USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 847 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 53 SER OG : rot -90:sc= -0.19 USER MOD Set 1.2: A 103 THR OG1 : rot -171:sc= 0.95 USER MOD Set 2.1: A 41 SER OG : rot -58:sc= 0.307 USER MOD Set 2.2: A 48 THR OG1 : rot 180:sc= 0.367 USER MOD Set 3.1: A 21 SER OG : rot 180:sc= -0.0295 USER MOD Set 3.2: A 22 GLN : amide:sc= -1.25 K(o=-1.3,f=-2.6!) USER MOD Set 4.1: A 11 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 92 HIS :FLIP no HD1:sc= -0.237 F(o=-0.83,f=-0.24) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (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 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 130:sc= -0.0714 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 30 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.434) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 173:sc= -2.6 (180deg=-2.8) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= -0.268 USER MOD Single : A 43 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.016) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.286 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS :FLIP no HD1:sc= -1.21 F(o=-2.1,f=-1.2) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HE2:sc= -0.0321 X(o=-0.032,f=-0.13) USER MOD Single : A 69 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.852 K(o=-0.85,f=-4.1!) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 ASN : amide:sc= -1.97 K(o=-2,f=-4.5!) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 62:sc= 0.947 USER MOD Single : A 89 LYS NZ :NH3+ -157:sc= -0.0438 (180deg=-0.295) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS :FLIP no HE2:sc= -4.8! C(o=-6.6!,f=-4.8!) USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 97 ASN : amide:sc= 0.337 X(o=0.34,f=0.061) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HD1:sc= -0.489 X(o=-0.49,f=-0.13) USER MOD Single : A 110 SER OG : rot 108:sc= -0.0343 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.634 -21.119 -13.974 1.00 0.00 N ATOM 2 CA GLY A 1 -16.135 -19.783 -14.239 1.00 0.00 C ATOM 3 C GLY A 1 -15.163 -18.951 -15.051 1.00 0.00 C ATOM 4 O GLY A 1 -15.348 -18.765 -16.254 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.334 -21.648 -13.416 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.465 -21.611 -14.874 1.00 0.00 H new ATOM 0 H3 GLY A 1 -14.743 -21.056 -13.441 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.083 -19.853 -14.773 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.338 -19.280 -13.294 1.00 0.00 H new ATOM 8 N SER A 2 -14.124 -18.446 -14.393 1.00 0.00 N ATOM 9 CA SER A 2 -13.123 -17.624 -15.061 1.00 0.00 C ATOM 10 C SER A 2 -11.715 -18.125 -14.753 1.00 0.00 C ATOM 11 O SER A 2 -11.510 -18.896 -13.815 1.00 0.00 O ATOM 12 CB SER A 2 -13.262 -16.163 -14.629 1.00 0.00 C ATOM 13 OG SER A 2 -14.372 -15.548 -15.259 1.00 0.00 O ATOM 0 H SER A 2 -13.954 -18.592 -13.398 1.00 0.00 H new ATOM 0 HA SER A 2 -13.288 -17.695 -16.136 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.379 -16.110 -13.547 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.351 -15.619 -14.878 1.00 0.00 H new ATOM 0 HG SER A 2 -14.440 -14.616 -14.965 1.00 0.00 H new ATOM 19 N SER A 3 -10.748 -17.681 -15.550 1.00 0.00 N ATOM 20 CA SER A 3 -9.359 -18.087 -15.367 1.00 0.00 C ATOM 21 C SER A 3 -8.421 -17.188 -16.165 1.00 0.00 C ATOM 22 O SER A 3 -8.780 -16.686 -17.229 1.00 0.00 O ATOM 23 CB SER A 3 -9.172 -19.545 -15.790 1.00 0.00 C ATOM 24 OG SER A 3 -7.884 -20.018 -15.432 1.00 0.00 O ATOM 0 H SER A 3 -10.901 -17.040 -16.329 1.00 0.00 H new ATOM 0 HA SER A 3 -9.114 -17.990 -14.309 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.935 -20.165 -15.318 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.310 -19.635 -16.868 1.00 0.00 H new ATOM 0 HG SER A 3 -7.789 -20.953 -15.711 1.00 0.00 H new ATOM 30 N GLY A 4 -7.214 -16.990 -15.643 1.00 0.00 N ATOM 31 CA GLY A 4 -6.241 -16.152 -16.319 1.00 0.00 C ATOM 32 C GLY A 4 -4.923 -16.078 -15.575 1.00 0.00 C ATOM 33 O GLY A 4 -4.657 -16.887 -14.687 1.00 0.00 O ATOM 0 H GLY A 4 -6.893 -17.395 -14.764 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.067 -16.540 -17.323 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.648 -15.147 -16.432 1.00 0.00 H new ATOM 37 N SER A 5 -4.094 -15.105 -15.939 1.00 0.00 N ATOM 38 CA SER A 5 -2.792 -14.931 -15.304 1.00 0.00 C ATOM 39 C SER A 5 -2.946 -14.726 -13.799 1.00 0.00 C ATOM 40 O SER A 5 -3.984 -14.262 -13.328 1.00 0.00 O ATOM 41 CB SER A 5 -2.055 -13.741 -15.920 1.00 0.00 C ATOM 42 OG SER A 5 -2.814 -12.552 -15.796 1.00 0.00 O ATOM 0 H SER A 5 -4.300 -14.425 -16.670 1.00 0.00 H new ATOM 0 HA SER A 5 -2.209 -15.836 -15.473 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.090 -13.613 -15.429 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.853 -13.939 -16.973 1.00 0.00 H new ATOM 0 HG SER A 5 -2.320 -11.806 -16.196 1.00 0.00 H new ATOM 48 N SER A 6 -1.904 -15.076 -13.052 1.00 0.00 N ATOM 49 CA SER A 6 -1.923 -14.934 -11.601 1.00 0.00 C ATOM 50 C SER A 6 -0.528 -14.628 -11.066 1.00 0.00 C ATOM 51 O SER A 6 0.451 -15.265 -11.453 1.00 0.00 O ATOM 52 CB SER A 6 -2.463 -16.209 -10.949 1.00 0.00 C ATOM 53 OG SER A 6 -2.909 -15.958 -9.628 1.00 0.00 O ATOM 0 H SER A 6 -1.037 -15.460 -13.427 1.00 0.00 H new ATOM 0 HA SER A 6 -2.580 -14.100 -11.352 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.286 -16.605 -11.545 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.684 -16.971 -10.934 1.00 0.00 H new ATOM 0 HG SER A 6 -3.251 -16.788 -9.235 1.00 0.00 H new ATOM 59 N GLY A 7 -0.445 -13.647 -10.173 1.00 0.00 N ATOM 60 CA GLY A 7 0.835 -13.271 -9.600 1.00 0.00 C ATOM 61 C GLY A 7 0.820 -11.873 -9.014 1.00 0.00 C ATOM 62 O GLY A 7 -0.242 -11.269 -8.855 1.00 0.00 O ATOM 0 H GLY A 7 -1.241 -13.106 -9.836 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.105 -13.985 -8.822 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.605 -13.331 -10.369 1.00 0.00 H new ATOM 66 N LEU A 8 2.001 -11.356 -8.693 1.00 0.00 N ATOM 67 CA LEU A 8 2.121 -10.019 -8.121 1.00 0.00 C ATOM 68 C LEU A 8 3.213 -9.220 -8.826 1.00 0.00 C ATOM 69 O LEU A 8 3.027 -8.047 -9.147 1.00 0.00 O ATOM 70 CB LEU A 8 2.424 -10.109 -6.625 1.00 0.00 C ATOM 71 CG LEU A 8 1.211 -10.192 -5.697 1.00 0.00 C ATOM 72 CD1 LEU A 8 1.648 -10.502 -4.274 1.00 0.00 C ATOM 73 CD2 LEU A 8 0.415 -8.896 -5.742 1.00 0.00 C ATOM 0 H LEU A 8 2.889 -11.842 -8.819 1.00 0.00 H new ATOM 0 HA LEU A 8 1.171 -9.503 -8.263 1.00 0.00 H new ATOM 0 HB2 LEU A 8 3.048 -10.986 -6.453 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.014 -9.238 -6.341 1.00 0.00 H new ATOM 0 HG LEU A 8 0.568 -11.002 -6.042 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.772 -10.557 -3.628 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.174 -11.457 -4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.312 -9.715 -3.918 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.444 -8.973 -5.076 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.049 -8.069 -5.423 1.00 0.00 H new ATOM 0 HD23 LEU A 8 0.070 -8.716 -6.760 1.00 0.00 H new ATOM 85 N ASP A 9 4.349 -9.866 -9.065 1.00 0.00 N ATOM 86 CA ASP A 9 5.470 -9.216 -9.735 1.00 0.00 C ATOM 87 C ASP A 9 4.996 -8.443 -10.962 1.00 0.00 C ATOM 88 O ASP A 9 5.497 -7.359 -11.256 1.00 0.00 O ATOM 89 CB ASP A 9 6.517 -10.254 -10.145 1.00 0.00 C ATOM 90 CG ASP A 9 6.707 -11.330 -9.093 1.00 0.00 C ATOM 91 OD1 ASP A 9 7.375 -11.053 -8.074 1.00 0.00 O ATOM 92 OD2 ASP A 9 6.189 -12.448 -9.289 1.00 0.00 O ATOM 0 H ASP A 9 4.518 -10.838 -8.805 1.00 0.00 H new ATOM 0 HA ASP A 9 5.921 -8.512 -9.036 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.217 -10.717 -11.085 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.469 -9.754 -10.326 1.00 0.00 H new ATOM 97 N ASP A 10 4.028 -9.010 -11.675 1.00 0.00 N ATOM 98 CA ASP A 10 3.486 -8.374 -12.870 1.00 0.00 C ATOM 99 C ASP A 10 3.174 -6.904 -12.609 1.00 0.00 C ATOM 100 O ASP A 10 3.588 -6.027 -13.368 1.00 0.00 O ATOM 101 CB ASP A 10 2.223 -9.101 -13.332 1.00 0.00 C ATOM 102 CG ASP A 10 2.014 -9.004 -14.831 1.00 0.00 C ATOM 103 OD1 ASP A 10 1.960 -7.869 -15.349 1.00 0.00 O ATOM 104 OD2 ASP A 10 1.905 -10.062 -15.485 1.00 0.00 O ATOM 0 H ASP A 10 3.603 -9.909 -11.446 1.00 0.00 H new ATOM 0 HA ASP A 10 4.239 -8.433 -13.656 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.286 -10.150 -13.044 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.358 -8.681 -12.820 1.00 0.00 H new ATOM 109 N TYR A 11 2.443 -6.641 -11.532 1.00 0.00 N ATOM 110 CA TYR A 11 2.072 -5.277 -11.173 1.00 0.00 C ATOM 111 C TYR A 11 3.311 -4.430 -10.901 1.00 0.00 C ATOM 112 O TYR A 11 4.428 -4.945 -10.840 1.00 0.00 O ATOM 113 CB TYR A 11 1.163 -5.280 -9.943 1.00 0.00 C ATOM 114 CG TYR A 11 -0.062 -6.154 -10.097 1.00 0.00 C ATOM 115 CD1 TYR A 11 -1.062 -5.828 -11.005 1.00 0.00 C ATOM 116 CD2 TYR A 11 -0.218 -7.305 -9.336 1.00 0.00 C ATOM 117 CE1 TYR A 11 -2.183 -6.622 -11.148 1.00 0.00 C ATOM 118 CE2 TYR A 11 -1.336 -8.106 -9.474 1.00 0.00 C ATOM 119 CZ TYR A 11 -2.315 -7.760 -10.381 1.00 0.00 C ATOM 120 OH TYR A 11 -3.430 -8.555 -10.522 1.00 0.00 O ATOM 0 H TYR A 11 2.095 -7.355 -10.892 1.00 0.00 H new ATOM 0 HA TYR A 11 1.533 -4.841 -12.014 1.00 0.00 H new ATOM 0 HB2 TYR A 11 1.735 -5.620 -9.080 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.846 -4.258 -9.733 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.961 -4.939 -11.609 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.547 -7.579 -8.624 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -2.952 -6.353 -11.857 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -1.442 -8.998 -8.875 1.00 0.00 H new ATOM 0 HH TYR A 11 -3.368 -9.318 -9.910 1.00 0.00 H new ATOM 130 N ASP A 12 3.105 -3.128 -10.739 1.00 0.00 N ATOM 131 CA ASP A 12 4.204 -2.207 -10.472 1.00 0.00 C ATOM 132 C ASP A 12 4.281 -1.869 -8.987 1.00 0.00 C ATOM 133 O ASP A 12 5.320 -2.051 -8.352 1.00 0.00 O ATOM 134 CB ASP A 12 4.036 -0.927 -11.292 1.00 0.00 C ATOM 135 CG ASP A 12 4.632 -1.045 -12.681 1.00 0.00 C ATOM 136 OD1 ASP A 12 5.846 -1.321 -12.783 1.00 0.00 O ATOM 137 OD2 ASP A 12 3.885 -0.862 -13.664 1.00 0.00 O ATOM 0 H ASP A 12 2.187 -2.686 -10.788 1.00 0.00 H new ATOM 0 HA ASP A 12 5.134 -2.696 -10.763 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.976 -0.689 -11.374 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.509 -0.098 -10.766 1.00 0.00 H new ATOM 142 N TRP A 13 3.176 -1.376 -8.440 1.00 0.00 N ATOM 143 CA TRP A 13 3.119 -1.011 -7.029 1.00 0.00 C ATOM 144 C TRP A 13 3.785 -2.076 -6.164 1.00 0.00 C ATOM 145 O TRP A 13 4.402 -1.765 -5.145 1.00 0.00 O ATOM 146 CB TRP A 13 1.667 -0.815 -6.589 1.00 0.00 C ATOM 147 CG TRP A 13 0.724 -1.812 -7.193 1.00 0.00 C ATOM 148 CD1 TRP A 13 0.024 -1.676 -8.358 1.00 0.00 C ATOM 149 CD2 TRP A 13 0.377 -3.094 -6.661 1.00 0.00 C ATOM 150 NE1 TRP A 13 -0.737 -2.798 -8.581 1.00 0.00 N ATOM 151 CE2 TRP A 13 -0.537 -3.683 -7.556 1.00 0.00 C ATOM 152 CE3 TRP A 13 0.751 -3.804 -5.516 1.00 0.00 C ATOM 153 CZ2 TRP A 13 -1.082 -4.946 -7.339 1.00 0.00 C ATOM 154 CZ3 TRP A 13 0.210 -5.056 -5.303 1.00 0.00 C ATOM 155 CH2 TRP A 13 -0.698 -5.618 -6.211 1.00 0.00 C ATOM 0 H TRP A 13 2.308 -1.220 -8.952 1.00 0.00 H new ATOM 0 HA TRP A 13 3.660 -0.073 -6.900 1.00 0.00 H new ATOM 0 HB2 TRP A 13 1.611 -0.885 -5.503 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.345 0.190 -6.861 1.00 0.00 H new ATOM 0 HD1 TRP A 13 0.063 -0.814 -9.008 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -1.352 -2.947 -9.381 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.451 -3.380 -4.811 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -1.783 -5.380 -8.037 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 0.491 -5.612 -4.421 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -1.102 -6.600 -6.016 1.00 0.00 H new ATOM 166 N PHE A 14 3.656 -3.332 -6.577 1.00 0.00 N ATOM 167 CA PHE A 14 4.246 -4.444 -5.839 1.00 0.00 C ATOM 168 C PHE A 14 5.767 -4.431 -5.959 1.00 0.00 C ATOM 169 O PHE A 14 6.327 -4.938 -6.931 1.00 0.00 O ATOM 170 CB PHE A 14 3.693 -5.775 -6.352 1.00 0.00 C ATOM 171 CG PHE A 14 4.205 -6.968 -5.598 1.00 0.00 C ATOM 172 CD1 PHE A 14 3.863 -7.165 -4.270 1.00 0.00 C ATOM 173 CD2 PHE A 14 5.032 -7.893 -6.216 1.00 0.00 C ATOM 174 CE1 PHE A 14 4.333 -8.262 -3.573 1.00 0.00 C ATOM 175 CE2 PHE A 14 5.505 -8.992 -5.524 1.00 0.00 C ATOM 176 CZ PHE A 14 5.157 -9.176 -4.201 1.00 0.00 C ATOM 0 H PHE A 14 3.149 -3.606 -7.418 1.00 0.00 H new ATOM 0 HA PHE A 14 3.982 -4.330 -4.788 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.605 -5.755 -6.289 1.00 0.00 H new ATOM 0 HB3 PHE A 14 3.950 -5.884 -7.406 1.00 0.00 H new ATOM 0 HD1 PHE A 14 3.221 -6.452 -3.773 1.00 0.00 H new ATOM 0 HD2 PHE A 14 5.310 -7.753 -7.250 1.00 0.00 H new ATOM 0 HE1 PHE A 14 4.057 -8.405 -2.539 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.147 -9.706 -6.018 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.528 -10.033 -3.658 1.00 0.00 H new ATOM 186 N ALA A 15 6.428 -3.848 -4.965 1.00 0.00 N ATOM 187 CA ALA A 15 7.884 -3.770 -4.959 1.00 0.00 C ATOM 188 C ALA A 15 8.502 -5.091 -4.515 1.00 0.00 C ATOM 189 O ALA A 15 9.540 -5.506 -5.029 1.00 0.00 O ATOM 190 CB ALA A 15 8.348 -2.638 -4.054 1.00 0.00 C ATOM 0 H ALA A 15 5.979 -3.423 -4.154 1.00 0.00 H new ATOM 0 HA ALA A 15 8.217 -3.567 -5.977 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.437 -2.591 -4.059 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.943 -1.693 -4.416 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.997 -2.818 -3.038 1.00 0.00 H new ATOM 196 N GLY A 16 7.857 -5.749 -3.556 1.00 0.00 N ATOM 197 CA GLY A 16 8.360 -7.016 -3.059 1.00 0.00 C ATOM 198 C GLY A 16 9.131 -6.866 -1.764 1.00 0.00 C ATOM 199 O GLY A 16 8.927 -5.909 -1.019 1.00 0.00 O ATOM 0 H GLY A 16 6.996 -5.427 -3.115 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.525 -7.699 -2.904 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.006 -7.468 -3.812 1.00 0.00 H new ATOM 203 N ASN A 17 10.022 -7.816 -1.493 1.00 0.00 N ATOM 204 CA ASN A 17 10.825 -7.786 -0.276 1.00 0.00 C ATOM 205 C ASN A 17 11.687 -6.528 -0.225 1.00 0.00 C ATOM 206 O ASN A 17 12.535 -6.308 -1.091 1.00 0.00 O ATOM 207 CB ASN A 17 11.714 -9.029 -0.196 1.00 0.00 C ATOM 208 CG ASN A 17 11.017 -10.194 0.481 1.00 0.00 C ATOM 209 OD1 ASN A 17 11.034 -10.315 1.706 1.00 0.00 O ATOM 210 ND2 ASN A 17 10.400 -11.059 -0.316 1.00 0.00 N ATOM 0 H ASN A 17 10.205 -8.615 -2.100 1.00 0.00 H new ATOM 0 HA ASN A 17 10.147 -7.776 0.577 1.00 0.00 H new ATOM 0 HB2 ASN A 17 12.014 -9.323 -1.202 1.00 0.00 H new ATOM 0 HB3 ASN A 17 12.625 -8.786 0.351 1.00 0.00 H new ATOM 0 HD21 ASN A 17 9.915 -11.863 0.082 1.00 0.00 H new ATOM 0 HD22 ASN A 17 10.412 -10.919 -1.326 1.00 0.00 H new ATOM 217 N ILE A 18 11.465 -5.707 0.796 1.00 0.00 N ATOM 218 CA ILE A 18 12.222 -4.472 0.961 1.00 0.00 C ATOM 219 C ILE A 18 12.457 -4.164 2.436 1.00 0.00 C ATOM 220 O ILE A 18 11.716 -4.628 3.303 1.00 0.00 O ATOM 221 CB ILE A 18 11.503 -3.278 0.307 1.00 0.00 C ATOM 222 CG1 ILE A 18 10.015 -3.293 0.665 1.00 0.00 C ATOM 223 CG2 ILE A 18 11.690 -3.309 -1.203 1.00 0.00 C ATOM 224 CD1 ILE A 18 9.228 -2.169 0.028 1.00 0.00 C ATOM 0 H ILE A 18 10.767 -5.875 1.521 1.00 0.00 H new ATOM 0 HA ILE A 18 13.181 -4.622 0.466 1.00 0.00 H new ATOM 0 HB ILE A 18 11.941 -2.356 0.689 1.00 0.00 H new ATOM 0 HG12 ILE A 18 9.585 -4.246 0.357 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.910 -3.231 1.748 1.00 0.00 H new ATOM 0 HG21 ILE A 18 11.176 -2.459 -1.651 1.00 0.00 H new ATOM 0 HG22 ILE A 18 12.753 -3.256 -1.439 1.00 0.00 H new ATOM 0 HG23 ILE A 18 11.275 -4.235 -1.602 1.00 0.00 H new ATOM 0 HD11 ILE A 18 8.182 -2.243 0.326 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.632 -1.211 0.356 1.00 0.00 H new ATOM 0 HD13 ILE A 18 9.302 -2.242 -1.057 1.00 0.00 H new ATOM 236 N SER A 19 13.490 -3.377 2.714 1.00 0.00 N ATOM 237 CA SER A 19 13.824 -3.008 4.084 1.00 0.00 C ATOM 238 C SER A 19 13.299 -1.614 4.415 1.00 0.00 C ATOM 239 O SER A 19 13.267 -0.732 3.556 1.00 0.00 O ATOM 240 CB SER A 19 15.338 -3.058 4.294 1.00 0.00 C ATOM 241 OG SER A 19 15.875 -4.292 3.849 1.00 0.00 O ATOM 0 H SER A 19 14.111 -2.982 2.008 1.00 0.00 H new ATOM 0 HA SER A 19 13.348 -3.725 4.753 1.00 0.00 H new ATOM 0 HB2 SER A 19 15.810 -2.237 3.755 1.00 0.00 H new ATOM 0 HB3 SER A 19 15.566 -2.918 5.351 1.00 0.00 H new ATOM 0 HG SER A 19 16.844 -4.298 3.993 1.00 0.00 H new ATOM 247 N ARG A 20 12.890 -1.423 5.664 1.00 0.00 N ATOM 248 CA ARG A 20 12.365 -0.137 6.108 1.00 0.00 C ATOM 249 C ARG A 20 13.096 1.014 5.424 1.00 0.00 C ATOM 250 O ARG A 20 12.480 1.998 5.015 1.00 0.00 O ATOM 251 CB ARG A 20 12.495 -0.007 7.628 1.00 0.00 C ATOM 252 CG ARG A 20 11.911 1.283 8.180 1.00 0.00 C ATOM 253 CD ARG A 20 12.190 1.428 9.667 1.00 0.00 C ATOM 254 NE ARG A 20 12.199 2.827 10.088 1.00 0.00 N ATOM 255 CZ ARG A 20 13.263 3.616 9.992 1.00 0.00 C ATOM 256 NH1 ARG A 20 14.397 3.148 9.491 1.00 0.00 N ATOM 257 NH2 ARG A 20 13.194 4.878 10.397 1.00 0.00 N ATOM 0 H ARG A 20 12.912 -2.142 6.387 1.00 0.00 H new ATOM 0 HA ARG A 20 11.311 -0.089 5.834 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.997 -0.853 8.101 1.00 0.00 H new ATOM 0 HB3 ARG A 20 13.549 -0.065 7.901 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.333 2.133 7.645 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.835 1.300 8.007 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.433 0.884 10.233 1.00 0.00 H new ATOM 0 HD3 ARG A 20 13.152 0.973 9.902 1.00 0.00 H new ATOM 0 HE ARG A 20 11.341 3.219 10.477 1.00 0.00 H new ATOM 0 HH11 ARG A 20 14.455 2.179 9.178 1.00 0.00 H new ATOM 0 HH12 ARG A 20 15.212 3.757 9.419 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.323 5.243 10.783 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.012 5.483 10.323 1.00 0.00 H new ATOM 271 N SER A 21 14.413 0.884 5.304 1.00 0.00 N ATOM 272 CA SER A 21 15.230 1.914 4.673 1.00 0.00 C ATOM 273 C SER A 21 14.897 2.039 3.189 1.00 0.00 C ATOM 274 O SER A 21 14.721 3.142 2.673 1.00 0.00 O ATOM 275 CB SER A 21 16.716 1.597 4.849 1.00 0.00 C ATOM 276 OG SER A 21 17.039 0.338 4.283 1.00 0.00 O ATOM 0 H SER A 21 14.938 0.075 5.636 1.00 0.00 H new ATOM 0 HA SER A 21 15.009 2.865 5.158 1.00 0.00 H new ATOM 0 HB2 SER A 21 17.316 2.376 4.378 1.00 0.00 H new ATOM 0 HB3 SER A 21 16.968 1.598 5.909 1.00 0.00 H new ATOM 0 HG SER A 21 17.995 0.159 4.407 1.00 0.00 H new ATOM 282 N GLN A 22 14.812 0.899 2.511 1.00 0.00 N ATOM 283 CA GLN A 22 14.502 0.880 1.086 1.00 0.00 C ATOM 284 C GLN A 22 13.085 1.383 0.831 1.00 0.00 C ATOM 285 O GLN A 22 12.883 2.357 0.107 1.00 0.00 O ATOM 286 CB GLN A 22 14.661 -0.536 0.527 1.00 0.00 C ATOM 287 CG GLN A 22 16.098 -0.897 0.189 1.00 0.00 C ATOM 288 CD GLN A 22 17.057 -0.609 1.328 1.00 0.00 C ATOM 289 OE1 GLN A 22 17.305 -1.466 2.177 1.00 0.00 O ATOM 290 NE2 GLN A 22 17.602 0.601 1.352 1.00 0.00 N ATOM 0 H GLN A 22 14.953 -0.023 2.925 1.00 0.00 H new ATOM 0 HA GLN A 22 15.201 1.545 0.579 1.00 0.00 H new ATOM 0 HB2 GLN A 22 14.277 -1.251 1.255 1.00 0.00 H new ATOM 0 HB3 GLN A 22 14.049 -0.635 -0.370 1.00 0.00 H new ATOM 0 HG2 GLN A 22 16.152 -1.955 -0.067 1.00 0.00 H new ATOM 0 HG3 GLN A 22 16.411 -0.339 -0.694 1.00 0.00 H new ATOM 0 HE21 GLN A 22 17.368 1.280 0.628 1.00 0.00 H new ATOM 0 HE22 GLN A 22 18.255 0.852 2.095 1.00 0.00 H new ATOM 299 N SER A 23 12.107 0.712 1.431 1.00 0.00 N ATOM 300 CA SER A 23 10.708 1.088 1.266 1.00 0.00 C ATOM 301 C SER A 23 10.539 2.602 1.350 1.00 0.00 C ATOM 302 O SER A 23 9.833 3.204 0.542 1.00 0.00 O ATOM 303 CB SER A 23 9.845 0.407 2.330 1.00 0.00 C ATOM 304 OG SER A 23 10.213 0.831 3.631 1.00 0.00 O ATOM 0 H SER A 23 12.258 -0.095 2.036 1.00 0.00 H new ATOM 0 HA SER A 23 10.383 0.758 0.280 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.794 0.637 2.153 1.00 0.00 H new ATOM 0 HB3 SER A 23 9.952 -0.675 2.252 1.00 0.00 H new ATOM 0 HG SER A 23 9.412 1.108 4.123 1.00 0.00 H new ATOM 310 N GLU A 24 11.194 3.209 2.334 1.00 0.00 N ATOM 311 CA GLU A 24 11.116 4.654 2.526 1.00 0.00 C ATOM 312 C GLU A 24 11.913 5.388 1.452 1.00 0.00 C ATOM 313 O GLU A 24 11.380 6.240 0.742 1.00 0.00 O ATOM 314 CB GLU A 24 11.635 5.036 3.913 1.00 0.00 C ATOM 315 CG GLU A 24 10.640 4.768 5.030 1.00 0.00 C ATOM 316 CD GLU A 24 11.069 5.374 6.352 1.00 0.00 C ATOM 317 OE1 GLU A 24 12.290 5.432 6.607 1.00 0.00 O ATOM 318 OE2 GLU A 24 10.186 5.789 7.130 1.00 0.00 O ATOM 0 H GLU A 24 11.784 2.724 3.010 1.00 0.00 H new ATOM 0 HA GLU A 24 10.070 4.950 2.444 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.552 4.482 4.114 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.895 6.095 3.916 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.667 5.171 4.749 1.00 0.00 H new ATOM 0 HG3 GLU A 24 10.517 3.692 5.151 1.00 0.00 H new ATOM 325 N GLN A 25 13.195 5.051 1.340 1.00 0.00 N ATOM 326 CA GLN A 25 14.066 5.680 0.355 1.00 0.00 C ATOM 327 C GLN A 25 13.351 5.836 -0.984 1.00 0.00 C ATOM 328 O GLN A 25 13.341 6.919 -1.571 1.00 0.00 O ATOM 329 CB GLN A 25 15.342 4.856 0.171 1.00 0.00 C ATOM 330 CG GLN A 25 16.491 5.641 -0.437 1.00 0.00 C ATOM 331 CD GLN A 25 17.725 4.789 -0.666 1.00 0.00 C ATOM 332 OE1 GLN A 25 17.625 3.593 -0.942 1.00 0.00 O ATOM 333 NE2 GLN A 25 18.897 5.401 -0.549 1.00 0.00 N ATOM 0 H GLN A 25 13.652 4.347 1.919 1.00 0.00 H new ATOM 0 HA GLN A 25 14.331 6.671 0.723 1.00 0.00 H new ATOM 0 HB2 GLN A 25 15.653 4.463 1.139 1.00 0.00 H new ATOM 0 HB3 GLN A 25 15.122 3.999 -0.465 1.00 0.00 H new ATOM 0 HG2 GLN A 25 16.170 6.071 -1.386 1.00 0.00 H new ATOM 0 HG3 GLN A 25 16.745 6.473 0.220 1.00 0.00 H new ATOM 0 HE21 GLN A 25 18.933 6.394 -0.319 1.00 0.00 H new ATOM 0 HE22 GLN A 25 19.762 4.878 -0.689 1.00 0.00 H new ATOM 342 N LEU A 26 12.755 4.749 -1.460 1.00 0.00 N ATOM 343 CA LEU A 26 12.038 4.765 -2.730 1.00 0.00 C ATOM 344 C LEU A 26 10.928 5.811 -2.715 1.00 0.00 C ATOM 345 O LEU A 26 11.010 6.828 -3.405 1.00 0.00 O ATOM 346 CB LEU A 26 11.448 3.384 -3.023 1.00 0.00 C ATOM 347 CG LEU A 26 12.428 2.211 -2.971 1.00 0.00 C ATOM 348 CD1 LEU A 26 11.679 0.894 -2.847 1.00 0.00 C ATOM 349 CD2 LEU A 26 13.320 2.206 -4.203 1.00 0.00 C ATOM 0 H LEU A 26 12.754 3.846 -0.986 1.00 0.00 H new ATOM 0 HA LEU A 26 12.747 5.025 -3.516 1.00 0.00 H new ATOM 0 HB2 LEU A 26 10.647 3.194 -2.309 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.993 3.408 -4.013 1.00 0.00 H new ATOM 0 HG LEU A 26 13.060 2.330 -2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 26 12.393 0.071 -2.812 1.00 0.00 H new ATOM 0 HD12 LEU A 26 11.084 0.898 -1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 26 11.022 0.767 -3.707 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.011 1.365 -4.149 1.00 0.00 H new ATOM 0 HD22 LEU A 26 12.704 2.113 -5.098 1.00 0.00 H new ATOM 0 HD23 LEU A 26 13.885 3.137 -4.247 1.00 0.00 H new ATOM 361 N LEU A 27 9.892 5.555 -1.925 1.00 0.00 N ATOM 362 CA LEU A 27 8.766 6.477 -1.818 1.00 0.00 C ATOM 363 C LEU A 27 9.245 7.924 -1.807 1.00 0.00 C ATOM 364 O LEU A 27 8.818 8.736 -2.629 1.00 0.00 O ATOM 365 CB LEU A 27 7.961 6.184 -0.549 1.00 0.00 C ATOM 366 CG LEU A 27 7.056 4.953 -0.597 1.00 0.00 C ATOM 367 CD1 LEU A 27 6.826 4.404 0.802 1.00 0.00 C ATOM 368 CD2 LEU A 27 5.730 5.292 -1.263 1.00 0.00 C ATOM 0 H LEU A 27 9.808 4.717 -1.349 1.00 0.00 H new ATOM 0 HA LEU A 27 8.126 6.333 -2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 27 8.658 6.065 0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.345 7.055 -0.325 1.00 0.00 H new ATOM 0 HG LEU A 27 7.552 4.184 -1.189 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.180 3.528 0.747 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.782 4.123 1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.352 5.167 1.419 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.098 4.404 -1.289 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.229 6.078 -0.697 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.912 5.637 -2.281 1.00 0.00 H new ATOM 380 N ARG A 28 10.136 8.240 -0.873 1.00 0.00 N ATOM 381 CA ARG A 28 10.674 9.591 -0.756 1.00 0.00 C ATOM 382 C ARG A 28 11.080 10.134 -2.124 1.00 0.00 C ATOM 383 O ARG A 28 10.587 11.174 -2.559 1.00 0.00 O ATOM 384 CB ARG A 28 11.879 9.602 0.187 1.00 0.00 C ATOM 385 CG ARG A 28 11.515 9.368 1.643 1.00 0.00 C ATOM 386 CD ARG A 28 12.742 9.048 2.480 1.00 0.00 C ATOM 387 NE ARG A 28 13.593 10.218 2.676 1.00 0.00 N ATOM 388 CZ ARG A 28 14.892 10.147 2.945 1.00 0.00 C ATOM 389 NH1 ARG A 28 15.487 8.966 3.048 1.00 0.00 N ATOM 390 NH2 ARG A 28 15.599 11.257 3.110 1.00 0.00 N ATOM 0 H ARG A 28 10.501 7.580 -0.186 1.00 0.00 H new ATOM 0 HA ARG A 28 9.894 10.233 -0.346 1.00 0.00 H new ATOM 0 HB2 ARG A 28 12.585 8.834 -0.130 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.390 10.561 0.099 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.022 10.254 2.043 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.801 8.547 1.713 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.428 8.662 3.450 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.317 8.260 1.994 1.00 0.00 H new ATOM 0 HE ARG A 28 13.166 11.142 2.602 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.947 8.110 2.921 1.00 0.00 H new ATOM 0 HH12 ARG A 28 16.484 8.914 3.255 1.00 0.00 H new ATOM 0 HH21 ARG A 28 15.145 12.167 3.030 1.00 0.00 H new ATOM 0 HH22 ARG A 28 16.596 11.200 3.317 1.00 0.00 H new ATOM 404 N GLN A 29 11.979 9.422 -2.795 1.00 0.00 N ATOM 405 CA GLN A 29 12.452 9.834 -4.111 1.00 0.00 C ATOM 406 C GLN A 29 11.295 10.330 -4.973 1.00 0.00 C ATOM 407 O GLN A 29 11.365 11.407 -5.566 1.00 0.00 O ATOM 408 CB GLN A 29 13.162 8.673 -4.808 1.00 0.00 C ATOM 409 CG GLN A 29 14.499 8.313 -4.181 1.00 0.00 C ATOM 410 CD GLN A 29 15.597 9.293 -4.544 1.00 0.00 C ATOM 411 OE1 GLN A 29 15.408 10.170 -5.387 1.00 0.00 O ATOM 412 NE2 GLN A 29 16.753 9.149 -3.907 1.00 0.00 N ATOM 0 H GLN A 29 12.394 8.557 -2.449 1.00 0.00 H new ATOM 0 HA GLN A 29 13.159 10.653 -3.976 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.513 7.797 -4.789 1.00 0.00 H new ATOM 0 HB3 GLN A 29 13.319 8.930 -5.856 1.00 0.00 H new ATOM 0 HG2 GLN A 29 14.390 8.280 -3.097 1.00 0.00 H new ATOM 0 HG3 GLN A 29 14.789 7.313 -4.503 1.00 0.00 H new ATOM 0 HE21 GLN A 29 16.865 8.408 -3.215 1.00 0.00 H new ATOM 0 HE22 GLN A 29 17.529 9.780 -4.109 1.00 0.00 H new ATOM 421 N LYS A 30 10.232 9.537 -5.040 1.00 0.00 N ATOM 422 CA LYS A 30 9.058 9.894 -5.828 1.00 0.00 C ATOM 423 C LYS A 30 8.591 11.309 -5.499 1.00 0.00 C ATOM 424 O LYS A 30 8.318 12.106 -6.395 1.00 0.00 O ATOM 425 CB LYS A 30 7.924 8.898 -5.573 1.00 0.00 C ATOM 426 CG LYS A 30 6.811 8.968 -6.604 1.00 0.00 C ATOM 427 CD LYS A 30 7.100 8.075 -7.798 1.00 0.00 C ATOM 428 CE LYS A 30 5.856 7.856 -8.646 1.00 0.00 C ATOM 429 NZ LYS A 30 5.413 9.111 -9.315 1.00 0.00 N ATOM 0 H LYS A 30 10.159 8.641 -4.557 1.00 0.00 H new ATOM 0 HA LYS A 30 9.334 9.858 -6.882 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.334 7.888 -5.561 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.504 9.083 -4.584 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.869 8.669 -6.144 1.00 0.00 H new ATOM 0 HG3 LYS A 30 6.689 9.998 -6.940 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.883 8.525 -8.409 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.479 7.114 -7.451 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.059 7.095 -9.399 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.051 7.475 -8.