USER MOD reduce.3.24.130724 H: found=0, std=0, add=773, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 774 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 Single : A 8 ASN : amide:sc=-0.000328 X(o=-0.00033,f=0) USER MOD Single : A 13 THR OG1 : rot 101:sc= 1.22 USER MOD Single : A 19 CYS SG : rot 80:sc= 0.778 USER MOD Single : A 20 LYS NZ :NH3+ 171:sc= -0.011 (180deg=-0.176) USER MOD Single : A 24 SER OG : rot -50:sc= 0.247 USER MOD Single : A 27 HIS : no HD1:sc= -0.154 X(o=-0.15,f=-0.33) USER MOD Single : A 28 LYS NZ :NH3+ -138:sc= -0.703 (180deg=-3.12!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -165:sc= -0.0557 (180deg=-0.331) USER MOD Single : A 39 LYS NZ :NH3+ 146:sc= 1.32 (180deg=0.381) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -168:sc=-0.00371 (180deg=-0.152) USER MOD Single : A 46 LYS NZ :NH3+ -133:sc= -0.307 (180deg=-2.14!) USER MOD Single : A 53 GLN : amide:sc= -3.1! C(o=-3.1!,f=-6.7!) USER MOD Single : A 55 LYS NZ :NH3+ 168:sc= 2.36 (180deg=2.01) USER MOD Single : A 56 SER OG : rot 124:sc= 0.478 USER MOD Single : A 65 LYS NZ :NH3+ -113:sc= -0.695 (180deg=-2.13!) USER MOD Single : A 69 GLN : amide:sc= -1.36 X(o=-1.4,f=-1.4) USER MOD Single : A 70 ASN : amide:sc= -3! C(o=-3!,f=-2.9!) USER MOD Single : A 72 SER OG : rot -170:sc= -0.204 USER MOD Single : A 79 SER OG : rot -3:sc= 0.77 USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.125 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0466) USER MOD Single : A 92 SER OG : rot -73:sc= 1.13 USER MOD Single : A 97 LYS NZ :NH3+ -155:sc= -0.029 (180deg=-0.695) USER MOD Single : A 106 MET CE :methyl -109:sc= -1.07 (180deg=-6.59!) USER MOD Single : A 108 LYS NZ :NH3+ -175:sc= 1.28 (180deg=1.18) USER MOD ----------------------------------------------------------------- ATOM 60 N GLY A 5 -13.350 7.997 5.220 1.00 0.00 N ATOM 61 CA GLY A 5 -12.049 8.266 5.795 1.00 0.00 C ATOM 62 C GLY A 5 -11.196 7.020 5.865 1.00 0.00 C ATOM 63 O GLY A 5 -10.082 7.047 6.387 1.00 0.00 O ATOM 0 HA2 GLY A 5 -11.538 9.023 5.200 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -12.173 8.678 6.796 1.00 0.00 H new ATOM 67 N ILE A 6 -11.733 5.917 5.352 1.00 0.00 N ATOM 68 CA ILE A 6 -10.969 4.683 5.212 1.00 0.00 C ATOM 69 C ILE A 6 -9.815 4.913 4.242 1.00 0.00 C ATOM 70 O ILE A 6 -8.694 4.458 4.458 1.00 0.00 O ATOM 71 CB ILE A 6 -11.868 3.517 4.725 1.00 0.00 C ATOM 72 CG1 ILE A 6 -12.801 3.056 5.846 1.00 0.00 C ATOM 73 CG2 ILE A 6 -11.034 2.346 4.221 1.00 0.00 C ATOM 74 CD1 ILE A 6 -12.072 2.486 7.047 1.00 0.00 C ATOM 0 H ILE A 6 -12.697 5.853 5.026 1.00 0.00 H new ATOM 0 HA ILE A 6 -10.573 4.403 6.188 1.00 0.00 H new ATOM 0 HB ILE A 6 -12.468 3.886 3.894 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -13.412 3.899 6.169 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -13.482 2.301 5.453 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -11.695 1.546 3.887 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -10.412 2.674 3.388 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -10.398 1.979 5.026 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -12.797 2.180 7.801 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -11.483 1.622 6.739 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -11.411 3.245 7.466 1.00 0.00 H new ATOM 86 N LEU A 7 -10.098 5.640 3.177 1.00 0.00 N ATOM 87 CA LEU A 7 -9.060 6.108 2.280 1.00 0.00 C ATOM 88 C LEU A 7 -9.478 7.431 1.663 1.00 0.00 C ATOM 89 O LEU A 7 -10.636 7.613 1.275 1.00 0.00 O ATOM 90 CB LEU A 7 -8.680 5.049 1.208 1.00 0.00 C ATOM 91 CG LEU A 7 -9.686 4.712 0.081 1.00 0.00 C ATOM 92 CD1 LEU A 7 -11.094 4.477 0.608 1.00 0.00 C ATOM 93 CD2 LEU A 7 -9.677 5.775 -1.011 1.00 0.00 C ATOM 0 H LEU A 7 -11.042 5.920 2.912 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.152 6.270 2.860 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.757 5.381 0.733 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.453 4.121 1.732 1.00 0.00 H new ATOM 0 HG LEU A 7 -9.353 3.773 -0.361 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -11.760 4.244 -0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -11.085 3.643 1.310 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -11.447 5.375 1.115 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -10.395 5.506 -1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.950 6.739 -0.582 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.680 5.840 -1.447 1.00 0.00 H new ATOM 105 N ASN A 8 -8.550 8.366 1.628 1.00 0.00 N ATOM 106 CA ASN A 8 -8.807 9.664 1.043 1.00 0.00 C ATOM 107 C ASN A 8 -8.355 9.664 -0.405 1.00 0.00 C ATOM 108 O ASN A 8 -7.164 9.526 -0.690 1.00 0.00 O ATOM 109 CB ASN A 8 -8.082 10.759 1.821 1.00 0.00 C ATOM 110 CG ASN A 8 -8.735 11.039 3.157 1.00 0.00 C ATOM 111 OD1 ASN A 8 -9.519 11.979 3.302 1.00 0.00 O ATOM 112 ND2 ASN A 8 -8.449 10.195 4.127 1.00 0.00 N ATOM 0 H ASN A 8 -7.607 8.249 2.000 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.877 9.866 1.089 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.045 10.463 1.980 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -8.065 11.673 1.228 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -8.883 10.305 5.044 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -7.794 9.431 3.962 1.00 0.00 H new ATOM 119 N ASP A 9 -9.315 9.803 -1.315 1.00 0.00 N ATOM 120 CA ASP A 9 -9.034 9.782 -2.750 1.00 0.00 C ATOM 121 C ASP A 9 -7.993 10.829 -3.106 1.00 0.00 C ATOM 122 O ASP A 9 -7.176 10.624 -4.000 1.00 0.00 O ATOM 123 CB ASP A 9 -10.304 10.034 -3.569 1.00 0.00 C ATOM 124 CG ASP A 9 -11.330 8.926 -3.438 1.00 0.00 C ATOM 125 OD1 ASP A 9 -12.188 9.007 -2.534 1.00 0.00 O ATOM 126 OD2 ASP A 9 -11.299 7.980 -4.248 1.00 0.00 O ATOM 0 H ASP A 9 -10.300 9.932 -1.084 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.651 8.791 -2.992 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -10.753 10.975 -3.251 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -10.035 10.148 -4.619 1.00 0.00 H new ATOM 131 N ALA A 10 -8.031 11.946 -2.394 1.00 0.00 N ATOM 132 CA ALA A 10 -7.086 13.030 -2.601 1.00 0.00 C ATOM 133 C ALA A 10 -5.665 12.591 -2.269 1.00 0.00 C ATOM 134 O ALA A 10 -4.734 12.878 -3.018 1.00 0.00 O ATOM 135 CB ALA A 10 -7.479 14.231 -1.758 1.00 0.00 C ATOM 0 H ALA A 10 -8.716 12.125 -1.659 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.113 13.310 -3.654 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -6.765 15.038 -1.920 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.476 14.566 -2.044 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.478 13.952 -0.704 1.00 0.00 H new ATOM 141 N ASP A 11 -5.503 11.878 -1.159 1.00 0.00 N ATOM 142 CA ASP A 11 -4.183 11.414 -0.734 1.00 0.00 C ATOM 143 C ASP A 11 -3.624 10.398 -1.709 1.00 0.00 C ATOM 144 O ASP A 11 -2.460 10.471 -2.107 1.00 0.00 O ATOM 145 CB ASP A 11 -4.232 10.808 0.672 1.00 0.00 C ATOM 146 CG ASP A 11 -4.217 11.853 1.767 1.00 0.00 C ATOM 147 OD1 ASP A 11 -3.124 12.344 2.112 1.00 0.00 O ATOM 148 OD2 ASP A 11 -5.294 12.183 2.301 1.00 0.00 O ATOM 0 H ASP A 11 -6.266 11.608 -0.538 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.526 12.284 -0.715 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.132 10.201 0.769 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.381 10.140 0.803 1.00 0.00 H new ATOM 153 N ILE A 12 -4.461 9.455 -2.091 1.00 0.00 N ATOM 154 CA ILE A 12 -4.082 8.435 -3.050 1.00 0.00 C ATOM 155 C ILE A 12 -3.735 9.074 -4.395 1.00 0.00 C ATOM 156 O ILE A 12 -2.722 8.740 -5.013 1.00 0.00 O ATOM 157 CB ILE A 12 -5.217 7.399 -3.211 1.00 0.00 C ATOM 158 CG1 ILE A 12 -5.169 6.349 -2.091 1.00 0.00 C ATOM 159 CG2 ILE A 12 -5.158 6.715 -4.569 1.00 0.00 C ATOM 160 CD1 ILE A 12 -5.431 6.889 -0.700 1.00 0.00 C ATOM 0 H ILE A 12 -5.418 9.373 -1.748 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.198 7.917 -2.679 1.00 0.00 H new ATOM 0 HB ILE A 12 -6.160 7.941 -3.142 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.903 5.573 -2.308 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -4.189 5.872 -2.101 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -5.971 5.993 -4.648 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -5.258 7.461 -5.357 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -4.203 6.200 -4.676 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -5.376 6.075 0.023 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -4.682 7.642 -0.455 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.423 7.339 -0.665 1.00 0.00 H new ATOM 172 N THR A 13 -4.561 10.021 -4.821 1.00 0.00 N ATOM 173 CA THR A 13 -4.323 10.748 -6.059 1.00 0.00 C ATOM 174 C THR A 13 -3.033 11.567 -5.970 1.00 0.00 C ATOM 175 O THR A 13 -2.310 11.701 -6.951 1.00 0.00 O ATOM 176 CB THR A 13 -5.516 11.669 -6.393 1.00 0.00 C ATOM 177 OG1 THR A 13 -6.697 10.876 -6.566 1.00 0.00 O ATOM 178 CG2 THR A 13 -5.265 12.479 -7.656 1.00 0.00 C ATOM 0 H THR A 13 -5.405 10.304 -4.324 1.00 0.00 H new ATOM 0 HA THR A 13 -4.215 10.017 -6.860 1.00 0.00 H new ATOM 0 HB THR A 13 -5.644 12.366 -5.564 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.247 10.927 -5.756 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.127 13.115 -7.858 1.00 0.00 H new ATOM 0 HG22 THR A 13 -4.380 13.100 -7.520 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.108 11.803 -8.497 1.00 0.00 H new ATOM 186 N ALA A 14 -2.741 12.092 -4.785 1.00 0.00 N ATOM 187 CA ALA A 14 -1.511 12.839 -4.557 1.00 0.00 C ATOM 188 C ALA A 14 -0.292 11.947 -4.766 1.00 0.00 C ATOM 189 O ALA A 14 0.696 12.356 -5.379 1.00 0.00 O ATOM 190 CB ALA A 14 -1.501 13.432 -3.157 1.00 0.00 C ATOM 0 H ALA A 14 -3.342 12.013 -3.965 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.467 13.654 -5.279 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.575 13.987 -3.003 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.351 14.105 -3.041 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -1.570 12.630 -2.422 1.00 0.00 H new ATOM 196 N ALA A 15 -0.377 10.721 -4.263 1.00 0.00 N ATOM 197 CA ALA A 15 0.692 9.748 -4.435 1.00 0.00 C ATOM 198 C ALA A 15 0.811 9.332 -5.898 1.00 0.00 C ATOM 199 O ALA A 15 1.911 9.137 -6.410 1.00 0.00 O ATOM 200 CB ALA A 15 0.449 8.530 -3.556 1.00 0.00 C ATOM 0 H ALA A 15 -1.177 10.378 -3.732 1.00 0.00 H new ATOM 0 HA ALA A 15 1.630 10.213 -4.133 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.257 7.813 -3.697 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.414 8.837 -2.511 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.499 8.067 -3.830 1.00 0.00 H new ATOM 206 N LEU A 16 -0.330 9.215 -6.568 1.00 0.00 N ATOM 207 CA LEU A 16 -0.360 8.860 -7.984 1.00 0.00 C ATOM 208 C LEU A 16 0.077 10.037 -8.854 1.00 0.00 C ATOM 209 O LEU A 16 0.414 9.864 -10.023 1.00 0.00 O ATOM 210 CB LEU A 16 -1.756 8.376 -8.385 1.00 0.00 C ATOM 211 CG LEU A 16 -2.199 7.075 -7.713 1.00 0.00 C ATOM 212 CD1 LEU A 16 -3.679 6.839 -7.946 1.00 0.00 C ATOM 213 CD2 LEU A 16 -1.389 5.899 -8.234 1.00 0.00 C ATOM 0 H LEU A 16 -1.250 9.361 -6.152 1.00 0.00 H new ATOM 0 HA LEU A 16 0.346 8.046 -8.145 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -2.479 9.156 -8.147 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.781 8.238 -9.466 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.023 7.165 -6.641 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.980 5.910 -7.462 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.250 7.668 -7.527 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.872 6.770 -9.016 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.720 4.984 -7.743 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.533 5.806 -9.310 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.332 6.063 -8.022 1.00 0.00 H new ATOM 225 N ALA A 17 0.037 11.237 -8.287 1.00 0.00 N ATOM 226 CA ALA A 17 0.557 12.423 -8.955 1.00 0.00 C ATOM 227 C ALA A 17 2.073 12.473 -8.820 1.00 0.00 C ATOM 228 O ALA A 17 2.782 12.907 -9.731 