 1739 CB PHE A 116 8.475 12.610 1.493 1.00 0.00 C ATOM 1740 CG PHE A 116 7.853 13.974 1.403 1.00 0.00 C ATOM 1741 CD1 PHE A 116 6.850 14.234 0.483 1.00 0.00 C ATOM 1742 CD2 PHE A 116 8.271 14.998 2.239 1.00 0.00 C ATOM 1743 CE1 PHE A 116 6.277 15.488 0.397 1.00 0.00 C ATOM 1744 CE2 PHE A 116 7.702 16.254 2.158 1.00 0.00 C ATOM 1745 CZ PHE A 116 6.703 16.500 1.236 1.00 0.00 C ATOM 0 H PHE A 116 9.646 10.444 1.296 1.00 0.00 H new ATOM 0 HA PHE A 116 8.426 12.031 -0.576 1.00 0.00 H new ATOM 0 HB2 PHE A 116 7.702 11.883 1.743 1.00 0.00 H new ATOM 0 HB3 PHE A 116 9.197 12.602 2.310 1.00 0.00 H new ATOM 0 HD1 PHE A 116 6.512 13.447 -0.175 1.00 0.00 H new ATOM 0 HD2 PHE A 116 9.051 14.811 2.962 1.00 0.00 H new ATOM 0 HE1 PHE A 116 5.497 15.677 -0.325 1.00 0.00 H new ATOM 0 HE2 PHE A 116 8.038 17.043 2.815 1.00 0.00 H new ATOM 0 HZ PHE A 116 6.256 17.481 1.171 1.00 0.00 H new ATOM 1755 N SER A 117 11.056 13.637 0.647 1.00 0.00 N ATOM 1756 CA SER A 117 12.045 14.663 0.341 1.00 0.00 C ATOM 1757 C SER A 117 12.742 14.368 -0.984 1.00 0.00 C ATOM 1758 O SER A 117 12.794 15.218 -1.873 1.00 0.00 O ATOM 1759 CB SER A 117 13.079 14.756 1.465 1.00 0.00 C ATOM 1760 OG SER A 117 12.473 15.143 2.685 1.00 0.00 O ATOM 0 H SER A 117 11.123 13.255 1.590 1.00 0.00 H new ATOM 0 HA SER A 117 11.527 15.618 0.254 1.00 0.00 H new ATOM 0 HB2 SER A 117 13.572 13.792 1.590 1.00 0.00 H new ATOM 0 HB3 SER A 117 13.851 15.476 1.194 1.00 0.00 H new ATOM 0 HG SER A 117 13.155 15.193 3.387 1.00 0.00 H new ATOM 1766 N ASP A 118 13.277 13.159 -1.107 1.00 0.00 N ATOM 1767 CA ASP A 118 13.971 12.750 -2.323 1.00 0.00 C ATOM 1768 C ASP A 118 13.296 13.339 -3.558 1.00 0.00 C ATOM 1769 O ASP A 118 13.961 13.855 -4.454 1.00 0.00 O ATOM 1770 CB ASP A 118 14.008 11.224 -2.426 1.00 0.00 C ATOM 1771 CG ASP A 118 15.134 10.617 -1.612 1.00 0.00 C ATOM 1772 OD1 ASP A 118 15.511 11.214 -0.581 1.00 0.00 O ATOM 1773 OD2 ASP A 118 15.637 9.544 -2.004 1.00 0.00 O ATOM 0 H ASP A 118 13.244 12.445 -0.380 1.00 0.00 H new ATOM 0 HA ASP A 118 14.992 13.128 -2.274 1.00 0.00 H new ATOM 0 HB2 ASP A 118 13.056 10.816 -2.085 1.00 0.00 H new ATOM 0 HB3 ASP A 118 14.122 10.936 -3.471 1.00 0.00 H new ATOM 1778 N ASN A 119 11.970 13.256 -3.597 1.00 0.00 N ATOM 1779 CA ASN A 119 11.205 13.780 -4.723 1.00 0.00 C ATOM 1780 C ASN A 119 10.475 15.063 -4.336 1.00 0.00 C ATOM 1781 O ASN A 119 10.880 16.159 -4.721 1.00 0.00 O ATOM 1782 CB ASN A 119 10.198 12.736 -5.212 1.00 0.00 C ATOM 1783 CG ASN A 119 9.751 11.801 -4.104 1.00 0.00 C ATOM 1784 OD1 ASN A 119 9.209 12.237 -3.089 1.00 0.00 O ATOM 1785 ND2 ASN A 119 9.978 10.506 -4.296 1.00 0.00 N ATOM 0 H ASN