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.871 8.876 -10.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.813 9.658 -8.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.245 9.677 -9.577 1.00 0.00 H new ATOM 443 N GLY A 31 8.503 11.613 -4.208 1.00 0.00 N ATOM 444 CA GLY A 31 8.070 12.931 -3.784 1.00 0.00 C ATOM 445 C GLY A 31 6.730 13.319 -4.375 1.00 0.00 C ATOM 446 O GLY A 31 6.489 14.489 -4.671 1.00 0.00 O ATOM 0 H GLY A 31 8.724 10.970 -3.448 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.005 12.956 -2.696 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.819 13.667 -4.075 1.00 0.00 H new ATOM 450 N LYS A 32 5.854 12.335 -4.549 1.00 0.00 N ATOM 451 CA LYS A 32 4.531 12.578 -5.109 1.00 0.00 C ATOM 452 C LYS A 32 3.439 12.162 -4.127 1.00 0.00 C ATOM 453 O LYS A 32 2.954 11.033 -4.169 1.00 0.00 O ATOM 454 CB LYS A 32 4.364 11.816 -6.426 1.00 0.00 C ATOM 455 CG LYS A 32 5.036 12.491 -7.609 1.00 0.00 C ATOM 456 CD LYS A 32 4.155 13.574 -8.208 1.00 0.00 C ATOM 457 CE LYS A 32 4.546 13.877 -9.647 1.00 0.00 C ATOM 458 NZ LYS A 32 5.747 14.753 -9.723 1.00 0.00 N ATOM 0 H LYS A 32 6.037 11.361 -4.310 1.00 0.00 H new ATOM 0 HA LYS A 32 4.436 13.647 -5.300 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.774 10.813 -6.310 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.301 11.703 -6.639 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.983 12.926 -7.291 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.267 11.746 -8.371 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.112 13.258 -8.172 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.234 14.481 -7.609 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.744 12.943 -10.174 1.00 0.00 H new ATOM 0 HE3 LYS A 32 3.712 14.360 -10.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.981 14.936 -10.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.550 15.654 -9.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.550 14.282 -9.260 1.00 0.00 H new ATOM 472 N GLU A 33 3.058 13.084 -3.248 1.00 0.00 N ATOM 473 CA GLU A 33 2.024 12.811 -2.258 1.00 0.00 C ATOM 474 C GLU A 33 0.921 11.938 -2.848 1.00 0.00 C ATOM 475 O GLU A 33 0.101 12.406 -3.638 1.00 0.00 O ATOM 476 CB GLU A 33 1.430 14.121 -1.736 1.00 0.00 C ATOM 477 CG GLU A 33 0.680 14.913 -2.794 1.00 0.00 C ATOM 478 CD GLU A 33 0.628 16.396 -2.484 1.00 0.00 C ATOM 479 OE1 GLU A 33 0.124 16.760 -1.400 1.00 0.00 O ATOM 480 OE2 GLU A 33 1.091 17.195 -3.325 1.00 0.00 O ATOM 0 H GLU A 33 3.450 14.025 -3.202 1.00 0.00 H new ATOM 0 HA GLU A 33 2.483 12.272 -1.429 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.752 13.900 -0.911 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.232 14.739 -1.332 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.159 14.764 -3.762 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -0.336 14.527 -2.879 1.00 0.00 H new ATOM 487 N GLY A 34 0.909 10.667 -2.460 1.00 0.00 N ATOM 488 CA GLY A 34 -0.097 9.749 -2.961 1.00 0.00 C ATOM 489 C GLY A 34 0.485 8.399 -3.334 1.00 0.00 C ATOM 490 O GLY A 34 -0.204 7.381 -3.273 1.00 0.00 O ATOM 0 H GLY A 34 1.577 10.257 -1.808 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.869 9.612 -2.204 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.581 10.186 -3.834 1.00 0.00 H new ATOM 494 N ALA A 35 1.756 8.391 -3.723 1.00 0.00 N ATOM 495 CA ALA A 35 2.430 7.156 -4.107 1.00 0.00 C ATOM 496 C ALA A 35 2.052 6.012 -3.172 1.00 0.00 C ATOM 497 O ALA A 35 1.594 6.237 -2.052 1.00 0.00 O ATOM 498 CB ALA A 35 3.937 7.359 -4.114 1.00 0.00 C ATOM 0 H ALA A 35 2.340 9.226 -3.781 1.00 0.00 H new ATOM 0 HA ALA A 35 2.106 6.890 -5.113 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.428 6.430 -4.402 1.00 0.00 H new ATOM 0 HB2 ALA A 35 4.195 8.142 -4.827 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.269 7.651 -3.118 1.00 0.00 H new ATOM 504 N PHE A 36 2.248 4.784 -3.639 1.00 0.00 N ATOM 505 CA PHE A 36 1.927 3.604 -2.846 1.00 0.00 C ATOM 506 C PHE A 36 2.684 2.381 -3.358 1.00 0.00 C ATOM 507 O PHE A 36 3.093 2.332 -4.517 1.00 0.00 O ATOM 508 CB PHE A 36 0.421 3.335 -2.879 1.00 0.00 C ATOM 509 CG PHE A 36 -0.013 2.497 -4.047 1.00 0.00 C ATOM 510 CD1 PHE A 36 -0.257 3.078 -5.281 1.00 0.00 C ATOM 511 CD2 PHE A 36 -0.178 1.128 -3.911 1.00 0.00 C ATOM 512 CE1 PHE A 36 -0.657 2.308 -6.357 1.00 0.00 C ATOM 513 CE2 PHE A 36 -0.578 0.353 -4.984 1.00 0.00 C ATOM 514 CZ PHE A 36 -0.817 0.945 -6.208 1.00 0.00 C ATOM 0 H PHE A 36 2.628 4.580 -4.563 1.00 0.00 H new ATOM 0 HA PHE A 36 2.233 3.795 -1.817 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.129 2.835 -1.955 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -0.109 4.287 -2.908 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.133 4.144 -5.403 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.008 0.661 -2.955 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.844 2.773 -7.314 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.703 -0.713 -4.865 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.129 0.342 -7.048 1.00 0.00 H new ATOM 524 N MET A 37 2.868 1.398 -2.483 1.00 0.00 N ATOM 525 CA MET A 37 3.575 0.175 -2.847 1.00 0.00 C ATOM 526 C MET A 37 3.235 -0.957 -1.882 1.00 0.00 C ATOM 527 O MET A 37 2.815 -0.716 -0.750 1.00 0.00 O ATOM 528 CB MET A 37 5.085 0.417 -2.855 1.00 0.00 C ATOM 529 CG MET A 37 5.693 0.512 -1.464 1.00 0.00 C ATOM 530 SD MET A 37 7.227 1.459 -1.441 1.00 0.00 S ATOM 531 CE MET A 37 8.077 0.763 -2.854 1.00 0.00 C ATOM 0 H MET A 37 2.538 1.424 -1.518 1.00 0.00 H new ATOM 0 HA MET A 37 3.255 -0.116 -3.848 1.00 0.00 H new ATOM 0 HB2 MET A 37 5.571 -0.392 -3.401 1.00 0.00 H new ATOM 0 HB3 MET A 37 5.294 1.339 -3.398 1.00 0.00 H new ATOM 0 HG2 MET A 37 4.974 0.975 -0.788 1.00 0.00 H new ATOM 0 HG3 MET A 37 5.885 -0.492 -1.086 1.00 0.00 H new ATOM 0 HE1 MET A 37 8.988 1.330 -3.046 1.00 0.00 H new ATOM 0 HE2 MET A 37 8.333 -0.276 -2.649 1.00 0.00 H new ATOM 0 HE3 MET A 37 7.428 0.811 -3.729 1.00 0.00 H new ATOM 541 N VAL A 38 3.418 -2.192 -2.339 1.00 0.00 N ATOM 542 CA VAL A 38 3.131 -3.361 -1.516 1.00 0.00 C ATOM 543 C VAL A 38 4.356 -4.259 -1.391 1.00 0.00 C ATOM 544 O VAL A 38 4.843 -4.802 -2.383 1.00 0.00 O ATOM 545 CB VAL A 38 1.963 -4.181 -2.094 1.00 0.00 C ATOM 546 CG1 VAL A 38 1.649 -5.369 -1.197 1.00 0.00 C ATOM 547 CG2 VAL A 38 0.734 -3.302 -2.278 1.00 0.00 C ATOM 0 H VAL A 38 3.763 -2.409 -3.274 1.00 0.00 H new ATOM 0 HA VAL A 38 2.852 -2.993 -0.529 1.00 0.00 H new ATOM 0 HB VAL A 38 2.259 -4.562 -3.071 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.821 -5.937 -1.622 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.527 -6.010 -1.121 1.00 0.00 H new ATOM 0 HG13 VAL A 38 1.373 -5.013 -0.204 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.082 -3.898 -2.687 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.434 -2.890 -1.315 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.968 -2.488 -2.964 1.00 0.00 H new ATOM 557 N ARG A 39 4.849 -4.413 -0.166 1.00 0.00 N ATOM 558 CA ARG A 39 6.018 -5.245 0.088 1.00 0.00 C ATOM 559 C ARG A 39 5.622 -6.534 0.804 1.00 0.00 C ATOM 560 O ARG A 39 4.455 -6.742 1.130 1.00 0.00 O ATOM 561 CB ARG A 39 7.044 -4.479 0.925 1.00 0.00 C ATOM 562 CG ARG A 39 6.538 -4.092 2.305 1.00 0.00 C ATOM 563 CD ARG A 39 7.578 -3.295 3.076 1.00 0.00 C ATOM 564 NE ARG A 39 7.179 -3.075 4.464 1.00 0.00 N ATOM 565 CZ ARG A 39 7.689 -2.119 5.233 1.00 0.00 C ATOM 566 NH1 ARG A 39 8.613 -1.299 4.750 1.00 0.00 N ATOM 567 NH2 ARG A 39 7.276 -1.980 6.486 1.00 0.00 N ATOM 0 H ARG A 39 4.456 -3.972 0.666 1.00 0.00 H new ATOM 0 HA ARG A 39 6.464 -5.504 -0.872 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.940 -5.090 1.034 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.337 -3.577 0.389 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.626 -3.503 2.207 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.279 -4.991 2.864 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.531 -3.823 3.052 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.734 -2.334 2.587 1.00 0.00 H new ATOM 0 HE ARG A 39 6.470 -3.689 4.865 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.933 -1.402 3.787 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.004 -0.566 5.342 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.565 -2.608 6.861 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.669 -1.245 7.074 1.00 0.00 H new ATOM 581 N ASN A 40 6.605 -7.397 1.045 1.00 0.00 N ATOM 582 CA ASN A 40 6.359 -8.665 1.721 1.00 0.00 C ATOM 583 C ASN A 40 6.635 -8.547 3.216 1.00 0.00 C ATOM 584 O ASN A 40 7.691 -8.065 3.628 1.00 0.00 O ATOM 585 CB ASN A 40 7.232 -9.766 1.115 1.00 0.00 C ATOM 586 CG ASN A 40 6.859 -11.146 1.625 1.00 0.00 C ATOM 587 OD1 ASN A 40 7.596 -11.752 2.403 1.00 0.00 O ATOM 588 ND2 ASN A 40 5.710 -11.647 1.187 1.00 0.00 N ATOM 0 H ASN A 40 7.578 -7.241 0.782 1.00 0.00 H new ATOM 0 HA ASN A 40 5.309 -8.925 1.583 1.00 0.00 H new ATOM 0 HB2 ASN A 40 7.137 -9.745 0.029 1.00 0.00 H new ATOM 0 HB3 ASN A 40 8.278 -9.566 1.348 1.00 0.00 H new ATOM 0 HD21 ASN A 40 5.406 -12.571 1.495 1.00 0.00 H new ATOM 0 HD22 ASN A 40 5.131 -11.108 0.542 1.00 0.00 H new ATOM 595 N SER A 41 5.679 -8.992 4.025 1.00 0.00 N ATOM 596 CA SER A 41 5.817 -8.933 5.476 1.00 0.00 C ATOM 597 C SER A 41 6.940 -9.849 5.952 1.00 0.00 C ATOM 598 O SER A 41 7.475 -10.646 5.181 1.00 0.00 O ATOM 599 CB SER A 41 4.501 -9.326 6.151 1.00 0.00 C ATOM 600 OG SER A 41 3.425 -8.544 5.664 1.00 0.00 O ATOM 0 H SER A 41 4.801 -9.397 3.701 1.00 0.00 H new ATOM 0 HA SER A 41 6.066 -7.908 5.752 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.298 -10.382 5.972 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.589 -9.197 7.230 1.00 0.00 H new ATOM 0 HG SER A 41 3.611 -7.595 5.826 1.00 0.00 H new ATOM 606 N SER A 42 7.292 -9.730 7.229 1.00 0.00 N ATOM 607 CA SER A 42 8.353 -10.544 7.809 1.00 0.00 C ATOM 608 C SER A 42 8.123 -12.024 7.519 1.00 0.00 C ATOM 609 O SER A 42 8.996 -12.705 6.983 1.00 0.00 O ATOM 610 CB SER A 42 8.434 -10.314 9.318 1.00 0.00 C ATOM 611 OG SER A 42 7.273 -10.799 9.971 1.00 0.00 O ATOM 0 H SER A 42 6.857 -9.077 7.881 1.00 0.00 H new ATOM 0 HA SER A 42 9.297 -10.245 7.353 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.316 -10.814 9.718 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.551 -9.250 9.521 1.00 0.00 H new ATOM 0 HG SER A 42 7.350 -10.642 10.935 1.00 0.00 H new ATOM 617 N GLN A 43 6.940 -12.513 7.879 1.00 0.00 N ATOM 618 CA GLN A 43 6.593 -13.912 7.658 1.00 0.00 C ATOM 619 C GLN A 43 5.745 -14.072 6.402 1.00 0.00 C ATOM 620 O GLN A 43 5.286 -13.088 5.821 1.00 0.00 O ATOM 621 CB GLN A 43 5.844 -14.471 8.869 1.00 0.00 C ATOM 622 CG GLN A 43 6.736 -14.725 10.073 1.00 0.00 C ATOM 623 CD GLN A 43 7.620 -15.945 9.897 1.00 0.00 C ATOM 624 OE1 GLN A 43 8.844 -15.859 10.007 1.00 0.00 O ATOM 625 NE2 GLN A 43 7.004 -17.088 9.622 1.00 0.00 N ATOM 0 H GLN A 43 6.207 -11.961 8.324 1.00 0.00 H new ATOM 0 HA GLN A 43 7.518 -14.472 7.522 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.056 -13.773 9.152 1.00 0.00 H new ATOM 0 HB3 GLN A 43 5.357 -15.404 8.585 1.00 0.00 H new ATOM 0 HG2 GLN A 43 7.362 -13.850 10.248 1.00 0.00 H new ATOM 0 HG3 GLN A 43 6.115 -14.856 10.959 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.988 -17.113 9.540 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.547 -17.942 9.493 1.00 0.00 H new ATOM 634 N VAL A 44 5.539 -15.318 5.986 1.00 0.00 N ATOM 635 