USER MOD reduce.3.24.130724 H: found=0, std=0, add=937, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 937 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 32 TYR OH : rot 30:sc= 1.15 USER MOD Set 1.2: A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 102 THR OG1 : rot 150:sc= 0.977 USER MOD Set 2.1: A 7 LYS NZ :NH3+ -112:sc= 2.27 (180deg=0.317) USER MOD Set 2.2: A 17 TYR OH : rot 30:sc= 0.938 USER MOD Single : A 1 MET CE :methyl -142:sc= -2.87! (180deg=-4.17) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 1.02 K(o=1,f=-0.28) USER MOD Single : A 3 SER OG : rot -89:sc= 0.614 USER MOD Single : A 22 ASN : amide:sc= 0.605 K(o=0.6,f=0) USER MOD Single : A 25 HIS : no HD1:sc= -0.317 K(o=-0.32,f=-5.7!) USER MOD Single : A 27 LYS NZ :NH3+ 147:sc= 1.24 (180deg=0.735) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -160:sc= -0.123 (180deg=-0.562) USER MOD Single : A 45 THR OG1 : rot -170:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= -0.187 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 MET CE :methyl 155:sc= -0.201 (180deg=-1.08) USER MOD Single : A 64 LYS NZ :NH3+ -162:sc= -0.144 (180deg=-0.776) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0719 USER MOD Single : A 67 ASN : amide:sc= -0.664 K(o=-0.66,f=0) USER MOD Single : A 69 LYS NZ :NH3+ -114:sc= 0.0559 (180deg=-0.151) USER MOD Single : A 70 LYS NZ :NH3+ 152:sc= 0.363 (180deg=-0.472!) USER MOD Single : A 72 LYS NZ :NH3+ -168:sc= 1.19 (180deg=1.02) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -174:sc= 1.18 (180deg=1.02) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 148:sc= 0.473 USER MOD Single : A 83 ASN : amide:sc= -0.433 K(o=-0.43,f=-1.4) USER MOD Single : A 88 THR OG1 : rot 126:sc= 1.34 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 16:sc= 1.19 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 95 LYS NZ :NH3+ -173:sc= 1.25 (180deg=1.17) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 LYS NZ :NH3+ 169:sc= 1.22 (180deg=0.982) USER MOD Single : A 103 LYS NZ :NH3+ -177:sc= 1.2 (180deg=1.11) USER MOD Single : A 106 HIS : no HD1:sc= -0.0472 X(o=-0.047,f=-0.004) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.0203 X(o=-0.02,f=0) USER MOD Single : A 109 HIS : no HE2:sc= 0.152 K(o=0.15,f=-4.8!) USER MOD Single : A 110 HIS : no HE2:sc= 1.23 K(o=1.2,f=-3.9!) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 80.188 -10.297 -2.163 1.00 0.00 N ATOM 2 CA MET A 1 80.214 -9.651 -3.495 1.00 0.00 C ATOM 3 C MET A 1 81.398 -10.136 -4.312 1.00 0.00 C ATOM 4 O MET A 1 82.503 -10.295 -3.794 1.00 0.00 O ATOM 5 CB MET A 1 80.327 -8.127 -3.376 1.00 0.00 C ATOM 6 CG MET A 1 79.171 -7.452 -2.667 1.00 0.00 C ATOM 7 SD MET A 1 79.314 -5.653 -2.703 1.00 0.00 S ATOM 8 CE MET A 1 80.975 -5.424 -2.063 1.00 0.00 C ATOM 0 H1 MET A 1 79.369 -9.949 -1.624 1.00 0.00 H new ATOM 0 H2 MET A 1 80.113 -11.328 -2.279 1.00 0.00 H new ATOM 0 H3 MET A 1 81.063 -10.069 -1.649 1.00 0.00 H new ATOM 0 HA MET A 1 79.278 -9.918 -3.986 1.00 0.00 H new ATOM 0 HB2 MET A 1 81.249 -7.887 -2.846 1.00 0.00 H new ATOM 0 HB3 MET A 1 80.416 -7.705 -4.377 1.00 0.00 H new ATOM 0 HG2 MET A 1 78.234 -7.751 -3.136 1.00 0.00 H new ATOM 0 HG3 MET A 1 79.132 -7.792 -1.632 1.00 0.00 H new ATOM 0 HE1 MET A 1 80.999 -4.545 -1.418 1.00 0.00 H new ATOM 0 HE2 MET A 1 81.268 -6.303 -1.489 1.00 0.00 H new ATOM 0 HE3 MET A 1 81.668 -5.284 -2.892 1.00 0.00 H new ATOM 20 N ASN A 2 81.158 -10.369 -5.589 1.00 0.00 N ATOM 21 CA ASN A 2 82.237 -10.578 -6.541 1.00 0.00 C ATOM 22 C ASN A 2 82.696 -9.223 -7.059 1.00 0.00 C ATOM 23 O ASN A 2 81.972 -8.233 -6.919 1.00 0.00 O ATOM 24 CB ASN A 2 81.773 -11.465 -7.703 1.00 0.00 C ATOM 25 CG ASN A 2 81.477 -12.887 -7.267 1.00 0.00 C ATOM 26 OD1 ASN A 2 80.369 -13.196 -6.823 1.00 0.00 O ATOM 27 ND2 ASN A 2 82.457 -13.766 -7.406 1.00 0.00 N ATOM 0 H ASN A 2 80.223 -10.419 -5.993 1.00 0.00 H new ATOM 0 HA ASN A 2 83.065 -11.086 -6.047 1.00 0.00 H new ATOM 0 HB2 ASN A 2 80.879 -11.032 -8.151 1.00 0.00 H new ATOM 0 HB3 ASN A 2 82.542 -11.478 -8.475 1.00 0.00 H new ATOM 0 HD21 ASN A 2 82.310 -14.740 -7.142 1.00 0.00 H new ATOM 0 HD22 ASN A 2 83.359 -13.469 -7.778 1.00 0.00 H new ATOM 34 N SER A 3 83.882 -9.169 -7.648 1.00 0.00 N ATOM 35 CA SER A 3 84.422 -7.917 -8.175 1.00 0.00 C ATOM 36 C SER A 3 83.476 -7.301 -9.206 1.00 0.00 C ATOM 37 O SER A 3 83.375 -6.079 -9.326 1.00 0.00 O ATOM 38 CB SER A 3 85.795 -8.163 -8.796 1.00 0.00 C ATOM 39 OG SER A 3 85.766 -9.299 -9.642 1.00 0.00 O ATOM 0 H SER A 3 84.492 -9.977 -7.775 1.00 0.00 H new ATOM 0 HA SER A 3 84.524 -7.213 -7.349 1.00 0.00 H new ATOM 0 HB2 SER A 3 86.104 -7.287 -9.366 1.00 0.00 H new ATOM 0 HB3 SER A 3 86.535 -8.308 -8.009 1.00 0.00 H new ATOM 0 HG SER A 3 85.971 -10.102 -9.119 1.00 0.00 H new ATOM 45 N GLU A 4 82.776 -8.163 -9.932 1.00 0.00 N ATOM 46 CA GLU A 4 81.803 -7.733 -10.926 1.00 0.00 C ATOM 47 C GLU A 4 80.686 -6.919 -10.272 1.00 0.00 C ATOM 48 O GLU A 4 80.270 -5.885 -10.792 1.00 0.00 O ATOM 49 CB GLU A 4 81.224 -8.957 -11.633 1.00 0.00 C ATOM 50 CG GLU A 4 80.312 -8.624 -12.798 1.00 0.00 C ATOM 51 CD GLU A 4 79.769 -9.869 -13.464 1.00 0.00 C ATOM 52 OE1 GLU A 4 80.530 -10.533 -14.194 1.00 0.00 O ATOM 53 OE2 GLU A 4 78.585 -10.201 -13.243 1.00 0.00 O ATOM 0 H GLU A 4 82.866 -9.176 -9.849 1.00 0.00 H new ATOM 0 HA GLU A 4 82.301 -7.096 -11.657 1.00 0.00 H new ATOM 0 HB2 GLU A 4 82.045 -9.577 -11.993 1.00 0.00 H new ATOM 0 HB3 GLU A 4 80.668 -9.553 -10.909 1.00 0.00 H new ATOM 0 HG2 GLU A 4 79.483 -8.010 -12.446 1.00 0.00 H new ATOM 0 HG3 GLU A 4 80.860 -8.031 -13.530 1.00 0.00 H new ATOM 60 N VAL A 5 80.228 -7.384 -9.117 1.00 0.00 N ATOM 61 CA VAL A 5 79.168 -6.702 -8.381 1.00 0.00 C ATOM 62 C VAL A 5 79.669 -5.364 -7.846 1.00 0.00 C ATOM 63 O VAL A 5 78.928 -4.382 -7.802 1.00 0.00 O ATOM 64 CB VAL A 5 78.649 -7.571 -7.215 1.00 0.00 C ATOM 65 CG1 VAL A 5 77.535 -6.863 -6.457 1.00 0.00 C ATOM 66 CG2 VAL A 5 78.171 -8.918 -7.733 1.00 0.00 C ATOM 0 H VAL A 5 80.574 -8.232 -8.668 1.00 0.00 H new ATOM 0 HA VAL A 5 78.343 -6.526 -9.072 1.00 0.00 H new ATOM 0 HB VAL A 5 79.473 -7.736 -6.521 1.00 0.00 H new ATOM 0 HG11 VAL A 5 77.189 -7.498 -5.642 1.00 0.00 H new ATOM 0 HG12 VAL A 5 77.911 -5.924 -6.051 1.00 0.00 H new ATOM 0 HG13 VAL A 5 76.706 -6.659 -7.135 1.00 0.00 H new ATOM 0 HG21 VAL A 5 77.808 -9.520 -6.900 1.00 0.00 H new ATOM 0 HG22 VAL A 5 77.364 -8.767 -8.450 1.00 0.00 H new ATOM 0 HG23 VAL A 5 78.998 -9.434 -8.221 1.00 0.00 H new ATOM 76 N ILE A 6 80.938 -5.329 -7.459 1.00 0.00 N ATOM 77 CA ILE A 6 81.555 -4.096 -6.991 1.00 0.00 C ATOM 78 C ILE A 6 81.568 -3.056 -8.111 1.00 0.00 C ATOM 79 O ILE A 6 81.311 -1.876 -7.877 1.00 0.00 O ATOM 80 CB ILE A 6 82.992 -4.339 -6.479 1.00 0.00 C ATOM 81 CG1 ILE A 6 82.982 -5.398 -5.373 1.00 0.00 C ATOM 82 CG2 ILE A 6 83.608 -3.042 -5.969 1.00 0.00 C ATOM 83 CD1 ILE A 6 84.357 -5.727 -4.830 1.00 0.00 C ATOM 0 H ILE A 6 81.558 -6.139 -7.460 1.00 0.00 H new ATOM 0 HA ILE A 6 80.961 -3.722 -6.157 1.00 0.00 H new ATOM 0 HB ILE A 6 83.600 -4.701 -7.308 1.00 0.00 H new ATOM 0 HG12 ILE A 6 82.352 -5.049 -4.555 1.00 0.00 H new ATOM 0 HG13 ILE A 6 82.527 -6.310 -5.760 1.00 0.00 H new ATOM 0 HG21 ILE A 6 84.620 -3.235 -5.613 1.00 0.00 H new ATOM 0 HG22 ILE A 6 83.641 -2.312 -6.778 1.00 0.00 H new ATOM 0 HG23 ILE A 6 83.004 -2.650 -5.151 1.00 0.00 H new ATOM 0 HD11 ILE A 6 84.269 -6.484 -4.051 1.00 0.00 H new ATOM 0 HD12 ILE A 6 84.985 -6.107 -5.636 1.00 0.00 H new ATOM 0 HD13 ILE A 6 84.808 -4.827 -4.412 1.00 0.00 H new ATOM 95 N LYS A 7 81.845 -3.513 -9.332 1.00 0.00 N ATOM 96 CA LYS A 7 81.810 -2.648 -10.511 1.00 0.00 C ATOM 97 C LYS A 7 80.440 -1.993 -10.652 1.00 0.00 C ATOM 98 O LYS A 7 80.339 -0.793 -10.904 1.00 0.00 O ATOM 99 CB LYS A 7 82.127 -3.454 -11.775 1.00 0.00 C ATOM 100 CG LYS A 7 83.525 -4.044 -11.795 1.00 0.00 C ATOM 101 CD LYS A 7 83.695 -5.028 -12.941 1.00 0.00 C ATOM 102 CE LYS A 7 85.099 -5.608 -12.975 1.00 0.00 C ATOM 103 NZ LYS A 7 86.106 -4.604 -13.406 1.00 0.00 N ATOM 0 H LYS A 7 82.097 -4.481 -9.531 1.00 0.00 H new ATOM 0 HA LYS A 7 82.564 -1.871 -10.385 1.00 0.00 H new ATOM 0 HB2 LYS A 7 81.401 -4.262 -11.870 1.00 0.00 H new ATOM 0 HB3 LYS A 7 82.003 -2.810 -12.645 1.00 0.00 H new ATOM 0 HG2 LYS A 7 84.258 -3.243 -11.889 1.00 0.00 H new ATOM 0 HG3 LYS A 7 83.723 -4.547 -10.849 1.00 0.00 H new ATOM 0 HD2 LYS A 7 82.969 -5.835 -12.839 1.00 0.00 H new ATOM 0 HD3 LYS A 7 83.484 -4.527 -13.886 1.00 0.00 H new ATOM 0 HE2 LYS A 7 85.361 -5.982 -11.985 1.00 0.00 H new ATOM 0 HE3 LYS A 7 85.123 -6.460 -13.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 86.483 -4.869 -14.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 85.658 -3.667 -13.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 86.882 -4.572 -12.715 1.00 0.00 H new ATOM 117 N GLU A 8 79.396 -2.795 -10.470 1.00 0.00 N ATOM 118 CA GLU A 8 78.022 -2.311 -10.548 1.00 0.00 C ATOM 119 C GLU A 8 77.781 -1.185 -9.548 1.00 0.00 C ATOM 120 O GLU A 8 77.170 -0.169 -9.878 1.00 0.00 O ATOM 121 CB GLU A 8 77.047 -3.459 -10.282 1.00 0.00 C ATOM 122 CG GLU A 8 77.119 -4.572 -11.313 1.00 0.00 C ATOM 123 CD GLU A 8 76.644 -4.125 -12.678 1.00 0.00 C ATOM 124 OE1 GLU A 8 77.446 -3.542 -13.435 1.00 0.00 O ATOM 125 OE2 GLU A 8 75.461 -4.354 -13.003 1.00 0.00 O ATOM 0 H GLU A 8 79.477 -3.791 -10.266 1.00 0.00 H new ATOM 0 HA GLU A 8 77.856 -1.920 -11.552 1.00 0.00 H new ATOM 0 HB2 GLU A 8 77.251 -3.876 -9.296 1.00 0.00 H new ATOM 0 HB3 GLU A 8 76.032 -3.063 -10.258 1.00 0.00 H new ATOM 0 HG2 GLU A 8 78.146 -4.929 -11.388 1.00 0.00 H new ATOM 0 HG3 GLU A 8 76.513 -5.414 -10.978 1.00 0.00 H new ATOM 132 N PHE A 9 78.271 -1.370 -8.330 1.00 0.00 N ATOM 133 CA PHE A 9 78.112 -0.373 -7.276 1.00 0.00 C ATOM 134 C PHE A 9 78.897 0.896 -7.604 1.00 0.00 C ATOM 135 O PHE A 9 78.397 2.009 -7.440 1.00 0.00 O ATOM 136 CB PHE A 9 78.574 -0.954 -5.933 1.00 0.00 C ATOM 137 CG PHE A 9 78.533 0.027 -4.793 1.00 0.00 C ATOM 138 CD1 PHE A 9 77.323 0.415 -4.239 1.00 0.00 C ATOM 139 CD2 PHE A 9 79.703 0.565 -4.280 1.00 0.00 C ATOM 140 CE1 PHE A 9 77.282 1.318 -3.193 1.00 0.00 C ATOM 141 CE2 PHE A 9 79.668 1.469 -3.235 1.00 0.00 C ATOM 142 CZ PHE A 9 78.455 1.846 -2.691 1.00 0.00 C ATOM 0 H PHE A 9 78.784 -2.204 -8.045 1.00 0.00 H new ATOM 0 HA PHE A 9 77.057 -0.109 -7.206 1.00 0.00 H new ATOM 0 HB2 PHE A 9 77.947 -1.810 -5.684 1.00 0.00 H new ATOM 0 HB3 PHE A 9 79.593 -1.326 -6.041 1.00 0.00 H new ATOM 0 HD1 PHE A 9 76.402 0.007 -4.629 1.00 0.00 H new ATOM 0 HD2 PHE A 9 80.654 0.274 -4.702 1.00 0.00 H new ATOM 0 HE1 PHE A 9 76.333 1.610 -2.769 1.00 0.00 H new ATOM 0 HE2 PHE A 9 80.587 1.880 -2.844 1.00 0.00 H new ATOM 0 HZ PHE A 9 78.424 2.552 -1.875 1.00 0.00 H new ATOM 152 N LEU A 10 80.123 0.718 -8.080 1.00 0.00 N ATOM 153 CA LEU A 10 81.002 1.841 -8.384 1.00 0.00 C ATOM 154 C LEU A 10 80.467 2.666 -9.552 1.00 0.00 C ATOM 155 O LEU A 10 80.523 3.899 -9.529 1.00 0.00 O ATOM 156 CB LEU A 10 82.414 1.333 -8.683 1.00 0.00 C ATOM 157 CG LEU A 10 83.070 0.570 -7.531 1.00 0.00 C ATOM 158 CD1 LEU A 10 84.404 -0.007 -7.964 1.00 0.00 C ATOM 159 CD2 LEU A 10 83.249 1.475 -6.321 1.00 0.00 C ATOM 0 H LEU A 10 80.533 -0.198 -8.265 1.00 0.00 H new ATOM 0 HA LEU A 10 81.037 2.493 -7.511 1.00 0.00 H new ATOM 0 HB2 LEU A 10 82.375 0.683 -9.557 1.00 0.00 H new ATOM 0 HB3 LEU A 10 83.044 2.183 -8.945 1.00 0.00 H new ATOM 0 HG LEU A 10 82.414 -0.254 -7.250 1.00 0.00 H new ATOM 0 HD11 LEU A 10 84.855 -0.546 -7.131 1.00 0.00 H new ATOM 0 HD12 LEU A 10 84.251 -0.691 -8.798 1.00 0.00 H new ATOM 0 HD13 LEU A 10 85.066 0.801 -8.274 1.00 0.00 H new ATOM 0 HD21 LEU A 10 83.717 0.913 -5.513 1.00 0.00 H new ATOM 0 HD22 LEU A 10 83.882 2.321 -6.590 1.00 0.00 H new ATOM 0 HD23 LEU A 10 82.276 1.840 -5.993 1.00 0.00 H new ATOM 171 N GLU A 11 79.937 1.987 -10.562 1.00 0.00 N ATOM 172 CA GLU A 11 79.325 2.666 -11.695 1.00 0.00 C ATOM 173 C GLU A 11 78.053 3.383 -11.254 1.00 0.00 C ATOM 174 O GLU A 11 77.774 4.501 -11.688 1.00 0.00 O ATOM 175 CB GLU A 11 79.005 1.671 -12.811 1.00 0.00 C ATOM 176 CG GLU A 11 78.290 2.303 -13.994 1.00 0.00 C ATOM 177 CD GLU A 11 77.892 1.293 -15.045 1.00 0.00 C ATOM 178 OE1 GLU A 11 77.081 0.393 -14.732 1.00 0.00 O ATOM 179 OE2 GLU A 11 78.371 1.403 -16.192 1.00 0.00 O ATOM 0 H GLU A 11 79.919 0.969 -10.619 1.00 0.00 H new ATOM 0 HA GLU A 11 80.033 3.401 -12.078 1.00 0.00 H new ATOM 0 HB2 GLU A 11 79.932 1.214 -13.158 1.00 0.00 H new ATOM 0 HB3 GLU A 11 78.386 0.870 -12.407 1.00 0.00 H new ATOM 0 HG2 GLU A 11 77.399 2.822 -13.640 1.00 0.00 H new ATOM 0 HG3 GLU A 11 78.938 3.054 -14.445 1.00 0.00 H new ATOM 186 N ASP A 12 77.297 2.730 -10.378 1.00 0.00 N ATOM 187 CA ASP A 12 76.048 3.283 -9.865 1.00 0.00 C ATOM 188 C ASP A 12 76.280 4.625 -9.180 1.00 0.00 C ATOM 189 O ASP A 12 75.608 5.610 -9.485 1.00 0.00 O ATOM 190 CB ASP A 12 75.399 2.309 -8.879 1.00 0.00 C ATOM 191 CG ASP A 12 74.120 2.853 -8.278 1.00 0.00 C ATOM 192 OD1 ASP A 12 73.055 2.716 -8.915 1.00 0.00 O ATOM 193 OD2 ASP A 12 74.170 3.408 -7.158 1.00 0.00 O ATOM 0 H ASP A 12 77.530 1.809 -10.006 1.00 0.00 H new ATOM 0 HA ASP A 12 75.381 3.437 -10.713 1.00 0.00 H new ATOM 0 HB2 ASP A 12 75.185 1.370 -9.389 1.00 0.00 H new ATOM 0 HB3 ASP A 12 76.105 2.084 -8.079 1.00 0.00 H new ATOM 198 N ILE A 13 77.239 4.660 -8.262 1.00 0.00 N ATOM 199 CA ILE A 13 77.523 5.879 -7.516 1.00 0.00 C ATOM 200 C ILE A 13 78.213 6.921 -8.393 1.00 0.00 C ATOM 201 O ILE A 13 78.102 8.120 -8.144 1.00 0.00 O ATOM 202 CB ILE A 13 78.379 