USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 770 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 35 ASN : amide:sc= -1.66 K(o=-2.4,f=-7.5!) USER MOD Set 1.2: A 38 TYR OH : rot -4:sc= 0.356 USER MOD Set 1.3: A 55 HIS : no HE2:sc= -1.08 K(o=-2.4,f=-3.2) USER MOD Set 2.1: A 53 THR OG1 : rot 145:sc= 0.00147 USER MOD Set 2.2: A 62 HIS : no HD1:sc= -0.487 X(o=-0.49,f=-0.085) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -108:sc= 1.28 (180deg=-0.67) USER MOD Single : A 2 GLN : amide:sc= -1.01 K(o=-1,f=-3.5!) USER MOD Single : A 4 ASN : amide:sc= -0.0316 K(o=-0.032,f=-3.4!) USER MOD Single : A 6 THR OG1 : rot -170:sc= -2.47! USER MOD Single : A 8 ASN : amide:sc= -2.31 K(o=-2.3,f=-8.9!) USER MOD Single : A 9 ASN : amide:sc= -0.173 X(o=-0.17,f=-0.0037) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.161 USER MOD Single : A 21 THR OG1 : rot 81:sc= 0.12 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.0897 K(o=-0.09,f=-2.6!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 171:sc= -0.0415 (180deg=-0.0904) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.317 X(o=-0.32,f=-0.011) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -30:sc= -2.32! USER MOD Single : A 57 ASN : amide:sc= -2.19 K(o=-2.2,f=-7.5!) USER MOD Single : A 64 SER OG : rot 180:sc= -0.0613 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.402 F(o=-1,f=-0.4) USER MOD Single : A 70 MET CE :methyl 179:sc= -8.33! (180deg=-8.69!) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -108:sc= 0.508 (180deg=-0.19) USER MOD Single : A 84 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.014) USER MOD Single : A 86 THR OG1 : rot -68:sc= 0.775 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS :FLIP no HE2:sc= -7.47! C(o=-12!,f=-7.5!) USER MOD Single : A 89 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.218) USER MOD Single : A 91 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00602) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 95 HIS : no HD1:sc= -0.757 X(o=-0.76,f=-0.72) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.120 -11.965 -6.959 1.00 0.00 N ATOM 2 CA MET A 1 3.721 -11.828 -7.437 1.00 0.00 C ATOM 3 C MET A 1 2.751 -12.572 -6.523 1.00 0.00 C ATOM 4 O MET A 1 2.807 -13.796 -6.411 1.00 0.00 O ATOM 5 CB MET A 1 3.634 -12.383 -8.861 1.00 0.00 C ATOM 6 CG MET A 1 4.291 -13.743 -9.025 1.00 0.00 C ATOM 7 SD MET A 1 6.052 -13.624 -9.397 1.00 0.00 S ATOM 8 CE MET A 1 6.685 -15.037 -8.499 1.00 0.00 C ATOM 0 H1 MET A 1 5.441 -11.059 -6.562 1.00 0.00 H new ATOM 0 H2 MET A 1 5.166 -12.701 -6.225 1.00 0.00 H new ATOM 0 H3 MET A 1 5.734 -12.231 -7.755 1.00 0.00 H new ATOM 0 HA MET A 1 3.442 -10.774 -7.426 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.585 -12.458 -9.149 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.103 -11.677 -9.546 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.155 -14.320 -8.111 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.791 -14.290 -9.824 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.765 -15.098 -8.632 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.455 -14.927 -7.439 1.00 0.00 H new ATOM 0 HE3 MET A 1 6.220 -15.947 -8.878 1.00 0.00 H new ATOM 20 N GLN A 2 1.857 -11.823 -5.884 1.00 0.00 N ATOM 21 CA GLN A 2 0.861 -12.404 -4.985 1.00 0.00 C ATOM 22 C GLN A 2 0.034 -11.315 -4.304 1.00 0.00 C ATOM 23 O GLN A 2 -0.390 -11.475 -3.159 1.00 0.00 O ATOM 24 CB GLN A 2 1.533 -13.272 -3.918 1.00 0.00 C ATOM 25 CG GLN A 2 0.636 -14.376 -3.379 1.00 0.00 C ATOM 26 CD GLN A 2 0.332 -15.442 -4.414 1.00 0.00 C ATOM 27 OE1 GLN A 2 -0.336 -15.179 -5.414 1.00 0.00 O ATOM 28 NE2 GLN A 2 0.821 -16.653 -4.176 1.00 0.00 N ATOM 0 H GLN A 2 1.801 -10.808 -5.972 1.00 0.00 H new ATOM 0 HA GLN A 2 0.199 -13.025 -5.589 1.00 0.00 H new ATOM 0 HB2 GLN A 2 2.433 -13.720 -4.339 1.00 0.00 H new ATOM 0 HB3 GLN A 2 1.850 -12.637 -3.091 1.00 0.00 H new ATOM 0 HG2 GLN A 2 1.115 -14.839 -2.517 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -0.299 -13.940 -3.028 1.00 0.00 H new ATOM 0 HE21 GLN A 2 1.370 -16.825 -3.333 1.00 0.00 H new ATOM 0 HE22 GLN A 2 0.648 -17.411 -4.836 1.00 0.00 H new ATOM 37 N LEU A 3 -0.193 -10.209 -5.008 1.00 0.00 N ATOM 38 CA LEU A 3 -0.969 -9.107 -4.455 1.00 0.00 C ATOM 39 C LEU A 3 -2.424 -9.191 -4.905 1.00 0.00 C ATOM 40 O LEU A 3 -2.709 -9.406 -6.084 1.00 0.00 O ATOM 41 CB LEU A 3 -0.363 -7.760 -4.864 1.00 0.00 C ATOM 42 CG LEU A 3 -0.487 -7.406 -6.349 1.00 0.00 C ATOM 43 CD1 LEU A 3 -0.727 -5.914 -6.524 1.00 0.00 C ATOM 44 CD2 LEU A 3 0.763 -7.839 -7.104 1.00 0.00 C ATOM 0 H LEU A 3 0.148 -10.054 -5.957 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.939 -9.185 -3.368 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.841 -6.974 -4.280 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.693 -7.760 -4.595 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.342 -7.941 -6.762 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.812 -5.681 -7.585 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -1.649 -5.632 -6.015 1.00 0.00 H new ATOM 0 HD13 LEU A 3 0.108 -5.359 -6.097 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.659 -7.581 -8.158 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.633 -7.330 -6.689 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.892 -8.917 -7.006 1.00 0.00 H new ATOM 56 N ASN A 4 -3.343 -9.032 -3.959 1.00 0.00 N ATOM 57 CA ASN A 4 -4.767 -9.098 -4.264 1.00 0.00 C ATOM 58 C ASN A 4 -5.523 -7.955 -3.596 1.00 0.00 C ATOM 59 O ASN A 4 -5.236 -7.588 -2.457 1.00 0.00 O ATOM 60 CB ASN A 4 -5.342 -10.441 -3.812 1.00 0.00 C ATOM 61 CG ASN A 4 -6.657 -10.764 -4.495 1.00 0.00 C ATOM 62 OD1 ASN A 4 -7.117 -10.025 -5.364 1.00 0.00 O ATOM 63 ND2 ASN A 4 -7.269 -11.876 -4.104 1.00 0.00 N ATOM 0 H ASN A 4 -3.128 -8.857 -2.977 1.00 0.00 H new ATOM 0 HA ASN A 4 -4.887 -9.003 -5.343 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -4.622 -11.231 -4.023 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.490 -10.425 -2.732 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -8.156 -12.146 -4.528 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -6.852 -12.460 -3.379 1.00 0.00 H new ATOM 70 N ILE A 5 -6.496 -7.402 -4.312 1.00 0.00 N ATOM 71 CA ILE A 5 -7.301 -6.305 -3.790 1.00 0.00 C ATOM 72 C ILE A 5 -8.763 -6.715 -3.675 1.00 0.00 C ATOM 73 O ILE A 5 -9.243 -7.554 -4.440 1.00 0.00 O ATOM 74 CB ILE A 5 -7.211 -5.049 -4.682 1.00 0.00 C ATOM 75 CG1 ILE A 5 -5.814 -4.913 -5.292 1.00 0.00 C ATOM 76 CG2 ILE A 5 -7.565 -3.806 -3.880 1.00 0.00 C ATOM 77 CD1 ILE A 5 -5.677 -3.728 -6.223 1.00 0.00 C ATOM 0 H ILE A 5 -6.746 -7.696 -5.256 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.901 -6.067 -2.804 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.928 -5.155 -5.496 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.083 -4.821 -4.489 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.574 -5.825 -5.839 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -7.497 -2.927 -4.522 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.581 -3.898 -3.496 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.871 -3.701 -3.046 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.662 -3.692 -6.619 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.385 -3.828 -7.046 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.885 -2.809 -5.675 1.00 0.00 H new ATOM 89 N THR A 6 -9.474 -6.116 -2.726 1.00 0.00 N ATOM 90 CA THR A 6 -10.885 -6.418 -2.524 1.00 0.00 C ATOM 91 C THR A 6 -11.729 -5.165 -2.728 1.00 0.00 C ATOM 92 O THR A 6 -11.562 -4.171 -2.018 1.00 0.00 O ATOM 93 CB THR A 6 -11.114 -6.982 -1.120 1.00 0.00 C ATOM 94 OG1 THR A 6 -9.985 -7.717 -0.685 1.00 0.00 O ATOM 95 CG2 THR A 6 -12.318 -7.894 -1.032 1.00 0.00 C ATOM 0 H THR A 6 -9.096 -5.419 -2.085 1.00 0.00 H new ATOM 0 HA THR A 6 -11.186 -7.168 -3.256 1.00 0.00 H new ATOM 0 HB THR A 6 -11.288 -6.114 -0.484 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.206 -8.199 0.139 1.00 0.00 H new ATOM 0 HG21 THR A 6 -12.424 -8.259 -0.011 1.00 0.00 H new ATOM 0 HG22 THR A 6 -13.214 -7.342 -1.314 1.00 0.00 H new ATOM 0 HG23 THR A 6 -12.185 -8.739 -1.708 1.00 0.00 H new ATOM 103 N GLY A 7 -12.628 -5.212 -3.704 1.00 0.00 N ATOM 104 CA GLY A 7 -13.475 -4.069 -3.983 1.00 0.00 C ATOM 105 C GLY A 7 -14.866 -4.210 -3.402 1.00 0.00 C ATOM 106 O GLY A 7 -15.660 -5.029 -3.866 1.00 0.00 O ATOM 0 H GLY A 7 -12.785 -6.020 -4.306 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.008 -3.170 -3.580 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.550 -3.933 -5.062 1.00 0.00 H new ATOM 110 N ASN A 8 -15.167 -3.399 -2.392 1.00 0.00 N ATOM 111 CA ASN A 8 -16.478 -3.424 -1.754 1.00 0.00 C ATOM 112 C ASN A 8 -17.235 -2.138 -2.057 1.00 0.00 C ATOM 113 O ASN A 8 -16.883 -1.068 -1.560 1.00 0.00 O ATOM 114 CB ASN A 8 -16.334 -3.603 -0.238 1.00 0.00 C ATOM 115 CG ASN A 8 -15.172 -2.813 0.334 1.00 0.00 C ATOM 116 OD1 ASN A 8 -14.613 -1.941 -0.330 1.00 0.00 O ATOM 117 ND2 ASN A 8 -14.800 -3.119 1.572 1.00 0.00 N ATOM 0 H ASN A 8 -14.520 -2.716 -1.998 1.00 0.00 H new ATOM 0 HA ASN A 8 -17.040 -4.268 -2.153 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -17.257 -3.290 0.251 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -16.196 -4.660 -0.012 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -14.022 -2.623 2.008 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -15.292 -3.850 2.086 1.00 0.00 H new ATOM 124 N ASN A 9 -18.269 -2.243 -2.886 1.00 0.00 N ATOM 125 CA ASN A 9 -19.063 -1.080 -3.264 1.00 0.00 C ATOM 126 C ASN A 9 -18.213 -0.088 -4.051 1.00 0.00 C ATOM 127 O ASN A 9 -18.414 1.124 -3.968 1.00 0.00 O ATOM 128 CB ASN A 9 -19.644 -0.399 -2.021 1.00 0.00 C ATOM 129 CG ASN A 9 -20.906 0.385 -2.327 1.00 0.00 C ATOM 130 OD1 ASN A 9 -22.002 -0.172 -2.363 1.00 0.00 O ATOM 131 ND2 ASN A 9 -20.755 1.685 -2.550 1.00 0.00 N ATOM 0 H ASN A 9 -18.576 -3.120 -3.308 1.00 0.00 H new ATOM 0 HA ASN A 9 -19.885 -1.418 -3.895 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -19.863 -1.154 -1.266 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -18.897 0.271 -1.595 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -21.568 2.264 -2.762 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -19.826 2.105 -2.510 1.00 0.00 H new ATOM 138 N VAL A 10 -17.261 -0.616 -4.817 1.00 0.00 N ATOM 139 CA VAL A 10 -16.376 0.215 -5.625 1.00 0.00 C ATOM 140 C VAL A 10 -15.899 -0.537 -6.862 1.00 0.00 C ATOM 141 O VAL A 10 -15.524 -1.707 -6.782 1.00 0.00 O ATOM 142 CB VAL A 10 -15.149 0.680 -4.818 1.00 0.00 C ATOM 143 CG1 VAL A 10 -14.342 1.695 -5.614 1.00 0.00 C ATOM 144 CG2 VAL A 10 -15.575 1.260 -3.480 1.00 0.00 C ATOM 0 H VAL A 10 -17.084 -1.618 -4.894 1.00 0.00 H new ATOM 0 HA VAL A 10 -16.952 1.088 -5.931 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.516 -0.186 -4.625 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -13.479 2.013 -5.029 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -14.002 1.240 -6.545 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -14.966 2.560 -5.839 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -14.693 1.582 -2.926 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -16.231 2.114 -3.646 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -16.106 0.500 -2.907 1.00 0.00 H new ATOM 154 N GLU A 11 -15.912 0.140 -8.005 1.00 0.00 N ATOM 155 CA GLU A 11 -15.476 -0.469 -9.256 1.00 0.00 C ATOM 156 C GLU A 11 -13.961 -0.377 -9.407 1.00 0.00 C ATOM 157 O GLU A 11 -13.398 0.716 -9.463 1.00 0.00 O ATOM 158 CB