CA VAL A 44 4.745 -15.607 4.798 1.00 0.00 C ATOM 636 C VAL A 44 3.252 -15.537 5.105 1.00 0.00 C ATOM 637 O VAL A 44 2.830 -15.770 6.236 1.00 0.00 O ATOM 638 CB VAL A 44 5.076 -16.997 4.226 1.00 0.00 C ATOM 639 CG1 VAL A 44 4.934 -18.065 5.301 1.00 0.00 C ATOM 640 CG2 VAL A 44 4.185 -17.309 3.033 1.00 0.00 C ATOM 0 H VAL A 44 5.912 -16.144 6.455 1.00 0.00 H new ATOM 0 HA VAL A 44 4.997 -14.849 4.057 1.00 0.00 H new ATOM 0 HB VAL A 44 6.112 -16.993 3.886 1.00 0.00 H new ATOM 0 HG11 VAL A 44 5.172 -19.041 4.878 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.618 -17.849 6.122 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.910 -18.071 5.674 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.433 -18.296 2.642 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.141 -17.295 3.345 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.342 -16.561 2.256 1.00 0.00 H new ATOM 650 N GLY A 45 2.460 -15.215 4.088 1.00 0.00 N ATOM 651 CA GLY A 45 1.023 -15.121 4.268 1.00 0.00 C ATOM 652 C GLY A 45 0.543 -13.686 4.363 1.00 0.00 C ATOM 653 O GLY A 45 -0.163 -13.202 3.478 1.00 0.00 O ATOM 0 H GLY A 45 2.787 -15.017 3.142 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.523 -15.614 3.434 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.737 -15.657 5.173 1.00 0.00 H new ATOM 657 N MET A 46 0.924 -13.005 5.439 1.00 0.00 N ATOM 658 CA MET A 46 0.528 -11.618 5.644 1.00 0.00 C ATOM 659 C MET A 46 1.168 -10.708 4.601 1.00 0.00 C ATOM 660 O MET A 46 2.064 -11.126 3.865 1.00 0.00 O ATOM 661 CB MET A 46 0.919 -11.156 7.049 1.00 0.00 C ATOM 662 CG MET A 46 0.264 -11.963 8.159 1.00 0.00 C ATOM 663 SD MET A 46 -1.508 -12.177 7.908 1.00 0.00 S ATOM 664 CE MET A 46 -1.983 -12.922 9.466 1.00 0.00 C ATOM 0 H MET A 46 1.506 -13.392 6.182 1.00 0.00 H new ATOM 0 HA MET A 46 -0.555 -11.557 5.537 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.002 -11.220 7.155 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.648 -10.107 7.166 1.00 0.00 H new ATOM 0 HG2 MET A 46 0.739 -12.942 8.220 1.00 0.00 H new ATOM 0 HG3 MET A 46 0.434 -11.466 9.114 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.056 -13.115 9.465 1.00 0.00 H new ATOM 0 HE2 MET A 46 -1.445 -13.861 9.599 1.00 0.00 H new ATOM 0 HE3 MET A 46 -1.737 -12.244 10.283 1.00 0.00 H new ATOM 674 N TYR A 47 0.704 -9.465 4.540 1.00 0.00 N ATOM 675 CA TYR A 47 1.230 -8.499 3.584 1.00 0.00 C ATOM 676 C TYR A 47 1.200 -7.088 4.165 1.00 0.00 C ATOM 677 O TYR A 47 0.351 -6.762 4.994 1.00 0.00 O ATOM 678 CB TYR A 47 0.425 -8.544 2.285 1.00 0.00 C ATOM 679 CG TYR A 47 0.732 -9.750 1.425 1.00 0.00 C ATOM 680 CD1 TYR A 47 0.276 -11.014 1.779 1.00 0.00 C ATOM 681 CD2 TYR A 47 1.477 -9.625 0.260 1.00 0.00 C ATOM 682 CE1 TYR A 47 0.554 -12.118 0.997 1.00 0.00 C ATOM 683 CE2 TYR A 47 1.758 -10.724 -0.529 1.00 0.00 C ATOM 684 CZ TYR A 47 1.296 -11.968 -0.156 1.00 0.00 C ATOM 685 OH TYR A 47 1.574 -13.066 -0.938 1.00 0.00 O ATOM 0 H TYR A 47 -0.036 -9.103 5.142 1.00 0.00 H new ATOM 0 HA TYR A 47 2.265 -8.764 3.371 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -0.638 -8.541 2.526 1.00 0.00 H new ATOM 0 HB3 TYR A 47 0.625 -7.639 1.712 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.306 -11.135 2.681 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.843 -8.652 -0.034 1.00 0.00 H new ATOM 0 HE1 TYR A 47 0.192 -13.094 1.287 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.337 -10.609 -1.434 1.00 0.00 H new ATOM 0 HH TYR A 47 2.105 -12.789 -1.714 1.00 0.00 H new ATOM 695 N THR A 48 2.134 -6.252 3.721 1.00 0.00 N ATOM 696 CA THR A 48 2.216 -4.876 4.194 1.00 0.00 C ATOM 697 C THR A 48 2.064 -3.888 3.044 1.00 0.00 C ATOM 698 O THR A 48 2.700 -4.033 1.999 1.00 0.00 O ATOM 699 CB THR A 48 3.554 -4.608 4.911 1.00 0.00 C ATOM 700 OG1 THR A 48 3.734 -5.547 5.977 1.00 0.00 O ATOM 701 CG2 THR A 48 3.597 -3.191 5.464 1.00 0.00 C ATOM 0 H THR A 48 2.844 -6.505 3.034 1.00 0.00 H new ATOM 0 HA THR A 48 1.397 -4.736 4.900 1.00 0.00 H new ATOM 0 HB THR A 48 4.360 -4.723 4.186 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.587 -5.372 6.427 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.550 -3.025 5.966 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.488 -2.478 4.647 1.00 0.00 H new ATOM 0 HG23 THR A 48 2.784 -3.054 6.176 1.00 0.00 H new ATOM 709 N VAL A 49 1.215 -2.884 3.240 1.00 0.00 N ATOM 710 CA VAL A 49 0.980 -1.871 2.219 1.00 0.00 C ATOM 711 C VAL A 49 1.465 -0.501 2.682 1.00 0.00 C ATOM 712 O VAL A 49 0.787 0.181 3.451 1.00 0.00 O ATOM 713 CB VAL A 49 -0.514 -1.778 1.853 1.00 0.00 C ATOM 714 CG1 VAL A 49 -0.741 -0.698 0.807 1.00 0.00 C ATOM 715 CG2 VAL A 49 -1.025 -3.123 1.362 1.00 0.00 C ATOM 0 H VAL A 49 0.678 -2.751 4.097 1.00 0.00 H new ATOM 0 HA VAL A 49 1.544 -2.174 1.337 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.074 -1.506 2.748 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.802 -0.647 0.561 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.413 0.264 1.200 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.171 -0.936 -0.091 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.082 -3.040 1.108 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.462 -3.426 0.479 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.898 -3.869 2.147 1.00 0.00 H new ATOM 725 N SER A 50 2.641 -0.104 2.207 1.00 0.00 N ATOM 726 CA SER A 50 3.218 1.184 2.575 1.00 0.00 C ATOM 727 C SER A 50 2.988 2.216 1.476 1.00 0.00 C ATOM 728 O SER A 50 3.275 1.967 0.305 1.00 0.00 O ATOM 729 CB SER A 50 4.717 1.036 2.847 1.00 0.00 C ATOM 730 OG SER A 50 4.959 0.078 3.861 1.00 0.00 O ATOM 0 H SER A 50 3.213 -0.655 1.567 1.00 0.00 H new ATOM 0 HA SER A 50 2.724 1.530 3.483 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.228 0.738 1.932 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.132 1.999 3.145 1.00 0.00 H new ATOM 0 HG SER A 50 5.924 0.001 4.015 1.00 0.00 H new ATOM 736 N LEU A 51 2.468 3.376 1.862 1.00 0.00 N ATOM 737 CA LEU A 51 2.198 4.448 0.911 1.00 0.00 C ATOM 738 C LEU A 51 2.541 5.808 1.510 1.00 0.00 C ATOM 739 O LEU A 51 2.337 6.042 2.701 1.00 0.00 O ATOM 740 CB LEU A 51 0.729 4.422 0.486 1.00 0.00 C ATOM 741 CG LEU A 51 -0.269 5.016 1.481 1.00 0.00 C ATOM 742 CD1 LEU A 51 -0.434 6.509 1.245 1.00 0.00 C ATOM 743 CD2 LEU A 51 -1.610 4.305 1.380 1.00 0.00 C ATOM 0 H LEU A 51 2.225 3.598 2.827 1.00 0.00 H new ATOM 0 HA LEU A 51 2.827 4.289 0.035 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.635 4.960 -0.457 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.446 3.387 0.292 1.00 0.00 H new ATOM 0 HG LEU A 51 0.121 4.870 2.488 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.148 6.914 1.962 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.528 7.006 1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.801 6.679 0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.308 4.741 2.095 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.007 4.418 0.371 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.478 3.246 1.601 1.00 0.00 H new ATOM 755 N PHE A 52 3.064 6.702 0.677 1.00 0.00 N ATOM 756 CA PHE A 52 3.434 8.039 1.124 1.00 0.00 C ATOM 757 C PHE A 52 2.249 8.994 1.024 1.00 0.00 C ATOM 758 O PHE A 52 1.467 8.934 0.076 1.00 0.00 O ATOM 759 CB PHE A 52 4.604 8.572 0.294 1.00 0.00 C ATOM 760 CG PHE A 52 5.086 9.924 0.736 1.00 0.00 C ATOM 761 CD1 PHE A 52 5.787 10.071 1.922 1.00 0.00 C ATOM 762 CD2 PHE A 52 4.838 11.049 -0.036 1.00 0.00 C ATOM 763 CE1 PHE A 52 6.231 11.314 2.331 1.00 0.00 C ATOM 764 CE2 PHE A 52 5.281 12.293 0.368 1.00 0.00 C ATOM 765 CZ PHE A 52 5.977 12.428 1.554 1.00 0.00 C ATOM 0 H PHE A 52 3.241 6.524 -0.312 1.00 0.00 H new ATOM 0 HA PHE A 52 3.738 7.974 2.169 1.00 0.00 H new ATOM 0 HB2 PHE A 52 5.431 7.864 0.350 1.00 0.00 H new ATOM 0 HB3 PHE A 52 4.302 8.627 -0.752 1.00 0.00 H new ATOM 0 HD1 PHE A 52 5.989 9.204 2.534 1.00 0.00 H new ATOM 0 HD2 PHE A 52 4.293 10.951 -0.963 1.00 0.00 H new ATOM 0 HE1 PHE A 52 6.776 11.415 3.258 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.083 13.161 -0.243 1.00 0.00 H new ATOM 0 HZ PHE A 52 6.321 13.401 1.873 1.00 0.00 H new ATOM 775 N SER A 53 2.122 9.876 2.011 1.00 0.00 N ATOM 776 CA SER A 53 1.030 10.842 2.037 1.00 0.00 C ATOM 777 C SER A 53 1.346 11.994 2.986 1.00 0.00 C ATOM 778 O SER A 53 1.850 11.785 4.089 1.00 0.00 O ATOM 779 CB SER A 53 -0.272 10.160 2.462 1.00 0.00 C ATOM 780 OG SER A 53 -1.399 10.937 2.095 1.00 0.00 O ATOM 0 H SER A 53 2.762 9.941 2.803 1.00 0.00 H new ATOM 0 HA SER A 53 0.910 11.245 1.031 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.339 9.176 1.998 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.269 10.005 3.541 1.00 0.00 H new ATOM 0 HG SER A 53 -1.624 11.552 2.824 1.00 0.00 H new ATOM 786 N LYS A 54 1.047 13.213 2.548 1.00 0.00 N ATOM 787 CA LYS A 54 1.297 14.400 3.356 1.00 0.00 C ATOM 788 C LYS A 54 -0.008 15.113 3.693 1.00 0.00 C ATOM 789 O LYS A 54 -1.002 14.981 2.979 1.00 0.00 O ATOM 790 CB LYS A 54 2.237 15.355 2.619 1.00 0.00 C ATOM 791 CG LYS A 54 1.563 16.128 1.498 1.00 0.00 C ATOM 792 CD LYS A 54 2.359 17.364 1.116 1.00 0.00 C ATOM 793 CE LYS A 54 2.081 18.521 2.063 1.00 0.00 C ATOM 794 NZ LYS A 54 2.504 19.827 1.484 1.00 0.00 N ATOM 0 H LYS A 54 0.631 13.404 1.637 1.00 0.00 H new ATOM 0 HA LYS A 54 1.768 14.083 4.286 1.00 0.00 H new ATOM 0 HB2 LYS A 54 2.657 16.062 3.335 1.00 0.00 H new ATOM 0 HB3 LYS A 54 3.070 14.785 2.207 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.450 15.483 0.627 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.560 16.422 1.809 1.00 0.00 H new ATOM 0 HD2 LYS A 54 3.424 17.130 1.128 1.00 0.00 H new ATOM 0 HD3 LYS A 54 2.109 17.659 0.097 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.016 18.554 2.293 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.605 18.354 3.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 2.298 20.590 2.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.525 19.805 1.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.985 19.999 0.599 1.00 0.00 H new ATOM 808 N ALA A 55 0.001 15.871 4.784 1.00 0.00 N ATOM 809 CA ALA A 55 -1.181 16.610 5.213 1.00 0.00 C ATOM 810 C ALA A 55 -0.794 17.847 6.015 1.00 0.00 C ATOM 811 O ALA A 55 0.387 18.164 6.156 1.00 0.00 O ATOM 812 CB ALA A 55 -2.094 15.710 6.033 1.00 0.00 C ATOM 0 H ALA A 55 0.814 15.990 5.388 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.717 16.941 4.323 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.973 16.273 6.348 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.406 14.859 5.427 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.558 15.353 6.912 1.00 0.00 H new ATOM 818 N VAL A 56 -1.797 18.545 6.537 1.00 0.00 N ATOM 819 CA VAL A 56 -1.562 19.749 7.325 1.00 0.00 C ATOM 820 C VAL A 56 -0.848 19.422 8.630 1.00 0.00 C ATOM 821 O VAL A 56 0.110 20.094 9.012 1.00 0.00 O ATOM 822 CB VAL A 56 -2.882 20.477 7.645 1.00 0.00 C ATOM 823 CG1 VAL A 56 -2.616 21.722 8.478 1.00 0.00 C ATOM 824 CG2 VAL A 56 -3.618 20.832 6.362 1.00 0.00 C ATOM 0 H VAL A 56 -2.781 18.297 6.428 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.931 20.402 6.722 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.515 19.807 8.227 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.559 22.223 8.694 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.133 21.438 9.413 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.965 22.398 7.924 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.548 21.345 6.606 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -2.993 21.484 5.752 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.842 19.921 5.807 1.00 0.00 H new ATOM 834 N ASN A 57 -1.318 18.381 9.312 1.00 0.00 N ATOM 835 CA ASN A 57 -0.723 17.964 10.576 1.00 0.00 C ATOM 836 C ASN A 57 0.616 17.270 10.344 1.00 0.00 C ATOM 837 O ASN A 57 1.599 17.549 11.031 1.00 0.00 O ATOM 838 CB ASN A 57 -1.673 17.025 11.325 1.00 0.00 C ATOM 839 CG ASN A 57 -1.022 16.396 12.542 1.00 0.00 C ATOM 840 OD1 ASN A 57 -0.829 17.052 13.566 1.00 0.00 O ATOM 841 ND2 ASN A 57 -0.680 15.117 12.434 1.00 0.00 N ATOM 0 H ASN A 57 -2.109 17.812 9.010 1.00 0.00 H new ATOM 0 HA ASN A 57 -0.551 18.855 11.180 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.558 17.580 11.636 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.010 16.239 10.649 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.238 14.639 13.219 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.859 14.613 11.566 1.00 0.00 H new ATOM 848 N ASP A 58 0.647 16.367 9.370 1.00 0.00 N ATOM 849 CA ASP A 58 1.865 15.633 9.045 1.00 0.00 C ATOM 850 C ASP A 58 3.018 16.593 8.769 1.00 0.00 C ATOM 851 O ASP A 58 2.808 17.729 8.344 1.00 0.00 O ATOM 852 CB ASP A 58 1.635 14.731 7.832 1.00 0.00 C ATOM 853 CG ASP A 58 1.053 13.384 8.216 1.00 0.00 C ATOM 854 OD1 ASP A 58 0.183 13.347 9.111 1.00 0.00 O ATOM 855 OD2 ASP A 58 1.465 12.369 7.618 1.00 0.00 O ATOM 0 H ASP A 58 -0.158 16.126 8.791 1.00 0.00 H new ATOM 0 HA ASP A 58 2.127 15.014 9.903 1.00 0.00 H new ATOM 0 HB2 ASP A 58 0.962 15.229 7.134 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.580 14.580 7.310 1.00 0.00 H new ATOM 860 N LYS A 59 4.239 16.129 9.014 1.00 0.00 N ATOM 861 CA LYS A 59 5.428 16.944 8.791 1.00 0.00 C ATOM 862 C LYS A 59 6.098 16.579 7.471 1.00 0.00 C ATOM 863 O LYS A 59 6.561 15.453 7.288 1.00 0.00 O ATOM 864 CB LYS A 59 6.417 16.765 9.945 1.00 0.00 C ATOM 865 CG LYS A 59 7.514 17.815 9.973 1.00 0.00 C ATOM 866 CD LYS A 59 7.096 19.037 10.773 1.00 0.00 C ATOM 867 CE LYS A 59 7.112 18.758 12.268 1.00 0.00 C ATOM 868 NZ LYS A 59 8.448 19.029 12.868 1.00 0.00 N ATOM 0 H LYS A 59 4.431 15.192 9.367 1.00 0.00 H new ATOM 0 HA LYS A 59 5.119 17.988 8.744 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.872 16.796 10.888 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.872 15.777 9.872 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.418 17.387 10.407 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.760 18.113 8.954 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.767 19.866 10.550 1.00 0.00 H new ATOM 0 HD3 LYS A 59 6.096 19.346 10.470 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.361 19.375 12.761 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.838 17.718 12.