5.605 -6.258 1.00 0.00 C ATOM 203 CG1 ILE A 13 79.719 4.963 -6.633 1.00 0.00 C ATOM 204 CG2 ILE A 13 77.614 4.716 -5.290 1.00 0.00 C ATOM 205 CD1 ILE A 13 80.630 4.712 -5.451 1.00 0.00 C ATOM 0 H ILE A 13 77.829 3.864 -8.018 1.00 0.00 H new ATOM 0 HA ILE A 13 76.560 6.273 -7.192 1.00 0.00 H new ATOM 0 HB ILE A 13 78.589 6.558 -5.772 1.00 0.00 H new ATOM 0 HG12 ILE A 13 79.528 4.017 -7.140 1.00 0.00 H new ATOM 0 HG13 ILE A 13 80.233 5.608 -7.345 1.00 0.00 H new ATOM 0 HG21 ILE A 13 78.225 4.529 -4.407 1.00 0.00 H new ATOM 0 HG22 ILE A 13 76.690 5.212 -4.993 1.00 0.00 H new ATOM 0 HG23 ILE A 13 77.378 3.769 -5.775 1.00 0.00 H new ATOM 0 HD11 ILE A 13 81.558 4.256 -5.797 1.00 0.00 H new ATOM 0 HD12 ILE A 13 80.853 5.657 -4.956 1.00 0.00 H new ATOM 0 HD13 ILE A 13 80.137 4.041 -4.747 1.00 0.00 H new ATOM 217 N GLY A 14 78.916 6.462 -9.422 1.00 0.00 N ATOM 218 CA GLY A 14 79.565 7.377 -10.341 1.00 0.00 C ATOM 219 C GLY A 14 80.980 7.722 -9.922 1.00 0.00 C ATOM 220 O GLY A 14 81.383 8.886 -9.968 1.00 0.00 O ATOM 0 H GLY A 14 79.048 5.473 -9.636 1.00 0.00 H new ATOM 0 HA2 GLY A 14 79.583 6.933 -11.336 1.00 0.00 H new ATOM 0 HA3 GLY A 14 78.978 8.293 -10.411 1.00 0.00 H new ATOM 224 N GLU A 15 81.733 6.713 -9.513 1.00 0.00 N ATOM 225 CA GLU A 15 83.120 6.911 -9.117 1.00 0.00 C ATOM 226 C GLU A 15 84.047 6.030 -9.938 1.00 0.00 C ATOM 227 O GLU A 15 83.668 4.940 -10.372 1.00 0.00 O ATOM 228 CB GLU A 15 83.306 6.631 -7.624 1.00 0.00 C ATOM 229 CG GLU A 15 83.281 7.888 -6.766 1.00 0.00 C ATOM 230 CD GLU A 15 84.559 8.704 -6.883 1.00 0.00 C ATOM 231 OE1 GLU A 15 85.117 8.805 -7.998 1.00 0.00 O ATOM 232 OE2 GLU A 15 85.023 9.238 -5.851 1.00 0.00 O ATOM 0 H GLU A 15 81.408 5.749 -9.446 1.00 0.00 H new ATOM 0 HA GLU A 15 83.376 7.953 -9.306 1.00 0.00 H new ATOM 0 HB2 GLU A 15 82.520 5.955 -7.288 1.00 0.00 H new ATOM 0 HB3 GLU A 15 84.255 6.116 -7.474 1.00 0.00 H new ATOM 0 HG2 GLU A 15 82.432 8.506 -7.059 1.00 0.00 H new ATOM 0 HG3 GLU A 15 83.127 7.609 -5.724 1.00 0.00 H new ATOM 239 N ASP A 16 85.261 6.511 -10.147 1.00 0.00 N ATOM 240 CA ASP A 16 86.241 5.798 -10.953 1.00 0.00 C ATOM 241 C ASP A 16 87.128 4.940 -10.067 1.00 0.00 C ATOM 242 O ASP A 16 87.636 5.403 -9.043 1.00 0.00 O ATOM 243 CB ASP A 16 87.105 6.776 -11.756 1.00 0.00 C ATOM 244 CG ASP A 16 86.305 7.583 -12.759 1.00 0.00 C ATOM 245 OD1 ASP A 16 86.028 7.066 -13.860 1.00 0.00 O ATOM 246 OD2 ASP A 16 85.961 8.746 -12.452 1.00 0.00 O ATOM 0 H ASP A 16 85.594 7.397 -9.768 1.00 0.00 H new ATOM 0 HA ASP A 16 85.701 5.157 -11.650 1.00 0.00 H new ATOM 0 HB2 ASP A 16 87.609 7.456 -11.069 1.00 0.00 H new ATOM 0 HB3 ASP A 16 87.882 6.220 -12.281 1.00 0.00 H new ATOM 251 N TYR A 17 87.304 3.688 -10.455 1.00 0.00 N ATOM 252 CA TYR A 17 88.146 2.773 -9.705 1.00 0.00 C ATOM 253 C TYR A 17 89.346 2.366 -10.541 1.00 0.00 C ATOM 254 O TYR A 17 89.213 2.084 -11.733 1.00 0.00 O ATOM 255 CB TYR A 17 87.351 1.538 -9.265 1.00 0.00 C ATOM 256 CG TYR A 17 86.885 0.634 -10.392 1.00 0.00 C ATOM 257 CD1 TYR A 17 85.794 0.973 -11.186 1.00 0.00 C ATOM 258 CD2 TYR A 17 87.532 -0.568 -10.649 1.00 0.00 C ATOM 259 CE1 TYR A 17 85.364 0.139 -12.202 1.00 0.00 C ATOM 260 CE2 TYR A 17 87.108 -1.407 -11.660 1.00 0.00 C ATOM 261 CZ TYR A 17 86.025 -1.050 -12.434 1.00 0.00 C ATOM 262 OH TYR A 17 85.598 -1.889 -13.440 1.00 0.00 O ATOM 0 H TYR A 17 86.874 3.282 -11.286 1.00 0.00 H new ATOM 0 HA TYR A 17 88.500 3.282 -8.809 1.00 0.00 H new ATOM 0 HB2 TYR A 17 87.968 0.953 -8.583 1.00 0.00 H new ATOM 0 HB3 TYR A 17 86.478 1.869 -8.702 1.00 0.00 H new ATOM 0 HD1 TYR A 17 85.274 1.903 -11.006 1.00 0.00 H new ATOM 0 HD2 TYR A 17 88.382 -0.851 -10.047 1.00 0.00 H new ATOM 0 HE1 TYR A 17 84.516 0.417 -12.810 1.00 0.00 H new ATOM 0 HE2 TYR A 17 87.623 -2.339 -11.844 1.00 0.00 H new ATOM 0 HH TYR A 17 85.192 -1.359 -14.157 1.00 0.00 H new ATOM 272 N ILE A 18 90.516 2.351 -9.927 1.00 0.00 N ATOM 273 CA ILE A 18 91.730 1.994 -10.635 1.00 0.00 C ATOM 274 C ILE A 18 91.934 0.489 -10.596 1.00 0.00 C ATOM 275 O ILE A 18 92.422 -0.058 -9.603 1.00 0.00 O ATOM 276 CB ILE A 18 92.968 2.693 -10.038 1.00 0.00 C ATOM 277 CG1 ILE A 18 92.745 4.207 -9.968 1.00 0.00 C ATOM 278 CG2 ILE A 18 94.202 2.370 -10.872 1.00 0.00 C ATOM 279 CD1 ILE A 18 93.862 4.955 -9.272 1.00 0.00 C ATOM 0 H ILE A 18 90.650 2.581 -8.942 1.00 0.00 H new ATOM 0 HA ILE A 18 91.616 2.327 -11.667 1.00 0.00 H new ATOM 0 HB ILE A 18 93.126 2.325 -9.024 1.00 0.00 H new ATOM 0 HG12 ILE A 18 92.635 4.596 -10.980 1.00 0.00 H new ATOM 0 HG13 ILE A 18 91.808 4.404 -9.447 1.00 0.00 H new ATOM 0 HG21 ILE A 18 95.072 2.868 -10.443 1.00 0.00 H new ATOM 0 HG22 ILE A 18 94.366 1.292 -10.876 1.00 0.00 H new ATOM 0 HG23 ILE A 18 94.052 2.718 -11.894 1.00 0.00 H new ATOM 0 HD11 ILE A 18 93.634 6.021 -9.261 1.00 0.00 H new ATOM 0 HD12 ILE A 18 93.959 4.594 -8.248 1.00 0.00 H new ATOM 0 HD13 ILE A 18 94.798 4.790 -9.805 1.00 0.00 H new ATOM 291 N GLU A 19 91.536 -0.183 -11.661 1.00 0.00 N ATOM 292 CA GLU A 19 91.666 -1.623 -11.728 1.00 0.00 C ATOM 293 C GLU A 19 92.998 -2.008 -12.353 1.00 0.00 C ATOM 294 O GLU A 19 93.212 -1.847 -13.554 1.00 0.00 O ATOM 295 CB GLU A 19 90.508 -2.246 -12.509 1.00 0.00 C ATOM 296 CG GLU A 19 90.567 -3.763 -12.563 1.00 0.00 C ATOM 297 CD GLU A 19 89.331 -4.375 -13.179 1.00 0.00 C ATOM 298 OE1 GLU A 19 89.177 -4.311 -14.416 1.00 0.00 O ATOM 299 OE2 GLU A 19 88.500 -4.928 -12.428 1.00 0.00 O ATOM 0 H GLU A 19 91.121 0.246 -12.488 1.00 0.00 H new ATOM 0 HA GLU A 19 91.632 -2.012 -10.710 1.00 0.00 H new ATOM 0 HB2 GLU A 19 89.566 -1.942 -12.053 1.00 0.00 H new ATOM 0 HB3 GLU A 19 90.511 -1.853 -13.526 1.00 0.00 H new ATOM 0 HG2 GLU A 19 91.442 -4.068 -13.137 1.00 0.00 H new ATOM 0 HG3 GLU A 19 90.696 -4.153 -11.553 1.00 0.00 H new ATOM 306 N LEU A 20 93.896 -2.485 -11.513 1.00 0.00 N ATOM 307 CA LEU A 20 95.178 -2.999 -11.955 1.00 0.00 C ATOM 308 C LEU A 20 95.064 -4.505 -12.144 1.00 0.00 C ATOM 309 O LEU A 20 93.959 -5.046 -12.186 1.00 0.00 O ATOM 310 CB LEU A 20 96.264 -2.678 -10.920 1.00 0.00 C ATOM 311 CG LEU A 20 96.457 -1.193 -10.608 1.00 0.00 C ATOM 312 CD1 LEU A 20 97.516 -1.008 -9.532 1.00 0.00 C ATOM 313 CD2 LEU A 20 96.837 -0.426 -11.864 1.00 0.00 C ATOM 0 H LEU A 20 93.757 -2.527 -10.503 1.00 0.00 H new ATOM 0 HA LEU A 20 95.455 -2.529 -12.899 1.00 0.00 H new ATOM 0 HB2 LEU A 20 96.023 -3.198 -9.993 1.00 0.00 H new ATOM 0 HB3 LEU A 20 97.211 -3.083 -11.276 1.00 0.00 H new ATOM 0 HG LEU A 20 95.512 -0.796 -10.236 1.00 0.00 H new ATOM 0 HD11 LEU A 20 97.640 0.054 -9.323 1.00 0.00 H new ATOM 0 HD12 LEU A 20 97.205 -1.523 -8.623 1.00 0.00 H new ATOM 0 HD13 LEU A 20 98.463 -1.423 -9.878 1.00 0.00 H new ATOM 0 HD21 LEU A 20 96.970 0.628 -11.620 1.00 0.00 H new ATOM 0 HD22 LEU A 20 97.768 -0.825 -12.267 1.00 0.00 H new ATOM 0 HD23 LEU A 20 96.046 -0.530 -12.607 1.00 0.00 H new ATOM 325 N GLU A 21 96.194 -5.182 -12.243 1.00 0.00 N ATOM 326 CA GLU A 21 96.196 -6.628 -12.416 1.00 0.00 C ATOM 327 C GLU A 21 95.718 -7.321 -11.140 1.00 0.00 C ATOM 328 O GLU A 21 96.506 -7.567 -10.227 1.00 0.00 O ATOM 329 CB GLU A 21 97.596 -7.101 -12.800 1.00 0.00 C ATOM 330 CG GLU A 21 98.150 -6.394 -14.025 1.00 0.00 C ATOM 331 CD GLU A 21 99.611 -6.697 -14.267 1.00 0.00 C ATOM 332 OE1 GLU A 21 100.447 -6.332 -13.418 1.00 0.00 O ATOM 333 OE2 GLU A 21 99.930 -7.306 -15.308 1.00 0.00 O ATOM 0 H GLU A 21 97.121 -4.758 -12.207 1.00 0.00 H new ATOM 0 HA GLU A 21 95.507 -6.891 -13.219 1.00 0.00 H new ATOM 0 HB2 GLU A 21 98.271 -6.940 -11.959 1.00 0.00 H new ATOM 0 HB3 GLU A 21 97.571 -8.174 -12.988 1.00 0.00 H new ATOM 0 HG2 GLU A 21 97.573 -6.689 -14.901 1.00 0.00 H new ATOM 0 HG3 GLU A 21 98.022 -5.318 -13.907 1.00 0.00 H new ATOM 340 N ASN A 22 94.410 -7.589 -11.080 1.00 0.00 N ATOM 341 CA ASN A 22 93.779 -8.250 -9.928 1.00 0.00 C ATOM 342 C ASN A 22 93.761 -7.346 -8.702 1.00 0.00 C ATOM 343 O ASN A 22 93.568 -7.816 -7.581 1.00 0.00 O ATOM 344 CB ASN A 22 94.472 -9.576 -9.601 1.00 0.00 C ATOM 345 CG ASN A 22 94.056 -10.692 -10.533 1.00 0.00 C ATOM 346 OD1 ASN A 22 94.635 -10.873 -11.605 1.00 0.00 O ATOM 347 ND2 ASN A 22 93.062 -11.462 -10.121 1.00 0.00 N ATOM 0 H ASN A 22 93.757 -7.355 -11.828 1.00 0.00 H new ATOM 0 HA ASN A 22 92.746 -8.460 -10.207 1.00 0.00 H new ATOM 0 HB2 ASN A 22 95.552 -9.442 -9.659 1.00 0.00 H new ATOM 0 HB3 ASN A 22 94.241 -9.859 -8.574 1.00 0.00 H new ATOM 0 HD21 ASN A 22 92.747 -12.241 -10.699 1.00 0.00 H new ATOM 0 HD22 ASN A 22 92.610 -11.276 -9.226 1.00 0.00 H new ATOM 354 N GLU A 23 93.932 -6.050 -8.918 1.00 0.00 N ATOM 355 CA GLU A 23 93.911 -5.084 -7.830 1.00 0.00 C ATOM 356 C GLU A 23 92.979 -3.925 -8.150 1.00 0.00 C ATOM 357 O GLU A 23 93.251 -3.144 -9.053 1.00 0.00 O ATOM 358 CB GLU A 23 95.308 -4.516 -7.572 1.00 0.00 C ATOM 359 CG GLU A 23 96.276 -5.481 -6.918 1.00 0.00 C ATOM 360 CD GLU A 23 97.579 -4.801 -6.555 1.00 0.00 C ATOM 361 OE1 GLU A 23 97.575 -3.953 -5.636 1.00 0.00 O ATOM 362 OE2 GLU A 23 98.610 -5.092 -7.194 1.00 0.00 O ATOM 0 H GLU A 23 94.087 -5.642 -9.840 1.00 0.00 H new ATOM 0 HA GLU A 23 93.557 -5.611 -6.944 1.00 0.00 H new ATOM 0 HB2 GLU A 23 95.731 -4.186 -8.521 1.00 0.00 H new ATOM 0 HB3 GLU A 23 95.215 -3.633 -6.940 1.00 0.00 H new ATOM 0 HG2 GLU A 23 95.822 -5.901 -6.021 1.00 0.00 H new ATOM 0 HG3 GLU A 23 96.475 -6.313 -7.594 1.00 0.00 H new ATOM 369 N ILE A 24 91.899 -3.801 -7.405 1.00 0.00 N ATOM 370 CA ILE A 24 91.021 -2.650 -7.554 1.00 0.00 C ATOM 371 C ILE A 24 91.384 -1.601 -6.517 1.00 0.00 C ATOM 372 O ILE A 24 91.067 -1.742 -5.340 1.00 0.00 O ATOM 373 CB ILE A 24 89.528 -3.026 -7.424 1.00 0.00 C ATOM 374 CG1 ILE A 24 89.101 -3.941 -8.576 1.00 0.00 C ATOM 375 CG2 ILE A 24 88.660 -1.772 -7.396 1.00 0.00 C ATOM 376 CD1 ILE A 24 87.642 -4.340 -8.531 1.00 0.00 C ATOM 0 H ILE A 24 91.607 -4.474 -6.696 1.00 0.00 H new ATOM 0 HA ILE A 24 91.164 -2.253 -8.559 1.00 0.00 H new ATOM 0 HB ILE A 24 89.392 -3.563 -6.485 1.00 0.00 H new ATOM 0 HG12 ILE A 24 89.301 -3.437 -9.521 1.00 0.00 H new ATOM 0 HG13 ILE A 24 89.715 -4.842 -8.559 1.00 0.00 H new ATOM 0 HG21 ILE A 24 87.612 -2.057 -7.304 1.00 0.00 H new ATOM 0 HG22 ILE A 24 88.943 -1.152 -6.545 1.00 0.00 H new ATOM 0 HG23 ILE A 24 88.803 -1.210 -8.319 1.00 0.00 H new ATOM 0 HD11 ILE A 24 87.415 -4.987 -9.378 1.00 0.00 H new ATOM 0 HD12 ILE A 24 87.439 -4.874 -7.602 1.00 0.00 H new ATOM 0 HD13 ILE A 24 87.019 -3.447 -8.580 1.00 0.00 H new ATOM 388 N HIS A 25 92.085 -0.569 -6.946 1.00 0.00 N ATOM 389 CA HIS A 25 92.506 0.486 -6.039 1.00 0.00 C ATOM 390 C HIS A 25 91.451 1.577 -5.988 1.00 0.00 C ATOM 391 O HIS A 25 91.139 2.208 -7.002 1.00 0.00 O ATOM 392 CB HIS A 25 93.866 1.059 -6.455 1.00 0.00 C ATOM 393 CG HIS A 25 95.021 0.134 -6.187 1.00 0.00 C ATOM 394 ND1 HIS A 25 96.164 0.526 -5.522 1.00 0.00 N ATOM 395 CD2 HIS A 25 95.209 -1.170 -6.506 1.00 0.00 C ATOM 396 CE1 HIS A 25 97.000 -0.491 -5.444 1.00 0.00 C ATOM 397 NE2 HIS A 25 96.446 -1.532 -6.031 1.00 0.00 N ATOM 0 H HIS A 25 92.375 -0.437 -7.915 1.00 0.00 H new ATOM 0 HA HIS A 25 92.619 0.062 -5.041 1.00 0.00 H new ATOM 0 HB2 HIS A 25 93.841 1.295 -7.519 1.00 0.00 H new ATOM 0 HB3 HIS A 25 94.033 1.997 -5.925 1.00 0.00 H new ATOM 0 HD2 HIS A 25 94.515 -1.806 -7.035 1.00 0.00 H new ATOM 0 HE1 HIS A 25 97.974 -0.473 -4.978 1.00 0.00 H new ATOM 0 HE2 HIS A 25 96.867 -2.457 -6.119 1.00 0.00 H new ATOM 406 N LEU A 26 90.887 1.776 -4.808 1.00 0.00 N ATOM 407 CA LEU A 26 89.807 2.730 -4.624 1.00 0.00 C ATOM 408 C LEU A 26 90.274 3.963 -3.873 1.00 0.00 C ATOM 409 O LEU A 26 91.379 4.005 -3.326 1.00 0.00 O ATOM 410 CB LEU A 26 88.645 2.093 -3.854 1.00 0.00 C ATOM 411 CG LEU A 26 87.844 1.036 -4.614 1.00 0.00 C ATOM 412 CD1 LEU A 26 86.749 0.461 -3.729 1.00 0.00 C ATOM 413 CD2 LEU A 26 87.242 1.635 -5.875 1.00 0.00 C ATOM 0 H LEU A 26 91.162 1.285 -3.957 1.00 0.00 H new ATOM 0 HA LEU A 26 89.472 3.027 -5.618 1.00 0.00 H new ATOM 0 HB2 LEU A 26 89.041 1.638 -2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 26 87.963 2.884 -3.543 1.00 0.00 H new ATOM 0 HG LEU A 26 88.519 0.229 -4.899 1.00 0.00 H new ATOM 0 HD11 LEU A 26 86.188 -0.290 -4.285 1.00 0.00 H new ATOM 0 HD12 LEU A 26 87.197 0.001 -2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 26 86.076 1.260 -3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 26 86.675 0.871 -6.406 1.00 0.00 H new ATOM 0 HD22 LEU A 26 86.580 2.458 -5.607 1.00 0.00 H new ATOM 0 HD23 LEU A 26 88.040 2.007 -6.518 1.00 0.00 H new ATOM 425 N LYS A 27 89.418 4.970 -3.865 1.00 0.00 N ATOM 426 CA LYS A 27 89.627 6.153 -3.058 1.00 0.00 C ATOM 427 C LYS A 27 89.145 5.860 -1.643 1.00 0.00 C ATOM 428 O LYS A 27 88.129 5.188 -1.473 1.00 0.00 O ATOM 429 CB LYS A 27 88.859 7.334 -3.655 1.00 0.00 C ATOM 430 CG LYS A 27 89.181 7.583 -5.119 1.00 0.00 C ATOM 431 CD LYS A 27 88.287 8.657 -5.714 1.00 0.00 C ATOM 432 CE LYS A 27 88.545 8.830 -7.201 1.00 0.00 C ATOM 433 NZ LYS A 27 87.643 9.841 -7.811 1.00 0.00 N ATOM 0 H LYS A 27 88.561 4.988 -4.418 1.00 0.00 H new ATOM 0 HA LYS A 27 90.685 6.414 -3.037 1.00 0.00 H new ATOM 0 HB2 LYS A 27 87.789 7.152 -3.551 1.00 0.00 H new ATOM 0 HB3 LYS A 27 89.087 8.233 -3.082 1.00 0.00 H new ATOM 0 HG2 LYS A 27 90.225 7.882 -5.217 1.00 0.00 H new ATOM 0 HG3 LYS A 27 89.061 6.657 -5.681 1.00 0.00 H new ATOM 0 HD2 LYS A 27 87.242 8.393 -5.553 1.00 0.00 H new ATOM 0 HD3 LYS A 27 88.460 9.603 -5.200 1.00 0.00 H new ATOM 0 HE2 LYS A 27 89.582 9.129 -7.356 1.00 0.00 H new ATOM 0 HE3 LYS A 27 88.410 7.873 -7.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 88.143 10.334 -8.