USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 706 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 56 ASN :FLIP amide:sc= 1.02 F(o=-3.4,f=0.7) USER MOD Set 1.2: A 100 GLN : amide:sc= -0.314 K(o=0.7,f=-8.8!) USER MOD Single : A 27 SER OG : rot 20:sc= 0.359 USER MOD Single : A 28 LYS NZ :NH3+ 175:sc=-0.00265 (180deg=-0.0617) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.253 X(o=-0.25,f=-0.14) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN :FLIP amide:sc= -4.78! C(o=-6.4!,f=-4.8!) USER MOD Single : A 51 ASN : amide:sc= -0.0552 K(o=-0.055,f=-1.4!) USER MOD Single : A 52 ASN : amide:sc=-0.00768 K(o=-0.0077,f=-1.4) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -0.191 X(o=-0.19,f=0.028) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= -1.04 USER MOD Single : A 76 SER OG : rot 180:sc= 0.276 USER MOD Single : A 77 THR OG1 : rot 150:sc= -0.184 USER MOD Single : A 80 ASN : amide:sc= -0.0361 K(o=-0.036,f=-1.9!) USER MOD Single : A 83 CYS SG : rot -159:sc= -0.305 USER MOD Single : A 88 THR OG1 : rot -150:sc= -0.986 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -2.77 K(o=-2.8,f=-11!) USER MOD Single : A 94 ASN : amide:sc= -0.275 K(o=-0.28,f=-2.2!) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 HIS : no HD1:sc= -0.0828 X(o=-0.083,f=-0.0073) USER MOD Single : A 107 ASN : amide:sc= -0.211 K(o=-0.21,f=-0.97) USER MOD Single : A 110 HIS : no HD1:sc= -0.195 X(o=-0.19,f=-0.037) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 27 -9.129 -14.057 -5.245 1.00 0.00 N ATOM 16 CA SER A 27 -8.311 -14.193 -6.446 1.00 0.00 C ATOM 17 C SER A 27 -7.689 -12.857 -6.838 1.00 0.00 C ATOM 18 O SER A 27 -6.469 -12.699 -6.813 1.00 0.00 O ATOM 19 CB SER A 27 -9.145 -14.742 -7.606 1.00 0.00 C ATOM 20 OG SER A 27 -10.042 -15.744 -7.160 1.00 0.00 O ATOM 0 HA SER A 27 -7.508 -14.896 -6.225 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.704 -13.931 -8.072 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.485 -15.154 -8.369 1.00 0.00 H new ATOM 0 HG SER A 27 -10.170 -15.661 -6.192 1.00 0.00 H new ATOM 25 N LYS A 28 -8.534 -11.898 -7.200 1.00 0.00 N ATOM 26 CA LYS A 28 -8.063 -10.578 -7.590 1.00 0.00 C ATOM 27 C LYS A 28 -8.880 -9.478 -6.926 1.00 0.00 C ATOM 28 O LYS A 28 -10.109 -9.473 -7.000 1.00 0.00 O ATOM 29 CB LYS A 28 -8.132 -10.425 -9.110 1.00 0.00 C ATOM 30 CG LYS A 28 -7.202 -11.366 -9.866 1.00 0.00 C ATOM 31 CD LYS A 28 -5.913 -10.673 -10.264 1.00 0.00 C ATOM 32 CE LYS A 28 -5.989 -10.141 -11.693 1.00 0.00 C ATOM 33 NZ LYS A 28 -6.728 -8.850 -11.763 1.00 0.00 N ATOM 0 H LYS A 28 -9.547 -12.012 -7.231 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.029 -10.481 -7.259 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.157 -10.601 -9.437 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -7.886 -9.396 -9.374 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.974 -12.231 -9.244 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.706 -11.739 -10.758 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.713 -9.850 -9.577 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.080 -11.371 -10.177 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.981 -10.005 -12.084 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.481 -10.877 -12.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -6.686 -8.478 -12.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.721 -9.003 -11.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.294 -8.166 -11.111 1.00 0.00 H new ATOM 47 N GLN A 29 -8.191 -8.546 -6.274 1.00 0.00 N ATOM 48 CA GLN A 29 -8.857 -7.442 -5.594 1.00 0.00 C ATOM 49 C GLN A 29 -8.091 -6.140 -5.788 1.00 0.00 C ATOM 50 O GLN A 29 -6.860 -6.131 -5.822 1.00 0.00 O ATOM 51 CB GLN A 29 -9.007 -7.745 -4.103 1.00 0.00 C ATOM 52 CG GLN A 29 -10.324 -7.263 -3.513 1.00 0.00 C ATOM 53 CD GLN A 29 -11.435 -8.283 -3.659 1.00 0.00 C ATOM 54 OE1 GLN A 29 -11.332 -9.407 -3.166 1.00 0.00 O ATOM 55 NE2 GLN A 29 -12.507 -7.895 -4.341 1.00 0.00 N ATOM 0 H GLN A 29 -7.174 -8.534 -6.203 1.00 0.00 H new ATOM 0 HA GLN A 29 -9.848 -7.326 -6.033 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -8.922 -8.821 -3.949 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.184 -7.279 -3.561 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.183 -7.034 -2.457 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -10.620 -6.336 -4.004 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.550 -6.954 -4.732 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -13.288 -8.538 -4.473 1.00 0.00 H new ATOM 64 N GLU A 30 -8.828 -5.045 -5.928 1.00 0.00 N ATOM 65 CA GLU A 30 -8.218 -3.739 -6.123 1.00 0.00 C ATOM 66 C GLU A 30 -8.892 -2.672 -5.266 1.00 0.00 C ATOM 67 O GLU A 30 -10.095 -2.442 -5.377 1.00 0.00 O ATOM 68 CB GLU A 30 -8.291 -3.355 -7.606 1.00 0.00 C ATOM 69 CG GLU A 30 -9.661 -2.864 -8.050 1.00 0.00 C ATOM 70 CD GLU A 30 -9.952 -3.186 -9.505 1.00 0.00 C ATOM 71 OE1 GLU A 30 -10.228 -4.366 -9.808 1.00 0.00 O ATOM 72 OE2 GLU A 30 -9.905 -2.258 -10.340 1.00 0.00 O ATOM 0 H GLU A 30 -9.848 -5.037 -5.910 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.175 -3.799 -5.812 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.555 -2.577 -7.806 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.013 -4.219 -8.209 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.427 -3.317 -7.421 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.723 -1.786 -7.901 1.00 0.00 H new ATOM 79 N LEU A 31 -8.108 -2.020 -4.414 1.00 0.00 N ATOM 80 CA LEU A 31 -8.631 -0.973 -3.544 1.00 0.00 C ATOM 81 C LEU A 31 -8.364 0.405 -4.143 1.00 0.00 C ATOM 82 O LEU A 31 -7.257 0.933 -4.042 1.00 0.00 O ATOM 83 CB LEU A 31 -8.003 -1.071 -2.152 1.00 0.00 C ATOM 84 CG LEU A 31 -8.150 -2.434 -1.469 1.00 0.00 C ATOM 85 CD1 LEU A 31 -6.821 -3.172 -1.455 1.00 0.00 C ATOM 86 CD2 LEU A 31 -8.685 -2.269 -0.054 1.00 0.00 C ATOM 0 H LEU A 31 -7.109 -2.198 -4.307 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.708 -1.111 -3.453 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.942 -0.834 -2.231 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -8.453 -0.311 -1.513 1.00 0.00 H new ATOM 0 HG LEU A 31 -8.865 -3.027 -2.039 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.946 -4.138 -0.966 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.479 -3.325 -2.479 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.083 -2.583 -0.911 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.782 -3.248 0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.996 -1.656 0.526 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -9.661 -1.784 -0.088 1.00 0.00 H new ATOM 98 N ILE A 32 -9.381 0.979 -4.774 1.00 0.00 N ATOM 99 CA ILE A 32 -9.250 2.290 -5.394 1.00 0.00 C ATOM 100 C ILE A 32 -9.811 3.391 -4.502 1.00 0.00 C ATOM 101 O ILE A 32 -10.933 3.290 -4.006 1.00 0.00 O ATOM 102 CB ILE A 32 -9.966 2.340 -6.757 1.00 0.00 C ATOM 103 CG1 ILE A 32 -11.439 1.951 -6.602 1.00 0.00 C ATOM 104 CG2 ILE A 32 -9.271 1.422 -7.748 1.00 0.00 C ATOM 105 CD1 ILE A 32 -12.401 3.035 -7.035 1.00 0.00 C ATOM 0 H ILE A 32 -10.305 0.557 -4.869 1.00 0.00 H new ATOM 0 HA ILE A 32 -8.183 2.458 -5.540 1.00 0.00 H new ATOM 0 HB ILE A 32 -9.921 3.360 -7.139 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -11.632 1.051 -7.186 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -11.632 1.701 -5.559 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -9.786 1.466 -8.708 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -8.237 1.741 -7.876 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -9.291 0.399 -7.372 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -13.425 2.689 -6.897 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -12.236 3.929 -6.434 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -12.236 3.269 -8.087 1.00 0.00 H new ATOM 117 N LEU A 33 -9.024 4.444 -4.307 1.00 0.00 N ATOM 118 CA LEU A 33 -9.442 5.570 -3.481 1.00 0.00 C ATOM 119 C LEU A 33 -8.434 6.711 -3.578 1.00 0.00 C ATOM 120 O LEU A 33 -7.656 6.782 -4.527 1.00 0.00 O ATOM 121 CB LEU A 33 -9.620 5.127 -2.025 1.00 0.00 C ATOM 122 CG LEU A 33 -10.988 5.460 -1.419 1.00 0.00 C ATOM 123 CD1 LEU A 33 -11.750 4.187 -1.080 1.00 0.00 C ATOM 124 CD2 LEU A 33 -10.834 6.337 -0.184 1.00 0.00 C ATOM 0 H LEU A 33 -8.092 4.541 -4.710 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.402 5.932 -3.850 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.463 4.050 -1.965 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.845 5.596 -1.419 1.00 0.00 H new ATOM 0 HG LEU A 33 -11.561 6.015 -2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.718 4.446 -0.651 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.900 3.600 -1.986 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.179 3.602 -0.359 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -11.818 6.560 0.229 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.238 5.812 0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.336 7.267 -0.458 1.00 0.00 H new ATOM 136 N VAL A 34 -8.457 7.608 -2.598 1.00 0.00 N ATOM 137 CA VAL A 34 -7.548 8.749 -2.589 1.00 0.00 C ATOM 138 C VAL A 34 -7.816 9.669 -3.776 1.00 0.00 C ATOM 139 O VAL A 34 -7.805 9.222 -4.920 1.00 0.00 O ATOM 140 CB VAL A 34 -6.076 8.297 -2.619 1.00 0.00 C ATOM 141 CG1 VAL A 34 -5.156 9.477 -2.398 1.00 0.00 C ATOM 142 CG2 VAL A 34 -5.828 7.216 -1.579 1.00 0.00 C ATOM 0 H VAL A 34 -9.093 7.568 -1.802 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.729 9.294 -1.662 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.863 7.877 -3.602 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.120 9.140 -2.422 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.316 10.215 -3.184 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.368 9.927 -1.428 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -4.783 6.909 -1.615 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.058 7.606 -0.587 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.466 6.357 -1.788 1.00 0.00 H new ATOM 152 N LEU A 35 -8.058 10.931 -3.484 1.00 0.00 N ATOM 153 CA LEU A 35 -8.345 11.915 -4.509 1.00 0.00 C ATOM 154 C LEU A 35 -7.520 13.175 -4.308 1.00 0.00 C ATOM 155 O LEU A 35 -6.815 13.310 -3.305 1.00 0.00 O ATOM 156 CB LEU A 35 -9.833 12.251 -4.494 1.00 0.00 C ATOM 157 CG LEU A 35 -10.492 12.382 -5.866 1.00 0.00 C ATOM 158 CD1 LEU A 35 -10.665 11.021 -6.512 1.00 0.00 C ATOM 159 CD2 LEU A 35 -11.835 13.094 -5.749 1.00 0.00 C ATOM 0 H LEU A 35 -8.061 11.303 -2.534 1.00 0.00 H new ATOM 0 HA LEU A 35 -8.078 11.492 -5.477 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -10.356 11.478 -3.931 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.971 13.187 -3.953 