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.418 18.827 13.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 9.161 18.422 12.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 8.699 20.027 12.720 1.00 0.00 H new ATOM 882 N LYS A 60 6.149 17.539 6.553 1.00 0.00 N ATOM 883 CA LYS A 60 6.767 17.322 5.251 1.00 0.00 C ATOM 884 C LYS A 60 6.460 15.921 4.732 1.00 0.00 C ATOM 885 O LYS A 60 7.277 15.312 4.042 1.00 0.00 O ATOM 886 CB LYS A 60 8.281 17.524 5.340 1.00 0.00 C ATOM 887 CG LYS A 60 8.708 18.977 5.227 1.00 0.00 C ATOM 888 CD LYS A 60 10.221 19.115 5.217 1.00 0.00 C ATOM 889 CE LYS A 60 10.659 20.492 5.691 1.00 0.00 C ATOM 890 NZ LYS A 60 11.986 20.875 5.132 1.00 0.00 N ATOM 0 H LYS A 60 5.769 18.476 6.688 1.00 0.00 H new ATOM 0 HA LYS A 60 6.351 18.049 4.554 1.00 0.00 H new ATOM 0 HB2 LYS A 60 8.638 17.122 6.288 1.00 0.00 H new ATOM 0 HB3 LYS A 60 8.763 16.950 4.549 1.00 0.00 H new ATOM 0 HG2 LYS A 60 8.297 19.408 4.314 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.296 19.544 6.061 1.00 0.00 H new ATOM 0 HD2 LYS A 60 10.661 18.351 5.858 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.597 18.940 4.209 1.00 0.00 H new ATOM 0 HE2 LYS A 60 9.914 21.231 5.397 1.00 0.00 H new ATOM 0 HE3 LYS A 60 10.707 20.503 6.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 12.249 21.820 5.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.702 20.184 5.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.934 20.889 4.093 1.00 0.00 H new ATOM 904 N GLY A 61 5.277 15.415 5.067 1.00 0.00 N ATOM 905 CA GLY A 61 4.883 14.091 4.623 1.00 0.00 C ATOM 906 C GLY A 61 5.624 12.990 5.358 1.00 0.00 C ATOM 907 O GLY A 61 6.728 13.202 5.860 1.00 0.00 O ATOM 0 H GLY A 61 4.584 15.899 5.638 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.811 13.965 4.772 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.070 13.999 3.553 1.00 0.00 H new ATOM 911 N THR A 62 5.016 11.810 5.423 1.00 0.00 N ATOM 912 CA THR A 62 5.623 10.673 6.103 1.00 0.00 C ATOM 913 C THR A 62 5.066 9.356 5.575 1.00 0.00 C ATOM 914 O THR A 62 3.856 9.199 5.421 1.00 0.00 O ATOM 915 CB THR A 62 5.394 10.742 7.625 1.00 0.00 C ATOM 916 OG1 THR A 62 5.829 12.009 8.130 1.00 0.00 O ATOM 917 CG2 THR A 62 6.141 9.623 8.336 1.00 0.00 C ATOM 0 H THR A 62 4.103 11.617 5.012 1.00 0.00 H new ATOM 0 HA THR A 62 6.693 10.718 5.902 1.00 0.00 H new ATOM 0 HB THR A 62 4.327 10.623 7.815 1.00 0.00 H new ATOM 0 HG1 THR A 62 5.678 12.045 9.098 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.964 9.692 9.409 1.00 0.00 H new ATOM 0 HG22 THR A 62 5.786 8.659 7.971 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.209 9.715 8.137 1.00 0.00 H new ATOM 925 N VAL A 63 5.959 8.410 5.302 1.00 0.00 N ATOM 926 CA VAL A 63 5.558 7.104 4.793 1.00 0.00 C ATOM 927 C VAL A 63 4.530 6.450 5.708 1.00 0.00 C ATOM 928 O VAL A 63 4.595 6.585 6.931 1.00 0.00 O ATOM 929 CB VAL A 63 6.767 6.163 4.643 1.00 0.00 C ATOM 930 CG1 VAL A 63 6.308 4.746 4.336 1.00 0.00 C ATOM 931 CG2 VAL A 63 7.708 6.673 3.561 1.00 0.00 C ATOM 0 H VAL A 63 6.965 8.524 5.425 1.00 0.00 H new ATOM 0 HA VAL A 63 5.114 7.271 3.812 1.00 0.00 H new ATOM 0 HB VAL A 63 7.310 6.146 5.588 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.177 4.096 4.234 1.00 0.00 H new ATOM 0 HG12 VAL A 63 5.678 4.384 5.148 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.740 4.741 3.406 1.00 0.00 H new ATOM 0 HG21 VAL A 63 8.557 5.996 3.468 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.177 6.721 2.610 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.065 7.668 3.828 1.00 0.00 H new ATOM 941 N LYS A 64 3.579 5.739 5.110 1.00 0.00 N ATOM 942 CA LYS A 64 2.536 5.061 5.872 1.00 0.00 C ATOM 943 C LYS A 64 2.822 3.566 5.973 1.00 0.00 C ATOM 944 O LYS A 64 3.649 3.031 5.234 1.00 0.00 O ATOM 945 CB LYS A 64 1.171 5.288 5.219 1.00 0.00 C ATOM 946 CG LYS A 64 0.862 6.750 4.947 1.00 0.00 C ATOM 947 CD LYS A 64 0.193 7.410 6.142 1.00 0.00 C ATOM 948 CE LYS A 64 1.204 7.755 7.225 1.00 0.00 C ATOM 949 NZ LYS A 64 0.789 8.952 8.009 1.00 0.00 N ATOM 0 H LYS A 64 3.509 5.617 4.100 1.00 0.00 H new ATOM 0 HA LYS A 64 2.524 5.479 6.878 1.00 0.00 H new ATOM 0 HB2 LYS A 64 1.131 4.736 4.280 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.396 4.876 5.865 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.784 7.279 4.707 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.212 6.830 4.075 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.320 8.316 5.819 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.566 6.743 6.550 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.322 6.904 7.896 1.00 0.00 H new ATOM 0 HE3 LYS A 64 2.177 7.939 6.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 1.503 9.155 8.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.701 9.770 7.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.127 8.768 8.465 1.00 0.00 H new ATOM 963 N HIS A 65 2.130 2.897 6.890 1.00 0.00 N ATOM 964 CA HIS A 65 2.308 1.462 7.085 1.00 0.00 C ATOM 965 C HIS A 65 0.996 0.804 7.501 1.00 0.00 C ATOM 966 O HIS A 65 0.422 1.140 8.537 1.00 0.00 O ATOM 967 CB HIS A 65 3.381 1.199 8.143 1.00 0.00 C ATOM 968 CG HIS A 65 4.693 1.855 7.840 1.00 0.00 C ATOM 969 ND1 HIS A 65 5.074 3.152 7.922 1.00 0.00 N flip ATOM 970 CD2 HIS A 65 5.797 1.161 7.394 1.00 0.00 C flip ATOM 971 CE1 HIS A 65 6.388 3.216 7.529 1.00 0.00 C flip ATOM 972 NE2 HIS A 65 6.801 2.002 7.215 1.00 0.00 N flip ATOM 0 H HIS A 65 1.442 3.325 7.509 1.00 0.00 H new ATOM 0 HA HIS A 65 2.628 1.028 6.138 1.00 0.00 H new ATOM 0 HB2 HIS A 65 3.022 1.553 9.109 1.00 0.00 H new ATOM 0 HB3 HIS A 65 3.534 0.124 8.234 1.00 0.00 H new ATOM 0 HD2 HIS A 65 5.836 0.096 7.218 1.00 0.00 H new ATOM 0 HE1 HIS A 65 6.987 4.114 7.484 1.00 0.00 H new ATOM 0 HE2 HIS A 65 7.736 1.755 6.890 1.00 0.00 H new ATOM 981 N TYR A 66 0.526 -0.133 6.685 1.00 0.00 N ATOM 982 CA TYR A 66 -0.719 -0.837 6.966 1.00 0.00 C ATOM 983 C TYR A 66 -0.515 -2.348 6.920 1.00 0.00 C ATOM 984 O TYR A 66 0.075 -2.878 5.978 1.00 0.00 O ATOM 985 CB TYR A 66 -1.798 -0.427 5.963 1.00 0.00 C ATOM 986 CG TYR A 66 -2.178 1.034 6.045 1.00 0.00 C ATOM 987 CD1 TYR A 66 -2.895 1.526 7.128 1.00 0.00 C ATOM 988 CD2 TYR A 66 -1.820 1.924 5.039 1.00 0.00 C ATOM 989 CE1 TYR A 66 -3.245 2.861 7.208 1.00 0.00 C ATOM 990 CE2 TYR A 66 -2.164 3.260 5.111 1.00 0.00 C ATOM 991 CZ TYR A 66 -2.876 3.724 6.197 1.00 0.00 C ATOM 992 OH TYR A 66 -3.222 5.053 6.272 1.00 0.00 O ATOM 0 H TYR A 66 0.989 -0.422 5.823 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.042 -0.563 7.971 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.447 -0.646 4.955 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -2.687 -1.035 6.130 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.184 0.853 7.922 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.263 1.565 4.186 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.804 3.226 8.057 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.877 3.938 4.321 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.885 5.524 5.481 1.00 0.00 H new ATOM 1002 N HIS A 67 -1.006 -3.037 7.946 1.00 0.00 N ATOM 1003 CA HIS A 67 -0.879 -4.488 8.023 1.00 0.00 C ATOM 1004 C HIS A 67 -2.160 -5.171 7.553 1.00 0.00 C ATOM 1005 O HIS A 67 -3.230 -4.967 8.125 1.00 0.00 O ATOM 1006 CB HIS A 67 -0.554 -4.916 9.454 1.00 0.00 C ATOM 1007 CG HIS A 67 0.163 -6.229 9.538 1.00 0.00 C ATOM 1008 ND1 HIS A 67 1.251 -6.442 10.359 1.00 0.00 N ATOM 1009 CD2 HIS A 67 -0.060 -7.401 8.899 1.00 0.00 C ATOM 1010 CE1 HIS A 67 1.667 -7.687 10.219 1.00 0.00 C ATOM 1011 NE2 HIS A 67 0.889 -8.291 9.340 1.00 0.00 N ATOM 0 H HIS A 67 -1.495 -2.614 8.735 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.064 -4.793 7.366 1.00 0.00 H new ATOM 0 HB2 HIS A 67 0.058 -4.146 9.925 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -1.480 -4.980 10.025 1.00 0.00 H new ATOM 0 HD1 HIS A 67 1.669 -5.746 10.977 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -0.839 -7.599 8.177 1.00 0.00 H new ATOM 0 HE1 HIS A 67 2.502 -8.136 10.736 1.00 0.00 H new ATOM 1020 N VAL A 68 -2.042 -5.982 6.507 1.00 0.00 N ATOM 1021 CA VAL A 68 -3.190 -6.696 5.959 1.00 0.00 C ATOM 1022 C VAL A 68 -3.721 -7.724 6.952 1.00 0.00 C ATOM 1023 O VAL A 68 -3.147 -8.802 7.113 1.00 0.00 O ATOM 1024 CB VAL A 68 -2.831 -7.408 4.642 1.00 0.00 C ATOM 1025 CG1 VAL A 68 -4.033 -8.170 4.103 1.00 0.00 C ATOM 1026 CG2 VAL A 68 -2.320 -6.407 3.617 1.00 0.00 C ATOM 0 H VAL A 68 -1.163 -6.161 6.022 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.962 -5.952 5.762 1.00 0.00 H new ATOM 0 HB VAL A 68 -2.035 -8.126 4.842 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.761 -8.667 3.172 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.349 -8.915 4.833 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.851 -7.474 3.917 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.071 -6.928 2.692 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.092 -5.664 3.418 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.430 -5.911 4.005 1.00 0.00 H new ATOM 1036 N HIS A 69 -4.822 -7.384 7.615 1.00 0.00 N ATOM 1037 CA HIS A 69 -5.433 -8.279 8.592 1.00 0.00 C ATOM 1038 C HIS A 69 -6.310 -9.319 7.902 1.00 0.00 C ATOM 1039 O HIS A 69 -6.439 -9.325 6.678 1.00 0.00 O ATOM 1040 CB HIS A 69 -6.263 -7.480 9.597 1.00 0.00 C ATOM 1041 CG HIS A 69 -5.459 -6.494 10.389 1.00 0.00 C ATOM 1042 ND1 HIS A 69 -4.455 -6.866 11.257 1.00 0.00 N ATOM 1043 CD2 HIS A 69 -5.517 -5.142 10.438 1.00 0.00 C ATOM 1044 CE1 HIS A 69 -3.930 -5.786 11.807 1.00 0.00 C ATOM 1045 NE2 HIS A 69 -4.556 -4.726 11.327 1.00 0.00 N ATOM 0 H HIS A 69 -5.309 -6.496 7.494 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.635 -8.798 9.123 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.051 -6.949 9.064 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -6.752 -8.172 10.283 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -6.193 -4.509 9.882 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -3.125 -5.772 12.527 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -4.358 -3.757 11.576 1.00 0.00 H new ATOM 1054 N THR A 70 -6.912 -10.199 8.697 1.00 0.00 N ATOM 1055 CA THR A 70 -7.774 -11.245 8.163 1.00 0.00 C ATOM 1056 C THR A 70 -9.106 -11.290 8.903 1.00 0.00 C ATOM 1057 O THR A 70 -9.152 -11.162 10.125 1.00 0.00 O ATOM 1058 CB THR A 70 -7.103 -12.629 8.253 1.00 0.00 C ATOM 1059 OG1 THR A 70 -5.787 -12.572 7.693 1.00 0.00 O ATOM 1060 CG2 THR A 70 -7.926 -13.678 7.524 1.00 0.00 C ATOM 0 H THR A 70 -6.818 -10.207 9.713 1.00 0.00 H new ATOM 0 HA THR A 70 -7.951 -11.003 7.115 1.00 0.00 H new ATOM 0 HB THR A 70 -7.038 -12.909 9.304 1.00 0.00 H new ATOM 0 HG1 THR A 70 -5.366 -13.455 7.755 1.00 0.00 H new ATOM 0 HG21 THR A 70 -7.432 -14.647 7.602 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.917 -13.739 7.973 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.020 -13.402 6.474 1.00 0.00 H new ATOM 1068 N ASN A 71 -10.189 -11.473 8.154 1.00 0.00 N ATOM 1069 CA ASN A 71 -11.523 -11.534 8.740 1.00 0.00 C ATOM 1070 C ASN A 71 -11.932 -12.979 9.010 1.00 0.00 C ATOM 1071 O ASN A 71 -11.210 -13.914 8.664 1.00 0.00 O ATOM 1072 CB ASN A 71 -12.541 -10.870 7.812 1.00 0.00 C ATOM 1073 CG ASN A 71 -13.855 -10.576 8.511 1.00 0.00 C ATOM 1074 OD1 ASN A 71 -13.896 -10.391 9.727 1.00 0.00 O ATOM 1075 ND2 ASN A 71 -14.937 -10.531 7.742 1.00 0.00 N ATOM 0 H ASN A 71 -10.169 -11.582 7.140 1.00 0.00 H new ATOM 0 HA ASN A 71 -11.501 -10.997 9.688 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -12.123 -9.941 7.424 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -12.725 -11.519 6.956 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -15.849 -10.337 8.156 