1.00 0.00 O ATOM 229 CB ALA A 17 -0.071 13.684 -8.375 1.00 0.00 C ATOM 0 H ALA A 17 -0.353 11.414 -7.361 1.00 0.00 H new ATOM 0 HA ALA A 17 0.299 12.370 -10.013 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.330 14.559 -8.887 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.152 13.648 -8.511 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.159 13.749 -7.311 1.00 0.00 H new ATOM 235 N ALA A 18 2.563 12.015 -7.675 1.00 0.00 N ATOM 236 CA ALA A 18 3.995 11.909 -7.443 1.00 0.00 C ATOM 237 C ALA A 18 4.563 10.766 -8.271 1.00 0.00 C ATOM 238 O ALA A 18 5.720 10.793 -8.690 1.00 0.00 O ATOM 239 CB ALA A 18 4.283 11.695 -5.963 1.00 0.00 C ATOM 0 H ALA A 18 1.986 11.710 -6.891 1.00 0.00 H new ATOM 0 HA ALA A 18 4.474 12.839 -7.748 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.359 11.618 -5.809 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.894 12.537 -5.391 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.802 10.776 -5.628 1.00 0.00 H new ATOM 245 N CYS A 19 3.722 9.774 -8.522 1.00 0.00 N ATOM 246 CA CYS A 19 4.095 8.636 -9.345 1.00 0.00 C ATOM 247 C CYS A 19 3.382 8.698 -10.695 1.00 0.00 C ATOM 248 O CYS A 19 3.000 7.674 -11.256 1.00 0.00 O ATOM 249 CB CYS A 19 3.743 7.337 -8.624 1.00 0.00 C ATOM 250 SG CYS A 19 4.437 7.209 -6.959 1.00 0.00 S ATOM 0 H CYS A 19 2.768 9.736 -8.163 1.00 0.00 H new ATOM 0 HA CYS A 19 5.170 8.667 -9.520 1.00 0.00 H new ATOM 0 HB2 CYS A 19 2.658 7.250 -8.562 1.00 0.00 H new ATOM 0 HB3 CYS A 19 4.097 6.495 -9.220 1.00 0.00 H new ATOM 0 HG CYS A 19 3.705 7.892 -6.130 1.00 0.00 H new ATOM 256 N LYS A 20 3.192 9.913 -11.200 1.00 0.00 N ATOM 257 CA LYS A 20 2.575 10.109 -12.503 1.00 0.00 C ATOM 258 C LYS A 20 3.563 9.744 -13.604 1.00 0.00 C ATOM 259 O LYS A 20 3.173 9.312 -14.692 1.00 0.00 O ATOM 260 CB LYS A 20 2.107 11.560 -12.661 1.00 0.00 C ATOM 261 CG LYS A 20 1.581 11.871 -14.048 1.00 0.00 C ATOM 262 CD LYS A 20 1.077 13.297 -14.166 1.00 0.00 C ATOM 263 CE LYS A 20 0.737 13.638 -15.610 1.00 0.00 C ATOM 264 NZ LYS A 20 -0.227 12.672 -16.204 1.00 0.00 N ATOM 0 H LYS A 20 3.457 10.776 -10.725 1.00 0.00 H new ATOM 0 HA LYS A 20 1.704 9.459 -12.582 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.326 11.764 -11.929 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.937 12.229 -12.436 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.372 11.706 -14.780 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.773 11.181 -14.291 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.194 13.427 -13.540 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.835 13.986 -13.795 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.316 14.643 -15.655 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.651 13.648 -16.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.546 13.024 -17.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.237 11.749 -16.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.046 12.566 -15.572 1.00 0.00 H new ATOM 278 N ALA A 21 4.842 9.934 -13.309 1.00 0.00 N ATOM 279 CA ALA A 21 5.904 9.539 -14.216 1.00 0.00 C ATOM 280 C ALA A 21 5.966 8.021 -14.310 1.00 0.00 C ATOM 281 O ALA A 21 6.369 7.346 -13.360 1.00 0.00 O ATOM 282 CB ALA A 21 7.234 10.106 -13.748 1.00 0.00 C ATOM 0 H ALA A 21 5.168 10.362 -12.442 1.00 0.00 H new ATOM 0 HA ALA A 21 5.694 9.940 -15.208 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.022 9.802 -14.437 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.176 11.194 -13.720 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.459 9.729 -12.750 1.00 0.00 H new ATOM 288 N GLU A 22 5.549 7.494 -15.450 1.00 0.00 N ATOM 289 CA GLU A 22 5.504 6.055 -15.658 1.00 0.00 C ATOM 290 C GLU A 22 6.899 5.453 -15.577 1.00 0.00 C ATOM 291 O GLU A 22 7.846 5.946 -16.201 1.00 0.00 O ATOM 292 CB GLU A 22 4.859 5.735 -17.006 1.00 0.00 C ATOM 293 CG GLU A 22 3.422 6.215 -17.107 1.00 0.00 C ATOM 294 CD GLU A 22 2.810 5.947 -18.464 1.00 0.00 C ATOM 295 OE1 GLU A 22 3.019 6.762 -19.385 1.00 0.00 O ATOM 296 OE2 GLU A 22 2.101 4.930 -18.616 1.00 0.00 O ATOM 0 H GLU A 22 5.235 8.044 -16.249 1.00 0.00 H new ATOM 0 HA GLU A 22 4.898 5.612 -14.868 1.00 0.00 H new ATOM 0 HB2 GLU A 22 5.446 6.194 -17.801 1.00 0.00 H new ATOM 0 HB3 GLU A 22 4.888 4.658 -17.170 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.824 5.723 -16.340 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.386 7.285 -16.902 1.00 0.00 H new ATOM 303 N GLY A 23 7.022 4.399 -14.790 1.00 0.00 N ATOM 304 CA GLY A 23 8.306 3.769 -14.580 1.00 0.00 C ATOM 305 C GLY A 23 9.025 4.376 -13.400 1.00 0.00 C ATOM 306 O GLY A 23 10.206 4.118 -13.176 1.00 0.00 O ATOM 0 H GLY A 23 6.248 3.964 -14.288 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.167 2.701 -14.414 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.917 3.876 -15.476 1.00 0.00 H new ATOM 310 N SER A 24 8.305 5.185 -12.639 1.00 0.00 N ATOM 311 CA SER A 24 8.887 5.892 -11.517 1.00 0.00 C ATOM 312 C SER A 24 7.980 5.776 -10.289 1.00 0.00 C ATOM 313 O SER A 24 7.957 6.660 -9.433 1.00 0.00 O ATOM 314 CB SER A 24 9.109 7.361 -11.905 1.00 0.00 C ATOM 315 OG SER A 24 9.926 8.039 -10.963 1.00 0.00 O ATOM 0 H SER A 24 7.312 5.367 -12.782 1.00 0.00 H new ATOM 0 HA SER A 24 9.849 5.447 -11.262 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.573 7.410 -12.890 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.146 7.866 -11.981 1.00 0.00 H new ATOM 0 HG SER A 24 9.582 7.883 -10.059 1.00 0.00 H new ATOM 321 N PHE A 25 7.233 4.679 -10.211 1.00 0.00 N ATOM 322 CA PHE A 25 6.341 4.444 -9.081 1.00 0.00 C ATOM 323 C PHE A 25 7.140 4.158 -7.823 1.00 0.00 C ATOM 324 O PHE A 25 7.980 3.254 -7.802 1.00 0.00 O ATOM 325 CB PHE A 25 5.415 3.258 -9.347 1.00 0.00 C ATOM 326 CG PHE A 25 4.272 3.152 -8.373 1.00 0.00 C ATOM 327 CD1 PHE A 25 3.167 3.977 -8.486 1.00 0.00 C ATOM 328 CD2 PHE A 25 4.304 2.220 -7.347 1.00 0.00 C ATOM 329 CE1 PHE A 25 2.115 3.879 -7.594 1.00 0.00 C ATOM 330 CE2 PHE A 25 3.255 2.118 -6.452 1.00 0.00 C ATOM 331 CZ PHE A 25 2.160 2.948 -6.576 1.00 0.00 C ATOM 0 H PHE A 25 7.228 3.941 -10.915 1.00 0.00 H new ATOM 0 HA PHE A 25 5.744 5.346 -8.947 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.014 3.341 -10.357 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.998 2.338 -9.311 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.126 4.707 -9.281 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.158 1.566 -7.246 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.259 4.530 -7.694 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.293 1.389 -5.656 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.340 2.869 -5.878 1.00 0.00 H new ATOM 341 N ASP A 26 6.884 4.924 -6.782 1.00 0.00 N ATOM 342 CA ASP A 26 7.486 4.656 -5.492 1.00 0.00 C ATOM 343 C ASP A 26 6.419 4.111 -4.556 1.00 0.00 C ATOM 344 O ASP A 26 5.673 4.871 -3.938 1.00 0.00 O ATOM 345 CB ASP A 26 8.126 5.919 -4.908 1.00 0.00 C ATOM 346 CG ASP A 26 9.033 5.619 -3.726 1.00 0.00 C ATOM 347 OD1 ASP A 26 8.540 5.560 -2.584 1.00 0.00 O ATOM 348 OD2 ASP A 26 10.251 5.441 -3.934 1.00 0.00 O ATOM 0 H ASP A 26 6.265 5.735 -6.804 1.00 0.00 H new ATOM 0 HA ASP A 26 8.279 3.918 -5.613 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.701 6.423 -5.684 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.342 6.608 -4.594 1.00 0.00 H new ATOM 353 N HIS A 27 6.322 2.784 -4.514 1.00 0.00 N ATOM 354 CA HIS A 27 5.345 2.077 -3.671 1.00 0.00 C ATOM 355 C HIS A 27 5.333 2.612 -2.244 1.00 0.00 C ATOM 356 O HIS A 27 4.305 2.614 -1.565 1.00 0.00 O ATOM 357 CB HIS A 27 5.651 0.565 -3.666 1.00 0.00 C ATOM 358 CG HIS A 27 6.713 0.123 -2.694 1.00 0.00 C ATOM 359 ND1 HIS A 27 8.046 0.013 -3.032 1.00 0.00 N ATOM 360 CD2 HIS A 27 6.629 -0.248 -1.391 1.00 0.00 C ATOM 361 CE1 HIS A 27 8.732 -0.399 -1.983 1.00 0.00 C ATOM 362 NE2 HIS A 27 7.896 -0.564 -0.976 1.00 0.00 N ATOM 0 H HIS A 27 6.917 2.163 -5.062 1.00 0.00 H new ATOM 0 HA HIS A 27 4.356 2.249 -4.095 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.730 0.026 -3.442 1.00 0.00 H new ATOM 0 HB3 HIS A 27 5.956 0.270 -4.670 1.00 0.00 H new ATOM 0 HD2 HIS A 27 5.731 -0.287 -0.793 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.798 -0.572 -1.954 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.152 -0.876 -0.039 1.00 0.00 H new ATOM 371 N LYS A 28 6.488 3.059 -1.810 1.00 0.00 N ATOM 372 CA LYS A 28 6.679 3.531 -0.463 1.00 0.00 C ATOM 373 C LYS A 28 6.003 4.877 -0.265 1.00 0.00 C ATOM 374 O LYS A 28 5.224 5.052 0.670 1.00 0.00 O ATOM 375 CB LYS A 28 8.170 3.632 -0.222 1.00 0.00 C ATOM 376 CG LYS A 28 8.563 4.044 1.187 1.00 0.00 C ATOM 377 CD LYS A 28 10.076 4.131 1.366 1.00 0.00 C ATOM 378 CE LYS A 28 10.698 5.305 0.609 1.00 0.00 C ATOM 379 NZ LYS A 28 10.832 5.053 -0.855 1.00 0.00 N ATOM 0 H LYS A 28 7.327 3.105 -2.388 1.00 0.00 H new ATOM 0 HA LYS A 28 6.229 2.841 0.250 1.00 0.00 H new ATOM 0 HB2 LYS A 28 8.625 2.667 -0.443 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.589 4.351 -0.926 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.116 5.011 1.418 1.00 0.00 H new ATOM 0 HG3 LYS A 28 8.156 3.326 1.899 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.306 4.226 2.427 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.531 3.202 1.023 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.087 6.194 0.764 1.00 0.00 H new ATOM 0 HE3 LYS A 28 11.682 5.518 1.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 11.755 5.402 -1.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.762 4.032 -1.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.073 5.549 -1.364 1.00 0.00 H new ATOM 393 N ALA A 29 6.295 5.812 -1.166 1.00 0.00 N ATOM 394 CA ALA A 29 5.686 7.136 -1.141 1.00 0.00 C ATOM 395 C ALA A 29 4.171 7.031 -1.094 1.00 0.00 C ATOM 396 O ALA A 29 3.503 7.857 -0.489 1.00 0.00 O ATOM 397 CB ALA A 29 6.118 7.948 -2.353 1.00 0.00 C ATOM 0 H ALA A 29 6.957 5.673 -1.929 1.00 0.00 H new ATOM 0 HA ALA A 29 6.026 7.647 -0.240 1.00 0.00 H new ATOM 0 HB1 ALA A 29 5.653 8.933 -2.316 1.00 0.00 H new ATOM 0 HB2 ALA A 29 7.202 8.059 -2.349 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.809 7.435 -3.264 1.00 0.00 H new ATOM 403 N PHE A 30 3.640 5.995 -1.725 1.00 0.00 N ATOM 404 CA PHE A 30 2.207 5.762 -1.733 1.00 0.00 C ATOM 405 C PHE A 30 1.706 5.438 -0.323 1.00 0.00 C ATOM 406 O PHE A 30 0.848 6.144 0.210 1.00 0.00 O ATOM 407 CB PHE A 30 1.867 4.621 -2.700 1.00 0.00 C ATOM 408 CG PHE A 30 0.392 4.424 -2.924 1.00 0.00 C ATOM 409 CD1 PHE A 30 -0.260 5.098 -3.943 1.00 0.00 C ATOM 410 CD2 PHE A 30 -0.338 3.565 -2.119 1.00 0.00 C ATOM 411 CE1 PHE A 30 -1.613 4.921 -4.156 1.00 0.00 C ATOM 412 CE2 PHE A 30 -1.692 3.384 -2.326 1.00 0.00 C ATOM 413 CZ PHE A 30 -2.330 4.064 -3.345 1.00 0.00 C ATOM 0 H PHE A 30 4.183 5.301 -2.239 1.00 0.00 H new ATOM 0 HA PHE A 30 1.707 6.670 -2.071 1.00 0.00 H new ATOM 0 HB2 PHE A 30 2.346 4.817 -3.659 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.292 3.694 -2.315 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.297 5.770 -4.579 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.157 3.031 -1.321 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.109 5.452 -4.955 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.251 2.712 -1.692 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.389 3.925 -3.507 1.00 0.00 H new ATOM 423 N PHE A 31 2.267 4.392 0.294 1.00 0.00 N ATOM 424 CA PHE A 31 1.786 3.934 1.599 1.00 0.00 C ATOM 425 C PHE A 31 2.009 4.986 2.665 1.00 0.00 C ATOM 426 O PHE A 31 1.184 5.179 3.557 1.00 0.00 O ATOM 427 CB PHE A 31 2.433 2.582 2.008 1.00 0.00 C ATOM 428 CG PHE A 31 3.853 2.592 2.531 1.00 0.00 C ATOM 429 CD1 PHE A 31 4.184 3.214 3.720 1.00 0.00 C ATOM 430 CD2 PHE A 31 4.846 1.919 1.841 1.00 0.00 C ATOM 431 CE1 PHE A 31 5.476 3.182 4.205 1.00 0.00 C ATOM 432 CE2 PHE A 31 6.140 1.872 2.326 1.00 0.00 C ATOM 433 CZ PHE A 31 6.455 2.506 3.508 1.00 0.00 C ATOM 0 H PHE A 31 3.046 3.853 -0.085 1.00 