USER MOD reduce.3.24.130724 H: found=0, std=0, add=641, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 636 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 45 HIS : no HD1:sc= -3.06 X(o=-3.1,f=-3.2) USER MOD Set 1.2: A 47 SER OG : rot 180:sc= 0.00213 USER MOD Set 2.1: A 25 CYS SG : rot -9:sc= 0.874 USER MOD Set 2.2: A 32 GLN : amide:sc= 0.524 K(o=1.4,f=-0.57) USER MOD Set 3.1: A 10 TYR OH : rot -174:sc= 0.989 USER MOD Set 3.2: A 38 HIS : no HE2:sc= 0.444 K(o=1.4,f=-7.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 159:sc= 0.809 (180deg=0.538!) USER MOD Single : A 4 LYS NZ :NH3+ -173:sc= 1.29 (180deg=1.22) USER MOD Single : A 5 ASN : amide:sc= -0.512 K(o=-0.51,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= -0.109 USER MOD Single : A 8 SER OG : rot 42:sc= 1.23 USER MOD Single : A 11 THR OG1 : rot -62:sc= 0.578 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -176:sc= 1.23 (180deg=1.17) USER MOD Single : A 17 LYS NZ :NH3+ 170:sc= 1.31 (180deg=1.13) USER MOD Single : A 24 ASN : amide:sc= 0.914 K(o=0.91,f=-0.057) USER MOD Single : A 30 LYS NZ :NH3+ -147:sc= 1.53 (180deg=-2.23) USER MOD Single : A 31 LYS NZ :NH3+ -162:sc= 0.477! (180deg=0.305!) USER MOD Single : A 35 ASN : amide:sc= -6.07! C(o=-6.1!,f=-6.9!) USER MOD Single : A 41 SER OG : rot 112:sc= 1.29 USER MOD Single : A 43 THR OG1 : rot 165:sc= 1.2 USER MOD Single : A 49 SER OG : rot -100:sc= 1.03 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.0701 X(o=-0.07,f=-0.01) USER MOD Single : A 59 ASN : amide:sc= -0.779 K(o=-0.78,f=-4.4!) USER MOD Single : A 62 SER OG : rot 107:sc= 1.17 USER MOD Single : A 68 LYS NZ :NH3+ -174:sc= -0.232 (180deg=-0.53) USER MOD Single : A 71 LYS NZ :NH3+ -166:sc= 0.0223 (180deg=-0.0646) USER MOD Single : A 77 ASN : amide:sc= 0.621 K(o=0.62,f=-0.0065) USER MOD Single : A 79 LYS NZ :NH3+ -123:sc= 1.07 (180deg=-0.13) USER MOD Single : A 80 SER OG : rot 24:sc= 0.74 USER MOD Single : A 83 LYS NZ :NH3+ -157:sc= 1.73 (180deg=0.619) USER MOD Single : A 84 GLN : amide:sc= 0.884 K(o=0.88,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.799 1.457 -1.925 1.00 0.00 N ATOM 2 CA MET A 1 15.337 1.431 -1.781 1.00 0.00 C ATOM 3 C MET A 1 14.876 2.878 -1.763 1.00 0.00 C ATOM 4 O MET A 1 14.938 3.545 -0.735 1.00 0.00 O ATOM 5 CB MET A 1 14.883 0.657 -0.530 1.00 0.00 C ATOM 6 CG MET A 1 14.969 -0.864 -0.705 1.00 0.00 C ATOM 7 SD MET A 1 16.606 -1.534 -1.122 1.00 0.00 S ATOM 8 CE MET A 1 16.207 -3.302 -1.065 1.00 0.00 C ATOM 0 H1 MET A 1 17.197 0.555 -1.594 1.00 0.00 H new ATOM 0 H2 MET A 1 17.047 1.598 -2.925 1.00 0.00 H new ATOM 0 H3 MET A 1 17.190 2.236 -1.358 1.00 0.00 H new ATOM 0 HA MET A 1 14.882 0.895 -2.614 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.498 0.955 0.319 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.856 0.933 -0.291 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.632 -1.334 0.219 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.269 -1.159 -1.487 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.099 -3.884 -1.297 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.853 -3.563 -0.068 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.429 -3.523 -1.796 1.00 0.00 H new ATOM 18 N GLU A 2 14.485 3.395 -2.923 1.00 0.00 N ATOM 19 CA GLU A 2 14.415 4.824 -3.210 1.00 0.00 C ATOM 20 C GLU A 2 12.972 5.280 -2.967 1.00 0.00 C ATOM 21 O GLU A 2 12.303 5.835 -3.839 1.00 0.00 O ATOM 22 CB GLU A 2 14.947 5.055 -4.642 1.00 0.00 C ATOM 23 CG GLU A 2 16.475 4.862 -4.795 1.00 0.00 C ATOM 24 CD GLU A 2 17.018 3.536 -4.233 1.00 0.00 C ATOM 25 OE1 GLU A 2 16.503 2.447 -4.580 1.00 0.00 O ATOM 26 OE2 GLU A 2 17.839 3.560 -3.292 1.00 0.00 O ATOM 0 H GLU A 2 14.200 2.815 -3.712 1.00 0.00 H new ATOM 0 HA GLU A 2 15.042 5.432 -2.557 1.00 0.00 H new ATOM 0 HB2 GLU A 2 14.437 4.371 -5.321 1.00 0.00 H new ATOM 0 HB3 GLU A 2 14.688 6.067 -4.954 1.00 0.00 H new ATOM 0 HG2 GLU A 2 16.731 4.924 -5.853 1.00 0.00 H new ATOM 0 HG3 GLU A 2 16.983 5.687 -4.296 1.00 0.00 H new ATOM 33 N LEU A 3 12.475 4.926 -1.781 1.00 0.00 N ATOM 34 CA LEU A 3 11.089 4.924 -1.401 1.00 0.00 C ATOM 35 C LEU A 3 10.504 6.327 -1.434 1.00 0.00 C ATOM 36 O LEU A 3 11.113 7.286 -0.940 1.00 0.00 O ATOM 37 CB LEU A 3 10.912 4.272 -0.024 1.00 0.00 C ATOM 38 CG LEU A 3 11.351 2.796 0.054 1.00 0.00 C ATOM 39 CD1 LEU A 3 10.878 2.197 1.375 1.00 0.00 C ATOM 40 CD2 LEU A 3 10.842 1.920 -1.103 1.00 0.00 C ATOM 0 H LEU A 3 13.081 4.615 -1.022 1.00 0.00 H new ATOM 0 HA LEU A 3 10.536 4.330 -2.129 1.00 0.00 H new ATOM 0 HB2 LEU A 3 11.480 4.845 0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 3 9.862 4.340 0.262 1.00 0.00 H new ATOM 0 HG LEU A 3 12.438 2.802 -0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 3 11.187 1.153 1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 3 11.317 2.752 2.204 1.00 0.00 H new ATOM 0 HD13 LEU A 3 9.791 2.257 1.433 1.00 0.00 H new ATOM 0 HD21 LEU A 3 11.197 0.898 -0.969 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.752 1.927 -1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 3 11.216 2.313 -2.049 1.00 0.00 H new ATOM 52 N LYS A 4 9.314 6.460 -2.026 1.00 0.00 N ATOM 53 CA LYS A 4 8.693 7.759 -2.145 1.00 0.00 C ATOM 54 C LYS A 4 8.350 8.272 -0.767 1.00 0.00 C ATOM 55 O LYS A 4 7.798 7.568 0.065 1.00 0.00 O ATOM 56 CB LYS A 4 7.495 7.803 -3.096 1.00 0.00 C ATOM 57 CG LYS A 4 7.903 7.877 -4.568 1.00 0.00 C ATOM 58 CD LYS A 4 8.376 6.579 -5.225 1.00 0.00 C ATOM 59 CE LYS A 4 8.882 6.860 -6.648 1.00 0.00 C ATOM 60 NZ LYS A 4 7.954 7.672 -7.470 1.00 0.00 N ATOM 0 H LYS A 4 8.776 5.689 -2.422 1.00 0.00 H new ATOM 0 HA LYS A 4 9.420 8.423 -2.613 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.881 6.916 -2.939 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.876 8.667 -2.852 1.00 0.00 H new ATOM 0 HG2 LYS A 4 7.053 8.254 -5.136 1.00 0.00 H new ATOM 0 HG3 LYS A 4 8.701 8.614 -4.662 1.00 0.00 H new ATOM 0 HD2 LYS A 4 9.171 6.130 -4.630 1.00 0.00 H new ATOM 0 HD3 LYS A 4 7.558 5.860 -5.257 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.841 7.375 -6.586 1.00 0.00 H new ATOM 0 HE3 LYS A 4 9.062 5.911 -7.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.307 7.719 -8.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.011 7.234 -7.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.893 8.633 -7.077 1.00 0.00 H new ATOM 74 N ASN A 5 8.686 9.537 -0.542 1.00 0.00 N ATOM 75 CA ASN A 5 8.464 10.175 0.743 1.00 0.00 C ATOM 76 C ASN A 5 6.977 10.472 0.961 1.00 0.00 C ATOM 77 O ASN A 5 6.628 10.966 2.031 1.00 0.00 O ATOM 78 CB ASN A 5 9.311 11.457 0.858 1.00 0.00 C ATOM 79 CG ASN A 5 10.824 11.252 0.982 1.00 0.00 C ATOM 80 OD1 ASN A 5 11.542 12.202 1.263 1.00 0.00 O ATOM 81 ND2 ASN A 5 11.371 10.067 0.742 1.00 0.00 N ATOM 0 H ASN A 5 9.116 10.142 -1.241 1.00 0.00 H new ATOM 0 HA ASN A 5 8.779 9.487 1.527 1.00 0.00 H new ATOM 0 HB2 ASN A 5 9.119 12.076 -0.018 1.00 0.00 H new ATOM 0 HB3 ASN A 5 8.968 12.019 1.727 1.00 0.00 H new ATOM 0 HD21 ASN A 5 12.383 9.953 0.792 1.00 0.00 H new ATOM 0 HD22 ASN A 5 10.779 9.270 0.507 1.00 0.00 H new ATOM 88 N SER A 6 6.080 10.248 -0.014 1.00 0.00 N ATOM 89 CA SER A 6 4.656 10.393 0.214 1.00 0.00 C ATOM 90 C SER A 6 3.857 9.524 -0.744 1.00 0.00 C ATOM 91 O SER A 6 4.304 9.263 -1.864 1.00 0.00 O ATOM 92 CB SER A 6 4.271 11.842 -0.043 1.00 0.00 C ATOM 93 OG SER A 6 5.092 12.781 0.626 1.00 0.00 O ATOM 0 H SER A 6 6.328 9.967 -0.962 1.00 0.00 H new ATOM 0 HA SER A 6 4.438 10.092 1.239 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.315 12.035 -1.115 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.237 11.993 0.266 1.00 0.00 H new ATOM 0 HG SER A 6 4.789 13.689 0.415 1.00 0.00 H new ATOM 99 N ILE A 7 2.615 9.213 -0.359 1.00 0.00 N ATOM 100 CA ILE A 7 1.624 8.583 -1.220 1.00 0.00 C ATOM 101 C ILE A 7 1.500 9.338 -2.536 1.00 0.00 C ATOM 102 O ILE A 7 1.484 8.711 -3.585 1.00 0.00 O ATOM 103 CB ILE A 7 0.284 8.451 -0.462 1.00 0.00 C ATOM 104 CG1 ILE A 7 0.162 7.055 0.153 1.00 0.00 C ATOM 105 CG2 ILE A 7 -0.992 8.772 -1.254 1.00 0.00 C ATOM 106 CD1 ILE A 7 -0.090 5.884 -0.793 1.00 0.00 C ATOM 0 H ILE A 7 2.269 9.399 0.582 1.00 0.00 H new ATOM 0 HA ILE A 7 1.945 7.574 -1.480 1.00 0.00 H new ATOM 0 HB ILE A 7 0.339 9.229 0.299 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.080 6.850 0.704 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.649 7.079 0.881 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.862 8.642 -0.611 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.952 9.803 -1.606 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -1.069 8.100 -2.108 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.154 4.960 -0.219 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.026 6.044 -1.329 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.729 5.811 -1.508 1.00 0.00 H new ATOM 118 N SER A 8 1.470 10.673 -2.523 1.00 0.00 N ATOM 119 CA SER A 8 1.259 11.462 -3.730 1.00 0.00 C ATOM 120 C SER A 8 2.456 11.454 -4.693 1.00 0.00 C ATOM 121 O SER A 8 2.382 12.062 -5.769 1.00 0.00 O ATOM 122 CB SER A 8 0.766 12.857 -3.325 1.00 0.00 C ATOM 123 OG SER A 8 -0.517 13.117 -3.865 1.00 0.00 O ATOM 0 H SER A 8 1.591 11.231 -1.678 1.00 0.00 H new ATOM 0 HA SER A 8 0.480 10.993 -4.332 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.730 12.933 -2.238 1.00 0.00 H new ATOM 0 HB3 SER A 8 1.471 13.612 -3.674 1.00 0.00 H new ATOM 0 HG SER A 8 -1.076 12.316 -3.781 1.00 0.00 H new ATOM 129 N ASP A 9 3.524 10.708 -4.385 1.00 0.00 N ATOM 130 CA ASP A 9 4.512 10.323 -5.385 1.00 0.00 C ATOM 131 C ASP A 9 4.479 8.838 -5.740 1.00 0.00 C ATOM 132 O ASP A 9 5.000 8.453 -6.782 1.00 0.00 O ATOM 133 CB ASP A 9 5.917 10.798 -5.004 1.00 0.00 C ATOM 134 CG ASP A 9 6.709 11.022 -6.301 1.00 0.00 C ATOM 135 OD1 ASP A 9 6.263 11.895 -7.086 1.00 0.00 O ATOM 136 OD2 ASP A 9 7.679 10.279 -6.560 1.00 0.00 O ATOM 0 H ASP A 9 3.721 10.361 -3.446 1.00 0.00 H new ATOM 0 HA ASP A 9 4.228 10.842 -6.301 1.00 0.00 H new ATOM 0 HB2 ASP A 9 5.864 11.720 -4.426 1.00 0.00 H new