USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 533 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 86 ASN : amide:sc= -2.5 K(o=-7,f=-9.9!) USER MOD Set 1.2: A 90 HIS : no HE2:sc= -4.54 K(o=-7,f=-9.9!) USER MOD Set 2.1: A 19 HIS : no HE2:sc= -10.9! C(o=-12!,f=-13!) USER MOD Set 2.2: A 71 TYR OH : rot 180:sc= -1.43 USER MOD Set 3.1: A 31 GLN :FLIP amide:sc= -1.44 F(o=-5,f=-3.4) USER MOD Set 3.2: A 32 THR OG1 : rot -150:sc= 1.01 USER MOD Set 3.3: A 89 GLN : amide:sc= -2.92! C(o=-3.4!,f=-5!) USER MOD Set 4.1: A 10 MET CE :methyl -142:sc= -3.74 (180deg=-9.27!) USER MOD Set 4.2: A 70 MET CE :methyl -135:sc= -1.83 (180deg=-4.08!) USER MOD Set 5.1: A 9 GLN : amide:sc= -1.52 K(o=-0.24,f=-14!) USER MOD Set 5.2: A 43 LYS NZ :NH3+ 147:sc= 1.29 (180deg=-0.0816) USER MOD Single : A 4 ASN : amide:sc= 0.782 K(o=0.78,f=-0.0037) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 179:sc= -3.96! USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -1.17 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -5.5! C(o=-5.5!,f=-9.7!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 HIS :FLIP no HD1:sc= -1.05 F(o=-1.8!,f=-1) USER MOD Single : A 42 ASN : amide:sc= -5.17 K(o=-5.2,f=-13!) USER MOD Single : A 46 ASN : amide:sc= -0.195 X(o=-0.2,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= -0.0441 USER MOD Single : A 53 SER OG : rot 180:sc= -0.19 USER MOD Single : A 56 THR OG1 : rot -92:sc= -0.851 USER MOD Single : A 60 ASN : amide:sc= -0.548 K(o=-0.55,f=-3.4!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -151:sc= -0.194 (180deg=-0.837) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= -2.12 K(o=-2.1,f=-3!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 31 N LEU A 3 0.919 -3.817 -7.984 1.00 0.00 N ATOM 32 CA LEU A 3 -0.004 -4.017 -6.873 1.00 0.00 C ATOM 33 C LEU A 3 -1.193 -4.865 -7.301 1.00 0.00 C ATOM 34 O LEU A 3 -1.981 -4.462 -8.156 1.00 0.00 O ATOM 35 CB LEU A 3 -0.485 -2.667 -6.335 1.00 0.00 C ATOM 36 CG LEU A 3 -1.571 -2.743 -5.258 1.00 0.00 C ATOM 37 CD1 LEU A 3 -1.543 -1.505 -4.377 1.00 0.00 C ATOM 38 CD2 LEU A 3 -2.940 -2.906 -5.894 1.00 0.00 C ATOM 0 HA LEU A 3 0.526 -4.546 -6.081 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.372 -2.131 -5.927 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.864 -2.076 -7.169 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.371 -3.614 -4.634 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.323 -1.580 -3.619 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.571 -1.426 -3.891 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -1.716 -0.619 -4.988 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.700 -2.958 -5.114 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.144 -2.054 -6.542 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -2.961 -3.823 -6.483 1.00 0.00 H new ATOM 44 N ASN A 4 -1.318 -6.044 -6.701 1.00 0.00 N ATOM 45 CA ASN A 4 -2.417 -6.945 -7.022 1.00 0.00 C ATOM 46 C ASN A 4 -3.613 -6.680 -6.115 1.00 0.00 C ATOM 47 O ASN A 4 -3.470 -6.129 -5.020 1.00 0.00 O ATOM 48 CB ASN A 4 -1.974 -8.403 -6.898 1.00 0.00 C ATOM 49 CG ASN A 4 -0.608 -8.650 -7.509 1.00 0.00 C ATOM 50 OD1 ASN A 4 -0.495 -9.025 -8.675 1.00 0.00 O ATOM 51 ND2 ASN A 4 0.440 -8.440 -6.720 1.00 0.00 N ATOM 0 H ASN A 4 -0.674 -6.396 -5.993 1.00 0.00 H new ATOM 0 HA ASN A 4 -2.716 -6.759 -8.054 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -1.954 -8.685 -5.845 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -2.708 -9.045 -7.386 1.00 0.00 H new ATOM 0 HD21 ASN A 4 1.384 -8.590 -7.076 1.00 0.00 H new ATOM 0 HD22 ASN A 4 0.300 -8.129 -5.759 1.00 0.00 H new ATOM 56 N ILE A 5 -4.794 -7.062 -6.583 1.00 0.00 N ATOM 57 CA ILE A 5 -6.018 -6.853 -5.823 1.00 0.00 C ATOM 58 C ILE A 5 -6.928 -8.076 -5.893 1.00 0.00 C ATOM 59 O ILE A 5 -6.758 -8.936 -6.756 1.00 0.00 O ATOM 60 CB ILE A 5 -6.770 -5.611 -6.336 1.00 0.00 C ATOM 61 CG1 ILE A 5 -5.799 -4.440 -6.481 1.00 0.00 C ATOM 62 CG2 ILE A 5 -7.895 -5.241 -5.389 1.00 0.00 C ATOM 63 CD1 ILE A 5 -5.117 -4.369 -7.826 1.00 0.00 C ATOM 0 H ILE A 5 -4.930 -7.518 -7.485 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.736 -6.693 -4.782 1.00 0.00 H new ATOM 0 HB ILE A 5 -7.201 -5.841 -7.310 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.340 -3.509 -6.310 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.039 -4.514 -5.703 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -8.415 -4.361 -5.768 