0.00 H new ATOM 0 HA PHE A 31 0.712 3.769 1.508 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.801 2.129 2.772 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.404 1.924 1.140 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.419 3.733 4.279 1.00 0.00 H new ATOM 0 HD2 PHE A 31 4.607 1.424 0.911 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.720 3.686 5.129 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.903 1.339 1.779 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.466 2.474 3.887 1.00 0.00 H new ATOM 443 N THR A 32 3.113 5.677 2.550 1.00 0.00 N ATOM 444 CA THR A 32 3.569 6.543 3.601 1.00 0.00 C ATOM 445 C THR A 32 2.949 7.934 3.503 1.00 0.00 C ATOM 446 O THR A 32 2.891 8.673 4.485 1.00 0.00 O ATOM 447 CB THR A 32 5.105 6.565 3.599 1.00 0.00 C ATOM 448 OG1 THR A 32 5.606 7.007 4.866 1.00 0.00 O ATOM 449 CG2 THR A 32 5.661 7.448 2.491 1.00 0.00 C ATOM 0 H THR A 32 3.717 5.655 1.729 1.00 0.00 H new ATOM 0 HA THR A 32 3.236 6.154 4.563 1.00 0.00 H new ATOM 0 HB THR A 32 5.438 5.544 3.415 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.586 7.013 4.846 1.00 0.00 H new ATOM 0 HG21 THR A 32 6.750 7.434 2.527 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.325 7.073 1.524 1.00 0.00 H new ATOM 0 HG23 THR A 32 5.306 8.470 2.627 1.00 0.00 H new ATOM 457 N LYS A 33 2.463 8.278 2.322 1.00 0.00 N ATOM 458 CA LYS A 33 1.803 9.556 2.116 1.00 0.00 C ATOM 459 C LYS A 33 0.347 9.491 2.554 1.00 0.00 C ATOM 460 O LYS A 33 -0.121 10.344 3.308 1.00 0.00 O ATOM 461 CB LYS A 33 1.896 9.943 0.646 1.00 0.00 C ATOM 462 CG LYS A 33 1.211 11.253 0.293 1.00 0.00 C ATOM 463 CD LYS A 33 1.388 11.589 -1.179 1.00 0.00 C ATOM 464 CE LYS A 33 2.838 11.909 -1.518 1.00 0.00 C ATOM 465 NZ LYS A 33 3.363 13.058 -0.727 1.00 0.00 N ATOM 0 H LYS A 33 2.513 7.689 1.491 1.00 0.00 H new ATOM 0 HA LYS A 33 2.302 10.312 2.722 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.948 10.011 0.367 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.458 9.146 0.045 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.149 11.185 0.528 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.622 12.057 0.904 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.050 10.749 -1.786 1.00 0.00 H new ATOM 0 HD3 LYS A 33 0.759 12.441 -1.435 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.455 11.030 -1.331 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.919 12.135 -2.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.245 13.402 -1.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.660 13.824 -0.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.551 12.751 0.249 1.00 0.00 H new ATOM 479 N VAL A 34 -0.357 8.461 2.103 1.00 0.00 N ATOM 480 CA VAL A 34 -1.773 8.325 2.363 1.00 0.00 C ATOM 481 C VAL A 34 -2.045 7.892 3.802 1.00 0.00 C ATOM 482 O VAL A 34 -3.185 7.927 4.266 1.00 0.00 O ATOM 483 CB VAL A 34 -2.393 7.311 1.388 1.00 0.00 C ATOM 484 CG1 VAL A 34 -1.999 7.634 -0.042 1.00 0.00 C ATOM 485 CG2 VAL A 34 -1.997 5.885 1.742 1.00 0.00 C ATOM 0 H VAL A 34 0.041 7.702 1.549 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.231 9.303 2.215 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.477 7.387 1.476 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.448 6.905 -0.717 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.352 8.632 -0.300 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.914 7.597 -0.138 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.453 5.194 1.033 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.912 5.787 1.698 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.342 5.651 2.749 1.00 0.00 H new ATOM 495 N GLY A 35 -0.992 7.481 4.496 1.00 0.00 N ATOM 496 CA GLY A 35 -1.126 7.061 5.878 1.00 0.00 C ATOM 497 C GLY A 35 -1.512 5.604 5.990 1.00 0.00 C ATOM 498 O GLY A 35 -2.176 5.196 6.943 1.00 0.00 O ATOM 0 H GLY A 35 -0.043 7.431 4.125 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.184 7.228 6.401 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.879 7.675 6.373 1.00 0.00 H new ATOM 502 N LEU A 36 -1.077 4.819 5.017 1.00 0.00 N ATOM 503 CA LEU A 36 -1.434 3.412 4.940 1.00 0.00 C ATOM 504 C LEU A 36 -0.565 2.586 5.887 1.00 0.00 C ATOM 505 O LEU A 36 -0.953 1.502 6.319 1.00 0.00 O ATOM 506 CB LEU A 36 -1.256 2.915 3.502 1.00 0.00 C ATOM 507 CG LEU A 36 -2.087 1.691 3.114 1.00 0.00 C ATOM 508 CD1 LEU A 36 -3.564 2.048 3.051 1.00 0.00 C ATOM 509 CD2 LEU A 36 -1.617 1.135 1.778 1.00 0.00 C ATOM 0 H LEU A 36 -0.470 5.138 4.262 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.476 3.297 5.238 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.505 3.730 2.822 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.203 2.680 3.346 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.951 0.924 3.877 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.140 1.165 2.774 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.894 2.405 4.027 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.718 2.830 2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.217 0.264 1.515 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.727 1.898 1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.569 0.844 1.853 1.00 0.00 H new ATOM 521 N ALA A 37 0.603 3.122 6.222 1.00 0.00 N ATOM 522 CA ALA A 37 1.585 2.407 7.033 1.00 0.00 C ATOM 523 C ALA A 37 1.116 2.213 8.475 1.00 0.00 C ATOM 524 O ALA A 37 1.576 1.304 9.167 1.00 0.00 O ATOM 525 CB ALA A 37 2.915 3.143 7.005 1.00 0.00 C ATOM 0 H ALA A 37 0.896 4.058 5.942 1.00 0.00 H new ATOM 0 HA ALA A 37 1.707 1.414 6.600 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.642 2.604 7.612 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.275 3.205 5.978 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.783 4.148 7.405 1.00 0.00 H new ATOM 531 N ALA A 38 0.201 3.060 8.928 1.00 0.00 N ATOM 532 CA ALA A 38 -0.310 2.967 10.292 1.00 0.00 C ATOM 533 C ALA A 38 -1.777 2.553 10.308 1.00 0.00 C ATOM 534 O ALA A 38 -2.534 2.927 11.208 1.00 0.00 O ATOM 535 CB ALA A 38 -0.121 4.290 11.019 1.00 0.00 C ATOM 0 H ALA A 38 -0.202 3.816 8.375 1.00 0.00 H new ATOM 0 HA ALA A 38 0.259 2.196 10.812 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.507 4.205 12.035 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.940 4.538 11.053 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -0.660 5.076 10.490 1.00 0.00 H new ATOM 541 N LYS A 39 -2.172 1.770 9.316 1.00 0.00 N ATOM 542 CA LYS A 39 -3.549 1.314 9.203 1.00 0.00 C ATOM 543 C LYS A 39 -3.793 0.084 10.062 1.00 0.00 C ATOM 544 O LYS A 39 -2.906 -0.755 10.245 1.00 0.00 O ATOM 545 CB LYS A 39 -3.891 1.002 7.748 1.00 0.00 C ATOM 546 CG LYS A 39 -4.067 2.234 6.881 1.00 0.00 C ATOM 547 CD LYS A 39 -5.324 2.993 7.263 1.00 0.00 C ATOM 548 CE LYS A 39 -5.612 4.128 6.299 1.00 0.00 C ATOM 549 NZ LYS A 39 -6.968 4.692 6.517 1.00 0.00 N ATOM 0 H LYS A 39 -1.556 1.436 8.575 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.194 2.117 9.559 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.102 0.381 7.324 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.809 0.415 7.718 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.199 2.885 6.987 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.120 1.941 5.833 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.171 2.307 7.281 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -5.215 3.392 8.272 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.865 4.912 6.424 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.527 3.767 5.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.954 5.714 6.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.644 4.230 5.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.258 4.528 7.502 1.00 0.00 H new ATOM 563 N SER A 40 -5.002 -0.014 10.583 1.00 0.00 N ATOM 564 CA SER A 40 -5.394 -1.131 11.419 1.00 0.00 C ATOM 565 C SER A 40 -5.827 -2.318 10.556 1.00 0.00 C ATOM 566 O SER A 40 -6.147 -2.134 9.377 1.00 0.00 O ATOM 567 CB SER A 40 -6.524 -0.699 12.351 1.00 0.00 C ATOM 568 OG SER A 40 -6.154 0.450 13.098 1.00 0.00 O ATOM 0 H SER A 40 -5.738 0.677 10.438 1.00 0.00 H new ATOM 0 HA SER A 40 -4.541 -1.446 12.020 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.420 -0.486 11.768 1.00 0.00 H new ATOM 0 HB3 SER A 40 -6.772 -1.515 13.030 1.00 0.00 H new ATOM 0 HG SER A 40 -6.893 0.710 13.687 1.00 0.00 H new ATOM 574 N PRO A 41 -5.824 -3.542 11.118 1.00 0.00 N ATOM 575 CA PRO A 41 -6.113 -4.777 10.373 1.00 0.00 C ATOM 576 C PRO A 41 -7.320 -4.685 9.437 1.00 0.00 C ATOM 577 O PRO A 41 -7.253 -5.141 8.300 1.00 0.00 O ATOM 578 CB PRO A 41 -6.377 -5.791 11.481 1.00 0.00 C ATOM 579 CG PRO A 41 -5.529 -5.330 12.612 1.00 0.00 C ATOM 580 CD PRO A 41 -5.516 -3.827 12.537 1.00 0.00 C ATOM 0 HA PRO A 41 -5.290 -5.030 9.705 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -7.431 -5.812 11.757 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -6.109 -6.800 11.169 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -5.933 -5.669 13.566 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.519 -5.733 12.532 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -6.258 -3.387 13.204 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.547 -3.420 12.826 1.00 0.00 H new ATOM 588 N ALA A 42 -8.410 -4.090 9.910 1.00 0.00 N ATOM 589 CA ALA A 42 -9.644 -4.008 9.131 1.00 0.00 C ATOM 590 C ALA A 42 -9.452 -3.196 7.849 1.00 0.00 C ATOM 591 O ALA A 42 -9.910 -3.596 6.771 1.00 0.00 O ATOM 592 CB ALA A 42 -10.762 -3.414 9.974 1.00 0.00 C ATOM 0 H ALA A 42 -8.466 -3.656 10.831 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.919 -5.022 8.839 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -11.675 -3.359 9.381 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -10.934 -4.044 10.847 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -10.480 -2.413 10.299 1.00 0.00 H new ATOM 598 N ASP A 43 -8.764 -2.068 7.961 1.00 0.00 N ATOM 599 CA ASP A 43 -8.523 -1.208 6.808 1.00 0.00 C ATOM 600 C ASP A 43 -7.543 -1.893 5.868 1.00 0.00 C ATOM 601 O ASP A 43 -7.772 -1.982 4.668 1.00 0.00 O ATOM 602 CB ASP A 43 -7.974 0.151 7.258 1.00 0.00 C ATOM 603 CG ASP A 43 -7.936 1.187 6.148 1.00 0.00 C ATOM 604 OD1 ASP A 43 -7.282 0.948 5.114 1.00 0.00 O ATOM 605 OD2 ASP A 43 -8.539 2.268 6.329 1.00 0.00 O ATOM 0 H ASP A 43 -8.364 -1.727 8.835 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.463 -1.035 6.285 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.587 0.529 8.076 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.967 0.015 7.652 1.00 0.00 H new ATOM 610 N ILE A 44 -6.474 -2.420 6.437 1.00 0.00 N ATOM 611 CA ILE A 44 -5.478 -3.148 5.664 1.00 0.00 C ATOM 612 C ILE A 44 -6.095 -4.393 5.013 1.00 0.00 C ATOM 613 O ILE A 44 -5.669 -4.824 3.943 1.00 0.00 O ATOM 614 CB ILE A 44 -4.264 -3.521 6.553 1.00 0.00 C ATOM 615 CG1 ILE A 44 -3.388 -2.291 6.799 1.00 0.00 C ATOM 616 CG2 ILE A 44 -3.434 -4.634 5.943 1.00 0.00 C ATOM 617 CD1 ILE A 44 -2.888 -1.632 5.530 1.00 0.00 C ATOM 0 H ILE A 44 -6.271 -2.358 7.435 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.122 -2.499 4.864 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.657 -3.883 7.503 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.956 -1.562 7.376 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.532 -2.582 7.408 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -2.594 -4.863 6.599 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.052 -5.524 5.821 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.058 -4.317 4.970 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.275 -0.768 5.786 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -2.291 -2.345 4.961 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.738 -1.308 4.929 1.00 0.00 H new ATOM 629 N LYS A 45 -7.127 -4.938 5.645 1.00 0.00 N ATOM 630 CA LYS A 45 -7.846 -6.085 5.104 1.00 0.00 C ATOM 631 C LYS A 45 -8.505 -5.736 3.773 1.00 0.00 C ATOM 632 O LYS A 45 -8.383 -6.479 2.797 1.00 0.00 O ATOM 633 CB LYS A 45 -8.897 -6.573 6.100 1.00 0.00 C ATOM 634 CG LYS A 45 -9.615 -7.830 5.647 1.00 0.00 C ATOM 635 CD LYS A 45 -8.647 -8.989 5.482 1.00 0.00 C ATOM 636 CE LYS A 45 -9.326 -10.181 4.837 1.00 0.00 C ATOM 637 NZ LYS A 45 -10.500 -10.636 5.622 1.00 0.00 N ATOM 0 H LYS A 45 -7.487 -4.602 6.538 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.126 -6.885 4.931 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -8.417 -6.763 7.060 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -9.630 -5.782 6.261 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -10.383 -8.095 6.374 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -10.123 -7.640 4.702 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.800 -8.675 4.872 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -8.250 -9.276 6.456 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -9.643 -9.917 3.828 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.612 -10.999 4.