ATOM 0 HB3 ASP A 9 6.413 10.057 -4.377 1.00 0.00 H new ATOM 141 N TYR A 10 3.798 8.013 -4.947 1.00 0.00 N ATOM 142 CA TYR A 10 3.652 6.569 -5.107 1.00 0.00 C ATOM 143 C TYR A 10 2.579 6.215 -6.124 1.00 0.00 C ATOM 144 O TYR A 10 1.596 5.557 -5.814 1.00 0.00 O ATOM 145 CB TYR A 10 3.313 5.944 -3.753 1.00 0.00 C ATOM 146 CG TYR A 10 4.493 5.382 -3.046 1.00 0.00 C ATOM 147 CD1 TYR A 10 5.200 4.356 -3.686 1.00 0.00 C ATOM 148 CD2 TYR A 10 4.837 5.814 -1.761 1.00 0.00 C ATOM 149 CE1 TYR A 10 6.319 3.790 -3.072 1.00 0.00 C ATOM 150 CE2 TYR A 10 5.974 5.255 -1.153 1.00 0.00 C ATOM 151 CZ TYR A 10 6.725 4.259 -1.813 1.00 0.00 C ATOM 152 OH TYR A 10 7.858 3.765 -1.266 1.00 0.00 O ATOM 0 H TYR A 10 3.303 8.357 -4.124 1.00 0.00 H new ATOM 0 HA TYR A 10 4.597 6.172 -5.479 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.846 6.699 -3.120 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.578 5.153 -3.901 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.879 4.003 -4.655 1.00 0.00 H new ATOM 0 HD2 TYR A 10 4.244 6.558 -1.249 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.867 2.999 -3.561 1.00 0.00 H new ATOM 0 HE2 TYR A 10 6.276 5.591 -0.172 1.00 0.00 H new ATOM 0 HH TYR A 10 7.958 4.109 -0.354 1.00 0.00 H new ATOM 162 N THR A 11 2.766 6.684 -7.346 1.00 0.00 N ATOM 163 CA THR A 11 2.007 6.353 -8.534 1.00 0.00 C ATOM 164 C THR A 11 1.502 4.935 -8.424 1.00 0.00 C ATOM 165 O THR A 11 2.191 4.038 -7.946 1.00 0.00 O ATOM 166 CB THR A 11 2.796 6.455 -9.846 1.00 0.00 C ATOM 167 OG1 THR A 11 3.837 5.532 -9.931 1.00 0.00 O ATOM 168 CG2 THR A 11 3.398 7.814 -10.198 1.00 0.00 C ATOM 0 H THR A 11 3.508 7.355 -7.545 1.00 0.00 H new ATOM 0 HA THR A 11 1.204 7.089 -8.578 1.00 0.00 H new ATOM 0 HB THR A 11 2.000 6.250 -10.562 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.480 5.697 -9.210 1.00 0.00 H new ATOM 0 HG21 THR A 11 3.927 7.742 -11.148 1.00 0.00 H new ATOM 0 HG22 THR A 11 2.602 8.554 -10.280 1.00 0.00 H new ATOM 0 HG23 THR A 11 4.095 8.116 -9.417 1.00 0.00 H new ATOM 176 N GLU A 12 0.293 4.769 -8.908 1.00 0.00 N ATOM 177 CA GLU A 12 -0.460 3.546 -8.728 1.00 0.00 C ATOM 178 C GLU A 12 0.340 2.267 -9.030 1.00 0.00 C ATOM 179 O GLU A 12 0.176 1.265 -8.336 1.00 0.00 O ATOM 180 CB GLU A 12 -1.746 3.678 -9.550 1.00 0.00 C ATOM 181 CG GLU A 12 -2.941 3.247 -8.709 1.00 0.00 C ATOM 182 CD GLU A 12 -4.200 4.053 -9.012 1.00 0.00 C ATOM 183 OE1 GLU A 12 -4.195 5.265 -8.712 1.00 0.00 O ATOM 184 OE2 GLU A 12 -5.219 3.477 -9.448 1.00 0.00 O ATOM 0 H GLU A 12 -0.201 5.484 -9.442 1.00 0.00 H new ATOM 0 HA GLU A 12 -0.707 3.423 -7.673 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.874 4.709 -9.879 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.680 3.063 -10.447 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -3.141 2.190 -8.885 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.693 3.353 -7.653 1.00 0.00 H new ATOM 191 N THR A 13 1.257 2.314 -10.000 1.00 0.00 N ATOM 192 CA THR A 13 2.140 1.205 -10.343 1.00 0.00 C ATOM 193 C THR A 13 3.356 1.094 -9.399 1.00 0.00 C ATOM 194 O THR A 13 3.819 -0.017 -9.141 1.00 0.00 O ATOM 195 CB THR A 13 2.611 1.372 -11.802 1.00 0.00 C ATOM 196 OG1 THR A 13 1.585 1.907 -12.625 1.00 0.00 O ATOM 197 CG2 THR A 13 3.054 0.040 -12.414 1.00 0.00 C ATOM 0 H THR A 13 1.406 3.141 -10.578 1.00 0.00 H new ATOM 0 HA THR A 13 1.574 0.281 -10.228 1.00 0.00 H new ATOM 0 HB THR A 13 3.456 2.060 -11.764 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.917 2.002 -13.542 1.00 0.00 H new ATOM 0 HG21 THR A 13 3.378 0.202 -13.442 1.00 0.00 H new ATOM 0 HG22 THR A 13 3.880 -0.370 -11.833 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.219 -0.661 -12.403 1.00 0.00 H new ATOM 205 N GLU A 14 3.915 2.196 -8.884 1.00 0.00 N ATOM 206 CA GLU A 14 5.012 2.141 -7.931 1.00 0.00 C ATOM 207 C GLU A 14 4.522 1.640 -6.577 1.00 0.00 C ATOM 208 O GLU A 14 5.190 0.794 -5.976 1.00 0.00 O ATOM 209 CB GLU A 14 5.636 3.529 -7.803 1.00 0.00 C ATOM 210 CG GLU A 14 6.291 3.917 -9.133 1.00 0.00 C ATOM 211 CD GLU A 14 6.835 5.344 -9.086 1.00 0.00 C ATOM 212 OE1 GLU A 14 6.039 6.260 -8.768 1.00 0.00 O ATOM 213 OE2 GLU A 14 8.042 5.568 -9.314 1.00 0.00 O ATOM 0 H GLU A 14 3.616 3.142 -9.119 1.00 0.00 H new ATOM 0 HA GLU A 14 5.767 1.441 -8.289 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.873 4.259 -7.534 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.378 3.534 -7.004 1.00 0.00 H new ATOM 0 HG2 GLU A 14 7.101 3.223 -9.358 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.563 3.829 -9.939 1.00 0.00 H new ATOM 220 N PHE A 15 3.358 2.113 -6.107 1.00 0.00 N ATOM 221 CA PHE A 15 2.789 1.561 -4.892 1.00 0.00 C ATOM 222 C PHE A 15 2.500 0.088 -5.100 1.00 0.00 C ATOM 223 O PHE A 15 2.852 -0.699 -4.231 1.00 0.00 O ATOM 224 CB PHE A 15 1.548 2.321 -4.419 1.00 0.00 C ATOM 225 CG PHE A 15 1.341 2.248 -2.912 1.00 0.00 C ATOM 226 CD1 PHE A 15 2.377 2.650 -2.047 1.00 0.00 C ATOM 227 CD2 PHE A 15 0.131 1.790 -2.358 1.00 0.00 C ATOM 228 CE1 PHE A 15 2.197 2.629 -0.658 1.00 0.00 C ATOM 229 CE2 PHE A 15 -0.049 1.784 -0.961 1.00 0.00 C ATOM 230 CZ PHE A 15 0.971 2.241 -0.107 1.00 0.00 C ATOM 0 H PHE A 15 2.813 2.856 -6.543 1.00 0.00 H new ATOM 0 HA PHE A 15 3.521 1.675 -4.093 1.00 0.00 H new ATOM 0 HB2 PHE A 15 1.633 3.366 -4.718 1.00 0.00 H new ATOM 0 HB3 PHE A 15 0.669 1.917 -4.921 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.320 2.978 -2.459 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -0.661 1.443 -3.005 1.00 0.00 H new ATOM 0 HE1 PHE A 15 3.011 2.914 -0.008 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.978 1.426 -0.542 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.810 2.292 0.960 1.00 0.00 H new ATOM 240 N LYS A 16 1.988 -0.346 -6.261 1.00 0.00 N ATOM 241 CA LYS A 16 1.997 -1.731 -6.588 1.00 0.00 C ATOM 242 C LYS A 16 3.316 -2.401 -6.395 1.00 0.00 C ATOM 243 O LYS A 16 3.265 -3.404 -5.723 1.00 0.00 O ATOM 244 CB LYS A 16 1.593 -1.857 -8.053 1.00 0.00 C ATOM 245 CG LYS A 16 0.387 -2.746 -8.131 1.00 0.00 C ATOM 246 CD LYS A 16 -0.708 -2.010 -7.364 1.00 0.00 C ATOM 247 CE LYS A 16 -2.021 -2.296 -7.997 1.00 0.00 C ATOM 248 NZ LYS A 16 -2.423 -3.704 -7.752 1.00 0.00 N ATOM 0 H LYS A 16 1.571 0.258 -6.969 1.00 0.00 H new ATOM 0 HA LYS A 16 1.305 -2.229 -5.909 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.370 -0.876 -8.472 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.412 -2.275 -8.639 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.093 -2.920 -9.166 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.589 -3.722 -7.689 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.716 -2.328 -6.322 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.514 -0.937 -7.368 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.778 -1.621 -7.598 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.962 -2.110 -9.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.309 -3.905 -8.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.677 -4.343 -8.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.565 -3.852 -6.732 1.00 0.00 H new ATOM 262 N LYS A 17 4.463 -1.966 -6.925 1.00 0.00 N ATOM 263 CA LYS A 17 5.631 -2.775 -6.688 1.00 0.00 C ATOM 264 C LYS A 17 5.855 -2.950 -5.185 1.00 0.00 C ATOM 265 O LYS A 17 6.270 -4.036 -4.831 1.00 0.00 O ATOM 266 CB LYS A 17 6.851 -2.194 -7.412 1.00 0.00 C ATOM 267 CG LYS A 17 7.773 -3.278 -7.991 1.00 0.00 C ATOM 268 CD LYS A 17 8.211 -4.366 -6.992 1.00 0.00 C ATOM 269 CE LYS A 17 9.299 -5.300 -7.520 1.00 0.00 C ATOM 270 NZ LYS A 17 9.530 -6.436 -6.595 1.00 0.00 N ATOM 0 H LYS A 17 4.594 -1.120 -7.480 1.00 0.00 H new ATOM 0 HA LYS A 17 5.473 -3.770 -7.104 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.513 -1.543 -8.218 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.418 -1.574 -6.718 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.264 -3.758 -8.827 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.664 -2.797 -8.395 1.00 0.00 H new ATOM 0 HD2 LYS A 17 8.571 -3.885 -6.083 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.341 -4.961 -6.715 1.00 0.00 H new ATOM 0 HE2 LYS A 17 9.011 -5.679 -8.500 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.226 -4.743 -7.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.145 -7.138 -7.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.987 -6.090 -5.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.620 -6.878 -6.354 1.00 0.00 H new ATOM 284 N ILE A 18 5.525 -2.001 -4.303 1.00 0.00 N ATOM 285 CA ILE A 18 5.645 -2.327 -2.872 1.00 0.00 C ATOM 286 C ILE A 18 4.643 -3.411 -2.465 1.00 0.00 C ATOM 287 O ILE A 18 5.011 -4.488 -2.002 1.00 0.00 O ATOM 288 CB ILE A 18 5.683 -1.052 -1.997 1.00 0.00 C ATOM 289 CG1 ILE A 18 6.860 -1.291 -1.028 1.00 0.00 C ATOM 290 CG2 ILE A 18 4.414 -0.534 -1.292 1.00 0.00 C ATOM 291 CD1 ILE A 18 6.956 -0.311 0.124 1.00 0.00 C ATOM 0 H ILE A 18 5.194 -1.062 -4.527 1.00 0.00 H new ATOM 0 HA ILE A 18 6.614 -2.787 -2.681 1.00 0.00 H new ATOM 0 HB ILE A 18 5.795 -0.209 -2.678 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.776 -2.299 -0.621 1.00 0.00 H new ATOM 0 HG13 ILE A 18 7.790 -1.253 -1.595 1.00 0.00 H new ATOM 0 HG21 ILE A 18 4.653 0.369 -0.730 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.651 -0.307 -2.037 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.039 -1.297 -0.610 1.00 0.00 H new ATOM 0 HD11 ILE A 18 7.814 -0.564 0.746 1.00 0.00 H new ATOM 0 HD12 ILE A 18 7.076 0.699 -0.267 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.046 -0.363 0.722 1.00 0.00 H new ATOM 303 N ILE A 19 3.380 -3.130 -2.737 1.00 0.00 N ATOM 304 CA ILE A 19 2.214 -3.918 -2.352 1.00 0.00 C ATOM 305 C ILE A 19 2.206 -5.340 -2.982 1.00 0.00 C ATOM 306 O ILE A 19 1.716 -6.320 -2.414 1.00 0.00 O ATOM 307 CB ILE A 19 0.981 -3.050 -2.715 1.00 0.00 C ATOM 308 CG1 ILE A 19 0.866 -1.757 -1.878 1.00 0.00 C ATOM 309 CG2 ILE A 19 -0.357 -3.773 -2.652 1.00 0.00 C ATOM 310 CD1 ILE A 19 0.842 -1.938 -0.363 1.00 0.00 C ATOM 0 H ILE A 19 3.122 -2.296 -3.264 1.00 0.00 H new