GLU A 11 -16.161 0.211 -10.445 1.00 0.00 C ATOM 159 CG GLU A 11 -15.818 1.685 -10.583 1.00 0.00 C ATOM 160 CD GLU A 11 -17.024 2.534 -10.934 1.00 0.00 C ATOM 161 OE1 GLU A 11 -17.938 2.643 -10.091 1.00 0.00 O ATOM 162 OE2 GLU A 11 -17.053 3.089 -12.053 1.00 0.00 O ATOM 0 H GLU A 11 -16.219 1.109 -8.091 1.00 0.00 H new ATOM 0 HA GLU A 11 -15.758 -1.522 -9.236 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -15.878 -0.307 -11.361 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -17.241 0.106 -10.340 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -15.386 2.043 -9.648 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.056 1.806 -11.353 1.00 0.00 H new ATOM 169 N ILE A 12 -13.307 -1.532 -9.472 1.00 0.00 N ATOM 170 CA ILE A 12 -11.856 -1.583 -9.617 1.00 0.00 C ATOM 171 C ILE A 12 -11.423 -1.022 -10.970 1.00 0.00 C ATOM 172 O ILE A 12 -11.543 -1.693 -11.997 1.00 0.00 O ATOM 173 CB ILE A 12 -11.326 -3.026 -9.470 1.00 0.00 C ATOM 174 CG1 ILE A 12 -11.656 -3.572 -8.078 1.00 0.00 C ATOM 175 CG2 ILE A 12 -9.824 -3.080 -9.725 1.00 0.00 C ATOM 176 CD1 ILE A 12 -10.826 -2.957 -6.969 1.00 0.00 C ATOM 0 H ILE A 12 -13.758 -2.446 -9.427 1.00 0.00 H new ATOM 0 HA ILE A 12 -11.433 -0.970 -8.821 1.00 0.00 H new ATOM 0 HB ILE A 12 -11.818 -3.651 -10.215 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -12.711 -3.397 -7.870 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -11.506 -4.652 -8.076 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -9.473 -4.106 -9.616 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.614 -2.730 -10.736 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -9.310 -2.442 -9.006 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -11.116 -3.393 -6.013 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.770 -3.155 -7.152 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -10.994 -1.880 -6.943 1.00 0.00 H new ATOM 188 N THR A 13 -10.916 0.206 -10.962 1.00 0.00 N ATOM 189 CA THR A 13 -10.461 0.853 -12.188 1.00 0.00 C ATOM 190 C THR A 13 -8.943 0.765 -12.311 1.00 0.00 C ATOM 191 O THR A 13 -8.220 1.031 -11.352 1.00 0.00 O ATOM 192 CB THR A 13 -10.903 2.316 -12.211 1.00 0.00 C ATOM 193 OG1 THR A 13 -10.895 2.865 -10.904 1.00 0.00 O ATOM 194 CG2 THR A 13 -12.291 2.513 -12.781 1.00 0.00 C ATOM 0 H THR A 13 -10.810 0.773 -10.121 1.00 0.00 H new ATOM 0 HA THR A 13 -10.909 0.334 -13.035 1.00 0.00 H new ATOM 0 HB THR A 13 -10.186 2.823 -12.857 1.00 0.00 H new ATOM 0 HG1 THR A 13 -11.179 3.802 -10.941 1.00 0.00 H new ATOM 0 HG21 THR A 13 -12.542 3.574 -12.768 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.318 2.146 -13.807 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.013 1.962 -12.179 1.00 0.00 H new ATOM 202 N GLU A 14 -8.472 0.373 -13.495 1.00 0.00 N ATOM 203 CA GLU A 14 -7.039 0.229 -13.760 1.00 0.00 C ATOM 204 C GLU A 14 -6.210 1.299 -13.050 1.00 0.00 C ATOM 205 O GLU A 14 -5.128 1.014 -12.538 1.00 0.00 O ATOM 206 CB GLU A 14 -6.776 0.289 -15.267 1.00 0.00 C ATOM 207 CG GLU A 14 -6.815 -1.072 -15.944 1.00 0.00 C ATOM 208 CD GLU A 14 -7.576 -1.051 -17.255 1.00 0.00 C ATOM 209 OE1 GLU A 14 -8.595 -0.334 -17.337 1.00 0.00 O ATOM 210 OE2 GLU A 14 -7.152 -1.751 -18.198 1.00 0.00 O ATOM 0 H GLU A 14 -9.067 0.148 -14.292 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.733 -0.741 -13.368 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.518 0.939 -15.732 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -5.801 0.744 -15.440 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.796 -1.412 -16.126 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -7.277 -1.795 -15.272 1.00 0.00 H new ATOM 217 N ALA A 15 -6.719 2.526 -13.022 1.00 0.00 N ATOM 218 CA ALA A 15 -6.015 3.626 -12.372 1.00 0.00 C ATOM 219 C ALA A 15 -5.954 3.426 -10.861 1.00 0.00 C ATOM 220 O ALA A 15 -4.901 3.584 -10.245 1.00 0.00 O ATOM 221 CB ALA A 15 -6.687 4.950 -12.702 1.00 0.00 C ATOM 0 H ALA A 15 -7.613 2.784 -13.440 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.993 3.643 -12.751 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.151 5.762 -12.211 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.673 5.106 -13.781 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.719 4.932 -12.352 1.00 0.00 H new ATOM 227 N LEU A 16 -7.091 3.086 -10.268 1.00 0.00 N ATOM 228 CA LEU A 16 -7.166 2.872 -8.827 1.00 0.00 C ATOM 229 C LEU A 16 -6.306 1.687 -8.397 1.00 0.00 C ATOM 230 O LEU A 16 -5.502 1.797 -7.469 1.00 0.00 O ATOM 231 CB LEU A 16 -8.618 2.643 -8.402 1.00 0.00 C ATOM 232 CG LEU A 16 -8.962 3.123 -6.991 1.00 0.00 C ATOM 233 CD1 LEU A 16 -8.147 2.364 -5.958 1.00 0.00 C ATOM 234 CD2 LEU A 16 -8.725 4.621 -6.866 1.00 0.00 C ATOM 0 H LEU A 16 -7.974 2.952 -10.761 1.00 0.00 H new ATOM 0 HA LEU A 16 -6.783 3.766 -8.336 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -9.273 3.149 -9.111 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -8.837 1.577 -8.471 1.00 0.00 H new ATOM 0 HG LEU A 16 -10.018 2.926 -6.806 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.404 2.718 -4.960 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.366 1.299 -6.033 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.085 2.530 -6.139 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.975 4.946 -5.856 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.677 4.842 -7.070 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -9.353 5.150 -7.583 1.00 0.00 H new ATOM 246 N ARG A 17 -6.483 0.553 -9.068 1.00 0.00 N ATOM 247 CA ARG A 17 -5.727 -0.653 -8.744 1.00 0.00 C ATOM 248 C ARG A 17 -4.237 -0.473 -9.018 1.00 0.00 C ATOM 249 O ARG A 17 -3.401 -0.835 -8.190 1.00 0.00 O ATOM 250 CB ARG A 17 -6.262 -1.846 -9.539 1.00 0.00 C ATOM 251 CG ARG A 17 -6.281 -1.621 -11.041 1.00 0.00 C ATOM 252 CD ARG A 17 -5.061 -2.231 -11.716 1.00 0.00 C ATOM 253 NE ARG A 17 -5.199 -3.674 -11.898 1.00 0.00 N ATOM 254 CZ ARG A 17 -4.670 -4.586 -11.083 1.00 0.00 C ATOM 255 NH1 ARG A 17 -3.964 -4.216 -10.021 1.00 0.00 N ATOM 256 NH2 ARG A 17 -4.849 -5.877 -11.331 1.00 0.00 N ATOM 0 H ARG A 17 -7.142 0.443 -9.839 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.853 -0.843 -7.678 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -5.650 -2.721 -9.320 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -7.274 -2.072 -9.202 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.187 -2.057 -11.463 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.315 -0.551 -11.249 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.908 -1.757 -12.685 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.174 -2.025 -11.117 1.00 0.00 H new ATOM 0 HE ARG A 17 -5.735 -4.005 -12.701 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.822 -3.226 -9.823 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -3.563 -4.922 -9.404 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -5.391 -6.170 -12.144 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.445 -6.577 -10.708 1.00 0.00 H new ATOM 270 N GLU A 18 -3.903 0.081 -10.179 1.00 0.00 N ATOM 271 CA GLU A 18 -2.505 0.292 -10.539 1.00 0.00 C ATOM 272 C GLU A 18 -1.835 1.253 -9.560 1.00 0.00 C ATOM 273 O GLU A 18 -0.671 1.073 -9.202 1.00 0.00 O ATOM 274 CB GLU A 18 -2.382 0.809 -11.978 1.00 0.00 C ATOM 275 CG GLU A 18 -2.730 2.279 -12.147 1.00 0.00 C ATOM 276 CD GLU A 18 -1.505 3.174 -12.134 1.00 0.00 C ATOM 277 OE1 GLU A 18 -0.514 2.813 -11.463 1.00 0.00 O ATOM 278 OE2 GLU A 18 -1.536 4.234 -12.793 1.00 0.00 O ATOM 0 H GLU A 18 -4.575 0.390 -10.882 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.992 -0.668 -10.481 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.361 0.647 -12.324 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.033 0.217 -12.621 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.266 2.416 -13.086 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.406 2.583 -11.348 1.00 0.00 H new ATOM 285 N PHE A 19 -2.573 2.271 -9.126 1.00 0.00 N ATOM 286 CA PHE A 19 -2.042 3.251 -8.185 1.00 0.00 C ATOM 287 C PHE A 19 -1.564 2.571 -6.906 1.00 0.00 C ATOM 288 O PHE A 19 -0.466 2.845 -6.422 1.00 0.00 O ATOM 289 CB PHE A 19 -3.110 4.297 -7.854 1.00 0.00 C ATOM 290 CG PHE A 19 -2.651 5.337 -6.869 1.00 0.00 C ATOM 291 CD1 PHE A 19 -1.958 6.457 -7.296 1.00 0.00 C ATOM 292 CD2 PHE A 19 -2.916 5.191 -5.517 1.00 0.00 C ATOM 293 CE1 PHE A 19 -1.535 7.414 -6.392 1.00 0.00 C ATOM 294 CE2 PHE A 19 -2.498 6.145 -4.608 1.00 0.00 C ATOM 295 CZ PHE A 19 -1.806 7.257 -5.047 1.00 0.00 C ATOM 0 H PHE A 19 -3.538 2.438 -9.410 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.190 3.746 -8.651 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -3.419 4.792 -8.775 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.989 3.792 -7.453 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -1.745 6.585 -8.347 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.455 4.322 -5.169 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.994 8.283 -6.737 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.712 6.021 -3.557 1.00 0.00 H new ATOM 0 HZ PHE A 19 -1.477 8.003 -4.339 1.00 0.00 H new ATOM 305 N VAL A 20 -2.390 1.678 -6.369 1.00 0.00 N ATOM 306 CA VAL A 20 -2.041 0.957 -5.151 1.00 0.00 C ATOM 307 C VAL A 20 -0.760 0.153 -5.348 1.00 0.00 C ATOM 308 O VAL A 20 0.161 0.219 -4.533 1.00 0.00 O ATOM 309 CB VAL A 20 -3.171 0.006 -4.713 1.00 0.00 C ATOM 310 CG1 VAL A 20 -2.881 -0.569 -3.335 1.00 0.00 C ATOM 311 CG2 VAL A 20 -4.511 0.727 -4.726 1.00 0.00 C ATOM 0 H VAL A 20 -3.302 1.437 -6.757 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.888 1.702 -4.371 1.00 0.00 H new ATOM 0 HB VAL A 20 -3.221 -0.820 -5.423 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.690 -1.238 -3.042 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -1.943 -1.124 -3.362 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.802 0.242 -2.611 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -5.297 0.039 -4.414 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.476 1.573 -4.040 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.722 1.085 -5.734 1.00 0.00 H new ATOM 321 N THR A 21 -0.707 -0.600 -6.442 1.00 0.00 N ATOM 322 CA THR A 21 0.462 -1.410 -6.756 1.00 0.00 C ATOM 323 C THR A 21 1.676 -0.524 -7.011 1.00 0.00 C ATOM 324 O THR A 21 2.812 -0.920 -6.751 1.00 0.00 O ATOM 325 CB THR A 21 0.189 -2.288 -7.978 1.00 0.00 C ATOM 326 OG1 THR A 21 -1.062 -2.943 -7.855 1.00 0.00 O ATOM 327 CG2 THR A 21 1.242 -3.351 -8.201 1.00 0.00 C ATOM 0 H THR A 21 -1.461 -0.665 -7.126 1.00 0.00 H new ATOM 0 HA THR A 21 0.673 -2.052 -5.901 1.00 0.00 H new ATOM 0 HB THR A 21 0.198 -1.607 -8.829 1.00 0.00 H new ATOM 0 HG1 THR A 21 -1.780 -2.328 -8.113 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.986 -3.937 -9.084 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.212 -2.877 -8.349 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.288 -4.006 -7.331 1.00 0.00 H new ATOM 335 N ALA A 22 1.426 0.680 -7.520 1.00 0.00 N ATOM 336 CA ALA A 22 2.496 1.628 -7.809 1.00 0.00 C ATOM 337 C ALA A 22 3.342 1.887 -6.567 1.00 0.00 C ATOM 338 O ALA A 22 4.572 1.887 -6.630 1.00 0.00 O ATOM 339 CB ALA A 22 1.919 2.931 -8.338 1.00 0.00 C ATOM 0 H ALA A 22 0.490 1.021 -7.741 1.00 0.00 H new ATOM 0 HA ALA A 22 3.139 1.194 -8.574 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.729 3.629 -8.549 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.360 2.736 -9.253 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.253 3.364 -7.591 1.00 0.00 H new ATOM 345 N LYS A 23 2.675 2.099 -5.437 1.00 0.00 N ATOM 346 CA LYS A 23 3.364 2.352 -4.179 1.00 0.00 C ATOM 347 C LYS A 23 4.076 1.091 -3.700 1.00 0.00 C ATOM 348 O LYS A 23 5.251 1.130 -3.329 1.00 0.00 O ATOM 349 CB LYS A 23 2.375 2.831 -3.115 1.00 0.00 C ATOM 350 CG LYS A 23 1.415 3.900 -3.615 1.00 0.00 C ATOM 351 CD LYS A 23 1.504 5.168 -2.780 1.00 0.00 C ATOM 352 CE LYS A 23 1.164 6.400 -3.601 1.00 0.00 C ATOM 353 NZ LYS A 23 1.915 7.601 -3.142 1.00 0.00 N ATOM 0 H LYS A 23 1.657 2.100 -5.368 1.00 0.00 H new ATOM 0 HA LYS A 23 4.106 3.133 -4.345 1.00 0.00 H new ATOM 0 HB2 LYS A 23 1.800 1.978 -2.754 1.00 0.00 H new ATOM 0 HB3 LYS A 23 2.931 3.223 -2.264 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.639 4.133 -4.656 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.395 3.516 -3.587 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.823 5.095 -1.932 1.00 0.00 H new ATOM 0 HD3 LYS A 23 2.510 5.267 -2.373 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.390 6.210 -4.650 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.094 6.595 -3.