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.839 12.980 -6.502 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -11.136 11.139 -7.488 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.690 10.550 -6.634 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.294 10.395 -5.879 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.289 13.178 -6.736 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.493 12.524 -5.094 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.684 14.090 -5.333 1.00 0.00 H new ATOM 171 N LYS A 36 -7.625 14.111 -5.246 1.00 0.00 N ATOM 172 CA LYS A 36 -6.886 15.367 -5.171 1.00 0.00 C ATOM 173 C LYS A 36 -5.387 15.138 -5.330 1.00 0.00 C ATOM 174 O LYS A 36 -4.787 15.551 -6.323 1.00 0.00 O ATOM 175 CB LYS A 36 -7.166 16.070 -3.838 1.00 0.00 C ATOM 176 CG LYS A 36 -6.887 17.567 -3.872 1.00 0.00 C ATOM 177 CD LYS A 36 -7.834 18.328 -2.964 1.00 0.00 C ATOM 178 CE LYS A 36 -9.272 18.251 -3.459 1.00 0.00 C ATOM 179 NZ LYS A 36 -10.020 19.505 -3.178 1.00 0.00 N ATOM 0 H LYS A 36 -8.218 14.023 -6.071 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.224 16.001 -5.991 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.208 15.909 -3.563 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.556 15.612 -3.059 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.858 17.754 -3.565 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.987 17.934 -4.894 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.775 17.922 -1.954 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.524 19.371 -2.907 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.277 18.057 -4.532 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.777 17.412 -2.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.995 19.414 -3.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.037 19.677 -2.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.553 20.302 -3.655 1.00 0.00 H new ATOM 193 N GLY A 37 -4.779 14.481 -4.347 1.00 0.00 N ATOM 194 CA GLY A 37 -3.364 14.213 -4.392 1.00 0.00 C ATOM 195 C GLY A 37 -2.552 15.172 -3.537 1.00 0.00 C ATOM 196 O GLY A 37 -2.455 14.989 -2.324 1.00 0.00 O ATOM 0 H GLY A 37 -5.252 14.129 -3.515 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.182 13.192 -4.056 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.020 14.275 -5.425 1.00 0.00 H new ATOM 200 N GLU A 38 -1.985 16.198 -4.168 1.00 0.00 N ATOM 201 CA GLU A 38 -1.189 17.185 -3.454 1.00 0.00 C ATOM 202 C GLU A 38 -0.028 16.528 -2.719 1.00 0.00 C ATOM 203 O GLU A 38 0.102 15.307 -2.714 1.00 0.00 O ATOM 204 CB GLU A 38 -2.069 17.957 -2.462 1.00 0.00 C ATOM 205 CG GLU A 38 -1.730 19.437 -2.378 1.00 0.00 C ATOM 206 CD GLU A 38 -1.311 19.856 -0.983 1.00 0.00 C ATOM 207 OE1 GLU A 38 -0.401 19.223 -0.419 1.00 0.00 O ATOM 208 OE2 GLU A 38 -1.901 20.827 -0.453 1.00 0.00 O ATOM 0 H GLU A 38 -2.064 16.365 -5.171 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.778 17.880 -4.186 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.114 17.847 -2.753 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.965 17.511 -1.473 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.926 19.663 -3.079 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.596 20.023 -2.686 1.00 0.00 H new ATOM 215 N LEU A 39 0.806 17.342 -2.088 1.00 0.00 N ATOM 216 CA LEU A 39 1.966 16.839 -1.348 1.00 0.00 C ATOM 217 C LEU A 39 2.884 16.043 -2.257 1.00 0.00 C ATOM 218 O LEU A 39 2.567 14.923 -2.658 1.00 0.00 O ATOM 219 CB LEU A 39 1.503 15.974 -0.183 1.00 0.00 C ATOM 220 CG LEU A 39 2.471 15.903 0.995 1.00 0.00 C ATOM 221 CD1 LEU A 39 2.762 17.296 1.528 1.00 0.00 C ATOM 222 CD2 LEU A 39 1.911 15.012 2.096 1.00 0.00 C ATOM 0 H LEU A 39 0.705 18.357 -2.071 1.00 0.00 H new ATOM 0 HA LEU A 39 2.525 17.692 -0.962 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.547 16.355 0.175 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.326 14.963 -0.549 1.00 0.00 H new ATOM 0 HG LEU A 39 3.407 15.466 0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.454 17.227 2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.208 17.902 0.739 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.833 17.760 1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.615 14.974 2.927 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.961 15.417 2.444 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.755 14.006 1.706 1.00 0.00 H new ATOM 283 N SER A 43 5.432 11.418 -0.268 1.00 0.00 N ATOM 284 CA SER A 43 4.012 11.123 -0.143 1.00 0.00 C ATOM 285 C SER A 43 3.757 10.129 0.987 1.00 0.00 C ATOM 286 O SER A 43 4.513 9.172 1.163 1.00 0.00 O ATOM 287 CB SER A 43 3.469 10.564 -1.458 1.00 0.00 C ATOM 288 OG SER A 43 3.082 11.608 -2.335 1.00 0.00 O ATOM 0 HA SER A 43 3.494 12.053 0.092 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.230 9.947 -1.936 1.00 0.00 H new ATOM 0 HB3 SER A 43 2.614 9.918 -1.257 1.00 0.00 H new ATOM 0 HG SER A 43 2.740 11.224 -3.169 1.00 0.00 H new ATOM 294 N LYS A 44 2.702 10.365 1.752 1.00 0.00 N ATOM 295 CA LYS A 44 2.354 9.491 2.867 1.00 0.00 C ATOM 296 C LYS A 44 1.483 8.324 2.401 1.00 0.00 C ATOM 297 O LYS A 44 1.515 7.243 2.988 1.00 0.00 O ATOM 298 CB LYS A 44 1.623 10.278 3.954 1.00 0.00 C ATOM 299 CG LYS A 44 2.473 11.364 4.584 1.00 0.00 C ATOM 300 CD LYS A 44 3.204 10.860 5.821 1.00 0.00 C ATOM 301 CE LYS A 44 2.560 11.381 7.099 1.00 0.00 C ATOM 302 NZ LYS A 44 3.068 10.667 8.304 1.00 0.00 N ATOM 0 H LYS A 44 2.070 11.155 1.623 1.00 0.00 H new ATOM 0 HA LYS A 44 3.281 9.089 3.277 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.728 10.730 3.526 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.292 9.589 4.731 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.198 11.727 3.856 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.841 12.210 4.854 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.201 9.770 5.828 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.247 11.175 5.783 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.759 12.448 7.198 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.478 11.263 7.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.607 11.049 9.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.856 9.652 8.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 4.097 10.801 8.379 1.00 0.00 H new ATOM 316 N ASN A 45 0.710 8.551 1.344 1.00 0.00 N ATOM 317 CA ASN A 45 -0.169 7.518 0.800 1.00 0.00 C ATOM 318 C ASN A 45 0.630 6.276 0.415 1.00 0.00 C ATOM 319 O ASN A 45 0.408 5.191 0.956 1.00 0.00 O ATOM 320 CB ASN A 45 -0.919 8.054 -0.417 1.00 0.00 C ATOM 321 CG ASN A 45 -1.557 9.396 -0.156 1.00 0.00 C ATOM 322 OD1 ASN A 45 -2.627 9.490 0.447 1.00 0.00 O ATOM 323 ND2 ASN A 45 -0.903 10.466 -0.610 1.00 0.00 N ATOM 0 H ASN A 45 0.673 9.440 0.846 1.00 0.00 H new ATOM 0 HA ASN A 45 -0.889 7.241 1.570 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.229 8.140 -1.256 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.689 7.340 -0.709 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.287 11.399 -0.462 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.019 10.351 -1.105 1.00 0.00 H new ATOM 330 N MET A 46 1.560 6.439 -0.522 1.00 0.00 N ATOM 331 CA MET A 46 2.385 5.327 -0.979 1.00 0.00 C ATOM 332 C MET A 46 3.124 4.686 0.188 1.00 0.00 C ATOM 333 O MET A 46 3.299 3.468 0.235 1.00 0.00 O ATOM 334 CB MET A 46 3.381 5.805 -2.035 1.00 0.00 C ATOM 335 CG MET A 46 4.244 6.967 -1.573 1.00 0.00 C ATOM 336 SD MET A 46 5.835 6.431 -0.912 1.00 0.00 S ATOM 337 CE MET A 46 6.804 6.317 -2.404 1.00 0.00 C ATOM 0 H MET A 46 1.760 7.329 -0.978 1.00 0.00 H new ATOM 0 HA MET A 46 1.731 4.577 -1.424 1.00 0.00 H new ATOM 0 HB2 MET A 46 4.026 4.973 -2.317 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.835 6.102 -2.930 1.00 0.00 H new ATOM 0 HG2 MET A 46 4.412 7.645 -2.410 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.709 7.531 -0.809 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.816 5.996 -2.157 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.348 5.593 -3.080 1.00 0.00 H new ATOM 0 HE3 MET A 46 6.841 7.292 -2.889 1.00 0.00 H new ATOM 347 N LYS A 47 3.561 5.518 1.132 1.00 0.00 N ATOM 348 CA LYS A 47 4.277 5.032 2.302 1.00 0.00 C ATOM 349 C LYS A 47 3.344 4.265 3.235 1.00 0.00 C ATOM 350 O LYS A 47 3.784 3.408 4.003 1.00 0.00 O ATOM 351 CB LYS A 47 4.920 6.200 3.053 1.00 0.00 C ATOM 352 CG LYS A 47 5.831 5.765 4.195 1.00 0.00 C ATOM 353 CD LYS A 47 7.052 6.658 4.308 1.00 0.00 C ATOM 354 CE LYS A 47 8.309 5.851 4.591 1.00 0.00 C ATOM 355 NZ LYS A 47 9.474 6.724 4.904 1.00 0.00 N ATOM 0 H LYS A 47 3.430 6.529 1.106 1.00 0.00 H new ATOM 0 HA LYS A 47 5.058 4.352 1.961 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.496 6.801 2.349 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.134 6.842 3.451 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.276 5.787 5.133 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.147 4.734 4.036 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.180 7.220 3.383 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.899 7.386 5.105 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.126 5.177 5.428 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.543 5.230 3.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.310 6.134 5.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.666 7.350 4.