ATOM 0 HA ILE A 19 2.215 -4.137 -1.284 1.00 0.00 H new ATOM 0 HB ILE A 19 1.183 -2.798 -3.756 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.704 -1.108 -2.133 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.044 -1.235 -2.176 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.156 -3.083 -2.922 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.351 -4.612 -3.348 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.523 -4.143 -1.640 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.759 -0.964 0.119 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.012 -2.555 -0.084 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.762 -2.425 -0.040 1.00 0.00 H new ATOM 322 N GLU A 20 2.758 -5.495 -4.174 1.00 0.00 N ATOM 323 CA GLU A 20 2.820 -6.737 -4.901 1.00 0.00 C ATOM 324 C GLU A 20 4.082 -7.501 -4.540 1.00 0.00 C ATOM 325 O GLU A 20 4.008 -8.721 -4.471 1.00 0.00 O ATOM 326 CB GLU A 20 2.580 -6.539 -6.386 1.00 0.00 C ATOM 327 CG GLU A 20 1.150 -6.953 -6.801 1.00 0.00 C ATOM 328 CD GLU A 20 0.548 -6.206 -8.006 1.00 0.00 C ATOM 329 OE1 GLU A 20 1.255 -6.022 -9.019 1.00 0.00 O ATOM 330 OE2 GLU A 20 -0.631 -5.767 -7.904 1.00 0.00 O ATOM 0 H GLU A 20 3.192 -4.721 -4.677 1.00 0.00 H new ATOM 0 HA GLU A 20 1.995 -7.379 -4.591 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.744 -5.493 -6.643 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.305 -7.124 -6.952 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.154 -8.019 -7.026 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.490 -6.810 -5.945 1.00 0.00 H new ATOM 337 N ASP A 21 5.207 -6.829 -4.260 1.00 0.00 N ATOM 338 CA ASP A 21 6.444 -7.483 -3.808 1.00 0.00 C ATOM 339 C ASP A 21 6.158 -8.368 -2.600 1.00 0.00 C ATOM 340 O ASP A 21 6.467 -9.564 -2.624 1.00 0.00 O ATOM 341 CB ASP A 21 7.498 -6.415 -3.500 1.00 0.00 C ATOM 342 CG ASP A 21 8.887 -6.932 -3.189 1.00 0.00 C ATOM 343 OD1 ASP A 21 9.091 -7.752 -2.275 1.00 0.00 O ATOM 344 OD2 ASP A 21 9.814 -6.511 -3.922 1.00 0.00 O ATOM 0 H ASP A 21 5.286 -5.815 -4.340 1.00 0.00 H new ATOM 0 HA ASP A 21 6.835 -8.127 -4.595 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.564 -5.740 -4.353 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.152 -5.824 -2.652 1.00 0.00 H new ATOM 349 N ILE A 22 5.459 -7.794 -1.616 1.00 0.00 N ATOM 350 CA ILE A 22 4.943 -8.498 -0.455 1.00 0.00 C ATOM 351 C ILE A 22 4.013 -9.640 -0.843 1.00 0.00 C ATOM 352 O ILE A 22 4.333 -10.789 -0.560 1.00 0.00 O ATOM 353 CB ILE A 22 4.284 -7.532 0.547 1.00 0.00 C ATOM 354 CG1 ILE A 22 3.175 -6.625 0.016 1.00 0.00 C ATOM 355 CG2 ILE A 22 5.377 -6.665 1.180 1.00 0.00 C ATOM 356 CD1 ILE A 22 2.652 -5.514 0.923 1.00 0.00 C ATOM 0 H ILE A 22 5.234 -6.799 -1.612 1.00 0.00 H new ATOM 0 HA ILE A 22 5.797 -8.951 0.049 1.00 0.00 H new ATOM 0 HB ILE A 22 3.777 -8.181 1.261 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.535 -6.162 -0.903 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.330 -7.257 -0.256 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.926 -5.975 1.893 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.094 -7.303 1.696 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.889 -6.100 0.402 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.870 -4.959 0.405 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.244 -5.950 1.835 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.468 -4.838 1.178 1.00 0.00 H new ATOM 368 N ILE A 23 2.875 -9.345 -1.476 1.00 0.00 N ATOM 369 CA ILE A 23 1.857 -10.373 -1.741 1.00 0.00 C ATOM 370 C ILE A 23 2.422 -11.572 -2.533 1.00 0.00 C ATOM 371 O ILE A 23 2.043 -12.712 -2.269 1.00 0.00 O ATOM 372 CB ILE A 23 0.620 -9.738 -2.420 1.00 0.00 C ATOM 373 CG1 ILE A 23 -0.155 -8.761 -1.497 1.00 0.00 C ATOM 374 CG2 ILE A 23 -0.380 -10.781 -2.949 1.00 0.00 C ATOM 375 CD1 ILE A 23 -0.857 -9.378 -0.276 1.00 0.00 C ATOM 0 H ILE A 23 2.633 -8.413 -1.813 1.00 0.00 H new ATOM 0 HA ILE A 23 1.536 -10.786 -0.784 1.00 0.00 H new ATOM 0 HB ILE A 23 1.044 -9.182 -3.256 1.00 0.00 H new ATOM 0 HG12 ILE A 23 0.542 -8.002 -1.142 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -0.905 -8.247 -2.098 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.225 -10.272 -3.414 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.112 -11.415 -3.686 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.737 -11.395 -2.122 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.362 -8.594 0.288 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.589 -10.114 -0.610 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.118 -9.865 0.361 1.00 0.00 H new ATOM 387 N ASN A 24 3.326 -11.365 -3.499 1.00 0.00 N ATOM 388 CA ASN A 24 3.985 -12.401 -4.260 1.00 0.00 C ATOM 389 C ASN A 24 4.946 -13.189 -3.394 1.00 0.00 C ATOM 390 O ASN A 24 5.111 -14.395 -3.559 1.00 0.00 O ATOM 391 CB ASN A 24 4.834 -11.649 -5.269 1.00 0.00 C ATOM 392 CG ASN A 24 4.135 -11.407 -6.557 1.00 0.00 C ATOM 393 OD1 ASN A 24 4.358 -12.037 -7.583 1.00 0.00 O ATOM 394 ND2 ASN A 24 3.317 -10.401 -6.499 1.00 0.00 N ATOM 0 H ASN A 24 3.621 -10.428 -3.773 1.00 0.00 H new ATOM 0 HA ASN A 24 3.255 -13.087 -4.690 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.134 -10.693 -4.841 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.747 -12.214 -5.459 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.821 -10.098 -7.337 1.00 0.00 H new ATOM 0 HD22 ASN A 24 3.170 -9.913 -5.615 1.00 0.00 H new ATOM 401 N CYS A 25 5.617 -12.423 -2.541 1.00 0.00 N ATOM 402 CA CYS A 25 6.556 -12.795 -1.483 1.00 0.00 C ATOM 403 C CYS A 25 7.969 -12.881 -2.066 1.00 0.00 C ATOM 404 O CYS A 25 8.628 -13.919 -1.979 1.00 0.00 O ATOM 405 CB CYS A 25 6.156 -14.097 -0.756 1.00 0.00 C ATOM 406 SG CYS A 25 4.514 -13.994 0.020 1.00 0.00 S ATOM 0 H CYS A 25 5.504 -11.410 -2.577 1.00 0.00 H new ATOM 0 HA CYS A 25 6.530 -12.017 -0.720 1.00 0.00 H new ATOM 0 HB2 CYS A 25 6.166 -14.923 -1.467 1.00 0.00 H new ATOM 0 HB3 CYS A 25 6.900 -14.325 0.007 1.00 0.00 H new ATOM 0 HG CYS A 25 4.088 -12.767 -0.027 1.00 0.00 H new ATOM 411 N GLU A 26 8.448 -11.801 -2.686 1.00 0.00 N ATOM 412 CA GLU A 26 9.686 -11.718 -3.423 1.00 0.00 C ATOM 413 C GLU A 26 10.935 -11.688 -2.518 1.00 0.00 C ATOM 414 O GLU A 26 11.807 -10.827 -2.657 1.00 0.00 O ATOM 415 CB GLU A 26 9.583 -10.513 -4.378 1.00 0.00 C ATOM 416 CG GLU A 26 10.587 -10.602 -5.530 1.00 0.00 C ATOM 417 CD GLU A 26 10.841 -9.237 -6.185 1.00 0.00 C ATOM 418 OE1 GLU A 26 11.627 -8.429 -5.636 1.00 0.00 O ATOM 419 OE2 GLU A 26 10.221 -8.931 -7.229 1.00 0.00 O ATOM 0 H GLU A 26 7.943 -10.915 -2.680 1.00 0.00 H new ATOM 0 HA GLU A 26 9.827 -12.628 -4.007 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.572 -10.457 -4.782 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.754 -9.593 -3.819 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.529 -11.006 -5.158 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.215 -11.300 -6.281 1.00 0.00 H new ATOM 426 N GLY A 27 11.072 -12.644 -1.601 1.00 0.00 N ATOM 427 CA GLY A 27 12.327 -12.864 -0.898 1.00 0.00 C ATOM 428 C GLY A 27 12.204 -13.541 0.459 1.00 0.00 C ATOM 429 O GLY A 27 12.567 -14.707 0.590 1.00 0.00 O ATOM 0 H GLY A 27 10.323 -13.280 -1.329 1.00 0.00 H new ATOM 0 HA2 GLY A 27 12.977 -13.470 -1.530 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.821 -11.902 -0.762 1.00 0.00 H new ATOM 433 N ASP A 28 11.808 -12.791 1.488 1.00 0.00 N ATOM 434 CA ASP A 28 12.020 -13.066 2.881 1.00 0.00 C ATOM 435 C ASP A 28 11.018 -12.150 3.598 1.00 0.00 C ATOM 436 O ASP A 28 10.691 -11.061 3.133 1.00 0.00 O ATOM 437 CB ASP A 28 13.485 -12.714 3.206 1.00 0.00 C ATOM 438 CG ASP A 28 13.857 -12.940 4.668 1.00 0.00 C ATOM 439 OD1 ASP A 28 13.279 -12.248 5.525 1.00 0.00 O ATOM 440 OD2 ASP A 28 14.736 -13.768 4.995 1.00 0.00 O ATOM 0 H ASP A 28 11.297 -11.920 1.344 1.00 0.00 H new ATOM 0 HA ASP A 28 11.867 -14.103 3.179 1.00 0.00 H new ATOM 0 HB2 ASP A 28 14.142 -13.313 2.576 1.00 0.00 H new ATOM 0 HB3 ASP A 28 13.664 -11.669 2.951 1.00 0.00 H new ATOM 445 N GLU A 29 10.514 -12.632 4.712 1.00 0.00 N ATOM 446 CA GLU A 29 9.588 -12.025 5.677 1.00 0.00 C ATOM 447 C GLU A 29 10.025 -10.619 6.095 1.00 0.00 C ATOM 448 O GLU A 29 9.206 -9.712 6.147 1.00 0.00 O ATOM 449 CB GLU A 29 9.414 -13.005 6.866 1.00 0.00 C ATOM 450 CG GLU A 29 10.677 -13.138 7.750 1.00 0.00 C ATOM 451 CD GLU A 29 10.919 -14.489 8.441 1.00 0.00 C ATOM 452 OE1 GLU A 29 9.959 -15.247 8.685 1.00 0.00 O ATOM 453 OE2 GLU A 29 12.121 -14.758 8.704 1.00 0.00 O ATOM 0 H GLU A 29 10.767 -13.574 5.010 1.00 0.00 H new ATOM 0 HA GLU A 29 8.614 -11.871 5.213 1.00 0.00 H new ATOM 0 HB2 GLU A 29 8.582 -12.668 7.484 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.146 -13.988 6.479 1.00 0.00 H new ATOM 0 HG2 GLU A 29 11.546 -12.916 7.131 1.00 0.00 H new ATOM 0 HG3 GLU A 29 10.631 -12.369 8.521 1.00 0.00 H new ATOM 460 N LYS A 30 11.316 -10.397 6.314 1.00 0.00 N ATOM 461 CA LYS A 30 11.920 -9.143 6.714 1.00 0.00 C ATOM 462 C LYS A 30 11.701 -8.045 5.701 1.00 0.00 C ATOM 463 O LYS A 30 11.471 -6.899 6.047 1.00 0.00 O ATOM 464 CB LYS A 30 13.413 -9.425 6.912 1.00 0.00 C ATOM 465 CG LYS A 30 13.608 -10.509 7.992 1.00 0.00 C ATOM 466 CD LYS A 30 15.013 -11.132 8.062 1.00 0.00 C ATOM 467 CE LYS A 30 14.927 -12.564 8.628 1.00 0.00 C ATOM 468 NZ LYS A 30 14.246 -13.492 7.695 1.00 0.00 N ATOM 0 H LYS A 30 12.008 -11.139 6.209 1.00 0.00 H new ATOM 0 HA LYS A 30 11.457 -8.781 7.632 1.00 0.00 H new ATOM 0 HB2 LYS A 30 13.857 -9.753 5.972 1.00 0.00 H new ATOM 0 HB3 LYS A 30 13.928 -8.511 7.206 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.374 -10.075 8.964 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.885 -11.306 7.816 1.00 0.00 H new ATOM 0 HD2 LYS A 30 15.461 -11.151 7.069 1.00 0.00 H new ATOM 0 HD3 LYS A 30 15.660 -10.521 8.692 1.00 0.00 H new ATOM 0 HE2 LYS A 30 15.932 -12.932 8.836 1.00 0.00 H new ATOM 0 HE3 LYS A 30 14.391 -12.547 9.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.721 -14.207 8.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.585 -12.958 7.