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 86.800 9.368 -8.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 87.354 10.530 -7.088 1.00 0.00 H new ATOM 447 N PRO A 28 89.870 6.333 -0.618 1.00 0.00 N ATOM 448 CA PRO A 28 89.547 6.061 0.788 1.00 0.00 C ATOM 449 C PRO A 28 88.065 6.273 1.122 1.00 0.00 C ATOM 450 O PRO A 28 87.457 5.447 1.807 1.00 0.00 O ATOM 451 CB PRO A 28 90.433 7.044 1.571 1.00 0.00 C ATOM 452 CG PRO A 28 91.090 7.919 0.552 1.00 0.00 C ATOM 453 CD PRO A 28 91.078 7.154 -0.739 1.00 0.00 C ATOM 0 HA PRO A 28 89.731 5.016 1.038 1.00 0.00 H new ATOM 0 HB2 PRO A 28 89.837 7.636 2.266 1.00 0.00 H new ATOM 0 HB3 PRO A 28 91.177 6.511 2.163 1.00 0.00 H new ATOM 0 HG2 PRO A 28 90.555 8.863 0.448 1.00 0.00 H new ATOM 0 HG3 PRO A 28 92.110 8.162 0.849 1.00 0.00 H new ATOM 0 HD2 PRO A 28 91.031 7.818 -1.602 1.00 0.00 H new ATOM 0 HD3 PRO A 28 91.973 6.543 -0.855 1.00 0.00 H new ATOM 461 N GLU A 29 87.484 7.364 0.626 1.00 0.00 N ATOM 462 CA GLU A 29 86.069 7.660 0.864 1.00 0.00 C ATOM 463 C GLU A 29 85.171 6.563 0.292 1.00 0.00 C ATOM 464 O GLU A 29 84.196 6.149 0.921 1.00 0.00 O ATOM 465 CB GLU A 29 85.691 9.012 0.249 1.00 0.00 C ATOM 466 CG GLU A 29 86.271 10.213 0.985 1.00 0.00 C ATOM 467 CD GLU A 29 85.546 10.528 2.285 1.00 0.00 C ATOM 468 OE1 GLU A 29 84.787 9.670 2.781 1.00 0.00 O ATOM 469 OE2 GLU A 29 85.730 11.646 2.818 1.00 0.00 O ATOM 0 H GLU A 29 87.969 8.058 0.057 1.00 0.00 H new ATOM 0 HA GLU A 29 85.917 7.703 1.943 1.00 0.00 H new ATOM 0 HB2 GLU A 29 86.030 9.036 -0.787 1.00 0.00 H new ATOM 0 HB3 GLU A 29 84.605 9.100 0.231 1.00 0.00 H new ATOM 0 HG2 GLU A 29 87.323 10.026 1.200 1.00 0.00 H new ATOM 0 HG3 GLU A 29 86.229 11.085 0.333 1.00 0.00 H new ATOM 476 N VAL A 30 85.518 6.084 -0.897 1.00 0.00 N ATOM 477 CA VAL A 30 84.733 5.058 -1.575 1.00 0.00 C ATOM 478 C VAL A 30 84.931 3.696 -0.913 1.00 0.00 C ATOM 479 O VAL A 30 83.993 2.909 -0.789 1.00 0.00 O ATOM 480 CB VAL A 30 85.114 4.959 -3.070 1.00 0.00 C ATOM 481 CG1 VAL A 30 84.245 3.939 -3.789 1.00 0.00 C ATOM 482 CG2 VAL A 30 85.008 6.320 -3.742 1.00 0.00 C ATOM 0 H VAL A 30 86.342 6.391 -1.414 1.00 0.00 H new ATOM 0 HA VAL A 30 83.685 5.348 -1.496 1.00 0.00 H new ATOM 0 HB VAL A 30 86.149 4.623 -3.131 1.00 0.00 H new ATOM 0 HG11 VAL A 30 84.535 3.890 -4.839 1.00 0.00 H new ATOM 0 HG12 VAL A 30 84.378 2.959 -3.330 1.00 0.00 H new ATOM 0 HG13 VAL A 30 83.199 4.236 -3.715 1.00 0.00 H new ATOM 0 HG21 VAL A 30 85.280 6.229 -4.794 1.00 0.00 H new ATOM 0 HG22 VAL A 30 83.984 6.686 -3.663 1.00 0.00 H new ATOM 0 HG23 VAL A 30 85.683 7.021 -3.252 1.00 0.00 H new ATOM 492 N PHE A 31 86.159 3.432 -0.483 1.00 0.00 N ATOM 493 CA PHE A 31 86.495 2.175 0.178 1.00 0.00 C ATOM 494 C PHE A 31 85.678 2.004 1.455 1.00 0.00 C ATOM 495 O PHE A 31 85.195 0.910 1.753 1.00 0.00 O ATOM 496 CB PHE A 31 87.990 2.139 0.495 1.00 0.00 C ATOM 497 CG PHE A 31 88.465 0.843 1.091 1.00 0.00 C ATOM 498 CD1 PHE A 31 88.685 -0.265 0.290 1.00 0.00 C ATOM 499 CD2 PHE A 31 88.713 0.740 2.450 1.00 0.00 C ATOM 500 CE1 PHE A 31 89.142 -1.449 0.833 1.00 0.00 C ATOM 501 CE2 PHE A 31 89.166 -0.442 2.999 1.00 0.00 C ATOM 502 CZ PHE A 31 89.382 -1.539 2.188 1.00 0.00 C ATOM 0 H PHE A 31 86.944 4.076 -0.581 1.00 0.00 H new ATOM 0 HA PHE A 31 86.254 1.351 -0.494 1.00 0.00 H new ATOM 0 HB2 PHE A 31 88.548 2.330 -0.421 1.00 0.00 H new ATOM 0 HB3 PHE A 31 88.223 2.950 1.185 1.00 0.00 H new ATOM 0 HD1 PHE A 31 88.497 -0.202 -0.772 1.00 0.00 H new ATOM 0 HD2 PHE A 31 88.550 1.596 3.088 1.00 0.00 H new ATOM 0 HE1 PHE A 31 89.312 -2.305 0.197 1.00 0.00 H new ATOM 0 HE2 PHE A 31 89.351 -0.509 4.061 1.00 0.00 H new ATOM 0 HZ PHE A 31 89.738 -2.465 2.614 1.00 0.00 H new ATOM 512 N TYR A 32 85.517 3.096 2.193 1.00 0.00 N ATOM 513 CA TYR A 32 84.742 3.091 3.427 1.00 0.00 C ATOM 514 C TYR A 32 83.292 2.686 3.150 1.00 0.00 C ATOM 515 O TYR A 32 82.686 1.935 3.920 1.00 0.00 O ATOM 516 CB TYR A 32 84.801 4.476 4.078 1.00 0.00 C ATOM 517 CG TYR A 32 84.080 4.566 5.402 1.00 0.00 C ATOM 518 CD1 TYR A 32 84.666 4.090 6.569 1.00 0.00 C ATOM 519 CD2 TYR A 32 82.818 5.135 5.487 1.00 0.00 C ATOM 520 CE1 TYR A 32 84.009 4.179 7.782 1.00 0.00 C ATOM 521 CE2 TYR A 32 82.157 5.226 6.694 1.00 0.00 C ATOM 522 CZ TYR A 32 82.756 4.748 7.838 1.00 0.00 C ATOM 523 OH TYR A 32 82.097 4.843 9.043 1.00 0.00 O ATOM 0 H TYR A 32 85.917 4.004 1.955 1.00 0.00 H new ATOM 0 HA TYR A 32 85.171 2.360 4.112 1.00 0.00 H new ATOM 0 HB2 TYR A 32 85.845 4.752 4.225 1.00 0.00 H new ATOM 0 HB3 TYR A 32 84.372 5.207 3.392 1.00 0.00 H new ATOM 0 HD1 TYR A 32 85.649 3.644 6.528 1.00 0.00 H new ATOM 0 HD2 TYR A 32 82.345 5.513 4.593 1.00 0.00 H new ATOM 0 HE1 TYR A 32 84.476 3.804 8.681 1.00 0.00 H new ATOM 0 HE2 TYR A 32 81.174 5.670 6.742 1.00 0.00 H new ATOM 0 HH TYR A 32 82.751 4.929 9.768 1.00 0.00 H new ATOM 533 N GLU A 33 82.754 3.177 2.038 1.00 0.00 N ATOM 534 CA GLU A 33 81.400 2.828 1.614 1.00 0.00 C ATOM 535 C GLU A 33 81.269 1.324 1.401 1.00 0.00 C ATOM 536 O GLU A 33 80.365 0.688 1.938 1.00 0.00 O ATOM 537 CB GLU A 33 81.043 3.560 0.319 1.00 0.00 C ATOM 538 CG GLU A 33 80.778 5.043 0.498 1.00 0.00 C ATOM 539 CD GLU A 33 79.482 5.312 1.232 1.00 0.00 C ATOM 540 OE1 GLU A 33 78.404 5.090 0.638 1.00 0.00 O ATOM 541 OE2 GLU A 33 79.528 5.760 2.396 1.00 0.00 O ATOM 0 H GLU A 33 83.237 3.821 1.411 1.00 0.00 H new ATOM 0 HA GLU A 33 80.712 3.133 2.402 1.00 0.00 H new ATOM 0 HB2 GLU A 33 81.857 3.431 -0.395 1.00 0.00 H new ATOM 0 HB3 GLU A 33 80.159 3.094 -0.117 1.00 0.00 H new ATOM 0 HG2 GLU A 33 81.604 5.493 1.048 1.00 0.00 H new ATOM 0 HG3 GLU A 33 80.746 5.524 -0.479 1.00 0.00 H new ATOM 548 N VAL A 34 82.193 0.762 0.628 1.00 0.00 N ATOM 549 CA VAL A 34 82.158 -0.658 0.290 1.00 0.00 C ATOM 550 C VAL A 34 82.370 -1.523 1.534 1.00 0.00 C ATOM 551 O VAL A 34 81.700 -2.548 1.717 1.00 0.00 O ATOM 552 CB VAL A 34 83.226 -1.007 -0.770 1.00 0.00 C ATOM 553 CG1 VAL A 34 83.110 -2.462 -1.197 1.00 0.00 C ATOM 554 CG2 VAL A 34 83.104 -0.087 -1.976 1.00 0.00 C ATOM 0 H VAL A 34 82.979 1.270 0.222 1.00 0.00 H new ATOM 0 HA VAL A 34 81.172 -0.867 -0.124 1.00 0.00 H new ATOM 0 HB VAL A 34 84.209 -0.861 -0.321 1.00 0.00 H new ATOM 0 HG11 VAL A 34 83.872 -2.684 -1.944 1.00 0.00 H new ATOM 0 HG12 VAL A 34 83.252 -3.108 -0.331 1.00 0.00 H new ATOM 0 HG13 VAL A 34 82.122 -2.638 -1.623 1.00 0.00 H new ATOM 0 HG21 VAL A 34 83.865 -0.348 -2.712 1.00 0.00 H new ATOM 0 HG22 VAL A 34 82.115 -0.199 -2.421 1.00 0.00 H new ATOM 0 HG23 VAL A 34 83.244 0.947 -1.661 1.00 0.00 H new ATOM 564 N TRP A 35 83.285 -1.093 2.396 1.00 0.00 N ATOM 565 CA TRP A 35 83.593 -1.821 3.621 1.00 0.00 C ATOM 566 C TRP A 35 82.335 -2.006 4.471 1.00 0.00 C ATOM 567 O TRP A 35 82.062 -3.099 4.969 1.00 0.00 O ATOM 568 CB TRP A 35 84.673 -1.082 4.422 1.00 0.00 C ATOM 569 CG TRP A 35 85.096 -1.799 5.669 1.00 0.00 C ATOM 570 CD1 TRP A 35 85.699 -3.020 5.744 1.00 0.00 C ATOM 571 CD2 TRP A 35 84.964 -1.333 7.016 1.00 0.00 C ATOM 572 NE1 TRP A 35 85.931 -3.354 7.056 1.00 0.00 N ATOM 573 CE2 TRP A 35 85.495 -2.331 7.856 1.00 0.00 C ATOM 574 CE3 TRP A 35 84.445 -0.172 7.597 1.00 0.00 C ATOM 575 CZ2 TRP A 35 85.520 -2.203 9.241 1.00 0.00 C ATOM 576 CZ3 TRP A 35 84.472 -0.045 8.973 1.00 0.00 C ATOM 577 CH2 TRP A 35 85.008 -1.056 9.782 1.00 0.00 C ATOM 0 H TRP A 35 83.829 -0.240 2.268 1.00 0.00 H new ATOM 0 HA TRP A 35 83.971 -2.806 3.349 1.00 0.00 H new ATOM 0 HB2 TRP A 35 85.546 -0.932 3.786 1.00 0.00 H new ATOM 0 HB3 TRP A 35 84.301 -0.093 4.691 1.00 0.00 H new ATOM 0 HD1 TRP A 35 85.957 -3.635 4.895 1.00 0.00 H new ATOM 0 HE1 TRP A 35 86.358 -4.221 7.381 1.00 0.00 H new ATOM 0 HE3 TRP A 35 84.030 0.612 6.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 85.929 -2.982 9.867 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 84.074 0.848 9.432 1.00 0.00 H new ATOM 0 HH2 TRP A 35 85.017 -0.927 10.854 1.00 0.00 H new ATOM 588 N LYS A 36 81.550 -0.944 4.608 1.00 0.00 N ATOM 589 CA LYS A 36 80.327 -1.007 5.398 1.00 0.00 C ATOM 590 C LYS A 36 79.139 -1.432 4.539 1.00 0.00 C ATOM 591 O LYS A 36 78.004 -1.484 5.012 1.00 0.00 O ATOM 592 CB LYS A 36 80.042 0.341 6.061 1.00 0.00 C ATOM 593 CG LYS A 36 81.096 0.752 7.077 1.00 0.00 C ATOM 594 CD LYS A 36 80.687 2.006 7.829 1.00 0.00 C ATOM 595 CE LYS A 36 79.406 1.790 8.616 1.00 0.00 C ATOM 596 NZ LYS A 36 78.957 3.025 9.305 1.00 0.00 N ATOM 0 H LYS A 36 81.737 -0.035 4.185 1.00 0.00 H new ATOM 0 HA LYS A 36 80.472 -1.756 6.176 1.00 0.00 H new ATOM 0 HB2 LYS A 36 79.973 1.109 5.290 1.00 0.00 H new ATOM 0 HB3 LYS A 36 79.071 0.296 6.554 1.00 0.00 H new ATOM 0 HG2 LYS A 36 81.257 -0.061 7.785 1.00 0.00 H new ATOM 0 HG3 LYS A 36 82.045 0.925 6.569 1.00 0.00 H new ATOM 0 HD2 LYS A 36 81.487 2.302 8.508 1.00 0.00 H new ATOM 0 HD3 LYS A 36 80.548 2.825 7.124 1.00 0.00 H new ATOM 0 HE2 LYS A 36 78.621 1.446 7.942 1.00 0.00 H new ATOM 0 HE3 LYS A 36 79.562 1.002 9.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 78.080 2.831 9.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 79.694 3.340 9.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 78.782 3.771 8.602 1.00 0.00 H new ATOM 610 N TYR A 37 79.407 -1.741 3.280 1.00 0.00 N ATOM 611 CA TYR A 37 78.367 -2.201 2.368 1.00 0.00 C ATOM 612 C TYR A 37 78.154 -3.698 2.553 1.00 0.00 C ATOM 613 O TYR A 37 77.027 -4.187 2.520 1.00 0.00 O ATOM 614 CB TYR A 37 78.759 -1.888 0.920 1.00 0.00 C ATOM 615 CG TYR A 37 77.629 -2.008 -0.076 1.00 0.00 C ATOM 616 CD1 TYR A 37 76.691 -0.992 -0.210 1.00 0.00 C ATOM 617 CD2 TYR A 37 77.507 -3.125 -0.895 1.00 0.00 C ATOM 618 CE1 TYR A 37 75.664 -1.085 -1.129 1.00 0.00 C ATOM 619 CE2 TYR A 37 76.481 -3.225 -1.815 1.00 0.00 C ATOM 620 CZ TYR A 37 75.565 -2.202 -1.928 1.00 0.00 C ATOM 621 OH TYR A 37 74.543 -2.297 -2.845 1.00 0.00 O ATOM 0 H TYR A 37 80.337 -1.682 2.864 1.00 0.00 H new ATOM 0 HA TYR A 37 77.435 -1.681 2.590 1.00 0.00 H new ATOM 0 HB2 TYR A 37 79.159 -0.875 0.876 1.00 0.00 H new ATOM 0 HB3 TYR A 37 79.563 -2.561 0.621 1.00 0.00 H new ATOM 0 HD1 TYR A 37 76.766 -0.114 0.415 1.00 0.00 H new ATOM 0 HD2 TYR A 37 78.225 -3.927 -0.811 1.00 0.00 H new ATOM 0 HE1 TYR A 37 74.943 -0.286 -1.220 1.00 0.00 H new ATOM 0 HE2 TYR A 37 76.397 -4.100 -2.442 1.00 0.00 H new ATOM 0 HH TYR A 37 74.616 -3.146 -3.329 1.00 0.00 H new ATOM 631 N VAL A 38 79.250 -4.419 2.764 1.00 0.00 N ATOM 632 CA VAL A 38 79.184 -5.859 3.018 1.00 0.00 C ATOM 633 C VAL A 38 79.224 -6.177 4.512 1.00 0.00 C ATOM 634 O VAL A 38 79.352 -7.336 4.910 1.00 0.00 O ATOM 635 CB VAL A 38 80.310 -6.624 2.296 1.00 0.00 C ATOM 636 CG1 VAL A 38 79.895 -6.950 0.874 1.00 0.00 C ATOM 637 CG2 VAL A 38 81.600 -5.820 2.299 1.00 0.00 C ATOM 0 H VAL A 38 80.194 -4.033 2.765 1.00 0.00 H new ATOM 0 HA VAL A 38 78.227 -6.192 2.617 1.00 0.00 H new ATOM 0 HB VAL A 38 80.489 -7.556 2.833 1.00 0.00 H new ATOM 0 HG11 VAL A 38 80.699 -7.490 0.375 1.00 0.00 H new ATOM 0 HG12 VAL A 38 78.998 -7.568 0.890 1.00 0.00 H new ATOM 0 HG13 VAL A 38 79.689 -6.026 0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 38 82.380 -6.381 1.784 1.00 0.00 H new ATOM 0 HG22 VAL A 38 81.438 -4.871 1.788 1.00 0.00 H new ATOM 0 HG23 VAL A 38 81.909 -5.631 3.327 1.00 0.00 H new ATOM 647 N GLY A 39 79.117 -5.141 5.334 1.00 0.00 N ATOM 648 CA GLY A 39 78.996 -5.340 6.766 1.00 0.00 C ATOM 649 C GLY A 39 80.314 -5.641 7.455 1.00 0.00 C ATOM 650 O GLY A 39 80.413 -6.617 8.200 1.00 0.00 O ATOM 0 H GLY A 39 79.112 -4.166 5.035 1.00 0.00 H new ATOM 0 HA2 GLY A 39 78.559 -4.447 7.212 1.00 0.00 H new ATOM 0 HA3 GLY A 39 78.303 -6.161 6.952 1.00 0.00 H new ATOM 654 N GLU A 40 81.323 -4.810 7.191 1.00 0.00 N ATOM 655 CA GLU A 40 82.604 -4.868 7.904 1.00 0.00 C ATOM 656 C GLU A 40 83.286 -6.232 7.777 1.00 0.00 C ATOM 657 O GLU A 40 83.216 -7.052 8.693 1.00 0.00 O ATOM 658 CB GLU A 40 82.407 -4.544 9.388 1.00 0.00 C ATOM 659 CG GLU A 40 81.731 -3.209 9.650 1.00 0.00 C ATOM 660 CD GLU A 40 81.378 -3.025 11.110 1.00 0.00 C ATOM 661 OE1 GLU A 40 80.331 -3.551 11.545 1.00 0.00 O ATOM 662 OE2 GLU A 40 82.141 -2.358 11.839 1.00 0.00 O ATOM 0 H GLU A 40 81.278 -4.080 6.480 1.00 0.00 H new ATOM 0 HA GLU A 40 83.250 -4.124 7.439 1.00 0.00 H new ATOM 0 HB2 GLU A 40 81.813 -5.335 9.845 1.00 0.00 H new ATOM 0 HB3 GLU A 40 83.379 -4.549 9.882 1.00 0.00 H new ATOM 0 HG2 GLU A 40 82.390 -2.401 9.333 1.00 0.00 H new ATOM 0 HG3 GLU A 40 80.826 -3.137 9.047 1.00 0.00 H new ATOM 669 N PRO A 41 83.932 -6.509 6.637 1.00 0.00 N ATOM 670 CA PRO A 41 84.739 -7.713 6.469 1.00 0.00 C ATOM 671 C PRO A 41 86.106 -7.564 7.132 1.00 0.00 C ATOM 672 O PRO A 41 86.456 -6.484 7.623 1.00 0.00 O ATOM 673 CB PRO A 41 84.901 -7.850 4.947 1.00 0.00 C ATOM 674 CG PRO A 41 84.128 -6.722 4.339 1.00 0.00 C ATOM 675 CD PRO A 41 83.919 -5.702 5.419 1.00 0.00 C ATOM 0 HA PRO A 41 84.271 -8.583 6.929 1.00 0.00 H new ATOM 0 HB2 PRO A 41 85.952 -7.799 4.662 1.00 0.00 H new ATOM 0 HB3 PRO A 41 84.523 -8.812 4.601 1.00 0.00 H new ATOM 0 HG2 PRO A 41 84.673 -6.289 3.500 1.00 0.00 H new ATOM 0 HG3 PRO A 41 83.172 -7.074 3.951 1.00 0.00 H new ATOM 0 HD2 PRO A 41 84.709 -4.951 5.424 1.00 0.00 H new ATOM 0 HD3 PRO A 41 82.975 -5.171 5.296 1.00 0.00 H new ATOM 683 N GLU A 42 86.870 -8.644 7.151 1.00 0.00 N ATOM 684 CA GLU A 42 88.215 -8.609 7.700 1.00 0.00 C ATOM 685 C GLU A 42 89.165 -7.950 6.711 1.00 0.00 C ATOM 686 O GLU A 42 89.279 -8.380 5.563 1.00 0.00 O ATOM 687 CB GLU A 42 88.699 -10.019 8.034 1.00 0.00 C ATOM 688 CG GLU A 42 87.850 -10.715 9.081 1.00 0.00 