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.654 8.419 -3.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.680 7.798 -2.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.936 7.426 -3.228 1.00 0.00 H new ATOM 367 N PHE A 24 3.361 -0.030 -3.720 1.00 0.00 N ATOM 368 CA PHE A 24 3.930 -1.303 -3.294 1.00 0.00 C ATOM 369 C PHE A 24 5.231 -1.582 -4.039 1.00 0.00 C ATOM 370 O PHE A 24 6.247 -1.923 -3.431 1.00 0.00 O ATOM 371 CB PHE A 24 2.932 -2.439 -3.532 1.00 0.00 C ATOM 372 CG PHE A 24 2.206 -2.867 -2.288 1.00 0.00 C ATOM 373 CD1 PHE A 24 2.728 -3.856 -1.471 1.00 0.00 C ATOM 374 CD2 PHE A 24 1.001 -2.278 -1.936 1.00 0.00 C ATOM 375 CE1 PHE A 24 2.063 -4.251 -0.325 1.00 0.00 C ATOM 376 CE2 PHE A 24 0.332 -2.669 -0.792 1.00 0.00 C ATOM 377 CZ PHE A 24 0.863 -3.656 0.014 1.00 0.00 C ATOM 0 H PHE A 24 2.389 -0.082 -4.026 1.00 0.00 H new ATOM 0 HA PHE A 24 4.145 -1.244 -2.227 1.00 0.00 H new ATOM 0 HB2 PHE A 24 2.203 -2.122 -4.278 1.00 0.00 H new ATOM 0 HB3 PHE A 24 3.461 -3.296 -3.948 1.00 0.00 H new ATOM 0 HD1 PHE A 24 3.666 -4.324 -1.732 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.581 -1.505 -2.563 1.00 0.00 H new ATOM 0 HE1 PHE A 24 2.481 -5.023 0.304 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.606 -2.203 -0.529 1.00 0.00 H new ATOM 0 HZ PHE A 24 0.341 -3.963 0.908 1.00 0.00 H new ATOM 387 N ALA A 25 5.198 -1.429 -5.359 1.00 0.00 N ATOM 388 CA ALA A 25 6.378 -1.657 -6.185 1.00 0.00 C ATOM 389 C ALA A 25 7.563 -0.849 -5.668 1.00 0.00 C ATOM 390 O ALA A 25 8.646 -1.388 -5.445 1.00 0.00 O ATOM 391 CB ALA A 25 6.085 -1.300 -7.635 1.00 0.00 C ATOM 0 H ALA A 25 4.367 -1.148 -5.879 1.00 0.00 H new ATOM 0 HA ALA A 25 6.636 -2.715 -6.131 1.00 0.00 H new ATOM 0 HB1 ALA A 25 6.975 -1.475 -8.240 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.268 -1.919 -8.004 1.00 0.00 H new ATOM 0 HB3 ALA A 25 5.802 -0.249 -7.701 1.00 0.00 H new ATOM 397 N LYS A 26 7.347 0.452 -5.473 1.00 0.00 N ATOM 398 CA LYS A 26 8.395 1.337 -4.975 1.00 0.00 C ATOM 399 C LYS A 26 9.007 0.787 -3.690 1.00 0.00 C ATOM 400 O LYS A 26 10.184 1.013 -3.408 1.00 0.00 O ATOM 401 CB LYS A 26 7.831 2.737 -4.728 1.00 0.00 C ATOM 402 CG LYS A 26 8.812 3.853 -5.055 1.00 0.00 C ATOM 403 CD LYS A 26 9.221 4.623 -3.807 1.00 0.00 C ATOM 404 CE LYS A 26 10.654 5.122 -3.906 1.00 0.00 C ATOM 405 NZ LYS A 26 10.718 6.547 -4.332 1.00 0.00 N ATOM 0 H LYS A 26 6.456 0.914 -5.653 1.00 0.00 H new ATOM 0 HA LYS A 26 9.178 1.396 -5.731 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.930 2.868 -5.328 1.00 0.00 H new ATOM 0 HB3 LYS A 26 7.533 2.821 -3.683 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.698 3.432 -5.530 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.360 4.537 -5.773 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.549 5.469 -3.663 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.117 3.981 -2.932 1.00 0.00 H new ATOM 0 HE2 LYS A 26 11.145 5.010 -2.939 1.00 0.00 H new ATOM 0 HE3 LYS A 26 11.205 4.506 -4.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.712 6.849 -4.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.272 6.650 -5.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.215 7.139 -3.641 1.00 0.00 H new ATOM 419 N LEU A 27 8.204 0.058 -2.920 1.00 0.00 N ATOM 420 CA LEU A 27 8.676 -0.531 -1.673 1.00 0.00 C ATOM 421 C LEU A 27 9.513 -1.775 -1.954 1.00 0.00 C ATOM 422 O LEU A 27 10.451 -2.086 -1.221 1.00 0.00 O ATOM 423 CB LEU A 27 7.495 -0.891 -0.769 1.00 0.00 C ATOM 424 CG LEU A 27 6.974 0.253 0.103 1.00 0.00 C ATOM 425 CD1 LEU A 27 6.083 1.179 -0.710 1.00 0.00 C ATOM 426 CD2 LEU A 27 6.220 -0.295 1.306 1.00 0.00 C ATOM 0 H LEU A 27 7.227 -0.138 -3.137 1.00 0.00 H new ATOM 0 HA LEU A 27 9.298 0.204 -1.163 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.678 -1.254 -1.392 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.792 -1.716 -0.121 1.00 0.00 H new ATOM 0 HG LEU A 27 7.827 0.827 0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.721 1.987 -0.074 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.654 1.598 -1.539 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.235 0.617 -1.101 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.856 0.532 1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.375 -0.893 0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.888 -0.918 1.901 1.00 0.00 H new ATOM 438 N GLU A 28 9.164 -2.477 -3.028 1.00 0.00 N ATOM 439 CA GLU A 28 9.874 -3.691 -3.422 1.00 0.00 C ATOM 440 C GLU A 28 11.367 -3.435 -3.628 1.00 0.00 C ATOM 441 O GLU A 28 12.159 -4.375 -3.686 1.00 0.00 O ATOM 442 CB GLU A 28 9.265 -4.263 -4.705 1.00 0.00 C ATOM 443 CG GLU A 28 9.118 -5.777 -4.686 1.00 0.00 C ATOM 444 CD GLU A 28 9.483 -6.415 -6.012 1.00 0.00 C ATOM 445 OE1 GLU A 28 10.452 -5.950 -6.649 1.00 0.00 O ATOM 446 OE2 GLU A 28 8.799 -7.378 -6.415 1.00 0.00 O ATOM 0 H GLU A 28 8.391 -2.225 -3.644 1.00 0.00 H new ATOM 0 HA GLU A 28 9.767 -4.412 -2.611 1.00 0.00 H new ATOM 0 HB2 GLU A 28 8.285 -3.813 -4.864 1.00 0.00 H new ATOM 0 HB3 GLU A 28 9.889 -3.977 -5.552 1.00 0.00 H new ATOM 0 HG2 GLU A 28 9.752 -6.190 -3.902 1.00 0.00 H new ATOM 0 HG3 GLU A 28 8.090 -6.035 -4.434 1.00 0.00 H new ATOM 453 N GLN A 29 11.752 -2.164 -3.732 1.00 0.00 N ATOM 454 CA GLN A 29 13.153 -1.809 -3.926 1.00 0.00 C ATOM 455 C GLN A 29 13.963 -2.078 -2.660 1.00 0.00 C ATOM 456 O GLN A 29 14.964 -2.795 -2.695 1.00 0.00 O ATOM 457 CB GLN A 29 13.275 -0.334 -4.319 1.00 0.00 C ATOM 458 CG GLN A 29 14.707 0.114 -4.560 1.00 0.00 C ATOM 459 CD GLN A 29 15.048 1.399 -3.830 1.00 0.00 C ATOM 460 OE1 GLN A 29 14.898 2.492 -4.372 1.00 0.00 O ATOM 461 NE2 GLN A 29 15.509 1.271 -2.590 1.00 0.00 N ATOM 0 H GLN A 29 11.116 -1.368 -3.685 1.00 0.00 H new ATOM 0 HA GLN A 29 13.552 -2.428 -4.729 1.00 0.00 H new ATOM 0 HB2 GLN A 29 12.691 -0.158 -5.222 1.00 0.00 H new ATOM 0 HB3 GLN A 29 12.838 0.281 -3.532 1.00 0.00 H new ATOM 0 HG2 GLN A 29 15.389 -0.674 -4.239 1.00 0.00 H new ATOM 0 HG3 GLN A 29 14.864 0.255 -5.629 1.00 0.00 H new ATOM 0 HE21 GLN A 29 15.618 0.344 -2.179 1.00 0.00 H new ATOM 0 HE22 GLN A 29 15.754 2.100 -2.049 1.00 0.00 H new ATOM 470 N TYR A 30 13.527 -1.496 -1.548 1.00 0.00 N ATOM 471 CA TYR A 30 14.221 -1.675 -0.275 1.00 0.00 C ATOM 472 C TYR A 30 13.536 -2.723 0.604 1.00 0.00 C ATOM 473 O TYR A 30 13.968 -2.974 1.728 1.00 0.00 O ATOM 474 CB TYR A 30 14.321 -0.343 0.481 1.00 0.00 C ATOM 475 CG TYR A 30 13.099 0.537 0.348 1.00 0.00 C ATOM 476 CD1 TYR A 30 11.860 0.112 0.806 1.00 0.00 C ATOM 477 CD2 TYR A 30 13.186 1.795 -0.234 1.00 0.00 C ATOM 478 CE1 TYR A 30 10.741 0.915 0.686 1.00 0.00 C ATOM 479 CE2 TYR A 30 12.074 2.605 -0.356 1.00 0.00 C ATOM 480 CZ TYR A 30 10.853 2.159 0.105 1.00 0.00 C ATOM 481 OH TYR A 30 9.742 2.962 -0.015 1.00 0.00 O ATOM 0 H TYR A 30 12.701 -0.899 -1.501 1.00 0.00 H new ATOM 0 HA TYR A 30 15.225 -2.032 -0.504 1.00 0.00 H new ATOM 0 HB2 TYR A 30 14.493 -0.549 1.537 1.00 0.00 H new ATOM 0 HB3 TYR A 30 15.191 0.204 0.117 1.00 0.00 H new ATOM 0 HD1 TYR A 30 11.768 -0.862 1.264 1.00 0.00 H new ATOM 0 HD2 TYR A 30 14.140 2.146 -0.598 1.00 0.00 H new ATOM 0 HE1 TYR A 30 9.784 0.569 1.046 1.00 0.00 H new ATOM 0 HE2 TYR A 30 12.160 3.581 -0.809 1.00 0.00 H new ATOM 0 HH TYR A 30 9.993 3.806 -0.446 1.00 0.00 H new ATOM 491 N PHE A 31 12.472 -3.341 0.090 1.00 0.00 N ATOM 492 CA PHE A 31 11.755 -4.365 0.843 1.00 0.00 C ATOM 493 C PHE A 31 11.671 -5.662 0.045 1.00 0.00 C ATOM 494 O PHE A 31 11.084 -5.702 -1.036 1.00 0.00 O ATOM 495 CB PHE A 31 10.347 -3.882 1.204 1.00 0.00 C ATOM 496 CG PHE A 31 10.330 -2.853 2.300 1.00 0.00 C ATOM 497 CD1 PHE A 31 11.019 -3.073 3.479 1.00 0.00 C ATOM 498 CD2 PHE A 31 9.626 -1.670 2.150 1.00 0.00 C ATOM 499 CE1 PHE A 31 11.010 -2.131 4.490 1.00 0.00 C ATOM 500 CE2 PHE A 31 9.612 -0.724 3.157 1.00 0.00 C ATOM 501 CZ PHE A 31 10.305 -0.955 4.330 1.00 0.00 C ATOM 0 H PHE A 31 12.092 -3.151 -0.837 1.00 0.00 H new ATOM 0 HA PHE A 31 12.308 -4.556 1.763 1.00 0.00 H new ATOM 0 HB2 PHE A 31 9.876 -3.463 0.315 1.00 0.00 H new ATOM 0 HB3 PHE A 31 9.745 -4.738 1.510 1.00 0.00 H new ATOM 0 HD1 PHE A 31 11.571 -3.992 3.611 1.00 0.00 H new ATOM 0 HD2 PHE A 31 9.082 -1.485 1.236 1.00 0.00 H new ATOM 0 HE1 PHE A 31 11.554 -2.315 5.405 1.00 0.00 H new ATOM 0 HE2 PHE A 31 9.060 0.195 3.027 1.00 0.00 H new ATOM 0 HZ PHE A 31 10.295 -0.218 5.119 1.00 0.00 H new ATOM 511 N ASP A 32 12.262 -6.722 0.587 1.00 0.00 N ATOM 512 CA ASP A 32 12.256 -8.024 -0.071 1.00 0.00 C ATOM 513 C ASP A 32 11.346 -9.006 0.662 1.00 0.00 C ATOM 514 O ASP A 32 10.791 -9.921 0.058 1.00 0.00 O ATOM 515 CB ASP A 32 13.676 -8.586 -0.147 1.00 0.00 C ATOM 516 CG ASP A 32 14.527 -7.869 -1.176 1.00 0.00 C ATOM 517 OD1 ASP A 32 14.325 -8.110 -2.386 1.00 0.00 O ATOM 518 OD2 ASP A 32 15.398 -7.070 -0.774 1.00 0.00 O ATOM 0 H ASP A 32 12.752 -6.705 1.482 1.00 0.00 H new ATOM 0 HA ASP A 32 11.870 -7.888 -1.081 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.149 -8.505 0.832 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.631 -9.647 -0.392 1.00 0.00 H new ATOM 523 N ARG A 33 11.204 -8.808 1.971 1.00 0.00 N ATOM 524 CA ARG A 33 10.366 -9.677 2.787 1.00 0.00 C ATOM 525 C ARG A 33 8.891 -9.499 2.439 1.00 0.00 C ATOM 526 O ARG A 33 8.116 -8.958 3.227 1.00 0.00 O ATOM 527 CB ARG A 33 10.586 -9.387 4.274 1.00 0.00 C ATOM 528 CG ARG A 33 12.051 -9.263 4.662 1.00 0.00 C ATOM 529 CD ARG A 33 12.282 -8.099 5.612 1.00 0.00 C ATOM 530 NE ARG A 33 11.930 -8.436 6.989 1.00 0.00 N ATOM 531 CZ ARG A 33 12.715 -9.133 7.808 1.00 0.00 C ATOM 532 NH1 ARG A 33 13.895 -9.575 7.390 1.00 0.00 N ATOM 533 NH2 ARG A 33 12.319 -9.390 9.047 1.00 0.00 N ATOM 0 H ARG A 33 11.658 -8.054 2.486 1.00 0.00 H new ATOM 0 HA ARG A 33 10.649 -10.708 2.578 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.071 -8.463 4.535 1.00 0.00 H new ATOM 0 HB3 ARG A 33 10.130 -10.183 4.862 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.383 -10.189 5.132 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.655 -9.127 3.765 1.00 0.00 H new ATOM 0 HD2 ARG A 33 13.329 -7.799 5.569 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.691 -7.243 5.286 1.00 0.00 H new ATOM 0 HE ARG A 33 11.028 -8.118 7.345 1.00 0.00 H new ATOM 0 HH11 ARG A 33 14.204 -9.381 6.437 1.00 0.00 H new ATOM 0 HH12 ARG A 33 14.493 -10.108 8.021 1.00 0.00 H new ATOM 0 HH21 ARG A 33 11.413 -9.054 9.373 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.921 -9.924 9.674 1.00 0.00 H new ATOM 547 N ILE A 34 8.510 -9.961 1.254 