A 119 11.403 12.831 -2.863 1.00 0.00 H new ATOM 0 HA ASN A 119 11.903 14.009 -5.528 1.00 0.00 H new ATOM 0 HB2 ASN A 119 9.328 13.242 -5.630 1.00 0.00 H new ATOM 0 HB3 ASN A 119 10.645 12.153 -6.017 1.00 0.00 H new ATOM 0 HD21 ASN A 119 9.700 9.829 -3.586 1.00 0.00 H new ATOM 0 HD22 ASN A 119 10.431 10.189 -5.153 1.00 0.00 H new ATOM 1792 N ALA A 120 9.399 14.917 -3.570 1.00 0.00 N ATOM 1793 CA ALA A 120 8.615 16.063 -3.128 1.00 0.00 C ATOM 1794 C ALA A 120 9.517 17.180 -2.614 1.00 0.00 C ATOM 1795 O ALA A 120 10.537 16.938 -1.968 1.00 0.00 O ATOM 1796 CB ALA A 120 7.626 15.643 -2.052 1.00 0.00 C ATOM 0 H ALA A 120 9.050 14.016 -3.243 1.00 0.00 H new ATOM 0 HA ALA A 120 8.061 16.445 -3.985 1.00 0.00 H new ATOM 0 HB1 ALA A 120 7.047 16.509 -1.731 1.00 0.00 H new ATOM 0 HB2 ALA A 120 6.953 14.885 -2.452 1.00 0.00 H new ATOM 0 HB3 ALA A 120 8.168 15.233 -1.200 1.00 0.00 H new ATOM 1802 N PRO A 121 9.136 18.432 -2.906 1.00 0.00 N ATOM 1803 CA PRO A 121 9.897 19.611 -2.482 1.00 0.00 C ATOM 1804 C PRO A 121 9.826 19.836 -0.975 1.00 0.00 C ATOM 1805 O PRO A 121 8.976 19.280 -0.280 1.00 0.00 O ATOM 1806 CB PRO A 121 9.215 20.761 -3.227 1.00 0.00 C ATOM 1807 CG PRO A 121 7.827 20.281 -3.475 1.00 0.00 C ATOM 1808 CD PRO A 121 7.931 18.794 -3.672 1.00 0.00 C ATOM 0 HA PRO A 121 10.959 19.512 -2.705 1.00 0.00 H new ATOM 0 HB2 PRO A 121 9.218 21.675 -2.633 1.00 0.00 H new ATOM 0 HB3 PRO A 121 9.729 20.987 -4.161 1.00 0.00 H new ATOM 0 HG2 PRO A 121 7.176 20.518 -2.634 1.00 0.00 H new ATOM 0 HG3 PRO A 121 7.399 20.762 -4.355 1.00 0.00 H new ATOM 0 HD2 PRO A 121 7.047 18.276 -3.299 1.00 0.00 H new ATOM 0 HD3 PRO A 121 8.032 18.534 -4.726 1.00 0.00 H new ATOM 1816 N PRO A 122 10.738 20.671 -0.457 1.00 0.00 N ATOM 1817 CA PRO A 122 10.799 20.990 0.972 1.00 0.00 C ATOM 1818 C PRO A 122 9.618 21.841 1.427 1.00 0.00 C ATOM 1819 O PRO A 122 8.930 22.471 0.623 1.00 0.00 O ATOM 1820 CB PRO A 122 12.106 21.774 1.106 1.00 0.00 C ATOM 1821 CG PRO A 122 12.335 22.363 -0.243 1.00 0.00 C ATOM 1822 CD PRO A 122 11.781 21.370 -1.227 1.00 0.00 C ATOM 0 HA PRO A 122 10.759 20.094 1.591 1.00 0.00 H new ATOM 0 HB2 PRO A 122 12.026 22.549 1.868 1.00 0.00 H new ATOM 0 HB3 PRO A 122 12.930 21.123 1.399 1.00 0.00 H new ATOM 0 HG2 PRO A 122 11.835 23.327 -0.338 1.00 0.00 H new ATOM 0 HG3 PRO A 122 13.397 22.536 -0.418 1.00 0.00 H new ATOM 0 HD2 PRO A 122 11.368 21.864 -2.107 1.00 0.00 H new ATOM 0 HD3 PRO A 122 12.549 20.682 -1.579 1.00 0.00 H new ATOM 1830 N PRO A 123 9.376 21.862 2.746 1.00 0.00 N ATOM 1831 CA PRO A 123 8.278 22.634 3.337 1.00 0.00 C ATOM 1832 C PRO A 123 8.518 24.137 3.258 1.00 0.00 C ATOM 1833 