C ATOM 689 CD GLU A 42 87.771 -9.939 10.378 1.00 0.00 C ATOM 690 OE1 GLU A 42 88.713 -10.034 11.192 1.00 0.00 O ATOM 691 OE2 GLU A 42 86.759 -9.242 10.594 1.00 0.00 O ATOM 0 H GLU A 42 86.582 -9.555 6.793 1.00 0.00 H new ATOM 0 HA GLU A 42 88.197 -8.025 8.620 1.00 0.00 H new ATOM 0 HB2 GLU A 42 88.704 -10.619 7.124 1.00 0.00 H new ATOM 0 HB3 GLU A 42 89.729 -9.967 8.387 1.00 0.00 H new ATOM 0 HG2 GLU A 42 86.844 -10.862 8.688 1.00 0.00 H new ATOM 0 HG3 GLU A 42 88.263 -11.704 9.279 1.00 0.00 H new ATOM 698 N LEU A 43 89.835 -6.905 7.160 1.00 0.00 N ATOM 699 CA LEU A 43 90.737 -6.158 6.304 1.00 0.00 C ATOM 700 C LEU A 43 92.161 -6.662 6.451 1.00 0.00 C ATOM 701 O LEU A 43 92.658 -6.845 7.564 1.00 0.00 O ATOM 702 CB LEU A 43 90.671 -4.669 6.638 1.00 0.00 C ATOM 703 CG LEU A 43 89.332 -3.996 6.335 1.00 0.00 C ATOM 704 CD1 LEU A 43 89.374 -2.530 6.733 1.00 0.00 C ATOM 705 CD2 LEU A 43 88.986 -4.141 4.860 1.00 0.00 C ATOM 0 H LEU A 43 89.771 -6.554 8.115 1.00 0.00 H new ATOM 0 HA LEU A 43 90.425 -6.304 5.270 1.00 0.00 H new ATOM 0 HB2 LEU A 43 90.894 -4.540 7.697 1.00 0.00 H new ATOM 0 HB3 LEU A 43 91.454 -4.153 6.082 1.00 0.00 H new ATOM 0 HG LEU A 43 88.555 -4.489 6.920 1.00 0.00 H new ATOM 0 HD11 LEU A 43 88.413 -2.065 6.511 1.00 0.00 H new ATOM 0 HD12 LEU A 43 89.578 -2.449 7.801 1.00 0.00 H new ATOM 0 HD13 LEU A 43 90.160 -2.023 6.173 1.00 0.00 H new ATOM 0 HD21 LEU A 43 88.030 -3.657 4.661 1.00 0.00 H new ATOM 0 HD22 LEU A 43 89.763 -3.672 4.256 1.00 0.00 H new ATOM 0 HD23 LEU A 43 88.917 -5.198 4.605 1.00 0.00 H new ATOM 717 N LYS A 44 92.808 -6.894 5.325 1.00 0.00 N ATOM 718 CA LYS A 44 94.184 -7.344 5.316 1.00 0.00 C ATOM 719 C LYS A 44 95.091 -6.214 4.861 1.00 0.00 C ATOM 720 O LYS A 44 94.729 -5.433 3.986 1.00 0.00 O ATOM 721 CB LYS A 44 94.340 -8.565 4.410 1.00 0.00 C ATOM 722 CG LYS A 44 93.567 -9.775 4.905 1.00 0.00 C ATOM 723 CD LYS A 44 93.781 -10.984 4.014 1.00 0.00 C ATOM 724 CE LYS A 44 93.143 -12.228 4.608 1.00 0.00 C ATOM 725 NZ LYS A 44 93.675 -12.531 5.966 1.00 0.00 N ATOM 0 H LYS A 44 92.398 -6.777 4.399 1.00 0.00 H new ATOM 0 HA LYS A 44 94.470 -7.636 6.326 1.00 0.00 H new ATOM 0 HB2 LYS A 44 94.001 -8.311 3.406 1.00 0.00 H new ATOM 0 HB3 LYS A 44 95.397 -8.822 4.335 1.00 0.00 H new ATOM 0 HG2 LYS A 44 93.878 -10.014 5.922 1.00 0.00 H new ATOM 0 HG3 LYS A 44 92.504 -9.536 4.944 1.00 0.00 H new ATOM 0 HD2 LYS A 44 93.358 -10.791 3.028 1.00 0.00 H new ATOM 0 HD3 LYS A 44 94.849 -11.152 3.875 1.00 0.00 H new ATOM 0 HE2 LYS A 44 92.063 -12.091 4.664 1.00 0.00 H new ATOM 0 HE3 LYS A 44 93.323 -13.078 3.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 93.491 -13.528 6.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 94.700 -12.355 5.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 93.206 -11.922 6.666 1.00 0.00 H new ATOM 739 N THR A 45 96.256 -6.112 5.470 1.00 0.00 N ATOM 740 CA THR A 45 97.173 -5.030 5.165 1.00 0.00 C ATOM 741 C THR A 45 98.510 -5.557 4.663 1.00 0.00 C ATOM 742 O THR A 45 98.969 -6.619 5.088 1.00 0.00 O ATOM 743 CB THR A 45 97.403 -4.140 6.400 1.00 0.00 C ATOM 744 OG1 THR A 45 97.734 -4.948 7.538 1.00 0.00 O ATOM 745 CG2 THR A 45 96.167 -3.310 6.712 1.00 0.00 C ATOM 0 H THR A 45 96.590 -6.765 6.179 1.00 0.00 H new ATOM 0 HA THR A 45 96.715 -4.435 4.375 1.00 0.00 H new ATOM 0 HB THR A 45 98.230 -3.466 6.178 1.00 0.00 H new ATOM 0 HG1 THR A 45 97.723 -4.394 8.347 1.00 0.00 H new ATOM 0 HG21 THR A 45 96.356 -2.691 7.589 1.00 0.00 H new ATOM 0 HG22 THR A 45 95.933 -2.671 5.860 1.00 0.00 H new ATOM 0 HG23 THR A 45 95.325 -3.972 6.911 1.00 0.00 H new ATOM 753 N TYR A 46 99.122 -4.816 3.754 1.00 0.00 N ATOM 754 CA TYR A 46 100.429 -5.176 3.233 1.00 0.00 C ATOM 755 C TYR A 46 101.334 -3.952 3.237 1.00 0.00 C ATOM 756 O TYR A 46 100.856 -2.815 3.207 1.00 0.00 O ATOM 757 CB TYR A 46 100.318 -5.758 1.816 1.00 0.00 C ATOM 758 CG TYR A 46 100.000 -4.739 0.738 1.00 0.00 C ATOM 759 CD1 TYR A 46 98.726 -4.201 0.608 1.00 0.00 C ATOM 760 CD2 TYR A 46 100.981 -4.322 -0.154 1.00 0.00 C ATOM 761 CE1 TYR A 46 98.440 -3.277 -0.378 1.00 0.00 C ATOM 762 CE2 TYR A 46 100.702 -3.399 -1.143 1.00 0.00 C ATOM 763 CZ TYR A 46 99.431 -2.879 -1.251 1.00 0.00 C ATOM 764 OH TYR A 46 99.150 -1.956 -2.234 1.00 0.00 O ATOM 0 H TYR A 46 98.733 -3.959 3.361 1.00 0.00 H new ATOM 0 HA TYR A 46 100.860 -5.945 3.874 1.00 0.00 H new ATOM 0 HB2 TYR A 46 101.257 -6.251 1.565 1.00 0.00 H new ATOM 0 HB3 TYR A 46 99.544 -6.525 1.812 1.00 0.00 H new ATOM 0 HD1 TYR A 46 97.947 -4.510 1.289 1.00 0.00 H new ATOM 0 HD2 TYR A 46 101.979 -4.727 -0.072 1.00 0.00 H new ATOM 0 HE1 TYR A 46 97.444 -2.868 -0.465 1.00 0.00 H new ATOM 0 HE2 TYR A 46 101.476 -3.087 -1.828 1.00 0.00 H new ATOM 0 HH TYR A 46 99.958 -1.784 -2.762 1.00 0.00 H new ATOM 774 N VAL A 47 102.634 -4.184 3.292 1.00 0.00 N ATOM 775 CA VAL A 47 103.599 -3.100 3.280 1.00 0.00 C ATOM 776 C VAL A 47 104.292 -3.025 1.925 1.00 0.00 C ATOM 777 O VAL A 47 105.006 -3.950 1.530 1.00 0.00 O ATOM 778 CB VAL A 47 104.659 -3.272 4.388 1.00 0.00 C ATOM 779 CG1 VAL A 47 105.648 -2.114 4.375 1.00 0.00 C ATOM 780 CG2 VAL A 47 103.996 -3.394 5.752 1.00 0.00 C ATOM 0 H VAL A 47 103.046 -5.116 3.346 1.00 0.00 H new ATOM 0 HA VAL A 47 103.054 -2.175 3.466 1.00 0.00 H new ATOM 0 HB VAL A 47 105.209 -4.192 4.191 1.00 0.00 H new ATOM 0 HG11 VAL A 47 106.386 -2.257 5.165 1.00 0.00 H new ATOM 0 HG12 VAL A 47 106.152 -2.077 3.409 1.00 0.00 H new ATOM 0 HG13 VAL A 47 105.115 -1.178 4.542 1.00 0.00 H new ATOM 0 HG21 VAL A 47 104.761 -3.515 6.519 1.00 0.00 H new ATOM 0 HG22 VAL A 47 103.416 -2.494 5.956 1.00 0.00 H new ATOM 0 HG23 VAL A 47 103.335 -4.261 5.759 1.00 0.00 H new ATOM 790 N ILE A 48 104.060 -1.936 1.213 1.00 0.00 N ATOM 791 CA ILE A 48 104.694 -1.716 -0.074 1.00 0.00 C ATOM 792 C ILE A 48 105.707 -0.579 0.032 1.00 0.00 C ATOM 793 O ILE A 48 105.362 0.556 0.366 1.00 0.00 O ATOM 794 CB ILE A 48 103.655 -1.417 -1.188 1.00 0.00 C ATOM 795 CG1 ILE A 48 104.361 -1.081 -2.507 1.00 0.00 C ATOM 796 CG2 ILE A 48 102.713 -0.289 -0.775 1.00 0.00 C ATOM 797 CD1 ILE A 48 103.412 -0.817 -3.658 1.00 0.00 C ATOM 0 H ILE A 48 103.433 -1.187 1.507 1.00 0.00 H new ATOM 0 HA ILE A 48 105.211 -2.634 -0.353 1.00 0.00 H new ATOM 0 HB ILE A 48 103.054 -2.314 -1.338 1.00 0.00 H new ATOM 0 HG12 ILE A 48 104.990 -0.203 -2.358 1.00 0.00 H new ATOM 0 HG13 ILE A 48 105.022 -1.905 -2.775 1.00 0.00 H new ATOM 0 HG21 ILE A 48 101.997 -0.102 -1.575 1.00 0.00 H new ATOM 0 HG22 ILE A 48 102.179 -0.575 0.131 1.00 0.00 H new ATOM 0 HG23 ILE A 48 103.290 0.616 -0.586 1.00 0.00 H new ATOM 0 HD11 ILE A 48 103.985 -0.586 -4.556 1.00 0.00 H new ATOM 0 HD12 ILE A 48 102.800 -1.701 -3.835 1.00 0.00 H new ATOM 0 HD13 ILE A 48 102.768 0.027 -3.412 1.00 0.00 H new ATOM 809 N GLU A 49 106.966 -0.895 -0.217 1.00 0.00 N ATOM 810 CA GLU A 49 108.023 0.095 -0.119 1.00 0.00 C ATOM 811 C GLU A 49 108.142 0.891 -1.408 1.00 0.00 C ATOM 812 O GLU A 49 108.407 0.335 -2.476 1.00 0.00 O ATOM 813 CB GLU A 49 109.361 -0.567 0.199 1.00 0.00 C ATOM 814 CG GLU A 49 109.379 -1.305 1.525 1.00 0.00 C ATOM 815 CD GLU A 49 110.728 -1.925 1.810 1.00 0.00 C ATOM 816 OE1 GLU A 49 111.039 -2.972 1.207 1.00 0.00 O ATOM 817 OE2 GLU A 49 111.485 -1.365 2.628 1.00 0.00 O ATOM 0 H GLU A 49 107.280 -1.827 -0.488 1.00 0.00 H new ATOM 0 HA GLU A 49 107.763 0.774 0.693 1.00 0.00 H new ATOM 0 HB2 GLU A 49 109.608 -1.267 -0.599 1.00 0.00 H new ATOM 0 HB3 GLU A 49 110.140 0.195 0.207 1.00 0.00 H new ATOM 0 HG2 GLU A 49 109.121 -0.614 2.328 1.00 0.00 H new ATOM 0 HG3 GLU A 49 108.617 -2.084 1.517 1.00 0.00 H new ATOM 824 N ASP A 50 107.932 2.189 -1.305 1.00 0.00 N ATOM 825 CA ASP A 50 108.128 3.077 -2.435 1.00 0.00 C ATOM 826 C ASP A 50 109.513 3.692 -2.354 1.00 0.00 C ATOM 827 O ASP A 50 109.765 4.578 -1.540 1.00 0.00 O ATOM 828 CB ASP A 50 107.067 4.176 -2.470 1.00 0.00 C ATOM 829 CG ASP A 50 107.179 5.023 -3.721 1.00 0.00 C ATOM 830 OD1 ASP A 50 107.138 4.448 -4.829 1.00 0.00 O ATOM 831 OD2 ASP A 50 107.313 6.258 -3.610 1.00 0.00 O ATOM 0 H ASP A 50 107.625 2.653 -0.450 1.00 0.00 H new ATOM 0 HA ASP A 50 108.034 2.496 -3.353 1.00 0.00 H new ATOM 0 HB2 ASP A 50 106.075 3.726 -2.423 1.00 0.00 H new ATOM 0 HB3 ASP A 50 107.171 4.811 -1.590 1.00 0.00 H new ATOM 836 N GLU A 51 110.419 3.185 -3.166 1.00 0.00 N ATOM 837 CA GLU A 51 111.789 3.661 -3.155 1.00 0.00 C ATOM 838 C GLU A 51 111.903 4.992 -3.877 1.00 0.00 C ATOM 839 O GLU A 51 111.520 5.118 -5.042 1.00 0.00 O ATOM 840 CB GLU A 51 112.718 2.625 -3.781 1.00 0.00 C ATOM 841 CG GLU A 51 112.852 1.368 -2.943 1.00 0.00 C ATOM 842 CD GLU A 51 113.755 0.337 -3.579 1.00 0.00 C ATOM 843 OE1 GLU A 51 114.841 0.706 -4.061 1.00 0.00 O ATOM 844 OE2 GLU A 51 113.383 -0.854 -3.588 1.00 0.00 O ATOM 0 H GLU A 51 110.232 2.444 -3.842 1.00 0.00 H new ATOM 0 HA GLU A 51 112.091 3.813 -2.119 1.00 0.00 H new ATOM 0 HB2 GLU A 51 112.343 2.358 -4.769 1.00 0.00 H new ATOM 0 HB3 GLU A 51 113.704 3.068 -3.923 1.00 0.00 H new ATOM 0 HG2 GLU A 51 113.244 1.631 -1.960 1.00 0.00 H new ATOM 0 HG3 GLU A 51 111.865 0.933 -2.787 1.00 0.00 H new ATOM 851 N ILE A 52 112.403 5.988 -3.167 1.00 0.00 N ATOM 852 CA ILE A 52 112.614 7.300 -3.746 1.00 0.00 C ATOM 853 C ILE A 52 113.983 7.359 -4.407 1.00 0.00 C ATOM 854 O ILE A 52 115.015 7.341 -3.733 1.00 0.00 O ATOM 855 CB ILE A 52 112.493 8.421 -2.691 1.00 0.00 C ATOM 856 CG1 ILE A 52 111.095 8.402 -2.062 1.00 0.00 C ATOM 857 CG2 ILE A 52 112.775 9.779 -3.322 1.00 0.00 C ATOM 858 CD1 ILE A 52 110.895 9.447 -0.985 1.00 0.00 C ATOM 0 H ILE A 52 112.671 5.911 -2.186 1.00 0.00 H new ATOM 0 HA ILE A 52 111.836 7.462 -4.492 1.00 0.00 H new ATOM 0 HB ILE A 52 113.232 8.247 -1.908 1.00 0.00 H new ATOM 0 HG12 ILE A 52 110.352 8.554 -2.845 1.00 0.00 H new ATOM 0 HG13 ILE A 52 110.912 7.415 -1.636 1.00 0.00 H new ATOM 0 HG21 ILE A 52 112.685 10.558 -2.565 1.00 0.00 H new ATOM 0 HG22 ILE A 52 113.785 9.787 -3.733 1.00 0.00 H new ATOM 0 HG23 ILE A 52 112.057 9.965 -4.121 1.00 0.00 H new ATOM 0 HD11 ILE A 52 109.883 9.371 -0.588 1.00 0.00 H new ATOM 0 HD12 ILE A 52 111.613 9.283 -0.181 1.00 0.00 H new ATOM 0 HD13 ILE A 52 111.045 10.440 -1.409 1.00 0.00 H new ATOM 870 N VAL A 53 113.978 7.393 -5.730 1.00 0.00 N ATOM 871 CA VAL A 53 115.203 7.465 -6.506 1.00 0.00 C ATOM 872 C VAL A 53 115.123 8.641 -7.465 1.00 0.00 C ATOM 873 O VAL A 53 114.478 8.560 -8.510 1.00 0.00 O ATOM 874 CB VAL A 53 115.467 6.164 -7.302 1.00 0.00 C ATOM 875 CG1 VAL A 53 116.792 6.248 -8.051 1.00 0.00 C ATOM 876 CG2 VAL A 53 115.449 4.950 -6.383 1.00 0.00 C ATOM 0 H VAL A 53 113.128 7.372 -6.293 1.00 0.00 H new ATOM 0 HA VAL A 53 116.031 7.598 -5.809 1.00 0.00 H new ATOM 0 HB VAL A 53 114.666 6.049 -8.032 1.00 0.00 H new ATOM 0 HG11 VAL A 53 116.957 5.323 -8.603 1.00 0.00 H new ATOM 0 HG12 VAL A 53 116.764 7.086 -8.747 1.00 0.00 H new ATOM 0 HG13 VAL A 53 117.604 6.395 -7.339 1.00 0.00 H new ATOM 0 HG21 VAL A 53 115.637 4.049 -6.967 1.00 0.00 H new ATOM 0 HG22 VAL A 53 116.223 5.058 -5.623 1.00 0.00 H new ATOM 0 HG23 VAL A 53 114.475 4.873 -5.901 1.00 0.00 H new ATOM 886 N GLU A 54 115.755 9.737 -7.088 1.00 0.00 N ATOM 887 CA GLU A 54 115.717 10.956 -7.876 1.00 0.00 C ATOM 888 C GLU A 54 117.105 11.585 -7.940 1.00 0.00 C ATOM 889 O GLU A 54 117.993 11.194 -7.179 1.00 0.00 O ATOM 890 CB GLU A 54 114.702 11.933 -7.273 1.00 0.00 C ATOM 891 CG GLU A 54 114.915 12.216 -5.795 1.00 0.00 C ATOM 892 CD GLU A 54 113.898 13.193 -5.251 1.00 0.00 C ATOM 893 OE1 GLU A 54 112.691 12.864 -5.246 1.00 0.00 O ATOM 894 OE2 GLU A 54 114.289 14.306 -4.844 1.00 0.00 O ATOM 0 H GLU A 54 116.306 9.808 -6.233 1.00 0.00 H new ATOM 0 HA GLU A 54 115.406 10.717 -8.893 1.00 0.00 H new ATOM 0 HB2 GLU A 54 114.749 12.873 -7.822 1.00 0.00 H new ATOM 0 HB3 GLU A 54 113.699 11.531 -7.414 1.00 0.00 H new ATOM 0 HG2 GLU A 54 114.856 11.283 -5.235 1.00 0.00 H new ATOM 0 HG3 GLU A 54 115.918 12.615 -5.644 1.00 0.00 H new ATOM 901 N PRO A 55 117.316 12.548 -8.861 1.00 0.00 N ATOM 902 CA PRO A 55 118.599 13.237 -9.020 1.00 0.00 C ATOM 903 C PRO A 55 119.141 13.797 -7.708 1.00 0.00 C ATOM 904 O PRO A 55 118.404 14.369 -6.902 1.00 0.00 O ATOM 905 CB PRO A 55 118.289 14.384 -9.997 1.00 0.00 C ATOM 906 CG PRO A 55 116.801 14.430 -10.105 1.00 0.00 C ATOM 907 CD PRO A 55 116.330 13.033 -9.834 1.00 0.00 C ATOM 0 HA PRO A 55 119.369 12.552 -9.375 1.00 0.00 H new ATOM 0 HB2 PRO A 55 118.684 15.330 -9.628 1.00 0.00 H new ATOM 0 HB3 PRO A 55 118.747 14.205 -10.970 1.00 0.00 H new ATOM 0 HG2 PRO A 55 116.378 15.132 -9.386 1.00 0.00 H new ATOM 0 HG3 PRO A 55 116.491 14.762 -11.096 1.00 0.00 H new ATOM 0 HD2 PRO A 55 115.318 13.017 -9.429 1.00 0.00 H new ATOM 0 HD3 PRO A 55 116.320 12.425 -10.739 1.00 0.00 H new ATOM 915 N GLY A 56 120.441 13.648 -7.517 1.00 0.00 N ATOM 916 CA GLY A 56 121.075 14.135 -6.311 1.00 0.00 C ATOM 917 C GLY A 56 122.359 14.862 -6.622 1.00 0.00 C ATOM 918 O GLY A 56 123.247 14.977 -5.783 1.00 0.00 O ATOM 0 H GLY A 56 121.072 13.196 -8.179 1.00 0.00 H new ATOM 0 HA2 GLY A 56 120.394 14.804 -5.784 1.00 0.00 H new ATOM 0 HA3 GLY A 56 121.281 13.299 -5.643 1.00 0.00 H new ATOM 922 N GLU A 57 122.445 15.358 -7.845 1.00 0.00 N ATOM 923 CA GLU A 57 123.595 16.131 -8.290 1.00 0.00 C ATOM 924 C GLU A 57 123.496 17.565 -7.783 1.00 0.00 C ATOM 925 O GLU A 57 124.490 18.287 -7.718 1.00 0.00 O ATOM 926 CB GLU A 57 123.661 16.103 -9.814 1.00 0.00 C ATOM 927 CG GLU A 57 123.913 14.714 -10.375 1.00 0.00 C ATOM 928 CD GLU A 57 123.336 14.530 -11.760 1.00 0.00 C ATOM 