1.00 0.00 N ATOM 548 CA ILE A 34 7.128 -9.854 0.804 1.00 0.00 C ATOM 549 C ILE A 34 6.721 -11.076 -0.010 1.00 0.00 C ATOM 550 O ILE A 34 7.269 -11.329 -1.083 1.00 0.00 O ATOM 551 CB ILE A 34 6.909 -8.588 -0.046 1.00 0.00 C ATOM 552 CG1 ILE A 34 7.511 -7.367 0.650 1.00 0.00 C ATOM 553 CG2 ILE A 34 5.425 -8.377 -0.309 1.00 0.00 C ATOM 554 CD1 ILE A 34 7.466 -6.108 -0.189 1.00 0.00 C ATOM 0 H ILE A 34 9.138 -10.412 0.589 1.00 0.00 H new ATOM 0 HA ILE A 34 6.508 -9.792 1.698 1.00 0.00 H new ATOM 0 HB ILE A 34 7.413 -8.720 -1.003 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.976 -7.191 1.583 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.547 -7.582 0.912 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.286 -7.479 -0.911 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.024 -9.238 -0.844 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.900 -8.263 0.639 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.910 -5.283 0.368 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.025 -6.265 -1.111 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.430 -5.868 -0.429 1.00 0.00 H new ATOM 566 N ASN A 35 5.756 -11.832 0.503 1.00 0.00 N ATOM 567 CA ASN A 35 5.277 -13.028 -0.182 1.00 0.00 C ATOM 568 C ASN A 35 3.855 -12.828 -0.694 1.00 0.00 C ATOM 569 O ASN A 35 3.607 -12.886 -1.897 1.00 0.00 O ATOM 570 CB ASN A 35 5.336 -14.245 0.748 1.00 0.00 C ATOM 571 CG ASN A 35 4.973 -13.906 2.183 1.00 0.00 C ATOM 572 OD1 ASN A 35 3.818 -14.029 2.589 1.00 0.00 O ATOM 573 ND2 ASN A 35 5.965 -13.480 2.959 1.00 0.00 N ATOM 0 H ASN A 35 5.290 -11.638 1.390 1.00 0.00 H new ATOM 0 HA ASN A 35 5.930 -13.209 -1.036 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.657 -15.013 0.378 1.00 0.00 H new ATOM 0 HB3 ASN A 35 6.340 -14.668 0.722 1.00 0.00 H new ATOM 0 HD21 ASN A 35 5.783 -13.240 3.934 1.00 0.00 H new ATOM 0 HD22 ASN A 35 6.908 -13.393 2.580 1.00 0.00 H new ATOM 580 N GLN A 36 2.923 -12.593 0.226 1.00 0.00 N ATOM 581 CA GLN A 36 1.524 -12.383 -0.135 1.00 0.00 C ATOM 582 C GLN A 36 0.988 -11.106 0.500 1.00 0.00 C ATOM 583 O GLN A 36 1.069 -10.923 1.715 1.00 0.00 O ATOM 584 CB GLN A 36 0.678 -13.579 0.307 1.00 0.00 C ATOM 585 CG GLN A 36 -0.788 -13.458 -0.073 1.00 0.00 C ATOM 586 CD GLN A 36 -1.433 -14.804 -0.341 1.00 0.00 C ATOM 587 OE1 GLN A 36 -0.837 -15.676 -0.973 1.00 0.00 O ATOM 588 NE2 GLN A 36 -2.659 -14.978 0.137 1.00 0.00 N ATOM 0 H GLN A 36 3.111 -12.543 1.227 1.00 0.00 H new ATOM 0 HA GLN A 36 1.463 -12.284 -1.219 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.086 -14.487 -0.137 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.757 -13.690 1.388 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -1.327 -12.954 0.729 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -0.879 -12.832 -0.961 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -3.115 -14.228 0.656 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -3.145 -15.862 -0.014 1.00 0.00 H new ATOM 597 N VAL A 37 0.446 -10.222 -0.331 1.00 0.00 N ATOM 598 CA VAL A 37 -0.098 -8.956 0.150 1.00 0.00 C ATOM 599 C VAL A 37 -1.546 -8.768 -0.289 1.00 0.00 C ATOM 600 O VAL A 37 -1.896 -9.025 -1.440 1.00 0.00 O ATOM 601 CB VAL A 37 0.732 -7.756 -0.351 1.00 0.00 C ATOM 602 CG1 VAL A 37 1.812 -7.395 0.658 1.00 0.00 C ATOM 603 CG2 VAL A 37 1.345 -8.048 -1.715 1.00 0.00 C ATOM 0 H VAL A 37 0.371 -10.358 -1.339 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.053 -8.995 1.238 1.00 0.00 H new ATOM 0 HB VAL A 37 0.063 -6.902 -0.459 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.387 -6.547 0.287 1.00 0.00 H new ATOM 0 HG12 VAL A 37 1.348 -7.132 1.609 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.475 -8.248 0.802 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.925 -7.186 -2.045 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.998 -8.918 -1.642 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.552 -8.249 -2.435 1.00 0.00 H new ATOM 613 N TYR A 38 -2.383 -8.310 0.635 1.00 0.00 N ATOM 614 CA TYR A 38 -3.792 -8.077 0.341 1.00 0.00 C ATOM 615 C TYR A 38 -4.230 -6.701 0.836 1.00 0.00 C ATOM 616 O TYR A 38 -3.941 -6.313 1.968 1.00 0.00 O ATOM 617 CB TYR A 38 -4.672 -9.173 0.956 1.00 0.00 C ATOM 618 CG TYR A 38 -4.159 -9.717 2.272 1.00 0.00 C ATOM 619 CD1 TYR A 38 -2.997 -10.475 2.324 1.00 0.00 C ATOM 620 CD2 TYR A 38 -4.845 -9.482 3.458 1.00 0.00 C ATOM 621 CE1 TYR A 38 -2.529 -10.982 3.522 1.00 0.00 C ATOM 622 CE2 TYR A 38 -4.382 -9.985 4.659 1.00 0.00 C ATOM 623 CZ TYR A 38 -3.225 -10.735 4.685 1.00 0.00 C ATOM 624 OH TYR A 38 -2.762 -11.238 5.880 1.00 0.00 O ATOM 0 H TYR A 38 -2.110 -8.093 1.594 1.00 0.00 H new ATOM 0 HA TYR A 38 -3.916 -8.109 -0.742 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -5.675 -8.775 1.107 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.759 -9.995 0.245 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.450 -10.672 1.414 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -5.753 -8.898 3.441 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.623 -11.569 3.546 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -4.924 -9.792 5.573 1.00 0.00 H new ATOM 0 HH TYR A 38 -1.973 -11.795 5.716 1.00 0.00 H new ATOM 634 N VAL A 39 -4.922 -5.968 -0.030 1.00 0.00 N ATOM 635 CA VAL A 39 -5.399 -4.630 0.301 1.00 0.00 C ATOM 636 C VAL A 39 -6.898 -4.501 0.057 1.00 0.00 C ATOM 637 O VAL A 39 -7.441 -5.117 -0.859 1.00 0.00 O ATOM 638 CB VAL A 39 -4.661 -3.555 -0.520 1.00 0.00 C ATOM 639 CG1 VAL A 39 -5.006 -2.163 -0.017 1.00 0.00 C ATOM 640 CG2 VAL A 39 -3.158 -3.789 -0.475 1.00 0.00 C ATOM 0 H VAL A 39 -5.166 -6.280 -0.970 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.195 -4.474 1.360 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.988 -3.630 -1.557 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.474 -1.419 -0.611 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.080 -1.999 -0.108 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.712 -2.071 1.028 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.652 -3.021 -1.060 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.814 -3.744 0.558 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.930 -4.770 -0.891 1.00 0.00 H new ATOM 650 N VAL A 40 -7.562 -3.699 0.882 1.00 0.00 N ATOM 651 CA VAL A 40 -9.000 -3.493 0.750 1.00 0.00 C ATOM 652 C VAL A 40 -9.389 -2.064 1.088 1.00 0.00 C ATOM 653 O VAL A 40 -8.957 -1.506 2.097 1.00 0.00 O ATOM 654 CB VAL A 40 -9.796 -4.458 1.648 1.00 0.00 C ATOM 655 CG1 VAL A 40 -11.283 -4.376 1.337 1.00 0.00 C ATOM 656 CG2 VAL A 40 -9.289 -5.883 1.481 1.00 0.00 C ATOM 0 H VAL A 40 -7.129 -3.182 1.647 1.00 0.00 H new ATOM 0 HA VAL A 40 -9.248 -3.694 -0.292 1.00 0.00 H new ATOM 0 HB VAL A 40 -9.649 -4.162 2.687 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.828 -5.065 1.982 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.636 -3.360 1.512 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -11.452 -4.644 0.294 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.863 -6.551 2.123 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.404 -6.191 0.442 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.236 -5.929 1.758 1.00 0.00 H new ATOM 666 N LEU A 41 -10.201 -1.479 0.221 1.00 0.00 N ATOM 667 CA LEU A 41 -10.655 -0.110 0.392 1.00 0.00 C ATOM 668 C LEU A 41 -12.169 0.001 0.213 1.00 0.00 C ATOM 669 O LEU A 41 -12.717 -0.423 -0.802 1.00 0.00 O ATOM 670 CB LEU A 41 -9.926 0.810 -0.593 1.00 0.00 C ATOM 671 CG LEU A 41 -9.564 0.179 -1.947 1.00 0.00 C ATOM 672 CD1 LEU A 41 -8.540 -0.931 -1.772 1.00 0.00 C ATOM 673 CD2 LEU A 41 -10.809 -0.338 -2.653 1.00 0.00 C ATOM 0 H LEU A 41 -10.561 -1.938 -0.616 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.421 0.203 1.410 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.550 1.685 -0.775 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.010 1.165 -0.121 1.00 0.00 H new ATOM 0 HG LEU A 41 -9.118 0.953 -2.572 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.300 -1.362 -2.744 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.635 -0.523 -1.323 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.950 -1.705 -1.123 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.528 -0.780 -3.609 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -11.292 -1.092 -2.032 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -11.500 0.488 -2.824 1.00 0.00 H new ATOM 685 N LYS A 42 -12.834 0.576 1.207 1.00 0.00 N ATOM 686 CA LYS A 42 -14.281 0.749 1.161 1.00 0.00 C ATOM 687 C LYS A 42 -14.640 2.216 0.957 1.00 0.00 C ATOM 688 O LYS A 42 -13.932 3.111 1.420 1.00 0.00 O ATOM 689 CB LYS A 42 -14.923 0.219 2.449 1.00 0.00 C ATOM 690 CG LYS A 42 -16.410 0.515 2.559 1.00 0.00 C ATOM 691 CD LYS A 42 -16.999 -0.047 3.844 1.00 0.00 C ATOM 692 CE LYS A 42 -16.314 0.531 5.072 1.00 0.00 C ATOM 693 NZ LYS A 42 -16.918 0.020 6.335 1.00 0.00 N ATOM 0 H LYS A 42 -12.394 0.931 2.056 1.00 0.00 H new ATOM 0 HA LYS A 42 -14.668 0.179 0.317 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -14.772 -0.859 2.503 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.410 0.656 3.306 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -16.571 1.593 2.525 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -16.931 0.088 1.702 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -18.066 0.174 3.883 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.898 -1.132 3.847 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -15.254 0.280 5.049 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -16.385 1.618 5.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -16.424 0.437 7.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -17.924 0.281 6.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.828 -1.016 6.369 1.00 0.00 H new ATOM 707 N VAL A 43 -15.746 2.452 0.258 1.00 0.00 N ATOM 708 CA VAL A 43 -16.205 3.808 -0.011 1.00 0.00 C ATOM 709 C VAL A 43 -17.646 3.994 0.445 1.00 0.00 C ATOM 710 O VAL A 43 -18.576 3.463 -0.161 1.00 0.00 O ATOM 711 CB VAL A 43 -16.100 4.150 -1.511 1.00 0.00 C ATOM 712 CG1 VAL A 43 -16.526 5.587 -1.767 1.00 0.00 C ATOM 713 CG2 VAL A 43 -14.685 3.911 -2.012 1.00 0.00 C ATOM 0 H VAL A 43 -16.340 1.721 -0.132 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.558 4.482 0.550 1.00 0.00 H new ATOM 0 HB VAL A 43 -16.775 3.494 -2.061 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -16.444 5.807 -2.831 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -17.559 5.723 -1.447 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -15.881 6.263 -1.206 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -14.628 4.157 -3.072 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -13.991 4.541 -1.455 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.420 2.864 -1.868 1.00 0.00 H new ATOM 723 N GLU A 44 -17.824 4.754 1.521 1.00 0.00 N ATOM 724 CA GLU A 44 -19.151 5.015 2.062 1.00 0.00 C ATOM 725 C GLU A 44 -19.403 6.516 2.166 1.00 0.00 C ATOM 726 O GLU A 44 -18.468 7.307 2.296 1.00 0.00 O ATOM 727 CB GLU A 44 -19.310 4.359 3.437 1.00 0.00 C ATOM 728 CG GLU A 44 -18.052 4.408 4.288 1.00 0.00 C ATOM 729 CD GLU A 44 -18.172 3.581 5.554 1.00 0.00 C ATOM 730 OE1 GLU A 44 -19.035 2.679 5.593 1.00 0.00 O ATOM 731 OE2 GLU A 44 -17.403 3.835 6.504 1.00 0.00 O ATOM 0 H GLU A 44 -17.064 5.200 2.035 1.00 0.00 H new ATOM 0 HA GLU A 44 -19.886 4.584 1.382 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -20.120 4.853 3.974 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -19.605 3.319 3.301 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -17.207 4.048 3.702 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -17.837 5.443 4.554 1.00 0.00 H new ATOM 738 N LYS A 45 -20.673 6.899 2.100 1.00 0.00 N ATOM 739 CA LYS A 45 -21.059 8.305 2.177 1.00 0.00 C ATOM 740 C LYS A 45 -20.483 8.989 3.420 1.00 0.00 C ATOM 741 O LYS A 45 -20.439 10.217 3.490 1.00 0.00 O ATOM 742 CB LYS A 45 -22.585 8.431 2.178 1.00 0.00 C ATOM 743 CG LYS A 45 -23.078 9.852 1.964 1.00 0.00 C ATOM 744 CD LYS A 45 -23.256 10.583 3.284 1.00 0.00 C ATOM 745 CE LYS A 45 -24.711 10.583 3.729 1.00 0.00 C ATOM 746 NZ LYS A 45 -25.246 9.202 3.876 1.00 0.00 N ATOM 0 H LYS A 45 -21.456 6.254 1.993 1.00 0.00 H new ATOM 0 HA LYS A 45 -20.648 8.806 1.300 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -22.995 7.792 1.396 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -22.971 8.060 3.128 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -22.369 10.394 1.339 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -24.026 9.833 1.427 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -22.640 10.110 4.049 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -22.905 11.610 3.183 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -24.800 11.110 4.679 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -25.313 11.130 3.