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -10.815 -11.563 5.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.237 -10.717 6.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.273 -9.947 5.522 1.00 0.00 H new ATOM 651 N LYS A 46 -9.193 -4.602 3.717 1.00 0.00 N ATOM 652 CA LYS A 46 -9.810 -4.185 2.466 1.00 0.00 C ATOM 653 C LYS A 46 -8.736 -3.742 1.476 1.00 0.00 C ATOM 654 O LYS A 46 -8.942 -3.785 0.264 1.00 0.00 O ATOM 655 CB LYS A 46 -10.886 -3.101 2.685 1.00 0.00 C ATOM 656 CG LYS A 46 -10.430 -1.869 3.456 1.00 0.00 C ATOM 657 CD LYS A 46 -9.705 -0.859 2.576 1.00 0.00 C ATOM 658 CE LYS A 46 -10.645 -0.192 1.587 1.00 0.00 C ATOM 659 NZ LYS A 46 -9.988 0.927 0.860 1.00 0.00 N ATOM 0 H LYS A 46 -9.335 -3.968 4.504 1.00 0.00 H new ATOM 0 HA LYS A 46 -10.331 -5.041 2.038 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -11.258 -2.782 1.712 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -11.726 -3.550 3.216 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -11.296 -1.391 3.913 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.771 -2.177 4.267 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.239 -0.099 3.203 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.903 -1.360 2.034 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.000 -0.932 0.869 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.520 0.184 2.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.614 1.758 0.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.091 1.167 1.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.799 0.640 -0.122 1.00 0.00 H new ATOM 673 N VAL A 47 -7.579 -3.342 1.998 1.00 0.00 N ATOM 674 CA VAL A 47 -6.420 -3.061 1.159 1.00 0.00 C ATOM 675 C VAL A 47 -5.959 -4.341 0.471 1.00 0.00 C ATOM 676 O VAL A 47 -5.623 -4.343 -0.719 1.00 0.00 O ATOM 677 CB VAL A 47 -5.252 -2.451 1.965 1.00 0.00 C ATOM 678 CG1 VAL A 47 -4.024 -2.275 1.086 1.00 0.00 C ATOM 679 CG2 VAL A 47 -5.659 -1.120 2.573 1.00 0.00 C ATOM 0 H VAL A 47 -7.421 -3.206 2.996 1.00 0.00 H new ATOM 0 HA VAL A 47 -6.724 -2.326 0.414 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.002 -3.140 2.772 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.214 -1.844 1.674 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.713 -3.244 0.696 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.263 -1.610 0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.823 -0.707 3.137 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.939 -0.428 1.779 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.508 -1.269 3.240 1.00 0.00 H new ATOM 689 N PHE A 48 -5.972 -5.431 1.228 1.00 0.00 N ATOM 690 CA PHE A 48 -5.681 -6.752 0.687 1.00 0.00 C ATOM 691 C PHE A 48 -6.639 -7.088 -0.450 1.00 0.00 C ATOM 692 O PHE A 48 -6.282 -7.789 -1.396 1.00 0.00 O ATOM 693 CB PHE A 48 -5.783 -7.823 1.776 1.00 0.00 C ATOM 694 CG PHE A 48 -4.740 -7.718 2.855 1.00 0.00 C ATOM 695 CD1 PHE A 48 -3.499 -7.154 2.601 1.00 0.00 C ATOM 696 CD2 PHE A 48 -4.996 -8.217 4.124 1.00 0.00 C ATOM 697 CE1 PHE A 48 -2.539 -7.088 3.590 1.00 0.00 C ATOM 698 CE2 PHE A 48 -4.039 -8.150 5.117 1.00 0.00 C ATOM 699 CZ PHE A 48 -2.808 -7.588 4.849 1.00 0.00 C ATOM 0 H PHE A 48 -6.183 -5.425 2.226 1.00 0.00 H new ATOM 0 HA PHE A 48 -4.661 -6.737 0.303 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.770 -7.763 2.235 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.707 -8.805 1.310 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -3.281 -6.762 1.618 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -5.956 -8.663 4.338 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.577 -6.645 3.379 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.254 -8.537 6.102 1.00 0.00 H new ATOM 0 HZ PHE A 48 -2.056 -7.539 5.622 1.00 0.00 H new ATOM 709 N GLU A 49 -7.861 -6.589 -0.348 1.00 0.00 N ATOM 710 CA GLU A 49 -8.845 -6.768 -1.406 1.00 0.00 C ATOM 711 C GLU A 49 -8.609 -5.787 -2.557 1.00 0.00 C ATOM 712 O GLU A 49 -9.149 -5.966 -3.645 1.00 0.00 O ATOM 713 CB GLU A 49 -10.261 -6.582 -0.861 1.00 0.00 C ATOM 714 CG GLU A 49 -10.624 -7.528 0.269 1.00 0.00 C ATOM 715 CD GLU A 49 -12.036 -7.303 0.767 1.00 0.00 C ATOM 716 OE1 GLU A 49 -12.251 -6.354 1.552 1.00 0.00 O ATOM 717 OE2 GLU A 49 -12.940 -8.061 0.366 1.00 0.00 O ATOM 0 H GLU A 49 -8.196 -6.057 0.456 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.735 -7.784 -1.786 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.371 -5.556 -0.510 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.972 -6.718 -1.676 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.520 -8.558 -0.073 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.923 -7.394 1.093 1.00 0.00 H new ATOM 724 N ILE A 50 -7.822 -4.740 -2.318 1.00 0.00 N ATOM 725 CA ILE A 50 -7.537 -3.761 -3.364 1.00 0.00 C ATOM 726 C ILE A 50 -6.588 -4.332 -4.418 1.00 0.00 C ATOM 727 O ILE A 50 -6.835 -4.176 -5.616 1.00 0.00 O ATOM 728 CB ILE A 50 -6.952 -2.443 -2.815 1.00 0.00 C ATOM 729 CG1 ILE A 50 -7.847 -1.863 -1.727 1.00 0.00 C ATOM 730 CG2 ILE A 50 -6.804 -1.429 -3.938 1.00 0.00 C ATOM 731 CD1 ILE A 50 -7.240 -0.666 -1.035 1.00 0.00 C ATOM 0 H ILE A 50 -7.375 -4.549 -1.421 1.00 0.00 H new ATOM 0 HA ILE A 50 -8.500 -3.534 -3.822 1.00 0.00 H new ATOM 0 HB ILE A 50 -5.974 -2.661 -2.387 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -8.802 -1.575 -2.166 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -8.056 -2.635 -0.987 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.390 -0.503 -3.540 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -6.135 -1.826 -4.701 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.780 -1.230 -4.380 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -7.927 -0.300 -0.272 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -6.298 -0.955 -0.568 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -7.056 0.122 -1.765 1.00 0.00 H new ATOM 743 N ILE A 51 -5.507 -4.996 -3.988 1.00 0.00 N ATOM 744 CA ILE A 51 -4.618 -5.652 -4.958 1.00 0.00 C ATOM 745 C ILE A 51 -5.374 -6.781 -5.623 1.00 0.00 C ATOM 746 O ILE A 51 -5.202 -7.047 -6.810 1.00 0.00 O ATOM 747 CB ILE A 51 -3.274 -6.187 -4.362 1.00 0.00 C ATOM 748 CG1 ILE A 51 -3.499 -6.941 -3.030 1.00 0.00 C ATOM 749 CG2 ILE A 51 -2.301 -5.033 -4.178 1.00 0.00 C ATOM 750 CD1 ILE A 51 -3.349 -6.071 -1.794 1.00 0.00 C ATOM 0 H ILE A 51 -5.232 -5.093 -3.010 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.325 -4.886 -5.676 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.848 -6.904 -5.064 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.498 -7.377 -3.036 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.791 -7.767 -2.968 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.366 -5.408 -3.763 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.107 -4.563 -5.142 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.732 -4.299 -3.497 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.522 -6.673 -0.902 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.342 -5.655 -1.762 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.075 -5.259 -1.830 1.00 0.00 H new ATOM 762 N ASP A 52 -6.254 -7.408 -4.859 1.00 0.00 N ATOM 763 CA ASP A 52 -7.112 -8.456 -5.381 1.00 0.00 C ATOM 764 C ASP A 52 -8.318 -7.821 -6.077 1.00 0.00 C ATOM 765 O ASP A 52 -9.463 -8.084 -5.716 1.00 0.00 O ATOM 766 CB ASP A 52 -7.590 -9.357 -4.236 1.00 0.00 C ATOM 767 CG ASP A 52 -8.215 -10.664 -4.703 1.00 0.00 C ATOM 768 OD1 ASP A 52 -7.991 -11.081 -5.853 1.00 0.00 O ATOM 769 OD2 ASP A 52 -8.922 -11.295 -3.890 1.00 0.00 O ATOM 0 H ASP A 52 -6.392 -7.206 -3.869 1.00 0.00 H new ATOM 0 HA ASP A 52 -6.553 -9.059 -6.097 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.745 -9.581 -3.585 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.318 -8.811 -3.636 1.00 0.00 H new ATOM 774 N GLN A 53 -8.052 -6.964 -7.061 1.00 0.00 N ATOM 775 CA GLN A 53 -9.107 -6.186 -7.714 1.00 0.00 C ATOM 776 C GLN A 53 -10.087 -7.081 -8.463 1.00 0.00 C ATOM 777 O GLN A 53 -11.227 -6.697 -8.711 1.00 0.00 O ATOM 778 CB GLN A 53 -8.502 -5.126 -8.651 1.00 0.00 C ATOM 779 CG GLN A 53 -7.580 -5.679 -9.732 1.00 0.00 C ATOM 780 CD GLN A 53 -8.307 -6.140 -10.986 1.00 0.00 C ATOM 781 OE1 GLN A 53 -7.869 -7.071 -11.660 1.00 0.00 O ATOM 782 NE2 GLN A 53 -9.403 -5.479 -11.321 1.00 0.00 N ATOM 0 H GLN A 53 -7.115 -6.790 -7.425 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.668 -5.673 -6.933 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.314 -4.580 -9.131 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.945 -4.407 -8.051 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -6.856 -4.912 -10.005 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -7.017 -6.517 -9.322 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -9.735 -4.712 -10.736 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -9.916 -5.736 -12.164 1.00 0.00 H new ATOM 791 N ASP A 54 -9.635 -8.269 -8.826 1.00 0.00 N ATOM 792 CA ASP A 54 -10.513 -9.253 -9.465 1.00 0.00 C ATOM 793 C ASP A 54 -11.275 -10.061 -8.412 1.00 0.00 C ATOM 794 O ASP A 54 -12.269 -10.722 -8.713 1.00 0.00 O ATOM 795 CB ASP A 54 -9.727 -10.186 -10.398 1.00 0.00 C ATOM 796 CG ASP A 54 -8.782 -11.138 -9.682 1.00 0.00 C ATOM 797 OD1 ASP A 54 -8.283 -10.835 -8.591 1.00 0.00 O ATOM 798 OD2 ASP A 54 -8.462 -12.201 -10.223 1.00 0.00 O ATOM 0 H ASP A 54 -8.673 -8.581 -8.693 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.234 -8.707 -10.073 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.434 -10.770 -10.988 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -9.152 -9.580 -11.098 1.00 0.00 H new ATOM 803 N LYS A 55 -10.782 -9.981 -7.178 1.00 0.00 N ATOM 804 CA LYS A 55 -11.405 -10.605 -6.013 1.00 0.00 C ATOM 805 C LYS A 55 -11.598 -12.105 -6.214 1.00 0.00 C ATOM 806 O LYS A 55 -12.717 -12.618 -6.222 1.00 0.00 O ATOM 807 CB LYS A 55 -12.730 -9.911 -5.666 1.00 0.00 C ATOM 808 CG LYS A 55 -13.320 -10.321 -4.318 1.00 0.00 C ATOM 809 CD LYS A 55 -12.309 -10.193 -3.184 1.00 0.00 C ATOM 810 CE LYS A 55 -11.835 -11.561 -2.703 1.00 0.00 C ATOM 811 NZ LYS A 55 -10.665 -11.463 -1.794 1.00 0.00 N ATOM 0 H LYS A 55 -9.926 -9.473 -6.956 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.728 -10.480 -5.168 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -12.573 -8.832 -5.668 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -13.457 -10.129 -6.449 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -14.189 -9.700 -4.100 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -13.671 -11.351 -4.375 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -11.454 -9.608 -3.522 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -12.759 -9.649 -2.353 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -12.652 -12.066 -2.187 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -11.573 -12.176 -3.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -10.504 -12.382 -1.