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -14.856 -10.691 6.738 1.00 0.00 H new ATOM 1082 N ALA A 72 -13.095 -13.153 9.629 1.00 0.00 N ATOM 1083 CA ALA A 72 -13.601 -14.484 9.944 1.00 0.00 C ATOM 1084 C ALA A 72 -13.633 -15.367 8.701 1.00 0.00 C ATOM 1085 O ALA A 72 -13.357 -16.564 8.773 1.00 0.00 O ATOM 1086 CB ALA A 72 -14.989 -14.387 10.561 1.00 0.00 C ATOM 0 H ALA A 72 -13.704 -12.390 9.922 1.00 0.00 H new ATOM 0 HA ALA A 72 -12.925 -14.942 10.666 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -15.355 -15.387 10.791 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -14.940 -13.799 11.477 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -15.667 -13.905 9.857 1.00 0.00 H new ATOM 1092 N GLU A 73 -13.971 -14.768 7.564 1.00 0.00 N ATOM 1093 CA GLU A 73 -14.041 -15.503 6.305 1.00 0.00 C ATOM 1094 C GLU A 73 -12.699 -15.464 5.580 1.00 0.00 C ATOM 1095 O GLU A 73 -12.647 -15.450 4.350 1.00 0.00 O ATOM 1096 CB GLU A 73 -15.136 -14.921 5.409 1.00 0.00 C ATOM 1097 CG GLU A 73 -16.520 -15.472 5.703 1.00 0.00 C ATOM 1098 CD GLU A 73 -17.595 -14.841 4.839 1.00 0.00 C ATOM 1099 OE1 GLU A 73 -17.829 -15.344 3.721 1.00 0.00 O ATOM 1100 OE2 GLU A 73 -18.202 -13.844 5.284 1.00 0.00 O ATOM 0 H GLU A 73 -14.201 -13.777 7.488 1.00 0.00 H new ATOM 0 HA GLU A 73 -14.283 -16.541 6.531 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.153 -13.838 5.528 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -14.887 -15.124 4.367 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -16.519 -16.550 5.545 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -16.758 -15.304 6.753 1.00 0.00 H new ATOM 1107 N ASN A 74 -11.615 -15.448 6.350 1.00 0.00 N ATOM 1108 CA ASN A 74 -10.274 -15.409 5.780 1.00 0.00 C ATOM 1109 C ASN A 74 -10.146 -14.280 4.762 1.00 0.00 C ATOM 1110 O ASN A 74 -9.347 -14.357 3.830 1.00 0.00 O ATOM 1111 CB ASN A 74 -9.940 -16.748 5.118 1.00 0.00 C ATOM 1112 CG ASN A 74 -10.266 -17.931 6.009 1.00 0.00 C ATOM 1113 OD1 ASN A 74 -9.461 -18.328 6.852 1.00 0.00 O ATOM 1114 ND2 ASN A 74 -11.452 -18.501 5.827 1.00 0.00 N ATOM 0 H ASN A 74 -11.640 -15.461 7.370 1.00 0.00 H new ATOM 0 HA ASN A 74 -9.568 -15.224 6.590 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -10.495 -16.837 4.184 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.880 -16.770 4.863 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.727 -19.301 6.398 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -12.088 -18.139 5.117 1.00 0.00 H new ATOM 1121 N LYS A 75 -10.940 -13.231 4.949 1.00 0.00 N ATOM 1122 CA LYS A 75 -10.916 -12.084 4.050 1.00 0.00 C ATOM 1123 C LYS A 75 -9.842 -11.085 4.470 1.00 0.00 C ATOM 1124 O LYS A 75 -9.848 -10.592 5.599 1.00 0.00 O ATOM 1125 CB LYS A 75 -12.284 -11.399 4.026 1.00 0.00 C ATOM 1126 CG LYS A 75 -13.407 -12.299 3.540 1.00 0.00 C ATOM 1127 CD LYS A 75 -14.623 -11.493 3.115 1.00 0.00 C ATOM 1128 CE LYS A 75 -15.908 -12.289 3.292 1.00 0.00 C ATOM 1129 NZ LYS A 75 -16.994 -11.794 2.401 1.00 0.00 N ATOM 0 H LYS A 75 -11.608 -13.152 5.716 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.680 -12.444 3.049 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.522 -11.046 5.029 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.230 -10.520 3.383 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -13.056 -12.900 2.701 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -13.688 -12.992 4.333 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -14.677 -10.577 3.703 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -14.518 -11.197 2.071 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -15.716 -13.341 3.080 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -16.234 -12.227 4.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -17.852 -12.362 2.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -17.195 -10.797 2.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -16.694 -11.877 1.409 1.00 0.00 H new ATOM 1143 N LEU A 76 -8.926 -10.789 3.556 1.00 0.00 N ATOM 1144 CA LEU A 76 -7.846 -9.848 3.832 1.00 0.00 C ATOM 1145 C LEU A 76 -8.308 -8.411 3.611 1.00 0.00 C ATOM 1146 O LEU A 76 -9.145 -8.142 2.750 1.00 0.00 O ATOM 1147 CB LEU A 76 -6.639 -10.150 2.943 1.00 0.00 C ATOM 1148 CG LEU A 76 -6.293 -11.628 2.761 1.00 0.00 C ATOM 1149 CD1 LEU A 76 -5.640 -11.861 1.407 1.00 0.00 C ATOM 1150 CD2 LEU A 76 -5.381 -12.104 3.883 1.00 0.00 C ATOM 0 H LEU A 76 -8.909 -11.187 2.617 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.556 -9.961 4.877 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.820 -9.716 1.960 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.769 -9.643 3.361 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.217 -12.205 2.800 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.401 -12.919 1.296 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.326 -11.559 0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.725 -11.273 1.338 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.145 -13.158 3.738 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.460 -11.521 3.875 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.884 -11.974 4.841 1.00 0.00 H new ATOM 1162 N TYR A 77 -7.755 -7.490 4.393 1.00 0.00 N ATOM 1163 CA TYR A 77 -8.109 -6.080 4.283 1.00 0.00 C ATOM 1164 C TYR A 77 -7.216 -5.222 5.173 1.00 0.00 C ATOM 1165 O TYR A 77 -6.408 -5.740 5.945 1.00 0.00 O ATOM 1166 CB TYR A 77 -9.577 -5.871 4.661 1.00 0.00 C ATOM 1167 CG TYR A 77 -9.888 -6.222 6.098 1.00 0.00 C ATOM 1168 CD1 TYR A 77 -10.019 -7.547 6.497 1.00 0.00 C ATOM 1169 CD2 TYR A 77 -10.051 -5.231 7.057 1.00 0.00 C ATOM 1170 CE1 TYR A 77 -10.305 -7.873 7.809 1.00 0.00 C ATOM 1171 CE2 TYR A 77 -10.334 -5.547 8.371 1.00 0.00 C ATOM 1172 CZ TYR A 77 -10.459 -6.870 8.742 1.00 0.00 C ATOM 1173 OH TYR A 77 -10.744 -7.190 10.051 1.00 0.00 O ATOM 0 H TYR A 77 -7.059 -7.695 5.110 1.00 0.00 H new ATOM 0 HA TYR A 77 -7.959 -5.774 3.248 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -9.844 -4.829 4.484 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -10.202 -6.476 4.004 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.895 -8.335 5.769 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.955 -4.194 6.770 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.407 -8.908 8.102 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -10.457 -4.763 9.104 1.00 0.00 H new ATOM 0 HH TYR A 77 -10.820 -6.368 10.580 1.00 0.00 H new ATOM 1183 N LEU A 78 -7.367 -3.907 5.059 1.00 0.00 N ATOM 1184 CA LEU A 78 -6.575 -2.975 5.855 1.00 0.00 C ATOM 1185 C LEU A 78 -7.472 -2.124 6.749 1.00 0.00 C ATOM 1186 O LEU A 78 -7.003 -1.502 7.701 1.00 0.00 O ATOM 1187 CB LEU A 78 -5.744 -2.072 4.941 1.00 0.00 C ATOM 1188 CG LEU A 78 -4.757 -2.783 4.014 1.00 0.00 C ATOM 1189 CD1 LEU A 78 -4.309 -1.853 2.898 1.00 0.00 C ATOM 1190 CD2 LEU A 78 -3.558 -3.291 4.802 1.00 0.00 C ATOM 0 H LEU A 78 -8.030 -3.462 4.424 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.905 -3.555 6.490 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.426 -1.482 4.329 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -5.187 -1.372 5.564 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.261 -3.639 3.565 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.607 -2.376 2.248 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.176 -1.538 2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -3.822 -0.977 3.327 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -2.866 -3.794 4.127 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.053 -2.451 5.279 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.895 -3.992 5.565 1.00 0.00 H new ATOM 1202 N ALA A 79 -8.764 -2.105 6.437 1.00 0.00 N ATOM 1203 CA ALA A 79 -9.726 -1.334 7.214 1.00 0.00 C ATOM 1204 C ALA A 79 -11.018 -2.118 7.420 1.00 0.00 C ATOM 1205 O ALA A 79 -11.714 -2.447 6.459 1.00 0.00 O ATOM 1206 CB ALA A 79 -10.014 -0.006 6.531 1.00 0.00 C ATOM 0 H ALA A 79 -9.168 -2.615 5.651 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.291 -1.138 8.194 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.734 0.559 7.123 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.090 0.565 6.442 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.425 -0.189 5.538 1.00 0.00 H new ATOM 1212 N GLU A 80 -11.333 -2.411 8.678 1.00 0.00 N ATOM 1213 CA GLU A 80 -12.542 -3.157 9.007 1.00 0.00 C ATOM 1214 C GLU A 80 -13.748 -2.596 8.259 1.00 0.00 C ATOM 1215 O GLU A 80 -14.719 -3.307 8.003 1.00 0.00 O ATOM 1216 CB GLU A 80 -12.799 -3.116 10.515 1.00 0.00 C ATOM 1217 CG GLU A 80 -12.810 -1.710 11.091 1.00 0.00 C ATOM 1218 CD GLU A 80 -14.178 -1.060 11.015 1.00 0.00 C ATOM 1219 OE1 GLU A 80 -15.009 -1.517 10.204 1.00 0.00 O ATOM 1220 OE2 GLU A 80 -14.416 -0.091 11.767 1.00 0.00 O ATOM 0 H GLU A 80 -10.769 -2.144 9.485 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.394 -4.192 8.699 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.756 -3.594 10.725 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -12.032 -3.702 11.022 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.485 -1.745 12.131 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -12.089 -1.095 10.552 1.00 0.00 H new ATOM 1227 N ASN A 81 -13.679 -1.315 7.911 1.00 0.00 N ATOM 1228 CA ASN A 81 -14.765 -0.658 7.194 1.00 0.00 C ATOM 1229 C ASN A 81 -14.981 -1.300 5.826 1.00 0.00 C ATOM 1230 O ASN A 81 -16.116 -1.464 5.378 1.00 0.00 O ATOM 1231 CB ASN A 81 -14.464 0.833 7.027 1.00 0.00 C ATOM 1232 CG ASN A 81 -14.604 1.599 8.329 1.00 0.00 C ATOM 1233 OD1 ASN A 81 -14.785 1.008 9.394 1.00 0.00 O ATOM 1234 ND2 ASN A 81 -14.520 2.922 8.248 1.00 0.00 N ATOM 0 H ASN A 81 -12.882 -0.712 8.114 1.00 0.00 H new ATOM 0 HA ASN A 81 -15.677 -0.776 7.779 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -13.451 0.956 6.643 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -15.140 1.257 6.284 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -14.606 3.491 9.090 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -14.369 3.369 7.344 1.00 0.00 H new ATOM 1241 N TYR A 82 -13.884 -1.662 5.170 1.00 0.00 N ATOM 1242 CA TYR A 82 -13.953 -2.285 3.853 1.00 0.00 C ATOM 1243 C TYR A 82 -13.478 -3.733 3.910 1.00 0.00 C ATOM 1244 O TYR A 82 -13.075 -4.224 4.964 1.00 0.00 O ATOM 1245 CB TYR A 82 -13.108 -1.498 2.849 1.00 0.00 C ATOM 1246 CG TYR A 82 -13.824 -0.302 2.261 1.00 0.00 C ATOM 1247 CD1 TYR A 82 -13.843 0.917 2.926 1.00 0.00 C ATOM 1248 CD2 TYR A 82 -14.481 -0.393 1.040 1.00 0.00 C ATOM 1249 CE1 TYR A 82 -14.496 2.011 2.393 1.00 0.00 C ATOM 1250 CE2 TYR A 82 -15.135 0.697 0.497 1.00 0.00 C ATOM 1251 CZ TYR A 82 -15.140 1.896 1.179 1.00 0.00 C ATOM 1252 OH TYR A 82 -15.791 2.985 0.643 1.00 0.00 O ATOM 0 H TYR A 82 -12.937 -1.535 5.528 1.00 0.00 H new ATOM 0 HA TYR A 82 -14.994 -2.276 3.528 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -12.196 -1.159 3.341 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -12.806 -2.164 2.041 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -13.338 1.011 3.876 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -14.481 -1.332 0.506 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -14.502 2.951 2.924 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -15.639 0.610 -0.455 1.00 0.00 H new ATOM 0 HH TYR A 82 -16.192 2.736 -0.216 1.00 0.00 H new ATOM 1262 N CYS A 83 -13.528 -4.410 2.768 1.00 0.00 N ATOM 1263 CA CYS A 83 -13.103 -5.803 2.686 1.00 0.00 C ATOM 1264 C CYS A 83 -12.720 -6.171 1.256 1.00 0.00 C ATOM 1265 O CYS A 83 -13.161 -5.534 0.299 1.00 0.00 O ATOM 1266 CB CYS A 83 -14.216 -6.728 3.182 1.00 0.00 C ATOM 1267 SG CYS A 83 -15.587 -6.923 2.020 1.00 0.00 S ATOM 0 H CYS A 83 -13.858 -4.017 1.887 1.00 0.00 H new ATOM 0 HA CYS A 83 -12.226 -5.928 3.322 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -13.791 -7.709 3.394 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -14.604 -6.339 4.123 1.00 0.00 H new ATOM 0 HG CYS A 83 -16.476 -7.724 2.528 1.00 0.00 H new ATOM 1273 N PHE A 84 -11.893 -7.202 1.118 1.00 0.00 N ATOM 1274 CA PHE A 84 -11.447 -7.653 -0.196 1.00 0.00 C ATOM 1275 C PHE A 84 -11.279 -9.170 -0.221 1.00 0.00 C ATOM 1276 O PHE A 84 -11.599 -9.857 0.749 1.00 0.00 O ATOM 1277 CB PHE A 84 -10.126 -6.976 -0.570 1.00 0.00 C ATOM 1278 CG PHE A 84 -10.069 -5.524 -0.193 1.00 0.00 C ATOM 1279 CD1 PHE A 84 -9.628 -5.136 1.062 1.00 0.00 C ATOM 1280 CD2 PHE A 84 -10.456 -4.545 -1.095 1.00 0.00 C ATOM 1281 CE1 PHE A 84 -9.577 -3.800 1.411 1.00 0.00 C ATOM 1282 CE2 PHE A 84 -10.406 -3.208 -0.751 1.00 0.00 C ATOM 1283 CZ PHE A 84 -9.963 -2.834 0.502 1.00 0.00 C ATOM 0 H PHE A 84 -11.518 -7.741 1.899 1.00 0.00 H new ATOM 0 HA PHE A 84 -12.208 -7.377 -0.926 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -9.306 -7.502 -0.081 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -9.970 -7.071 -1.645 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -9.321 -5.886 1.775 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -10.801 -4.831 -2.078 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -9.236 -3.511 2.394 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -10.713 -2.455 -1.462 1.00 0.00 H new ATOM 0 HZ PHE A 84 -9.918 -1.789 0.771 1.00 0.00 H new ATOM 1293 N ASP A 85 -10.777 -9.685 -1.338 1.00 0.00 N ATOM 1294 CA ASP A 85 -10.566 -11.119 -1.491 1.00 0.00 C ATOM 1295 C ASP A 85 -9.078 -11.453 -1.492 1.00 0.00 C ATOM 1296 O ASP A 85 -8.615 -12.275 -0.702 1.00 0.00 O ATOM 1297 CB ASP A 85 -11.213 -11.616 -2.784 1.00 0.00 C ATOM 1298 CG ASP A 85 -10.681 -12.969 -3.216 1.00 0.00 C ATOM 1299 OD1 ASP A 85 -10.960 -13.966 -2.517 1.00 0.00 O ATOM 1300 OD2 ASP A 85 -9.989 -13.030 -4.253 1.00 0.00 O ATOM 0 H ASP A 85 -10.509 -9.130 -2.151 1.00 0.00 H new ATOM 0 HA ASP A 85 -11.032 -11.622 -0.644 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.292 -11.681 -2.645 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.037 -10.890 -3.577 1.00 0.00 H new ATOM 1305 N SER A 86 -8.333 -10.810 -2.385 1.00 0.00 N ATOM 1306 CA SER A 86 -6.897 -11.042 -2.492 1.00 0.00 C ATOM 1307 C SER A 86 -6.120 -9.746 -2.279 1.00 0.00 C ATOM 1308 O SER A 86 -6.705 -8.668 -2.180 1.00 0.00 O ATOM 1309 CB SER A 86 -6.556 -11.635 -3.861 1.00 0.00 C ATOM 1310 OG SER A 86 -7.491 -12.633 -4.231 1.00 0.00 O ATOM 0 H SER A 86 -8.700 -10.124 -3.045 1.00 0.00 H new ATOM 0 HA SER A 86 -6.609 -11.750 -1.715 1.00 0.00 H new ATOM 0 HB2 SER A 86 -6.547 -10.844 -4.611 1.00 0.00 H new ATOM 0 HB3 SER A 86 -5.554 -12.062 -3.836 1.00 0.00 H new ATOM 0 HG SER A 86 -8.384 -12.235 -4.301 1.00 0.00 H new ATOM 1316 N ILE A 87 -4.798 -9.862 -2.209 1.00 0.00 N ATOM 1317 CA ILE A 87 -3.940 -8.700 -2.009 1.00 0.00 C ATOM 1318 C ILE A 87 -4.023 -7.744 -3.193 1.00 0.00 C ATOM 1319 O ILE A 87 -4.330 -6.561 -3.049 1.00 0.00 O ATOM 1320 CB ILE A 87 -2.472 -9.115 -1.799 1.00 0.00 C ATOM 1321 CG1 ILE A 87 -2.198 -9.372 -0.316 1.00 0.00 C ATOM 1322 CG2 ILE A 87 -1.536 -8.042 -2.336 1.00 0.00 C ATOM 1323 CD1 ILE A 87 -2.608 -10.754 0.143 1.00 0.00 C ATOM 0 H ILE A 87 -4.298 -10.748 -2.288 1.00 0.00 H new ATOM 0 HA ILE A 87 -4.298 -8.194 -1.112 1.00 0.00 H new ATOM 0 HB ILE A 87 -2.290 -10.038 -2.349 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.134 -9.234 -0.122 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -2.729 -8.628 0.278 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -0.502 -8.350 -2.180 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -1.716 -7.902 -3.402 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -1.718 -7.104 -1.811 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.385 -10.866 1.204 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -3.677 -10.889 -0.019 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.058 -11.504 -0.425 1.00 0.00 H new ATOM 1335 N PRO A 88 -3.744 -8.269 -4.396 1.00 0.00 N ATOM 1336 CA PRO A 88 -3.782 -7.480 -5.632 1.00 0.00 C ATOM 1337 C PRO A 88 -5.203 -7.085 -6.023 1.00 0.00 C ATOM 1338 O PRO A 88 -5.408 -6.330 -6.974 1.00 0.00 O ATOM 1339 CB PRO A 88 -3.184 -8.426 -6.675 1.00 0.00 C ATOM 1340 CG PRO A 88 -3.442 -9.791 -6.141 1.00 0.00 C ATOM 1341 CD PRO A 88 -3.372 -9.671 -4.643 1.00 0.00 C ATOM 0 HA PRO A 88 -3.242 -6.538 -5.532 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -3.652 -8.287 -7.650 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -2.117 -8.247 -6.806 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -4.419 -10.156 -6.458 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.702 -10.501 -6.510 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -4.058 -10.361 -4.152 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.373 -9.894 -4.268 1.00 0.00 H new ATOM 1349 N LYS A 89 -6.180 -7.600 -5.284 1.00 0.00 N ATOM 1350 CA LYS A 89 -7.581 -7.299 -5.553 1.00 0.00 C ATOM 1351 C LYS A 89 -8.041 -6.085 -4.753 1.00 0.00 C ATOM 1352 O LYS A 89 -8.997 -5.406 -5.130 1.00 0.00 O ATOM 1353 CB LYS A 89 -8.457 -8.508 -5.213 1.00 0.00 C ATOM 1354 CG LYS A 89 -9.708 -8.611 -6.067 1.00 0.00 C ATOM 1355 CD LYS A 89 -10.146 -10.056 -6.245 1.00 0.00 C ATOM 1356 CE LYS A 89 -9.502 -10.686 -7.471 1.00 0.00 C ATOM 1357 NZ LYS A 89 -10.030 -10.105 -8.736 1.00 0.00 N ATOM 0 H LYS A 89 -6.027 -8.228 -4.495 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.680 -7.071 -6.614 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -7.869 -9.418 -5.334 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -8.747 -8.453 -4.164 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -10.513 -8.040 -5.604 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.521 -8.164 -7.043 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -9.880 -10.630 -5.357 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.231 -10.100 -6.340 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.422 -10.542 -7.428 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -9.681 -11.761 -7.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.888 -10.780 -9.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -11.046 -9.908 -8.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -9.526 -9.221 -8.949 1.00 0.00 H new ATOM 1371 N LEU A 90 -7.353 -5.816 -3.649 1.00 0.00 N ATOM 1372 CA LEU A 90 -7.691 -4.681 -2.796 1.00 0.00 C ATOM 1373 C LEU A 90 -7.172 -3.377 -3.393 1.00 0.00 C ATOM 1374 O LEU A 90 -7.844 -2.347 -3.338 1.00 0.00 O ATOM 1375 CB LEU A 90 -7.107 -4.880 -1.395 1.00 0.00 C ATOM 1376 CG LEU A 90 -6.917 -3.612 -0.561 1.00 0.00 C ATOM 1377 CD1 LEU A 90 -6.792 -3.958 0.914 1.00 0.00 C ATOM 1378 CD2 LEU A 90 -5.694 -2.841 -1.036 1.00 0.00 C ATOM 0 H LEU A 90 -6.559 -6.367 -3.323 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.777 -4.621 -2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.758 -5.559 -0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.141 -5.375 -1.493 1.00 0.00 H new ATOM 0 HG LEU A 90 -7.794 -2.978 -0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.657 -3.044 1.492 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -7.697 -4.467 1.246 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.932 -4.611 1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.574 -1.942 -0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.807 -3.467 -0.935 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.824 -2.561 -2.081 1.00 0.00 H new ATOM 1390 N ILE A 91 -5.975 -3.430 -3.968 1.00 0.00 N ATOM 1391 CA ILE A 91 -5.368 -2.255 -4.580 1.00 0.00 C ATOM 1392 C ILE A 91 -6.064 -1.896 -5.889 1.00 0.00 C ATOM 1393 O ILE A 91 -6.005 -0.753 -6.342 1.00 0.00 O ATOM 1394 CB ILE A 91 -3.868 -2.472 -4.851 1.00 0.00 C ATOM 1395 CG1 ILE A 91 -3.195 -3.113 -3.635 1.00 0.00 C ATOM 1396 CG2 ILE A 91 -3.196 -1.152 -5.199 1.00 0.00 C ATOM 1397 CD1 ILE A 91 -3.188 -2.226 -2.410 1.00 0.00 C ATOM 0 H ILE A 91 -5.406 -4.275 -4.023 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.485 -1.434 -3.872 1.00 0.00 H new ATOM 0 HB ILE A 91 -3.762 -3.147 -5.700 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -3.707 -4.045 -3.396 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.168 -3.371 -3.893 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.136 -1.322 -5.388 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -3.661 -0.731 -6.091 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.309 -0.456 -4.368 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.695 -2.745 -1.588 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.650 -1.304 -2.631 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -4.213 -1.989 -2.127 1.00 0.00 H new ATOM 1409 N HIS A 92 -6.723 -2.880 -6.491 1.00 0.00 N ATOM 1410 CA HIS A 92 -7.433 -2.667 -7.748 1.00 0.00 C ATOM 1411 C HIS A 92 -8.771 -1.975 -7.505 1.00 0.00 C ATOM 1412 O HIS A 92 -9.379 -1.436 -8.431 1.00 0.00 O ATOM 1413 CB HIS A 92 -7.657 -4.000 -8.463 1.00 0.00 C ATOM 1414 CG HIS A 92 -6.554 -4.364 -9.410 1.00 0.00 C ATOM 1415 ND1 HIS A 92 -5.672 -3.589 -10.082 1.00 0.00 N flip ATOM 1416 CD2 HIS A 92 -6.262 -5.666 -9.759 1.00 0.00 C flip ATOM 1417 CE1 HIS A 92 -4.871 -4.426 -10.817 1.00 0.00 C flip ATOM 1418 NE2 HIS A 92 -5.247 -5.675 -10.604 1.00 0.00 N flip ATOM 0 H HIS A 92 -6.781 -3.832 -6.130 1.00 0.00 H new ATOM 0 HA HIS A 92 -6.820 -2.023 -8.379 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -7.761 -4.789 -7.719 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -8.597 -3.955 -9.013 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -6.782 -6.541 -9.398 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -4.064 -4.115 -11.464 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -4.825 -6.505 -11.021 1.00 0.00 H new ATOM 1427 N TYR A 93 -9.224 -1.996 -6.257 1.00 0.00 N ATOM 1428 CA TYR A 93 -10.492 -1.373 -5.895 1.00 0.00 C ATOM 1429 C TYR A 93 -10.273 0.041 -5.364 1.00 0.00 C ATOM 1430 O TYR A 93 -11.130 0.912 -5.513 1.00 0.00 O ATOM 1431 CB TYR A 93 -11.217 -2.217 -4.845 1.00 0.00 C ATOM 1432 CG TYR A 93 -12.605 -1.715 -4.517 1.00 0.00 C ATOM 1433 CD1 TYR A 93 -13.659 -1.903 -5.402 1.00 0.00 C ATOM 1434 CD2 TYR A 93 -12.862 -1.052 -3.323 1.00 0.00 C ATOM 1435 CE1 TYR A 93 -14.930 -1.446 -5.108 1.00 0.00 C ATOM 1436 CE2 TYR A 93 -14.129 -0.593 -3.021 1.00 0.00 C ATOM 1437 CZ TYR A 93 -15.160 -0.792 -3.915 1.00 0.00 C ATOM 1438 OH TYR A 93 -16.423 -0.334 -3.618 1.00 0.00 O ATOM 0 H TYR A 93 -8.733 -2.437 -5.479 1.00 0.00 H new ATOM 0 HA TYR A 93 -11.108 -1.313 -6.793 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -11.286 -3.245 -5.202 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -10.622 -2.236 -3.932 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -13.482 -2.415 -6.336 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -12.058 -0.893 -2.620 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -15.738 -1.600 -5.808 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -14.312 -0.080 -2.088 1.00 0.00 H new ATOM 0 HH TYR A 93 -16.415 0.102 -2.741 1.00 0.00 H new ATOM 1448 N HIS A 94 -9.117 0.262 -4.746 1.00 0.00 N ATOM 1449 CA HIS A 94 -8.783 1.569 -4.195 1.00 0.00 C ATOM 1450 C HIS A 94 -8.521 2.578 -5.308 1.00 0.00 C ATOM 1451 O HIS A 94 -9.099 3.665 -5.322 1.00 0.00 O ATOM 1452 CB HIS A 94 -7.557 1.466 -3.287 1.00 0.00 C ATOM 1453 CG HIS A 94 -7.893 1.184 -1.855 1.00 0.00 C ATOM 1454 ND1 HIS A 94 -8.058 0.012 -1.198 1.00 0.00 N flip ATOM 1455 CD2 HIS A 94 -8.103 2.178 -0.922 1.00 0.00 C flip ATOM 1456 CE1 HIS A 94 -8.360 0.316 0.107 1.00 0.00 C flip ATOM 1457 NE2 HIS A 94 -8.380 1.629 0.248 1.00 0.00 N flip ATOM 0 H HIS A 94 -8.396 -0.448 -4.615 1.00 0.00 H new ATOM 0 HA HIS A 94 -9.634 1.915 -3.608 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -6.904 0.677 -3.660 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -6.995 2.398 -3.343 1.00 0.00 H new ATOM 0 HD1 HIS A 94 -7.974 -0.923 -1.598 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -8.049 3.239 -1.117 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -8.550 -0.402 0.891 1.00 0.00 H new ATOM 1466 N GLN A 95 -7.648 2.211 -6.240 1.00 0.00 N ATOM 1467 CA GLN A 95 -7.310 3.085 -7.356 1.00 0.00 C ATOM 1468 C GLN A 95 -8.551 3.794 -7.888 1.00 0.00 C ATOM 1469 O GLN A 95 -8.517 4.988 -8.187 1.00 0.00 O ATOM 1470 CB GLN A 95 -6.647 2.283 -8.477 1.00 0.00 C ATOM 1471 CG GLN A 95 -5.139 2.163 -8.330 1.00 0.00 C ATOM 1472 CD GLN A 95 -4.500 1.398 -9.473 1.00 0.00 C ATOM 1473 OE1 GLN A 95 -5.165 0.634 -10.172 1.00 0.00 O ATOM 1474 NE2 GLN A 95 -3.201 1.601 -9.667 1.00 0.00 N ATOM 0 H GLN A 95 -7.162 1.314 -6.244 1.00 0.00 H new ATOM 0 HA GLN A 95 -6.610 3.839 -6.995 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -7.082 1.284 -8.503 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -6.874 2.755 -9.433 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -4.703 3.160 -8.276 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -4.908 1.663 -7.389 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -2.689 2.244 -9.063 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -2.716 1.114 -10.420 1.00 0.00 H new ATOM 1483 N HIS A 96 -9.647 3.051 -8.005 1.00 0.00 N ATOM 1484 CA HIS A 96 -10.900 3.608 -8.501 1.00 0.00 C ATOM 1485 C HIS A 96 -11.545 4.511 -7.453 1.00 0.00 C ATOM 1486 O HIS A 96 -11.909 5.650 -7.742 1.00 0.00 O ATOM 1487 CB HIS A 96 -11.864 2.487 -8.887 1.00 0.00 C ATOM 1488 CG HIS A 96 -11.714 2.028 -10.304 1.00 0.00 C ATOM 1489 ND1 HIS A 96 -12.679 2.230 -11.268 1.00 0.00 N ATOM 1490 CD2 HIS A 96 -10.700 1.376 -10.921 1.00 0.00 C ATOM 1491 CE1 HIS A 96 -12.267 1.720 -12.414 1.00 0.00 C ATOM 1492 NE2 HIS A 96 -11.068 1.196 -12.232 1.00 0.00 N ATOM 0 H HIS A 96 -9.692 2.061 -7.763 1.00 0.00 H new ATOM 0 HA HIS A 96 -10.678 4.206 -9.385 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -11.707 1.639 -8.221 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -12.887 2.829 -8.731 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -9.774 1.057 -10.466 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -12.817 1.730 -13.343 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -10.507 0.734 -12.948 1.00 0.00 H new ATOM 1501 N ASN A 97 -11.682 3.994 -6.237 