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -26.184 9.239 4.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -25.327 8.759 2.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -24.601 8.641 4.469 1.00 0.00 H new ATOM 760 N VAL A 46 -20.048 8.200 4.400 1.00 0.00 N ATOM 761 CA VAL A 46 -19.487 8.759 5.629 1.00 0.00 C ATOM 762 C VAL A 46 -17.972 8.951 5.525 1.00 0.00 C ATOM 763 O VAL A 46 -17.503 10.038 5.188 1.00 0.00 O ATOM 764 CB VAL A 46 -19.811 7.895 6.871 1.00 0.00 C ATOM 765 CG1 VAL A 46 -21.040 8.432 7.588 1.00 0.00 C ATOM 766 CG2 VAL A 46 -20.010 6.433 6.494 1.00 0.00 C ATOM 0 H VAL A 46 -20.072 7.181 4.369 1.00 0.00 H new ATOM 0 HA VAL A 46 -19.961 9.733 5.755 1.00 0.00 H new ATOM 0 HB VAL A 46 -18.958 7.952 7.548 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -21.253 7.812 8.459 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -20.855 9.457 7.909 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -21.894 8.412 6.911 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -20.236 5.854 7.389 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -20.837 6.348 5.789 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -19.100 6.049 6.034 1.00 0.00 H new ATOM 776 N THR A 47 -17.210 7.900 5.820 1.00 0.00 N ATOM 777 CA THR A 47 -15.752 7.974 5.763 1.00 0.00 C ATOM 778 C THR A 47 -15.165 6.830 4.940 1.00 0.00 C ATOM 779 O THR A 47 -15.734 5.742 4.877 1.00 0.00 O ATOM 780 CB THR A 47 -15.166 7.953 7.175 1.00 0.00 C ATOM 781 OG1 THR A 47 -16.076 8.517 8.104 1.00 0.00 O ATOM 782 CG2 THR A 47 -13.862 8.710 7.294 1.00 0.00 C ATOM 0 H THR A 47 -17.576 6.990 6.100 1.00 0.00 H new ATOM 0 HA THR A 47 -15.487 8.912 5.275 1.00 0.00 H new ATOM 0 HB THR A 47 -14.978 6.902 7.393 1.00 0.00 H new ATOM 0 HG1 THR A 47 -15.684 8.493 9.002 1.00 0.00 H new ATOM 0 HG21 THR A 47 -13.502 8.655 8.321 1.00 0.00 H new ATOM 0 HG22 THR A 47 -13.123 8.268 6.626 1.00 0.00 H new ATOM 0 HG23 THR A 47 -14.021 9.753 7.021 1.00 0.00 H new ATOM 790 N HIS A 48 -14.014 7.080 4.323 1.00 0.00 N ATOM 791 CA HIS A 48 -13.342 6.069 3.514 1.00 0.00 C ATOM 792 C HIS A 48 -12.421 5.217 4.381 1.00 0.00 C ATOM 793 O HIS A 48 -11.772 5.723 5.296 1.00 0.00 O ATOM 794 CB HIS A 48 -12.539 6.731 2.392 1.00 0.00 C ATOM 795 CG HIS A 48 -13.341 7.694 1.573 1.00 0.00 C ATOM 796 ND1 HIS A 48 -13.700 7.451 0.264 1.00 0.00 N ATOM 797 CD2 HIS A 48 -13.853 8.909 1.882 1.00 0.00 C ATOM 798 CE1 HIS A 48 -14.399 8.474 -0.195 1.00 0.00 C ATOM 799 NE2 HIS A 48 -14.507 9.371 0.767 1.00 0.00 N ATOM 0 H HIS A 48 -13.527 7.975 4.368 1.00 0.00 H new ATOM 0 HA HIS A 48 -14.101 5.425 3.071 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -11.688 7.256 2.826 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -12.137 5.957 1.738 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -13.763 9.420 2.829 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -14.812 8.561 -1.189 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -14.997 10.263 0.694 1.00 0.00 H new ATOM 808 N THR A 49 -12.374 3.918 4.097 1.00 0.00 N ATOM 809 CA THR A 49 -11.536 3.004 4.868 1.00 0.00 C ATOM 810 C THR A 49 -10.665 2.136 3.962 1.00 0.00 C ATOM 811 O THR A 49 -11.156 1.515 3.022 1.00 0.00 O ATOM 812 CB THR A 49 -12.406 2.113 5.756 1.00 0.00 C ATOM 813 OG1 THR A 49 -13.502 2.843 6.276 1.00 0.00 O ATOM 814 CG2 THR A 49 -11.654 1.518 6.926 1.00 0.00 C ATOM 0 H THR A 49 -12.902 3.477 3.344 1.00 0.00 H new ATOM 0 HA THR A 49 -10.877 3.609 5.491 1.00 0.00 H new ATOM 0 HB THR A 49 -12.742 1.301 5.111 1.00 0.00 H new ATOM 0 HG1 THR A 49 -14.048 2.256 6.840 1.00 0.00 H new ATOM 0 HG21 THR A 49 -12.329 0.897 7.515 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.830 0.908 6.556 1.00 0.00 H new ATOM 0 HG23 THR A 49 -11.260 2.320 7.551 1.00 0.00 H new ATOM 822 N SER A 50 -9.372 2.095 4.265 1.00 0.00 N ATOM 823 CA SER A 50 -8.424 1.296 3.494 1.00 0.00 C ATOM 824 C SER A 50 -7.493 0.530 4.430 1.00 0.00 C ATOM 825 O SER A 50 -7.020 1.074 5.427 1.00 0.00 O ATOM 826 CB SER A 50 -7.606 2.189 2.559 1.00 0.00 C ATOM 827 OG SER A 50 -6.804 3.100 3.293 1.00 0.00 O ATOM 0 H SER A 50 -8.954 2.607 5.042 1.00 0.00 H new ATOM 0 HA SER A 50 -8.986 0.582 2.892 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.971 1.571 1.924 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.276 2.740 1.899 1.00 0.00 H new ATOM 0 HG SER A 50 -7.247 3.317 4.140 1.00 0.00 H new ATOM 833 N ASP A 51 -7.234 -0.734 4.108 1.00 0.00 N ATOM 834 CA ASP A 51 -6.363 -1.564 4.931 1.00 0.00 C ATOM 835 C ASP A 51 -5.285 -2.236 4.084 1.00 0.00 C ATOM 836 O ASP A 51 -5.489 -2.496 2.899 1.00 0.00 O ATOM 837 CB ASP A 51 -7.185 -2.625 5.669 1.00 0.00 C ATOM 838 CG ASP A 51 -7.824 -3.630 4.727 1.00 0.00 C ATOM 839 OD1 ASP A 51 -7.087 -4.267 3.947 1.00 0.00 O ATOM 840 OD2 ASP A 51 -9.062 -3.780 4.775 1.00 0.00 O ATOM 0 H ASP A 51 -7.614 -1.204 3.286 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.873 -0.919 5.661 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -6.542 -3.152 6.374 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -7.964 -2.134 6.253 1.00 0.00 H new ATOM 845 N ALA A 52 -4.141 -2.517 4.701 1.00 0.00 N ATOM 846 CA ALA A 52 -3.038 -3.162 3.999 1.00 0.00 C ATOM 847 C ALA A 52 -2.259 -4.089 4.928 1.00 0.00 C ATOM 848 O ALA A 52 -1.563 -3.637 5.838 1.00 0.00 O ATOM 849 CB ALA A 52 -2.115 -2.116 3.393 1.00 0.00 C ATOM 0 H ALA A 52 -3.955 -2.309 5.682 1.00 0.00 H new ATOM 0 HA ALA A 52 -3.457 -3.769 3.196 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.296 -2.612 2.872 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.675 -1.502 2.688 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.712 -1.484 4.184 1.00 0.00 H new ATOM 855 N THR A 53 -2.388 -5.389 4.689 1.00 0.00 N ATOM 856 CA THR A 53 -1.705 -6.392 5.500 1.00 0.00 C ATOM 857 C THR A 53 -0.543 -7.016 4.735 1.00 0.00 C ATOM 858 O THR A 53 -0.746 -7.732 3.754 1.00 0.00 O ATOM 859 CB THR A 53 -2.686 -7.481 5.933 1.00 0.00 C ATOM 860 OG1 THR A 53 -3.967 -6.931 6.181 1.00 0.00 O ATOM 861 CG2 THR A 53 -2.251 -8.215 7.182 1.00 0.00 C ATOM 0 H THR A 53 -2.961 -5.775 3.938 1.00 0.00 H new ATOM 0 HA THR A 53 -1.307 -5.895 6.385 1.00 0.00 H new ATOM 0 HB THR A 53 -2.715 -8.191 5.106 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.657 -7.570 5.904 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.991 -8.974 7.434 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.287 -8.693 7.006 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.161 -7.508 8.007 1.00 0.00 H new ATOM 869 N LEU A 54 0.676 -6.741 5.189 1.00 0.00 N ATOM 870 CA LEU A 54 1.871 -7.279 4.546 1.00 0.00 C ATOM 871 C LEU A 54 2.412 -8.479 5.317 1.00 0.00 C ATOM 872 O LEU A 54 2.327 -8.532 6.544 1.00 0.00 O ATOM 873 CB LEU A 54 2.948 -6.197 4.441 1.00 0.00 C ATOM 874 CG LEU A 54 2.754 -5.194 3.301 1.00 0.00 C ATOM 875 CD1 LEU A 54 1.362 -4.586 3.356 1.00 0.00 C ATOM 876 CD2 LEU A 54 3.816 -4.106 3.362 1.00 0.00 C ATOM 0 H LEU A 54 0.863 -6.149 5.999 1.00 0.00 H new ATOM 0 HA LEU A 54 1.597 -7.609 3.544 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.984 -5.650 5.383 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.916 -6.681 4.317 1.00 0.00 H new ATOM 0 HG LEU A 54 2.859 -5.724 2.354 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.243 -3.876 2.538 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.616 -5.375 3.263 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.227 -4.070 4.307 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.663 -3.402 2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.743 -3.579 4.313 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.804 -4.557 3.272 1.00 0.00 H new ATOM 888 N HIS A 55 2.966 -9.443 4.587 1.00 0.00 N ATOM 889 CA HIS A 55 3.520 -10.646 5.199 1.00 0.00 C ATOM 890 C HIS A 55 5.025 -10.513 5.409 1.00 0.00 C ATOM 891 O HIS A 55 5.761 -10.160 4.488 1.00 0.00 O ATOM 892 CB HIS A 55 3.219 -11.871 4.333 1.00 0.00 C ATOM 893 CG HIS A 55 1.879 -12.479 4.601 1.00 0.00 C ATOM 894 ND1 HIS A 55 1.713 -13.788 5.010 1.00 0.00 N ATOM 895 CD2 HIS A 55 0.635 -11.953 4.524 1.00 0.00 C ATOM 896 CE1 HIS A 55 0.427 -14.037 5.170 1.00 0.00 C ATOM 897 NE2 HIS A 55 -0.250 -12.941 4.881 1.00 0.00 N ATOM 0 H HIS A 55 3.043 -9.414 3.570 1.00 0.00 H new ATOM 0 HA HIS A 55 3.049 -10.774 6.173 1.00 0.00 H new ATOM 0 HB2 HIS A 55 3.276 -11.586 3.283 1.00 0.00 H new ATOM 0 HB3 HIS A 55 3.990 -12.623 4.501 1.00 0.00 H new ATOM 0 HD1 HIS A 55 2.467 -14.458 5.164 1.00 0.00 H new ATOM 0 HD2 HIS A 55 0.384 -10.943 4.235 1.00 0.00 H new ATOM 0 HE1 HIS A 55 0.000 -14.978 5.484 1.00 0.00 H new ATOM 906 N VAL A 56 5.474 -10.799 6.627 1.00 0.00 N ATOM 907 CA VAL A 56 6.891 -10.715 6.963 1.00 0.00 C ATOM 908 C VAL A 56 7.477 -12.107 7.194 1.00 0.00 C ATOM 909 O VAL A 56 6.739 -13.087 7.293 1.00 0.00 O ATOM 910 CB VAL A 56 7.127 -9.853 8.222 1.00 0.00 C ATOM 911 CG1 VAL A 56 8.553 -9.322 8.249 1.00 0.00 C ATOM 912 CG2 VAL A 56 6.128 -8.707 8.289 1.00 0.00 C ATOM 0 H VAL A 56 4.875 -11.092 7.399 1.00 0.00 H new ATOM 0 HA VAL A 56 7.391 -10.243 6.117 1.00 0.00 H new ATOM 0 HB VAL A 56 6.979 -10.485 9.098 1.00 0.00 H new ATOM 0 HG11 VAL A 56 8.699 -8.717 9.144 1.00 0.00 H new ATOM 0 HG12 VAL A 56 9.252 -10.158 8.258 1.00 0.00 H new ATOM 0 HG13 VAL A 56 8.730 -8.710 7.365 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.314 -8.114 9.184 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.238 -8.076 7.407 1.00 0.00 H new ATOM 0 HG23 VAL A 56 5.115 -9.109 8.324 1.00 0.00 H new ATOM 922 N ASN A 57 8.803 -12.185 7.277 1.00 0.00 N ATOM 923 CA ASN A 57 9.488 -13.459 7.495 1.00 0.00 C ATOM 924 C ASN A 57 8.814 -14.272 8.598 1.00 0.00 C ATOM 925 O ASN A 57 8.136 -15.262 8.327 1.00 0.00 O ATOM 926 CB ASN A 57 10.955 -13.217 7.855 1.00 0.00 C ATOM 927 CG ASN A 57 11.786 -12.802 6.658 1.00 0.00 C ATOM 928 OD1 ASN A 57 12.476 -11.783 6.689 1.00 0.00 O ATOM 929 ND2 ASN A 57 11.725 -13.593 5.591 1.00 0.00 N ATOM 0 H ASN A 57 9.426 -11.381 7.197 1.00 0.00 H new ATOM 0 HA ASN A 57 9.431 -14.029 6.567 1.00 0.00 H new ATOM 0 HB2 ASN A 57 11.015 -12.443 8.620 1.00 0.00 H new ATOM 0 HB3 ASN A 57 11.374 -14.126 8.287 1.00 0.00 H new ATOM 0 HD21 ASN A 57 12.263 -13.364 4.755 1.00 0.00 