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.954 -13.963 7.096 1.00 0.00 H new ATOM 482 N LYS A 31 11.773 -8.411 4.435 1.00 0.00 N ATOM 483 CA LYS A 31 11.444 -7.593 3.313 1.00 0.00 C ATOM 484 C LYS A 31 9.984 -7.149 3.370 1.00 0.00 C ATOM 485 O LYS A 31 9.676 -6.023 2.995 1.00 0.00 O ATOM 486 CB LYS A 31 11.724 -8.448 2.074 1.00 0.00 C ATOM 487 CG LYS A 31 12.140 -7.570 0.917 1.00 0.00 C ATOM 488 CD LYS A 31 11.912 -8.306 -0.410 1.00 0.00 C ATOM 489 CE LYS A 31 12.293 -7.469 -1.637 1.00 0.00 C ATOM 490 NZ LYS A 31 11.755 -8.098 -2.857 1.00 0.00 N ATOM 0 H LYS A 31 12.082 -9.344 4.161 1.00 0.00 H new ATOM 0 HA LYS A 31 12.035 -6.677 3.297 1.00 0.00 H new ATOM 0 HB2 LYS A 31 12.510 -9.171 2.292 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.833 -9.016 1.807 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.568 -6.642 0.930 1.00 0.00 H new ATOM 0 HG3 LYS A 31 13.191 -7.298 1.016 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.494 -9.228 -0.412 1.00 0.00 H new ATOM 0 HD3 LYS A 31 10.863 -8.591 -0.484 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.900 -6.457 -1.535 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.377 -7.384 -1.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.252 -7.722 -3.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.893 -9.128 -2.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.739 -7.888 -2.937 1.00 0.00 H new ATOM 504 N GLN A 32 9.083 -8.035 3.799 1.00 0.00 N ATOM 505 CA GLN A 32 7.691 -7.671 3.967 1.00 0.00 C ATOM 506 C GLN A 32 7.528 -6.764 5.175 1.00 0.00 C ATOM 507 O GLN A 32 6.789 -5.801 5.053 1.00 0.00 O ATOM 508 CB GLN A 32 6.769 -8.896 4.046 1.00 0.00 C ATOM 509 CG GLN A 32 7.005 -9.854 2.866 1.00 0.00 C ATOM 510 CD GLN A 32 5.779 -10.696 2.514 1.00 0.00 C ATOM 511 OE1 GLN A 32 4.644 -10.251 2.601 1.00 0.00 O ATOM 512 NE2 GLN A 32 5.986 -11.923 2.068 1.00 0.00 N ATOM 0 H GLN A 32 9.300 -9.004 4.033 1.00 0.00 H new ATOM 0 HA GLN A 32 7.383 -7.121 3.078 1.00 0.00 H new ATOM 0 HB2 GLN A 32 6.942 -9.423 4.984 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.729 -8.571 4.050 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.302 -9.275 1.992 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.836 -10.518 3.107 1.00 0.00 H new ATOM 0 HE21 GLN A 32 6.936 -12.287 1.998 1.00 0.00 H new ATOM 0 HE22 GLN A 32 5.195 -12.506 1.793 1.00 0.00 H new ATOM 521 N ASP A 33 8.219 -7.018 6.289 1.00 0.00 N ATOM 522 CA ASP A 33 8.219 -6.120 7.465 1.00 0.00 C ATOM 523 C ASP A 33 8.696 -4.710 7.103 1.00 0.00 C ATOM 524 O ASP A 33 8.106 -3.714 7.519 1.00 0.00 O ATOM 525 CB ASP A 33 9.145 -6.702 8.546 1.00 0.00 C ATOM 526 CG ASP A 33 8.840 -6.209 9.965 1.00 0.00 C ATOM 527 OD1 ASP A 33 7.646 -6.223 10.342 1.00 0.00 O ATOM 528 OD2 ASP A 33 9.818 -5.946 10.703 1.00 0.00 O ATOM 0 H ASP A 33 8.797 -7.850 6.409 1.00 0.00 H new ATOM 0 HA ASP A 33 7.195 -6.047 7.833 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.069 -7.789 8.527 1.00 0.00 H new ATOM 0 HB3 ASP A 33 10.176 -6.450 8.299 1.00 0.00 H new ATOM 533 N ASP A 34 9.730 -4.639 6.264 1.00 0.00 N ATOM 534 CA ASP A 34 10.349 -3.405 5.774 1.00 0.00 C ATOM 535 C ASP A 34 9.353 -2.615 4.921 1.00 0.00 C ATOM 536 O ASP A 34 9.126 -1.425 5.147 1.00 0.00 O ATOM 537 CB ASP A 34 11.630 -3.757 4.989 1.00 0.00 C ATOM 538 CG ASP A 34 12.324 -2.581 4.280 1.00 0.00 C ATOM 539 OD1 ASP A 34 13.157 -1.910 4.931 1.00 0.00 O ATOM 540 OD2 ASP A 34 12.150 -2.455 3.044 1.00 0.00 O ATOM 0 H ASP A 34 10.179 -5.475 5.891 1.00 0.00 H new ATOM 0 HA ASP A 34 10.628 -2.768 6.614 1.00 0.00 H new ATOM 0 HB2 ASP A 34 12.342 -4.213 5.677 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.381 -4.511 4.242 1.00 0.00 H new ATOM 545 N ASN A 35 8.657 -3.305 4.010 1.00 0.00 N ATOM 546 CA ASN A 35 7.454 -2.771 3.378 1.00 0.00 C ATOM 547 C ASN A 35 6.413 -2.373 4.407 1.00 0.00 C ATOM 548 O ASN A 35 5.713 -1.406 4.162 1.00 0.00 O ATOM 549 CB ASN A 35 6.824 -3.784 2.404 1.00 0.00 C ATOM 550 CG ASN A 35 5.347 -3.472 2.140 1.00 0.00 C ATOM 551 OD1 ASN A 35 5.001 -2.799 1.181 1.00 0.00 O ATOM 552 ND2 ASN A 35 4.436 -3.946 2.982 1.00 0.00 N ATOM 0 H ASN A 35 8.912 -4.241 3.695 1.00 0.00 H new ATOM 0 HA ASN A 35 7.769 -1.888 2.822 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.372 -3.773 1.462 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.916 -4.790 2.815 1.00 0.00 H new ATOM 0 HD21 ASN A 35 3.447 -3.748 2.828 1.00 0.00 H new ATOM 0 HD22 ASN A 35 4.725 -4.508 3.783 1.00 0.00 H new ATOM 559 N LEU A 36 6.170 -3.157 5.451 1.00 0.00 N ATOM 560 CA LEU A 36 4.955 -3.066 6.222 1.00 0.00 C ATOM 561 C LEU A 36 4.896 -1.815 7.071 1.00 0.00 C ATOM 562 O LEU A 36 3.855 -1.162 7.089 1.00 0.00 O ATOM 563 CB LEU A 36 4.733 -4.401 6.950 1.00 0.00 C ATOM 564 CG LEU A 36 3.833 -5.360 6.163 1.00 0.00 C ATOM 565 CD1 LEU A 36 3.667 -6.669 6.936 1.00 0.00 C ATOM 566 CD2 LEU A 36 2.462 -4.784 5.804 1.00 0.00 C ATOM 0 H LEU A 36 6.818 -3.873 5.780 1.00 0.00 H new ATOM 0 HA LEU A 36 4.094 -2.929 5.568 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.697 -4.878 7.129 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.287 -4.209 7.926 1.00 0.00 H new ATOM 0 HG LEU A 36 4.338 -5.537 5.214 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.026 -7.346 6.371 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.643 -7.131 7.083 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.213 -6.464 7.906 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.889 -5.527 5.249 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.927 -4.522 6.717 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.591 -3.892 5.190 1.00 0.00 H new ATOM 578 N GLU A 37 6.030 -1.403 7.624 1.00 0.00 N ATOM 579 CA GLU A 37 6.207 -0.044 8.151 1.00 0.00 C ATOM 580 C GLU A 37 5.813 0.939 7.068 1.00 0.00 C ATOM 581 O GLU A 37 4.984 1.810 7.301 1.00 0.00 O ATOM 582 CB GLU A 37 7.668 0.193 8.588 1.00 0.00 C ATOM 583 CG GLU A 37 7.945 1.560 9.261 1.00 0.00 C ATOM 584 CD GLU A 37 7.906 2.825 8.369 1.00 0.00 C ATOM 585 OE1 GLU A 37 8.315 2.782 7.186 1.00 0.00 O ATOM 586 OE2 GLU A 37 7.492 3.888 8.892 1.00 0.00 O ATOM 0 H GLU A 37 6.855 -1.995 7.723 1.00 0.00 H new ATOM 0 HA GLU A 37 5.578 0.093 9.030 1.00 0.00 H new ATOM 0 HB2 GLU A 37 7.956 -0.599 9.280 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.311 0.101 7.713 1.00 0.00 H new ATOM 0 HG2 GLU A 37 7.218 1.692 10.062 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.928 1.510 9.728 1.00 0.00 H new ATOM 593 N HIS A 38 6.361 0.775 5.873 1.00 0.00 N ATOM 594 CA HIS A 38 6.193 1.726 4.804 1.00 0.00 C ATOM 595 C HIS A 38 4.730 1.855 4.356 1.00 0.00 C ATOM 596 O HIS A 38 4.215 2.957 4.191 1.00 0.00 O ATOM 597 CB HIS A 38 7.130 1.320 3.673 1.00 0.00 C ATOM 598 CG HIS A 38 7.499 2.530 2.905 1.00 0.00 C ATOM 599 ND1 HIS A 38 8.266 3.558 3.395 1.00 0.00 N ATOM 600 CD2 HIS A 38 6.987 2.878 1.694 1.00 0.00 C ATOM 601 CE1 HIS A 38 8.250 4.526 2.470 1.00 0.00 C ATOM 602 NE2 HIS A 38 7.510 4.146 1.411 1.00 0.00 N ATOM 0 H HIS A 38 6.937 -0.029 5.624 1.00 0.00 H new ATOM 0 HA HIS A 38 6.456 2.726 5.150 1.00 0.00 H new ATOM 0 HB2 HIS A 38 8.023 0.841 4.075 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.644 0.593 3.022 1.00 0.00 H new ATOM 0 HD1 HIS A 38 8.754 3.580 4.291 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.316 2.297 1.078 1.00 0.00 H new ATOM 0 HE1 HIS A 38 8.758 5.475 2.560 1.00 0.00 H new ATOM 610 N PHE A 39 4.043 0.732 4.183 1.00 0.00 N ATOM 611 CA PHE A 39 2.607 0.588 3.958 1.00 0.00 C ATOM 612 C PHE A 39 1.753 1.165 5.103 1.00 0.00 C ATOM 613 O PHE A 39 0.558 1.387 4.903 1.00 0.00 O ATOM 614 CB PHE A 39 2.313 -0.906 3.787 1.00 0.00 C ATOM 615 CG PHE A 39 0.865 -1.242 3.481 1.00 0.00 C ATOM 616 CD1 PHE A 39 0.168 -0.512 2.503 1.00 0.00 C ATOM 617 CD2 PHE A 39 0.212 -2.297 4.147 1.00 0.00 C ATOM 618 CE1 PHE A 39 -1.164 -0.820 2.194 1.00 0.00 C ATOM 619 CE2 PHE A 39 -1.121 -2.607 3.830 1.00 0.00 C ATOM 620 CZ PHE A 39 -1.824 -1.841 2.896 1.00 0.00 C ATOM 0 H PHE A 39 4.512 -0.174 4.197 1.00 0.00 H new ATOM 0 HA PHE A 39 2.339 1.157 3.068 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.938 -1.295 2.983 1.00 0.00 H new ATOM 0 HB3 PHE A 39 2.606 -1.426 4.699 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.664 0.295 1.984 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.735 -2.867 4.900 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.681 -0.274 1.419 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -1.606 -3.443 4.311 1.00 0.00 H new ATOM 0 HZ PHE A 39 -2.871 -2.034 2.715 1.00 0.00 H new ATOM 630 N ILE A 40 2.301 1.433 6.284 1.00 0.00 N ATOM 631 CA ILE A 40 1.670 2.385 7.210 1.00 0.00 C ATOM 632 C ILE A 40 2.071 3.788 6.754 1.00 0.00 C ATOM 633 O ILE A 40 1.215 4.643 6.503 1.00 0.00 O ATOM 634 CB ILE A 40 2.060 2.140 8.706 1.00 0.00 C ATOM 635 CG1 ILE A 40 1.175 1.057 9.346 1.00 0.00 C ATOM 636 CG2 ILE A 40 1.882 3.392 9.596 1.00 0.00 C ATOM 637 CD1 ILE A 40 1.599 -0.317 8.863 1.00 0.00 C ATOM 0 H ILE A 40 3.167 1.015 6.625 1.00 0.00 H new ATOM 0 HA ILE A 40 0.588 2.254 7.178 1.00 0.00 H new ATOM 0 HB ILE A 40 3.109 1.847 8.666 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.252 1.109 10.432 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.130 1.234 9.092 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.170 3.154 10.620 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.512 4.198 9.220 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.839 3.707 9.576 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.966 -1.076 9.323 1.00 0.00 H new ATOM 0 HD12 ILE A 40 1.499 -0.369 7.779 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.638 -0.495 9.140 1.00 0.00 H new ATOM 649 N SER A 41 3.381 3.994 6.664 1.00 0.00 N ATOM 650 CA SER A 41 4.044 5.263 6.695 1.00 0.00 C ATOM 651 C SER A 41 3.539 6.243 5.633 1.00 0.00 C ATOM 652 O SER A 41 2.988 7.289 5.977 1.00 0.00 O ATOM 653 CB SER A 41 5.567 5.059 6.647 1.00 0.00 C ATOM 654 OG SER A 41 6.227 5.789 7.657 1.00 