1.00 0.00 N ATOM 1502 CA ASN A 97 -12.284 4.754 -5.147 1.00 0.00 C ATOM 1503 C ASN A 97 -11.550 4.497 -3.835 1.00 0.00 C ATOM 1504 O ASN A 97 -11.286 3.350 -3.474 1.00 0.00 O ATOM 1505 CB ASN A 97 -13.762 4.388 -4.998 1.00 0.00 C ATOM 1506 CG ASN A 97 -13.958 2.990 -4.445 1.00 0.00 C ATOM 1507 OD1 ASN A 97 -14.107 2.803 -3.237 1.00 0.00 O ATOM 1508 ND2 ASN A 97 -13.960 1.999 -5.329 1.00 0.00 N ATOM 0 H ASN A 97 -11.385 3.052 -5.981 1.00 0.00 H new ATOM 0 HA ASN A 97 -12.202 5.814 -5.387 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -14.247 5.108 -4.339 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -14.252 4.464 -5.969 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -14.089 1.037 -5.016 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -13.833 2.200 -6.321 1.00 0.00 H new ATOM 1515 N SER A 98 -11.224 5.572 -3.124 1.00 0.00 N ATOM 1516 CA SER A 98 -10.518 5.464 -1.854 1.00 0.00 C ATOM 1517 C SER A 98 -11.302 4.604 -0.867 1.00 0.00 C ATOM 1518 O SER A 98 -12.435 4.205 -1.139 1.00 0.00 O ATOM 1519 CB SER A 98 -10.278 6.853 -1.258 1.00 0.00 C ATOM 1520 OG SER A 98 -11.374 7.259 -0.456 1.00 0.00 O ATOM 0 H SER A 98 -11.438 6.528 -3.407 1.00 0.00 H new ATOM 0 HA SER A 98 -9.557 4.986 -2.042 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.368 6.843 -0.658 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.123 7.575 -2.060 1.00 0.00 H new ATOM 0 HG SER A 98 -11.196 8.149 -0.085 1.00 0.00 H new ATOM 1526 N ALA A 99 -10.692 4.323 0.279 1.00 0.00 N ATOM 1527 CA ALA A 99 -11.334 3.513 1.308 1.00 0.00 C ATOM 1528 C ALA A 99 -10.691 3.747 2.670 1.00 0.00 C ATOM 1529 O ALA A 99 -9.561 3.327 2.916 1.00 0.00 O ATOM 1530 CB ALA A 99 -11.267 2.039 0.936 1.00 0.00 C ATOM 0 H ALA A 99 -9.754 4.644 0.519 1.00 0.00 H new ATOM 0 HA ALA A 99 -12.380 3.813 1.373 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -11.750 1.445 1.712 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -11.779 1.880 -0.013 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -10.225 1.734 0.842 1.00 0.00 H new ATOM 1536 N GLY A 100 -11.420 4.420 3.556 1.00 0.00 N ATOM 1537 CA GLY A 100 -10.903 4.699 4.883 1.00 0.00 C ATOM 1538 C GLY A 100 -9.788 5.726 4.868 1.00 0.00 C ATOM 1539 O GLY A 100 -9.331 6.138 3.802 1.00 0.00 O ATOM 0 H GLY A 100 -12.359 4.777 3.378 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -11.714 5.057 5.517 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -10.535 3.774 5.328 1.00 0.00 H new ATOM 1543 N MET A 101 -9.353 6.141 6.052 1.00 0.00 N ATOM 1544 CA MET A 101 -8.285 7.128 6.171 1.00 0.00 C ATOM 1545 C MET A 101 -7.161 6.834 5.182 1.00 0.00 C ATOM 1546 O MET A 101 -6.456 7.742 4.742 1.00 0.00 O ATOM 1547 CB MET A 101 -7.733 7.144 7.598 1.00 0.00 C ATOM 1548 CG MET A 101 -6.899 5.922 7.941 1.00 0.00 C ATOM 1549 SD MET A 101 -7.898 4.541 8.527 1.00 0.00 S ATOM 1550 CE MET A 101 -6.627 3.434 9.132 1.00 0.00 C ATOM 0 H MET A 101 -9.723 5.810 6.943 1.00 0.00 H new ATOM 0 HA MET A 101 -8.702 8.108 5.939 1.00 0.00 H new ATOM 0 HB2 MET A 101 -7.125 8.038 7.733 1.00 0.00 H new ATOM 0 HB3 MET A 101 -8.564 7.215 8.299 1.00 0.00 H new ATOM 0 HG2 MET A 101 -6.338 5.611 7.060 1.00 0.00 H new ATOM 0 HG3 MET A 101 -6.170 6.188 8.706 1.00 0.00 H new ATOM 0 HE1 MET A 101 -7.090 2.530 9.528 1.00 0.00 H new ATOM 0 HE2 MET A 101 -5.956 3.170 8.315 1.00 0.00 H new ATOM 0 HE3 MET A 101 -6.061 3.927 9.922 1.00 0.00 H new ATOM 1560 N ILE A 102 -7.000 5.560 4.838 1.00 0.00 N ATOM 1561 CA ILE A 102 -5.963 5.148 3.901 1.00 0.00 C ATOM 1562 C ILE A 102 -5.980 6.013 2.646 1.00 0.00 C ATOM 1563 O ILE A 102 -6.702 5.725 1.689 1.00 0.00 O ATOM 1564 CB ILE A 102 -6.125 3.671 3.496 1.00 0.00 C ATOM 1565 CG1 ILE A 102 -6.081 2.772 4.732 1.00 0.00 C ATOM 1566 CG2 ILE A 102 -5.042 3.272 2.505 1.00 0.00 C ATOM 1567 CD1 ILE A 102 -6.534 1.354 4.466 1.00 0.00 C ATOM 0 H ILE A 102 -7.575 4.796 5.194 1.00 0.00 H new ATOM 0 HA ILE A 102 -5.008 5.273 4.412 1.00 0.00 H new ATOM 0 HB ILE A 102 -7.095 3.546 3.015 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -5.063 2.752 5.121 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -6.710 3.206 5.509 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -5.170 2.225 2.228 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -5.117 3.895 1.614 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -4.062 3.409 2.962 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -6.476 0.775 5.387 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -7.563 1.362 4.106 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -5.890 0.902 3.712 1.00 0.00 H new ATOM 1579 N THR A 103 -5.181 7.075 2.654 1.00 0.00 N ATOM 1580 CA THR A 103 -5.103 7.983 1.516 1.00 0.00 C ATOM 1581 C THR A 103 -5.195 7.221 0.198 1.00 0.00 C ATOM 1582 O THR A 103 -4.485 6.238 -0.012 1.00 0.00 O ATOM 1583 CB THR A 103 -3.796 8.797 1.535 1.00 0.00 C ATOM 1584 OG1 THR A 103 -3.595 9.370 2.832 1.00 0.00 O ATOM 1585 CG2 THR A 103 -3.831 9.900 0.487 1.00 0.00 C ATOM 0 H THR A 103 -4.578 7.328 3.437 1.00 0.00 H new ATOM 0 HA THR A 103 -5.948 8.666 1.598 1.00 0.00 H new ATOM 0 HB THR A 103 -2.970 8.124 1.304 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.842 9.996 2.800 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.898 10.462 0.519 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.955 9.459 -0.502 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.665 10.571 0.692 1.00 0.00 H new ATOM 1593 N ARG A 104 -6.073 7.681 -0.687 1.00 0.00 N ATOM 1594 CA ARG A 104 -6.258 7.044 -1.984 1.00 0.00 C ATOM 1595 C ARG A 104 -4.919 6.850 -2.690 1.00 0.00 C ATOM 1596 O ARG A 104 -4.021 7.686 -2.581 1.00 0.00 O ATOM 1597 CB ARG A 104 -7.192 7.880 -2.860 1.00 0.00 C ATOM 1598 CG ARG A 104 -6.810 9.350 -2.927 1.00 0.00 C ATOM 1599 CD ARG A 104 -7.354 10.010 -4.184 1.00 0.00 C ATOM 1600 NE ARG A 104 -8.792 10.251 -4.097 1.00 0.00 N ATOM 1601 CZ ARG A 104 -9.562 10.491 -5.153 1.00 0.00 C ATOM 1602 NH1 ARG A 104 -9.035 10.523 -6.368 1.00 0.00 N ATOM 1603 NH2 ARG A 104 -10.862 10.699 -4.992 1.00 0.00 N ATOM 0 H ARG A 104 -6.668 8.494 -0.528 1.00 0.00 H new ATOM 0 HA ARG A 104 -6.708 6.065 -1.818 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -7.196 7.468 -3.869 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -8.209 7.795 -2.477 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -7.194 9.867 -2.048 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -5.724 9.446 -2.905 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -6.837 10.955 -4.350 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -7.144 9.377 -5.046 1.00 0.00 H new ATOM 0 HE ARG A 104 -9.229 10.234 -3.175 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -8.036 10.363 -6.495 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -9.629 10.707 -7.177 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -11.270 10.675 -4.058 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -11.453 10.883 -5.802 1.00 0.00 H new ATOM 1617 N LEU A 105 -4.791 5.743 -3.413 1.00 0.00 N ATOM 1618 CA LEU A 105 -3.562 5.438 -4.136 1.00 0.00 C ATOM 1619 C LEU A 105 -3.407 6.347 -5.352 1.00 0.00 C ATOM 1620 O LEU A 105 -4.304 6.438 -6.190 1.00 0.00 O ATOM 1621 CB LEU A 105 -3.556 3.973 -4.576 1.00 0.00 C ATOM 1622 CG LEU A 105 -3.900 2.947 -3.496 1.00 0.00 C ATOM 1623 CD1 LEU A 105 -3.565 1.541 -3.971 1.00 0.00 C ATOM 1624 CD2 LEU A 105 -3.163 3.265 -2.204 1.00 0.00 C ATOM 0 H LEU A 105 -5.524 5.041 -3.514 1.00 0.00 H new ATOM 0 HA LEU A 105 -2.721 5.612 -3.465 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.264 3.858 -5.397 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.568 3.737 -4.972 1.00 0.00 H new ATOM 0 HG LEU A 105 -4.971 2.998 -3.301 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.816 0.824 -3.190 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.138 1.314 -4.870 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.500 1.476 -4.194 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.420 2.524 -1.447 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.088 3.243 -2.383 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -3.452 4.256 -1.855 1.00 0.00 H new ATOM 1636 N ARG A 106 -2.261 7.015 -5.442 1.00 0.00 N ATOM 1637 CA ARG A 106 -1.988 7.915 -6.555 1.00 0.00 C ATOM 1638 C ARG A 106 -1.240 7.190 -7.670 1.00 0.00 C ATOM 1639 O ARG A 106 -1.763 7.014 -8.771 1.00 0.00 O ATOM 1640 CB ARG A 106 -1.172 9.118 -6.078 1.00 0.00 C ATOM 1641 CG ARG A 106 -0.671 10.002 -7.208 1.00 0.00 C ATOM 1642 CD ARG A 106 -1.823 10.620 -7.985 1.00 0.00 C ATOM 1643 NE ARG A 106 -1.430 11.855 -8.658 1.00 0.00 N ATOM 1644 CZ ARG A 106 -2.297 12.759 -9.100 1.00 0.00 C ATOM 1645 NH1 ARG A 106 -3.599 12.568 -8.940 1.00 0.00 N ATOM 1646 NH2 ARG A 106 -1.861 13.858 -9.702 1.00 0.00 N ATOM 0 H ARG A 106 -1.508 6.949 -4.758 1.00 0.00 H new ATOM 0 HA ARG A 106 -2.942 8.265 -6.949 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.784 9.717 -5.404 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -0.318 8.761 -5.501 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -0.040 10.792 -6.801 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.049 9.414 -7.883 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.187 9.905 -8.723 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.650 10.825 -7.305 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.435 12.033 -8.796 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -3.938 11.725 -8.476 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -4.262 13.264 -9.281 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -0.860 14.009 -9.825 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -2.527 14.552 -10.041 1.00 0.00 H new ATOM 1660 N HIS A 107 -0.012 6.771 -7.378 1.00 0.00 N ATOM 1661 CA HIS A 107 0.808 6.066 -8.355 1.00 0.00 C ATOM 1662 C HIS A 107 1.625 4.966 -7.684 1.00 0.00 C ATOM 1663 O HIS A 107 2.051 5.087 -6.536 1.00 0.00 O ATOM 1664 CB HIS A 107 1.740 7.043 -9.072 1.00 0.00 C ATOM 1665 CG HIS A 107 1.092 7.755 -10.219 1.00 0.00 C ATOM 1666 ND1 HIS A 107 0.702 7.117 -11.377 1.00 0.00 N ATOM 1667 CD2 HIS A 107 0.765 9.059 -10.382 1.00 0.00 C ATOM 1668 CE1 HIS A 107 0.164 7.996 -12.203 1.00 0.00 C ATOM 1669 NE2 HIS A 107 0.190 9.182 -11.623 1.00 0.00 N ATOM 0 H HIS A 107 0.436 6.908 -6.472 1.00 0.00 H new ATOM 0 HA HIS A 107 0.143 5.607 -9.087 1.00 0.00 H new ATOM 0 HB2 HIS A 107 2.102 7.780 -8.355 1.00 0.00 H new ATOM 0 HB3 HIS A 107 2.611 6.500 -9.438 1.00 0.00 H new ATOM 0 HD2 HIS A 107 0.926 9.854 -9.669 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -0.230 7.781 -13.185 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -0.160 10.049 -12.031 1.00 0.00 H new ATOM 1678 N PRO A 108 1.850 3.864 -8.417 1.00 0.00 N ATOM 1679 CA PRO A 108 2.617 2.721 -7.913 1.00 0.00 C ATOM 1680 C PRO A 108 4.100 3.040 -7.760 1.00 0.00 C ATOM 1681 O PRO A 108 4.684 3.737 -8.590 1.00 0.00 O ATOM 1682 CB PRO A 108 2.408 1.652 -8.989 1.00 0.00 C ATOM 1683 CG PRO A 108 2.114 2.418 -10.232 1.00 0.00 C ATOM 1684 CD PRO A 108 1.373 3.651 -9.794 1.00 0.00 C ATOM 0 HA PRO A 108 2.288 2.416 -6.920 1.00 0.00 H new ATOM 0 HB2 PRO A 108 3.296 1.031 -9.108 1.00 0.00 H new ATOM 0 HB3 PRO A 108 1.585 0.986 -8.731 1.00 0.00 H new ATOM 0 HG2 PRO A 108 3.034 2.681 -10.755 1.00 0.00 H new ATOM 0 HG3 PRO A 108 1.513 1.826 -10.922 1.00 0.00 H new ATOM 0 HD2 PRO A 108 1.599 4.504 -10.434 1.00 0.00 H new ATOM 0 HD3 PRO A 108 0.293 3.504 -9.827 1.00 0.00 H new ATOM 1692 N VAL A 109 4.705 2.525 -6.694 1.00 0.00 N ATOM 1693 CA VAL A 109 6.121 2.754 -6.433 1.00 0.00 C ATOM 1694 C VAL A 109 6.860 1.439 -6.220 1.00 0.00 C ATOM 1695 O VAL A 109 6.309 0.487 -5.666 1.00 0.00 O ATOM 1696 CB VAL A 109 6.326 3.652 -5.198 1.00 0.00 C ATOM 1697 CG1 VAL A 109 7.808 3.819 -4.900 1.00 0.00 C ATOM 1698 CG2 VAL A 109 5.660 5.003 -5.405 1.00 0.00 C ATOM 0 H VAL A 109 4.236 1.946 -5.997 1.00 0.00 H new ATOM 0 HA VAL A 109 6.527 3.257 -7.310 1.00 0.00 H new ATOM 0 HB VAL A 109 5.859 3.171 -4.339 1.00 0.00 H new ATOM 0 HG11 VAL A 109 7.934 4.456 -4.025 1.00 0.00 H new ATOM 0 HG12 VAL A 109 8.252 2.843 -4.705 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.302 4.278 -5.757 1.00 0.00 H new ATOM 0 HG21 VAL A 109 5.815 5.624 -4.523 1.00 0.00 H new ATOM 0 HG22 VAL A 109 6.096 5.494 -6.275 1.00 0.00 H new ATOM 0 HG23 VAL A 109 4.591 4.861 -5.566 1.00 0.00 H new ATOM 1708 N SER A 110 8.112 1.391 -6.664 1.00 0.00 N ATOM 1709 CA SER A 110 8.927 0.189 -6.525 1.00 0.00 C ATOM 1710 C SER A 110 10.385 0.480 -6.870 1.00 0.00 C ATOM 1711 O SER A 110 10.689 0.982 -7.951 1.00 0.00 O ATOM 1712 CB SER A 110 8.390 -0.924 -7.426 1.00 0.00 C ATOM 1713 OG SER A 110 7.211 -1.494 -6.884 1.00 0.00 O ATOM 0 H SER A 110 8.584 2.170 -7.123 1.00 0.00 H new ATOM 0 HA SER A 110 8.875 -0.138 -5.487 1.00 0.00 H new ATOM 0 HB2 SER A 110 8.182 -0.524 -8.418 1.00 0.00 H new ATOM 0 HB3 SER A 110 9.149 -1.697 -7.547 1.00 0.00 H new ATOM 0 HG SER A 110 6.437 -1.211 -7.415 1.00 0.00 H new TER 1719 SER A 110