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.261 7.299 5.744 1.00 0.00 H new ATOM 369 N ASN A 48 2.055 4.581 3.163 1.00 0.00 N ATOM 370 CA ASN A 48 1.062 3.922 4.002 1.00 0.00 C ATOM 371 C ASN A 48 0.817 2.487 3.539 1.00 0.00 C ATOM 372 O ASN A 48 0.573 1.599 4.354 1.00 0.00 O ATOM 373 CB ASN A 48 -0.252 4.706 3.985 1.00 0.00 C ATOM 374 CG ASN A 48 -0.358 5.688 5.133 1.00 0.00 C ATOM 375 OD1 ASN A 48 -0.121 5.207 6.349 1.00 0.00 O flip ATOM 376 ND2 ASN A 48 -0.639 6.870 4.932 1.00 0.00 N flip ATOM 0 H ASN A 48 1.675 5.288 2.534 1.00 0.00 H new ATOM 0 HA ASN A 48 1.449 3.893 5.021 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.337 5.245 3.041 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.088 4.008 4.030 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -0.814 7.198 3.982 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -0.697 7.521 5.715 1.00 0.00 H new ATOM 383 N VAL A 49 0.892 2.269 2.230 1.00 0.00 N ATOM 384 CA VAL A 49 0.678 0.938 1.675 1.00 0.00 C ATOM 385 C VAL A 49 1.912 0.066 1.829 1.00 0.00 C ATOM 386 O VAL A 49 1.827 -1.089 2.234 1.00 0.00 O ATOM 387 CB VAL A 49 0.289 0.982 0.186 1.00 0.00 C ATOM 388 CG1 VAL A 49 -0.196 -0.387 -0.274 1.00 0.00 C ATOM 389 CG2 VAL A 49 -0.774 2.044 -0.066 1.00 0.00 C ATOM 0 H VAL A 49 1.098 2.991 1.539 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.148 0.509 2.242 1.00 0.00 H new ATOM 0 HB VAL A 49 1.173 1.249 -0.393 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.468 -0.341 -1.329 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.599 -1.120 -0.135 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.067 -0.681 0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.032 2.056 -1.125 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.663 1.816 0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.388 3.021 0.224 1.00 0.00 H new ATOM 399 N ILE A 50 3.080 0.630 1.510 1.00 0.00 N ATOM 400 CA ILE A 50 4.330 -0.104 1.622 1.00 0.00 C ATOM 401 C ILE A 50 4.535 -0.613 3.045 1.00 0.00 C ATOM 402 O ILE A 50 5.045 -1.713 3.256 1.00 0.00 O ATOM 403 CB ILE A 50 5.537 0.772 1.216 1.00 0.00 C ATOM 404 CG1 ILE A 50 6.816 -0.056 1.226 1.00 0.00 C ATOM 405 CG2 ILE A 50 5.653 1.966 2.143 1.00 0.00 C ATOM 406 CD1 ILE A 50 6.967 -0.965 0.027 1.00 0.00 C ATOM 0 H ILE A 50 3.180 1.588 1.174 1.00 0.00 H new ATOM 0 HA ILE A 50 4.266 -0.952 0.940 1.00 0.00 H new ATOM 0 HB ILE A 50 5.382 1.143 0.203 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.672 0.617 1.270 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.839 -0.660 2.133 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.507 2.575 1.847 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.743 2.563 2.083 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.793 1.619 3.167 1.00 0.00 H new ATOM 0 HD11 ILE A 50 7.901 -1.521 0.107 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.131 -1.664 -0.007 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.978 -0.367 -0.884 1.00 0.00 H new ATOM 418 N ASN A 51 4.122 0.193 4.018 1.00 0.00 N ATOM 419 CA ASN A 51 4.248 -0.177 5.422 1.00 0.00 C ATOM 420 C ASN A 51 3.216 -1.234 5.798 1.00 0.00 C ATOM 421 O ASN A 51 3.563 -2.318 6.270 1.00 0.00 O ATOM 422 CB ASN A 51 4.079 1.054 6.313 1.00 0.00 C ATOM 423 CG ASN A 51 4.681 0.857 7.688 1.00 0.00 C ATOM 424 OD1 ASN A 51 4.690 -0.248 8.227 1.00 0.00 O ATOM 425 ND2 ASN A 51 5.198 1.938 8.269 1.00 0.00 N ATOM 0 H ASN A 51 3.697 1.107 3.859 1.00 0.00 H new ATOM 0 HA ASN A 51 5.244 -0.593 5.575 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.548 1.913 5.834 1.00 0.00 H new ATOM 0 HB3 ASN A 51 3.018 1.284 6.413 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.621 1.867 9.194 1.00 0.00 H new ATOM 0 HD22 ASN A 51 5.171 2.837 7.789 1.00 0.00 H new ATOM 432 N ASN A 52 1.936 -0.917 5.579 1.00 0.00 N ATOM 433 CA ASN A 52 0.859 -1.839 5.892 1.00 0.00 C ATOM 434 C ASN A 52 1.012 -3.137 5.107 1.00 0.00 C ATOM 435 O ASN A 52 0.879 -4.228 5.660 1.00 0.00 O ATOM 436 CB ASN A 52 -0.498 -1.197 5.582 1.00 0.00 C ATOM 437 CG ASN A 52 -0.885 -0.145 6.603 1.00 0.00 C ATOM 438 OD1 ASN A 52 -0.041 0.364 7.337 1.00 0.00 O ATOM 439 ND2 ASN A 52 -2.171 0.183 6.655 1.00 0.00 N ATOM 0 H ASN A 52 1.629 -0.027 5.186 1.00 0.00 H new ATOM 0 HA ASN A 52 0.908 -2.070 6.956 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.465 -0.743 4.591 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -1.265 -1.971 5.553 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.492 0.883 7.324 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.837 -0.265 6.026 1.00 0.00 H new ATOM 446 N ALA A 53 1.300 -3.010 3.816 1.00 0.00 N ATOM 447 CA ALA A 53 1.478 -4.171 2.953 1.00 0.00 C ATOM 448 C ALA A 53 2.619 -5.051 3.456 1.00 0.00 C ATOM 449 O ALA A 53 2.611 -6.265 3.254 1.00 0.00 O ATOM 450 CB ALA A 53 1.738 -3.730 1.520 1.00 0.00 C ATOM 0 H ALA A 53 1.415 -2.113 3.344 1.00 0.00 H new ATOM 0 HA ALA A 53 0.560 -4.759 2.976 1.00 0.00 H new ATOM 0 HB1 ALA A 53 1.869 -4.608 0.887 1.00 0.00 H new ATOM 0 HB2 ALA A 53 0.891 -3.146 1.160 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.641 -3.120 1.485 1.00 0.00 H new ATOM 456 N LYS A 54 3.587 -4.433 4.115 1.00 0.00 N ATOM 457 CA LYS A 54 4.734 -5.164 4.652 1.00 0.00 C ATOM 458 C LYS A 54 4.301 -6.064 5.802 1.00 0.00 C ATOM 459 O LYS A 54 4.674 -7.236 5.865 1.00 0.00 O ATOM 460 CB LYS A 54 5.820 -4.191 5.128 1.00 0.00 C ATOM 461 CG LYS A 54 7.197 -4.501 4.569 1.00 0.00 C ATOM 462 CD LYS A 54 7.756 -5.792 5.145 1.00 0.00 C ATOM 463 CE LYS A 54 9.135 -6.106 4.583 1.00 0.00 C ATOM 464 NZ LYS A 54 10.097 -6.469 5.653 1.00 0.00 N ATOM 0 H LYS A 54 3.605 -3.429 4.293 1.00 0.00 H new ATOM 0 HA LYS A 54 5.145 -5.784 3.855 1.00 0.00 H new ATOM 0 HB2 LYS A 54 5.540 -3.177 4.841 1.00 0.00 H new ATOM 0 HB3 LYS A 54 5.865 -4.213 6.217 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.140 -4.581 3.483 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.875 -3.678 4.793 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.815 -5.711 6.230 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.076 -6.614 4.923 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.058 -6.926 3.870 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.510 -5.241 4.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 11.024 -6.676 5.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.189 -5.677 6.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 9.752 -7.309 6.159 1.00 0.00 H new ATOM 478 N LYS A 55 3.500 -5.510 6.708 1.00 0.00 N ATOM 479 CA LYS A 55 3.014 -6.262 7.856 1.00 0.00 C ATOM 480 C LYS A 55 2.141 -7.431 7.401 1.00 0.00 C ATOM 481 O LYS A 55 2.171 -8.509 7.994 1.00 0.00 O ATOM 482 CB LYS A 55 2.217 -5.349 8.792 1.00 0.00 C ATOM 483 CG LYS A 55 2.845 -5.196 10.166 1.00 0.00 C ATOM 484 CD LYS A 55 2.156 -4.114 10.981 1.00 0.00 C ATOM 485 CE LYS A 55 2.352 -4.328 12.474 1.00 0.00 C ATOM 486 NZ LYS A 55 1.207 -5.062 13.082 1.00 0.00 N ATOM 0 H LYS A 55 3.175 -4.544 6.668 1.00 0.00 H new ATOM 0 HA LYS A 55 3.875 -6.657 8.395 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.122 -4.365 8.333 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.209 -5.748 8.904 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.789 -6.145 10.700 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.902 -4.953 10.058 1.00 0.00 H new ATOM 0 HD2 LYS A 55 2.550 -3.138 10.698 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.091 -4.107 10.751 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.273 -4.886 12.644 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.469 -3.363 12.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.377 -5.189 14.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.332 -4.517 12.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 1.111 -5.993 12.629 1.00 0.00 H new ATOM 500 N ASN A 56 1.371 -7.209 6.342 1.00 0.00 N ATOM 501 CA ASN A 56 0.492 -8.243 5.803 1.00 0.00 C ATOM 502 C ASN A 56 1.305 -9.410 5.250 1.00 0.00 C ATOM 503 O ASN A 56 1.125 -10.556 5.666 1.00 0.00 O ATOM 504 CB ASN A 56 -0.403 -7.663 4.704 1.00 0.00 C ATOM 505 CG ASN A 56 -1.546 -6.843 5.264 1.00 0.00 C ATOM 506 OD1 ASN A 56 -1.506 -5.535 5.036 1.00 0.00 O flip ATOM 507 ND2 ASN A 56 -2.458 -7.379 5.893 1.00 0.00 N flip ATOM 0 H ASN A 56 1.337 -6.322 5.839 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.136 -8.611 6.614 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.197 -7.040 4.041 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.805 -8.476 4.099 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -2.449 -8.388 6.045 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -3.223 -6.815 6.262 1.00 0.00 H new ATOM 514 N LEU A 57 2.199 -9.112 4.313 1.00 0.00 N ATOM 515 CA LEU A 57 3.041 -10.138 3.704 1.00 0.00 C ATOM 516 C LEU A 57 3.731 -10.978 4.776 1.00 0.00 C ATOM 517 O LEU A 57 3.573 -12.199 4.828 1.00 0.00 O ATOM 518 CB LEU A 57 4.087 -9.492 2.800 1.00 0.00 C ATOM 519 CG LEU A 57 3.586 -9.065 1.420 1.00 0.00 C ATOM 520 CD1 LEU A 57 4.267 -7.779 0.977 1.00 0.00 C ATOM 521 CD2 LEU A 57 3.818 -10.173 0.403 1.00 0.00 C ATOM 0 H LEU A 57 2.360 -8.169 3.958 1.00 0.00 H new ATOM 0 HA LEU A 57 2.405 -10.791 3.106 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.491 -8.617 3.308 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.911 -10.193 2.668 1.00 0.00 H new ATOM 0 HG LEU A 57 2.514 -8.878 1.486 1.00 0.00 H new ATOM 0 HD11 LEU A 57 3.897 -7.492 -0.007 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.048 -6.986 1.692 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.344 -7.936 0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.456 -9.852 -0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 57 4.884 -10.392 0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.281 -11.069 0.713 1.00 0.00 H new ATOM 533 N GLU A 58 4.493 -10.312 5.631 1.00 0.00 N ATOM 534 CA GLU A 58 5.211 -10.986 6.705 1.00 0.00 C ATOM 535 C GLU A 58 4.237 -11.691 7.648 1.00 0.00 C ATOM 536 O GLU A 58 4.583 -12.693 8.273 1.00 0.00 O ATOM 537 CB GLU A 58 6.066 -9.989 7.485 1.00 0.00 C ATOM 538 CG GLU A 58 7.395 -9.673 6.815 1.00 0.00 C ATOM 539 CD GLU A 58 8.423 -9.116 7.784 1.00 0.00 C ATOM 540 OE1 GLU A 58 8.026 -8.374 8.706 1.00 0.00 O ATOM 541 OE2 GLU A 58 9.616 -9.427 7.618 1.00 0.00 O ATOM 0 H GLU A 58 4.631 -9.302 5.602 1.00 0.00 H new ATOM 0 HA GLU A 58 5.864 -11.735 6.257 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.504 -9.064 7.614 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.256 -10.388 8.481 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.789 -10.579 6.355 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.231 -8.953 6.013 1.00 0.00 H new ATOM 548 N LYS A 59 3.021 -11.164 7.746 1.00 0.00 N ATOM 549 CA LYS A 59 2.003 -11.754 8.612 1.00 0.00 C ATOM 550 C LYS A 59 1.728 -13.200 8.208 1.00 0.00 C ATOM 551 O LYS A 59 1.495 -14.055 9.059 1.00 0.00 O ATOM 552 CB LYS A 59 0.714 -10.935 8.562 1.00 0.00 C ATOM 553 CG LYS A 59 0.407 -10.202 9.857 1.00 0.00 C ATOM 554 CD LYS A 59 -1.070 -9.860 9.969 1.00 0.00 C ATOM 555 CE LYS A 59 -1.285 -8.431 10.433 1.00 0.00 C ATOM 556 NZ LYS A 59 -1.384 -7.484 9.288 1.00 0.00 N ATOM 0 H LYS A 59 2.716 -10.333 7.239 1.00 0.00 H new ATOM 0 HA LYS A 59 2.379 -11.745 9.635 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.786 -10.209 7.752 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.118 -11.597 8.323 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.703 -10.820 10.705 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.998 -9.287 9.907 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.551 -10.004 9.001 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.550 -10.545 10.668 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.196 -8.376 11.029 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -0.461 -8.132 11.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.531 -6.519 9.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.505 -7.517 8.