O PRO A 123 9.336 24.684 3.997 1.00 0.00 O ATOM 1834 CB PRO A 123 8.265 22.171 4.796 1.00 0.00 C ATOM 1835 CG PRO A 123 9.656 21.709 5.060 1.00 0.00 C ATOM 1836 CD PRO A 123 10.155 21.135 3.762 1.00 0.00 C ATOM 0 HA PRO A 123 7.336 22.469 2.814 1.00 0.00 H new ATOM 0 HB2 PRO A 123 7.984 22.983 5.466 1.00 0.00 H new ATOM 0 HB3 PRO A 123 7.545 21.367 4.950 1.00 0.00 H new ATOM 0 HG2 PRO A 123 10.286 22.535 5.389 1.00 0.00 H new ATOM 0 HG3 PRO A 123 9.675 20.959 5.851 1.00 0.00 H new ATOM 0 HD2 PRO A 123 11.226 21.295 3.637 1.00 0.00 H new ATOM 0 HD3 PRO A 123 9.984 20.060 3.706 1.00 0.00 H new ATOM 1844 N GLU A 124 7.799 24.800 2.357 1.00 0.00 N ATOM 1845 CA GLU A 124 7.936 26.241 2.182 1.00 0.00 C ATOM 1846 C GLU A 124 7.460 26.988 3.425 1.00 0.00 C ATOM 1847 O GLU A 124 6.905 26.390 4.348 1.00 0.00 O ATOM 1848 CB GLU A 124 7.142 26.707 0.959 1.00 0.00 C ATOM 1849 CG GLU A 124 7.641 26.119 -0.350 1.00 0.00 C ATOM 1850 CD GLU A 124 6.722 26.428 -1.516 1.00 0.00 C ATOM 1851 OE1 GLU A 124 6.638 27.612 -1.906 1.00 0.00 O ATOM 1852 OE2 GLU A 124 6.088 25.488 -2.038 1.00 0.00 O ATOM 0 H GLU A 124 7.117 24.362 1.738 1.00 0.00 H new ATOM 0 HA GLU A 124 8.992 26.463 2.027 1.00 0.00 H new ATOM 0 HB2 GLU A 124 6.094 26.438 1.092 1.00 0.00 H new ATOM 0 HB3 GLU A 124 7.187 27.794 0.900 1.00 0.00 H new ATOM 0 HG2 GLU A 124 8.636 26.509 -0.563 1.00 0.00 H new ATOM 0 HG3 GLU A 124 7.738 25.038 -0.245 1.00 0.00 H new ATOM 1859 N LEU A 125 7.681 28.298 3.442 1.00 0.00 N ATOM 1860 CA LEU A 125 7.276 29.127 4.571 1.00 0.00 C ATOM 1861 C LEU A 125 5.767 29.056 4.786 1.00 0.00 C ATOM 1862 O LEU A 125 5.041 28.475 3.978 1.00 0.00 O ATOM 1863 CB LEU A 125 7.702 30.578 4.343 1.00 0.00 C ATOM 1864 CG LEU A 125 9.092 30.958 4.856 1.00 0.00 C ATOM 1865 CD1 LEU A 125 9.087 31.077 6.372 1.00 0.00 C ATOM 1866 CD2 LEU A 125 10.125 29.938 4.402 1.00 0.00 C ATOM 0 H LEU A 125 8.138 28.809 2.687 1.00 0.00 H new ATOM 0 HA LEU A 125 7.770 28.746 5.465 1.00 0.00 H new ATOM 0 HB2 LEU A 125 7.663 30.783 3.273 1.00 0.00 H new ATOM 0 HB3 LEU A 125 6.970 31.230 4.820 1.00 0.00 H new ATOM 0 HG LEU A 125 9.361 31.928 4.437 1.00 0.00 H new ATOM 0 HD11 LEU A 125 10.084 31.348 6.719 1.00 0.00 H new ATOM 0 HD12 LEU A 125 8.376 31.846 6.674 1.00 0.00 H new ATOM 0 HD13 LEU A 125 8.797 30.122 6.811 1.00 0.00 H new ATOM 0 HD21 LEU A 125 11.108 30.224 4.776 1.00 0.00 H new ATOM 0 HD22 LEU A 125 9.861 28.955 4.791 1.00 0.00 H new ATOM 0 HD23 LEU A 125 10.147 29.903 3.313 1.00 0.00 H new ATOM 1878 N LEU A 126 5.301 29.654 5.877 1.00 0.00 N ATOM 1879 CA LEU A 126 3.878 29.661 6.196 1.00 0.00 C ATOM 1880 C LEU A 126 3.481 30.962 