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -8.596 -6.072 -5.314 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -7.484 -5.023 -4.403 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.445 -3.511 -7.848 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.546 -5.282 -7.993 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -5.867 -4.262 -8.609 1.00 0.00 H new ATOM 67 N THR A 6 -7.885 -8.155 -4.972 1.00 0.00 N ATOM 68 CA THR A 6 -8.807 -9.286 -4.929 1.00 0.00 C ATOM 69 C THR A 6 -10.232 -8.837 -4.610 1.00 0.00 C ATOM 70 O THR A 6 -11.133 -8.970 -5.440 1.00 0.00 O ATOM 71 CB THR A 6 -8.335 -10.310 -3.890 1.00 0.00 C ATOM 72 OG1 THR A 6 -7.085 -10.862 -4.263 1.00 0.00 O ATOM 73 CG2 THR A 6 -9.300 -11.459 -3.689 1.00 0.00 C ATOM 0 H THR A 6 -8.042 -7.453 -4.249 1.00 0.00 H new ATOM 0 HA THR A 6 -8.815 -9.748 -5.916 1.00 0.00 H new ATOM 0 HB THR A 6 -8.262 -9.754 -2.955 1.00 0.00 H new ATOM 0 HG1 THR A 6 -6.800 -11.512 -3.587 1.00 0.00 H new ATOM 0 HG21 THR A 6 -8.900 -12.143 -2.940 1.00 0.00 H new ATOM 0 HG22 THR A 6 -10.261 -11.072 -3.351 1.00 0.00 H new ATOM 0 HG23 THR A 6 -9.434 -11.990 -4.631 1.00 0.00 H new ATOM 78 N SER A 7 -10.434 -8.324 -3.401 1.00 0.00 N ATOM 79 CA SER A 7 -11.753 -7.875 -2.966 1.00 0.00 C ATOM 80 C SER A 7 -12.735 -9.044 -2.958 1.00 0.00 C ATOM 81 O SER A 7 -13.033 -9.627 -4.001 1.00 0.00 O ATOM 82 CB SER A 7 -12.274 -6.745 -3.862 1.00 0.00 C ATOM 83 OG SER A 7 -11.345 -6.417 -4.881 1.00 0.00 O ATOM 0 H SER A 7 -9.699 -8.208 -2.703 1.00 0.00 H new ATOM 0 HA SER A 7 -11.661 -7.486 -1.952 1.00 0.00 H new ATOM 0 HB2 SER A 7 -13.220 -7.045 -4.314 1.00 0.00 H new ATOM 0 HB3 SER A 7 -12.476 -5.862 -3.255 1.00 0.00 H new ATOM 0 HG SER A 7 -11.715 -5.706 -5.445 1.00 0.00 H new ATOM 89 N LYS A 8 -13.218 -9.394 -1.770 1.00 0.00 N ATOM 90 CA LYS A 8 -14.147 -10.511 -1.613 1.00 0.00 C ATOM 91 C LYS A 8 -15.435 -10.313 -2.412 1.00 0.00 C ATOM 92 O LYS A 8 -15.985 -11.271 -2.955 1.00 0.00 O ATOM 93 CB LYS A 8 -14.476 -10.718 -0.130 1.00 0.00 C ATOM 94 CG LYS A 8 -15.484 -9.722 0.425 1.00 0.00 C ATOM 95 CD LYS A 8 -15.266 -9.475 1.909 1.00 0.00 C ATOM 96 CE LYS A 8 -16.182 -10.341 2.758 1.00 0.00 C ATOM 97 NZ LYS A 8 -15.756 -10.371 4.184 1.00 0.00 N ATOM 0 H LYS A 8 -12.981 -8.919 -0.899 1.00 0.00 H new ATOM 0 HA LYS A 8 -13.654 -11.399 -2.008 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -14.864 -11.727 0.008 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -13.555 -10.648 0.449 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.402 -8.780 -0.117 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -16.495 -10.097 0.262 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -14.227 -9.683 2.165 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -15.446 -8.424 2.134 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -17.202 -9.963 2.692 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -16.192 -11.356 2.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -16.407 -10.972 4.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.792 -10.756 4.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -15.771 -9.406 4.571 1.00 0.00 H new ATOM 111 N GLN A 9 -15.925 -9.079 -2.468 1.00 0.00 N ATOM 112 CA GLN A 9 -17.163 -8.790 -3.189 1.00 0.00 C ATOM 113 C GLN A 9 -16.941 -7.772 -4.313 1.00 0.00 C ATOM 114 O GLN A 9 -16.517 -8.144 -5.408 1.00 0.00 O ATOM 115 CB GLN A 9 -18.235 -8.293 -2.212 1.00 0.00 C ATOM 116 CG GLN A 9 -17.686 -7.416 -1.099 1.00 0.00 C ATOM 117 CD GLN A 9 -18.722 -6.454 -0.555 1.00 0.00 C ATOM 118 OE1 GLN A 9 -19.080 -5.475 -1.210 1.00 0.00 O ATOM 119 NE2 GLN A 9 -19.211 -6.729 0.648 1.00 0.00 N ATOM 0 H GLN A 9 -15.490 -8.268 -2.028 1.00 0.00 H new ATOM 0 HA GLN A 9 -17.505 -9.715 -3.654 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -18.988 -7.733 -2.766 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -18.739 -9.153 -1.770 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -17.321 -8.048 -0.289 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -16.832 -6.852 -1.473 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -18.885 -7.552 1.155 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -19.913 -6.118 1.065 1.00 0.00 H new ATOM 126 N MET A 10 -17.240 -6.494 -4.047 1.00 0.00 N ATOM 127 CA MET A 10 -17.082 -5.433 -5.043 1.00 0.00 C ATOM 128 C MET A 10 -15.840 -5.651 -5.901 1.00 0.00 C ATOM 129 O MET A 10 -14.714 -5.457 -5.443 1.00 0.00 O ATOM 130 CB MET A 10 -17.002 -4.068 -4.362 1.00 0.00 C ATOM 131 CG MET A 10 -16.160 -4.065 -3.100 1.00 0.00 C ATOM 132 SD MET A 10 -16.327 -2.544 -2.153 1.00 0.00 S ATOM 133 CE MET A 10 -14.634 -2.306 -1.634 1.00 0.00 C ATOM 0 H MET A 10 -17.594 -6.172 -3.146 1.00 0.00 H new ATOM 0 HA MET A 10 -17.957 -5.463 -5.693 1.00 0.00 H new ATOM 0 HB2 MET A 10 -16.589 -3.345 -5.065 1.00 0.00 H new ATOM 0 HB3 MET A 10 -18.010 -3.735 -4.116 1.00 0.00 H new ATOM 0 HG2 MET A 10 -16.448 -4.910 -2.475 1.00 0.00 H new ATOM 0 HG3 MET A 10 -15.113 -4.208 -3.367 1.00 0.00 H new ATOM 0 HE1 MET A 10 -14.617 -1.920 -0.615 1.00 0.00 H new ATOM 0 HE2 MET A 10 -14.105 -3.258 -1.670 1.00 0.00 H new ATOM 0 HE3 MET A 10 -14.146 -1.595 -2.300 1.00 0.00 H new ATOM 143 N ASP A 11 -16.055 -6.062 -7.144 1.00 0.00 N ATOM 144 CA ASP A 11 -14.954 -6.314 -8.063 1.00 0.00 C ATOM 145 C ASP A 11 -14.084 -5.073 -8.229 1.00 0.00 C ATOM 146 O ASP A 11 -14.287 -4.066 -7.551 1.00 0.00 O ATOM 147 CB ASP A 11 -15.488 -6.766 -9.423 1.00 0.00 C ATOM 148 CG ASP A 11 -16.520 -7.870 -9.302 1.00 0.00 C ATOM 149 OD1 ASP A 11 -17.708 -7.551 -9.084 1.00 0.00 O ATOM 150 OD2 ASP A 11 -16.140 -9.053 -9.425 1.00 0.00 O ATOM 0 H ASP A 11 -16.981 -6.228 -7.538 1.00 0.00 H new ATOM 0 HA ASP A 11 -14.339 -7.109 -7.641 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -15.931 -5.913 -9.938 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -14.658 -7.114 -10.038 1.00 0.00 H new ATOM 155 N ILE A 12 -13.116 -5.150 -9.136 1.00 0.00 N ATOM 156 CA ILE A 12 -12.217 -4.027 -9.387 1.00 0.00 C ATOM 157 C ILE A 12 -12.568 -3.332 -10.697 1.00 0.00 C ATOM 158 O ILE A 12 -13.036 -3.960 -11.646 1.00 0.00 O ATOM 159 CB ILE A 12 -10.726 -4.448 -9.433 1.00 0.00 C ATOM 160 CG1 ILE A 12 -10.564 -5.962 -9.248 1.00 0.00 C ATOM 161 CG2 ILE A 12 -9.925 -3.700 -8.374 1.00 0.00 C ATOM 162 CD1 ILE A 12 -10.982 -6.455 -7.878 1.00 0.00 C ATOM 0 H ILE A 12 -12.933 -5.974 -9.708 1.00 0.00 H new ATOM 0 HA ILE A 12 -12.353 -3.344 -8.549 1.00 0.00 H new ATOM 0 HB ILE A 12 -10.340 -4.186 -10.418 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -11.154 -6.477 -10.006 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.522 -6.231 -9.419 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.881 -4.009 -8.422 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.995 -2.627 -8.555 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -10.326 -3.928 -7.386 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -10.840 -7.534 -7.821 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -10.375 -5.968 -7.115 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -12.033 -6.218 -7.711 1.00 0.00 H new ATOM 166 N THR A 13 -12.330 -2.030 -10.732 1.00 0.00 N ATOM 167 CA THR A 13 -12.606 -1.223 -11.909 1.00 0.00 C ATOM 168 C THR A 13 -11.590 -0.084 -12.015 1.00 0.00 C ATOM 169 O THR A 13 -10.784 0.118 -11.106 1.00 0.00 O ATOM 170 CB THR A 13 -14.027 -0.662 -11.837 1.00 0.00 C ATOM 171 OG1 THR A 13 -14.508 -0.688 -10.505 1.00 0.00 O ATOM 172 CG2 THR A 13 -15.016 -1.420 -12.696 1.00 0.00 C ATOM 0 H THR A 13 -11.942 -1.505 -9.948 1.00 0.00 H new ATOM 0 HA THR A 13 -12.521 -1.850 -12.797 1.00 0.00 H new ATOM 0 HB THR A 13 -13.953 0.359 -12.212 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.417 -0.324 -10.478 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.004 -0.969 -12.598 1.00 0.00 H new ATOM 0 HG22 THR A 13 -14.700 -1.378 -13.738 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.058 -2.460 -12.371 1.00 0.00 H new ATOM 177 N PRO A 14 -11.609 0.676 -13.124 1.00 0.00 N ATOM 178 CA PRO A 14 -10.680 1.791 -13.333 1.00 0.00 C ATOM 179 C PRO A 14 -10.476 2.645 -12.082 1.00 0.00 C ATOM 180 O PRO A 14 -9.356 3.055 -11.779 1.00 0.00 O ATOM 181 CB PRO A 14 -11.369 2.601 -14.427 1.00 0.00 C ATOM 182 CG PRO A 14 -12.101 1.584 -15.233 1.00 0.00 C ATOM 183 CD PRO A 14 -12.530 0.509 -14.267 1.00 0.00 C ATOM 0 HA PRO A 14 -9.679 1.445 -13.590 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -12.050 3.340 -14.005 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.646 3.145 -15.035 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -12.964 2.028 -15.729 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -11.461 1.173 -16.014 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.570 0.634 -13.965 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.444 -0.484 -14.709 1.00 0.00 H new ATOM 191 N ALA A 15 -11.563 2.911 -11.361 1.00 0.00 N ATOM 192 CA ALA A 15 -11.490 3.719 -10.147 1.00 0.00 C ATOM 193 C ALA A 15 -10.519 3.111 -9.140 1.00 0.00 C ATOM 194 O ALA A 15 -9.357 3.510 -9.074 1.00 0.00 O ATOM 195 CB ALA A 15 -12.873 3.878 -9.533 1.00 0.00 C ATOM 0 H ALA A 15 -12.499 2.581 -11.595 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.115 4.706 -10.418 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -12.802 4.483 -8.629 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -13.534 4.369 -10.247 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -13.275 2.896 -9.282 1.00 0.00 H new ATOM 201 N ILE A 16 -10.992 2.135 -8.364 1.00 0.00 N ATOM 202 CA ILE A 16 -10.144 1.477 -7.377 1.00 0.00 C ATOM 203 C ILE A 16 -8.829 1.052 -8.013 1.00 0.00 C ATOM 204 O ILE A 16 -7.760 1.430 -7.548 1.00 0.00 O ATOM 205 CB ILE A 16 -10.826 0.241 -6.757 1.00 0.00 C ATOM 206 CG1 ILE A 16 -11.654 -0.511 -7.810 1.00 0.00 C ATOM 207 CG2 ILE A 16 -11.680 0.653 -5.568 1.00 0.00 C ATOM 208 CD1 ILE A 16 -13.150 -0.301 -7.702 1.00 0.00 C ATOM 0 H ILE A 16 -11.950 1.787 -8.401 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.961 2.200 -6.582 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.055 -0.442 -6.399 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -11.327 -0.198 -8.802 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -11.443 -1.577 -7.726 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -12.156 -0.229 -5.139 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -11.051 1.128 -4.815 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -12.446 1.356 -5.896 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -13.654 -0.869 -8.484 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -13.496 -0.641 -6.726 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -13.378 0.759 -7.818 1.00 0.00 H new ATOM 212 N ARG A 17 -8.915 0.286 -9.099 1.00 0.00 N ATOM 213 CA ARG A 17 -7.722 -0.168 -9.813 1.00 0.00 C ATOM 214 C ARG A 17 -6.694 0.955 -9.886 1.00 0.00 C ATOM 215 O ARG A 17 -5.571 0.824 -9.397 1.00 0.00 O ATOM 216 CB ARG A 17 -8.091 -0.626 -11.225 1.00 0.00 C ATOM 217 CG ARG A 17 -6.978 -1.387 -11.930 1.00 0.00 C ATOM 218 CD ARG A 17 -7.529 -2.337 -12.981 1.00 0.00 C ATOM 219 NE ARG A 17 -7.455 -3.732 -12.548 1.00 0.00 N ATOM 220 CZ ARG A 17 -7.488 -4.770 -13.382 1.00 0.00 C ATOM 221 NH1 ARG A 17 -7.595 -4.578 -14.691 1.00 0.00 N ATOM 222 NH2 ARG A 17 -7.413 -6.005 -12.905 1.00 0.00 N ATOM 0 H ARG A 17 -9.796 -0.033 -9.503 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.292 -1.009 -9.270 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.976 -1.260 -11.172 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.358 0.246 -11.822 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -6.294 -0.680 -12.400 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -6.400 -1.950 -11.197 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.566 -2.078 -13.196 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -6.971 -2.215 -13.909 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.373 -3.921 -11.549 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -7.653 -3.631 -15.064 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -7.620 -5.378 -15.323 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -7.330 -6.159 -11.900 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -7.438 -6.801 -13.543 1.00 0.00 H new ATOM 236 N GLU A 18 -7.107 2.073 -10.475 1.00 0.00 N ATOM 237 CA GLU A 18 -6.245 3.240 -10.595 1.00 0.00 C ATOM 238 C GLU A 18 -5.833 3.735 -9.213 1.00 0.00 C ATOM 239 O GLU A 18 -4.683 4.118 -8.996 1.00 0.00 O ATOM 240 CB GLU A 18 -6.970 4.353 -11.360 1.00 0.00 C ATOM 241 CG GLU A 18 -6.179 5.649 -11.450 1.00 0.00 C ATOM 242 CD GLU A 18 -6.858 6.685 -12.325 1.00 0.00 C ATOM 243 OE1 GLU A 18 -7.602 6.289 -13.246 1.00 0.00 O ATOM 244 OE2 GLU A 18 -6.644 7.893 -12.088 1.00 0.00 O ATOM 0 H GLU A 18 -8.037 2.194 -10.877 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.348 2.959 -11.147 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.193 4.003 -12.368 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.925 4.553 -10.874 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.042 6.057 -10.449 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.186 5.438 -11.847 1.00 0.00 H new ATOM 251 N HIS A 19 -6.777 3.703 -8.277 1.00 0.00 N ATOM 252 CA HIS A 19 -6.519 4.125 -6.909 1.00 0.00 C ATOM 253 C HIS A 19 -5.486 3.202 -6.277 1.00 0.00 C ATOM 254 O HIS A 19 -4.351 3.599 -6.019 1.00 0.00 O ATOM 