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -9.822 -11.197 -2.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.849 -10.741 -1.068 1.00 0.00 H new ATOM 825 N SER A 56 -10.488 -12.804 -6.377 1.00 0.00 N ATOM 826 CA SER A 56 -10.509 -14.255 -6.485 1.00 0.00 C ATOM 827 C SER A 56 -9.667 -14.858 -5.369 1.00 0.00 C ATOM 828 O SER A 56 -9.447 -16.069 -5.318 1.00 0.00 O ATOM 829 CB SER A 56 -9.963 -14.688 -7.842 1.00 0.00 C ATOM 830 OG SER A 56 -10.479 -13.878 -8.880 1.00 0.00 O ATOM 0 H SER A 56 -9.558 -12.390 -6.438 1.00 0.00 H new ATOM 0 HA SER A 56 -11.536 -14.607 -6.394 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.875 -14.627 -7.836 1.00 0.00 H new ATOM 0 HB3 SER A 56 -10.223 -15.730 -8.026 1.00 0.00 H new ATOM 0 HG SER A 56 -9.738 -13.474 -9.378 1.00 0.00 H new ATOM 836 N ASP A 57 -9.189 -13.977 -4.488 1.00 0.00 N ATOM 837 CA ASP A 57 -8.292 -14.337 -3.390 1.00 0.00 C ATOM 838 C ASP A 57 -6.911 -14.702 -3.915 1.00 0.00 C ATOM 839 O ASP A 57 -6.082 -15.267 -3.201 1.00 0.00 O ATOM 840 CB ASP A 57 -8.871 -15.441 -2.504 1.00 0.00 C ATOM 841 CG ASP A 57 -9.983 -14.921 -1.614 1.00 0.00 C ATOM 842 OD1 ASP A 57 -9.761 -13.916 -0.901 1.00 0.00 O ATOM 843 OD2 ASP A 57 -11.085 -15.507 -1.622 1.00 0.00 O ATOM 0 H ASP A 57 -9.417 -12.983 -4.518 1.00 0.00 H new ATOM 0 HA ASP A 57 -8.188 -13.457 -2.755 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -9.253 -16.247 -3.130 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.079 -15.865 -1.887 1.00 0.00 H new ATOM 848 N PHE A 58 -6.680 -14.368 -5.176 1.00 0.00 N ATOM 849 CA PHE A 58 -5.355 -14.421 -5.768 1.00 0.00 C ATOM 850 C PHE A 58 -5.119 -13.120 -6.517 1.00 0.00 C ATOM 851 O PHE A 58 -6.008 -12.623 -7.228 1.00 0.00 O ATOM 852 CB PHE A 58 -5.179 -15.618 -6.706 1.00 0.00 C ATOM 853 CG PHE A 58 -5.345 -16.952 -6.036 1.00 0.00 C ATOM 854 CD1 PHE A 58 -4.299 -17.518 -5.327 1.00 0.00 C ATOM 855 CD2 PHE A 58 -6.544 -17.640 -6.119 1.00 0.00 C ATOM 856 CE1 PHE A 58 -4.446 -18.747 -4.713 1.00 0.00 C ATOM 857 CE2 PHE A 58 -6.696 -18.869 -5.507 1.00 0.00 C ATOM 858 CZ PHE A 58 -5.646 -19.423 -4.803 1.00 0.00 C ATOM 0 H PHE A 58 -7.408 -14.052 -5.817 1.00 0.00 H new ATOM 0 HA PHE A 58 -4.622 -14.547 -4.971 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -5.902 -15.539 -7.518 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.187 -15.570 -7.156 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.358 -16.993 -5.253 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.369 -17.211 -6.668 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -3.623 -19.178 -4.163 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.636 -19.396 -5.579 1.00 0.00 H new ATOM 0 HZ PHE A 58 -5.763 -20.384 -4.323 1.00 0.00 H new ATOM 868 N VAL A 59 -3.936 -12.571 -6.349 1.00 0.00 N ATOM 869 CA VAL A 59 -3.637 -11.231 -6.804 1.00 0.00 C ATOM 870 C VAL A 59 -2.489 -11.231 -7.810 1.00 0.00 C ATOM 871 O VAL A 59 -1.346 -10.977 -7.446 1.00 0.00 O ATOM 872 CB VAL A 59 -3.256 -10.369 -5.592 1.00 0.00 C ATOM 873 CG1 VAL A 59 -2.951 -8.958 -5.989 1.00 0.00 C ATOM 874 CG2 VAL A 59 -4.340 -10.409 -4.529 1.00 0.00 C ATOM 0 H VAL A 59 -3.154 -13.041 -5.893 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.519 -10.825 -7.299 1.00 0.00 H new ATOM 0 HB VAL A 59 -2.347 -10.794 -5.167 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.686 -8.380 -5.104 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.117 -8.950 -6.691 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -3.828 -8.515 -6.462 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -4.043 -9.790 -3.683 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.273 -10.030 -4.946 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.483 -11.436 -4.194 1.00 0.00 H new ATOM 884 N GLU A 60 -2.791 -11.505 -9.069 1.00 0.00 N ATOM 885 CA GLU A 60 -1.754 -11.594 -10.095 1.00 0.00 C ATOM 886 C GLU A 60 -1.337 -10.212 -10.600 1.00 0.00 C ATOM 887 O GLU A 60 -1.915 -9.198 -10.212 1.00 0.00 O ATOM 888 CB GLU A 60 -2.217 -12.445 -11.282 1.00 0.00 C ATOM 889 CG GLU A 60 -2.353 -13.931 -10.982 1.00 0.00 C ATOM 890 CD GLU A 60 -3.524 -14.252 -10.078 1.00 0.00 C ATOM 891 OE1 GLU A 60 -4.672 -14.279 -10.572 1.00 0.00 O ATOM 892 OE2 GLU A 60 -3.304 -14.480 -8.875 1.00 0.00 O ATOM 0 H GLU A 60 -3.739 -11.669 -9.408 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.893 -12.070 -9.626 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.179 -12.068 -11.629 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.510 -12.317 -12.102 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -2.466 -14.475 -11.919 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -1.434 -14.287 -10.516 1.00 0.00 H new ATOM 899 N GLU A 61 -0.337 -10.185 -11.474 1.00 0.00 N ATOM 900 CA GLU A 61 0.141 -8.944 -12.084 1.00 0.00 C ATOM 901 C GLU A 61 -0.996 -8.206 -12.796 1.00 0.00 C ATOM 902 O GLU A 61 -1.073 -6.973 -12.757 1.00 0.00 O ATOM 903 CB GLU A 61 1.272 -9.264 -13.063 1.00 0.00 C ATOM 904 CG GLU A 61 1.868 -8.049 -13.749 1.00 0.00 C ATOM 905 CD GLU A 61 2.947 -8.422 -14.743 1.00 0.00 C ATOM 906 OE1 GLU A 61 4.126 -8.507 -14.345 1.00 0.00 O ATOM 907 OE2 GLU A 61 2.618 -8.635 -15.930 1.00 0.00 O ATOM 0 H GLU A 61 0.165 -11.018 -11.781 1.00 0.00 H new ATOM 0 HA GLU A 61 0.517 -8.288 -11.299 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.063 -9.788 -12.527 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.895 -9.948 -13.824 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.078 -7.500 -14.262 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.285 -7.379 -12.998 1.00 0.00 H new ATOM 914 N ASP A 62 -1.884 -8.966 -13.432 1.00 0.00 N ATOM 915 CA ASP A 62 -3.048 -8.391 -14.104 1.00 0.00 C ATOM 916 C ASP A 62 -3.895 -7.583 -13.138 1.00 0.00 C ATOM 917 O ASP A 62 -4.483 -6.568 -13.513 1.00 0.00 O ATOM 918 CB ASP A 62 -3.911 -9.475 -14.747 1.00 0.00 C ATOM 919 CG ASP A 62 -3.430 -9.850 -16.127 1.00 0.00 C ATOM 920 OD1 ASP A 62 -3.567 -9.021 -17.049 1.00 0.00 O ATOM 921 OD2 ASP A 62 -2.907 -10.969 -16.300 1.00 0.00 O ATOM 0 H ASP A 62 -1.820 -9.982 -13.497 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.670 -7.731 -14.885 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -3.910 -10.361 -14.112 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.942 -9.127 -14.807 1.00 0.00 H new ATOM 926 N GLU A 63 -3.951 -8.036 -11.896 1.00 0.00 N ATOM 927 CA GLU A 63 -4.688 -7.333 -10.865 1.00 0.00 C ATOM 928 C GLU A 63 -4.006 -6.031 -10.508 1.00 0.00 C ATOM 929 O GLU A 63 -4.656 -5.004 -10.395 1.00 0.00 O ATOM 930 CB GLU A 63 -4.848 -8.184 -9.611 1.00 0.00 C ATOM 931 CG GLU A 63 -5.995 -9.168 -9.685 1.00 0.00 C ATOM 932 CD GLU A 63 -5.634 -10.470 -10.360 1.00 0.00 C ATOM 933 OE1 GLU A 63 -5.271 -10.461 -11.549 1.00 0.00 O ATOM 934 OE2 GLU A 63 -5.739 -11.522 -9.691 1.00 0.00 O ATOM 0 H GLU A 63 -3.492 -8.890 -11.579 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.678 -7.121 -11.268 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.922 -8.732 -9.434 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -4.999 -7.527 -8.754 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.348 -9.378 -8.675 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.823 -8.707 -10.223 1.00 0.00 H new ATOM 941 N LEU A 64 -2.691 -6.071 -10.359 1.00 0.00 N ATOM 942 CA LEU A 64 -1.935 -4.891 -9.968 1.00 0.00 C ATOM 943 C LEU A 64 -2.030 -3.798 -11.017 1.00 0.00 C ATOM 944 O LEU A 64 -1.769 -2.633 -10.728 1.00 0.00 O ATOM 945 CB LEU A 64 -0.473 -5.233 -9.693 1.00 0.00 C ATOM 946 CG LEU A 64 -0.181 -5.740 -8.281 1.00 0.00 C ATOM 947 CD1 LEU A 64 -0.608 -4.714 -7.246 1.00 0.00 C ATOM 948 CD2 LEU A 64 -0.868 -7.071 -8.029 1.00 0.00 C ATOM 0 H LEU A 64 -2.125 -6.907 -10.503 1.00 0.00 H new ATOM 0 HA LEU A 64 -2.380 -4.518 -9.045 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.152 -5.991 -10.408 1.00 0.00 H new ATOM 0 HB3 LEU A 64 0.132 -4.345 -9.876 1.00 0.00 H new ATOM 0 HG LEU A 64 0.895 -5.892 -8.192 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.392 -5.093 -6.247 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.061 -3.785 -7.408 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.678 -4.526 -7.339 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.644 -7.410 -7.018 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -1.946 -6.951 -8.142 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.508 -7.808 -8.747 1.00 0.00 H new ATOM 960 N LYS A 65 -2.396 -4.175 -12.232 1.00 0.00 N ATOM 961 CA LYS A 65 -2.630 -3.196 -13.278 1.00 0.00 C ATOM 962 C LYS A 65 -3.803 -2.290 -12.913 1.00 0.00 C ATOM 963 O LYS A 65 -3.697 -1.068 -12.963 1.00 0.00 O ATOM 964 CB LYS A 65 -2.910 -3.873 -14.622 1.00 0.00 C ATOM 965 CG LYS A 65 -1.764 -4.708 -15.164 1.00 0.00 C ATOM 966 CD LYS A 65 -0.443 -3.966 -15.086 1.00 0.00 C ATOM 967 CE LYS A 65 0.521 -4.418 -16.170 1.00 0.00 C ATOM 968 NZ LYS A 65 0.683 -5.895 -16.214 1.00 0.00 N ATOM 0 H LYS A 65 -2.536 -5.145 -12.515 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.724 -2.597 -13.372 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -3.788 -4.511 -14.516 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -3.160 -3.106 -15.355 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -1.693 -5.638 -14.600 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.969 -4.978 -16.200 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.621 -2.895 -15.181 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.008 -4.128 -14.107 1.00 0.00 H new ATOM 0 HE2 LYS A 65 0.163 -4.067 -17.138 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.493 -3.955 -16.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.652 -6.147 -15.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.005 -6.338 -15.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.506 -6.235 -17.181 1.00 0.00 H new ATOM 982 N LEU A 66 -4.929 -2.898 -12.559 1.00 0.00 N ATOM 983 CA LEU A 66 -6.138 -2.142 -12.241 1.00 0.00 C ATOM 984 C LEU A 66 -6.344 -2.026 -10.740 1.00 0.00 C ATOM 985 O LEU A 66 -7.364 -1.512 -10.280 1.00 0.00 O ATOM 986 CB LEU A 66 -7.367 -2.758 -12.916 1.00 0.00 C ATOM 987 CG LEU A 66 -7.309 -2.793 -14.448 1.00 0.00 C ATOM 988 CD1 LEU A 66 -6.573 -1.570 -14.983 1.00 0.00 C ATOM 989 CD2 LEU A 66 -6.659 -4.077 -14.937 1.00 0.00 C ATOM 0 H LEU A 66 -5.032 -3.910 -12.485 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.006 -1.134 -12.635 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.494 -3.776 -12.548 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.251 -2.196 -12.613 1.00 0.00 H new ATOM 0 HG LEU A 66 -8.330 -2.770 -14.830 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.542 -1.612 -16.072 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.094 -0.666 -14.669 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.556 -1.557 -14.591 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.630 -4.078 -16.027 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.643 -4.142 -14.547 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -7.237 -4.933 -14.589 1.00 0.00 H new ATOM 1001 N PHE A 67 -5.371 -2.517 -9.984 1.00 0.00 N ATOM 1002 CA PHE A 67 -5.347 -2.357 -8.535 1.00 0.00 C ATOM 1003 C PHE A 67 -5.525 -0.882 -8.182 1.00 0.00 C ATOM 1004 O PHE A 67 -6.202 -0.530 -7.214 1.00 0.00 O ATOM 1005 CB PHE A 67 -4.011 -2.890 -7.988 1.00 0.00 C ATOM 1006 CG PHE A 67 -3.450 -2.136 -6.809 1.00 0.00 C ATOM 1007 CD1 PHE A 67 -3.963 -2.313 -5.538 1.00 0.00 C ATOM 1008 CD2 PHE A 67 -2.400 -1.248 -6.980 1.00 0.00 C ATOM 1009 CE1 PHE A 67 -3.443 -1.621 -4.460 1.00 0.00 C ATOM 1010 CE2 PHE A 67 -1.875 -0.553 -5.908 1.00 0.00 C ATOM 1011 CZ PHE A 67 -2.398 -0.740 -4.645 1.00 0.00 C ATOM 0 H PHE A 67 -4.577 -3.037 -10.357 1.00 0.00 H new ATOM 0 HA PHE A 67 -6.162 -2.922 -8.083 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.145 -3.933 -7.701 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -3.275 -2.873 -8.792 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.781 -3.001 -5.385 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -1.986 -1.097 -7.966 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.855 -1.770 -3.473 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -1.057 0.136 -6.058 1.00 0.00 H new ATOM 0 HZ PHE A 67 -1.991 -0.198 -3.804 1.00 0.00 H new ATOM 1021 N LEU A 68 -4.931 -0.027 -9.009 1.00 0.00 N ATOM 1022 CA LEU A 68 -5.011 1.414 -8.827 1.00 0.00 C ATOM 1023 C LEU A 68 -6.448 1.875 -8.955 1.00 0.00 C ATOM 1024 O LEU A 68 -6.945 2.630 -8.125 1.00 0.00 O ATOM 1025 CB LEU A 68 -4.161 2.163 -9.869 1.00 0.00 C ATOM 1026 CG LEU A 68 -2.673 1.799 -9.953 1.00 0.00 C ATOM 1027 CD1 LEU A 68 -2.035 1.797 -8.575 1.00 0.00 C ATOM 1028 CD2 LEU A 68 -2.473 0.463 -10.659 1.00 0.00 C ATOM 0 H LEU A 68 -4.383 -0.314 -9.820 1.00 0.00 H new ATOM 0 HA LEU A 68 -4.628 1.638 -7.832 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.605 1.996 -10.850 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -4.236 3.231 -9.662 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.174 2.563 -10.548 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -0.980 1.536 -8.663 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -2.128 2.788 -8.130 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.538 1.066 -7.942 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.409 0.231 -10.704 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -2.993 -0.321 -10.108 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.874 0.522 -11.671 1.00 0.00 H new ATOM 1040 N GLN A 69 -7.112 1.384 -9.992 1.00 0.00 N ATOM 1041 CA GLN A 69 -8.486 1.759 -10.277 1.00 0.00 C ATOM 1042 C GLN A 69 -9.435 1.146 -9.259 1.00 0.00 C ATOM 1043 O GLN A 69 -10.612 1.496 -9.202 1.00 0.00 O ATOM 1044 CB GLN A 69 -8.869 1.324 -11.690 1.00 0.00 C ATOM 1045 CG GLN A 69 -8.040 1.997 -12.770 1.00 0.00 C ATOM 1046 CD GLN A 69 -8.438 1.568 -14.165 1.00 0.00 C ATOM 1047 OE1 GLN A 69 -9.584 1.195 -14.411 1.00 0.00 O ATOM 1048 NE2 GLN A 69 -7.497 1.632 -15.090 1.00 0.00 N ATOM 0 H GLN A 69 -6.714 0.718 -10.655 1.00 0.00 H new ATOM 0 HA GLN A 69 -8.568 2.844 -10.209 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -8.754 0.243 -11.774 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -9.923 1.547 -11.858 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -8.146 3.078 -12.683 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -6.987 1.766 -12.610 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -6.559 1.947 -14.842 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -7.708 1.366 -16.052 1.00 0.00 H new ATOM 1057 N ASN A 70 -8.916 0.234 -8.452 1.00 0.00 N ATOM 1058 CA ASN A 70 -9.709 -0.376 -7.396 1.00 0.00 C ATOM 1059 C ASN A 70 -9.559 0.443 -6.120 1.00 0.00 C ATOM 1060 O ASN A 70 -10.494 0.569 -5.328 1.00 0.00 O ATOM 1061 CB ASN A 70 -9.280 -1.829 -7.168 1.00 0.00 C ATOM 1062 CG ASN A 70 -10.187 -2.569 -6.200 1.00 0.00 C ATOM 1063 OD1 ASN A 70 -11.361 -2.238 -6.046 1.00 0.00 O ATOM 1064 ND2 ASN A 70 -9.654 -3.594 -5.559 1.00 0.00 N ATOM 0 H ASN A 70 -7.954 -0.099 -8.507 1.00 0.00 H new ATOM 0 HA ASN A 70 -10.758 -0.386 -7.692 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.271 -2.354 -8.123 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.259 -1.845 -6.786 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -10.221 -4.141 -4.911 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.676 -3.839 -5.713 1.00 0.00 H new ATOM 1071 N PHE A 71 -8.375 1.018 -5.943 1.00 0.00 N ATOM 1072 CA PHE A 71 -8.120 1.931 -4.838 1.00 0.00 C ATOM 1073 C PHE A 71 -8.840 3.251 -5.107 1.00 0.00 C ATOM 1074 O PHE A 71 -9.469 3.833 -4.221 1.00 0.00 O ATOM 1075 CB PHE A 71 -6.613 2.176 -4.691 1.00 0.00 C ATOM 1076 CG PHE A 71 -6.145 2.295 -3.265 1.00 0.00 C ATOM 1077 CD1 PHE A 71 -6.800 3.119 -2.365 1.00 0.00 C ATOM 1078 CD2 PHE A 71 -5.050 1.567 -2.825 1.00 0.00 C ATOM 1079 CE1 PHE A 71 -6.370 3.218 -1.056 1.00 0.00 C ATOM 1080 CE2 PHE A 71 -4.615 1.663 -1.517 1.00 0.00 C ATOM 1081 CZ PHE A 71 -5.277 2.489 -0.631 1.00 0.00 C ATOM 0 H PHE A 71 -7.573 0.866 -6.555 1.00 0.00 H new ATOM 0 HA PHE A 71 -8.491 1.493 -3.911 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.075 1.359 -5.172 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -6.351 3.089 -5.225 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -7.657 3.691 -2.690 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -4.531 0.917 -3.513 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -6.889 3.866 -0.365 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -3.759 1.093 -1.188 1.00 0.00 H new ATOM 0 HZ PHE A 71 -4.941 2.565 0.393 1.00 0.00 H new ATOM 1091 N SER A 72 -8.725 3.712 -6.345 1.00 0.00 N ATOM 1092 CA SER A 72 -9.421 4.899 -6.819 1.00 0.00 C ATOM 1093 C SER A 72 -9.704 4.749 -8.312 1.00 0.00 C ATOM 1094 O SER A 72 -8.790 4.553 -9.107 1.00 0.00 O ATOM 1095 CB SER A 72 -8.579 6.153 -6.558 1.00 0.00 C ATOM 1096 OG SER A 72 -8.312 6.304 -5.174 1.00 0.00 O ATOM 0 H SER A 72 -8.141 3.268 -7.054 1.00 0.00 H new ATOM 0 HA SER A 72 -10.363 5.006 -6.280 1.00 0.00 H new ATOM 0 HB2 SER A 72 -7.640 6.087 -7.108 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.105 7.033 -6.929 1.00 0.00 H new ATOM 0 HG SER A 72 -7.913 7.184 -5.012 1.00 0.00 H new ATOM 1102 N ALA A 73 -10.981 4.827 -8.676 1.00 0.00 N ATOM 1103 CA ALA A 73 -11.426 4.539 -10.041 1.00 0.00 C ATOM 1104 C ALA A 73 -10.740 5.417 -11.087 1.00 0.00 C ATOM 1105 O ALA A 73 -10.571 5.002 -12.234 1.00 0.00 O ATOM 1106 CB ALA A 73 -12.936 4.686 -10.138 1.00 0.00 C ATOM 0 H ALA A 73 -11.734 5.090 -8.040 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.141 3.510 -10.259 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -13.258 4.470 -11.157 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.414 3.988 -9.451 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -13.220 5.705 -9.876 1.00 0.00 H new ATOM 1112 N GLY A 74 -10.344 6.620 -10.696 1.00 0.00 N ATOM 1113 CA GLY A 74 -9.674 7.514 -11.621 1.00 0.00 C ATOM 1114 C GLY A 74 -8.172 7.533 -11.418 1.00 0.00 C ATOM 1115 O GLY A 74 -7.586 8.589 -11.169 1.00 0.00 O ATOM 0 H GLY A 74 -10.474 6.994 -9.756 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -9.896 7.208 -12.643 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -10.068 8.523 -11.497 1.00 0.00 H new ATOM 1119 N ALA A 75 -7.541 6.372 -11.529 1.00 0.00 N ATOM 1120 CA ALA A 75 -6.106 6.260 -11.300 1.00 0.00 C ATOM 1121 C ALA A 75 -5.386 5.714 -12.529 1.00 0.00 C ATOM 1122 O ALA A 75 -6.010 5.152 -13.431 1.00 0.00 O ATOM 1123 CB ALA A 75 -5.835 5.378 -10.095 1.00 0.00 C ATOM 0 H ALA A 75 -7.999 5.495 -11.776 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.719 7.260 -11.104 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.760 5.302 -9.934 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.304 5.813 -9.213 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.247 4.384 -10.272 1.00 0.00 H new ATOM 1129 N ARG A 76 -4.070 5.891 -12.555 1.00 0.00 N ATOM 1130 CA ARG A 76 -3.250 5.451 -13.671 1.00 0.00 C ATOM 1131 C ARG A 76 -2.823 4.004 -13.487 1.00 0.00 C ATOM 1132 O ARG A 76 -2.529 3.578 -12.374 1.00 0.00 O ATOM 1133 CB ARG A 76 -2.004 6.335 -13.818 1.00 0.00 C ATOM 1134 CG ARG A 76 -2.322 7.809 -14.025 1.00 0.00 C ATOM 1135 CD ARG A 76 -2.472 8.558 -12.710 1.00 0.00 C ATOM 1136 NE ARG A 76 -3.210 9.805 -12.886 1.00 0.00 N ATOM 1137 CZ ARG A 76 -2.917 10.955 -12.285 1.00 0.00 C ATOM 1138 NH1 ARG A 76 -1.871 11.051 -11.470 1.00 0.00 N ATOM 1139 NH2 ARG A 76 -3.675 12.016 -12.510 1.00 0.00 N ATOM 0 H ARG A 76 -3.546 6.342 -11.805 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.853 5.535 -14.575 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -1.385 6.227 -12.927 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.413 5.978 -14.661 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.529 8.270 -14.615 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -3.243 7.902 -14.601 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -2.989 7.927 -11.987 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -1.486 8.773 -12.298 1.00 0.00 H new ATOM 0 HE ARG A 76 -4.011 9.794 -13.518 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -1.281 10.236 -11.299 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -1.658 11.939 -11.016 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -4.475 11.947 -13.139 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.459 12.903 -12.054 1.00 0.00 H new ATOM 1153 N ALA A 77 -2.785 3.259 -14.580 1.00 0.00 N ATOM 1154 CA ALA A 77 -2.388 1.862 -14.537 1.00 0.00 C ATOM 1155 C ALA A 77 -0.876 1.729 -14.672 1.00 0.00 C ATOM 1156 O ALA A 77 -0.291 2.143 -15.678 1.00 0.00 O ATOM 1157 CB ALA A 77 -3.087 1.074 -15.635 1.00 0.00 C ATOM 0 H ALA A 77 -3.025 3.600 -15.511 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.686 1.453 -13.572 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.777 0.030 -15.587 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.166 1.139 -15.499 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.819 1.488 -16.607 1.00 0.00 H new ATOM 1163 N LEU A 78 -0.260 1.162 -13.644 1.00 0.00 N ATOM 1164 CA LEU A 78 1.181 0.924 -13.628 1.00 0.00 C ATOM 1165 C LEU A 78 1.566 -0.076 -14.710 1.00 0.00 C ATOM 1166 O LEU A 78 0.771 -0.950 -15.063 1.00 0.00 O ATOM 1167 CB LEU A 78 1.607 0.397 -12.256 1.00 0.00 C ATOM 1168 CG LEU A 78 1.910 1.458 -11.189 1.00 0.00 C ATOM 1169 CD1 LEU A 78 0.784 2.478 -11.071 1.00 0.00 C ATOM 1170 CD2 LEU A 78 2.151 0.780 -9.852 1.00 0.00 C ATOM 0 H LEU A 78 -0.741 0.854 -12.799 1.00 0.00 H new ATOM 0 HA LEU A 78 1.693 1.866 -13.825 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.818 -0.254 -11.878 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.495 -0.221 -12.387 1.00 0.00 H new ATOM 0 HG LEU A 78 2.807 1.998 -11.492 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.036 3.212 -10.306 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.649 2.983 -12.027 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -0.140 1.970 -10.796 1.00 0.00 H new ATOM 0 HD21 LEU A 78 2.366 1.534 -9.095 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.262 0.219 -9.563 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.998 0.099 -9.937 1.00 0.00 H new ATOM 1182 N SER A 79 2.778 0.040 -15.236 1.00 0.00 N ATOM 1183 CA SER A 79 3.184 -0.799 -16.347 1.00 0.00 C ATOM 1184 C SER A 79 4.588 -1.380 -16.201 1.00 0.00 C ATOM 1185 O SER A 79 5.554 -0.667 -15.918 1.00 0.00 O ATOM 1186 CB SER A 79 3.074 0.002 -17.645 1.00 0.00 C ATOM 1187 OG SER A 79 3.683 1.279 -17.511 1.00 0.00 O ATOM 0 H SER A 79 3.487 0.699 -14.914 1.00 0.00 H new ATOM 0 HA SER A 79 2.510 -1.656 -16.362 1.00 0.00 H new ATOM 0 HB2 SER A 79 3.550 -0.548 -18.457 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.025 0.122 -17.914 1.00 0.00 H new ATOM 0 HG SER A 79 4.004 1.393 -16.592 1.00 0.00 H new ATOM 1193 N ASP A 80 4.660 -2.696 -16.389 1.00 0.00 N ATOM 1194 CA ASP A 80 5.916 -3.433 -16.537 1.00 0.00 C ATOM 1195 C ASP A 80 6.886 -3.200 -15.392 1.00 0.00 C ATOM 1196 O ASP A 80 6.747 -3.803 -14.331 1.00 0.00 O ATOM 1197 CB ASP A 80 6.570 -3.114 -17.886 1.00 0.00 C ATOM 1198 CG ASP A 80 7.817 -3.939 -18.138 1.00 0.00 C ATOM 1199 OD1 ASP A 80 7.726 -5.183 -18.132 1.00 0.00 O ATOM 1200 OD2 ASP A 80 8.898 -3.344 -18.340 1.00 0.00 O ATOM 0 H ASP A 80 3.834 -3.292 -16.444 1.00 0.00 H new ATOM 0 HA ASP A 80 5.662 -4.493 -16.506 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.852 -3.294 -18.686 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.826 -2.055 -17.920 1.00 0.00 H new ATOM 1205 N ALA A 81 7.841 -2.307 -15.592 1.00 0.00 N ATOM 1206 CA ALA A 81 8.958 -2.191 -14.676 1.00 0.00 C ATOM 1207 C ALA A 81 8.516 -1.708 -13.305 1.00 0.00 C ATOM 1208 O ALA A 81 9.019 -2.173 -12.281 1.00 0.00 O ATOM 1209 CB ALA A 81 10.020 -1.265 -15.245 1.00 0.00 C ATOM 0 H ALA A 81 7.864 -1.656 -16.377 1.00 