H new ATOM 0 HD22 ASN A 57 11.140 -14.428 5.608 1.00 0.00 H new ATOM 936 N GLY A 58 9.002 -13.844 9.843 1.00 0.00 N ATOM 937 CA GLY A 58 8.404 -14.542 10.966 1.00 0.00 C ATOM 938 C GLY A 58 7.326 -13.723 11.647 1.00 0.00 C ATOM 939 O GLY A 58 7.078 -13.883 12.843 1.00 0.00 O ATOM 0 H GLY A 58 9.558 -13.026 10.094 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.977 -15.483 10.620 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.180 -14.791 11.690 1.00 0.00 H new ATOM 943 N GLY A 59 6.684 -12.844 10.885 1.00 0.00 N ATOM 944 CA GLY A 59 5.635 -12.008 11.438 1.00 0.00 C ATOM 945 C GLY A 59 4.738 -11.421 10.366 1.00 0.00 C ATOM 946 O GLY A 59 5.024 -11.537 9.176 1.00 0.00 O ATOM 0 H GLY A 59 6.872 -12.696 9.893 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.032 -12.596 12.130 1.00 0.00 H new ATOM 0 HA3 GLY A 59 6.085 -11.200 12.015 1.00 0.00 H new ATOM 950 N GLU A 60 3.648 -10.789 10.790 1.00 0.00 N ATOM 951 CA GLU A 60 2.705 -10.182 9.857 1.00 0.00 C ATOM 952 C GLU A 60 2.201 -8.844 10.385 1.00 0.00 C ATOM 953 O GLU A 60 1.744 -8.746 11.523 1.00 0.00 O ATOM 954 CB GLU A 60 1.526 -11.123 9.604 1.00 0.00 C ATOM 955 CG GLU A 60 1.838 -12.239 8.622 1.00 0.00 C ATOM 956 CD GLU A 60 0.593 -12.964 8.150 1.00 0.00 C ATOM 957 OE1 GLU A 60 -0.372 -12.283 7.742 1.00 0.00 O ATOM 958 OE2 GLU A 60 0.582 -14.212 8.189 1.00 0.00 O ATOM 0 H GLU A 60 3.396 -10.684 11.773 1.00 0.00 H new ATOM 0 HA GLU A 60 3.227 -10.006 8.916 1.00 0.00 H new ATOM 0 HB2 GLU A 60 1.212 -11.561 10.551 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.684 -10.543 9.226 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.361 -11.824 7.760 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.514 -12.953 9.092 1.00 0.00 H new ATOM 965 N ILE A 61 2.284 -7.814 9.549 1.00 0.00 N ATOM 966 CA ILE A 61 1.832 -6.480 9.931 1.00 0.00 C ATOM 967 C ILE A 61 0.489 -6.154 9.284 1.00 0.00 C ATOM 968 O ILE A 61 0.259 -6.475 8.118 1.00 0.00 O ATOM 969 CB ILE A 61 2.860 -5.403 9.535 1.00 0.00 C ATOM 970 CG1 ILE A 61 4.249 -5.776 10.057 1.00 0.00 C ATOM 971 CG2 ILE A 61 2.436 -4.043 10.071 1.00 0.00 C ATOM 972 CD1 ILE A 61 5.380 -5.252 9.196 1.00 0.00 C ATOM 0 H ILE A 61 2.660 -7.877 8.603 1.00 0.00 H new ATOM 0 HA ILE A 61 1.721 -6.478 11.015 1.00 0.00 H new ATOM 0 HB ILE A 61 2.903 -5.347 8.447 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.364 -5.388 11.069 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.325 -6.861 10.121 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.172 -3.293 9.783 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.464 -3.775 9.656 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.367 -4.086 11.158 1.00 0.00 H new ATOM 0 HD11 ILE A 61 6.335 -5.554 9.626 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.290 -5.660 8.189 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.330 -4.164 9.152 1.00 0.00 H new ATOM 984 N HIS A 62 -0.388 -5.510 10.046 1.00 0.00 N ATOM 985 CA HIS A 62 -1.705 -5.134 9.544 1.00 0.00 C ATOM 986 C HIS A 62 -2.024 -3.684 9.890 1.00 0.00 C ATOM 987 O HIS A 62 -2.203 -3.340 11.059 1.00 0.00 O ATOM 988 CB HIS A 62 -2.779 -6.057 10.121 1.00 0.00 C ATOM 989 CG HIS A 62 -4.076 -6.005 9.376 1.00 0.00 C ATOM 990 ND1 HIS A 62 -4.966 -7.057 9.339 1.00 0.00 N ATOM 991 CD2 HIS A 62 -4.633 -5.017 8.636 1.00 0.00 C ATOM 992 CE1 HIS A 62 -6.014 -6.719 8.607 1.00 0.00 C ATOM 993 NE2 HIS A 62 -5.837 -5.486 8.170 1.00 0.00 N ATOM 0 H HIS A 62 -0.211 -5.237 11.013 1.00 0.00 H new ATOM 0 HA HIS A 62 -1.695 -5.237 8.459 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -2.407 -7.082 10.115 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -2.956 -5.788 11.162 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -4.209 -4.042 8.447 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -6.870 -7.345 8.402 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -6.488 -4.966 7.582 1.00 0.00 H new ATOM 1002 N ALA A 63 -2.097 -2.836 8.871 1.00 0.00 N ATOM 1003 CA ALA A 63 -2.398 -1.423 9.072 1.00 0.00 C ATOM 1004 C ALA A 63 -3.702 -1.040 8.380 1.00 0.00 C ATOM 1005 O ALA A 63 -4.075 -1.634 7.369 1.00 0.00 O ATOM 1006 CB ALA A 63 -1.253 -0.562 8.559 1.00 0.00 C ATOM 0 H ALA A 63 -1.952 -3.102 7.897 1.00 0.00 H new ATOM 0 HA ALA A 63 -2.518 -1.248 10.141 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -1.491 0.490 8.715 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.340 -0.812 9.099 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -1.107 -0.747 7.495 1.00 0.00 H new ATOM 1012 N SER A 64 -4.389 -0.040 8.923 1.00 0.00 N ATOM 1013 CA SER A 64 -5.644 0.430 8.350 1.00 0.00 C ATOM 1014 C SER A 64 -5.732 1.949 8.448 1.00 0.00 C ATOM 1015 O SER A 64 -5.701 2.509 9.544 1.00 0.00 O ATOM 1016 CB SER A 64 -6.833 -0.212 9.069 1.00 0.00 C ATOM 1017 OG SER A 64 -7.867 -0.536 8.156 1.00 0.00 O ATOM 0 H SER A 64 -4.096 0.461 9.762 1.00 0.00 H new ATOM 0 HA SER A 64 -5.674 0.142 7.299 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.505 -1.113 9.587 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.215 0.471 9.828 1.00 0.00 H new ATOM 0 HG SER A 64 -8.614 -0.946 8.640 1.00 0.00 H new ATOM 1023 N ALA A 65 -5.831 2.615 7.303 1.00 0.00 N ATOM 1024 CA ALA A 65 -5.911 4.071 7.279 1.00 0.00 C ATOM 1025 C ALA A 65 -7.149 4.556 6.532 1.00 0.00 C ATOM 1026 O ALA A 65 -7.848 3.773 5.889 1.00 0.00 O ATOM 1027 CB ALA A 65 -4.654 4.657 6.654 1.00 0.00 C ATOM 0 H ALA A 65 -5.858 2.173 6.384 1.00 0.00 H new ATOM 0 HA ALA A 65 -5.992 4.415 8.310 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.727 5.745 6.642 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.784 4.358 7.238 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.550 4.289 5.633 1.00 0.00 H new ATOM 1033 N GLU A 66 -7.405 5.855 6.622 1.00 0.00 N ATOM 1034 CA GLU A 66 -8.551 6.464 5.958 1.00 0.00 C ATOM 1035 C GLU A 66 -8.164 7.810 5.353 1.00 0.00 C ATOM 1036 O GLU A 66 -7.153 8.401 5.731 1.00 0.00 O ATOM 1037 CB GLU A 66 -9.705 6.647 6.946 1.00 0.00 C ATOM 1038 CG GLU A 66 -9.286 7.292 8.258 1.00 0.00 C ATOM 1039 CD GLU A 66 -10.270 8.344 8.731 1.00 0.00 C ATOM 1040 OE1 GLU A 66 -10.271 9.455 8.161 1.00 0.00 O ATOM 1041 OE2 GLU A 66 -11.039 8.057 9.672 1.00 0.00 O ATOM 0 H GLU A 66 -6.831 6.511 7.152 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.876 5.800 5.157 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.478 7.259 6.480 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.151 5.675 7.155 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -9.188 6.521 9.023 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.303 7.747 8.137 1.00 0.00 H new ATOM 1048 N GLY A 67 -8.972 8.288 4.413 1.00 0.00 N ATOM 1049 CA GLY A 67 -8.687 9.562 3.778 1.00 0.00 C ATOM 1050 C GLY A 67 -9.909 10.177 3.125 1.00 0.00 C ATOM 1051 O GLY A 67 -10.949 9.531 3.002 1.00 0.00 O ATOM 0 H GLY A 67 -9.815 7.819 4.081 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -8.291 10.253 4.522 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.910 9.423 3.026 1.00 0.00 H new ATOM 1055 N GLN A 68 -9.779 11.431 2.707 1.00 0.00 N ATOM 1056 CA GLN A 68 -10.878 12.145 2.063 1.00 0.00 C ATOM 1057 C GLN A 68 -11.259 11.497 0.731 1.00 0.00 C ATOM 1058 O GLN A 68 -12.314 11.798 0.171 1.00 0.00 O ATOM 1059 CB GLN A 68 -10.493 13.608 1.837 1.00 0.00 C ATOM 1060 CG GLN A 68 -11.611 14.443 1.234 1.00 0.00 C ATOM 1061 CD GLN A 68 -12.820 14.544 2.143 1.00 0.00 C ATOM 1062 OE1 GLN A 68 -13.593 13.468 2.220 1.00 0.00 O flip ATOM 1063 NE2 GLN A 68 -13.056 15.579 2.768 1.00 0.00 N flip ATOM 0 H GLN A 68 -8.922 11.976 2.802 1.00 0.00 H new ATOM 0 HA GLN A 68 -11.743 12.095 2.724 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.194 14.048 2.788 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.624 13.650 1.180 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -11.237 15.444 1.021 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.913 14.006 0.282 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -12.434 16.382 2.678 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -13.874 15.633 3.375 1.00 0.00 H new ATOM 1072 N ASP A 69 -10.405 10.608 0.230 1.00 0.00 N ATOM 1073 CA ASP A 69 -10.668 9.928 -1.033 1.00 0.00 C ATOM 1074 C ASP A 69 -9.965 8.574 -1.074 1.00 0.00 C ATOM 1075 O ASP A 69 -9.233 8.216 -0.150 1.00 0.00 O ATOM 1076 CB ASP A 69 -10.212 10.792 -2.211 1.00 0.00 C ATOM 1077 CG ASP A 69 -8.835 11.389 -1.997 1.00 0.00 C ATOM 1078 OD1 ASP A 69 -8.624 12.037 -0.950 1.00 0.00 O ATOM 1079 OD2 ASP A 69 -7.967 11.212 -2.878 1.00 0.00 O ATOM 0 H ASP A 69 -9.528 10.343 0.678 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.743 9.764 -1.112 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -10.205 10.188 -3.118 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -10.932 11.595 -2.368 1.00 0.00 H new ATOM 1084 N MET A 70 -10.196 7.825 -2.147 1.00 0.00 N ATOM 1085 CA MET A 70 -9.586 6.509 -2.304 1.00 0.00 C ATOM 1086 C MET A 70 -8.067 6.610 -2.442 1.00 0.00 C ATOM 1087 O MET A 70 -7.356 5.620 -2.272 1.00 0.00 O ATOM 1088 CB MET A 70 -10.171 5.796 -3.525 1.00 0.00 C ATOM 1089 CG MET A 70 -9.858 4.310 -3.569 1.00 0.00 C ATOM 1090 SD MET A 70 -11.236 3.290 -3.004 1.00 0.00 S ATOM 1091 CE MET A 70 -11.444 2.196 -4.405 1.00 0.00 C ATOM 0 H MET A 70 -10.800 8.106 -2.920 1.00 0.00 H new ATOM 0 HA MET A 70 -9.808 5.932 -1.407 1.00 0.00 H new ATOM 0 HB2 MET A 70 -11.253 5.931 -3.531 1.00 0.00 H new ATOM 0 HB3 MET A 70 -9.786 6.267 -4.429 1.00 0.00 H new ATOM 0 HG2 MET A 70 -9.597 4.028 -4.589 1.00 0.00 H new ATOM 0 HG3 MET A 70 -8.984 4.109 -2.949 1.00 0.00 H new ATOM 0 HE1 MET A 70 -12.250 1.492 -4.200 1.00 0.00 H new ATOM 0 HE2 MET A 70 -11.690 2.782 -5.291 1.00 0.00 H new ATOM 0 HE3 MET A 70 -10.518 1.647 -4.579 1.00 0.00 H new ATOM 1101 N TYR A 71 -7.574 7.808 -2.747 1.00 0.00 N ATOM 1102 CA TYR A 71 -6.139 8.023 -2.900 1.00 0.00 C ATOM 1103 C TYR A 71 -5.505 8.426 -1.573 1.00 0.00 C ATOM 1104 O TYR A 71 -4.388 8.015 -1.255 1.00 0.00 O ATOM 1105 CB TYR A 71 -5.872 9.099 -3.955 1.00 0.00 C ATOM 1106 CG TYR A 71 -6.578 8.850 -5.268 1.00 0.00 C ATOM 1107 CD1 TYR A 71 -6.471 7.625 -5.915 1.00 0.00 C ATOM 1108 CD2 TYR A 71 -7.350 9.841 -5.861 1.00 0.00 C ATOM 1109 CE1 TYR A 71 -7.115 7.396 -7.117 1.00 0.00 C ATOM 1110 CE2 TYR A 71 -7.998 9.617 -7.062 1.00 0.00 C ATOM 1111 CZ TYR A 71 -7.877 8.394 -7.686 1.00 0.00 C ATOM 1112 OH TYR A 71 -8.519 8.167 -8.881 1.00 0.00 O ATOM 0 H TYR A 71 -8.145 8.641 -2.892 1.00 0.00 H new ATOM 0 HA TYR A 71 -5.689 7.085 -3.227 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -6.185 10.066 -3.562 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -4.799 9.160 -4.135 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.876 6.840 -5.472 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -7.446 10.801 -5.377 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -7.021 6.439 -7.608 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -8.596 10.397 -7.509 1.00 0.00 H new ATOM 0 HH TYR A 71 -9.014 8.971 -9.144 1.00 0.00 H new ATOM 1122 N ALA A 72 -6.225 9.232 -0.801 1.00 0.00 N ATOM 1123 CA ALA A 72 -5.735 9.693 0.492 1.00 0.00 C ATOM 1124 C ALA A 72 -5.540 8.524 1.452 1.00 0.00 C ATOM 1125 O ALA A 72 -4.499 8.408 2.101 1.00 0.00 O ATOM 1126 CB ALA A 72 -6.694 10.712 1.088 1.00 0.00 C ATOM 0 H ALA A 72 -7.151 9.580 -1.049 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.767 10.169 0.337 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.315 11.047 2.053 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -6.781 