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.186 -7.754 8.683 1.00 0.00 H new ATOM 570 N TYR A 60 1.777 -13.463 6.906 1.00 0.00 N ATOM 571 CA TYR A 60 1.550 -14.805 6.394 1.00 0.00 C ATOM 572 C TYR A 60 2.795 -15.665 6.564 1.00 0.00 C ATOM 573 O TYR A 60 2.709 -16.854 6.861 1.00 0.00 O ATOM 574 CB TYR A 60 1.153 -14.759 4.917 1.00 0.00 C ATOM 575 CG TYR A 60 0.147 -13.680 4.589 1.00 0.00 C ATOM 576 CD1 TYR A 60 -1.185 -13.809 4.957 1.00 0.00 C ATOM 577 CD2 TYR A 60 0.532 -12.534 3.908 1.00 0.00 C ATOM 578 CE1 TYR A 60 -2.107 -12.824 4.655 1.00 0.00 C ATOM 579 CE2 TYR A 60 -0.382 -11.544 3.602 1.00 0.00 C ATOM 580 CZ TYR A 60 -1.701 -11.694 3.978 1.00 0.00 C ATOM 581 OH TYR A 60 -2.614 -10.711 3.675 1.00 0.00 O ATOM 0 H TYR A 60 1.972 -12.764 6.189 1.00 0.00 H new ATOM 0 HA TYR A 60 0.735 -15.248 6.966 1.00 0.00 H new ATOM 0 HB2 TYR A 60 2.048 -14.604 4.315 1.00 0.00 H new ATOM 0 HB3 TYR A 60 0.740 -15.726 4.631 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.506 -14.693 5.488 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.564 -12.414 3.612 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.140 -12.939 4.948 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.066 -10.658 3.072 1.00 0.00 H new ATOM 0 HH TYR A 60 -2.164 -9.983 3.198 1.00 0.00 H new ATOM 591 N PHE A 61 3.956 -15.049 6.376 1.00 0.00 N ATOM 592 CA PHE A 61 5.232 -15.751 6.512 1.00 0.00 C ATOM 593 C PHE A 61 5.565 -15.989 7.983 1.00 0.00 C ATOM 594 O PHE A 61 6.313 -16.906 8.320 1.00 0.00 O ATOM 595 CB PHE A 61 6.342 -14.957 5.838 1.00 0.00 C ATOM 596 CG PHE A 61 7.283 -15.798 5.020 1.00 0.00 C ATOM 597 CD1 PHE A 61 7.710 -17.035 5.479 1.00 0.00 C ATOM 598 CD2 PHE A 61 7.741 -15.351 3.789 1.00 0.00 C ATOM 599 CE1 PHE A 61 8.574 -17.808 4.727 1.00 0.00 C ATOM 600 CE2 PHE A 61 8.595 -16.125 3.031 1.00 0.00 C ATOM 601 CZ PHE A 61 9.016 -17.353 3.501 1.00 0.00 C ATOM 0 H PHE A 61 4.043 -14.063 6.128 1.00 0.00 H new ATOM 0 HA PHE A 61 5.146 -16.721 6.022 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.894 -14.200 5.194 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.913 -14.429 6.602 1.00 0.00 H new ATOM 0 HD1 PHE A 61 7.363 -17.398 6.435 1.00 0.00 H new ATOM 0 HD2 PHE A 61 7.425 -14.386 3.420 1.00 0.00 H new ATOM 0 HE1 PHE A 61 8.903 -18.767 5.098 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.935 -15.770 2.069 1.00 0.00 H new ATOM 0 HZ PHE A 61 9.690 -17.956 2.911 1.00 0.00 H new ATOM 611 N LYS A 62 5.016 -15.155 8.855 1.00 0.00 N ATOM 612 CA LYS A 62 5.263 -15.278 10.285 1.00 0.00 C ATOM 613 C LYS A 62 4.272 -16.232 10.935 1.00 0.00 C ATOM 614 O LYS A 62 4.603 -16.930 11.894 1.00 0.00 O ATOM 615 CB LYS A 62 5.180 -13.908 10.957 1.00 0.00 C ATOM 616 CG LYS A 62 6.038 -13.791 12.213 1.00 0.00 C ATOM 617 CD LYS A 62 6.018 -12.379 12.768 1.00 0.00 C ATOM 618 CE LYS A 62 6.527 -12.339 14.199 1.00 0.00 C ATOM 619 NZ LYS A 62 8.016 -12.372 14.261 1.00 0.00 N ATOM 0 H LYS A 62 4.397 -14.386 8.598 1.00 0.00 H new ATOM 0 HA LYS A 62 6.266 -15.684 10.417 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.488 -13.144 10.244 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.141 -13.702 11.216 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.674 -14.486 12.970 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.064 -14.078 11.983 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.633 -11.732 12.143 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.002 -11.986 12.730 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.163 -11.436 14.688 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.122 -13.186 14.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.323 -12.343 15.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.363 -13.246 13.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 8.403 -11.550 13.755 1.00 0.00 H new ATOM 633 N GLU A 63 3.047 -16.250 10.414 1.00 0.00 N ATOM 634 CA GLU A 63 2.001 -17.109 10.955 1.00 0.00 C ATOM 635 C GLU A 63 1.856 -18.403 10.156 1.00 0.00 C ATOM 636 O GLU A 63 1.862 -19.494 10.725 1.00 0.00 O ATOM 637 CB GLU A 63 0.667 -16.359 10.981 1.00 0.00 C ATOM 638 CG GLU A 63 -0.072 -16.480 12.304 1.00 0.00 C ATOM 639 CD GLU A 63 -0.564 -15.143 12.821 1.00 0.00 C ATOM 640 OE1 GLU A 63 -0.930 -14.283 11.991 1.00 0.00 O ATOM 641 OE2 GLU A 63 -0.585 -14.955 14.056 1.00 0.00 O ATOM 0 H GLU A 63 2.757 -15.680 9.619 1.00 0.00 H new ATOM 0 HA GLU A 63 2.289 -17.378 11.971 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.848 -15.305 10.770 1.00 0.00 H new ATOM 0 HB3 GLU A 63 0.030 -16.739 10.182 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -0.921 -17.153 12.182 1.00 0.00 H new ATOM 0 HG3 GLU A 63 0.588 -16.931 13.045 1.00 0.00 H new ATOM 648 N HIS A 64 1.706 -18.278 8.840 1.00 0.00 N ATOM 649 CA HIS A 64 1.538 -19.448 7.980 1.00 0.00 C ATOM 650 C HIS A 64 2.790 -19.745 7.160 1.00 0.00 C ATOM 651 O HIS A 64 2.765 -20.586 6.261 1.00 0.00 O ATOM 652 CB HIS A 64 0.339 -19.256 7.050 1.00 0.00 C ATOM 653 CG HIS A 64 -0.979 -19.272 7.760 1.00 0.00 C ATOM 654 ND1 HIS A 64 -2.134 -18.750 7.216 1.00 0.00 N ATOM 655 CD2 HIS A 64 -1.323 -19.753 8.978 1.00 0.00 C ATOM 656 CE1 HIS A 64 -3.131 -18.908 8.069 1.00 0.00 C ATOM 657 NE2 HIS A 64 -2.666 -19.515 9.145 1.00 0.00 N ATOM 0 H HIS A 64 1.697 -17.385 8.347 1.00 0.00 H new ATOM 0 HA HIS A 64 1.361 -20.304 8.632 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.447 -18.308 6.523 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.345 -20.043 6.296 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -0.665 -20.234 9.686 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.152 -18.594 7.912 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -3.215 -19.767 9.967 1.00 0.00 H new ATOM 666 N PHE A 65 3.879 -19.059 7.474 1.00 0.00 N ATOM 667 CA PHE A 65 5.135 -19.260 6.763 1.00 0.00 C ATOM 668 C PHE A 65 4.941 -19.219 5.250 1.00 0.00 C ATOM 669 O PHE A 65 3.844 -18.948 4.765 1.00 0.00 O ATOM 670 CB PHE A 65 5.768 -20.590 7.176 1.00 0.00 C ATOM 671 CG PHE A 65 7.260 -20.511 7.367 1.00 0.00 C ATOM 672 CD1 PHE A 65 7.801 -19.758 8.398 1.00 0.00 C ATOM 673 CD2 PHE A 65 8.115 -21.191 6.516 1.00 0.00 C ATOM 674 CE1 PHE A 65 9.165 -19.687 8.575 1.00 0.00 C ATOM 675 CE2 PHE A 65 9.481 -21.122 6.689 1.00 0.00 C ATOM 676 CZ PHE A 65 10.011 -20.368 7.721 1.00 0.00 C ATOM 0 H PHE A 65 3.919 -18.359 8.215 1.00 0.00 H new ATOM 0 HA PHE A 65 5.803 -18.442 7.034 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.308 -20.930 8.104 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.546 -21.340 6.417 1.00 0.00 H new ATOM 0 HD1 PHE A 65 7.146 -19.222 9.069 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.708 -21.781 5.709 1.00 0.00 H new ATOM 0 HE1 PHE A 65 9.574 -19.098 9.383 1.00 0.00 H new ATOM 0 HE2 PHE A 65 10.138 -21.657 6.019 1.00 0.00 H new ATOM 0 HZ PHE A 65 11.081 -20.312 7.858 1.00 0.00 H new ATOM 686 N LYS A 66 6.009 -19.496 4.510 1.00 0.00 N ATOM 687 CA LYS A 66 5.953 -19.494 3.052 1.00 0.00 C ATOM 688 C LYS A 66 5.480 -18.144 2.524 1.00 0.00 C ATOM 689 O LYS A 66 4.979 -17.310 3.279 1.00 0.00 O ATOM 690 CB LYS A 66 5.032 -20.605 2.556 1.00 0.00 C ATOM 691 CG LYS A 66 5.726 -21.950 2.405 1.00 0.00 C ATOM 692 CD LYS A 66 5.415 -22.593 1.063 1.00 0.00 C ATOM 693 CE LYS A 66 6.460 -22.236 0.020 1.00 0.00 C ATOM 694 NZ LYS A 66 6.110 -22.773 -1.324 1.00 0.00 N ATOM 0 H LYS A 66 6.925 -19.725 4.896 1.00 0.00 H new ATOM 0 HA LYS A 66 6.960 -19.673 2.675 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.199 -20.712 3.250 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.610 -20.313 1.594 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.803 -21.817 2.505 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.411 -22.615 3.209 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.370 -23.676 1.179 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.432 -22.268 0.721 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.560 -21.152 -0.037 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.429 -22.630 0.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.848 -22.508 -2.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.039 -23.809 -1.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.198 -22.378 -1.629 1.00 0.00 H new ATOM 708 N GLU A 67 5.627 -17.940 1.218 1.00 0.00 N ATOM 709 CA GLU A 67 5.210 -16.694 0.587 1.00 0.00 C ATOM 710 C GLU A 67 3.819 -16.823 -0.004 1.00 0.00 C ATOM 711 O GLU A 67 3.610 -17.556 -0.971 1.00 0.00 O ATOM 712 CB GLU A 67 6.213 -16.290 -0.504 1.00 0.00 C ATOM 713 CG GLU A 67 7.277 -15.317 -0.028 1.00 0.00 C ATOM 714 CD GLU A 67 8.652 -15.669 -0.547 1.00 0.00 C ATOM 715 OE1 GLU A 67 8.920 -16.868 -0.769 1.00 0.00 O ATOM 716 OE2 GLU A 67 9.476 -14.738 -0.729 1.00 0.00 O ATOM 0 H GLU A 67 6.032 -18.622 0.577 1.00 0.00 H new ATOM 0 HA GLU A 67 5.185 -15.918 1.352 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.699 -17.187 -0.887 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.670 -15.842 -1.336 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.016 -14.310 -0.352 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.295 -15.306 1.062 1.00 0.00 H new ATOM 723 N PHE A 68 2.864 -16.110 0.583 1.00 0.00 N ATOM 724 CA PHE A 68 1.484 -16.148 0.112 1.00 0.00 C ATOM 725 C PHE A 68 0.811 -14.792 0.287 1.00 0.00 C ATOM 726 O PHE A 68 1.178 -14.015 1.169 1.00 0.00 O ATOM 727 CB PHE A 68 0.697 -17.222 0.864 1.00 0.00 C ATOM 728 CG PHE A 68 0.776 -18.581 0.230 1.00 0.00 C ATOM 729 CD1 PHE A 68 1.852 -19.418 0.484 1.00 0.00 C ATOM 730 CD2 PHE A 68 -0.226 -19.022 -0.621 1.00 0.00 C ATOM 731 CE1 PHE A 68 1.926 -20.669 -0.098 1.00 0.00 C ATOM 732 CE2 PHE A 68 -0.155 -20.272 -1.206 1.00 0.00 C ATOM 733 CZ PHE A 68 0.922 -21.097 -0.944 1.00 0.00 C ATOM 0 H PHE A 68 3.020 -15.499 1.385 1.00 0.00 H new ATOM 0 HA PHE A 68 1.496 -16.392 -0.950 1.00 0.00 H new ATOM 0 HB2 PHE A 68 1.070 -17.285 1.886 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -0.348 -16.919 0.925 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.641 -19.088 1.144 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.071 -18.382 -0.829 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.769 -21.312 0.109 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.941 -20.604 -1.868 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.978 -22.074 -1.400 1.00 0.00 H new ATOM 743 N ASP A 69 -0.176 -14.515 -0.558 1.00 0.00 N ATOM 744 CA ASP A 69 -0.905 -13.253 -0.498 1.00 0.00 C ATOM 745 C ASP A 69 0.017 -12.073 -0.790 1.00 0.00 C ATOM 746 O ASP A 69 0.821 -11.677 0.054 1.00 0.00 O ATOM 747 CB ASP A 69 -1.554 -13.076 0.876 1.00 0.00 C ATOM 748 CG ASP A 69 -2.485 -14.220 1.229 1.00 0.00 C ATOM 749 OD1 ASP A 69 -2.201 -15.365 0.818 1.00 0.00 O ATOM 750 OD2 ASP A 69 -3.498 -13.971 1.915 1.00 0.00 O ATOM 0 H ASP A 69 -0.490 -15.148 -1.293 1.00 0.00 H new ATOM 0 HA ASP A 69 -1.684 -13.280 -1.260 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.775 -12.998 1.635 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.111 -12.139 0.893 1.00 0.00 H new ATOM 755 N LYS A 70 -0.110 -11.512 -1.988 1.00 0.00 N ATOM 756 CA LYS A 70 0.707 -10.373 -2.391 1.00 0.00 C ATOM 757 C LYS A 70 -0.165 -9.144 -2.626 1.00 0.00 C ATOM 758 O LYS A 70 -1.385 -9.257 -2.772 1.00 0.00 O ATOM 759 CB LYS A 70 1.497 -10.705 -3.659 1.00 0.00 C ATOM 760 CG LYS A 70 2.918 -10.169 -3.649 1.00 0.00 C ATOM 761 CD LYS A 70 3.841 -11.060 -2.836 1.00 0.00 C ATOM 762 CE LYS A 70 4.313 -12.257 -3.648 1.00 0.00 C ATOM 763 NZ LYS A 70 5.435 -12.971 -2.976 1.00 0.00 N ATOM 0 H LYS A 70 -0.771 -11.828 -2.697 1.00 0.00 H new ATOM 0 HA LYS A 70 1.409 -10.154 -1.586 1.00 0.00 H new ATOM 0 HB2 LYS A 70 1.527 -11.787 -3.785 1.00 0.00 H new ATOM 0 HB3 LYS A 70 0.970 -10.298 -4.522 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.288 -10.096 -4.672 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.925 -9.161 -3.235 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.703 -10.484 -2.500 1.00 0.00 H new ATOM 0 HD3 LYS A 70 3.321 -11.406 -1.943 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.481 -12.946 -3.798 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.633 -11.924 -4.