0.00 H new ATOM 0 HA ALA A 81 9.384 -3.187 -14.554 1.00 0.00 H new ATOM 0 HB1 ALA A 81 10.851 -1.190 -14.544 1.00 0.00 H new ATOM 0 HB2 ALA A 81 10.380 -1.664 -16.193 1.00 0.00 H new ATOM 0 HB3 ALA A 81 9.591 -0.276 -15.407 1.00 0.00 H new ATOM 1215 N GLU A 82 7.556 -0.797 -13.287 1.00 0.00 N ATOM 1216 CA GLU A 82 7.106 -0.203 -12.047 1.00 0.00 C ATOM 1217 C GLU A 82 6.200 -1.168 -11.301 1.00 0.00 C ATOM 1218 O GLU A 82 6.278 -1.275 -10.081 1.00 0.00 O ATOM 1219 CB GLU A 82 6.405 1.126 -12.320 1.00 0.00 C ATOM 1220 CG GLU A 82 5.169 1.003 -13.188 1.00 0.00 C ATOM 1221 CD GLU A 82 4.829 2.294 -13.893 1.00 0.00 C ATOM 1222 OE1 GLU A 82 5.055 3.369 -13.311 1.00 0.00 O ATOM 1223 OE2 GLU A 82 4.371 2.227 -15.053 1.00 0.00 O ATOM 0 H GLU A 82 7.076 -0.455 -14.120 1.00 0.00 H new ATOM 0 HA GLU A 82 7.970 0.001 -11.414 1.00 0.00 H new ATOM 0 HB2 GLU A 82 6.125 1.580 -11.369 1.00 0.00 H new ATOM 0 HB3 GLU A 82 7.109 1.804 -12.802 1.00 0.00 H new ATOM 0 HG2 GLU A 82 5.325 0.218 -13.928 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.324 0.696 -12.571 1.00 0.00 H new ATOM 1230 N THR A 83 5.355 -1.885 -12.037 1.00 0.00 N ATOM 1231 CA THR A 83 4.534 -2.922 -11.440 1.00 0.00 C ATOM 1232 C THR A 83 5.414 -4.050 -10.899 1.00 0.00 C ATOM 1233 O THR A 83 5.144 -4.602 -9.842 1.00 0.00 O ATOM 1234 CB THR A 83 3.544 -3.502 -12.464 1.00 0.00 C ATOM 1235 OG1 THR A 83 3.017 -2.445 -13.276 1.00 0.00 O ATOM 1236 CG2 THR A 83 2.401 -4.221 -11.767 1.00 0.00 C ATOM 0 H THR A 83 5.225 -1.765 -13.041 1.00 0.00 H new ATOM 0 HA THR A 83 3.972 -2.470 -10.623 1.00 0.00 H new ATOM 0 HB THR A 83 4.077 -4.220 -13.088 1.00 0.00 H new ATOM 0 HG1 THR A 83 2.388 -2.817 -13.929 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.715 -4.622 -12.513 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.799 -5.037 -11.164 1.00 0.00 H new ATOM 0 HG23 THR A 83 1.869 -3.520 -11.124 1.00 0.00 H new ATOM 1244 N LYS A 84 6.479 -4.361 -11.632 1.00 0.00 N ATOM 1245 CA LYS A 84 7.403 -5.433 -11.263 1.00 0.00 C ATOM 1246 C LYS A 84 8.054 -5.187 -9.901 1.00 0.00 C ATOM 1247 O LYS A 84 7.938 -6.008 -8.990 1.00 0.00 O ATOM 1248 CB LYS A 84 8.481 -5.572 -12.340 1.00 0.00 C ATOM 1249 CG LYS A 84 9.616 -6.502 -11.959 1.00 0.00 C ATOM 1250 CD LYS A 84 10.577 -6.696 -13.118 1.00 0.00 C ATOM 1251 CE LYS A 84 11.658 -7.708 -12.790 1.00 0.00 C ATOM 1252 NZ LYS A 84 12.577 -7.918 -13.938 1.00 0.00 N ATOM 0 H LYS A 84 6.727 -3.880 -12.496 1.00 0.00 H new ATOM 0 HA LYS A 84 6.830 -6.357 -11.187 1.00 0.00 H new ATOM 0 HB2 LYS A 84 8.019 -5.936 -13.257 1.00 0.00 H new ATOM 0 HB3 LYS A 84 8.891 -4.586 -12.559 1.00 0.00 H new ATOM 0 HG2 LYS A 84 10.152 -6.094 -11.102 1.00 0.00 H new ATOM 0 HG3 LYS A 84 9.212 -7.467 -11.652 1.00 0.00 H new ATOM 0 HD2 LYS A 84 10.024 -7.027 -13.997 1.00 0.00 H new ATOM 0 HD3 LYS A 84 11.038 -5.741 -13.372 1.00 0.00 H new ATOM 0 HE2 LYS A 84 12.227 -7.366 -11.926 1.00 0.00 H new ATOM 0 HE3 LYS A 84 11.197 -8.656 -12.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 13.303 -8.616 -13.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 12.037 -8.268 -14.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 13.035 -7.018 -14.185 1.00 0.00 H new ATOM 1266 N VAL A 85 8.741 -4.061 -9.767 1.00 0.00 N ATOM 1267 CA VAL A 85 9.427 -3.732 -8.523 1.00 0.00 C ATOM 1268 C VAL A 85 8.419 -3.500 -7.393 1.00 0.00 C ATOM 1269 O VAL A 85 8.704 -3.763 -6.221 1.00 0.00 O ATOM 1270 CB VAL A 85 10.347 -2.500 -8.704 1.00 0.00 C ATOM 1271 CG1 VAL A 85 9.568 -1.320 -9.253 1.00 0.00 C ATOM 1272 CG2 VAL A 85 11.041 -2.132 -7.401 1.00 0.00 C ATOM 0 H VAL A 85 8.839 -3.361 -10.502 1.00 0.00 H new ATOM 0 HA VAL A 85 10.055 -4.580 -8.250 1.00 0.00 H new ATOM 0 HB VAL A 85 11.118 -2.765 -9.427 1.00 0.00 H new ATOM 0 HG11 VAL A 85 10.236 -0.467 -9.371 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.141 -1.584 -10.221 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.766 -1.060 -8.562 1.00 0.00 H new ATOM 0 HG21 VAL A 85 11.680 -1.263 -7.562 1.00 0.00 H new ATOM 0 HG22 VAL A 85 10.293 -1.897 -6.644 1.00 0.00 H new ATOM 0 HG23 VAL A 85 11.649 -2.971 -7.063 1.00 0.00 H new ATOM 1282 N PHE A 86 7.232 -3.034 -7.759 1.00 0.00 N ATOM 1283 CA PHE A 86 6.147 -2.841 -6.809 1.00 0.00 C ATOM 1284 C PHE A 86 5.606 -4.193 -6.328 1.00 0.00 C ATOM 1285 O PHE A 86 5.219 -4.337 -5.172 1.00 0.00 O ATOM 1286 CB PHE A 86 5.057 -1.978 -7.460 1.00 0.00 C ATOM 1287 CG PHE A 86 3.777 -1.848 -6.679 1.00 0.00 C ATOM 1288 CD1 PHE A 86 3.793 -1.569 -5.324 1.00 0.00 C ATOM 1289 CD2 PHE A 86 2.554 -1.978 -7.316 1.00 0.00 C ATOM 1290 CE1 PHE A 86 2.615 -1.427 -4.617 1.00 0.00 C ATOM 1291 CE2 PHE A 86 1.374 -1.839 -6.614 1.00 0.00 C ATOM 1292 CZ PHE A 86 1.404 -1.561 -5.262 1.00 0.00 C ATOM 0 H PHE A 86 6.996 -2.781 -8.718 1.00 0.00 H new ATOM 0 HA PHE A 86 6.514 -2.318 -5.926 1.00 0.00 H new ATOM 0 HB2 PHE A 86 5.462 -0.980 -7.629 1.00 0.00 H new ATOM 0 HB3 PHE A 86 4.823 -2.397 -8.439 1.00 0.00 H new ATOM 0 HD1 PHE A 86 4.738 -1.461 -4.813 1.00 0.00 H new ATOM 0 HD2 PHE A 86 2.523 -2.191 -8.374 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.643 -1.211 -3.559 1.00 0.00 H new ATOM 0 HE2 PHE A 86 0.427 -1.948 -7.122 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.482 -1.449 -4.711 1.00 0.00 H new ATOM 1302 N LEU A 87 5.610 -5.189 -7.208 1.00 0.00 N ATOM 1303 CA LEU A 87 5.221 -6.545 -6.832 1.00 0.00 C ATOM 1304 C LEU A 87 6.233 -7.129 -5.859 1.00 0.00 C ATOM 1305 O LEU A 87 5.873 -7.645 -4.804 1.00 0.00 O ATOM 1306 CB LEU A 87 5.121 -7.457 -8.062 1.00 0.00 C ATOM 1307 CG LEU A 87 3.939 -7.196 -8.998 1.00 0.00 C ATOM 1308 CD1 LEU A 87 4.028 -8.085 -10.227 1.00 0.00 C ATOM 1309 CD2 LEU A 87 2.622 -7.427 -8.277 1.00 0.00 C ATOM 0 H LEU A 87 5.878 -5.083 -8.186 1.00 0.00 H new ATOM 0 HA LEU A 87 4.241 -6.489 -6.358 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.042 -7.360 -8.637 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.066 -8.490 -7.720 1.00 0.00 H new ATOM 0 HG LEU A 87 3.980 -6.154 -9.316 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.180 -7.886 -10.882 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.955 -7.876 -10.761 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.013 -9.131 -9.921 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.795 -7.236 -8.960 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.574 -8.459 -7.929 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.551 -6.752 -7.424 1.00 0.00 H new ATOM 1321 N LYS A 88 7.506 -7.013 -6.212 1.00 0.00 N ATOM 1322 CA LYS A 88 8.585 -7.605 -5.428 1.00 0.00 C ATOM 1323 C LYS A 88 8.753 -6.894 -4.088 1.00 0.00 C ATOM 1324 O LYS A 88 9.372 -7.428 -3.164 1.00 0.00 O ATOM 1325 CB LYS A 88 9.886 -7.566 -6.227 1.00 0.00 C ATOM 1326 CG LYS A 88 11.016 -8.375 -5.613 1.00 0.00 C ATOM 1327 CD LYS A 88 10.672 -9.854 -5.594 1.00 0.00 C ATOM 1328 CE LYS A 88 11.840 -10.707 -5.123 1.00 0.00 C ATOM 1329 NZ LYS A 88 12.267 -10.364 -3.739 1.00 0.00 N ATOM 0 H LYS A 88 7.820 -6.511 -7.042 1.00 0.00 H new ATOM 0 HA LYS A 88 8.328 -8.643 -5.217 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.693 -7.937 -7.233 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.208 -6.529 -6.326 1.00 0.00 H new ATOM 0 HG2 LYS A 88 11.933 -8.218 -6.181 1.00 0.00 H new ATOM 0 HG3 LYS A 88 11.207 -8.028 -4.597 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.816 -10.018 -4.939 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.373 -10.169 -6.594 1.00 0.00 H new ATOM 0 HE2 LYS A 88 11.558 -11.759 -5.164 1.00 0.00 H new ATOM 0 HE3 LYS A 88 12.681 -10.575 -5.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 13.007 -11.026 -3.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 12.641 -9.394 -3.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.452 -10.433 -3.097 1.00 0.00 H new ATOM 1343 N ALA A 89 8.200 -5.690 -3.986 1.00 0.00 N ATOM 1344 CA ALA A 89 8.188 -4.953 -2.728 1.00 0.00 C ATOM 1345 C ALA A 89 7.446 -5.744 -1.665 1.00 0.00 C ATOM 1346 O ALA A 89 7.718 -5.624 -0.469 1.00 0.00 O ATOM 1347 CB ALA A 89 7.532 -3.593 -2.908 1.00 0.00 C ATOM 0 H ALA A 89 7.753 -5.203 -4.762 1.00 0.00 H new ATOM 0 HA ALA A 89 9.220 -4.804 -2.410 1.00 0.00 H new ATOM 0 HB1 ALA A 89 7.533 -3.060 -1.957 1.00 0.00 H new ATOM 0 HB2 ALA A 89 8.087 -3.017 -3.648 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.505 -3.727 -3.247 1.00 0.00 H new ATOM 1353 N GLY A 90 6.519 -6.568 -2.121 1.00 0.00 N ATOM 1354 CA GLY A 90 5.716 -7.354 -1.219 1.00 0.00 C ATOM 1355 C GLY A 90 5.912 -8.830 -1.446 1.00 0.00 C ATOM 1356 O GLY A 90 6.324 -9.552 -0.540 1.00 0.00 O ATOM 0 H GLY A 90 6.309 -6.706 -3.110 1.00 0.00 H new ATOM 0 HA2 GLY A 90 5.975 -7.106 -0.190 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.664 -7.101 -1.353 1.00 0.00 H new ATOM 1360 N ASP A 91 5.627 -9.275 -2.664 1.00 0.00 N ATOM 1361 CA ASP A 91 5.778 -10.677 -3.020 1.00 0.00 C ATOM 1362 C ASP A 91 7.248 -11.064 -2.933 1.00 0.00 C ATOM 1363 O ASP A 91 8.053 -10.674 -3.780 1.00 0.00 O ATOM 1364 CB ASP A 91 5.257 -10.935 -4.425 1.00 0.00 C ATOM 1365 CG ASP A 91 4.978 -12.400 -4.648 1.00 0.00 C ATOM 1366 OD1 ASP A 91 4.015 -12.933 -4.060 1.00 0.00 O ATOM 1367 OD2 ASP A 91 5.722 -13.063 -5.379 1.00 0.00 O ATOM 0 H ASP A 91 5.289 -8.682 -3.422 1.00 0.00 H new ATOM 0 HA ASP A 91 5.197 -11.282 -2.324 1.00 0.00 H new ATOM 0 HB2 ASP A 91 4.345 -10.361 -4.588 1.00 0.00 H new ATOM 0 HB3 ASP A 91 5.988 -10.587 -5.155 1.00 0.00 H new ATOM 1372 N SER A 92 7.597 -11.831 -1.917 1.00 0.00 N ATOM 1373 CA SER A 92 8.993 -12.088 -1.613 1.00 0.00 C ATOM 1374 C SER A 92 9.505 -13.244 -2.447 1.00 0.00 C ATOM 1375 O SER A 92 10.697 -13.339 -2.740 1.00 0.00 O ATOM 1376 CB SER A 92 9.166 -12.373 -0.117 1.00 0.00 C ATOM 1377 OG SER A 92 8.295 -13.410 0.315 1.00 0.00 O ATOM 0 H SER A 92 6.935 -12.286 -1.289 1.00 0.00 H new ATOM 0 HA SER A 92 9.579 -11.203 -1.861 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.199 -12.655 0.085 1.00 0.00 H new ATOM 0 HB3 SER A 92 8.966 -11.466 0.454 1.00 0.00 H new ATOM 0 HG SER A 92 7.377 -13.070 0.358 1.00 0.00 H new ATOM 1383 N ASP A 93 8.589 -14.106 -2.847 1.00 0.00 N ATOM 1384 CA ASP A 93 8.947 -15.282 -3.627 1.00 0.00 C ATOM 1385 C ASP A 93 9.053 -14.946 -5.114 1.00 0.00 C ATOM 1386 O ASP A 93 9.752 -15.622 -5.867 1.00 0.00 O ATOM 1387 CB ASP A 93 7.949 -16.422 -3.392 1.00 0.00 C ATOM 1388 CG ASP A 93 6.559 -16.116 -3.905 1.00 0.00 C ATOM 1389 OD1 ASP A 93 5.991 -15.062 -3.542 1.00 0.00 O ATOM 1390 OD2 ASP A 93 6.008 -16.934 -4.659 1.00 0.00 O ATOM 0 H ASP A 93 7.593 -14.017 -2.647 1.00 0.00 H new ATOM 0 HA ASP A 93 9.928 -15.619 -3.290 1.00 0.00 H new ATOM 0 HB2 ASP A 93 8.318 -17.325 -3.879 1.00 0.00 H new ATOM 0 HB3 ASP A 93 7.896 -16.635 -2.324 1.00 0.00 H new ATOM 1395 N GLY A 94 8.363 -13.882 -5.519 1.00 0.00 N ATOM 1396 CA GLY A 94 8.506 -13.354 -6.866 1.00 0.00 C ATOM 1397 C GLY A 94 7.750 -14.154 -7.907 1.00 0.00 C ATOM 1398 O GLY A 94 8.260 -14.393 -9.002 1.00 0.00 O ATOM 0 H GLY A 94 7.702 -13.372 -4.933 1.00 0.00 H new ATOM 0 HA2 GLY A 94 8.153 -12.323 -6.884 1.00 0.00 H new ATOM 0 HA3 GLY A 94 9.563 -13.334 -7.131 1.00 0.00 H new ATOM 1402 N ASP A 95 6.520 -14.540 -7.589 1.00 0.00 N ATOM 1403 CA ASP A 95 5.740 -15.394 -8.481 1.00 0.00 C ATOM 1404 C ASP A 95 4.763 -14.580 -9.334 1.00 0.00 C ATOM 1405 O ASP A 95 3.793 -15.117 -9.872 1.00 0.00 O ATOM 1406 CB ASP A 95 4.997 -16.486 -7.695 1.00 0.00 C ATOM 1407 CG ASP A 95 3.857 -15.960 -6.844 1.00 0.00 C ATOM 1408 OD1 ASP A 95 4.119 -15.227 -5.857 1.00 0.00 O ATOM 1409 OD2 ASP A 95 2.690 -16.293 -7.141 1.00 0.00 O ATOM 0 H ASP A 95 6.042 -14.278 -6.727 1.00 0.00 H new ATOM 0 HA ASP A 95 6.443 -15.880 -9.157 1.00 0.00 H new ATOM 0 HB2 ASP A 95 4.605 -17.222 -8.397 1.00 0.00 H new ATOM 0 HB3 ASP A 95 5.708 -17.005 -7.052 1.00 0.00 H new ATOM 1414 N GLY A 96 5.027 -13.283 -9.457 1.00 0.00 N ATOM 1415 CA GLY A 96 4.250 -12.450 -10.365 1.00 0.00 C ATOM 1416 C GLY A 96 2.906 -12.033 -9.801 1.00 0.00 C ATOM 1417 O GLY A 96 1.951 -11.824 -10.546 1.00 0.00 O ATOM 0 H GLY A 96 5.762 -12.793 -8.947 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.826 -11.557 -10.609 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.092 -12.992 -11.297 1.00 0.00 H new ATOM 1421 N LYS A 97 2.832 -11.924 -8.487 1.00 0.00 N ATOM 1422 CA LYS A 97 1.594 -11.561 -7.810 1.00 0.00 C ATOM 1423 C LYS A 97 1.902 -10.725 -6.600 1.00 0.00 C ATOM 1424 O LYS A 97 3.058 -10.455 -6.291 1.00 0.00 O ATOM 1425 CB LYS A 97 0.843 -12.815 -7.346 1.00 0.00 C ATOM 1426 CG LYS A 97 1.527 -13.547 -6.197 1.00 0.00 C ATOM 1427 CD LYS A 97 0.526 -14.127 -5.211 1.00 0.00 C ATOM 1428 CE LYS A 97 -0.331 -15.207 -5.846 1.00 0.00 C ATOM 1429 NZ LYS A 97 -1.137 -15.939 -4.835 1.00 0.00 N ATOM 0 H LYS A 97 3.621 -12.083 -7.860 1.00 0.00 H new ATOM 0 HA LYS A 97 0.976 -11.003 -8.513 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.163 -12.532 -7.037 1.00 0.00 H new ATOM 0 HB3 LYS A 97 0.738 -13.498 -8.189 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.147 -14.349 -6.597 1.00 0.00 H new ATOM 0 HG3 LYS A 97 2.193 -12.859 -5.675 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.058 -14.542 -4.355 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -0.115 -13.330 -4.833 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.995 -14.757 -6.583 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.308 -15.911 -6.