929 OE1 GLU A 57 123.723 15.281 -12.681 1.00 0.00 O ATOM 930 OE2 GLU A 57 122.491 13.630 -11.934 1.00 0.00 O ATOM 0 H GLU A 57 121.723 15.238 -8.556 1.00 0.00 H new ATOM 0 HA GLU A 57 124.507 15.692 -7.885 1.00 0.00 H new ATOM 0 HB2 GLU A 57 122.725 16.487 -10.219 1.00 0.00 H new ATOM 0 HB3 GLU A 57 124.453 16.773 -10.150 1.00 0.00 H new ATOM 0 HG2 GLU A 57 124.987 14.528 -10.406 1.00 0.00 H new ATOM 0 HG3 GLU A 57 123.480 13.972 -9.704 1.00 0.00 H new ATOM 937 N TYR A 58 122.283 17.962 -7.416 1.00 0.00 N ATOM 938 CA TYR A 58 122.038 19.299 -6.888 1.00 0.00 C ATOM 939 C TYR A 58 122.423 19.367 -5.416 1.00 0.00 C ATOM 940 O TYR A 58 122.692 20.440 -4.879 1.00 0.00 O ATOM 941 CB TYR A 58 120.565 19.678 -7.062 1.00 0.00 C ATOM 942 CG TYR A 58 120.105 19.674 -8.501 1.00 0.00 C ATOM 943 CD1 TYR A 58 120.327 20.772 -9.322 1.00 0.00 C ATOM 944 CD2 TYR A 58 119.455 18.571 -9.042 1.00 0.00 C ATOM 945 CE1 TYR A 58 119.912 20.773 -10.639 1.00 0.00 C ATOM 946 CE2 TYR A 58 119.039 18.564 -10.359 1.00 0.00 C ATOM 947 CZ TYR A 58 119.269 19.668 -11.152 1.00 0.00 C ATOM 948 OH TYR A 58 118.862 19.664 -12.466 1.00 0.00 O ATOM 0 H TYR A 58 121.451 17.375 -7.475 1.00 0.00 H new ATOM 0 HA TYR A 58 122.652 20.007 -7.444 1.00 0.00 H new ATOM 0 HB2 TYR A 58 119.950 18.983 -6.491 1.00 0.00 H new ATOM 0 HB3 TYR A 58 120.401 20.669 -6.640 1.00 0.00 H new ATOM 0 HD1 TYR A 58 120.833 21.639 -8.924 1.00 0.00 H new ATOM 0 HD2 TYR A 58 119.272 17.705 -8.423 1.00 0.00 H new ATOM 0 HE1 TYR A 58 120.091 21.636 -11.264 1.00 0.00 H new ATOM 0 HE2 TYR A 58 118.536 17.699 -10.765 1.00 0.00 H new ATOM 0 HH TYR A 58 118.426 18.811 -12.671 1.00 0.00 H new ATOM 958 N ASP A 59 122.449 18.212 -4.771 1.00 0.00 N ATOM 959 CA ASP A 59 122.837 18.132 -3.373 1.00 0.00 C ATOM 960 C ASP A 59 123.809 16.977 -3.174 1.00 0.00 C ATOM 961 O ASP A 59 123.395 15.823 -3.058 1.00 0.00 O ATOM 962 CB ASP A 59 121.612 17.957 -2.476 1.00 0.00 C ATOM 963 CG ASP A 59 121.946 18.151 -1.013 1.00 0.00 C ATOM 964 OD1 ASP A 59 122.149 19.313 -0.601 1.00 0.00 O ATOM 965 OD2 ASP A 59 122.014 17.153 -0.267 1.00 0.00 O ATOM 0 H ASP A 59 122.206 17.316 -5.194 1.00 0.00 H new ATOM 0 HA ASP A 59 123.327 19.065 -3.094 1.00 0.00 H new ATOM 0 HB2 ASP A 59 120.843 18.671 -2.770 1.00 0.00 H new ATOM 0 HB3 ASP A 59 121.195 16.961 -2.623 1.00 0.00 H new ATOM 970 N PRO A 60 125.116 17.284 -3.163 1.00 0.00 N ATOM 971 CA PRO A 60 126.181 16.274 -3.100 1.00 0.00 C ATOM 972 C PRO A 60 126.019 15.309 -1.930 1.00 0.00 C ATOM 973 O PRO A 60 125.749 15.726 -0.798 1.00 0.00 O ATOM 974 CB PRO A 60 127.454 17.105 -2.934 1.00 0.00 C ATOM 975 CG PRO A 60 127.115 18.438 -3.501 1.00 0.00 C ATOM 976 CD PRO A 60 125.660 18.653 -3.204 1.00 0.00 C ATOM 0 HA PRO A 60 126.180 15.638 -3.985 1.00 0.00 H new ATOM 0 HB2 PRO A 60 127.742 17.183 -1.885 1.00 0.00 H new ATOM 0 HB3 PRO A 60 128.293 16.652 -3.462 1.00 0.00 H new ATOM 0 HG2 PRO A 60 127.725 19.221 -3.051 1.00 0.00 H new ATOM 0 HG3 PRO A 60 127.303 18.465 -4.574 1.00 0.00 H new ATOM 0 HD2 PRO A 60 125.515 19.172 -2.256 1.00 0.00 H new ATOM 0 HD3 PRO A 60 125.177 19.255 -3.974 1.00 0.00 H new ATOM 984 N PRO A 61 126.178 14.002 -2.197 1.00 0.00 N ATOM 985 CA PRO A 61 126.053 12.960 -1.180 1.00 0.00 C ATOM 986 C PRO A 61 127.076 13.127 -0.064 1.00 0.00 C ATOM 987 O PRO A 61 128.285 13.051 -0.292 1.00 0.00 O ATOM 988 CB PRO A 61 126.308 11.657 -1.948 1.00 0.00 C ATOM 989 CG PRO A 61 126.078 12.002 -3.379 1.00 0.00 C ATOM 990 CD PRO A 61 126.490 13.437 -3.521 1.00 0.00 C ATOM 0 HA PRO A 61 125.079 12.988 -0.691 1.00 0.00 H new ATOM 0 HB2 PRO A 61 127.324 11.296 -1.787 1.00 0.00 H new ATOM 0 HB3 PRO A 61 125.633 10.866 -1.619 1.00 0.00 H new ATOM 0 HG2 PRO A 61 126.664 11.359 -4.036 1.00 0.00 H new ATOM 0 HG3 PRO A 61 125.031 11.866 -3.651 1.00 0.00 H new ATOM 0 HD2 PRO A 61 127.549 13.531 -3.761 1.00 0.00 H new ATOM 0 HD3 PRO A 61 125.937 13.939 -4.315 1.00 0.00 H new ATOM 998 N GLU A 62 126.579 13.374 1.132 1.00 0.00 N ATOM 999 CA GLU A 62 127.418 13.520 2.308 1.00 0.00 C ATOM 1000 C GLU A 62 127.586 12.142 2.951 1.00 0.00 C ATOM 1001 O GLU A 62 127.420 11.125 2.276 1.00 0.00 O ATOM 1002 CB GLU A 62 126.740 14.515 3.263 1.00 0.00 C ATOM 1003 CG GLU A 62 127.690 15.477 3.965 1.00 0.00 C ATOM 1004 CD GLU A 62 128.205 14.940 5.279 1.00 0.00 C ATOM 1005 OE1 GLU A 62 129.235 14.246 5.277 1.00 0.00 O ATOM 1006 OE2 GLU A 62 127.566 15.197 6.321 1.00 0.00 O ATOM 0 H GLU A 62 125.582 13.479 1.317 1.00 0.00 H new ATOM 0 HA GLU A 62 128.406 13.905 2.056 1.00 0.00 H new ATOM 0 HB2 GLU A 62 126.008 15.095 2.701 1.00 0.00 H new ATOM 0 HB3 GLU A 62 126.190 13.954 4.019 1.00 0.00 H new ATOM 0 HG2 GLU A 62 128.534 15.689 3.309 1.00 0.00 H new ATOM 0 HG3 GLU A 62 127.177 16.423 4.141 1.00 0.00 H new ATOM 1013 N MET A 63 127.921 12.095 4.236 1.00 0.00 N ATOM 1014 CA MET A 63 127.914 10.833 4.971 1.00 0.00 C ATOM 1015 C MET A 63 126.501 10.263 5.005 1.00 0.00 C ATOM 1016 O MET A 63 126.299 9.081 5.278 1.00 0.00 O ATOM 1017 CB MET A 63 128.446 11.008 6.394 1.00 0.00 C ATOM 1018 CG MET A 63 129.936 11.300 6.455 1.00 0.00 C ATOM 1019 SD MET A 63 130.576 11.291 8.142 1.00 0.00 S ATOM 1020 CE MET A 63 130.221 9.600 8.618 1.00 0.00 C ATOM 0 H MET A 63 128.198 12.907 4.787 1.00 0.00 H new ATOM 0 HA MET A 63 128.575 10.137 4.454 1.00 0.00 H new ATOM 0 HB2 MET A 63 127.905 11.821 6.878 1.00 0.00 H new ATOM 0 HB3 MET A 63 128.238 10.103 6.965 1.00 0.00 H new ATOM 0 HG2 MET A 63 130.472 10.559 5.863 1.00 0.00 H new ATOM 0 HG3 MET A 63 130.131 12.272 6.001 1.00 0.00 H new ATOM 0 HE1 MET A 63 130.908 9.292 9.406 1.00 0.00 H new ATOM 0 HE2 MET A 63 129.196 9.532 8.983 1.00 0.00 H new ATOM 0 HE3 MET A 63 130.342 8.946 7.755 1.00 0.00 H new ATOM 1030 N LYS A 64 125.526 11.122 4.737 1.00 0.00 N ATOM 1031 CA LYS A 64 124.161 10.688 4.519 1.00 0.00 C ATOM 1032 C LYS A 64 123.986 10.312 3.055 1.00 0.00 C ATOM 1033 O LYS A 64 123.872 11.180 2.186 1.00 0.00 O ATOM 1034 CB LYS A 64 123.174 11.787 4.906 1.00 0.00 C ATOM 1035 CG LYS A 64 123.209 12.132 6.382 1.00 0.00 C ATOM 1036 CD LYS A 64 122.141 13.146 6.744 1.00 0.00 C ATOM 1037 CE LYS A 64 122.031 13.314 8.249 1.00 0.00 C ATOM 1038 NZ LYS A 64 121.756 12.020 8.926 1.00 0.00 N ATOM 0 H LYS A 64 125.662 12.130 4.666 1.00 0.00 H new ATOM 0 HA LYS A 64 123.958 9.820 5.146 1.00 0.00 H new ATOM 0 HB2 LYS A 64 123.393 12.683 4.325 1.00 0.00 H new ATOM 0 HB3 LYS A 64 122.166 11.471 4.638 1.00 0.00 H new ATOM 0 HG2 LYS A 64 123.066 11.226 6.971 1.00 0.00 H new ATOM 0 HG3 LYS A 64 124.191 12.529 6.640 1.00 0.00 H new ATOM 0 HD2 LYS A 64 122.377 14.106 6.285 1.00 0.00 H new ATOM 0 HD3 LYS A 64 121.180 12.826 6.340 1.00 0.00 H new ATOM 0 HE2 LYS A 64 122.957 13.738 8.637 1.00 0.00 H new ATOM 0 HE3 LYS A 64 121.235 14.022 8.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 121.390 12.200 9.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 121.051 11.486 8.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 122.635 11.468 8.990 1.00 0.00 H new ATOM 1052 N TYR A 65 123.999 9.020 2.784 1.00 0.00 N ATOM 1053 CA TYR A 65 123.934 8.532 1.421 1.00 0.00 C ATOM 1054 C TYR A 65 122.492 8.434 0.945 1.00 0.00 C ATOM 1055 O TYR A 65 121.795 7.460 1.231 1.00 0.00 O ATOM 1056 CB TYR A 65 124.633 7.174 1.299 1.00 0.00 C ATOM 1057 CG TYR A 65 126.123 7.233 1.550 1.00 0.00 C ATOM 1058 CD1 TYR A 65 127.009 7.503 0.516 1.00 0.00 C ATOM 1059 CD2 TYR A 65 126.645 7.021 2.821 1.00 0.00 C ATOM 1060 CE1 TYR A 65 128.372 7.562 0.740 1.00 0.00 C ATOM 1061 CE2 TYR A 65 128.005 7.081 3.054 1.00 0.00 C ATOM 1062 CZ TYR A 65 128.866 7.352 2.011 1.00 0.00 C ATOM 1063 OH TYR A 65 130.223 7.415 2.237 1.00 0.00 O ATOM 0 H TYR A 65 124.054 8.289 3.493 1.00 0.00 H new ATOM 0 HA TYR A 65 124.454 9.247 0.783 1.00 0.00 H new ATOM 0 HB2 TYR A 65 124.182 6.478 2.006 1.00 0.00 H new ATOM 0 HB3 TYR A 65 124.457 6.773 0.301 1.00 0.00 H new ATOM 0 HD1 TYR A 65 126.627 7.670 -0.480 1.00 0.00 H new ATOM 0 HD2 TYR A 65 125.975 6.806 3.640 1.00 0.00 H new ATOM 0 HE1 TYR A 65 129.047 7.772 -0.076 1.00 0.00 H new ATOM 0 HE2 TYR A 65 128.393 6.916 4.049 1.00 0.00 H new ATOM 0 HH TYR A 65 130.405 7.245 3.185 1.00 0.00 H new ATOM 1073 N THR A 66 122.054 9.451 0.219 1.00 0.00 N ATOM 1074 CA THR A 66 120.722 9.477 -0.368 1.00 0.00 C ATOM 1075 C THR A 66 120.651 8.579 -1.607 1.00 0.00 C ATOM 1076 O THR A 66 120.091 8.953 -2.638 1.00 0.00 O ATOM 1077 CB THR A 66 120.340 10.922 -0.735 1.00 0.00 C ATOM 1078 OG1 THR A 66 121.500 11.623 -1.213 1.00 0.00 O ATOM 1079 CG2 THR A 66 119.756 11.652 0.466 1.00 0.00 C ATOM 0 H THR A 66 122.611 10.282 0.020 1.00 0.00 H new ATOM 0 HA THR A 66 120.014 9.095 0.367 1.00 0.00 H new ATOM 0 HB THR A 66 119.583 10.890 -1.518 1.00 0.00 H new ATOM 0 HG1 THR A 66 121.253 12.542 -1.447 1.00 0.00 H new ATOM 0 HG21 THR A 66 119.494 12.671 0.181 1.00 0.00 H new ATOM 0 HG22 THR A 66 118.863 11.131 0.810 1.00 0.00 H new ATOM 0 HG23 THR A 66 120.492 11.678 1.269 1.00 0.00 H new ATOM 1087 N ASN A 67 121.209 7.383 -1.480 1.00 0.00 N ATOM 1088 CA ASN A 67 121.290 6.433 -2.581 1.00 0.00 C ATOM 1089 C ASN A 67 119.934 5.788 -2.837 1.00 0.00 C ATOM 1090 O ASN A 67 119.461 5.738 -3.972 1.00 0.00 O ATOM 1091 CB ASN A 67 122.335 5.359 -2.261 1.00 0.00 C ATOM 1092 CG ASN A 67 122.522 4.345 -3.377 1.00 0.00 C ATOM 1093 OD1 ASN A 67 122.798 3.174 -3.119 1.00 0.00 O ATOM 1094 ND2 ASN A 67 122.394 4.785 -4.620 1.00 0.00 N ATOM 0 H ASN A 67 121.619 7.044 -0.610 1.00 0.00 H new ATOM 0 HA ASN A 67 121.589 6.967 -3.483 1.00 0.00 H new ATOM 0 HB2 ASN A 67 123.290 5.842 -2.056 1.00 0.00 H new ATOM 0 HB3 ASN A 67 122.040 4.836 -1.351 1.00 0.00 H new ATOM 0 HD21 ASN A 67 122.525 4.145 -5.404 1.00 0.00 H new ATOM 0 HD22 ASN A 67 122.164 5.764 -4.794 1.00 0.00 H new ATOM 1101 N VAL A 68 119.310 5.304 -1.773 1.00 0.00 N ATOM 1102 CA VAL A 68 118.013 4.657 -1.881 1.00 0.00 C ATOM 1103 C VAL A 68 117.187 4.895 -0.621 1.00 0.00 C ATOM 1104 O VAL A 68 117.599 4.553 0.487 1.00 0.00 O ATOM 1105 CB VAL A 68 118.153 3.137 -2.151 1.00 0.00 C ATOM 1106 CG1 VAL A 68 119.077 2.477 -1.139 1.00 0.00 C ATOM 1107 CG2 VAL A 68 116.788 2.463 -2.152 1.00 0.00 C ATOM 0 H VAL A 68 119.682 5.348 -0.824 1.00 0.00 H new ATOM 0 HA VAL A 68 117.496 5.101 -2.732 1.00 0.00 H new ATOM 0 HB VAL A 68 118.599 3.015 -3.138 1.00 0.00 H new ATOM 0 HG11 VAL A 68 119.153 1.412 -1.357 1.00 0.00 H new ATOM 0 HG12 VAL A 68 120.066 2.931 -1.199 1.00 0.00 H new ATOM 0 HG13 VAL A 68 118.675 2.614 -0.135 1.00 0.00 H new ATOM 0 HG21 VAL A 68 116.909 1.397 -2.343 1.00 0.00 H new ATOM 0 HG22 VAL A 68 116.311 2.606 -1.182 1.00 0.00 H new ATOM 0 HG23 VAL A 68 116.165 2.903 -2.931 1.00 0.00 H new ATOM 1117 N LYS A 69 116.031 5.516 -0.795 1.00 0.00 N ATOM 1118 CA LYS A 69 115.132 5.759 0.319 1.00 0.00 C ATOM 1119 C LYS A 69 114.003 4.738 0.317 1.00 0.00 C ATOM 1120 O LYS A 69 113.140 4.753 -0.561 1.00 0.00 O ATOM 1121 CB LYS A 69 114.552 7.175 0.256 1.00 0.00 C ATOM 1122 CG LYS A 69 113.619 7.503 1.416 1.00 0.00 C ATOM 1123 CD LYS A 69 114.358 7.526 2.747 1.00 0.00 C ATOM 1124 CE LYS A 69 113.405 7.708 3.921 1.00 0.00 C ATOM 1125 NZ LYS A 69 112.551 6.507 4.137 1.00 0.00 N ATOM 0 H LYS A 69 115.695 5.860 -1.695 1.00 0.00 H new ATOM 0 HA LYS A 69 115.703 5.660 1.242 1.00 0.00 H new ATOM 0 HB2 LYS A 69 115.371 7.894 0.245 1.00 0.00 H new ATOM 0 HB3 LYS A 69 114.009 7.295 -0.682 1.00 0.00 H new ATOM 0 HG2 LYS A 69 113.151 8.472 1.243 1.00 0.00 H new ATOM 0 HG3 LYS A 69 112.818 6.765 1.458 1.00 0.00 H new ATOM 0 HD2 LYS A 69 114.913 6.596 2.870 1.00 0.00 H new ATOM 0 HD3 LYS A 69 115.088 8.335 2.743 1.00 0.00 H new ATOM 0 HE2 LYS A 69 113.978 7.913 4.825 1.00 0.00 H new ATOM 0 HE3 LYS A 69 112.771 8.576 3.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 111.558 6.747 3.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 112.855 5.745 3.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 112.643 6.188 5.123 1.00 0.00 H new ATOM 1139 N LYS A 70 114.024 3.851 1.296 1.00 0.00 N ATOM 1140 CA LYS A 70 112.978 2.853 1.453 1.00 0.00 C ATOM 1141 C LYS A 70 111.809 3.452 2.223 1.00 0.00 C ATOM 1142 O LYS A 70 111.904 3.678 3.431 1.00 0.00 O ATOM 1143 CB LYS A 70 113.512 1.624 2.198 1.00 0.00 C ATOM 1144 CG LYS A 70 114.626 0.881 1.470 1.00 0.00 C ATOM 1145 CD LYS A 70 114.091 0.048 0.313 1.00 0.00 C ATOM 1146 CE LYS A 70 115.203 -0.754 -0.345 1.00 0.00 C ATOM 1147 NZ LYS A 70 114.684 -1.723 -1.348 1.00 0.00 N ATOM 0 H LYS A 70 114.760 3.801 2.000 1.00 0.00 H new ATOM 0 HA LYS A 70 112.642 2.542 0.464 1.00 0.00 H new ATOM 0 HB2 LYS A 70 113.879 1.938 3.175 1.00 0.00 H new ATOM 0 HB3 LYS A 70 112.687 0.934 2.374 1.00 0.00 H new ATOM 0 HG2 LYS A 70 115.355 1.598 1.094 1.00 0.00 H new ATOM 0 HG3 LYS A 70 115.149 0.233 2.173 1.00 0.00 H new ATOM 0 HD2 LYS A 70 113.316 -0.628 0.675 1.00 0.00 H new ATOM 0 HD3 LYS A 70 113.625 0.701 -0.424 1.00 0.00 H new ATOM 0 HE2 LYS A 70 115.902 -0.072 -0.830 1.00 0.00 H new ATOM 0 HE3 LYS A 70 115.762 -1.292 0.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 115.408 -1.891 -2.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 114.453 -2.621 -0.