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.730 -13.780 -3.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.238 -12.321 -2.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.122 -13.311 -2.044 1.00 0.00 H new ATOM 777 N ILE A 71 0.460 -7.971 -2.661 1.00 0.00 N ATOM 778 CA ILE A 71 -0.275 -6.732 -2.880 1.00 0.00 C ATOM 779 C ILE A 71 0.564 -5.689 -3.607 1.00 0.00 C ATOM 780 O ILE A 71 1.421 -5.040 -3.008 1.00 0.00 O ATOM 781 CB ILE A 71 -0.780 -6.130 -1.550 1.00 0.00 C ATOM 782 CG1 ILE A 71 -1.633 -4.889 -1.816 1.00 0.00 C ATOM 783 CG2 ILE A 71 0.383 -5.787 -0.643 1.00 0.00 C ATOM 784 CD1 ILE A 71 -2.406 -4.415 -0.604 1.00 0.00 C ATOM 0 H ILE A 71 1.466 -7.853 -2.541 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.128 -6.995 -3.506 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.398 -6.875 -1.049 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.988 -4.082 -2.163 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -2.334 -5.106 -2.622 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.006 -5.364 0.288 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.954 -6.690 -0.427 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.027 -5.060 -1.137 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.988 -3.532 -0.866 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -3.077 -5.206 -0.269 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.710 -4.166 0.197 1.00 0.00 H new ATOM 796 N SER A 72 0.302 -5.515 -4.895 1.00 0.00 N ATOM 797 CA SER A 72 1.007 -4.534 -5.685 1.00 0.00 C ATOM 798 C SER A 72 0.223 -3.228 -5.708 1.00 0.00 C ATOM 799 O SER A 72 -0.901 -3.179 -6.189 1.00 0.00 O ATOM 800 CB SER A 72 1.223 -5.040 -7.117 1.00 0.00 C ATOM 801 OG SER A 72 2.030 -6.204 -7.129 1.00 0.00 O ATOM 0 H SER A 72 -0.399 -6.047 -5.411 1.00 0.00 H new ATOM 0 HA SER A 72 1.983 -4.362 -5.231 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.260 -5.257 -7.579 1.00 0.00 H new ATOM 0 HB3 SER A 72 1.695 -4.260 -7.715 1.00 0.00 H new ATOM 0 HG SER A 72 2.152 -6.508 -8.053 1.00 0.00 H new ATOM 807 N TYR A 73 0.815 -2.177 -5.155 1.00 0.00 N ATOM 808 CA TYR A 73 0.152 -0.881 -5.101 1.00 0.00 C ATOM 809 C TYR A 73 0.815 0.124 -6.030 1.00 0.00 C ATOM 810 O TYR A 73 2.020 0.074 -6.264 1.00 0.00 O ATOM 811 CB TYR A 73 0.159 -0.354 -3.663 1.00 0.00 C ATOM 812 CG TYR A 73 1.489 0.195 -3.202 1.00 0.00 C ATOM 813 CD1 TYR A 73 2.469 -0.647 -2.699 1.00 0.00 C ATOM 814 CD2 TYR A 73 1.758 1.555 -3.271 1.00 0.00 C ATOM 815 CE1 TYR A 73 3.693 -0.143 -2.275 1.00 0.00 C ATOM 816 CE2 TYR A 73 2.970 2.064 -2.852 1.00 0.00 C ATOM 817 CZ TYR A 73 3.933 1.211 -2.355 1.00 0.00 C ATOM 818 OH TYR A 73 5.147 1.714 -1.937 1.00 0.00 O ATOM 0 H TYR A 73 1.747 -2.196 -4.740 1.00 0.00 H new ATOM 0 HA TYR A 73 -0.877 -1.013 -5.435 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -0.594 0.429 -3.573 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -0.139 -1.160 -2.993 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.279 -1.708 -2.636 1.00 0.00 H new ATOM 0 HD2 TYR A 73 1.006 2.226 -3.659 1.00 0.00 H new ATOM 0 HE1 TYR A 73 4.450 -0.808 -1.886 1.00 0.00 H new ATOM 0 HE2 TYR A 73 3.164 3.125 -2.913 1.00 0.00 H new ATOM 0 HH TYR A 73 5.158 2.686 -2.060 1.00 0.00 H new ATOM 828 N ASP A 74 0.004 1.030 -6.572 1.00 0.00 N ATOM 829 CA ASP A 74 0.504 2.047 -7.491 1.00 0.00 C ATOM 830 C ASP A 74 -0.514 3.160 -7.692 1.00 0.00 C ATOM 831 O ASP A 74 -1.669 3.039 -7.294 1.00 0.00 O ATOM 832 CB ASP A 74 0.865 1.414 -8.832 1.00 0.00 C ATOM 833 CG ASP A 74 1.975 2.152 -9.545 1.00 0.00 C ATOM 834 OD1 ASP A 74 3.028 2.386 -8.916 1.00 0.00 O ATOM 835 OD2 ASP A 74 1.801 2.498 -10.731 1.00 0.00 O ATOM 0 H ASP A 74 -0.999 1.080 -6.391 1.00 0.00 H new ATOM 0 HA ASP A 74 1.399 2.486 -7.051 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.167 0.379 -8.671 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -0.019 1.393 -9.469 1.00 0.00 H new ATOM 840 N ILE A 75 -0.083 4.244 -8.324 1.00 0.00 N ATOM 841 CA ILE A 75 -0.953 5.382 -8.591 1.00 0.00 C ATOM 842 C ILE A 75 -1.176 5.558 -10.089 1.00 0.00 C ATOM 843 O ILE A 75 -0.233 5.442 -10.883 1.00 0.00 O ATOM 844 CB ILE A 75 -0.377 6.687 -8.010 1.00 0.00 C ATOM 845 CG1 ILE A 75 0.973 7.011 -8.644 1.00 0.00 C ATOM 846 CG2 ILE A 75 -0.242 6.574 -6.495 1.00 0.00 C ATOM 847 CD1 ILE A 75 0.895 8.078 -9.720 1.00 0.00 C ATOM 0 H ILE A 75 0.872 4.359 -8.664 1.00 0.00 H new ATOM 0 HA ILE A 75 -1.905 5.172 -8.104 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.065 7.501 -8.240 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.661 7.340 -7.866 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.391 6.101 -9.075 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.166 7.503 -6.096 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.222 6.390 -6.055 1.00 0.00 H new ATOM 0 HG23 ILE A 75 0.427 5.749 -6.250 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.890 8.258 -10.127 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.232 7.743 -10.518 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.507 9.001 -9.290 1.00 0.00 H new ATOM 859 N SER A 76 -2.416 5.842 -10.476 1.00 0.00 N ATOM 860 CA SER A 76 -2.752 6.032 -11.885 1.00 0.00 C ATOM 861 C SER A 76 -3.585 7.293 -12.076 1.00 0.00 C ATOM 862 O SER A 76 -3.737 8.102 -11.169 1.00 0.00 O ATOM 863 CB SER A 76 -3.500 4.816 -12.415 1.00 0.00 C ATOM 864 OG SER A 76 -3.454 4.766 -13.829 1.00 0.00 O ATOM 0 H SER A 76 -3.204 5.946 -9.836 1.00 0.00 H new ATOM 0 HA SER A 76 -1.826 6.148 -12.448 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.063 3.907 -12.001 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.538 4.850 -12.083 1.00 0.00 H new ATOM 0 HG SER A 76 -3.940 3.975 -14.144 1.00 0.00 H new ATOM 870 N THR A 77 -4.127 7.449 -13.285 1.00 0.00 N ATOM 871 CA THR A 77 -4.952 8.597 -13.616 1.00 0.00 C ATOM 872 C THR A 77 -4.153 9.889 -13.527 1.00 0.00 C ATOM 873 O THR A 77 -3.463 10.140 -12.538 1.00 0.00 O ATOM 874 CB THR A 77 -6.169 8.681 -12.692 1.00 0.00 C ATOM 875 OG1 THR A 77 -5.838 9.331 -11.475 1.00 0.00 O ATOM 876 CG2 THR A 77 -6.752 7.323 -12.342 1.00 0.00 C ATOM 0 H THR A 77 -4.004 6.787 -14.051 1.00 0.00 H new ATOM 0 HA THR A 77 -5.296 8.466 -14.642 1.00 0.00 H new ATOM 0 HB THR A 77 -6.913 9.248 -13.251 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.628 9.795 -11.127 1.00 0.00 H new ATOM 0 HG21 THR A 77 -7.611 7.454 -11.685 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.067 6.816 -13.254 1.00 0.00 H new ATOM 0 HG23 THR A 77 -5.996 6.722 -11.836 1.00 0.00 H new ATOM 884 N PRO A 78 -4.212 10.747 -14.573 1.00 0.00 N ATOM 885 CA PRO A 78 -3.492 12.014 -14.591 1.00 0.00 C ATOM 886 C PRO A 78 -3.775 12.880 -13.365 1.00 0.00 C ATOM 887 O PRO A 78 -2.967 13.716 -12.970 1.00 0.00 O ATOM 888 CB PRO A 78 -4.009 12.707 -15.862 1.00 0.00 C ATOM 889 CG PRO A 78 -4.485 11.604 -16.724 1.00 0.00 C ATOM 890 CD PRO A 78 -5.008 10.548 -15.794 1.00 0.00 C ATOM 0 HA PRO A 78 -2.414 11.856 -14.578 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -4.814 13.406 -15.633 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.220 13.279 -16.350 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -5.266 11.948 -17.402 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -3.676 11.214 -17.341 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.074 10.672 -15.604 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -4.872 9.547 -16.204 1.00 0.00 H new ATOM 898 N ILE A 79 -4.940 12.655 -12.761 1.00 0.00 N ATOM 899 CA ILE A 79 -5.333 13.408 -11.569 1.00 0.00 C ATOM 900 C ILE A 79 -4.542 12.976 -10.339 1.00 0.00 C ATOM 901 O ILE A 79 -4.640 13.600 -9.279 1.00 0.00 O ATOM 902 CB ILE A 79 -6.837 13.247 -11.279 1.00 0.00 C ATOM 903 CG1 ILE A 79 -7.652 13.475 -12.556 1.00 0.00 C ATOM 904 CG2 ILE A 79 -7.275 14.210 -10.183 1.00 0.00 C ATOM 905 CD1 ILE A 79 -8.025 12.194 -13.268 1.00 0.00 C ATOM 0 H ILE A 79 -5.623 11.965 -13.072 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.113 14.455 -11.778 1.00 0.00 H new ATOM 0 HB ILE A 79 -7.017 12.230 -10.932 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -8.562 14.020 -12.305 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.079 14.106 -13.236 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.340 14.083 -9.991 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -6.715 14.003 -9.271 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.084 15.235 -10.501 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.601 12.430 -14.163 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.119 11.657 -13.550 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -8.624 11.570 -12.605 1.00 0.00 H new ATOM 917 N ASN A 80 -3.761 11.911 -10.482 1.00 0.00 N ATOM 918 CA ASN A 80 -2.953 11.399 -9.374 1.00 0.00 C ATOM 919 C ASN A 80 -3.829 10.764 -8.304 1.00 0.00 C ATOM 920 O ASN A 80 -4.143 11.394 -7.285 1.00 0.00 O ATOM 921 CB ASN A 80 -2.104 12.520 -8.763 1.00 0.00 C ATOM 922 CG ASN A 80 -0.980 11.988 -7.901 1.00 0.00 C ATOM 923 OD1 ASN A 80 -0.679 10.792 -7.919 1.00 0.00 O ATOM 924 ND2 ASN A 80 -0.355 12.882 -7.134 1.00 0.00 N ATOM 0 H ASN A 80 -3.668 11.384 -11.351 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.289 10.632 -9.773 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.687 