11.566 0.416 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.674 10.254 1.222 1.00 0.00 H new ATOM 1132 N ALA A 73 -6.547 7.661 1.537 1.00 0.00 N ATOM 1133 CA ALA A 73 -6.490 6.499 2.418 1.00 0.00 C ATOM 1134 C ALA A 73 -5.242 5.662 2.151 1.00 0.00 C ATOM 1135 O ALA A 73 -4.645 5.111 3.073 1.00 0.00 O ATOM 1136 CB ALA A 73 -7.742 5.651 2.249 1.00 0.00 C ATOM 0 H ALA A 73 -7.414 7.744 1.006 1.00 0.00 H new ATOM 0 HA ALA A 73 -6.439 6.857 3.446 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.688 4.787 2.911 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.621 6.246 2.499 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.815 5.312 1.216 1.00 0.00 H new ATOM 1142 N ILE A 74 -4.854 5.573 0.882 1.00 0.00 N ATOM 1143 CA ILE A 74 -3.676 4.804 0.497 1.00 0.00 C ATOM 1144 C ILE A 74 -2.392 5.548 0.852 1.00 0.00 C ATOM 1145 O ILE A 74 -1.353 4.933 1.091 1.00 0.00 O ATOM 1146 CB ILE A 74 -3.677 4.494 -1.014 1.00 0.00 C ATOM 1147 CG1 ILE A 74 -5.003 3.855 -1.428 1.00 0.00 C ATOM 1148 CG2 ILE A 74 -2.510 3.584 -1.369 1.00 0.00 C ATOM 1149 CD1 ILE A 74 -5.229 2.484 -0.826 1.00 0.00 C ATOM 0 H ILE A 74 -5.337 6.023 0.105 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.714 3.867 1.053 1.00 0.00 H new ATOM 0 HB ILE A 74 -3.562 5.430 -1.560 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.821 4.512 -1.132 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -5.035 3.775 -2.515 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.524 3.374 -2.439 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.573 4.076 -1.108 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.596 2.649 -0.815 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.189 2.092 -1.163 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.431 1.812 -1.142 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -5.230 2.560 0.261 1.00 0.00 H new ATOM 1161 N ASP A 75 -2.470 6.876 0.883 1.00 0.00 N ATOM 1162 CA ASP A 75 -1.309 7.701 1.208 1.00 0.00 C ATOM 1163 C ASP A 75 -0.893 7.514 2.665 1.00 0.00 C ATOM 1164 O ASP A 75 0.250 7.161 2.954 1.00 0.00 O ATOM 1165 CB ASP A 75 -1.618 9.176 0.935 1.00 0.00 C ATOM 1166 CG ASP A 75 -0.809 9.733 -0.219 1.00 0.00 C ATOM 1167 OD1 ASP A 75 -0.435 8.947 -1.115 1.00 0.00 O ATOM 1168 OD2 ASP A 75 -0.548 10.955 -0.227 1.00 0.00 O ATOM 0 H ASP A 75 -3.322 7.403 0.688 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.480 7.385 0.574 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -2.680 9.287 0.717 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.414 9.759 1.833 1.00 0.00 H new ATOM 1173 N GLY A 76 -1.831 7.745 3.578 1.00 0.00 N ATOM 1174 CA GLY A 76 -1.540 7.590 4.992 1.00 0.00 C ATOM 1175 C GLY A 76 -1.358 6.138 5.387 1.00 0.00 C ATOM 1176 O GLY A 76 -0.644 5.829 6.340 1.00 0.00 O ATOM 0 H GLY A 76 -2.785 8.036 3.365 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.636 8.147 5.238 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.351 8.024 5.577 1.00 0.00 H new ATOM 1180 N LEU A 77 -2.004 5.246 4.644 1.00 0.00 N ATOM 1181 CA LEU A 77 -1.916 3.817 4.913 1.00 0.00 C ATOM 1182 C LEU A 77 -0.565 3.266 4.465 1.00 0.00 C ATOM 1183 O LEU A 77 0.140 2.619 5.238 1.00 0.00 O ATOM 1184 CB LEU A 77 -3.050 3.080 4.192 1.00 0.00 C ATOM 1185 CG LEU A 77 -2.914 1.557 4.136 1.00 0.00 C ATOM 1186 CD1 LEU A 77 -4.285 0.903 4.148 1.00 0.00 C ATOM 1187 CD2 LEU A 77 -2.131 1.136 2.902 1.00 0.00 C ATOM 0 H LEU A 77 -2.595 5.489 3.849 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.012 3.660 5.987 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.991 3.326 4.685 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.116 3.459 3.172 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.366 1.226 5.018 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.172 -0.180 4.108 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.812 1.179 5.061 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.857 1.240 3.283 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.044 0.050 2.879 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.651 1.477 2.007 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.135 1.579 2.934 1.00 0.00 H new ATOM 1199 N ILE A 78 -0.209 3.541 3.217 1.00 0.00 N ATOM 1200 CA ILE A 78 1.060 3.080 2.664 1.00 0.00 C ATOM 1201 C ILE A 78 2.235 3.827 3.298 1.00 0.00 C ATOM 1202 O ILE A 78 3.385 3.395 3.190 1.00 0.00 O ATOM 1203 CB ILE A 78 1.097 3.257 1.129 1.00 0.00 C ATOM 1204 CG1 ILE A 78 0.148 2.266 0.455 1.00 0.00 C ATOM 1205 CG2 ILE A 78 2.512 3.081 0.592 1.00 0.00 C ATOM 1206 CD1 ILE A 78 0.457 0.819 0.774 1.00 0.00 C ATOM 0 H ILE A 78 -0.781 4.081 2.567 1.00 0.00 H new ATOM 0 HA ILE A 78 1.150 2.018 2.895 1.00 0.00 H new ATOM 0 HB ILE A 78 0.769 4.271 0.898 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.874 2.487 0.763 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.193 2.409 -0.625 1.00 0.00 H new ATOM 0 HG21 ILE A 78 2.509 3.211 -0.490 1.00 0.00 H new ATOM 0 HG22 ILE A 78 3.168 3.824 1.045 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.872 2.082 0.837 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.256 0.173 0.262 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.467 0.581 0.440 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.383 0.660 1.850 1.00 0.00 H new ATOM 1218 N ASP A 79 1.943 4.937 3.969 1.00 0.00 N ATOM 1219 CA ASP A 79 2.980 5.722 4.626 1.00 0.00 C ATOM 1220 C ASP A 79 3.400 5.054 5.930 1.00 0.00 C ATOM 1221 O ASP A 79 4.583 4.803 6.162 1.00 0.00 O ATOM 1222 CB ASP A 79 2.482 7.143 4.899 1.00 0.00 C ATOM 1223 CG ASP A 79 2.926 8.125 3.832 1.00 0.00 C ATOM 1224 OD1 ASP A 79 2.611 7.895 2.646 1.00 0.00 O ATOM 1225 OD2 ASP A 79 3.589 9.124 4.184 1.00 0.00 O ATOM 0 H ASP A 79 1.000 5.311 4.071 1.00 0.00 H new ATOM 0 HA ASP A 79 3.844 5.777 3.964 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.393 7.139 4.955 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.850 7.474 5.870 1.00 0.00 H new ATOM 1230 N LYS A 80 2.417 4.763 6.777 1.00 0.00 N ATOM 1231 CA LYS A 80 2.679 4.118 8.057 1.00 0.00 C ATOM 1232 C LYS A 80 3.288 2.734 7.851 1.00 0.00 C ATOM 1233 O LYS A 80 4.135 2.296 8.631 1.00 0.00 O ATOM 1234 CB LYS A 80 1.388 4.005 8.870 1.00 0.00 C ATOM 1235 CG LYS A 80 0.339 3.109 8.232 1.00 0.00 C ATOM 1236 CD LYS A 80 -0.858 2.911 9.149 1.00 0.00 C ATOM 1237 CE LYS A 80 -2.101 3.594 8.602 1.00 0.00 C ATOM 1238 NZ LYS A 80 -3.095 3.878 9.672 1.00 0.00 N ATOM 0 H LYS A 80 1.433 4.964 6.599 1.00 0.00 H new ATOM 0 HA LYS A 80 3.392 4.732 8.607 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.626 3.621 9.862 1.00 0.00 H new ATOM 0 HB3 LYS A 80 0.967 5.001 9.007 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.009 3.548 7.290 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.781 2.141 7.995 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.052 1.845 9.271 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -0.629 3.308 10.138 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -1.818 4.526 8.113 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.558 2.961 7.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.906 3.235 9.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.653 3.736 10.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.421 4.862 9.590 1.00 0.00 H new ATOM 1252 N LEU A 81 2.856 2.050 6.795 1.00 0.00 N ATOM 1253 CA LEU A 81 3.366 0.717 6.491 1.00 0.00 C ATOM 1254 C LEU A 81 4.854 0.757 6.165 1.00 0.00 C ATOM 1255 O LEU A 81 5.633 -0.026 6.701 1.00 0.00 O ATOM 1256 CB LEU A 81 2.594 0.087 5.335 1.00 0.00 C ATOM 1257 CG LEU A 81 1.334 -0.675 5.754 1.00 0.00 C ATOM 1258 CD1 LEU A 81 0.094 -0.032 5.163 1.00 0.00 C ATOM 1259 CD2 LEU A 81 1.427 -2.137 5.342 1.00 0.00 C ATOM 0 H LEU A 81 2.157 2.395 6.138 1.00 0.00 H new ATOM 0 HA LEU A 81 3.225 0.103 7.380 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.312 0.871 4.633 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.256 -0.596 4.802 1.00 0.00 H new ATOM 0 HG LEU A 81 1.257 -0.630 6.840 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.789 -0.590 5.474 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.015 0.997 5.514 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.163 -0.040 4.075 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.521 -2.660 5.649 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.535 -2.204 4.259 1.00 0.00 H new ATOM 0 HD23 LEU A 81 2.291 -2.596 5.822 1.00 0.00 H new ATOM 1271 N ALA A 82 5.246 1.668 5.283 1.00 0.00 N ATOM 1272 CA ALA A 82 6.647 1.794 4.894 1.00 0.00 C ATOM 1273 C ALA A 82 7.544 1.994 6.114 1.00 0.00 C ATOM 1274 O ALA A 82 8.436 1.189 6.380 1.00 0.00 O ATOM 1275 CB ALA A 82 6.823 2.943 3.912 1.00 0.00 C ATOM 0 H ALA A 82 4.618 2.328 4.825 1.00 0.00 H new ATOM 0 HA ALA A 82 6.945 0.866 4.407 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.873 3.024 3.631 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.223 2.756 3.022 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.499 3.873 4.379 1.00 0.00 H new ATOM 1281 N ARG A 83 7.303 3.076 6.846 1.00 0.00 N ATOM 1282 CA ARG A 83 8.091 3.393 8.036 1.00 0.00 C ATOM 1283 C ARG A 83 8.146 2.217 9.009 1.00 0.00 C ATOM 1284 O ARG A 83 9.151 2.011 9.690 1.00 0.00 O ATOM 1285 CB ARG A 83 7.508 4.621 8.741 1.00 0.00 C ATOM 1286 CG ARG A 83 7.198 5.773 7.798 1.00 0.00 C ATOM 1287 CD ARG A 83 7.534 7.117 8.426 1.00 0.00 C ATOM 1288 NE ARG A 83 6.381 8.012 8.454 1.00 0.00 N ATOM 1289 CZ ARG A 83 6.469 9.332 8.613 1.00 0.00 C ATOM 1290 NH1 ARG A 83 7.654 9.911 8.758 1.00 0.00 N ATOM 1291 NH2 ARG A 83 5.370 10.073 8.626 1.00 0.00 N ATOM 0 H ARG A 83 6.567 3.751 6.637 1.00 0.00 H new ATOM 0 HA ARG A 83 9.109 3.606 7.709 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.595 4.332 9.261 1.00 0.00 H new ATOM 0 HB3 ARG A 83 8.212 4.963 9.500 1.00 0.00 H new ATOM 0 HG2 ARG A 83 7.764 5.651 6.875 1.00 0.00 H new ATOM 0 HG3 ARG A 83 6.142 5.750 7.530 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.897 6.962 9.442 1.00 0.00 H new ATOM 0 HD3 ARG A 83 8.343 7.586 7.867 1.00 0.00 H new ATOM 0 HE ARG A 83 5.453 7.603 8.345 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.503 9.345 8.748 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.716 10.922 8.879 1.00 0.00 H new ATOM 0 HH21 ARG A 83 4.457 9.633 8.514 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.438 11.083 8.748 1.00 0.00 H new ATOM 1305 N GLN A 84 7.064 1.446 9.073 1.00 0.00 N ATOM 1306 CA GLN A 84 7.000 0.294 9.970 1.00 0.00 C ATOM 1307 C GLN A 84 7.825 -0.868 9.426 1.00 0.00 C ATOM 1308 O GLN A 84 8.591 -1.496 10.158 1.00 0.00 O ATOM 1309 CB GLN A 84 5.547 -0.144 10.166 1.00 0.00 C ATOM 1310 CG GLN A 84 4.722 0.835 10.984 1.00 0.00 C ATOM 1311 CD GLN A 84 4.431 0.326 12.383 1.00 0.00 C ATOM 1312 OE1 GLN A 84 4.766 0.974 13.374 1.00 0.00 O ATOM 1313 NE2 GLN A 84 3.804 -0.842 12.468 1.00 0.00 N ATOM 0 H GLN A 84 6.222 1.596 8.517 1.00 0.00 H new ATOM 0 HA GLN A 84 7.417 0.591 10.932 1.00 0.00 H new ATOM 0 HB2 GLN A 84 5.080 -0.273 9.189 1.00 0.00 H new ATOM 0 HB3 GLN A 84 5.533 -1.117 10.657 1.00 0.00 H new ATOM 0 HG2 GLN A 84 5.252 1.785 11.050 1.00 0.00 H new ATOM 0 HG3 GLN A 84 3.781 1.030 10.469 1.00 0.00 H new ATOM 0 HE21 GLN A 84 3.545 -1.345 11.619 1.00 0.00 H new ATOM 0 HE22 GLN A 84 3.581 -1.236 13.382 1.00 0.00 H new ATOM 1322 N LEU A 85 7.663 -1.148 8.139 1.00 0.00 N ATOM 1323 CA LEU A 85 8.390 -2.232 7.491 1.00 0.00 C ATOM 1324 C LEU A 85 9.895 -2.022 7.602 1.00 0.00 C ATOM 1325 O LEU A 85 10.642 -2.956 7.890 