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 113.828 -1.336 -1.794 1.00 0.00 H new ATOM 1161 N VAL A 71 110.726 3.755 1.529 1.00 0.00 N ATOM 1162 CA VAL A 71 109.528 4.265 2.177 1.00 0.00 C ATOM 1163 C VAL A 71 108.498 3.153 2.317 1.00 0.00 C ATOM 1164 O VAL A 71 107.812 2.803 1.356 1.00 0.00 O ATOM 1165 CB VAL A 71 108.914 5.454 1.407 1.00 0.00 C ATOM 1166 CG1 VAL A 71 107.706 6.013 2.141 1.00 0.00 C ATOM 1167 CG2 VAL A 71 109.954 6.540 1.183 1.00 0.00 C ATOM 0 H VAL A 71 110.650 3.657 0.517 1.00 0.00 H new ATOM 0 HA VAL A 71 109.818 4.625 3.164 1.00 0.00 H new ATOM 0 HB VAL A 71 108.580 5.091 0.435 1.00 0.00 H new ATOM 0 HG11 VAL A 71 107.293 6.849 1.577 1.00 0.00 H new ATOM 0 HG12 VAL A 71 106.950 5.235 2.242 1.00 0.00 H new ATOM 0 HG13 VAL A 71 108.008 6.356 3.130 1.00 0.00 H new ATOM 0 HG21 VAL A 71 109.502 7.370 0.639 1.00 0.00 H new ATOM 0 HG22 VAL A 71 110.322 6.895 2.145 1.00 0.00 H new ATOM 0 HG23 VAL A 71 110.784 6.135 0.604 1.00 0.00 H new ATOM 1177 N LYS A 72 108.412 2.580 3.505 1.00 0.00 N ATOM 1178 CA LYS A 72 107.510 1.469 3.758 1.00 0.00 C ATOM 1179 C LYS A 72 106.085 1.975 3.950 1.00 0.00 C ATOM 1180 O LYS A 72 105.723 2.444 5.031 1.00 0.00 O ATOM 1181 CB LYS A 72 107.964 0.688 4.993 1.00 0.00 C ATOM 1182 CG LYS A 72 109.416 0.236 4.933 1.00 0.00 C ATOM 1183 CD LYS A 72 109.829 -0.465 6.214 1.00 0.00 C ATOM 1184 CE LYS A 72 111.327 -0.731 6.255 1.00 0.00 C ATOM 1185 NZ LYS A 72 111.766 -1.701 5.216 1.00 0.00 N ATOM 0 H LYS A 72 108.960 2.868 4.315 1.00 0.00 H new ATOM 0 HA LYS A 72 107.530 0.803 2.895 1.00 0.00 H new ATOM 0 HB2 LYS A 72 107.823 1.310 5.877 1.00 0.00 H new ATOM 0 HB3 LYS A 72 107.325 -0.187 5.113 1.00 0.00 H new ATOM 0 HG2 LYS A 72 109.555 -0.437 4.087 1.00 0.00 H new ATOM 0 HG3 LYS A 72 110.061 1.098 4.764 1.00 0.00 H new ATOM 0 HD2 LYS A 72 109.545 0.146 7.071 1.00 0.00 H new ATOM 0 HD3 LYS A 72 109.290 -1.408 6.302 1.00 0.00 H new ATOM 0 HE2 LYS A 72 111.863 0.208 6.119 1.00 0.00 H new ATOM 0 HE3 LYS A 72 111.597 -1.112 7.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 112.742 -2.001 5.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 111.139 -2.531 5.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 111.724 -1.250 4.280 1.00 0.00 H new ATOM 1199 N ILE A 73 105.290 1.902 2.896 1.00 0.00 N ATOM 1200 CA ILE A 73 103.919 2.375 2.945 1.00 0.00 C ATOM 1201 C ILE A 73 102.962 1.216 3.190 1.00 0.00 C ATOM 1202 O ILE A 73 102.893 0.270 2.404 1.00 0.00 O ATOM 1203 CB ILE A 73 103.528 3.106 1.643 1.00 0.00 C ATOM 1204 CG1 ILE A 73 104.491 4.269 1.388 1.00 0.00 C ATOM 1205 CG2 ILE A 73 102.090 3.605 1.722 1.00 0.00 C ATOM 1206 CD1 ILE A 73 104.231 5.008 0.094 1.00 0.00 C ATOM 0 H ILE A 73 105.572 1.518 1.994 1.00 0.00 H new ATOM 0 HA ILE A 73 103.846 3.082 3.771 1.00 0.00 H new ATOM 0 HB ILE A 73 103.598 2.406 0.811 1.00 0.00 H new ATOM 0 HG12 ILE A 73 104.422 4.973 2.217 1.00 0.00 H new ATOM 0 HG13 ILE A 73 105.512 3.887 1.378 1.00 0.00 H new ATOM 0 HG21 ILE A 73 101.831 4.118 0.796 1.00 0.00 H new ATOM 0 HG22 ILE A 73 101.419 2.759 1.868 1.00 0.00 H new ATOM 0 HG23 ILE A 73 101.990 4.296 2.559 1.00 0.00 H new ATOM 0 HD11 ILE A 73 104.954 5.817 -0.015 1.00 0.00 H new ATOM 0 HD12 ILE A 73 104.329 4.319 -0.745 1.00 0.00 H new ATOM 0 HD13 ILE A 73 103.223 5.422 0.108 1.00 0.00 H new ATOM 1218 N LYS A 74 102.242 1.285 4.294 1.00 0.00 N ATOM 1219 CA LYS A 74 101.271 0.263 4.637 1.00 0.00 C ATOM 1220 C LYS A 74 99.912 0.617 4.045 1.00 0.00 C ATOM 1221 O LYS A 74 99.429 1.737 4.215 1.00 0.00 O ATOM 1222 CB LYS A 74 101.170 0.137 6.162 1.00 0.00 C ATOM 1223 CG LYS A 74 100.249 -0.975 6.637 1.00 0.00 C ATOM 1224 CD LYS A 74 100.162 -1.005 8.155 1.00 0.00 C ATOM 1225 CE LYS A 74 99.283 -2.144 8.642 1.00 0.00 C ATOM 1226 NZ LYS A 74 99.160 -2.164 10.124 1.00 0.00 N ATOM 0 H LYS A 74 102.312 2.043 4.973 1.00 0.00 H new ATOM 0 HA LYS A 74 101.593 -0.693 4.224 1.00 0.00 H new ATOM 0 HB2 LYS A 74 102.167 -0.034 6.568 1.00 0.00 H new ATOM 0 HB3 LYS A 74 100.818 1.084 6.571 1.00 0.00 H new ATOM 0 HG2 LYS A 74 99.254 -0.832 6.216 1.00 0.00 H new ATOM 0 HG3 LYS A 74 100.615 -1.935 6.272 1.00 0.00 H new ATOM 0 HD2 LYS A 74 101.162 -1.111 8.575 1.00 0.00 H new ATOM 0 HD3 LYS A 74 99.763 -0.057 8.516 1.00 0.00 H new ATOM 0 HE2 LYS A 74 98.292 -2.051 8.198 1.00 0.00 H new ATOM 0 HE3 LYS A 74 99.698 -3.092 8.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 98.552 -2.957 10.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 100.102 -2.279 10.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 98.740 -1.270 10.450 1.00 0.00 H new ATOM 1240 N LYS A 75 99.313 -0.324 3.330 1.00 0.00 N ATOM 1241 CA LYS A 75 97.988 -0.119 2.755 1.00 0.00 C ATOM 1242 C LYS A 75 97.077 -1.290 3.106 1.00 0.00 C ATOM 1243 O LYS A 75 97.552 -2.348 3.524 1.00 0.00 O ATOM 1244 CB LYS A 75 98.071 0.068 1.236 1.00 0.00 C ATOM 1245 CG LYS A 75 98.781 1.350 0.817 1.00 0.00 C ATOM 1246 CD LYS A 75 98.847 1.486 -0.696 1.00 0.00 C ATOM 1247 CE LYS A 75 99.620 2.728 -1.123 1.00 0.00 C ATOM 1248 NZ LYS A 75 98.906 3.993 -0.787 1.00 0.00 N ATOM 0 H LYS A 75 99.722 -1.237 3.133 1.00 0.00 H new ATOM 0 HA LYS A 75 97.566 0.792 3.180 1.00 0.00 H new ATOM 0 HB2 LYS A 75 98.592 -0.785 0.801 1.00 0.00 H new ATOM 0 HB3 LYS A 75 97.062 0.069 0.823 1.00 0.00 H new ATOM 0 HG2 LYS A 75 98.259 2.210 1.237 1.00 0.00 H new ATOM 0 HG3 LYS A 75 99.791 1.358 1.228 1.00 0.00 H new ATOM 0 HD2 LYS A 75 99.321 0.600 -1.120 1.00 0.00 H new ATOM 0 HD3 LYS A 75 97.836 1.531 -1.101 1.00 0.00 H new ATOM 0 HE2 LYS A 75 100.597 2.727 -0.639 1.00 0.00 H new ATOM 0 HE3 LYS A 75 99.797 2.690 -2.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 99.424 4.801 -1.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 97.945 3.966 -1.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 98.850 4.096 0.246 1.00 0.00 H new ATOM 1262 N VAL A 76 95.775 -1.096 2.935 1.00 0.00 N ATOM 1263 CA VAL A 76 94.789 -2.094 3.335 1.00 0.00 C ATOM 1264 C VAL A 76 93.974 -2.556 2.127 1.00 0.00 C ATOM 1265 O VAL A 76 93.755 -1.789 1.190 1.00 0.00 O ATOM 1266 CB VAL A 76 93.849 -1.529 4.430 1.00 0.00 C ATOM 1267 CG1 VAL A 76 93.069 -0.323 3.926 1.00 0.00 C ATOM 1268 CG2 VAL A 76 92.903 -2.601 4.949 1.00 0.00 C ATOM 0 H VAL A 76 95.376 -0.254 2.521 1.00 0.00 H new ATOM 0 HA VAL A 76 95.322 -2.951 3.746 1.00 0.00 H new ATOM 0 HB VAL A 76 94.477 -1.200 5.258 1.00 0.00 H new ATOM 0 HG11 VAL A 76 92.420 0.048 4.719 1.00 0.00 H new ATOM 0 HG12 VAL A 76 93.765 0.462 3.629 1.00 0.00 H new ATOM 0 HG13 VAL A 76 92.463 -0.614 3.068 1.00 0.00 H new ATOM 0 HG21 VAL A 76 92.256 -2.175 5.716 1.00 0.00 H new ATOM 0 HG22 VAL A 76 92.293 -2.977 4.127 1.00 0.00 H new ATOM 0 HG23 VAL A 76 93.481 -3.420 5.376 1.00 0.00 H new ATOM 1278 N TYR A 77 93.549 -3.814 2.141 1.00 0.00 N ATOM 1279 CA TYR A 77 92.777 -4.365 1.038 1.00 0.00 C ATOM 1280 C TYR A 77 91.906 -5.529 1.504 1.00 0.00 C ATOM 1281 O TYR A 77 92.125 -6.098 2.575 1.00 0.00 O ATOM 1282 CB TYR A 77 93.716 -4.844 -0.077 1.00 0.00 C ATOM 1283 CG TYR A 77 94.543 -6.067 0.280 1.00 0.00 C ATOM 1284 CD1 TYR A 77 95.723 -5.953 1.006 1.00 0.00 C ATOM 1285 CD2 TYR A 77 94.140 -7.337 -0.119 1.00 0.00 C ATOM 1286 CE1 TYR A 77 96.474 -7.068 1.326 1.00 0.00 C ATOM 1287 CE2 TYR A 77 94.886 -8.456 0.200 1.00 0.00 C ATOM 1288 CZ TYR A 77 96.051 -8.316 0.921 1.00 0.00 C ATOM 1289 OH TYR A 77 96.796 -9.430 1.234 1.00 0.00 O ATOM 0 H TYR A 77 93.726 -4.469 2.903 1.00 0.00 H new ATOM 0 HA TYR A 77 92.129 -3.576 0.656 1.00 0.00 H new ATOM 0 HB2 TYR A 77 93.123 -5.068 -0.963 1.00 0.00 H new ATOM 0 HB3 TYR A 77 94.390 -4.030 -0.342 1.00 0.00 H new ATOM 0 HD1 TYR A 77 96.058 -4.977 1.325 1.00 0.00 H new ATOM 0 HD2 TYR A 77 93.229 -7.451 -0.688 1.00 0.00 H new ATOM 0 HE1 TYR A 77 97.388 -6.962 1.891 1.00 0.00 H new ATOM 0 HE2 TYR A 77 94.557 -9.435 -0.115 1.00 0.00 H new ATOM 0 HH TYR A 77 96.357 -10.229 0.875 1.00 0.00 H new ATOM 1299 N PHE A 78 90.912 -5.864 0.694 1.00 0.00 N ATOM 1300 CA PHE A 78 90.157 -7.091 0.885 1.00 0.00 C ATOM 1301 C PHE A 78 90.038 -7.814 -0.450 1.00 0.00 C ATOM 1302 O PHE A 78 89.902 -7.183 -1.498 1.00 0.00 O ATOM 1303 CB PHE A 78 88.773 -6.833 1.509 1.00 0.00 C ATOM 1304 CG PHE A 78 87.827 -6.002 0.684 1.00 0.00 C ATOM 1305 CD1 PHE A 78 87.879 -4.619 0.733 1.00 0.00 C ATOM 1306 CD2 PHE A 78 86.865 -6.603 -0.118 1.00 0.00 C ATOM 1307 CE1 PHE A 78 86.998 -3.853 -0.004 1.00 0.00 C ATOM 1308 CE2 PHE A 78 85.981 -5.840 -0.853 1.00 0.00 C ATOM 1309 CZ PHE A 78 86.047 -4.463 -0.796 1.00 0.00 C ATOM 0 H PHE A 78 90.610 -5.302 -0.102 1.00 0.00 H new ATOM 0 HA PHE A 78 90.694 -7.722 1.593 1.00 0.00 H new ATOM 0 HB2 PHE A 78 88.301 -7.795 1.710 1.00 0.00 H new ATOM 0 HB3 PHE A 78 88.915 -6.340 2.471 1.00 0.00 H new ATOM 0 HD1 PHE A 78 88.617 -4.134 1.355 1.00 0.00 H new ATOM 0 HD2 PHE A 78 86.808 -7.680 -0.167 1.00 0.00 H new ATOM 0 HE1 PHE A 78 87.053 -2.775 0.039 1.00 0.00 H new ATOM 0 HE2 PHE A 78 85.238 -6.320 -1.472 1.00 0.00 H new ATOM 0 HZ PHE A 78 85.356 -3.864 -1.370 1.00 0.00 H new ATOM 1319 N GLU A 79 90.120 -9.131 -0.404 1.00 0.00 N ATOM 1320 CA GLU A 79 90.165 -9.936 -1.614 1.00 0.00 C ATOM 1321 C GLU A 79 88.809 -10.568 -1.888 1.00 0.00 C ATOM 1322 O GLU A 79 88.188 -11.128 -0.986 1.00 0.00 O ATOM 1323 CB GLU A 79 91.236 -11.022 -1.472 1.00 0.00 C ATOM 1324 CG GLU A 79 91.467 -11.837 -2.736 1.00 0.00 C ATOM 1325 CD GLU A 79 92.523 -12.908 -2.548 1.00 0.00 C ATOM 1326 OE1 GLU A 79 93.717 -12.561 -2.456 1.00 0.00 O ATOM 1327 OE2 GLU A 79 92.163 -14.104 -2.491 1.00 0.00 O ATOM 0 H GLU A 79 90.157 -9.669 0.462 1.00 0.00 H new ATOM 0 HA GLU A 79 90.417 -9.291 -2.456 1.00 0.00 H new ATOM 0 HB2 GLU A 79 92.175 -10.554 -1.178 1.00 0.00 H new ATOM 0 HB3 GLU A 79 90.949 -11.696 -0.665 1.00 0.00 H new ATOM 0 HG2 GLU A 79 90.530 -12.304 -3.040 1.00 0.00 H new ATOM 0 HG3 GLU A 79 91.769 -11.171 -3.544 1.00 0.00 H new ATOM 1334 N THR A 80 88.350 -10.461 -3.125 1.00 0.00 N ATOM 1335 CA THR A 80 87.099 -11.086 -3.519 1.00 0.00 C ATOM 1336 C THR A 80 87.331 -12.555 -3.845 1.00 0.00 C ATOM 1337 O THR A 80 88.462 -13.046 -3.790 1.00 0.00 O ATOM 1338 CB THR A 80 86.476 -10.382 -4.740 1.00 0.00 C ATOM 1339 OG1 THR A 80 87.335 -10.515 -5.880 1.00 0.00 O ATOM 1340 CG2 THR A 80 86.235 -8.909 -4.452 1.00 0.00 C ATOM 0 H THR A 80 88.823 -9.949 -3.870 1.00 0.00 H new ATOM 0 HA THR A 80 86.406 -10.997 -2.682 1.00 0.00 H new ATOM 0 HB THR A 80 85.518 -10.857 -4.952 1.00 0.00 H new ATOM 0 HG1 THR A 80 86.793 -10.549 -6.696 1.00 0.00 H new ATOM 0 HG21 THR A 80 85.795 -8.434 -5.329 1.00 0.00 H new ATOM 0 HG22 THR A 80 85.555 -8.810 -3.606 1.00 0.00 H new ATOM 0 HG23 THR A 80 87.182 -8.425 -4.214 1.00 0.00 H new ATOM 1348 N LEU A 81 86.269 -13.255 -4.212 1.00 0.00 N ATOM 1349 CA LEU A 81 86.369 -14.674 -4.520 1.00 0.00 C ATOM 1350 C LEU A 81 86.976 -14.884 -5.904 1.00 0.00 C ATOM 1351 O LEU A 81 87.278 -16.010 -6.296 1.00 0.00 O ATOM 1352 CB LEU A 81 84.996 -15.352 -4.433 1.00 0.00 C ATOM 1353 CG LEU A 81 84.362 -15.385 -3.034 1.00 0.00 C ATOM 1354 CD1 LEU A 81 83.772 -14.032 -2.658 1.00 0.00 C ATOM 1355 CD2 LEU A 81 83.299 -16.465 -2.958 1.00 0.00 C ATOM 0 H LEU A 81 85.331 -12.866 -4.304 1.00 0.00 H new ATOM 0 HA LEU A 81 87.025 -15.132 -3.780 1.00 0.00 H new ATOM 0 HB2 LEU A 81 84.313 -14.839 -5.110 1.00 0.00 H new ATOM 0 HB3 LEU A 81 85.092 -16.376 -4.793 1.00 0.00 H new ATOM 0 HG LEU A 81 85.150 -15.616 -2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 81 83.332 -14.091 -1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 81 84.559 -13.278 -2.663 1.00 0.00 H new ATOM 0 HD13 LEU A 81 83.002 -13.758 -3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 81 82.860 -16.474 -1.960 1.00 0.00 H new ATOM 0 HD22 LEU A 81 82.521 -16.262 -3.694 1.00 0.00 H new ATOM 0 HD23 LEU A 81 83.751 -17.435 -3.165 1.00 0.00 H new ATOM 1367 N ASP A 82 87.176 -13.786 -6.624 1.00 0.00 N ATOM 1368 CA ASP A 82 87.738 -13.833 -7.973 1.00 0.00 C ATOM 1369 C ASP A 82 89.234 -13.538 -7.931 1.00 0.00 C ATOM 1370 O ASP A 82 89.869 -13.356 -8.972 1.00 0.00 O ATOM 1371 CB ASP A 82 87.056 -12.808 -8.892 1.00 0.00 C ATOM 1372 CG ASP A 82 85.718 -12.328 -8.370 1.00 0.00 C ATOM 1373 OD1 ASP A 82 84.713 -13.031 -8.555 1.00 0.00 O ATOM 1374 OD2 ASP A 82 85.674 -11.232 -7.767 1.00 0.00 O ATOM 0 H ASP A 82 86.956 -12.846 -6.295 1.00 0.00 H new ATOM 0 HA ASP A 82 87.567 -14.834 -8.368 1.00 0.00 H new ATOM 0 HB2 ASP A 82 87.716 -11.950 -9.020 1.00 0.00 H new ATOM 0 HB3 ASP A 82 86.915 -13.252 -9.877 1.00 0.00 H new ATOM 1379 N ASN A 83 89.780 -13.481 -6.714 1.00 0.00 N ATOM 1380 CA ASN A 83 91.189 -13.136 -6.487 1.00 0.00 C ATOM 1381 C ASN A 83 91.442 -11.675 -6.869 1.00 0.00 C ATOM 1382 O ASN A 83 92.544 -11.286 -7.257 1.00 0.00 O ATOM 1383 CB ASN A 83 92.132 -14.074 -7.262 1.00 0.00 C ATOM 1384 CG ASN A 83 93.594 -13.872 -6.886 1.00 0.00 C ATOM 1385 OD1 ASN A 83 93.912 -13.493 -5.759 1.00 0.00 O ATOM 1386 ND2 ASN A 83 94.493 -14.120 -7.825 1.00 0.00 N ATOM 0 H ASN A 83 89.260 -13.672 -5.858 1.00 0.00 H new ATOM 0 HA ASN A 83 91.402 -13.264 -5.426 1.00 0.00 H new ATOM 0 HB2 ASN A 83 91.850 -15.109 -7.068 1.00 0.00 H new ATOM 0 HB3 ASN A 83 92.009 -13.905 -8.332 1.00 0.00 H new ATOM 0 HD21 ASN A 83 95.486 -13.998 -7.625 1.00 0.00 H new ATOM 0 HD22 ASN A 83 94.193 -14.433 -8.748 1.00 0.00 H new ATOM 1393 N VAL A 84 90.410 -10.860 -6.753 1.00 0.00 N ATOM 1394 CA VAL A 84 90.548 -9.438 -6.991 1.00 0.00 C ATOM 1395 C VAL A 84 90.696 -8.715 -5.661 1.00 0.00 C ATOM 1396 O VAL A 84 89.780 -8.708 -4.838 1.00 0.00 O ATOM 1397 CB VAL A 84 89.350 -8.866 -7.774 1.00 0.00 C ATOM 1398 CG1 VAL A 84 89.536 -7.378 -8.026 1.00 0.00 C ATOM 1399 CG2 VAL A 84 89.169 -9.612 -9.088 1.00 0.00 C ATOM 0 H VAL A 84 89.469 -11.159 -6.496 1.00 0.00 H new ATOM 0 HA VAL A 84 91.438 -9.283 -7.600 1.00 0.00 H new ATOM 0 HB VAL A 84 88.450 -9.001 -7.173 1.00 0.00 H new ATOM 0 HG11 