13.133 -9.562 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -2.742 13.169 -8.163 1.00 0.00 H new ATOM 0 HD21 ASN A 80 0.409 12.587 -6.527 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.641 13.861 -7.155 1.00 0.00 H new ATOM 931 N PHE A 81 -4.217 9.518 -8.531 1.00 0.00 N ATOM 932 CA PHE A 81 -5.050 8.793 -7.582 1.00 0.00 C ATOM 933 C PHE A 81 -4.339 7.548 -7.078 1.00 0.00 C ATOM 934 O PHE A 81 -3.382 7.078 -7.692 1.00 0.00 O ATOM 935 CB PHE A 81 -6.382 8.404 -8.225 1.00 0.00 C ATOM 936 CG PHE A 81 -7.240 9.584 -8.607 1.00 0.00 C ATOM 937 CD1 PHE A 81 -7.312 10.695 -7.782 1.00 0.00 C ATOM 938 CD2 PHE A 81 -7.971 9.564 -9.779 1.00 0.00 C ATOM 939 CE1 PHE A 81 -8.102 11.782 -8.138 1.00 0.00 C ATOM 940 CE2 PHE A 81 -8.765 10.649 -10.136 1.00 0.00 C ATOM 941 CZ PHE A 81 -8.828 11.753 -9.311 1.00 0.00 C ATOM 0 H PHE A 81 -3.968 8.987 -9.365 1.00 0.00 H new ATOM 0 HA PHE A 81 -5.243 9.451 -6.735 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.185 7.807 -9.115 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -6.938 7.771 -7.533 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -6.752 10.716 -6.859 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -7.926 8.699 -10.424 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -8.148 12.649 -7.496 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.330 10.627 -11.056 1.00 0.00 H new ATOM 0 HZ PHE A 81 -9.446 12.595 -9.584 1.00 0.00 H new ATOM 951 N LEU A 82 -4.808 7.013 -5.953 1.00 0.00 N ATOM 952 CA LEU A 82 -4.212 5.817 -5.366 1.00 0.00 C ATOM 953 C LEU A 82 -4.917 4.560 -5.866 1.00 0.00 C ATOM 954 O LEU A 82 -5.988 4.198 -5.373 1.00 0.00 O ATOM 955 CB LEU A 82 -4.273 5.880 -3.848 1.00 0.00 C ATOM 956 CG LEU A 82 -3.206 5.060 -3.125 1.00 0.00 C ATOM 957 CD1 LEU A 82 -1.860 5.775 -3.179 1.00 0.00 C ATOM 958 CD2 LEU A 82 -3.613 4.802 -1.684 1.00 0.00 C ATOM 0 H LEU A 82 -5.599 7.389 -5.430 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.167 5.775 -5.674 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.181 6.921 -3.539 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.255 5.536 -3.524 1.00 0.00 H new ATOM 0 HG LEU A 82 -3.110 4.099 -3.630 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -1.110 5.178 -2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.561 5.909 -4.218 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.946 6.749 -2.698 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -2.840 4.217 -1.187 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.738 5.753 -1.166 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.554 4.252 -1.665 1.00 0.00 H new ATOM 970 N CYS A 83 -4.309 3.900 -6.848 1.00 0.00 N ATOM 971 CA CYS A 83 -4.873 2.681 -7.413 1.00 0.00 C ATOM 972 C CYS A 83 -4.178 1.448 -6.849 1.00 0.00 C ATOM 973 O CYS A 83 -3.121 1.040 -7.336 1.00 0.00 O ATOM 974 CB CYS A 83 -4.748 2.697 -8.938 1.00 0.00 C ATOM 975 SG CYS A 83 -5.787 3.935 -9.756 1.00 0.00 S ATOM 0 H CYS A 83 -3.426 4.190 -7.268 1.00 0.00 H new ATOM 0 HA CYS A 83 -5.928 2.638 -7.141 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -3.707 2.880 -9.204 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -5.007 1.711 -9.323 1.00 0.00 H new ATOM 0 HG CYS A 83 -5.962 3.601 -11.000 1.00 0.00 H new ATOM 981 N ILE A 84 -4.774 0.862 -5.822 1.00 0.00 N ATOM 982 CA ILE A 84 -4.212 -0.322 -5.187 1.00 0.00 C ATOM 983 C ILE A 84 -4.784 -1.598 -5.794 1.00 0.00 C ATOM 984 O ILE A 84 -6.000 -1.759 -5.902 1.00 0.00 O ATOM 985 CB ILE A 84 -4.473 -0.320 -3.670 1.00 0.00 C ATOM 986 CG1 ILE A 84 -3.846 0.925 -3.026 1.00 0.00 C ATOM 987 CG2 ILE A 84 -3.954 -1.605 -3.030 1.00 0.00 C ATOM 988 CD1 ILE A 84 -2.629 0.641 -2.176 1.00 0.00 C ATOM 0 H ILE A 84 -5.648 1.187 -5.409 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.136 -0.296 -5.362 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.549 -0.282 -3.498 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -3.569 1.626 -3.813 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.598 1.418 -2.410 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.149 -1.582 -1.958 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.461 -2.462 -3.473 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -2.881 -1.689 -3.202 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.250 1.574 -1.760 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -2.901 -0.034 -1.365 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.857 0.177 -2.790 1.00 0.00 H new ATOM 1000 N PHE A 85 -3.895 -2.504 -6.181 1.00 0.00 N ATOM 1001 CA PHE A 85 -4.297 -3.773 -6.773 1.00 0.00 C ATOM 1002 C PHE A 85 -3.690 -4.931 -5.983 1.00 0.00 C ATOM 1003 O PHE A 85 -2.599 -5.399 -6.312 1.00 0.00 O ATOM 1004 CB PHE A 85 -3.858 -3.843 -8.235 1.00 0.00 C ATOM 1005 CG PHE A 85 -4.989 -3.682 -9.211 1.00 0.00 C ATOM 1006 CD1 PHE A 85 -5.849 -4.736 -9.475 1.00 0.00 C ATOM 1007 CD2 PHE A 85 -5.190 -2.479 -9.863 1.00 0.00 C ATOM 1008 CE1 PHE A 85 -6.890 -4.592 -10.368 1.00 0.00 C ATOM 1009 CE2 PHE A 85 -6.226 -2.328 -10.765 1.00 0.00 C ATOM 1010 CZ PHE A 85 -7.078 -3.386 -11.018 1.00 0.00 C ATOM 0 H PHE A 85 -2.886 -2.382 -6.095 1.00 0.00 H new ATOM 0 HA PHE A 85 -5.384 -3.849 -6.735 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.116 -3.066 -8.420 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -3.369 -4.801 -8.413 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -5.702 -5.682 -8.975 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -4.530 -1.648 -9.665 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -7.557 -5.420 -10.559 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -6.369 -1.385 -11.271 1.00 0.00 H new ATOM 0 HZ PHE A 85 -7.889 -3.271 -11.722 1.00 0.00 H new ATOM 1020 N ILE A 86 -4.395 -5.375 -4.952 1.00 0.00 N ATOM 1021 CA ILE A 86 -3.920 -6.470 -4.111 1.00 0.00 C ATOM 1022 C ILE A 86 -4.278 -7.838 -4.703 1.00 0.00 C ATOM 1023 O ILE A 86 -5.423 -8.281 -4.605 1.00 0.00 O ATOM 1024 CB ILE A 86 -4.506 -6.374 -2.685 1.00 0.00 C ATOM 1025 CG1 ILE A 86 -3.972 -7.512 -1.809 1.00 0.00 C ATOM 1026 CG2 ILE A 86 -6.027 -6.398 -2.725 1.00 0.00 C ATOM 1027 CD1 ILE A 86 -4.186 -7.287 -0.329 1.00 0.00 C ATOM 0 H ILE A 86 -5.300 -4.994 -4.676 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.835 -6.377 -4.066 1.00 0.00 H new ATOM 0 HB ILE A 86 -4.192 -5.426 -2.249 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.458 -8.443 -2.101 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.906 -7.636 -1.999 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -6.419 -6.329 -1.710 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.389 -5.554 -3.312 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -6.364 -7.328 -3.182 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.783 -8.132 0.229 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -3.676 -6.374 -0.022 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -5.253 -7.193 -0.126 1.00 0.00 H new ATOM 1039 N PRO A 87 -3.304 -8.530 -5.329 1.00 0.00 N ATOM 1040 CA PRO A 87 -3.521 -9.839 -5.927 1.00 0.00 C ATOM 1041 C PRO A 87 -3.311 -10.961 -4.917 1.00 0.00 C ATOM 1042 O PRO A 87 -2.213 -11.133 -4.386 1.00 0.00 O ATOM 1043 CB PRO A 87 -2.459 -9.909 -7.035 1.00 0.00 C ATOM 1044 CG PRO A 87 -1.581 -8.702 -6.856 1.00 0.00 C ATOM 1045 CD PRO A 87 -1.919 -8.109 -5.516 1.00 0.00 C ATOM 0 HA PRO A 87 -4.540 -9.962 -6.294 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.877 -10.828 -6.958 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.925 -9.908 -8.020 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -0.528 -8.981 -6.900 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.753 -7.978 -7.653 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -1.269 -8.489 -4.728 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -1.820 -7.023 -5.515 1.00 0.00 H new ATOM 1053 N THR A 88 -4.366 -11.719 -4.653 1.00 0.00 N ATOM 1054 CA THR A 88 -4.287 -12.819 -3.701 1.00 0.00 C ATOM 1055 C THR A 88 -5.519 -13.713 -3.788 1.00 0.00 C ATOM 1056 O THR A 88 -6.636 -13.234 -3.993 1.00 0.00 O ATOM 1057 CB THR A 88 -4.130 -12.274 -2.278 1.00 0.00 C ATOM 1058 OG1 THR A 88 -3.916 -13.329 -1.357 1.00 0.00 O ATOM 1059 CG2 THR A 88 -5.332 -11.488 -1.801 1.00 0.00 C ATOM 0 H THR A 88 -5.283 -11.594 -5.082 1.00 0.00 H new ATOM 0 HA THR A 88 -3.414 -13.422 -3.952 1.00 0.00 H new ATOM 0 HB THR A 88 -3.271 -11.605 -2.320 1.00 0.00 H new ATOM 0 HG1 THR A 88 -4.279 -13.078 -0.482 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.154 -11.131 -0.787 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.496 -10.637 -2.462 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.213 -12.129 -1.811 1.00 0.00 H new ATOM 1067 N LEU A 89 -5.311 -15.016 -3.626 1.00 0.00 N ATOM 1068 CA LEU A 89 -6.404 -15.978 -3.683 1.00 0.00 C ATOM 1069 C LEU A 89 -6.986 -16.211 -2.293 1.00 0.00 C ATOM 1070 O LEU A 89 -6.581 -17.133 -1.585 1.00 0.00 O ATOM 1071 CB LEU A 89 -5.919 -17.301 -4.279 1.00 0.00 C ATOM 1072 CG LEU A 89 -6.196 -17.480 -5.773 1.00 0.00 C ATOM 1073 CD1 LEU A 89 -7.693 -17.511 -6.039 1.00 0.00 C ATOM 1074 CD2 LEU A 89 -5.534 -16.368 -6.573 1.00 0.00 C ATOM 0 H LEU A 89 -4.394 -15.429 -3.454 1.00 0.00 H new ATOM 0 HA LEU A 89 -7.186 -15.570 -4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.845 -17.385 -4.112 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -6.391 -18.120 -3.737 1.00 0.00 H new ATOM 0 HG LEU A 89 -5.772 -18.433 -6.090 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.870 -17.639 -7.107 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.142 -18.342 -5.495 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.141 -16.575 -5.706 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -5.741 -16.510 -7.634 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -5.929 -15.404 -6.252 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.457 -16.392 -6.407 1.00 0.00 H new ATOM 1086 N PHE A 90 -7.935 -15.365 -1.905 1.00 0.00 N ATOM 1087 CA PHE A 90 -8.569 -15.471 -0.602 1.00 0.00 C ATOM 1088 C PHE A 90 -9.194 -16.841 -0.415 1.00 0.00 C ATOM 1089 O PHE A 90 -10.288 -17.124 -0.903 1.00 0.00 O ATOM 1090 CB PHE A 90 -9.609 -14.367 -0.418 1.00 0.00 C ATOM 1091 CG PHE A 90 -10.659 -14.671 0.617 1.00 0.00 C ATOM 1092 CD1 PHE A 90 -10.298 -15.135 1.872 1.00 0.00 C ATOM 1093 CD2 PHE A 90 -12.003 -14.489 0.334 1.00 0.00 C ATOM 1094 CE1 PHE A 90 -11.259 -15.413 2.825 1.00 0.00 C ATOM 1095 CE2 PHE A 90 -12.969 -14.767 1.283 1.00 0.00 C ATOM 1096 CZ PHE A 90 -12.597 -15.229 2.530 1.00 0.00 C ATOM 0 H PHE A 90 -8.281 -14.596 -2.479 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.802 -15.346 0.162 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -9.098 -13.445 -0.140 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -10.100 -14.184 -1.374 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -9.254 -15.281 2.108 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -12.299 -14.126 -0.639 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -10.965 -15.774 3.800 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -14.014 -14.623 1.049 1.00 0.00 H new ATOM 0 HZ PHE A 90 -13.350 -15.446 3.273 1.00 0.00 H new ATOM 1106 N ASP A 91 -8.472 -17.677 0.300 1.00 0.00 N ATOM 1107 CA ASP A 91 -8.913 -19.039 0.583 1.00 0.00 C ATOM 1108 C ASP A 91 -7.875 -19.791 1.411 1.00 0.00 C ATOM 1109 O ASP A 91 -8.222 -20.594 2.278 1.00 0.00 O ATOM 1110 CB ASP A 91 -9.184 -19.794 -0.720 1.00 0.00 C ATOM 1111 CG ASP A 91 -10.381 -20.719 -0.614 1.00 0.00 C ATOM 1112 OD1 ASP A 91 -11.516 -20.209 -0.504 1.00 0.00 O ATOM 1113 OD2 ASP A 91 -10.184 -21.952 -0.641 1.00 0.00 O ATOM 0 H ASP A 91 -7.566 -17.440 0.703 1.00 0.00 H new ATOM 0 HA ASP A 91 -9.836 -18.978 1.159 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -9.352 -19.077 -1.524 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -8.302 -20.375 -0.990 1.00 0.00 H new ATOM 1118 N MET A 92 -6.600 -19.529 1.137 1.00 0.00 N ATOM 1119 CA MET A 92 -5.514 -20.189 1.856 1.00 0.00 C ATOM 1120 C MET A 92 -5.200 -19.467 3.164 1.00 0.00 C ATOM 1121 O MET A 92 -5.264 -20.058 4.240 1.00 0.00 O ATOM 1122 CB MET A 92 -4.262 -20.256 0.978 1.00 0.00 C ATOM 1123 CG MET A 92 -3.679 -21.655 0.859 1.00 0.00 C ATOM 1124 SD MET A 92 -2.232 -21.899 1.907 1.00 0.00 S ATOM 1125 CE MET A 92 -2.862 -23.097 3.081 1.00 0.00 C ATOM 0 H MET A 92 -6.294 -18.866 0.425 1.00 0.00 H new ATOM 0 HA MET A 92 -5.836 -21.202 2.097 1.00 0.00 H new ATOM 0 HB2 MET A 92 -4.506 -19.887 -0.018 1.00 0.00 H new ATOM 0 HB3 MET A 92 -3.504 -19.589 1.388 1.00 0.00 H new ATOM 0 HG2 MET A 92 -4.442 -22.386 1.125 1.00 0.00 H new ATOM 0 HG3 MET A 92 -3.406 -21.843 -0.179 1.00 0.00 H new ATOM 0 HE1 MET A 92 -2.081 -23.350 3.798 1.00 0.00 H new ATOM 0 HE2 MET A 92 -3.716 -22.674 3.609 1.00 0.00 H new ATOM 0 HE3 MET A 92 -3.173 -23.997 2.551 1.00 0.00 H new ATOM 1135 N ASN A 93 -4.858 -18.185 3.063 1.00 0.00 N ATOM 1136 CA ASN A 93 -4.531 -17.384 4.240 1.00 0.00 C ATOM 1137 C ASN A 93 -5.639 -17.471 5.287 1.00 0.00 C ATOM 1138 O ASN A 93 -5.385 -17.342 6.485 1.00 0.00 O ATOM 1139 CB ASN A 93 -4.301 -15.925 3.843 1.00 0.00 C ATOM 1140 CG ASN A 93 -5.539 -15.283 3.250 1.00 0.00 C ATOM 1141 OD1 ASN A 93 -6.366 -14.722 3.970 1.00 0.00 O ATOM 1142 ND2 ASN A 93 -5.674 -15.364 1.933 1.00 0.00 N ATOM 0 H ASN A 93 -4.800 -17.679 2.179 1.00 0.00 H new ATOM 0 HA ASN A 93 -3.615 -17.784 4.675 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -3.986 -15.359 4.719 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -3.487 -15.872 3.120 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -6.488 -14.952 1.477 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.964 -15.839 1.376 1.00 0.00 H new ATOM 1149 N ASN A 94 -6.867 -17.692 4.827 1.00 0.00 N ATOM 1150 CA ASN A 94 -8.014 -17.800 5.724 1.00 0.00 C ATOM 1151 C ASN A 94 -8.146 -16.561 6.605 1.00 0.00 C ATOM 1152 O ASN A 94 -8.680 -16.630 7.712 1.00 0.00 O ATOM 1153 CB ASN A 94 -7.886 -19.052 6.596 1.00 0.00 C ATOM 1154 CG ASN A 94 -8.980 -20.065 6.319 1.00 0.00 C ATOM 1155 OD1 ASN A 94 -10.022 -19.730 5.755 1.00 0.00 O ATOM 1156 ND2 ASN A 94 -8.748 -21.310 6.717 1.00 0.00 N ATOM 0 H ASN A 94 -7.094 -17.800 3.838 1.00 0.00 H new ATOM 0 HA ASN A 94 -8.913 -17.878 5.112 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -6.914 -19.514 6.422 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -7.919 -18.764 7.647 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -9.448 -22.035 6.559 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -7.870 -21.542 7.181 1.00 0.00 H new ATOM 1163 N MET A 95 -7.658 -15.428 6.109 1.00 0.00 N ATOM 1164 CA MET A 95 -7.725 -14.178 6.855 1.00 0.00 C ATOM 1165 C MET A 95 -7.979 -12.999 5.917 1.00 0.00 C ATOM 1166 O MET A 95 -9.106 -12.516 5.805 1.00 0.00 O ATOM 1167 CB MET A 95 -6.428 -13.962 7.641 1.00 0.00 C ATOM 1168 CG MET A 95 -6.349 -12.609 8.330 1.00 0.00 C ATOM 1169 SD MET A 95 -6.234 -12.742 10.125 1.00 0.00 S ATOM 1170 CE MET A 95 -7.927 -13.154 10.543 1.00 0.00 C ATOM 0 H MET A 95 -7.213 -15.351 5.195 1.00 0.00 H new ATOM 0 HA MET A 95 -8.557 -14.241 7.557 1.00 0.00 H new ATOM 0 HB2 MET A 95 -6.333 -14.748 8.391 1.00 0.00 H new ATOM 0 HB3 MET A 95 -5.581 -14.064 6.963 1.00 0.00 H new ATOM 0 HG2 MET A 95 -5.482 -12.066 7.955 1.00 0.00 H new ATOM 0 HG3 MET A 95 -7.230 -12.022 8.070 1.00 0.00 H new ATOM 0 HE1 MET A 95 -8.017 -13.269 11.623 1.00 0.00 H new ATOM 0 HE2 MET A 95 -8.589 -12.356 10.207 1.00 0.00 H new ATOM 0 HE3 MET A 95 -8.206 -14.087 10.054 1.00 0.00 H new ATOM 1180 N ASP A 96 -6.927 -12.540 5.247 1.00 0.00 N ATOM 1181 CA ASP A 96 -7.039 -11.418 4.322 1.00 0.00 C ATOM 1182 C ASP A 96 -7.540 -10.168 5.040 1.00 0.00 C ATOM 1183 O ASP A 96 -8.743 -9.973 5.202 1.00 0.00 O ATOM 1184 CB ASP A 96 -7.982 -11.775 3.170 1.00 0.00 C ATOM 1185 CG ASP A 96 -7.342 -11.566 1.812 1.00 0.00 C ATOM 1186 OD1 ASP A 96 -7.384 -10.424 1.306 1.00 0.00 O ATOM 1187 OD2 ASP A 96 -6.798 -12.541 1.255 1.00 0.00 O ATOM 0 H ASP A 96 -5.987 -12.928 5.327 1.00 0.00 H new ATOM 0 HA ASP A 96 -6.048 -11.208 3.920 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -8.291 -12.816 3.266 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.884 -11.167 3.241 1.00 0.00 H new ATOM 1192 N LEU A 97 -6.606 -9.325 5.470 1.00 0.00 N ATOM 1193 CA LEU A 97 -6.952 -8.094 6.171 1.00 0.00 C ATOM 1194 C LEU A 97 -7.009 -6.914 5.204 1.00 0.00 C ATOM 1195 O LEU A 97 -6.075 -6.117 5.126 1.00 0.00 O ATOM 1196 CB LEU A 97 -5.940 -7.817 7.286 1.00 0.00 C ATOM 1197 CG LEU A 97 -6.478 -7.998 8.706 1.00 0.00 C ATOM 1198 CD1 LEU A 97 -6.513 -9.472 9.080 1.00 0.00 C ATOM 1199 CD2 LEU A 97 -5.632 -7.214 9.699 1.00 0.00 C ATOM 0 H LEU A 97 -5.604 -9.472 5.345 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.940 -8.220 6.614 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.083 -8.477 7.151 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -5.575 -6.796 7.179 1.00 0.00 H new ATOM 0 HG LEU A 97 -7.497 -7.612 8.741 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -6.899 -9.581 10.094 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.160 -10.008 8.386 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -5.505 -9.884 9.029 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -6.028 -7.354 10.705 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.603 -7.571 9.662 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.658 -6.155 9.443 1.00 0.00 H new ATOM 1211 N LEU A 98 -8.112 -6.811 4.470 1.00 0.00 N ATOM 1212 CA LEU A 98 -8.293 -5.729 3.510 1.00 0.00 C ATOM 1213 C LEU A 98 -8.917 -4.505 4.175 1.00 0.00 C ATOM 1214 O LEU A 98 -8.732 -3.377 3.720 1.00 0.00 O ATOM 1215 CB LEU A 98 -9.170 -6.194 2.345 1.00 0.00 C ATOM 1216 CG LEU A 98 -8.508 -7.195 1.396 1.00 0.00 C ATOM 1217 CD1 LEU A 98 -9.519 -8.226 0.917 1.00 0.00 C ATOM 1218 CD2 LEU A 98 -7.882 -6.470 0.213 1.00 0.00 C ATOM 0 H LEU A 98 -8.894 -7.464 4.522 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.311 -5.449 3.129 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -10.076 -6.645 2.750 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.478 -5.320 1.770 1.00 0.00 H new ATOM 0 HG LEU A 98 -7.719 -7.716 1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -9.030 -8.929 0.243 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -9.923 -8.765 1.774 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -10.330 -7.723 0.390 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.415 -7.196 -0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.654 -5.924 -0.329 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -7.128 -5.770 0.573 1.00 0.00 H new ATOM 1230 N LYS A 99 -9.661 -4.739 5.252 1.00 0.00 N ATOM 1231 CA LYS A 99 -10.318 -3.658 5.981 1.00 0.00 C ATOM 1232 C LYS A 99 -9.315 -2.597 6.428 1.00 0.00 C ATOM 1233 O LYS A 99 -9.677 -1.441 6.639 1.00 0.00 O ATOM 1234 CB LYS A 99 -11.061 -4.216 7.197 1.00 0.00 C ATOM 1235 CG LYS A 99 -12.093 -5.275 6.848 1.00 0.00 C ATOM 1236 CD LYS A 99 -12.447 -6.128 8.056 1.00 0.00 C ATOM 1237 CE LYS A 99 -13.090 -5.298 9.154 1.00 0.00 C ATOM 1238 NZ LYS A 99 -13.773 -6.149 10.168 1.00 0.00 N ATOM 0 H LYS A 99 -9.824 -5.668 5.640 1.00 0.00 H new ATOM 0 HA LYS A 99 -11.032 -3.187 5.305 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -10.336 -4.642 7.891 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.556 -3.396 7.717 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.993 -4.795 6.464 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -11.707 -5.912 6.052 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -13.128 -6.924 7.754 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -11.547 -6.607 8.441 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -12.328 -4.691 9.643 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -13.811 -4.610 8.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -14.198 -5.544 10.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -14.517 -6.709 9.