1.00 0.00 O ATOM 1326 CB LEU A 85 7.983 -2.343 6.017 1.00 0.00 C ATOM 1327 CG LEU A 85 6.751 -3.210 5.724 1.00 0.00 C ATOM 1328 CD1 LEU A 85 7.128 -4.683 5.722 1.00 0.00 C ATOM 1329 CD2 LEU A 85 5.632 -2.946 6.727 1.00 0.00 C ATOM 0 H LEU A 85 7.032 -0.637 7.521 1.00 0.00 H new ATOM 0 HA LEU A 85 8.134 -3.161 8.000 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.796 -1.339 5.636 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.827 -2.745 5.457 1.00 0.00 H new ATOM 0 HG LEU A 85 6.381 -2.940 4.735 1.00 0.00 H new ATOM 0 HD11 LEU A 85 6.244 -5.285 5.513 1.00 0.00 H new ATOM 0 HD12 LEU A 85 7.880 -4.865 4.955 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.531 -4.957 6.697 1.00 0.00 H new ATOM 0 HD21 LEU A 85 4.775 -3.576 6.490 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.984 -3.175 7.733 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.337 -1.898 6.675 1.00 0.00 H new ATOM 1341 N THR A 86 10.336 -0.789 7.375 1.00 0.00 N ATOM 1342 CA THR A 86 11.755 -0.460 7.453 1.00 0.00 C ATOM 1343 C THR A 86 12.279 -0.634 8.874 1.00 0.00 C ATOM 1344 O THR A 86 13.389 -1.126 9.083 1.00 0.00 O ATOM 1345 CB THR A 86 11.997 0.976 6.979 1.00 0.00 C ATOM 1346 OG1 THR A 86 10.803 1.739 7.054 1.00 0.00 O ATOM 1347 CG2 THR A 86 12.510 1.058 5.557 1.00 0.00 C ATOM 0 H THR A 86 9.732 -0.002 7.136 1.00 0.00 H new ATOM 0 HA THR A 86 12.295 -1.146 6.800 1.00 0.00 H new ATOM 0 HB THR A 86 12.761 1.376 7.646 1.00 0.00 H new ATOM 0 HG1 THR A 86 10.163 1.411 6.388 1.00 0.00 H new ATOM 0 HG21 THR A 86 12.660 2.103 5.284 1.00 0.00 H new ATOM 0 HG22 THR A 86 13.457 0.523 5.480 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.783 0.607 4.881 1.00 0.00 H new ATOM 1355 N LYS A 87 11.473 -0.225 9.851 1.00 0.00 N ATOM 1356 CA LYS A 87 11.857 -0.331 11.255 1.00 0.00 C ATOM 1357 C LYS A 87 12.259 -1.759 11.621 1.00 0.00 C ATOM 1358 O LYS A 87 13.395 -2.011 12.021 1.00 0.00 O ATOM 1359 CB LYS A 87 10.707 0.129 12.153 1.00 0.00 C ATOM 1360 CG LYS A 87 10.762 1.609 12.501 1.00 0.00 C ATOM 1361 CD LYS A 87 10.553 1.843 13.989 1.00 0.00 C ATOM 1362 CE LYS A 87 9.617 3.012 14.244 1.00 0.00 C ATOM 1363 NZ LYS A 87 8.185 2.612 14.137 1.00 0.00 N ATOM 0 H LYS A 87 10.551 0.182 9.696 1.00 0.00 H new ATOM 0 HA LYS A 87 12.721 0.314 11.411 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.761 -0.084 11.656 1.00 0.00 H new ATOM 0 HB3 LYS A 87 10.721 -0.453 13.074 1.00 0.00 H new ATOM 0 HG2 LYS A 87 11.726 2.018 12.200 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.998 2.144 11.937 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.144 0.942 14.446 1.00 0.00 H new ATOM 0 HD3 LYS A 87 11.514 2.034 14.467 1.00 0.00 H new ATOM 0 HE2 LYS A 87 9.807 3.419 15.237 1.00 0.00 H new ATOM 0 HE3 LYS A 87 9.826 3.807 13.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.579 3.438 14.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.997 2.247 13.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.978 1.871 14.837 1.00 0.00 H new ATOM 1377 N HIS A 88 11.316 -2.688 11.494 1.00 0.00 N ATOM 1378 CA HIS A 88 11.574 -4.086 11.829 1.00 0.00 C ATOM 1379 C HIS A 88 12.578 -4.719 10.864 1.00 0.00 C ATOM 1380 O HIS A 88 13.422 -5.517 11.274 1.00 0.00 O ATOM 1381 CB HIS A 88 10.263 -4.885 11.846 1.00 0.00 C ATOM 1382 CG HIS A 88 9.792 -5.338 10.496 1.00 0.00 C ATOM 1383 ND1 HIS A 88 10.333 -6.212 9.614 1.00 0.00 N flip ATOM 1384 CD2 HIS A 88 8.621 -4.893 9.919 1.00 0.00 C flip ATOM 1385 CE1 HIS A 88 9.488 -6.276 8.535 1.00 0.00 C flip ATOM 1386 NE2 HIS A 88 8.463 -5.472 8.745 1.00 0.00 N flip ATOM 0 H HIS A 88 10.370 -2.500 11.163 1.00 0.00 H new ATOM 0 HA HIS A 88 12.013 -4.113 12.826 1.00 0.00 H new ATOM 0 HB2 HIS A 88 10.394 -5.760 12.483 1.00 0.00 H new ATOM 0 HB3 HIS A 88 9.485 -4.272 12.301 1.00 0.00 H new ATOM 0 HD1 HIS A 88 11.206 -6.727 9.730 1.00 0.00 H new ATOM 0 HD2 HIS A 88 7.939 -4.181 10.360 1.00 0.00 H new ATOM 0 HE1 HIS A 88 9.638 -6.886 7.656 1.00 0.00 H new ATOM 1395 N LYS A 89 12.481 -4.366 9.586 1.00 0.00 N ATOM 1396 CA LYS A 89 13.385 -4.911 8.578 1.00 0.00 C ATOM 1397 C LYS A 89 14.833 -4.523 8.864 1.00 0.00 C ATOM 1398 O LYS A 89 15.763 -5.157 8.364 1.00 0.00 O ATOM 1399 CB LYS A 89 12.984 -4.431 7.182 1.00 0.00 C ATOM 1400 CG LYS A 89 13.642 -5.215 6.057 1.00 0.00 C ATOM 1401 CD LYS A 89 14.492 -4.319 5.168 1.00 0.00 C ATOM 1402 CE LYS A 89 14.563 -4.853 3.747 1.00 0.00 C ATOM 1403 NZ LYS A 89 15.134 -6.229 3.697 1.00 0.00 N ATOM 0 H LYS A 89 11.790 -3.709 9.225 1.00 0.00 H new ATOM 0 HA LYS A 89 13.307 -5.997 8.618 1.00 0.00 H new ATOM 0 HB2 LYS A 89 11.901 -4.503 7.079 1.00 0.00 H new ATOM 0 HB3 LYS A 89 13.244 -3.377 7.080 1.00 0.00 H new ATOM 0 HG2 LYS A 89 14.264 -6.004 6.479 1.00 0.00 H new ATOM 0 HG3 LYS A 89 12.874 -5.702 5.455 1.00 0.00 H new ATOM 0 HD2 LYS A 89 14.075 -3.312 5.159 1.00 0.00 H new ATOM 0 HD3 LYS A 89 15.498 -4.244 5.581 1.00 0.00 H new ATOM 0 HE2 LYS A 89 13.564 -4.859 3.311 1.00 0.00 H new ATOM 0 HE3 LYS A 89 15.172 -4.185 3.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 15.525 -6.408 2.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 15.890 -6.317 4.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 14.386 -6.923 3.900 1.00 0.00 H new ATOM 1417 N ASP A 90 15.023 -3.486 9.675 1.00 0.00 N ATOM 1418 CA ASP A 90 16.362 -3.027 10.025 1.00 0.00 C ATOM 1419 C ASP A 90 17.053 -4.027 10.946 1.00 0.00 C ATOM 1420 O ASP A 90 18.260 -4.248 10.848 1.00 0.00 O ATOM 1421 CB ASP A 90 16.295 -1.655 10.700 1.00 0.00 C ATOM 1422 CG ASP A 90 17.480 -0.779 10.346 1.00 0.00 C ATOM 1423 OD1 ASP A 90 18.622 -1.162 10.675 1.00 0.00 O ATOM 1424 OD2 ASP A 90 17.266 0.292 9.739 1.00 0.00 O ATOM 0 H ASP A 90 14.268 -2.949 10.101 1.00 0.00 H new ATOM 0 HA ASP A 90 16.943 -2.942 9.107 1.00 0.00 H new ATOM 0 HB2 ASP A 90 15.374 -1.152 10.405 1.00 0.00 H new ATOM 0 HB3 ASP A 90 16.254 -1.787 11.781 1.00 0.00 H new ATOM 1429 N LYS A 91 16.277 -4.628 11.842 1.00 0.00 N ATOM 1430 CA LYS A 91 16.808 -5.607 12.784 1.00 0.00 C ATOM 1431 C LYS A 91 17.478 -6.765 12.051 1.00 0.00 C ATOM 1432 O LYS A 91 18.559 -7.215 12.432 1.00 0.00 O ATOM 1433 CB LYS A 91 15.692 -6.137 13.686 1.00 0.00 C ATOM 1434 CG LYS A 91 15.410 -5.251 14.887 1.00 0.00 C ATOM 1435 CD LYS A 91 14.141 -4.436 14.695 1.00 0.00 C ATOM 1436 CE LYS A 91 13.976 -3.394 15.791 1.00 0.00 C ATOM 1437 NZ LYS A 91 13.760 -4.020 17.126 1.00 0.00 N ATOM 0 H LYS A 91 15.276 -4.454 11.936 1.00 0.00 H new ATOM 0 HA LYS A 91 17.558 -5.109 13.399 1.00 0.00 H new ATOM 0 HB2 LYS A 91 14.780 -6.240 13.099 1.00 0.00 H new ATOM 0 HB3 LYS A 91 15.961 -7.134 14.035 1.00 0.00 H new ATOM 0 HG2 LYS A 91 15.315 -5.868 15.781 1.00 0.00 H new ATOM 0 HG3 LYS A 91 16.253 -4.580 15.051 1.00 0.00 H new ATOM 0 HD2 LYS A 91 14.168 -3.942 13.723 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.277 -5.101 14.691 1.00 0.00 H new ATOM 0 HE2 LYS A 91 14.863 -2.761 15.826 1.00 0.00 H new ATOM 0 HE3 LYS A 91 13.132 -2.747 15.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.618 -3.276 17.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.919 -4.631 17.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 14.592 -4.590 17.381 1.00 0.00 H new ATOM 1451 N LEU A 92 16.827 -7.245 10.995 1.00 0.00 N ATOM 1452 CA LEU A 92 17.360 -8.351 10.208 1.00 0.00 C ATOM 1453 C LEU A 92 18.019 -7.841 8.930 1.00 0.00 C ATOM 1454 O LEU A 92 17.427 -7.892 7.852 1.00 0.00 O ATOM 1455 CB LEU A 92 16.246 -9.342 9.862 1.00 0.00 C ATOM 1456 CG LEU A 92 15.742 -10.185 11.035 1.00 0.00 C ATOM 1457 CD1 LEU A 92 14.758 -9.390 11.878 1.00 0.00 C ATOM 1458 CD2 LEU A 92 15.101 -11.469 10.531 1.00 0.00 C ATOM 0 H LEU A 92 15.931 -6.886 10.666 1.00 0.00 H new ATOM 0 HA LEU A 92 18.116 -8.860 10.807 1.00 0.00 H new ATOM 0 HB2 LEU A 92 15.405 -8.789 9.444 1.00 0.00 H new ATOM 0 HB3 LEU A 92 16.606 -10.012 9.081 1.00 0.00 H new ATOM 0 HG LEU A 92 16.594 -10.450 11.661 1.00 0.00 H new ATOM 0 HD11 LEU A 92 14.410 -10.005 12.708 1.00 0.00 H new ATOM 0 HD12 LEU A 92 15.250 -8.499 12.268 1.00 0.00 H new ATOM 0 HD13 LEU A 92 13.908 -9.095 11.263 1.00 0.00 H new ATOM 0 HD21 LEU A 92 14.748 -12.057 11.379 1.00 0.00 H new ATOM 0 HD22 LEU A 92 14.259 -11.225 9.883 1.00 0.00 H new ATOM 0 HD23 LEU A 92 15.836 -12.047 9.970 1.00 0.00 H new ATOM 1470 N LYS A 93 19.248 -7.353 9.059 1.00 0.00 N ATOM 1471 CA LYS A 93 19.988 -6.834 7.914 1.00 0.00 C ATOM 1472 C LYS A 93 20.639 -7.967 7.127 1.00 0.00 C ATOM 1473 O LYS A 93 20.503 -8.046 5.906 1.00 0.00 O ATOM 1474 CB LYS A 93 21.055 -5.840 8.377 1.00 0.00 C ATOM 1475 CG LYS A 93 20.529 -4.427 8.567 1.00 0.00 C ATOM 1476 CD LYS A 93 20.518 -3.654 7.257 1.00 0.00 C ATOM 1477 CE LYS A 93 19.103 -3.450 6.741 1.00 0.00 C ATOM 1478 NZ LYS A 93 19.022 -2.325 5.769 1.00 0.00 N ATOM 0 H LYS A 93 19.753 -7.306 9.944 1.00 0.00 H new ATOM 0 HA LYS A 93 19.283 -6.321 7.260 1.00 0.00 H new ATOM 0 HB2 LYS A 93 21.481 -6.189 9.317 1.00 0.00 H new ATOM 0 HB3 LYS A 93 21.864 -5.822 7.647 1.00 0.00 H new ATOM 0 HG2 LYS A 93 19.519 -4.466 8.976 1.00 0.00 H new ATOM 0 HG3 LYS A 93 21.148 -3.902 9.295 1.00 0.00 H new ATOM 0 HD2 LYS A 93 20.997 -2.685 7.401 1.00 0.00 H new ATOM 0 HD3 LYS A 93 21.104 -4.191 6.512 1.00 0.00 H new ATOM 0 HE2 LYS A 93 18.755 -4.367 6.265 1.00 0.00 H new ATOM 0 HE3 LYS A 93 18.436 -3.253 7.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 18.041 -2.219 5.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 19.330 -1.445 6.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 19.639 -2.524 4.956 1.00 0.00 H new ATOM 1492 N GLN A 94 21.347 -8.842 7.835 1.00 0.00 N ATOM 1493 CA GLN A 94 22.019 -9.971 7.203 1.00 0.00 C ATOM 1494 C GLN A 94 21.467 -11.295 7.721 1.00 0.00 C ATOM 1495 O GLN A 94 21.848 -11.760 8.795 1.00 0.00 O ATOM 1496 CB GLN A 94 23.526 -9.901 7.456 1.00 0.00 C ATOM 1497 CG GLN A 94 23.888 -9.762 8.926 1.00 0.00 C ATOM 1498 CD GLN A 94 24.654 -8.487 9.223 1.00 0.00 C ATOM 1499 OE1 GLN A 94 23.968 -7.352 9.136 1.00 0.00 O flip ATOM 1500 NE2 GLN A 94 25.846 -8.522 9.529 1.00 0.00 N flip ATOM 0 H GLN A 94 21.470 -8.790 8.846 1.00 0.00 H new ATOM 0 HA GLN A 94 21.833 -9.916 6.130 1.00 0.00 H new ATOM 0 HB2 GLN A 94 23.995 -10.801 7.058 1.00 0.00 H new ATOM 0 HB3 GLN A 94 23.940 -9.056 6.906 1.00 0.00 H new ATOM 0 HG2 GLN A 94 22.977 -9.781 9.524 1.00 0.00 H new ATOM 0 HG3 GLN A 94 24.487 -10.620 9.231 1.00 0.00 H new ATOM 0 HE21 GLN A 94 26.332 -9.417 9.584 1.00 0.00 H new ATOM 0 HE22 GLN A 94 26.347 -7.656 9.728 1.00 0.00 H new ATOM 1509 N HIS A 95 20.565 -11.897 6.951 1.00 0.00 N ATOM 1510 CA HIS A 95 19.960 -13.168 7.332 1.00 0.00 C ATOM 1511 C HIS A 95 20.180 -14.221 6.250 1.00 0.00 C ATOM 1512 O HIS A 95 20.323 -15.410 6.604 1.00 0.00 O ATOM 1513 CB HIS A 95 18.462 -12.987 7.586 1.00 0.00 C ATOM 1514 CG HIS A 95 17.852 -14.099 8.382 1.00 0.00 C ATOM 1515 ND1 HIS A 95 17.670 -15.371 7.882 1.00 0.00 N ATOM 1516 CD2 HIS A 95 17.382 -14.125 9.653 1.00 0.00 C ATOM 1517 CE1 HIS A 95 17.112 -16.130 8.808 1.00 0.00 C ATOM 1518 NE2 HIS A 95 16.929 -15.399 9.891 1.00 0.00 N ATOM 1519 OXT HIS A 95 20.206 -13.848 5.059 1.00 0.00 O ATOM 0 H HIS A 95 20.237 -11.525 6.060 1.00 0.00 H new ATOM 0 HA HIS A 95 20.439 -13.510 8.250 1.00 0.00 H new ATOM 0 HB2 HIS A 95 18.302 -12.045 8.111 1.00 0.00 H new ATOM 0 HB3 HIS A 95 17.946 -12.911 6.629 1.00 0.00 H new ATOM 0 HD2 HIS A 95 17.367 -13.299 10.348 1.00 0.00 H new ATOM 0 HE1 HIS A 95 16.850 -17.172 8.697 1.00 0.00 H new ATOM 0 HE2 HIS A 95 16.517 -15.727 10.764 1.00 0.00 H new TER 1528 HIS A 95