255 CB HIS A 19 -7.824 4.083 -6.118 1.00 0.00 C ATOM 256 CG HIS A 19 -7.854 4.974 -4.930 1.00 0.00 C ATOM 257 ND1 HIS A 19 -7.311 6.241 -4.899 1.00 0.00 N ATOM 258 CD2 HIS A 19 -8.401 4.766 -3.726 1.00 0.00 C ATOM 259 CE1 HIS A 19 -7.529 6.775 -3.709 1.00 0.00 C ATOM 260 NE2 HIS A 19 -8.191 5.897 -2.976 1.00 0.00 N ATOM 0 H HIS A 19 -7.732 3.387 -8.445 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.129 5.143 -6.901 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -8.645 4.355 -6.781 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -8.004 3.058 -5.792 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -6.820 6.694 -5.670 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -8.914 3.872 -3.403 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -7.219 7.759 -3.391 1.00 0.00 H new ATOM 269 N LEU A 20 -5.893 1.954 -6.063 1.00 0.00 N ATOM 270 CA LEU A 20 -5.027 0.925 -5.497 1.00 0.00 C ATOM 271 C LEU A 20 -3.632 0.993 -6.130 1.00 0.00 C ATOM 272 O LEU A 20 -2.617 1.115 -5.428 1.00 0.00 O ATOM 273 CB LEU A 20 -5.674 -0.445 -5.723 1.00 0.00 C ATOM 274 CG LEU A 20 -7.171 -0.493 -5.366 1.00 0.00 C ATOM 275 CD1 LEU A 20 -7.787 -1.852 -5.650 1.00 0.00 C ATOM 276 CD2 LEU A 20 -7.375 -0.106 -3.912 1.00 0.00 C ATOM 0 H LEU A 20 -6.835 1.627 -6.278 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.907 1.089 -4.426 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.550 -0.726 -6.769 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.144 -1.189 -5.128 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.683 0.228 -6.004 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -8.843 -1.836 -5.382 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.685 -2.083 -6.710 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.275 -2.614 -5.062 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.437 -0.144 -3.671 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -6.833 -0.801 -3.271 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -7.001 0.905 -3.749 1.00 0.00 H new ATOM 282 N GLU A 21 -3.590 0.954 -7.462 1.00 0.00 N ATOM 283 CA GLU A 21 -2.325 1.044 -8.182 1.00 0.00 C ATOM 284 C GLU A 21 -1.635 2.364 -7.857 1.00 0.00 C ATOM 285 O GLU A 21 -0.490 2.383 -7.398 1.00 0.00 O ATOM 286 CB GLU A 21 -2.555 0.928 -9.691 1.00 0.00 C ATOM 287 CG GLU A 21 -3.239 -0.364 -10.105 1.00 0.00 C ATOM 288 CD GLU A 21 -4.025 -0.221 -11.394 1.00 0.00 C ATOM 289 OE1 GLU A 21 -4.521 0.893 -11.667 1.00 0.00 O ATOM 290 OE2 GLU A 21 -4.144 -1.222 -12.131 1.00 0.00 O ATOM 0 H GLU A 21 -4.412 0.861 -8.058 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.685 0.220 -7.866 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.159 1.772 -10.024 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.596 1.001 -10.203 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.489 -1.145 -10.226 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -3.910 -0.687 -9.309 1.00 0.00 H new ATOM 297 N GLU A 22 -2.348 3.470 -8.078 1.00 0.00 N ATOM 298 CA GLU A 22 -1.806 4.795 -7.784 1.00 0.00 C ATOM 299 C GLU A 22 -1.257 4.826 -6.364 1.00 0.00 C ATOM 300 O GLU A 22 -0.244 5.470 -6.088 1.00 0.00 O ATOM 301 CB GLU A 22 -2.882 5.871 -7.954 1.00 0.00 C ATOM 302 CG GLU A 22 -2.383 7.278 -7.675 1.00 0.00 C ATOM 303 CD GLU A 22 -1.897 7.984 -8.926 1.00 0.00 C ATOM 304 OE1 GLU A 22 -0.919 7.504 -9.536 1.00 0.00 O ATOM 305 OE2 GLU A 22 -2.495 9.016 -9.296 1.00 0.00 O ATOM 0 H GLU A 22 -3.295 3.474 -8.457 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.999 5.003 -8.486 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.270 5.827 -8.971 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.714 5.650 -7.285 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.185 7.861 -7.222 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -1.571 7.234 -6.949 1.00 0.00 H new ATOM 312 N ARG A 23 -1.921 4.096 -5.470 1.00 0.00 N ATOM 313 CA ARG A 23 -1.486 4.012 -4.082 1.00 0.00 C ATOM 314 C ARG A 23 -0.116 3.359 -4.030 1.00 0.00 C ATOM 315 O ARG A 23 0.814 3.882 -3.413 1.00 0.00 O ATOM 316 CB ARG A 23 -2.481 3.218 -3.230 1.00 0.00 C ATOM 317 CG ARG A 23 -2.699 3.818 -1.853 1.00 0.00 C ATOM 318 CD ARG A 23 -1.420 3.817 -1.030 1.00 0.00 C ATOM 319 NE ARG A 23 -1.442 2.796 0.014 1.00 0.00 N ATOM 320 CZ ARG A 23 -1.008 1.547 -0.153 1.00 0.00 C ATOM 321 NH1 ARG A 23 -0.517 1.155 -1.323 1.00 0.00 N ATOM 322 NH2 ARG A 23 -1.065 0.687 0.854 1.00 0.00 N ATOM 0 H ARG A 23 -2.760 3.556 -5.684 