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -13.081 -6.789 10.608 1.00 0.00 H new ATOM 1252 N GLN A 100 -8.054 -2.997 6.570 1.00 0.00 N ATOM 1253 CA GLN A 100 -7.007 -2.073 6.993 1.00 0.00 C ATOM 1254 C GLN A 100 -6.519 -1.231 5.819 1.00 0.00 C ATOM 1255 O GLN A 100 -6.221 -0.047 5.975 1.00 0.00 O ATOM 1256 CB GLN A 100 -5.835 -2.839 7.611 1.00 0.00 C ATOM 1257 CG GLN A 100 -5.373 -4.026 6.782 1.00 0.00 C ATOM 1258 CD GLN A 100 -3.957 -4.453 7.116 1.00 0.00 C ATOM 1259 OE1 GLN A 100 -3.705 -5.616 7.433 1.00 0.00 O ATOM 1260 NE2 GLN A 100 -3.023 -3.512 7.045 1.00 0.00 N ATOM 0 H GLN A 100 -7.734 -3.950 6.399 1.00 0.00 H new ATOM 0 HA GLN A 100 -7.429 -1.406 7.745 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -4.997 -2.155 7.747 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -6.124 -3.190 8.602 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -6.050 -4.865 6.946 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -5.432 -3.771 5.724 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -3.277 -2.561 6.778 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -2.052 -3.740 7.257 1.00 0.00 H new ATOM 1269 N ALA A 101 -6.444 -1.847 4.644 1.00 0.00 N ATOM 1270 CA ALA A 101 -5.998 -1.151 3.445 1.00 0.00 C ATOM 1271 C ALA A 101 -6.941 -0.003 3.101 1.00 0.00 C ATOM 1272 O ALA A 101 -6.505 1.075 2.697 1.00 0.00 O ATOM 1273 CB ALA A 101 -5.898 -2.123 2.278 1.00 0.00 C ATOM 0 H ALA A 101 -6.687 -2.827 4.498 1.00 0.00 H new ATOM 0 HA ALA A 101 -5.010 -0.733 3.639 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -5.564 -1.590 1.388 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -5.183 -2.910 2.520 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -6.876 -2.567 2.089 1.00 0.00 H new ATOM 1279 N LEU A 102 -8.238 -0.245 3.269 1.00 0.00 N ATOM 1280 CA LEU A 102 -9.247 0.767 2.981 1.00 0.00 C ATOM 1281 C LEU A 102 -9.306 1.808 4.093 1.00 0.00 C ATOM 1282 O LEU A 102 -9.634 2.970 3.853 1.00 0.00 O ATOM 1283 CB LEU A 102 -10.619 0.110 2.805 1.00 0.00 C ATOM 1284 CG LEU A 102 -10.982 -0.257 1.365 1.00 0.00 C ATOM 1285 CD1 LEU A 102 -11.749 -1.570 1.323 1.00 0.00 C ATOM 1286 CD2 LEU A 102 -11.794 0.857 0.721 1.00 0.00 C ATOM 0 H LEU A 102 -8.614 -1.133 3.603 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.970 1.270 2.054 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -10.653 -0.794 3.414 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -11.381 0.785 3.195 1.00 0.00 H new ATOM 0 HG LEU A 102 -10.059 -0.383 0.799 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -11.998 -1.813 0.290 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -11.133 -2.365 1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -12.666 -1.474 1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -12.044 0.580 -0.303 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -12.711 1.014 1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -11.209 1.777 0.715 1.00 0.00 H new ATOM 1298 N LEU A 103 -8.987 1.383 5.312 1.00 0.00 N ATOM 1299 CA LEU A 103 -9.004 2.279 6.462 1.00 0.00 C ATOM 1300 C LEU A 103 -7.791 3.206 6.454 1.00 0.00 C ATOM 1301 O LEU A 103 -7.846 4.315 6.984 1.00 0.00 O ATOM 1302 CB LEU A 103 -9.037 1.470 7.763 1.00 0.00 C ATOM 1303 CG LEU A 103 -10.359 1.540 8.535 1.00 0.00 C ATOM 1304 CD1 LEU A 103 -11.046 0.183 8.547 1.00 0.00 C ATOM 1305 CD2 LEU A 103 -10.124 2.033 9.955 1.00 0.00 C ATOM 0 H LEU A 103 -8.714 0.424 5.528 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.903 2.892 6.399 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -8.824 0.427 7.530 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.235 1.821 8.412 1.00 0.00 H new ATOM 0 HG LEU A 103 -11.013 2.250 8.029 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -11.983 0.254 9.100 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -11.252 -0.130 7.523 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -10.396 -0.549 9.026 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -11.074 2.076 10.487 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -9.450 1.349 10.471 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -9.679 3.028 9.926 1.00 0.00 H new ATOM 1317 N ILE A 104 -6.698 2.746 5.853 1.00 0.00 N ATOM 1318 CA ILE A 104 -5.484 3.536 5.782 1.00 0.00 C ATOM 1319 C ILE A 104 -5.552 4.558 4.649 1.00 0.00 C ATOM 1320 O ILE A 104 -5.060 5.683 4.790 1.00 0.00 O ATOM 1321 CB ILE A 104 -4.236 2.645 5.598 1.00 0.00 C ATOM 1322 CG1 ILE A 104 -2.961 3.493 5.604 1.00 0.00 C ATOM 1323 CG2 ILE A 104 -4.334 1.844 4.309 1.00 0.00 C ATOM 1324 CD1 ILE A 104 -2.719 4.208 6.917 1.00 0.00 C ATOM 0 H ILE A 104 -6.633 1.830 5.410 1.00 0.00 H new ATOM 0 HA ILE A 104 -5.398 4.065 6.731 1.00 0.00 H new ATOM 0 HB ILE A 104 -4.190 1.948 6.434 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -2.107 2.852 5.385 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -3.020 4.230 4.803 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -3.445 1.223 4.198 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -5.219 1.208 4.342 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -4.408 2.526 3.462 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -1.800 4.790 6.851 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -3.555 4.874 7.128 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -2.628 3.475 7.719 1.00 0.00 H new ATOM 1336 N LEU A 105 -6.148 4.171 3.533 1.00 0.00 N ATOM 1337 CA LEU A 105 -6.275 5.066 2.387 1.00 0.00 C ATOM 1338 C LEU A 105 -7.381 6.080 2.617 1.00 0.00 C ATOM 1339 O LEU A 105 -7.263 7.242 2.226 1.00 0.00 O ATOM 1340 CB LEU A 105 -6.549 4.272 1.105 1.00 0.00 C ATOM 1341 CG LEU A 105 -7.788 3.375 1.143 1.00 0.00 C ATOM 1342 CD1 LEU A 105 -9.039 4.180 0.817 1.00 0.00 C ATOM 1343 CD2 LEU A 105 -7.632 2.209 0.174 1.00 0.00 C ATOM 0 H LEU A 105 -6.552 3.245 3.393 1.00 0.00 H new ATOM 0 HA LEU A 105 -5.331 5.599 2.272 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -6.654 4.974 0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.679 3.652 0.888 1.00 0.00 H new ATOM 0 HG LEU A 105 -7.892 2.972 2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -9.911 3.526 0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -9.158 4.979 1.548 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -8.945 4.611 -0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -8.522 1.581 0.214 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -7.503 2.592 -0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -6.759 1.619 0.453 1.00 0.00 H new ATOM 1355 N HIS A 106 -8.458 5.638 3.258 1.00 0.00 N ATOM 1356 CA HIS A 106 -9.592 6.518 3.546 1.00 0.00 C ATOM 1357 C HIS A 106 -9.235 7.534 4.625 1.00 0.00 C ATOM 1358 O HIS A 106 -9.478 8.729 4.468 1.00 0.00 O ATOM 1359 CB HIS A 106 -10.802 5.692 3.988 1.00 0.00 C ATOM 1360 CG HIS A 106 -12.106 6.415 3.838 1.00 0.00 C ATOM 1361 ND1 HIS A 106 -13.231 6.087 4.564 1.00 0.00 N ATOM 1362 CD2 HIS A 106 -12.458 7.447 3.040 1.00 0.00 C ATOM 1363 CE1 HIS A 106 -14.222 6.893 4.219 1.00 0.00 C ATOM 1364 NE2 HIS A 106 -13.777 7.726 3.296 1.00 0.00 N ATOM 0 H HIS A 106 -8.572 4.680 3.588 1.00 0.00 H new ATOM 0 HA HIS A 106 -9.841 7.059 2.633 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -10.837 4.772 3.405 1.00 0.00 H new ATOM 0 HB3 HIS A 106 -10.673 5.403 5.031 1.00 0.00 H new ATOM 0 HD2 HIS A 106 -11.820 7.957 2.333 1.00 0.00 H new ATOM 0 HE1 HIS A 106 -15.223 6.873 4.623 1.00 0.00 H new ATOM 0 HE2 HIS A 106 -14.325 8.459 2.846 1.00 0.00 H new ATOM 1373 N ASN A 107 -8.657 7.051 5.720 1.00 0.00 N ATOM 1374 CA ASN A 107 -8.266 7.916 6.825 1.00 0.00 C ATOM 1375 C ASN A 107 -7.270 8.977 6.361 1.00 0.00 C ATOM 1376 O ASN A 107 -7.454 10.170 6.615 1.00 0.00 O ATOM 1377 CB ASN A 107 -7.662 7.099 7.963 1.00 0.00 C ATOM 1378 CG ASN A 107 -8.720 6.455 8.837 1.00 0.00 C ATOM 1379 OD1 ASN A 107 -9.711 5.920 8.340 1.00 0.00 O ATOM 1380 ND2 ASN A 107 -8.513 6.499 10.148 1.00 0.00 N ATOM 0 H ASN A 107 -8.449 6.063 5.865 1.00 0.00 H new ATOM 0 HA ASN A 107 -9.163 8.416 7.189 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -7.017 6.325 7.548 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -7.032 7.744 8.575 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -9.189 6.079 10.785 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -7.678 6.953 10.517 1.00 0.00 H new ATOM 1387 N ASP A 108 -6.231 8.534 5.674 1.00 0.00 N ATOM 1388 CA ASP A 108 -5.204 9.437 5.170 1.00 0.00 C ATOM 1389 C ASP A 108 -5.812 10.496 4.252 1.00 0.00 C ATOM 1390 O ASP A 108 -5.290 11.604 4.135 1.00 0.00 O ATOM 1391 CB ASP A 108 -4.117 8.658 4.423 1.00 0.00 C ATOM 1392 CG ASP A 108 -2.761 9.333 4.504 1.00 0.00 C ATOM 1393 OD1 ASP A 108 -2.300 9.610 5.632 1.00 0.00 O ATOM 1394 OD2 ASP A 108 -2.161 9.577 3.437 1.00 0.00 O ATOM 0 H ASP A 108 -6.074 7.551 5.451 1.00 0.00 H new ATOM 0 HA ASP A 108 -4.751 9.938 6.026 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -4.044 7.653 4.838 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -4.404 8.551 3.377 1.00 0.00 H new ATOM 1399 N LEU A 109 -6.915 10.134 3.601 1.00 0.00 N ATOM 1400 CA LEU A 109 -7.595 11.049 2.692 1.00 0.00 C ATOM 1401 C LEU A 109 -8.723 11.802 3.401 1.00 0.00 C ATOM 1402 O LEU A 109 -9.215 12.817 2.903 1.00 0.00 O ATOM 1403 CB LEU A 109 -8.150 10.284 1.493 1.00 0.00 C ATOM 1404 CG LEU A 109 -8.953 11.129 0.502 1.00 0.00 C ATOM 1405 CD1 LEU A 109 -8.040 12.091 -0.242 1.00 0.00 C ATOM 1406 CD2 LEU A 109 -9.704 10.232 -0.474 1.00 0.00 C ATOM 0 H LEU A 109 -7.354 9.217 3.686 1.00 0.00 H new ATOM 0 HA LEU A 109 -6.866 11.781 2.345 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -7.319 9.819 0.962 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -8.786 9.478 1.858 1.00 0.00 H new ATOM 0 HG LEU A 109 -9.683 11.716 1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -8.629 12.683 -0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -7.550 12.754 0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -7.285 11.526 -0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -10.270 10.848 -1.172 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -8.992 9.619 -1.026 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -10.388 9.587 0.077 1.00 0.00 H new ATOM 1418 N HIS A 110 -9.136 11.302 4.563 1.00 0.00 N ATOM 1419 CA HIS A 110 -10.207 11.921 5.333 1.00 0.00 C ATOM 1420 C HIS A 110 -9.910 13.394 5.626 1.00 0.00 C ATOM 1421 O HIS A 110 -10.815 14.165 5.941 1.00 0.00 O ATOM 1422 CB HIS A 110 -10.426 11.164 6.645 1.00 0.00 C ATOM 1423 CG HIS A 110 -11.868 10.991 7.002 1.00 0.00 C ATOM 1424 ND1 HIS A 110 -12.311 10.081 7.937 1.00 0.00 N ATOM 1425 CD2 HIS A 110 -12.975 11.624 6.544 1.00 0.00 C ATOM 1426 CE1 HIS A 110 -13.630 10.167 8.038 1.00 0.00 C ATOM 1427 NE2 HIS A 110 -14.054 11.091 7.204 1.00 0.00 N ATOM 0 H HIS A 110 -8.741 10.465 4.992 1.00 0.00 H new ATOM 0 HA HIS A 110 -11.115 11.872 4.732 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -9.958 10.182 6.571 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -9.922 11.697 7.451 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -13.003 12.404 5.797 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -14.252 9.577 8.695 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -15.027 11.367 7.069 1.00 0.00 H new ATOM 1436 N GLU A 111 -8.640 13.773 5.525 1.00 0.00 N ATOM 1437 CA GLU A 111 -8.240 15.153 5.786 1.00 0.00 C ATOM 1438 C GLU A 111 -8.591 16.077 4.621 1.00 0.00 C ATOM 1439 O GLU A 111 -8.299 17.275 4.667 1.00 0.00 O ATOM 1440 CB GLU A 111 -6.736 15.215 6.058 1.00 0.00 C ATOM 1441 CG GLU A 111 -6.335 14.627 7.402 1.00 0.00 C ATOM 1442 CD GLU A 111 -5.245 13.580 7.285 1.00 0.00 C ATOM 1443 OE1 GLU A 111 -4.511 13.593 6.273 1.00 0.00 O ATOM 1444 OE2 GLU A 111 -5.131 12.738 8.202 1.00 0.00 O ATOM 0 H GLU A 111 -7.875 13.150 5.266 1.00 0.00 H new ATOM 0 HA GLU A 111 -8.790 15.497 6.662 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -6.210 14.682 5.266 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -6.410 16.254 6.014 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -5.993 15.429 8.056 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -7.211 14.182 7.874 1.00 0.00 H new