0.00 O ATOM 0 H SER A 41 4.037 3.220 6.561 1.00 0.00 H new ATOM 0 HA SER A 41 3.793 5.743 7.641 1.00 0.00 H new ATOM 0 HB2 SER A 41 5.795 3.999 6.757 1.00 0.00 H new ATOM 0 HB3 SER A 41 5.944 5.366 5.672 1.00 0.00 H new ATOM 0 HG SER A 41 6.608 5.169 8.313 1.00 0.00 H new ATOM 660 N VAL A 42 3.708 5.947 4.334 1.00 0.00 N ATOM 661 CA VAL A 42 3.248 6.774 3.266 1.00 0.00 C ATOM 662 C VAL A 42 1.733 6.862 3.257 1.00 0.00 C ATOM 663 O VAL A 42 1.178 7.905 2.902 1.00 0.00 O ATOM 664 CB VAL A 42 3.806 6.210 1.980 1.00 0.00 C ATOM 665 CG1 VAL A 42 5.132 6.881 1.670 1.00 0.00 C ATOM 666 CG2 VAL A 42 3.932 4.709 1.769 1.00 0.00 C ATOM 0 H VAL A 42 4.182 5.102 4.016 1.00 0.00 H new ATOM 0 HA VAL A 42 3.599 7.798 3.390 1.00 0.00 H new ATOM 0 HB VAL A 42 3.001 6.445 1.283 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.537 6.476 0.743 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.980 7.955 1.561 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.833 6.695 2.484 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.354 4.514 0.783 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.585 4.288 2.533 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.947 4.248 1.840 1.00 0.00 H new ATOM 676 N THR A 43 1.073 5.750 3.563 1.00 0.00 N ATOM 677 CA THR A 43 -0.329 5.556 3.368 1.00 0.00 C ATOM 678 C THR A 43 -1.140 6.470 4.259 1.00 0.00 C ATOM 679 O THR A 43 -2.232 6.861 3.852 1.00 0.00 O ATOM 680 CB THR A 43 -0.639 4.085 3.563 1.00 0.00 C ATOM 681 OG1 THR A 43 0.484 3.293 3.242 1.00 0.00 O ATOM 682 CG2 THR A 43 -1.715 3.646 2.603 1.00 0.00 C ATOM 0 H THR A 43 1.534 4.936 3.969 1.00 0.00 H new ATOM 0 HA THR A 43 -0.615 5.830 2.352 1.00 0.00 H new ATOM 0 HB THR A 43 -0.939 3.961 4.604 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.357 2.387 3.593 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.928 2.588 2.754 1.00 0.00 H new ATOM 0 HG22 THR A 43 -2.620 4.227 2.780 1.00 0.00 H new ATOM 0 HG23 THR A 43 -1.376 3.806 1.579 1.00 0.00 H new ATOM 690 N GLU A 44 -0.622 6.815 5.443 1.00 0.00 N ATOM 691 CA GLU A 44 -1.324 7.514 6.520 1.00 0.00 C ATOM 692 C GLU A 44 -2.567 6.710 6.966 1.00 0.00 C ATOM 693 O GLU A 44 -3.299 7.146 7.852 1.00 0.00 O ATOM 694 CB GLU A 44 -1.630 8.983 6.116 1.00 0.00 C ATOM 695 CG GLU A 44 -0.375 9.846 5.836 1.00 0.00 C ATOM 696 CD GLU A 44 -0.624 10.992 4.835 1.00 0.00 C ATOM 697 OE1 GLU A 44 -1.617 11.738 4.973 1.00 0.00 O ATOM 698 OE2 GLU A 44 0.118 11.083 3.822 1.00 0.00 O ATOM 0 H GLU A 44 0.346 6.603 5.686 1.00 0.00 H new ATOM 0 HA GLU A 44 -0.679 7.579 7.396 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -2.258 8.978 5.225 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -2.208 9.453 6.912 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -0.017 10.267 6.776 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.418 9.205 5.451 1.00 0.00 H new ATOM 705 N HIS A 45 -2.792 5.530 6.369 1.00 0.00 N ATOM 706 CA HIS A 45 -3.968 4.693 6.509 1.00 0.00 C ATOM 707 C HIS A 45 -3.821 3.966 7.855 1.00 0.00 C ATOM 708 O HIS A 45 -2.931 3.126 7.979 1.00 0.00 O ATOM 709 CB HIS A 45 -4.125 3.723 5.305 1.00 0.00 C ATOM 710 CG HIS A 45 -5.450 2.986 5.327 1.00 0.00 C ATOM 711 ND1 HIS A 45 -5.881 2.230 6.395 1.00 0.00 N ATOM 712 CD2 HIS A 45 -6.465 2.992 4.389 1.00 0.00 C ATOM 713 CE1 HIS A 45 -7.153 1.875 6.163 1.00 0.00 C ATOM 714 NE2 HIS A 45 -7.533 2.301 4.958 1.00 0.00 N ATOM 0 H HIS A 45 -2.106 5.118 5.737 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.884 5.284 6.504 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.040 4.285 4.375 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.310 3.000 5.316 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.436 3.443 3.408 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.778 1.325 6.851 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -8.445 2.148 4.528 1.00 0.00 H new ATOM 722 N PRO A 46 -4.661 4.245 8.869 1.00 0.00 N ATOM 723 CA PRO A 46 -4.497 3.729 10.224 1.00 0.00 C ATOM 724 C PRO A 46 -4.533 2.201 10.276 1.00 0.00 C ATOM 725 O PRO A 46 -3.772 1.598 11.024 1.00 0.00 O ATOM 726 CB PRO A 46 -5.611 4.374 11.061 1.00 0.00 C ATOM 727 CG PRO A 46 -6.601 4.957 10.048 1.00 0.00 C ATOM 728 CD PRO A 46 -5.771 5.164 8.797 1.00 0.00 C ATOM 0 HA PRO A 46 -3.515 3.986 10.622 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.095 3.638 11.703 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.212 5.152 11.712 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -7.433 4.276 9.866 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.028 5.895 10.403 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.367 4.979 7.904 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.416 6.193 8.736 1.00 0.00 H new ATOM 736 N SER A 47 -5.380 1.578 9.458 1.00 0.00 N ATOM 737 CA SER A 47 -5.502 0.132 9.305 1.00 0.00 C ATOM 738 C SER A 47 -4.418 -0.437 8.368 1.00 0.00 C ATOM 739 O SER A 47 -4.626 -1.471 7.740 1.00 0.00 O ATOM 740 CB SER A 47 -6.916 -0.200 8.800 1.00 0.00 C ATOM 741 OG SER A 47 -7.891 0.736 9.244 1.00 0.00 O ATOM 0 H SER A 47 -6.027 2.091 8.859 1.00 0.00 H new ATOM 0 HA SER A 47 -5.347 -0.341 10.275 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.912 -0.225 7.710 1.00 0.00 H new ATOM 0 HB3 SER A 47 -7.194 -1.197 9.140 1.00 0.00 H new ATOM 0 HG SER A 47 -8.771 0.482 8.895 1.00 0.00 H new ATOM 747 N GLY A 48 -3.294 0.259 8.175 1.00 0.00 N ATOM 748 CA GLY A 48 -2.136 -0.284 7.473 1.00 0.00 C ATOM 749 C GLY A 48 -1.861 -1.720 7.930 1.00 0.00 C ATOM 750 O GLY A 48 -1.863 -2.022 9.121 1.00 0.00 O ATOM 0 H GLY A 48 -3.165 1.216 8.503 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.313 -0.265 6.398 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.262 0.339 7.663 1.00 0.00 H new ATOM 754 N SER A 49 -1.680 -2.609 6.957 1.00 0.00 N ATOM 755 CA SER A 49 -1.519 -4.056 7.072 1.00 0.00 C ATOM 756 C SER A 49 -2.783 -4.833 7.438 1.00 0.00 C ATOM 757 O SER A 49 -2.846 -6.020 7.125 1.00 0.00 O ATOM 758 CB SER A 49 -0.380 -4.397 8.040 1.00 0.00 C ATOM 759 OG SER A 49 0.162 -5.667 7.750 1.00 0.00 O ATOM 0 H SER A 49 -1.639 -2.309 5.983 1.00 0.00 H new ATOM 0 HA SER A 49 -1.271 -4.387 6.063 1.00 0.00 H new ATOM 0 HB2 SER A 49 0.401 -3.639 7.971 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.751 -4.380 9.065 1.00 0.00 H new ATOM 0 HG SER A 49 -0.204 -6.329 8.373 1.00 0.00 H new ATOM 765 N ASP A 50 -3.805 -4.211 8.013 1.00 0.00 N ATOM 766 CA ASP A 50 -5.085 -4.859 8.311 1.00 0.00 C ATOM 767 C ASP A 50 -5.775 -5.259 7.005 1.00 0.00 C ATOM 768 O ASP A 50 -6.345 -6.341 6.898 1.00 0.00 O ATOM 769 CB ASP A 50 -5.938 -3.868 9.118 1.00 0.00 C ATOM 770 CG ASP A 50 -7.035 -4.497 9.969 1.00 0.00 C ATOM 771 OD1 ASP A 50 -6.736 -5.514 10.632 1.00 0.00 O ATOM 772 OD2 ASP A 50 -8.111 -3.864 10.047 1.00 0.00 O ATOM 0 H ASP A 50 -3.772 -3.230 8.291 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.939 -5.767 8.896 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.280 -3.294 9.770 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.397 -3.162 8.426 1.00 0.00 H new ATOM 777 N LEU A 51 -5.592 -4.458 5.946 1.00 0.00 N ATOM 778 CA LEU A 51 -6.141 -4.698 4.618 1.00 0.00 C ATOM 779 C LEU A 51 -5.426 -5.844 3.901 1.00 0.00 C ATOM 780 O LEU A 51 -5.882 -6.258 2.837 1.00 0.00 O ATOM 781 CB LEU A 51 -5.992 -3.411 3.781 1.00 0.00 C ATOM 782 CG LEU A 51 -6.980 -2.262 4.059 1.00 0.00 C ATOM 783 CD1 LEU A 51 -8.418 -2.741 4.260 1.00 0.00 C ATOM 784 CD2 LEU A 51 -6.576 -1.427 5.269 1.00 0.00 C ATOM 0 H LEU A 51 -5.040 -3.602 5.999 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.189 -4.976 4.729 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.982 -3.029 3.929 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.079 -3.682 2.729 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.939 -1.645 3.161 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.064 -1.884 4.452 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.758 -3.258 3.363 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.459 -3.423 5.109 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.305 -0.631 5.422 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.542 -2.062 6.154 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.592 -0.990 5.097 1.00 0.00 H new ATOM 796 N ILE A 52 -4.306 -6.316 4.452 1.00 0.00 N ATOM 797 CA ILE A 52 -3.448 -7.346 3.887 1.00 0.00 C ATOM 798 C ILE A 52 -3.631 -8.630 4.708 1.00 0.00 C ATOM 799 O ILE A 52 -3.742 -9.708 4.130 1.00 0.00 O ATOM 800 CB ILE A 52 -2.003 -6.806 3.805 1.00 0.00 C ATOM 801 CG1 ILE A 52 -1.887 -5.951 2.522 1.00 0.00 C ATOM 802 CG2 ILE A 52 -0.855 -7.833 3.918 1.00 0.00 C ATOM 803 CD1 ILE A 52 -0.482 -5.416 2.246 1.00 0.00 C ATOM 0 H ILE A 52 -3.961 -5.970 5.347 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.715 -7.606 2.863 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.853 -6.214 4.708 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.208 -6.550 1.670 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.575 -5.109 2.597 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.103 -7.318 3.844 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.918 -8.346 4.878 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.938 -8.562 3.112 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.490 -4.828 1.328 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.162 -4.787 3.077 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.210 -6.251 2.135 1.00 0.00 H new ATOM 815 N TYR A 53 -3.669 -8.532 6.044 1.00 0.00 N ATOM 816 CA TYR A 53 -3.733 -9.679 6.931 1.00 0.00 C ATOM 817 C TYR A 53 -5.163 -10.103 7.257 1.00 0.00 C ATOM 818 O TYR A 53 -5.418 -11.307 7.330 1.00 0.00 O ATOM 819 CB TYR A 53 -2.986 -9.343 8.229 1.00 0.00 C ATOM 820 CG TYR A 53 -1.465 -9.302 8.173 1.00 0.00 C ATOM 821 CD1 TYR A 53 -0.737 -10.222 7.389 1.00 0.00 C ATOM 822 CD2 TYR A 53 -0.766 -8.385 8.985 1.00 0.00 C ATOM 823 CE1 TYR A 53 0.668 -10.231 7.417 1.00 0.00 C ATOM 824 CE2 TYR A 53 0.643 -8.391 9.019 1.00 0.00 C ATOM 825 CZ TYR A 