1.00 0.00 H new ATOM 0 HA ARG A 23 -1.434 5.021 -3.672 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.436 3.166 -3.752 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.121 2.195 -3.121 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.065 4.840 -1.955 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -3.470 3.254 -1.328 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.567 3.646 -1.686 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.281 4.798 -0.575 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.813 3.055 0.928 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.470 1.812 -2.102 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.187 0.197 -1.442 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.441 0.981 1.755 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.733 -0.269 0.727 1.00 0.00 H new ATOM 336 N LEU A 24 0.013 2.220 -4.708 1.00 0.00 N ATOM 337 CA LEU A 24 1.291 1.517 -4.757 1.00 0.00 C ATOM 338 C LEU A 24 2.356 2.429 -5.353 1.00 0.00 C ATOM 339 O LEU A 24 3.423 2.624 -4.770 1.00 0.00 O ATOM 340 CB LEU A 24 1.177 0.244 -5.592 1.00 0.00 C ATOM 341 CG LEU A 24 2.485 -0.525 -5.780 1.00 0.00 C ATOM 342 CD1 LEU A 24 2.672 -1.542 -4.665 1.00 0.00 C ATOM 343 CD2 LEU A 24 2.510 -1.209 -7.140 1.00 0.00 C ATOM 0 H LEU A 24 -0.742 1.770 -5.225 1.00 0.00 H new ATOM 0 HA LEU A 24 1.573 1.240 -3.741 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.449 -0.417 -5.122 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.783 0.506 -6.574 1.00 0.00 H new ATOM 0 HG LEU A 24 3.311 0.185 -5.737 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.608 -2.079 -4.816 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.700 -1.028 -3.704 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.842 -2.249 -4.674 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.448 -1.752 -7.257 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.676 -1.907 -7.212 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.424 -0.459 -7.926 1.00 0.00 H new ATOM 349 N ALA A 25 2.047 2.997 -6.517 1.00 0.00 N ATOM 350 CA ALA A 25 2.968 3.903 -7.190 1.00 0.00 C ATOM 351 C ALA A 25 3.330 5.065 -6.274 1.00 0.00 C ATOM 352 O ALA A 25 4.440 5.591 -6.324 1.00 0.00 O ATOM 353 CB ALA A 25 2.359 4.415 -8.488 1.00 0.00 C ATOM 0 H ALA A 25 1.168 2.845 -7.011 1.00 0.00 H new ATOM 0 HA ALA A 25 3.879 3.356 -7.432 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.061 5.090 -8.978 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.146 3.573 -9.147 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.434 4.948 -8.270 1.00 0.00 H new ATOM 359 N LYS A 26 2.381 5.449 -5.425 1.00 0.00 N ATOM 360 CA LYS A 26 2.594 6.535 -4.481 1.00 0.00 C ATOM 361 C LYS A 26 3.513 6.080 -3.354 1.00 0.00 C ATOM 362 O LYS A 26 4.357 6.842 -2.882 1.00 0.00 O ATOM 363 CB LYS A 26 1.259 7.015 -3.907 1.00 0.00 C ATOM 364 CG LYS A 26 1.391 8.208 -2.975 1.00 0.00 C ATOM 365 CD LYS A 26 1.052 9.513 -3.682 1.00 0.00 C ATOM 366 CE LYS A 26 -0.101 10.233 -3.002 1.00 0.00 C ATOM 367 NZ LYS A 26 -0.061 11.701 -3.248 1.00 0.00 N ATOM 0 H LYS A 26 1.456 5.022 -5.374 1.00 0.00 H new ATOM 0 HA LYS A 26 3.065 7.364 -5.009 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.593 7.279 -4.729 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.789 6.193 -3.367 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.730 8.076 -2.118 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.409 8.257 -2.588 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.929 10.160 -3.694 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.792 9.308 -4.721 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.046 9.830 -3.366 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.065 10.044 -1.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.864 12.155 -2.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.830 12.091 -2.