VAL A 84 88.680 -6.993 -8.580 1.00 0.00 H new ATOM 0 HG12 VAL A 84 89.617 -6.855 -7.073 1.00 0.00 H new ATOM 0 HG13 VAL A 84 90.445 -7.218 -8.606 1.00 0.00 H new ATOM 0 HG21 VAL A 84 88.319 -9.196 -9.629 1.00 0.00 H new ATOM 0 HG22 VAL A 84 90.070 -9.508 -9.693 1.00 0.00 H new ATOM 0 HG23 VAL A 84 88.988 -10.668 -8.885 1.00 0.00 H new ATOM 1409 N ARG A 85 91.861 -8.138 -5.443 1.00 0.00 N ATOM 1410 CA ARG A 85 92.164 -7.488 -4.184 1.00 0.00 C ATOM 1411 C ARG A 85 91.871 -5.997 -4.268 1.00 0.00 C ATOM 1412 O ARG A 85 92.546 -5.256 -4.985 1.00 0.00 O ATOM 1413 CB ARG A 85 93.627 -7.742 -3.807 1.00 0.00 C ATOM 1414 CG ARG A 85 93.938 -9.219 -3.615 1.00 0.00 C ATOM 1415 CD ARG A 85 95.414 -9.467 -3.353 1.00 0.00 C ATOM 1416 NE ARG A 85 95.694 -10.889 -3.150 1.00 0.00 N ATOM 1417 CZ ARG A 85 96.830 -11.490 -3.507 1.00 0.00 C ATOM 1418 NH1 ARG A 85 97.803 -10.798 -4.088 1.00 0.00 N ATOM 1419 NH2 ARG A 85 96.994 -12.787 -3.273 1.00 0.00 N ATOM 0 H ARG A 85 92.618 -8.106 -6.126 1.00 0.00 H new ATOM 0 HA ARG A 85 91.528 -7.908 -3.405 1.00 0.00 H new ATOM 0 HB2 ARG A 85 94.274 -7.337 -4.586 1.00 0.00 H new ATOM 0 HB3 ARG A 85 93.859 -7.204 -2.888 1.00 0.00 H new ATOM 0 HG2 ARG A 85 93.353 -9.606 -2.781 1.00 0.00 H new ATOM 0 HG3 ARG A 85 93.631 -9.771 -4.503 1.00 0.00 H new ATOM 0 HD2 ARG A 85 96.001 -9.097 -4.194 1.00 0.00 H new ATOM 0 HD3 ARG A 85 95.727 -8.905 -2.473 1.00 0.00 H new ATOM 0 HE ARG A 85 94.973 -11.458 -2.706 1.00 0.00 H new ATOM 0 HH11 ARG A 85 97.684 -9.800 -4.264 1.00 0.00 H new ATOM 0 HH12 ARG A 85 98.669 -11.264 -4.358 1.00 0.00 H new ATOM 0 HH21 ARG A 85 96.252 -13.322 -2.821 1.00 0.00 H new ATOM 0 HH22 ARG A 85 97.862 -13.249 -3.545 1.00 0.00 H new ATOM 1433 N VAL A 86 90.840 -5.572 -3.557 1.00 0.00 N ATOM 1434 CA VAL A 86 90.456 -4.170 -3.525 1.00 0.00 C ATOM 1435 C VAL A 86 91.330 -3.421 -2.531 1.00 0.00 C ATOM 1436 O VAL A 86 91.158 -3.546 -1.320 1.00 0.00 O ATOM 1437 CB VAL A 86 88.970 -4.000 -3.147 1.00 0.00 C ATOM 1438 CG1 VAL A 86 88.571 -2.532 -3.161 1.00 0.00 C ATOM 1439 CG2 VAL A 86 88.084 -4.804 -4.087 1.00 0.00 C ATOM 0 H VAL A 86 90.250 -6.182 -2.991 1.00 0.00 H new ATOM 0 HA VAL A 86 90.598 -3.758 -4.524 1.00 0.00 H new ATOM 0 HB VAL A 86 88.832 -4.379 -2.134 1.00 0.00 H new ATOM 0 HG11 VAL A 86 87.519 -2.438 -2.891 1.00 0.00 H new ATOM 0 HG12 VAL A 86 89.180 -1.983 -2.443 1.00 0.00 H new ATOM 0 HG13 VAL A 86 88.728 -2.122 -4.159 1.00 0.00 H new ATOM 0 HG21 VAL A 86 87.040 -4.672 -3.805 1.00 0.00 H new ATOM 0 HG22 VAL A 86 88.230 -4.457 -5.110 1.00 0.00 H new ATOM 0 HG23 VAL A 86 88.347 -5.860 -4.021 1.00 0.00 H new ATOM 1449 N VAL A 87 92.274 -2.655 -3.058 1.00 0.00 N ATOM 1450 CA VAL A 87 93.287 -2.005 -2.242 1.00 0.00 C ATOM 1451 C VAL A 87 92.987 -0.521 -2.068 1.00 0.00 C ATOM 1452 O VAL A 87 92.525 0.146 -2.994 1.00 0.00 O ATOM 1453 CB VAL A 87 94.694 -2.159 -2.868 1.00 0.00 C ATOM 1454 CG1 VAL A 87 95.765 -1.575 -1.958 1.00 0.00 C ATOM 1455 CG2 VAL A 87 94.991 -3.618 -3.177 1.00 0.00 C ATOM 0 H VAL A 87 92.359 -2.468 -4.057 1.00 0.00 H new ATOM 0 HA VAL A 87 93.269 -2.494 -1.268 1.00 0.00 H new ATOM 0 HB VAL A 87 94.706 -1.601 -3.804 1.00 0.00 H new ATOM 0 HG11 VAL A 87 96.743 -1.697 -2.423 1.00 0.00 H new ATOM 0 HG12 VAL A 87 95.569 -0.515 -1.799 1.00 0.00 H new ATOM 0 HG13 VAL A 87 95.751 -2.094 -1.000 1.00 0.00 H new ATOM 0 HG21 VAL A 87 95.985 -3.702 -3.616 1.00 0.00 H new ATOM 0 HG22 VAL A 87 94.951 -4.200 -2.257 1.00 0.00 H new ATOM 0 HG23 VAL A 87 94.250 -3.999 -3.880 1.00 0.00 H new ATOM 1465 N THR A 88 93.237 -0.020 -0.871 1.00 0.00 N ATOM 1466 CA THR A 88 93.119 1.396 -0.578 1.00 0.00 C ATOM 1467 C THR A 88 94.154 1.782 0.477 1.00 0.00 C ATOM 1468 O THR A 88 94.574 0.942 1.275 1.00 0.00 O ATOM 1469 CB THR A 88 91.691 1.746 -0.103 1.00 0.00 C ATOM 1470 OG1 THR A 88 90.759 1.431 -1.143 1.00 0.00 O ATOM 1471 CG2 THR A 88 91.558 3.218 0.261 1.00 0.00 C ATOM 0 H THR A 88 93.528 -0.586 -0.074 1.00 0.00 H new ATOM 0 HA THR A 88 93.308 1.964 -1.489 1.00 0.00 H new ATOM 0 HB THR A 88 91.482 1.160 0.792 1.00 0.00 H new ATOM 0 HG1 THR A 88 90.064 0.836 -0.791 1.00 0.00 H new ATOM 0 HG21 THR A 88 90.539 3.421 0.590 1.00 0.00 H new ATOM 0 HG22 THR A 88 92.253 3.458 1.065 1.00 0.00 H new ATOM 0 HG23 THR A 88 91.787 3.831 -0.611 1.00 0.00 H new ATOM 1479 N ASP A 89 94.596 3.030 0.452 1.00 0.00 N ATOM 1480 CA ASP A 89 95.618 3.493 1.380 1.00 0.00 C ATOM 1481 C ASP A 89 95.164 3.350 2.833 1.00 0.00 C ATOM 1482 O ASP A 89 94.043 3.715 3.187 1.00 0.00 O ATOM 1483 CB ASP A 89 95.986 4.943 1.098 1.00 0.00 C ATOM 1484 CG ASP A 89 97.138 5.389 1.959 1.00 0.00 C ATOM 1485 OD1 ASP A 89 98.299 5.188 1.545 1.00 0.00 O ATOM 1486 OD2 ASP A 89 96.888 5.910 3.065 1.00 0.00 O ATOM 0 H ASP A 89 94.264 3.740 -0.200 1.00 0.00 H new ATOM 0 HA ASP A 89 96.497 2.865 1.232 1.00 0.00 H new ATOM 0 HB2 ASP A 89 96.249 5.056 0.046 1.00 0.00 H new ATOM 0 HB3 ASP A 89 95.123 5.582 1.281 1.00 0.00 H new ATOM 1491 N TYR A 90 96.058 2.834 3.668 1.00 0.00 N ATOM 1492 CA TYR A 90 95.742 2.541 5.061 1.00 0.00 C ATOM 1493 C TYR A 90 95.714 3.809 5.910 1.00 0.00 C ATOM 1494 O TYR A 90 94.832 3.972 6.753 1.00 0.00 O ATOM 1495 CB TYR A 90 96.765 1.548 5.617 1.00 0.00 C ATOM 1496 CG TYR A 90 96.548 1.138 7.058 1.00 0.00 C ATOM 1497 CD1 TYR A 90 95.544 0.245 7.405 1.00 0.00 C ATOM 1498 CD2 TYR A 90 97.370 1.625 8.068 1.00 0.00 C ATOM 1499 CE1 TYR A 90 95.364 -0.153 8.716 1.00 0.00 C ATOM 1500 CE2 TYR A 90 97.192 1.236 9.381 1.00 0.00 C ATOM 1501 CZ TYR A 90 96.189 0.347 9.699 1.00 0.00 C ATOM 1502 OH TYR A 90 96.022 -0.053 11.003 1.00 0.00 O ATOM 0 H TYR A 90 97.016 2.608 3.401 1.00 0.00 H new ATOM 0 HA TYR A 90 94.746 2.101 5.102 1.00 0.00 H new ATOM 0 HB2 TYR A 90 96.753 0.653 4.996 1.00 0.00 H new ATOM 0 HB3 TYR A 90 97.759 1.986 5.526 1.00 0.00 H new ATOM 0 HD1 TYR A 90 94.892 -0.146 6.637 1.00 0.00 H new ATOM 0 HD2 TYR A 90 98.160 2.319 7.822 1.00 0.00 H new ATOM 0 HE1 TYR A 90 94.581 -0.852 8.968 1.00 0.00 H new ATOM 0 HE2 TYR A 90 97.836 1.627 10.155 1.00 0.00 H new ATOM 0 HH TYR A 90 96.686 0.393 11.569 1.00 0.00 H new ATOM 1512 N SER A 91 96.663 4.712 5.678 1.00 0.00 N ATOM 1513 CA SER A 91 96.760 5.920 6.486 1.00 0.00 C ATOM 1514 C SER A 91 95.580 6.852 6.223 1.00 0.00 C ATOM 1515 O SER A 91 95.052 7.471 7.149 1.00 0.00 O ATOM 1516 CB SER A 91 98.104 6.632 6.263 1.00 0.00 C ATOM 1517 OG SER A 91 98.437 6.752 4.887 1.00 0.00 O ATOM 0 H SER A 91 97.368 4.631 4.945 1.00 0.00 H new ATOM 0 HA SER A 91 96.718 5.626 7.535 1.00 0.00 H new ATOM 0 HB2 SER A 91 98.064 7.625 6.711 1.00 0.00 H new ATOM 0 HB3 SER A 91 98.892 6.082 6.777 1.00 0.00 H new ATOM 0 HG SER A 91 97.641 6.581 4.342 1.00 0.00 H new ATOM 1523 N GLU A 92 95.144 6.926 4.970 1.00 0.00 N ATOM 1524 CA GLU A 92 93.971 7.719 4.625 1.00 0.00 C ATOM 1525 C GLU A 92 92.691 7.045 5.116 1.00 0.00 C ATOM 1526 O GLU A 92 91.723 7.719 5.466 1.00 0.00 O ATOM 1527 CB GLU A 92 93.895 7.954 3.117 1.00 0.00 C ATOM 1528 CG GLU A 92 94.876 8.999 2.608 1.00 0.00 C ATOM 1529 CD GLU A 92 94.612 10.379 3.184 1.00 0.00 C ATOM 1530 OE1 GLU A 92 93.610 11.017 2.787 1.00 0.00 O ATOM 1531 OE2 GLU A 92 95.406 10.841 4.030 1.00 0.00 O ATOM 0 H GLU A 92 95.582 6.450 4.182 1.00 0.00 H new ATOM 0 HA GLU A 92 94.067 8.684 5.123 1.00 0.00 H new ATOM 0 HB2 GLU A 92 94.083 7.012 2.602 1.00 0.00 H new ATOM 0 HB3 GLU A 92 92.882 8.263 2.857 1.00 0.00 H new ATOM 0 HG2 GLU A 92 95.891 8.692 2.861 1.00 0.00 H new ATOM 0 HG3 GLU A 92 94.819 9.046 1.521 1.00 0.00 H new ATOM 1538 N PHE A 93 92.686 5.716 5.147 1.00 0.00 N ATOM 1539 CA PHE A 93 91.512 4.978 5.598 1.00 0.00 C ATOM 1540 C PHE A 93 91.291 5.161 7.098 1.00 0.00 C ATOM 1541 O PHE A 93 90.185 5.488 7.530 1.00 0.00 O ATOM 1542 CB PHE A 93 91.632 3.491 5.259 1.00 0.00 C ATOM 1543 CG PHE A 93 90.425 2.691 5.666 1.00 0.00 C ATOM 1544 CD1 PHE A 93 89.185 2.948 5.101 1.00 0.00 C ATOM 1545 CD2 PHE A 93 90.530 1.688 6.616 1.00 0.00 C ATOM 1546 CE1 PHE A 93 88.072 2.220 5.478 1.00 0.00 C ATOM 1547 CE2 PHE A 93 89.420 0.957 6.995 1.00 0.00 C ATOM 1548 CZ PHE A 93 88.190 1.223 6.425 1.00 0.00 C ATOM 0 H PHE A 93 93.475 5.132 4.868 1.00 0.00 H new ATOM 0 HA PHE A 93 90.648 5.383 5.070 1.00 0.00 H new ATOM 0 HB2 PHE A 93 91.788 3.381 4.186 1.00 0.00 H new ATOM 0 HB3 PHE A 93 92.514 3.083 5.752 1.00 0.00 H new ATOM 0 HD1 PHE A 93 89.088 3.726 4.358 1.00 0.00 H new ATOM 0 HD2 PHE A 93 91.489 1.475 7.065 1.00 0.00 H new ATOM 0 HE1 PHE A 93 87.111 2.431 5.032 1.00 0.00 H new ATOM 0 HE2 PHE A 93 89.514 0.178 7.737 1.00 0.00 H new ATOM 0 HZ PHE A 93 87.322 0.652 6.720 1.00 0.00 H new ATOM 1558 N GLN A 94 92.342 4.960 7.895 1.00 0.00 N ATOM 1559 CA GLN A 94 92.236 5.143 9.343 1.00 0.00 C ATOM 1560 C GLN A 94 91.926 6.603 9.666 1.00 0.00 C ATOM 1561 O GLN A 94 91.289 6.911 10.674 1.00 0.00 O ATOM 1562 CB GLN A 94 93.515 4.694 10.059 1.00 0.00 C ATOM 1563 CG GLN A 94 94.768 5.425 9.610 1.00 0.00 C ATOM 1564 CD GLN A 94 95.981 5.085 10.454 1.00 0.00 C ATOM 1565 OE1 GLN A 94 96.087 3.990 11.009 1.00 0.00 O ATOM 1566 NE2 GLN A 94 96.908 6.025 10.551 1.00 0.00 N ATOM 0 H GLN A 94 93.265 4.674 7.568 1.00 0.00 H new ATOM 0 HA GLN A 94 91.419 4.518 9.704 1.00 0.00 H new ATOM 0 HB2 GLN A 94 93.388 4.839 11.132 1.00 0.00 H new ATOM 0 HB3 GLN A 94 93.653 3.625 9.896 1.00 0.00 H new ATOM 0 HG2 GLN A 94 94.974 5.177 8.569 1.00 0.00 H new ATOM 0 HG3 GLN A 94 94.591 6.500 9.653 1.00 0.00 H new ATOM 0 HE21 GLN A 94 96.780 6.918 10.075 1.00 0.00 H new ATOM 0 HE22 GLN A 94 97.750 5.856 11.102 1.00 0.00 H new ATOM 1575 N LYS A 95 92.376 7.489 8.787 1.00 0.00 N ATOM 1576 CA LYS A 95 92.048 8.902 8.865 1.00 0.00 C ATOM 1577 C LYS A 95 90.538 9.105 8.759 1.00 0.00 C ATOM 1578 O LYS A 95 89.947 9.840 9.546 1.00 0.00 O ATOM 1579 CB LYS A 95 92.782 9.647 7.745 1.00 0.00 C ATOM 1580 CG LYS A 95 92.174 10.983 7.357 1.00 0.00 C ATOM 1581 CD LYS A 95 92.903 11.562 6.158 1.00 0.00 C ATOM 1582 CE LYS A 95 92.105 12.660 5.483 1.00 0.00 C ATOM 1583 NZ LYS A 95 92.795 13.166 4.267 1.00 0.00 N ATOM 0 H LYS A 95 92.979 7.246 8.001 1.00 0.00 H new ATOM 0 HA LYS A 95 92.368 9.301 9.828 1.00 0.00 H new ATOM 0 HB2 LYS A 95 93.814 9.811 8.054 1.00 0.00 H new ATOM 0 HB3 LYS A 95 92.811 9.008 6.862 1.00 0.00 H new ATOM 0 HG2 LYS A 95 91.117 10.856 7.123 1.00 0.00 H new ATOM 0 HG3 LYS A 95 92.233 11.675 8.197 1.00 0.00 H new ATOM 0 HD2 LYS A 95 93.867 11.958 6.477 1.00 0.00 H new ATOM 0 HD3 LYS A 95 93.107 10.768 5.440 1.00 0.00 H new ATOM 0 HE2 LYS A 95 91.119 12.281 5.212 1.00 0.00 H new ATOM 0 HE3 LYS A 95 91.950 13.481 6.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 92.284 13.993 3.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 93.769 13.440 4.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 92.815 12.419 3.543 1.00 0.00 H new ATOM 1597 N ILE A 96 89.916 8.422 7.804 1.00 0.00 N ATOM 1598 CA ILE A 96 88.478 8.536 7.593 1.00 0.00 C ATOM 1599 C ILE A 96 87.693 7.867 8.720 1.00 0.00 C ATOM 1600 O ILE A 96 86.611 8.331 9.098 1.00 0.00 O ATOM 1601 CB ILE A 96 88.059 7.956 6.226 1.00 0.00 C ATOM 1602 CG1 ILE A 96 88.605 8.850 5.112 1.00 0.00 C ATOM 1603 CG2 ILE A 96 86.543 7.822 6.118 1.00 0.00 C ATOM 1604 CD1 ILE A 96 88.114 8.476 3.737 1.00 0.00 C ATOM 0 H ILE A 96 90.386 7.783 7.163 1.00 0.00 H new ATOM 0 HA ILE A 96 88.238 9.599 7.597 1.00 0.00 H new ATOM 0 HB ILE A 96 88.478 6.955 6.127 1.00 0.00 H new ATOM 0 HG12 ILE A 96 88.326 9.883 5.319 1.00 0.00 H new ATOM 0 HG13 ILE A 96 89.694 8.805 5.124 1.00 0.00 H new ATOM 0 HG21 ILE A 96 86.283 7.411 5.143 1.00 0.00 H new ATOM 0 HG22 ILE A 96 86.180 7.157 6.901 1.00 0.00 H new ATOM 0 HG23 ILE A 96 86.082 8.803 6.233 1.00 0.00 H new ATOM 0 HD11 ILE A 96 88.544 9.155 3.000 1.00 0.00 H new ATOM 0 HD12 ILE A 96 88.416 7.454 3.509 1.00 0.00 H new ATOM 0 HD13 ILE A 96 87.027 8.549 3.707 1.00 0.00 H new ATOM 1616 N LEU A 97 88.246 6.793 9.272 1.00 0.00 N ATOM 1617 CA LEU A 97 87.633 6.127 10.416 1.00 0.00 C ATOM 1618 C LEU A 97 87.448 7.116 11.565 1.00 0.00 C ATOM 1619 O LEU A 97 86.413 7.127 12.233 1.00 0.00 O ATOM 1620 CB LEU A 97 88.490 4.941 10.874 1.00 0.00 C ATOM 1621 CG LEU A 97 88.647 3.817 9.849 1.00 0.00 C ATOM 1622 CD1 LEU A 97 89.561 2.729 10.390 1.00 0.00 C ATOM 1623 CD2 LEU A 97 87.290 3.235 9.478 1.00 0.00 C ATOM 0 H LEU A 97 89.114 6.366 8.948 1.00 0.00 H new ATOM 0 HA LEU A 97 86.656 5.751 10.112 1.00 0.00 H new ATOM 0 HB2 LEU A 97 89.481 5.310 11.139 1.00 0.00 H new ATOM 0 HB3 LEU A 97 88.051 4.525 11.781 1.00 0.00 H new ATOM 0 HG LEU A 97 89.099 4.234 8.949 1.00 0.00 H new ATOM 0 HD11 LEU A 97 89.662 1.937 9.648 1.00 0.00 H new ATOM 0 HD12 LEU A 97 90.542 3.152 10.605 1.00 0.00 H new ATOM 0 HD13 LEU A 97 89.135 2.317 11.305 1.00 0.00 H new ATOM 0 HD21 LEU A 97 87.424 2.437 8.748 1.00 0.00 H new ATOM 0 HD22 LEU A 97 86.810 2.834 10.370 1.00 0.00 H new ATOM 0 HD23 LEU A 97 86.663 4.017 9.050 1.00 0.00 H new ATOM 1635 N LYS A 98 88.452 7.960 11.768 1.00 0.00 N ATOM 1636 CA LYS A 98 88.399 8.990 12.799 1.00 0.00 C ATOM 1637 C LYS A 98 87.607 10.202 12.309 1.00 0.00 C ATOM 1638 O LYS A 98 86.948 10.885 13.091 1.00 0.00 O ATOM 1639 CB LYS A 98 89.817 9.411 13.185 1.00 0.00 C ATOM 1640 CG LYS A 98 90.681 8.252 13.648 1.00 0.00 C ATOM 1641 CD LYS A 98 92.121 8.678 13.868 1.00 0.00 C ATOM 1642 CE LYS A 98 92.993 7.491 14.234 1.00 0.00 C ATOM 1643 NZ LYS A 98 94.416 7.880 14.404 1.00 0.00 N ATOM 0 H LYS A 98 89.318 7.951 11.229 1.00 0.00 H new ATOM 0 HA LYS A 98 87.895 8.581 13.675 1.00 0.00 H new ATOM 0 HB2 LYS A 98 90.292 9.890 12.329 1.00 0.00 H new ATOM 0 HB3 LYS A 98 89.764 10.156 13.979 1.00 0.00 H new ATOM 0 HG2 LYS A 98 90.277 7.844 14.574 1.00 0.00 H new ATOM 0 HG3 LYS A 98 90.647 7.454 12.907 1.00 0.00 H new ATOM 0 HD2 LYS A 98 92.506 9.151 12.964 1.00 0.00 H new ATOM 0 HD3 LYS A 98 92.165 9.424 14.661 1.00 0.00 H new ATOM 0 HE2 LYS A 98 92.627 7.043 15.157 1.00 0.00 H new ATOM 0 HE3 LYS A 98 92.915 6.730 13.