53 1.365 -9.322 8.238 1.00 0.00 C ATOM 826 OH TYR A 53 2.724 -9.369 8.280 1.00 0.00 O ATOM 0 H TYR A 53 -3.656 -7.638 6.535 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.267 -10.519 6.416 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.336 -8.371 8.577 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.275 -10.075 8.983 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.264 -10.926 6.762 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.314 -7.673 9.585 1.00 0.00 H new ATOM 0 HE1 TYR A 53 1.215 -10.936 6.808 1.00 0.00 H new ATOM 0 HE2 TYR A 53 1.171 -7.684 9.642 1.00 0.00 H new ATOM 0 HH TYR A 53 3.056 -8.678 8.891 1.00 0.00 H new ATOM 836 N TYR A 54 -6.084 -9.160 7.481 1.00 0.00 N ATOM 837 CA TYR A 54 -7.413 -9.458 8.014 1.00 0.00 C ATOM 838 C TYR A 54 -8.534 -8.828 7.165 1.00 0.00 C ATOM 839 O TYR A 54 -9.456 -8.234 7.724 1.00 0.00 O ATOM 840 CB TYR A 54 -7.449 -9.026 9.494 1.00 0.00 C ATOM 841 CG TYR A 54 -6.302 -9.562 10.343 1.00 0.00 C ATOM 842 CD1 TYR A 54 -6.109 -10.950 10.489 1.00 0.00 C ATOM 843 CD2 TYR A 54 -5.395 -8.670 10.945 1.00 0.00 C ATOM 844 CE1 TYR A 54 -5.013 -11.443 11.221 1.00 0.00 C ATOM 845 CE2 TYR A 54 -4.294 -9.151 11.674 1.00 0.00 C ATOM 846 CZ TYR A 54 -4.097 -10.544 11.809 1.00 0.00 C ATOM 847 OH TYR A 54 -3.020 -11.023 12.492 1.00 0.00 O ATOM 0 H TYR A 54 -5.927 -8.169 7.297 1.00 0.00 H new ATOM 0 HA TYR A 54 -7.603 -10.530 7.961 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -7.439 -7.937 9.541 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -8.391 -9.355 9.932 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -6.806 -11.640 10.036 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -5.547 -7.605 10.846 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.873 -12.508 11.333 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -3.601 -8.459 12.129 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.489 -10.273 12.833 1.00 0.00 H new ATOM 857 N PRO A 55 -8.507 -8.940 5.822 1.00 0.00 N ATOM 858 CA PRO A 55 -9.481 -8.266 4.979 1.00 0.00 C ATOM 859 C PRO A 55 -10.874 -8.889 5.123 1.00 0.00 C ATOM 860 O PRO A 55 -11.030 -10.104 5.256 1.00 0.00 O ATOM 861 CB PRO A 55 -8.941 -8.435 3.561 1.00 0.00 C ATOM 862 CG PRO A 55 -8.255 -9.779 3.611 1.00 0.00 C ATOM 863 CD PRO A 55 -7.619 -9.755 5.000 1.00 0.00 C ATOM 0 HA PRO A 55 -9.604 -7.218 5.252 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -9.741 -8.419 2.821 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.246 -7.638 3.297 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -8.960 -10.602 3.499 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.510 -9.887 2.822 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -7.524 -10.762 5.405 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -6.616 -9.329 4.965 1.00 0.00 H new ATOM 871 N GLU A 56 -11.903 -8.053 5.008 1.00 0.00 N ATOM 872 CA GLU A 56 -13.292 -8.407 5.050 1.00 0.00 C ATOM 873 C GLU A 56 -14.130 -7.421 4.242 1.00 0.00 C ATOM 874 O GLU A 56 -13.618 -6.563 3.542 1.00 0.00 O ATOM 875 CB GLU A 56 -13.764 -8.402 6.491 1.00 0.00 C ATOM 876 CG GLU A 56 -13.946 -7.044 7.202 1.00 0.00 C ATOM 877 CD GLU A 56 -15.358 -6.949 7.821 1.00 0.00 C ATOM 878 OE1 GLU A 56 -16.333 -7.143 7.051 1.00 0.00 O ATOM 879 OE2 GLU A 56 -15.475 -6.727 9.045 1.00 0.00 O ATOM 0 H GLU A 56 -11.764 -7.051 4.875 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.412 -9.400 4.617 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -14.719 -8.926 6.529 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -13.055 -8.989 7.074 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.192 -6.929 7.980 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -13.797 -6.231 6.492 1.00 0.00 H new ATOM 886 N GLY A 57 -15.443 -7.484 4.380 1.00 0.00 N ATOM 887 CA GLY A 57 -16.282 -6.393 3.887 1.00 0.00 C ATOM 888 C GLY A 57 -16.503 -6.384 2.384 1.00 0.00 C ATOM 889 O GLY A 57 -16.846 -5.355 1.807 1.00 0.00 O ATOM 0 H GLY A 57 -15.946 -8.256 4.817 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -17.252 -6.448 4.382 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -15.829 -5.446 4.178 1.00 0.00 H new ATOM 893 N ASN A 58 -16.312 -7.541 1.752 1.00 0.00 N ATOM 894 CA ASN A 58 -16.177 -7.711 0.305 1.00 0.00 C ATOM 895 C ASN A 58 -14.890 -7.064 -0.228 1.00 0.00 C ATOM 896 O ASN A 58 -14.733 -6.931 -1.443 1.00 0.00 O ATOM 897 CB ASN A 58 -17.430 -7.254 -0.465 1.00 0.00 C ATOM 898 CG ASN A 58 -17.660 -8.021 -1.717 1.00 0.00 C ATOM 899 OD1 ASN A 58 -18.386 -9.007 -1.768 1.00 0.00 O ATOM 900 ND2 ASN A 58 -17.082 -7.552 -2.773 1.00 0.00 N ATOM 0 H ASN A 58 -16.244 -8.425 2.256 1.00 0.00 H new ATOM 0 HA ASN A 58 -16.090 -8.782 0.123 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -18.302 -7.355 0.181 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -17.334 -6.196 -0.707 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -17.225 -8.004 -3.676 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -16.482 -6.730 -2.704 1.00 0.00 H new ATOM 907 N ASN A 59 -13.978 -6.651 0.659 1.00 0.00 N ATOM 908 CA ASN A 59 -12.570 -6.464 0.278 1.00 0.00 C ATOM 909 C ASN A 59 -12.105 -7.796 -0.303 1.00 0.00 C ATOM 910 O ASN A 59 -12.281 -8.829 0.343 1.00 0.00 O ATOM 911 CB ASN A 59 -11.742 -6.107 1.514 1.00 0.00 C ATOM 912 CG ASN A 59 -10.266 -5.873 1.310 1.00 0.00 C ATOM 913 OD1 ASN A 59 -9.761 -5.832 0.195 1.00 0.00 O ATOM 914 ND2 ASN A 59 -9.566 -5.760 2.428 1.00 0.00 N ATOM 0 H ASN A 59 -14.184 -6.441 1.636 1.00 0.00 H new ATOM 0 HA ASN A 59 -12.453 -5.656 -0.445 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -12.169 -5.208 1.958 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -11.859 -6.909 2.243 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.555 -5.632 2.386 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -10.038 -5.801 3.331 1.00 0.00 H new ATOM 921 N ASP A 60 -11.569 -7.790 -1.524 1.00 0.00 N ATOM 922 CA ASP A 60 -11.072 -9.003 -2.172 1.00 0.00 C ATOM 923 C ASP A 60 -9.736 -9.415 -1.544 1.00 0.00 C ATOM 924 O ASP A 60 -9.261 -10.528 -1.740 1.00 0.00 O ATOM 925 CB ASP A 60 -10.917 -8.728 -3.674 1.00 0.00 C ATOM 926 CG ASP A 60 -10.651 -9.994 -4.492 1.00 0.00 C ATOM 927 OD1 ASP A 60 -11.606 -10.783 -4.669 1.00 0.00 O ATOM 928 OD2 ASP A 60 -9.522 -10.103 -5.026 1.00 0.00 O ATOM 0 H ASP A 60 -11.468 -6.947 -2.089 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.775 -9.825 -2.032 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.822 -8.247 -4.044 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -10.098 -8.026 -3.826 1.00 0.00 H new ATOM 933 N GLY A 61 -9.117 -8.503 -0.781 1.00 0.00 N ATOM 934 CA GLY A 61 -7.793 -8.658 -0.214 1.00 0.00 C ATOM 935 C GLY A 61 -6.699 -8.684 -1.281 1.00 0.00 C ATOM 936 O GLY A 61 -5.530 -8.877 -0.951 1.00 0.00 O ATOM 0 H GLY A 61 -9.549 -7.611 -0.540 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.600 -7.840 0.480 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -7.755 -9.581 0.364 1.00 0.00 H new ATOM 940 N SER A 62 -7.037 -8.480 -2.561 1.00 0.00 N ATOM 941 CA SER A 62 -6.059 -8.481 -3.613 1.00 0.00 C ATOM 942 C SER A 62 -5.253 -7.183 -3.524 1.00 0.00 C ATOM 943 O SER A 62 -5.750 -6.166 -3.033 1.00 0.00 O ATOM 944 CB SER A 62 -6.813 -8.582 -4.937 1.00 0.00 C ATOM 945 OG SER A 62 -6.990 -9.922 -5.322 1.00 0.00 O ATOM 0 H SER A 62 -7.992 -8.313 -2.876 1.00 0.00 H new ATOM 0 HA SER A 62 -5.366 -9.318 -3.531 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.785 -8.097 -4.843 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.264 -8.048 -5.712 1.00 0.00 H new ATOM 0 HG SER A 62 -7.928 -10.176 -5.200 1.00 0.00 H new ATOM 951 N PRO A 63 -4.056 -7.128 -4.126 1.00 0.00 N ATOM 952 CA PRO A 63 -3.287 -5.895 -4.192 1.00 0.00 C ATOM 953 C PRO A 63 -3.985 -4.822 -5.040 1.00 0.00 C ATOM 954 O PRO A 63 -3.595 -3.656 -5.035 1.00 0.00 O ATOM 955 CB PRO A 63 -1.927 -6.315 -4.754 1.00 0.00 C ATOM 956 CG PRO A 63 -2.233 -7.571 -5.570 1.00 0.00 C ATOM 957 CD PRO A 63 -3.356 -8.225 -4.773 1.00 0.00 C ATOM 0 HA PRO A 63 -3.181 -5.422 -3.216 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.493 -5.532 -5.376 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.213 -6.522 -3.957 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.546 -7.328 -6.585 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.363 -8.222 -5.652 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.024 -8.788 -5.424 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.960 -8.927 -4.039 1.00 0.00 H new ATOM 965 N GLU A 64 -5.009 -5.179 -5.811 1.00 0.00 N ATOM 966 CA GLU A 64 -5.906 -4.216 -6.430 1.00 0.00 C ATOM 967 C GLU A 64 -6.741 -3.523 -5.373 1.00 0.00 C ATOM 968 O GLU A 64 -6.742 -2.300 -5.269 1.00 0.00 O ATOM 969 CB GLU A 64 -6.753 -4.930 -7.490 1.00 0.00 C ATOM 970 CG GLU A 64 -7.953 -5.824 -7.129 1.00 0.00 C ATOM 971 CD GLU A 64 -9.276 -5.045 -7.052 1.00 0.00 C ATOM 972 OE1 GLU A 64 -9.603 -4.288 -7.990 1.00 0.00 O ATOM 973 OE2 GLU A 64 -9.942 -5.084 -5.997 1.00 0.00 O ATOM 0 H GLU A 64 -5.238 -6.150 -6.023 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.338 -3.434 -6.934 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.131 -4.157 -8.159 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.068 -5.548 -8.071 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.046 -6.616 -7.872 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.765 -6.307 -6.170 1.00 0.00 H new ATOM 980 N ALA A 65 -7.410 -4.345 -4.583 1.00 0.00 N ATOM 981 CA ALA A 65 -8.306 -3.947 -3.514 1.00 0.00 C ATOM 982 C ALA A 65 -7.590 -3.067 -2.504 1.00 0.00 C ATOM 983 O ALA A 65 -8.157 -2.052 -2.123 1.00 0.00 O ATOM 984 CB ALA A 65 -8.944 -5.167 -2.844 1.00 0.00 C ATOM 0 H ALA A 65 -7.339 -5.358 -4.675 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.112 -3.358 -3.952 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -9.610 -4.837 -2.047 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -9.513 -5.732 -3.583 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.163 -5.802 -2.425 1.00 0.00 H new ATOM 990 N VAL A 66 -6.345 -3.379 -2.139 1.00 0.00 N ATOM 991 CA VAL A 66 -5.585 -2.482 -1.267 1.00 0.00 C ATOM 992 C VAL A 66 -5.326 -1.149 -1.979 1.00 0.00 C ATOM 993 O VAL A 66 -5.513 -0.110 -1.360 1.00 0.00 O ATOM 994 CB VAL A 66 -4.263 -3.103 -0.789 1.00 0.00 C ATOM 995 CG1 VAL A 66 -3.546 -2.172 0.177 1.00 0.00 C ATOM 996 CG2 VAL A 66 -4.403 -4.493 -0.126 1.00 0.00 C ATOM 0 H VAL A 66 -5.851 -4.224 -2.425 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.190 -2.307 -0.378 1.00 0.00 H new ATOM 0 HB VAL A 66 -3.682 -3.245 -1.701 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.613 -2.633 0.502 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.330 -1.227 -0.321 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.181 -1.988 1.044 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.420 -4.851 0.179 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.048 -4.415 0.749 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.840 -5.193 -0.838 1.00 0.00 H new ATOM 1006 N ILE A 67 -4.895 -1.117 -3.250 1.00 0.00 N ATOM 1007 CA ILE A 67 -4.637 0.181 -3.911 1.00 0.00 C ATOM 1008 C ILE A 67 -5.865 1.041 -3.922 1.00 0.00 C ATOM 1009 O ILE A 67 -5.805 2.239 -3.660 1.00 0.00 O ATOM 1010 CB ILE A 67 -4.078 -0.027 -5.341 1.00 0.00 C ATOM 1011 CG1 ILE A 67 -2.566 0.191 -5.250 1.00 0.00 C ATOM 1012 CG2 ILE A 67 -4.605 0.891 -6.459 1.00 0.00 C ATOM 1013 CD1 ILE A 67 -2.002 -0.751 -4.198 1.00 0.00 C ATOM 0 H ILE A 67 -4.722 -1.940 -3.827 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.878 0.706 -3.331 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.404 -1.025 -5.634 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.098 0.003 -6.216 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.348 1.226 -4.987 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.125 0.629 -7.402 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.684 0.766 -6.554 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.380 1.929 -6.214 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -0.924 -0.607 -4.121 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -2.466 -0.540 -3.234 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.211 -1.782 -4.483 1.00 0.00 H new ATOM 1025 N LYS A 68 -6.954 0.370 -4.227 1.00 0.00 N ATOM 1026 CA LYS A 68 -8.281 0.919 -4.101 1.00 0.00 C ATOM 1027 C LYS A 68 -8.458 1.468 -2.719 1.00 0.00 C ATOM 1028 O LYS A 68 -8.573 2.670 -2.640 1.00 0.00 O ATOM 1029 CB LYS A 68 -9.349 -0.067 -4.560 1.00 0.00 C ATOM 1030 CG LYS A 68 -9.279 -0.112 -6.093 1.00 0.00 C ATOM 1031 CD LYS A 68 -10.638 -0.337 -6.770 1.00 0.00 C ATOM 1032 CE LYS A 68 -10.946 -1.816 -7.019 1.00 0.00 C ATOM 1033 NZ LYS A 68 -10.951 -2.636 -5.793 1.00 0.00 N ATOM 0 H LYS A 68 -6.939 -0.589 -4.575 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.410 1.761 -4.781 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -9.171 -1.055 -4.135 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.337 0.250 -4.227 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.854 0.824 -6.455 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -8.598 -0.909 -6.393 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.423 0.092 -6.147 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -10.657 0.197 -7.720 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.918 -1.899 -7.504 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -10.208 -2.220 -7.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -11.065 -3.638 -6.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -10.052 -2.507 -5.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -11.739 -2.342 -5.182 1.00 0.00 H new ATOM 1047 N GLU A 69 -8.374 0.698 -1.651 1.00 0.00 N ATOM 1048 CA GLU A 69 -8.652 1.187 -0.325 1.00 0.00 C ATOM 1049 C GLU A 69 -7.703 2.310 0.086 1.00 0.00 C ATOM 1050 O GLU A 69 -8.049 3.132 0.917 1.00 0.00 O ATOM 1051 CB GLU A 69 -8.500 0.000 0.619 1.00 0.00 C ATOM 1052 CG GLU A 69 -9.798 -0.434 1.328 1.00 0.00 C ATOM 1053 CD GLU A 69 -10.551 0.678 2.083 1.00 0.00 C ATOM 1054 OE1 GLU A 69 -11.234 1.480 1.402 1.00 0.00 O ATOM 1055 OE2 GLU A 69 -10.500 0.677 3.331 1.00 0.00 O ATOM 0 H GLU A 69 -8.110 -0.287 -1.685 1.00 0.00 H new ATOM 0 HA GLU A 69 -9.657 1.608 -0.290 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.111 -0.847 0.055 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -7.755 0.249 1.375 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.470 -0.863 0.585 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -9.556 -1.228 2.035 1.00 0.00 H new ATOM 1062 N ILE A 70 -6.513 2.413 -0.500 1.00 0.00 N ATOM 1063 CA ILE A 70 -5.596 3.460 -0.212 1.00 0.00 C ATOM 1064 C ILE A 70 -6.185 4.701 -0.889 1.00 0.00 C ATOM 1065 O ILE A 70 -6.393 5.709 -0.219 1.00 0.00 O ATOM 1066 CB ILE A 70 -4.198 3.115 -0.661 1.00 0.00 C ATOM 1067 CG1 ILE A 70 -3.563 2.002 0.202 1.00 0.00 C ATOM 1068 CG2 ILE A 70 -3.366 4.386 -0.546 1.00 0.00 C ATOM 1069 CD1 ILE A 70 -4.283 1.263 1.345 1.00 0.00 C ATOM 0 H ILE A 70 -6.174 1.750 -1.197 1.00 0.00 H new ATOM 0 HA ILE A 70 -5.479 3.636 0.857 1.00 0.00 H new ATOM 0 HB ILE A 70 -4.231 2.739 -1.684 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.234 1.231 -0.495 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -2.666 2.437 0.643 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.343 4.181 -0.862 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -3.794 5.160 -1.183 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.364 4.727 0.489 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -3.608 0.529 1.786 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.587 1.980 2.107 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.164 0.756 0.952 1.00 0.00 H new ATOM 1081 N LYS A 71 -6.455 4.650 -2.210 1.00 0.00 N ATOM 1082 CA LYS A 71 -7.147 5.743 -2.898 1.00 0.00 C ATOM 1083 C LYS A 71 -8.392 6.109 -2.122 1.00 0.00 C ATOM 1084 O LYS A 71 -8.584 7.298 -1.886 1.00 0.00 O ATOM 1085 CB LYS A 71 -7.600 5.392 -4.327 1.00 0.00 C ATOM 1086 CG LYS A 71 -6.468 5.065 -5.300 1.00 0.00 C ATOM 1087 CD LYS A 71 -6.984 4.241 -6.488 1.00 0.00 C ATOM 1088 CE LYS A 71 -7.759 5.065 -7.535 1.00 0.00 C ATOM 1089 NZ LYS A 71 -6.884 5.572 -8.616 1.00 0.00 N ATOM 0 H LYS A 71 -6.203 3.866 -2.812 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.427 6.559 -2.959 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.276 4.538 -4.279 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -8.172 6.229 -4.727 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.017 5.989 -5.662 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.686 4.511 -4.781 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -6.138 3.757 -6.976 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.632 3.448 -6.113 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.546 4.448 -7.968 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.247 5.906 -7.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -7.388 6.304 -9.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.021 5.980 -8.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -6.627 4.789 -9.250 1.00 0.00 H new ATOM 1103 N GLU A 72 -9.216 5.137 -1.741 1.00 0.00 N ATOM 1104 CA GLU A 72 -10.567 5.398 -1.368 1.00 0.00 C ATOM 1105 C GLU A 72 -10.677 5.822 0.099 1.00 0.00 C ATOM 1106 O GLU A 72 -11.434 6.742 0.411 1.00 0.00 O ATOM 1107 CB GLU A 72 -11.327 4.134 -1.750 1.00 0.00 C ATOM 1108 CG GLU A 72 -12.391 4.411 -2.803 1.00 0.00 C ATOM 1109 CD GLU A 72 -11.799 4.970 -4.113 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -11.364 4.161 -4.966 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -11.790 6.217 -4.259 1.00 0.00 O ATOM 0 H GLU A 72 -8.949 4.154 -1.688 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.004 6.252 -1.885 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.627 3.389 -2.128 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -11.796 3.709 -0.862 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -12.933 3.490 -3.018 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -13.115 5.121 -2.404 1.00 0.00 H new ATOM 1118 N TRP A 73 -9.830 5.289 0.983 1.00 0.00 N ATOM 1119 CA TRP A 73 -9.562 5.864 2.290 1.00 0.00 C ATOM 1120 C TRP A 73 -9.099 7.295 2.142 1.00 0.00 C ATOM 1121 O TRP A 73 -9.724 8.182 2.729 1.00 0.00 O ATOM 1122 CB TRP A 73 -8.562 5.036 3.065 1.00 0.00 C ATOM 1123 CG TRP A 73 -8.376 5.517 4.460 1.00 0.00 C ATOM 1124 CD1 TRP A 73 -9.115 5.134 5.519 1.00 0.00 C ATOM 1125 CD2 TRP A 73 -7.396 6.460 4.959 1.00 0.00 C ATOM 1126 NE1 TRP A 73 -8.666 5.788 6.650 1.00 0.00 N ATOM 1127 CE2 TRP A 73 -7.628 6.651 6.350 1.00 0.00 C ATOM 1128 CE3 TRP A 73 -6.330 7.160 4.366 1.00 0.00 C ATOM 1129 CZ2 TRP A 73 -6.855 7.538 7.112 1.00 0.00 C ATOM 1130 CZ3 TRP A 73 -5.526 8.021 5.127 1.00 0.00 C ATOM 1131 CH2 TRP A 73 -5.801 8.229 6.481 1.00 0.00 C ATOM 0 H TRP A 73 -9.306 4.433 0.802 1.00 0.00 H new ATOM 0 HA TRP A 73 -10.489 5.860 2.864 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -8.894 3.998 3.084 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -7.603 5.055 2.548 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -9.931 4.427 5.489 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -9.050 5.652 7.585 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -6.128 7.033 3.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -7.063 7.689 8.