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -0.121 11.883 -4.270 1.00 0.00 H new ATOM 381 N LEU A 27 3.350 4.827 -2.935 1.00 0.00 N ATOM 382 CA LEU A 27 4.176 4.268 -1.872 1.00 0.00 C ATOM 383 C LEU A 27 5.539 3.831 -2.411 1.00 0.00 C ATOM 384 O LEU A 27 6.457 3.552 -1.642 1.00 0.00 O ATOM 385 CB LEU A 27 3.466 3.087 -1.202 1.00 0.00 C ATOM 386 CG LEU A 27 2.784 3.418 0.128 1.00 0.00 C ATOM 387 CD1 LEU A 27 2.199 2.162 0.754 1.00 0.00 C ATOM 388 CD2 LEU A 27 3.765 4.090 1.083 1.00 0.00 C ATOM 0 H LEU A 27 2.656 4.183 -3.315 1.00 0.00 H new ATOM 0 HA LEU A 27 4.337 5.047 -1.126 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.718 2.694 -1.890 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.193 2.292 -1.034 1.00 0.00 H new ATOM 0 HG LEU A 27 1.969 4.115 -0.068 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.718 2.416 1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.463 1.727 0.078 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.996 1.441 0.935 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.261 4.317 2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.603 3.420 1.274 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.133 5.014 0.636 1.00 0.00 H new ATOM 394 N GLY A 28 5.670 3.785 -3.736 1.00 0.00 N ATOM 395 CA GLY A 28 6.931 3.393 -4.339 1.00 0.00 C ATOM 396 C GLY A 28 8.067 4.314 -3.936 1.00 0.00 C ATOM 397 O GLY A 28 9.222 3.895 -3.859 1.00 0.00 O ATOM 0 H GLY A 28 4.928 4.011 -4.399 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.171 2.371 -4.044 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.830 3.396 -5.424 1.00 0.00 H new ATOM 401 N LYS A 29 7.730 5.573 -3.673 1.00 0.00 N ATOM 402 CA LYS A 29 8.718 6.566 -3.267 1.00 0.00 C ATOM 403 C LYS A 29 9.310 6.218 -1.903 1.00 0.00 C ATOM 404 O LYS A 29 10.425 6.623 -1.576 1.00 0.00 O ATOM 405 CB LYS A 29 8.070 7.954 -3.221 1.00 0.00 C ATOM 406 CG LYS A 29 8.957 9.037 -2.628 1.00 0.00 C ATOM 407 CD LYS A 29 8.134 10.196 -2.088 1.00 0.00 C ATOM 408 CE LYS A 29 8.065 10.174 -0.569 1.00 0.00 C ATOM 409 NZ LYS A 29 8.151 11.542 0.012 1.00 0.00 N ATOM 0 H LYS A 29 6.777 5.930 -3.734 1.00 0.00 H new ATOM 0 HA LYS A 29 9.526 6.569 -3.998 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.788 8.245 -4.233 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.150 7.894 -2.639 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.563 8.614 -1.826 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.646 9.402 -3.390 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.570 11.138 -2.419 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.126 10.150 -2.499 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.133 9.705 -0.255 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.878 9.562 -0.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.100 11.483 1.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.052 11.981 -0.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.361 12.119 -0.341 1.00 0.00 H new ATOM 423 N TRP A 30 8.553 5.467 -1.114 1.00 0.00 N ATOM 424 CA TRP A 30 8.990 5.066 0.211 1.00 0.00 C ATOM 425 C TRP A 30 10.099 4.027 0.126 1.00 0.00 C ATOM 426 O TRP A 30 9.826 2.848 -0.086 1.00 0.00 O ATOM 427 CB TRP A 30 7.804 4.520 0.999 1.00 0.00 C ATOM 428 CG TRP A 30 6.899 5.599 1.505 1.00 0.00 C ATOM 429 CD1 TRP A 30 5.943 6.276 0.804 1.00 0.00 C ATOM 430 CD2 TRP A 30 6.884 6.133 2.824 1.00 0.00 C ATOM 431 NE1 TRP A 30 5.331 7.200 1.618 1.00 0.00 N ATOM 432 CE2 TRP A 30 5.894 7.131 2.866 1.00 0.00 C ATOM 433 CE3 TRP A 30 7.613 5.858 3.975 1.00 0.00 C ATOM 434 CZ2 TRP A 30 5.621 7.856 4.023 1.00 0.00 C ATOM 435 CZ3 TRP A 30 7.345 6.576 5.121 1.00 0.00 C ATOM 436 CH2 TRP A 30 6.356 7.566 5.139 1.00 0.00 C ATOM 0 H TRP A 30 7.628 5.123 -1.373 1.00 0.00 H new ATOM 0 HA TRP A 30 9.390 5.939 0.727 1.00 0.00 H new ATOM 0 HB2 TRP A 30 7.234 3.841 0.365 1.00 0.00 H new ATOM 0 HB3 TRP A 30 8.172 3.935 1.842 1.00 0.00 H new ATOM 0 HD1 TRP A 30 5.703 6.110 -0.236 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.581 7.833 1.339 1.00 0.00 H new ATOM 0 HE3 TRP A 30 8.377 5.094 3.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.857 8.619 4.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 7.908 6.371 6.020 1.00 0.00 H new ATOM 0 HH2 TRP A 30 6.170 8.112 6.052 1.00 0.00 H new ATOM 447 N GLN A 31 11.349 4.485 0.276 1.00 0.00 N ATOM 448 CA GLN A 31 12.533 3.618 0.206 1.00 0.00 C ATOM 449 C GLN A 31 12.265 2.219 0.757 1.00 0.00 C ATOM 450 O GLN A 31 12.710 1.870 1.851 1.00 0.00 O ATOM 451 CB GLN A 31 13.710 4.252 0.956 1.00 0.00 C ATOM 452 CG GLN A 31 13.376 4.702 2.371 1.00 0.00 C ATOM 453 CD GLN A 31 12.664 6.041 2.404 1.00 0.00 C ATOM 454 OE1 GLN A 31 13.225 7.026 1.713 1.00 0.00 O flip ATOM 455 NE2 GLN A 31 11.623 6.188 3.043 1.00 0.00 N flip ATOM 0 H GLN A 31 11.568 5.466 0.449 1.00 0.00 H new ATOM 0 HA GLN A 31 12.784 3.515 -0.850 1.00 0.00 H new ATOM 0 HB2 GLN A 31 14.529 3.534 0.999 1.00 0.00 H new ATOM 0 HB3 GLN A 31 14.068 5.111 0.388 1.00 0.00 H new ATOM 0 HG2 GLN A 31 