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 94.978 7.041 14.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 94.774 8.285 13.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 94.494 8.587 15.163 1.00 0.00 H new ATOM 1657 N LYS A 99 87.685 10.447 11.005 1.00 0.00 N ATOM 1658 CA LYS A 99 86.967 11.543 10.354 1.00 0.00 C ATOM 1659 C LYS A 99 85.468 11.445 10.609 1.00 0.00 C ATOM 1660 O LYS A 99 84.821 12.430 10.961 1.00 0.00 O ATOM 1661 CB LYS A 99 87.258 11.504 8.851 1.00 0.00 C ATOM 1662 CG LYS A 99 86.553 12.565 8.019 1.00 0.00 C ATOM 1663 CD LYS A 99 87.110 12.583 6.600 1.00 0.00 C ATOM 1664 CE LYS A 99 86.411 13.606 5.721 1.00 0.00 C ATOM 1665 NZ LYS A 99 85.161 13.079 5.117 1.00 0.00 N ATOM 0 H LYS A 99 88.250 9.889 10.365 1.00 0.00 H new ATOM 0 HA LYS A 99 87.309 12.490 10.771 1.00 0.00 H new ATOM 0 HB2 LYS A 99 88.333 11.607 8.704 1.00 0.00 H new ATOM 0 HB3 LYS A 99 86.977 10.522 8.470 1.00 0.00 H new ATOM 0 HG2 LYS A 99 85.482 12.364 7.994 1.00 0.00 H new ATOM 0 HG3 LYS A 99 86.683 13.544 8.480 1.00 0.00 H new ATOM 0 HD2 LYS A 99 88.177 12.804 6.633 1.00 0.00 H new ATOM 0 HD3 LYS A 99 87.003 11.593 6.157 1.00 0.00 H new ATOM 0 HE2 LYS A 99 86.179 14.491 6.313 1.00 0.00 H new ATOM 0 HE3 LYS A 99 87.089 13.922 4.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 84.629 13.860 4.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 85.397 12.375 4.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 84.580 12.632 5.855 1.00 0.00 H new ATOM 1679 N ARG A 100 84.918 10.252 10.437 1.00 0.00 N ATOM 1680 CA ARG A 100 83.497 10.035 10.664 1.00 0.00 C ATOM 1681 C ARG A 100 83.227 9.515 12.072 1.00 0.00 C ATOM 1682 O ARG A 100 82.087 9.535 12.540 1.00 0.00 O ATOM 1683 CB ARG A 100 82.932 9.075 9.620 1.00 0.00 C ATOM 1684 CG ARG A 100 82.791 9.711 8.247 1.00 0.00 C ATOM 1685 CD ARG A 100 82.290 8.723 7.205 1.00 0.00 C ATOM 1686 NE ARG A 100 81.062 8.043 7.621 1.00 0.00 N ATOM 1687 CZ ARG A 100 79.843 8.584 7.561 1.00 0.00 C ATOM 1688 NH1 ARG A 100 79.680 9.843 7.169 1.00 0.00 N ATOM 1689 NH2 ARG A 100 78.783 7.858 7.894 1.00 0.00 N ATOM 0 H ARG A 100 85.432 9.422 10.142 1.00 0.00 H new ATOM 0 HA ARG A 100 82.994 10.997 10.566 1.00 0.00 H new ATOM 0 HB2 ARG A 100 83.582 8.203 9.546 1.00 0.00 H new ATOM 0 HB3 ARG A 100 81.957 8.718 9.952 1.00 0.00 H new ATOM 0 HG2 ARG A 100 82.102 10.553 8.308 1.00 0.00 H new ATOM 0 HG3 ARG A 100 83.755 10.110 7.933 1.00 0.00 H new ATOM 0 HD2 ARG A 100 82.110 9.249 6.267 1.00 0.00 H new ATOM 0 HD3 ARG A 100 83.064 7.981 7.011 1.00 0.00 H new ATOM 0 HE ARG A 100 81.143 7.092 7.981 1.00 0.00 H new ATOM 0 HH11 ARG A 100 80.491 10.406 6.910 1.00 0.00 H new ATOM 0 HH12 ARG A 100 78.744 10.247 7.127 1.00 0.00 H new ATOM 0 HH21 ARG A 100 78.901 6.890 8.194 1.00 0.00 H new ATOM 0 HH22 ARG A 100 77.850 8.268 7.850 1.00 0.00 H new ATOM 1703 N GLY A 101 84.277 9.063 12.749 1.00 0.00 N ATOM 1704 CA GLY A 101 84.123 8.548 14.095 1.00 0.00 C ATOM 1705 C GLY A 101 83.464 7.187 14.103 1.00 0.00 C ATOM 1706 O GLY A 101 82.334 7.032 14.568 1.00 0.00 O ATOM 0 H GLY A 101 85.231 9.044 12.389 1.00 0.00 H new ATOM 0 HA2 GLY A 101 85.100 8.481 14.573 1.00 0.00 H new ATOM 0 HA3 GLY A 101 83.527 9.244 14.685 1.00 0.00 H new ATOM 1710 N THR A 102 84.167 6.200 13.577 1.00 0.00 N ATOM 1711 CA THR A 102 83.624 4.859 13.456 1.00 0.00 C ATOM 1712 C THR A 102 83.983 4.011 14.673 1.00 0.00 C ATOM 1713 O THR A 102 85.094 3.487 14.767 1.00 0.00 O ATOM 1714 CB THR A 102 84.139 4.177 12.174 1.00 0.00 C ATOM 1715 OG1 THR A 102 83.996 5.076 11.063 1.00 0.00 O ATOM 1716 CG2 THR A 102 83.374 2.892 11.892 1.00 0.00 C ATOM 0 H THR A 102 85.119 6.303 13.226 1.00 0.00 H new ATOM 0 HA THR A 102 82.539 4.945 13.400 1.00 0.00 H new ATOM 0 HB THR A 102 85.190 3.925 12.316 1.00 0.00 H new ATOM 0 HG1 THR A 102 84.699 4.896 10.404 1.00 0.00 H new ATOM 0 HG21 THR A 102 83.758 2.432 10.982 1.00 0.00 H new ATOM 0 HG22 THR A 102 83.499 2.203 12.727 1.00 0.00 H new ATOM 0 HG23 THR A 102 82.316 3.119 11.765 1.00 0.00 H new ATOM 1724 N LYS A 103 83.040 3.919 15.615 1.00 0.00 N ATOM 1725 CA LYS A 103 83.185 3.070 16.800 1.00 0.00 C ATOM 1726 C LYS A 103 84.431 3.446 17.595 1.00 0.00 C ATOM 1727 O LYS A 103 85.405 2.691 17.654 1.00 0.00 O ATOM 1728 CB LYS A 103 83.223 1.595 16.392 1.00 0.00 C ATOM 1729 CG LYS A 103 81.990 1.170 15.618 1.00 0.00 C ATOM 1730 CD LYS A 103 82.045 -0.288 15.210 1.00 0.00 C ATOM 1731 CE LYS A 103 80.749 -0.705 14.538 1.00 0.00 C ATOM 1732 NZ LYS A 103 80.761 -2.131 14.131 1.00 0.00 N ATOM 0 H LYS A 103 82.158 4.429 15.578 1.00 0.00 H new ATOM 0 HA LYS A 103 82.321 3.230 17.445 1.00 0.00 H new ATOM 0 HB2 LYS A 103 84.109 1.413 15.784 1.00 0.00 H new ATOM 0 HB3 LYS A 103 83.317 0.977 17.285 1.00 0.00 H new ATOM 0 HG2 LYS A 103 81.103 1.342 16.228 1.00 0.00 H new ATOM 0 HG3 LYS A 103 81.890 1.791 14.728 1.00 0.00 H new ATOM 0 HD2 LYS A 103 82.882 -0.449 14.530 1.00 0.00 H new ATOM 0 HD3 LYS A 103 82.222 -0.910 16.087 1.00 0.00 H new ATOM 0 HE2 LYS A 103 79.916 -0.531 15.219 1.00 0.00 H new ATOM 0 HE3 LYS A 103 80.579 -0.080 13.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 79.877 -2.357 13.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 81.569 -2.305 13.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 80.845 -2.732 14.975 1.00 0.00 H new ATOM 1746 N LEU A 104 84.379 4.612 18.221 1.00 0.00 N ATOM 1747 CA LEU A 104 85.546 5.193 18.866 1.00 0.00 C ATOM 1748 C LEU A 104 85.908 4.482 20.169 1.00 0.00 C ATOM 1749 O LEU A 104 85.121 3.711 20.722 1.00 0.00 O ATOM 1750 CB LEU A 104 85.315 6.681 19.118 1.00 0.00 C ATOM 1751 CG LEU A 104 85.122 7.519 17.852 1.00 0.00 C ATOM 1752 CD1 LEU A 104 84.824 8.965 18.206 1.00 0.00 C ATOM 1753 CD2 LEU A 104 86.355 7.434 16.964 1.00 0.00 C ATOM 0 H LEU A 104 83.534 5.178 18.296 1.00 0.00 H new ATOM 0 HA LEU A 104 86.391 5.064 18.189 1.00 0.00 H new ATOM 0 HB2 LEU A 104 84.436 6.797 19.752 1.00 0.00 H new ATOM 0 HB3 LEU A 104 86.164 7.078 19.675 1.00 0.00 H new ATOM 0 HG LEU A 104 84.270 7.117 17.303 1.00 0.00 H new ATOM 0 HD11 LEU A 104 84.690 9.543 17.292 1.00 0.00 H new ATOM 0 HD12 LEU A 104 83.913 9.013 18.802 1.00 0.00 H new ATOM 0 HD13 LEU A 104 85.655 9.378 18.778 1.00 0.00 H new ATOM 0 HD21 LEU A 104 86.201 8.036 16.068 1.00 0.00 H new ATOM 0 HD22 LEU A 104 87.222 7.809 17.508 1.00 0.00 H new ATOM 0 HD23 LEU A 104 86.527 6.396 16.679 1.00 0.00 H new ATOM 1765 N GLU A 105 87.110 4.775 20.653 1.00 0.00 N ATOM 1766 CA GLU A 105 87.680 4.106 21.818 1.00 0.00 C ATOM 1767 C GLU A 105 87.107 4.640 23.129 1.00 0.00 C ATOM 1768 O GLU A 105 87.148 3.959 24.152 1.00 0.00 O ATOM 1769 CB GLU A 105 89.195 4.297 21.814 1.00 0.00 C ATOM 1770 CG GLU A 105 89.607 5.758 21.709 1.00 0.00 C ATOM 1771 CD GLU A 105 91.100 5.959 21.817 1.00 0.00 C ATOM 1772 OE1 GLU A 105 91.815 5.674 20.836 1.00 0.00 O ATOM 1773 OE2 GLU A 105 91.567 6.404 22.882 1.00 0.00 O ATOM 0 H GLU A 105 87.719 5.486 20.247 1.00 0.00 H new ATOM 0 HA GLU A 105 87.424 3.049 21.753 1.00 0.00 H new ATOM 0 HB2 GLU A 105 89.612 3.872 22.727 1.00 0.00 H new ATOM 0 HB3 GLU A 105 89.624 3.743 20.979 1.00 0.00 H new ATOM 0 HG2 GLU A 105 89.260 6.160 20.757 1.00 0.00 H new ATOM 0 HG3 GLU A 105 89.111 6.327 22.496 1.00 0.00 H new ATOM 1780 N HIS A 106 86.563 5.850 23.099 1.00 0.00 N ATOM 1781 CA HIS A 106 86.109 6.508 24.321 1.00 0.00 C ATOM 1782 C HIS A 106 84.687 6.086 24.678 1.00 0.00 C ATOM 1783 O HIS A 106 84.007 6.739 25.465 1.00 0.00 O ATOM 1784 CB HIS A 106 86.211 8.029 24.188 1.00 0.00 C ATOM 1785 CG HIS A 106 87.624 8.518 24.056 1.00 0.00 C ATOM 1786 ND1 HIS A 106 87.989 9.568 23.242 1.00 0.00 N ATOM 1787 CD2 HIS A 106 88.767 8.090 24.646 1.00 0.00 C ATOM 1788 CE1 HIS A 106 89.293 9.763 23.333 1.00 0.00 C ATOM 1789 NE2 HIS A 106 89.790 8.878 24.178 1.00 0.00 N ATOM 0 H HIS A 106 86.425 6.395 22.248 1.00 0.00 H new ATOM 0 HA HIS A 106 86.763 6.193 25.134 1.00 0.00 H new ATOM 0 HB2 HIS A 106 85.639 8.350 23.317 1.00 0.00 H new ATOM 0 HB3 HIS A 106 85.752 8.495 25.060 1.00 0.00 H new ATOM 0 HD2 HIS A 106 88.857 7.279 25.354 1.00 0.00 H new ATOM 0 HE1 HIS A 106 89.857 10.518 22.806 1.00 0.00 H new ATOM 0 HE2 HIS A 106 90.772 8.794 24.440 1.00 0.00 H new ATOM 1798 N HIS A 107 84.250 4.984 24.088 1.00 0.00 N ATOM 1799 CA HIS A 107 82.983 4.366 24.445 1.00 0.00 C ATOM 1800 C HIS A 107 83.236 2.940 24.904 1.00 0.00 C ATOM 1801 O HIS A 107 83.916 2.177 24.216 1.00 0.00 O ATOM 1802 CB HIS A 107 82.005 4.357 23.263 1.00 0.00 C ATOM 1803 CG HIS A 107 81.433 5.698 22.929 1.00 0.00 C ATOM 1804 ND1 HIS A 107 80.258 6.169 23.471 1.00 0.00 N ATOM 1805 CD2 HIS A 107 81.870 6.666 22.089 1.00 0.00 C ATOM 1806 CE1 HIS A 107 79.998 7.365 22.980 1.00 0.00 C ATOM 1807 NE2 HIS A 107 80.962 7.692 22.142 1.00 0.00 N ATOM 0 H HIS A 107 84.760 4.495 23.352 1.00 0.00 H new ATOM 0 HA HIS A 107 82.533 4.950 25.248 1.00 0.00 H new ATOM 0 HB2 HIS A 107 82.518 3.964 22.385 1.00 0.00 H new ATOM 0 HB3 HIS A 107 81.188 3.672 23.488 1.00 0.00 H new ATOM 0 HD2 HIS A 107 82.767 6.636 21.489 1.00 0.00 H new ATOM 0 HE1 HIS A 107 79.140 7.974 23.223 1.00 0.00 H new ATOM 0 HE2 HIS A 107 81.022 8.565 21.619 1.00 0.00 H new ATOM 1816 N HIS A 108 82.677 2.577 26.050 1.00 0.00 N ATOM 1817 CA HIS A 108 82.873 1.243 26.626 1.00 0.00 C ATOM 1818 C HIS A 108 82.010 0.208 25.905 1.00 0.00 C ATOM 1819 O HIS A 108 81.422 -0.684 26.523 1.00 0.00 O ATOM 1820 CB HIS A 108 82.554 1.261 28.125 1.00 0.00 C ATOM 1821 CG HIS A 108 83.599 1.950 28.957 1.00 0.00 C ATOM 1822 ND1 HIS A 108 83.762 1.717 30.305 1.00 0.00 N ATOM 1823 CD2 HIS A 108 84.540 2.864 28.622 1.00 0.00 C ATOM 1824 CE1 HIS A 108 84.756 2.454 30.761 1.00 0.00 C ATOM 1825 NE2 HIS A 108 85.246 3.159 29.760 1.00 0.00 N ATOM 0 H HIS A 108 82.079 3.188 26.606 1.00 0.00 H new ATOM 0 HA HIS A 108 83.918 0.961 26.495 1.00 0.00 H new ATOM 0 HB2 HIS A 108 81.596 1.757 28.278 1.00 0.00 H new ATOM 0 HB3 HIS A 108 82.441 0.235 28.476 1.00 0.00 H new ATOM 0 HD2 HIS A 108 84.704 3.283 27.640 1.00 0.00 H new ATOM 0 HE1 HIS A 108 85.109 2.476 31.781 1.00 0.00 H new ATOM 0 HE2 HIS A 108 86.023 3.816 29.822 1.00 0.00 H new ATOM 1834 N HIS A 109 81.975 0.332 24.586 1.00 0.00 N ATOM 1835 CA HIS A 109 81.209 -0.548 23.717 1.00 0.00 C ATOM 1836 C HIS A 109 81.547 -0.237 22.258 1.00 0.00 C ATOM 1837 O HIS A 109 81.132 -0.957 21.350 1.00 0.00 O ATOM 1838 CB HIS A 109 79.703 -0.365 23.961 1.00 0.00 C ATOM 1839 CG HIS A 109 78.842 -1.398 23.296 1.00 0.00 C ATOM 1840 ND1 HIS A 109 77.980 -1.114 22.258 1.00 0.00 N ATOM 1841 CD2 HIS A 109 78.708 -2.722 23.535 1.00 0.00 C ATOM 1842 CE1 HIS A 109 77.355 -2.216 21.892 1.00 0.00 C ATOM 1843 NE2 HIS A 109 77.778 -3.206 22.652 1.00 0.00 N ATOM 0 H HIS A 109 82.486 1.058 24.083 1.00 0.00 H new ATOM 0 HA HIS A 109 81.469 -1.583 23.938 1.00 0.00 H new ATOM 0 HB2 HIS A 109 79.515 -0.388 25.034 1.00 0.00 H new ATOM 0 HB3 HIS A 109 79.406 0.622 23.606 1.00 0.00 H new ATOM 0 HD1 HIS A 109 77.846 -0.194 21.838 1.00 0.00 H new ATOM 0 HD2 HIS A 109 79.237 -3.293 24.284 1.00 0.00 H new ATOM 0 HE1 HIS A 109 76.621 -2.294 21.103 1.00 0.00 H new ATOM 1852 N HIS A 110 82.325 0.840 22.057 1.00 0.00 N ATOM 1853 CA HIS A 110 82.666 1.362 20.724 1.00 0.00 C ATOM 1854 C HIS A 110 81.445 1.953 20.031 1.00 0.00 C ATOM 1855 O HIS A 110 81.408 3.146 19.735 1.00 0.00 O ATOM 1856 CB HIS A 110 83.312 0.292 19.835 1.00 0.00 C ATOM 1857 CG HIS A 110 84.748 0.033 20.155 1.00 0.00 C ATOM 1858 ND1 HIS A 110 85.788 0.656 19.497 1.00 0.00 N ATOM 1859 CD2 HIS A 110 85.319 -0.783 21.069 1.00 0.00 C ATOM 1860 CE1 HIS A 110 86.935 0.232 19.994 1.00 0.00 C ATOM 1861 NE2 HIS A 110 86.676 -0.639 20.949 1.00 0.00 N ATOM 0 H HIS A 110 82.737 1.376 22.821 1.00 0.00 H new ATOM 0 HA HIS A 110 83.397 2.156 20.878 1.00 0.00 H new ATOM 0 HB2 HIS A 110 82.753 -0.638 19.936 1.00 0.00 H new ATOM 0 HB3 HIS A 110 83.231 0.601 18.793 1.00 0.00 H new ATOM 0 HD1 HIS A 110 85.687 1.337 18.745 1.00 0.00 H new ATOM 0 HD2 HIS A 110 84.802 -1.428 21.764 1.00 0.00 H new ATOM 0 HE1 HIS A 110 87.918 0.545 19.673 1.00 0.00 H new ATOM 1870 N HIS A 111 80.457 1.114 19.775 1.00 0.00 N ATOM 1871 CA HIS A 111 79.220 1.545 19.156 1.00 0.00 C ATOM 1872 C HIS A 111 78.054 0.804 19.792 1.00 0.00 C ATOM 1873 O HIS A 111 77.594 1.240 20.867 1.00 0.00 O ATOM 1874 CB HIS A 111 79.265 1.292 17.648 1.00 0.00 C ATOM 1875 CG HIS A 111 78.060 1.783 16.910 1.00 0.00 C ATOM 1876 ND1 HIS A 111 77.215 0.946 16.222 1.00 0.00 N ATOM 1877 CD2 HIS A 111 77.575 3.032 16.733 1.00 0.00 C ATOM 1878 CE1 HIS A 111 76.262 1.655 15.653 1.00 0.00 C ATOM 1879 NE2 HIS A 111 76.455 2.926 15.947 1.00 0.00 N ATOM 1880 OXT HIS A 111 77.623 -0.224 19.237 1.00 0.00 O ATOM 0 H HIS A 111 80.491 0.118 19.990 1.00 0.00 H new ATOM 0 HA HIS A 111 79.089 2.615 19.314 1.00 0.00 H new ATOM 0 HB2 HIS A 111 80.152 1.774 17.236 1.00 0.00 H new ATOM 0 HB3 HIS A 111 79.374 0.222 17.473 1.00 0.00 H new ATOM 0 HD2 HIS A 111 77.991 3.944 17.135 1.00 0.00 H new ATOM 0 HE1 HIS A 111 75.458 1.262 15.048 1.00 0.00 H new ATOM 0 HE2 HIS A 111 75.869 3.702 15.641 1.00 0.00 H new TER 1889 HIS A 111