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.364 -16.888 -5.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.593 -16.023 -3.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -2.018 -15.418 -4.650 1.00 0.00 H new ATOM 1443 N ILE A 98 0.856 -10.307 -5.941 1.00 0.00 N ATOM 1444 CA ILE A 98 0.964 -9.756 -4.626 1.00 0.00 C ATOM 1445 C ILE A 98 0.280 -10.687 -3.652 1.00 0.00 C ATOM 1446 O ILE A 98 -0.950 -10.804 -3.641 1.00 0.00 O ATOM 1447 CB ILE A 98 0.344 -8.350 -4.531 1.00 0.00 C ATOM 1448 CG1 ILE A 98 1.288 -7.304 -5.119 1.00 0.00 C ATOM 1449 CG2 ILE A 98 0.009 -8.002 -3.095 1.00 0.00 C ATOM 1450 CD1 ILE A 98 2.625 -7.224 -4.414 1.00 0.00 C ATOM 0 H ILE A 98 -0.096 -10.341 -6.305 1.00 0.00 H new ATOM 0 HA ILE A 98 2.022 -9.656 -4.383 1.00 0.00 H new ATOM 0 HB ILE A 98 -0.580 -8.352 -5.110 1.00 0.00 H new ATOM 0 HG12 ILE A 98 1.456 -7.530 -6.172 1.00 0.00 H new ATOM 0 HG13 ILE A 98 0.806 -6.327 -5.076 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -0.428 -7.004 -3.055 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -0.705 -8.726 -2.702 1.00 0.00 H new ATOM 0 HG23 ILE A 98 0.918 -8.025 -2.494 1.00 0.00 H new ATOM 0 HD11 ILE A 98 3.241 -6.460 -4.888 1.00 0.00 H new ATOM 0 HD12 ILE A 98 2.469 -6.967 -3.366 1.00 0.00 H new ATOM 0 HD13 ILE A 98 3.129 -8.188 -4.480 1.00 0.00 H new ATOM 1462 N GLY A 99 1.074 -11.411 -2.891 1.00 0.00 N ATOM 1463 CA GLY A 99 0.517 -12.145 -1.794 1.00 0.00 C ATOM 1464 C GLY A 99 -0.132 -11.183 -0.833 1.00 0.00 C ATOM 1465 O GLY A 99 0.405 -10.107 -0.582 1.00 0.00 O ATOM 0 H GLY A 99 2.083 -11.501 -3.013 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -0.216 -12.865 -2.158 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.297 -12.713 -1.287 1.00 0.00 H new ATOM 1469 N VAL A 100 -1.289 -11.535 -0.329 1.00 0.00 N ATOM 1470 CA VAL A 100 -2.010 -10.672 0.586 1.00 0.00 C ATOM 1471 C VAL A 100 -1.141 -10.312 1.788 1.00 0.00 C ATOM 1472 O VAL A 100 -0.992 -9.139 2.134 1.00 0.00 O ATOM 1473 CB VAL A 100 -3.316 -11.355 1.014 1.00 0.00 C ATOM 1474 CG1 VAL A 100 -3.830 -10.837 2.346 1.00 0.00 C ATOM 1475 CG2 VAL A 100 -4.363 -11.171 -0.076 1.00 0.00 C ATOM 0 H VAL A 100 -1.757 -12.417 -0.536 1.00 0.00 H new ATOM 0 HA VAL A 100 -2.260 -9.739 0.081 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.111 -12.417 1.152 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -4.756 -11.352 2.604 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.085 -11.021 3.120 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.019 -9.766 2.271 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.292 -11.655 0.226 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.543 -10.107 -0.232 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -4.005 -11.618 -1.003 1.00 0.00 H new ATOM 1485 N ASP A 101 -0.521 -11.316 2.381 1.00 0.00 N ATOM 1486 CA ASP A 101 0.387 -11.094 3.496 1.00 0.00 C ATOM 1487 C ASP A 101 1.649 -10.383 3.010 1.00 0.00 C ATOM 1488 O ASP A 101 2.233 -9.557 3.721 1.00 0.00 O ATOM 1489 CB ASP A 101 0.741 -12.425 4.152 1.00 0.00 C ATOM 1490 CG ASP A 101 1.635 -12.255 5.365 1.00 0.00 C ATOM 1491 OD1 ASP A 101 1.138 -11.813 6.422 1.00 0.00 O ATOM 1492 OD2 ASP A 101 2.840 -12.563 5.270 1.00 0.00 O ATOM 0 H ASP A 101 -0.628 -12.294 2.111 1.00 0.00 H new ATOM 0 HA ASP A 101 -0.104 -10.461 4.236 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -0.175 -12.935 4.449 1.00 0.00 H new ATOM 0 HB3 ASP A 101 1.240 -13.064 3.424 1.00 0.00 H new ATOM 1497 N GLU A 102 2.040 -10.700 1.779 1.00 0.00 N ATOM 1498 CA GLU A 102 3.191 -10.075 1.137 1.00 0.00 C ATOM 1499 C GLU A 102 2.995 -8.558 1.040 1.00 0.00 C ATOM 1500 O GLU A 102 3.909 -7.784 1.319 1.00 0.00 O ATOM 1501 CB GLU A 102 3.400 -10.659 -0.270 1.00 0.00 C ATOM 1502 CG GLU A 102 3.611 -12.171 -0.314 1.00 0.00 C ATOM 1503 CD GLU A 102 4.913 -12.605 0.321 1.00 0.00 C ATOM 1504 OE1 GLU A 102 5.065 -12.453 1.550 1.00 0.00 O ATOM 1505 OE2 GLU A 102 5.789 -13.116 -0.407 1.00 0.00 O ATOM 0 H GLU A 102 1.569 -11.395 1.200 1.00 0.00 H new ATOM 0 HA GLU A 102 4.073 -10.280 1.744 1.00 0.00 H new ATOM 0 HB2 GLU A 102 2.534 -10.410 -0.883 1.00 0.00 H new ATOM 0 HB3 GLU A 102 4.263 -10.173 -0.725 1.00 0.00 H new ATOM 0 HG2 GLU A 102 2.783 -12.663 0.196 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.590 -12.505 -1.351 1.00 0.00 H new ATOM 1512 N PHE A 103 1.789 -8.141 0.654 1.00 0.00 N ATOM 1513 CA PHE A 103 1.483 -6.723 0.472 1.00 0.00 C ATOM 1514 C PHE A 103 1.533 -5.984 1.798 1.00 0.00 C ATOM 1515 O PHE A 103 2.108 -4.899 1.890 1.00 0.00 O ATOM 1516 CB PHE A 103 0.103 -6.537 -0.158 1.00 0.00 C ATOM 1517 CG PHE A 103 -0.114 -5.161 -0.725 1.00 0.00 C ATOM 1518 CD1 PHE A 103 0.498 -4.785 -1.908 1.00 0.00 C ATOM 1519 CD2 PHE A 103 -0.923 -4.245 -0.078 1.00 0.00 C ATOM 1520 CE1 PHE A 103 0.309 -3.524 -2.437 1.00 0.00 C ATOM 1521 CE2 PHE A 103 -1.118 -2.980 -0.603 1.00 0.00 C ATOM 1522 CZ PHE A 103 -0.501 -2.619 -1.782 1.00 0.00 C ATOM 0 H PHE A 103 1.007 -8.767 0.461 1.00 0.00 H new ATOM 0 HA PHE A 103 2.238 -6.310 -0.197 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -0.029 -7.273 -0.951 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -0.661 -6.737 0.593 1.00 0.00 H new ATOM 0 HD1 PHE A 103 1.133 -5.489 -2.425 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -1.408 -4.520 0.847 1.00 0.00 H new ATOM 0 HE1 PHE A 103 0.794 -3.246 -3.361 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.754 -2.275 -0.089 1.00 0.00 H new ATOM 0 HZ PHE A 103 -0.651 -1.631 -2.192 1.00 0.00 H new ATOM 1532 N GLY A 104 0.931 -6.581 2.823 1.00 0.00 N ATOM 1533 CA GLY A 104 0.940 -5.980 4.145 1.00 0.00 C ATOM 1534 C GLY A 104 2.350 -5.713 4.629 1.00 0.00 C ATOM 1535 O GLY A 104 2.604 -4.735 5.336 1.00 0.00 O ATOM 0 H GLY A 104 0.437 -7.471 2.761 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.379 -5.045 4.124 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.433 -6.640 4.848 1.00 0.00 H new ATOM 1539 N ALA A 105 3.270 -6.576 4.217 1.00 0.00 N ATOM 1540 CA ALA A 105 4.671 -6.431 4.570 1.00 0.00 C ATOM 1541 C ALA A 105 5.296 -5.206 3.907 1.00 0.00 C ATOM 1542 O ALA A 105 6.169 -4.573 4.487 1.00 0.00 O ATOM 1543 CB ALA A 105 5.441 -7.687 4.190 1.00 0.00 C ATOM 0 H ALA A 105 3.066 -7.388 3.634 1.00 0.00 H new ATOM 0 HA ALA A 105 4.728 -6.288 5.649 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.490 -7.566 4.460 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.026 -8.543 4.722 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.359 -7.853 3.116 1.00 0.00 H new ATOM 1549 N MET A 106 4.841 -4.859 2.705 1.00 0.00 N ATOM 1550 CA MET A 106 5.415 -3.721 1.987 1.00 0.00 C ATOM 1551 C MET A 106 4.813 -2.410 2.486 1.00 0.00 C ATOM 1552 O MET A 106 5.406 -1.346 2.322 1.00 0.00 O ATOM 1553 CB MET A 106 5.217 -3.846 0.467 1.00 0.00 C ATOM 1554 CG MET A 106 4.063 -3.019 -0.083 1.00 0.00 C ATOM 1555 SD MET A 106 4.116 -2.835 -1.875 1.00 0.00 S ATOM 1556 CE MET A 106 3.845 -4.524 -2.399 1.00 0.00 C ATOM 0 H MET A 106 4.088 -5.340 2.213 1.00 0.00 H new ATOM 0 HA MET A 106 6.487 -3.721 2.187 1.00 0.00 H new ATOM 0 HB2 MET A 106 6.137 -3.544 -0.034 1.00 0.00 H new ATOM 0 HB3 MET A 106 5.049 -4.894 0.219 1.00 0.00 H new ATOM 0 HG2 MET A 106 3.121 -3.488 0.200 1.00 0.00 H new ATOM 0 HG3 MET A 106 4.079 -2.032 0.378 1.00 0.00 H new ATOM 0 HE1 MET A 106 4.768 -4.929 -2.813 1.00 0.00 H new ATOM 0 HE2 MET A 106 3.536 -5.125 -1.544 1.00 0.00 H new ATOM 0 HE3 MET A 106 3.065 -4.548 -3.160 1.00 0.00 H new ATOM 1566 N ILE A 107 3.635 -2.494 3.093 1.00 0.00 N ATOM 1567 CA ILE A 107 2.969 -1.316 3.635 1.00 0.00 C ATOM 1568 C ILE A 107 3.639 -0.927 4.938 1.00 0.00 C ATOM 1569 O ILE A 107 3.816 0.250 5.256 1.00 0.00 O ATOM 1570 CB ILE A 107 1.472 -1.583 3.898 1.00 0.00 C ATOM 1571 CG1 ILE A 107 0.779 -2.070 2.626 1.00 0.00 C ATOM 1572 CG2 ILE A 107 0.794 -0.327 4.418 1.00 0.00 C ATOM 1573 CD1 ILE A 107 -0.669 -2.448 2.840 1.00 0.00 C ATOM 0 H ILE A 107 3.121 -3.366 3.222 1.00 0.00 H new ATOM 0 HA ILE A 107 3.048 -0.511 2.904 1.00 0.00 H new ATOM 0 HB ILE A 107 1.391 -2.363 4.655 1.00 0.00 H new ATOM 0 HG12 ILE A 107 0.835 -1.288 1.868 1.00 0.00 H new ATOM 0 HG13 ILE A 107 1.318 -2.933 2.234 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.261 -0.531 4.599 1.00 0.00 H new ATOM 0 HG22 ILE A 107 1.268 -0.017 5.349 1.00 0.00 H new ATOM 0 HG23 ILE A 107 0.888 0.469 3.680 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -1.100 -2.785 1.897 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.731 -3.251 3.575 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.222 -1.581 3.203 1.00 0.00 H new ATOM 1585 N LYS A 108 4.017 -1.949 5.678 1.00 0.00 N ATOM 1586 CA LYS A 108 4.696 -1.784 6.946 1.00 0.00 C ATOM 1587 C LYS A 108 6.193 -1.585 6.712 1.00 0.00 C ATOM 1588 O LYS A 108 6.877 -0.930 7.504 1.00 0.00 O ATOM 1589 CB LYS A 108 4.404 -3.015 7.816 1.00 0.00 C ATOM 1590 CG LYS A 108 5.165 -3.081 9.136 1.00 0.00 C ATOM 1591 CD LYS A 108 6.547 -3.699 8.975 1.00 0.00 C ATOM 1592 CE LYS A 108 6.474 -5.165 8.575 1.00 0.00 C ATOM 1593 NZ LYS A 108 7.823 -5.733 8.321 1.00 0.00 N ATOM 0 H LYS A 108 3.861 -2.922 5.415 1.00 0.00 H new ATOM 0 HA LYS A 108 4.334 -0.898 7.468 1.00 0.00 H new ATOM 0 HB2 LYS A 108 3.336 -3.041 8.031 1.00 0.00 H new ATOM 0 HB3 LYS A 108 4.635 -3.910 7.238 1.00 0.00 H new ATOM 0 HG2 LYS A 108 5.264 -2.076 9.546 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.590 -3.664 9.856 1.00 0.00 H new ATOM 0 HD2 LYS A 108 7.106 -3.145 8.221 1.00 0.00 H new ATOM 0 HD3 LYS A 108 7.097 -3.606 9.912 1.00 0.00 H new ATOM 0 HE2 LYS A 108 5.982 -5.734 9.364 1.00 0.00 H new ATOM 0 HE3 LYS A 108 5.861 -5.268 7.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 7.729 -6.707 7.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 8.315 -5.155 7.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 8.371 -5.735 9.205 1.00 0.00 H new ATOM 1607 N ALA A 109 6.675 -2.139 5.604 1.00 0.00 N ATOM 1608 CA ALA A 109 8.083 -2.080 5.225 1.00 0.00 C ATOM 1609 C ALA A 109 8.956 -2.759 6.275 1.00 0.00 C ATOM 1610 O ALA A 109 8.822 -3.993 6.445 1.00 0.00 O ATOM 1611 CB ALA A 109 8.524 -0.639 4.990 1.00 0.00 C ATOM 1612 OXT ALA A 109 9.780 -2.070 6.913 1.00 0.00 O ATOM 0 H ALA A 109 6.094 -2.647 4.937 1.00 0.00 H new ATOM 0 HA ALA A 109 8.205 -2.622 4.287 1.00 0.00 H new ATOM 0 HB1 ALA A 109 9.577 -0.622 4.709 1.00 0.00 H new ATOM 0 HB2 ALA A 109 7.927 -0.202 4.189 1.00 0.00 H new ATOM 0 HB3 ALA A 109 8.383 -0.062 5.904 1.00 0.00 H new