6.887 1.00 0.00 C ATOM 1881 O LEU A 126 4.291 31.582 7.574 1.00 0.00 O ATOM 1882 CB LEU A 126 3.530 28.470 7.090 1.00 0.00 C ATOM 1883 CG LEU A 126 4.088 28.512 8.513 1.00 0.00 C ATOM 1884 CD1 LEU A 126 3.246 27.653 9.443 1.00 0.00 C ATOM 1885 CD2 LEU A 126 5.540 28.055 8.530 1.00 0.00 C ATOM 0 H LEU A 126 5.888 30.140 6.555 1.00 0.00 H new ATOM 0 HA LEU A 126 3.321 29.582 5.262 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.444 28.391 7.149 1.00 0.00 H new ATOM 0 HB3 LEU A 126 3.890 27.562 6.607 1.00 0.00 H new ATOM 0 HG LEU A 126 4.048 29.542 8.868 1.00 0.00 H new ATOM 0 HD11 LEU A 126 3.659 27.696 10.451 1.00 0.00 H new ATOM 0 HD12 LEU A 126 2.222 28.025 9.454 1.00 0.00 H new ATOM 0 HD13 LEU A 126 3.253 26.621 9.091 1.00 0.00 H new ATOM 0 HD21 LEU A 126 5.921 28.091 9.551 1.00 0.00 H new ATOM 0 HD22 LEU A 126 5.604 27.034 8.155 1.00 0.00 H new ATOM 0 HD23 LEU A 126 6.136 28.712 7.897 1.00 0.00 H new ATOM 1897 N GLU A 127 2.229 31.368 6.699 1.00 0.00 N ATOM 1898 CA GLU A 127 1.726 32.595 7.305 1.00 0.00 C ATOM 1899 C GLU A 127 0.256 32.448 7.690 1.00 0.00 C ATOM 1900 O GLU A 127 -0.559 31.970 6.900 1.00 0.00 O ATOM 1901 CB GLU A 127 1.897 33.773 6.344 1.00 0.00 C ATOM 1902 CG GLU A 127 1.167 33.593 5.024 1.00 0.00 C ATOM 1903 CD GLU A 127 1.111 34.871 4.209 1.00 0.00 C ATOM 1904 OE1 GLU A 127 2.143 35.570 4.133 1.00 0.00 O ATOM 1905 OE2 GLU A 127 0.036 35.171 3.649 1.00 0.00 O ATOM 0 H GLU A 127 1.545 30.866 6.133 1.00 0.00 H new ATOM 0 HA GLU A 127 2.304 32.787 8.209 1.00 0.00 H new ATOM 0 HB2 GLU A 127 1.537 34.681 6.828 1.00 0.00 H new ATOM 0 HB3 GLU A 127 2.959 33.918 6.145 1.00 0.00 H new ATOM 0 HG2 GLU A 127 1.663 32.817 4.442 1.00 0.00 H new ATOM 0 HG3 GLU A 127 0.152 33.246 5.219 1.00 0.00 H new ATOM 1912 N SER A 128 -0.075 32.862 8.909 1.00 0.00 N ATOM 1913 CA SER A 128 -1.445 32.774 9.401 1.00 0.00 C ATOM 1914 C SER A 128 -1.965 34.148 9.809 1.00 0.00 C ATOM 1915 O SER A 128 -1.347 34.846 10.612 1.00 0.00 O ATOM 1916 CB SER A 128 -1.521 31.813 10.589 1.00 0.00 C ATOM 1917 OG SER A 128 -2.839 31.324 10.766 1.00 0.00 O ATOM 0 H SER A 128 0.587 33.262 9.574 1.00 0.00 H new ATOM 0 HA SER A 128 -2.071 32.393 8.594 1.00 0.00 H new ATOM 0 HB2 SER A 128 -0.838 30.978 10.430 1.00 0.00 H new ATOM 0 HB3 SER A 128 -1.194 32.323 11.495 1.00 0.00 H new ATOM 0 HG SER A 128 -2.861 30.711 11.530 1.00 0.00 H new ATOM 1923 N GLY A 129 -3.109 34.532 9.249 1.00 0.00 N ATOM 1924 CA GLY A 129 -3.694 35.821 9.566 1.00 0.00 C ATOM 1925 C GLY A 129 -4.565 35.773 10.806 1.00 0.00 C ATOM 1926 O GLY A 129 -4.414 34.902 11.663 1.00 0.00 O ATOM 0 H GLY A 129 -3.640 33.973 8.582 