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -4.691 8.525 4.664 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -5.201 8.925 7.049 1.00 0.00 H new ATOM 1142 N ARG A 74 -8.038 7.565 1.368 1.00 0.00 N ATOM 1143 CA ARG A 74 -7.564 8.931 1.221 1.00 0.00 C ATOM 1144 C ARG A 74 -8.684 9.795 0.648 1.00 0.00 C ATOM 1145 O ARG A 74 -8.796 10.949 1.049 1.00 0.00 O ATOM 1146 CB ARG A 74 -6.311 8.955 0.338 1.00 0.00 C ATOM 1147 CG ARG A 74 -5.137 8.125 0.883 1.00 0.00 C ATOM 1148 CD ARG A 74 -4.304 8.785 1.974 1.00 0.00 C ATOM 1149 NE ARG A 74 -3.427 9.859 1.480 1.00 0.00 N ATOM 1150 CZ ARG A 74 -2.192 10.112 1.930 1.00 0.00 C ATOM 1151 NH1 ARG A 74 -1.494 9.190 2.571 1.00 0.00 N ATOM 1152 NH2 ARG A 74 -1.633 11.297 1.738 1.00 0.00 N ATOM 0 H ARG A 74 -7.508 6.866 0.848 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.287 9.340 2.192 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -6.572 8.586 -0.654 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -5.985 9.988 0.218 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.531 7.186 1.272 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -4.478 7.874 0.052 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -4.972 9.193 2.732 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.694 8.025 2.463 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.788 10.457 0.737 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -1.895 8.266 2.731 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -0.554 9.403 2.906 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.144 12.028 1.243 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -0.691 11.479 2.085 1.00 0.00 H new ATOM 1166 N ALA A 75 -9.503 9.273 -0.271 1.00 0.00 N ATOM 1167 CA ALA A 75 -10.644 9.932 -0.873 1.00 0.00 C ATOM 1168 C ALA A 75 -11.630 10.371 0.192 1.00 0.00 C ATOM 1169 O ALA A 75 -11.843 11.578 0.336 1.00 0.00 O ATOM 1170 CB ALA A 75 -11.308 9.098 -1.977 1.00 0.00 C ATOM 0 H ALA A 75 -9.372 8.326 -0.628 1.00 0.00 H new ATOM 0 HA ALA A 75 -10.272 10.825 -1.375 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.156 9.647 -2.388 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.585 8.901 -2.769 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -11.655 8.153 -1.560 1.00 0.00 H new ATOM 1176 N ALA A 76 -12.192 9.417 0.931 1.00 0.00 N ATOM 1177 CA ALA A 76 -13.183 9.653 1.962 1.00 0.00 C ATOM 1178 C ALA A 76 -12.633 10.617 3.006 1.00 0.00 C ATOM 1179 O ALA A 76 -13.340 11.534 3.422 1.00 0.00 O ATOM 1180 CB ALA A 76 -13.588 8.319 2.599 1.00 0.00 C ATOM 0 H ALA A 76 -11.959 8.430 0.820 1.00 0.00 H new ATOM 0 HA ALA A 76 -14.069 10.108 1.520 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -14.333 8.497 3.374 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -14.008 7.664 1.836 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -12.711 7.846 3.041 1.00 0.00 H new ATOM 1186 N ASN A 77 -11.369 10.438 3.405 1.00 0.00 N ATOM 1187 CA ASN A 77 -10.766 11.246 4.440 1.00 0.00 C ATOM 1188 C ASN A 77 -10.471 12.679 3.991 1.00 0.00 C ATOM 1189 O ASN A 77 -10.352 13.558 4.842 1.00 0.00 O ATOM 1190 CB ASN A 77 -9.499 10.536 4.903 1.00 0.00 C ATOM 1191 CG ASN A 77 -9.822 9.490 5.957 1.00 0.00 C ATOM 1192 OD1 ASN A 77 -9.826 9.768 7.150 1.00 0.00 O ATOM 1193 ND2 ASN A 77 -10.164 8.290 5.530 1.00 0.00 N ATOM 0 H ASN A 77 -10.748 9.729 3.014 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.473 11.349 5.263 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -9.010 10.062 4.052 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -8.797 11.264 5.309 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -10.439 7.570 6.198 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -10.153 8.082 4.532 1.00 0.00 H new ATOM 1200 N GLY A 78 -10.367 12.959 2.685 1.00 0.00 N ATOM 1201 CA GLY A 78 -10.105 14.319 2.218 1.00 0.00 C ATOM 1202 C GLY A 78 -9.411 14.404 0.863 1.00 0.00 C ATOM 1203 O GLY A 78 -8.756 15.405 0.580 1.00 0.00 O ATOM 0 H GLY A 78 -10.460 12.266 1.942 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -11.051 14.858 2.161 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -9.491 14.831 2.959 1.00 0.00 H new ATOM 1207 N LYS A 79 -9.581 13.417 -0.017 1.00 0.00 N ATOM 1208 CA LYS A 79 -8.905 13.100 -1.245 1.00 0.00 C ATOM 1209 C LYS A 79 -7.547 13.731 -1.511 1.00 0.00 C ATOM 1210 O LYS A 79 -7.446 14.904 -1.873 1.00 0.00 O ATOM 1211 CB LYS A 79 -9.868 13.194 -2.413 1.00 0.00 C ATOM 1212 CG LYS A 79 -11.336 13.641 -2.206 1.00 0.00 C ATOM 1213 CD LYS A 79 -11.649 15.050 -2.738 1.00 0.00 C ATOM 1214 CE LYS A 79 -11.203 16.188 -1.802 1.00 0.00 C ATOM 1215 NZ LYS A 79 -9.740 16.423 -1.783 1.00 0.00 N ATOM 0 H LYS A 79 -10.311 12.726 0.158 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.590 12.065 -1.111 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.425 13.879 -3.137 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -9.897 12.210 -2.882 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.994 12.925 -2.698 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.567 13.608 -1.141 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -11.163 15.178 -3.705 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.723 15.133 -2.907 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.703 17.108 -2.104 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.536 15.961 -0.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -9.387 16.335 -0.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -9.268 15.721 -2.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -9.537 17.379 -2.139 1.00 0.00 H new ATOM 1229 N SER A 80 -6.536 12.885 -1.434 1.00 0.00 N ATOM 1230 CA SER A 80 -5.177 13.054 -1.926 1.00 0.00 C ATOM 1231 C SER A 80 -4.571 11.650 -1.952 1.00 0.00 C ATOM 1232 O SER A 80 -4.018 11.195 -0.953 1.00 0.00 O ATOM 1233 CB SER A 80 -4.376 14.008 -1.030 1.00 0.00 C ATOM 1234 OG SER A 80 -4.840 15.338 -1.184 1.00 0.00 O ATOM 0 H SER A 80 -6.655 11.977 -0.984 1.00 0.00 H new ATOM 0 HA SER A 80 -5.160 13.506 -2.918 1.00 0.00 H new ATOM 0 HB2 SER A 80 -4.469 13.702 0.012 1.00 0.00 H new ATOM 0 HB3 SER A 80 -3.318 13.954 -1.285 1.00 0.00 H new ATOM 0 HG SER A 80 -5.767 15.326 -1.501 1.00 0.00 H new ATOM 1240 N GLY A 81 -4.781 10.943 -3.062 1.00 0.00 N ATOM 1241 CA GLY A 81 -4.184 9.649 -3.364 1.00 0.00 C ATOM 1242 C GLY A 81 -2.773 9.848 -3.890 1.00 0.00 C ATOM 1243 O GLY A 81 -2.132 10.881 -3.645 1.00 0.00 O ATOM 0 H GLY A 81 -5.398 11.273 -3.804 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.165 9.028 -2.468 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -4.788 9.123 -4.103 1.00 0.00 H new ATOM 1247 N PHE A 82 -2.287 8.839 -4.607 1.00 0.00 N ATOM 1248 CA PHE A 82 -1.098 8.929 -5.406 1.00 0.00 C ATOM 1249 C PHE A 82 -1.246 9.970 -6.505 1.00 0.00 C ATOM 1250 O PHE A 82 -2.137 10.822 -6.533 1.00 0.00 O ATOM 1251 CB PHE A 82 -0.655 7.545 -5.921 1.00 0.00 C ATOM 1252 CG PHE A 82 -1.340 6.336 -5.317 1.00 0.00 C ATOM 1253 CD1 PHE A 82 -0.842 5.739 -4.147 1.00 0.00 C ATOM 1254 CD2 PHE A 82 -2.474 5.797 -5.945 1.00 0.00 C ATOM 1255 CE1 PHE A 82 -1.473 4.604 -3.610 1.00 0.00 C ATOM 1256 CE2 PHE A 82 -3.099 4.664 -5.404 1.00 0.00 C ATOM 1257 CZ PHE A 82 -2.612 4.070 -4.230 1.00 0.00 C ATOM 0 H PHE A 82 -2.729 7.920 -4.640 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.286 9.280 -4.770 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -0.810 7.519 -7.000 1.00 0.00 H new ATOM 0 HB3 PHE A 82 0.417 7.447 -5.751 1.00 0.00 H new ATOM 0 HD1 PHE A 82 0.028 6.153 -3.659 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.864 6.254 -6.843 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.080 4.141 -2.717 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -3.964 4.245 -5.896 1.00 0.00 H new ATOM 0 HZ PHE A 82 -3.110 3.210 -3.808 1.00 0.00 H new ATOM 1267 N LYS A 83 -0.309 9.892 -7.438 1.00 0.00 N ATOM 1268 CA LYS A 83 -0.470 10.439 -8.754 1.00 0.00 C ATOM 1269 C LYS A 83 -1.873 10.073 -9.239 1.00 0.00 C ATOM 1270 O LYS A 83 -2.265 8.919 -9.122 1.00 0.00 O ATOM 1271 CB LYS A 83 0.630 9.831 -9.598 1.00 0.00 C ATOM 1272 CG LYS A 83 1.232 10.868 -10.571 1.00 0.00 C ATOM 1273 CD LYS A 83 2.046 11.975 -9.861 1.00 0.00 C ATOM 1274 CE LYS A 83 3.235 11.429 -9.052 1.00 0.00 C ATOM 1275 NZ LYS A 83 3.859 12.451 -8.182 1.00 0.00 N ATOM 0 H LYS A 83 0.592 9.439 -7.289 1.00 0.00 H new ATOM 0 HA LYS A 83 -0.386 11.525 -8.800 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.414 9.440 -8.950 1.00 0.00 H new ATOM 0 HB3 LYS A 83 0.233 8.987 -10.163 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.876 10.355 -11.285 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.427 11.329 -11.143 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.415 12.680 -10.606 1.00 0.00 H new ATOM 0 HD3 LYS A 83 1.387 12.531 -9.195 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.897 10.594 -8.438 1.00 0.00 H new ATOM 0 HE3 LYS A 83 3.985 11.037 -9.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 4.840 12.176 -7.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.854 13.370 -8.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 3.322 12.526 -7.294 1.00 0.00 H new ATOM 1289 N GLN A 84 -2.569 11.089 -9.732 1.00 0.00 N ATOM 1290 CA GLN A 84 -3.998 11.271 -9.902 1.00 0.00 C ATOM 1291 C GLN A 84 -4.672 10.381 -10.952 1.00 0.00 C ATOM 1292 O GLN A 84 -5.407 10.867 -11.818 1.00 0.00 O ATOM 1293 CB GLN A 84 -4.222 12.775 -10.152 1.00 0.00 C ATOM 1294 CG GLN A 84 -5.625 13.212 -9.720 1.00 0.00 C ATOM 1295 CD GLN A 84 -6.360 14.002 -10.801 1.00 0.00 C ATOM 1296 OE1 GLN A 84 -6.577 15.203 -10.680 1.00 0.00 O ATOM 1297 NE2 GLN A 84 -6.748 13.349 -11.884 1.00 0.00 N ATOM 0 H GLN A 84 -2.072 11.915 -10.066 1.00 0.00 H new ATOM 0 HA GLN A 84 -4.496 10.935 -8.993 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -3.476 13.351 -9.605 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -4.081 12.994 -11.210 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -6.211 12.330 -9.460 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -5.549 13.822 -8.820 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -6.561 12.350 -11.972 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -7.234 13.844 -12.631 1.00 0.00 H new ATOM 1306 N GLY A 85 -4.363 9.099 -10.893 1.00 0.00 N ATOM 1307 CA GLY A 85 -5.204 8.059 -11.460 1.00 0.00 C ATOM 1308 C GLY A 85 -6.390 7.847 -10.522 1.00 0.00 C ATOM 1309 O GLY A 85 -7.302 7.087 -10.901 1.00 0.00 O ATOM 0 H GLY A 85 -3.516 8.747 -10.447 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.550 8.348 -12.452 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.640 7.134 -11.576 1.00 0.00 H new TER 1313 GLY A 85