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -2.898 36.551 9.713 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -4.290 36.164 8.720 1.00 0.00 H new ATOM 1930 N PRO A 130 -5.500 36.728 10.914 1.00 0.00 N ATOM 1931 CA PRO A 130 -6.416 36.814 12.056 1.00 0.00 C ATOM 1932 C PRO A 130 -7.434 35.678 12.069 1.00 0.00 C ATOM 1933 O PRO A 130 -8.002 35.353 13.112 1.00 0.00 O ATOM 1934 CB PRO A 130 -7.117 38.158 11.848 1.00 0.00 C ATOM 1935 CG PRO A 130 -7.036 38.405 10.381 1.00 0.00 C ATOM 1936 CD PRO A 130 -5.737 37.798 9.930 1.00 0.00 C ATOM 0 HA PRO A 130 -5.890 36.735 13.007 1.00 0.00 H new ATOM 0 HB2 PRO A 130 -8.152 38.121 12.187 1.00 0.00 H new ATOM 0 HB3 PRO A 130 -6.626 38.952 12.411 1.00 0.00 H new ATOM 0 HG2 PRO A 130 -7.880 37.951 9.862 1.00 0.00 H new ATOM 0 HG3 PRO A 130 -7.064 39.473 10.163 1.00 0.00 H new ATOM 0 HD2 PRO A 130 -5.809 37.403 8.917 1.00 0.00 H new ATOM 0 HD3 PRO A 130 -4.930 38.530 9.931 1.00 0.00 H new ATOM 1944 N SER A 131 -7.659 35.079 10.904 1.00 0.00 N ATOM 1945 CA SER A 131 -8.612 33.981 10.782 1.00 0.00 C ATOM 1946 C SER A 131 -8.136 32.759 11.561 1.00 0.00 C ATOM 1947 O SER A 131 -7.198 32.074 11.151 1.00 0.00 O ATOM 1948 CB SER A 131 -8.814 33.615 9.310 1.00 0.00 C ATOM 1949 OG SER A 131 -7.574 33.359 8.674 1.00 0.00 O ATOM 0 H SER A 131 -7.195 35.335 10.032 1.00 0.00 H new ATOM 0 HA SER A 131 -9.563 34.309 11.202 1.00 0.00 H new ATOM 0 HB2 SER A 131 -9.453 32.735 9.235 1.00 0.00 H new ATOM 0 HB3 SER A 131 -9.329 34.428 8.797 1.00 0.00 H new ATOM 0 HG SER A 131 -7.031 32.772 9.240 1.00 0.00 H new ATOM 1955 N SER A 132 -8.789 32.492 12.687 1.00 0.00 N ATOM 1956 CA SER A 132 -8.431 31.354 13.527 1.00 0.00 C ATOM 1957 C SER A 132 -9.679 30.665 14.068 1.00 0.00 C ATOM 1958 O SER A 132 -10.756 31.257 14.121 1.00 0.00 O ATOM 1959 CB SER A 132 -7.542 31.809 14.686 1.00 0.00 C ATOM 1960 OG SER A 132 -6.243 32.146 14.232 1.00 0.00 O ATOM 0 H SER A 132 -9.569 33.048 13.039 1.00 0.00 H new ATOM 0 HA SER A 132 -7.880 30.640 12.915 1.00 0.00 H new ATOM 0 HB2 SER A 132 -7.993 32.671 15.178 1.00 0.00 H new ATOM 0 HB3 SER A 132 -7.476 31.016 15.430 1.00 0.00 H new ATOM 0 HG SER A 132 -5.696 32.435 14.992 1.00 0.00 H new ATOM 1966 N GLY A 133 -9.525 29.406 14.470 1.00 0.00 N ATOM 1967 CA GLY A 133 -10.647 28.655 15.002 1.00 0.00 C ATOM 1968 C GLY A 133 -10.207 27.458 15.821 1.00 0.00 C ATOM 1969 O GLY A 133 -9.011 27.203 15.967 1.00 0.00 O ATOM 0 H GLY A 133 -8.644 28.894 14.436 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -11.258 29.311 15.622 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -11.277 28.317 14.179 1.00 0.00 H new TER 1973 GLY A 133