12.749 3.949 2.849 1.00 0.00 H new ATOM 0 HG3 GLN A 31 14.295 4.769 2.954 1.00 0.00 H new ATOM 0 HE21 GLN A 31 11.227 5.403 3.560 1.00 0.00 H new ATOM 0 HE22 GLN A 31 11.156 7.095 3.056 1.00 0.00 H new ATOM 462 N THR A 32 11.528 1.431 -0.013 1.00 0.00 N ATOM 463 CA THR A 32 11.180 0.080 0.367 1.00 0.00 C ATOM 464 C THR A 32 10.966 -0.766 -0.890 1.00 0.00 C ATOM 465 O THR A 32 10.844 -0.234 -1.993 1.00 0.00 O ATOM 466 CB THR A 32 9.920 0.114 1.242 1.00 0.00 C ATOM 467 OG1 THR A 32 10.264 0.408 2.587 1.00 0.00 O ATOM 468 CG2 THR A 32 9.127 -1.176 1.245 1.00 0.00 C ATOM 0 H THR A 32 11.157 1.716 -0.919 1.00 0.00 H new ATOM 0 HA THR A 32 11.987 -0.372 0.943 1.00 0.00 H new ATOM 0 HB THR A 32 9.293 0.889 0.801 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.618 -0.016 3.190 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.254 -1.065 1.888 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.803 -1.406 0.230 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.752 -1.987 1.619 1.00 0.00 H new ATOM 473 N GLN A 33 10.901 -2.076 -0.713 1.00 0.00 N ATOM 474 CA GLN A 33 10.680 -2.991 -1.820 1.00 0.00 C ATOM 475 C GLN A 33 9.450 -3.812 -1.521 1.00 0.00 C ATOM 476 O GLN A 33 9.505 -4.807 -0.798 1.00 0.00 O ATOM 477 CB GLN A 33 11.884 -3.901 -2.054 1.00 0.00 C ATOM 478 CG GLN A 33 12.645 -4.268 -0.790 1.00 0.00 C ATOM 479 CD GLN A 33 13.602 -3.171 -0.353 1.00 0.00 C ATOM 480 OE1 GLN A 33 13.425 -2.004 -0.700 1.00 0.00 O ATOM 481 NE2 GLN A 33 14.629 -3.540 0.406 1.00 0.00 N ATOM 0 H GLN A 33 10.999 -2.532 0.194 1.00 0.00 H new ATOM 0 HA GLN A 33 10.538 -2.413 -2.733 1.00 0.00 H new ATOM 0 HB2 GLN A 33 11.544 -4.816 -2.538 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.568 -3.409 -2.746 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.936 -4.469 0.013 1.00 0.00 H new ATOM 0 HG3 GLN A 33 13.204 -5.188 -0.960 1.00 0.00 H new ATOM 0 HE21 GLN A 33 14.741 -4.518 0.672 1.00 0.00 H new ATOM 0 HE22 GLN A 33 15.305 -2.845 0.722 1.00 0.00 H new ATOM 488 N LEU A 34 8.333 -3.356 -2.047 1.00 0.00 N ATOM 489 CA LEU A 34 7.064 -4.005 -1.810 1.00 0.00 C ATOM 490 C LEU A 34 7.069 -5.454 -2.281 1.00 0.00 C ATOM 491 O LEU A 34 6.633 -5.761 -3.391 1.00 0.00 O ATOM 492 CB LEU A 34 5.945 -3.225 -2.503 1.00 0.00 C ATOM 493 CG LEU A 34 5.588 -1.861 -1.882 1.00 0.00 C ATOM 494 CD1 LEU A 34 6.717 -1.328 -1.003 1.00 0.00 C ATOM 495 CD2 LEU A 34 5.254 -0.861 -2.978 1.00 0.00 C ATOM 0 H LEU A 34 8.280 -2.532 -2.646 1.00 0.00 H new ATOM 0 HA LEU A 34 6.890 -4.014 -0.734 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.231 -3.065 -3.543 1.00 0.00 H new ATOM 0 HB3 LEU A 34 5.048 -3.844 -2.511 1.00 0.00 H new ATOM 0 HG LEU A 34 4.715 -2.002 -1.245 1.00 0.00 H new ATOM 0 HD11 LEU A 34 6.427 -0.365 -0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.912 -2.032 -0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.619 -1.206 -1.603 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.003 0.100 -2.529 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.115 -0.741 -3.636 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.404 -1.225 -3.556 1.00 0.00 H new ATOM 501 N ILE A 35 7.548 -6.342 -1.419 1.00 0.00 N ATOM 502 CA ILE A 35 7.593 -7.761 -1.730 1.00 0.00 C ATOM 503 C ILE A 35 6.185 -8.290 -1.978 1.00 0.00 C ATOM 504 O ILE A 35 5.432 -8.542 -1.037 1.00 0.00 O ATOM 505 CB ILE A 35 8.246 -8.560 -0.589 1.00 0.00 C ATOM 506 CG1 ILE A 35 9.719 -8.160 -0.451 1.00 0.00 C ATOM 507 CG2 ILE A 35 8.110 -10.060 -0.836 1.00 0.00 C ATOM 508 CD1 ILE A 35 10.521 -9.125 0.384 1.00 0.00 C ATOM 0 H ILE A 35 7.911 -6.101 -0.497 1.00 0.00 H new ATOM 0 HA ILE A 35 8.195 -7.886 -2.630 1.00 0.00 H new ATOM 0 HB ILE A 35 7.733 -8.328 0.344 1.00 0.00 H new ATOM 0 HG12 ILE A 35 10.165 -8.091 -1.443 1.00 0.00 H new ATOM 0 HG13 ILE A 35 9.779 -7.167 -0.005 1.00 0.00 H new ATOM 0 HG21 ILE A 35 8.578 -10.607 -0.018 1.00 0.00 H new ATOM 0 HG22 ILE A 35 7.054 -10.325 -0.893 1.00 0.00 H new ATOM 0 HG23 ILE A 35 8.600 -10.320 -1.774 1.00 0.00 H new ATOM 0 HD11 ILE A 35 11.555 -8.784 0.442 1.00 0.00 H new ATOM 0 HD12 ILE A 35 10.099 -9.176 1.388 1.00 0.00 H new ATOM 0 HD13 ILE A 35 10.490 -10.114 -0.073 1.00 0.00 H new ATOM 512 N SER A 36 5.830 -8.448 -3.248 1.00 0.00 N ATOM 513 CA SER A 36 4.504 -8.937 -3.613 1.00 0.00 C ATOM 514 C SER A 36 3.422 -8.152 -2.877 1.00 0.00 C ATOM 515 O SER A 36 3.039 -8.486 -1.756 1.00 0.00 O ATOM 516 CB SER A 36 4.390 -10.428 -3.299 1.00 0.00 C ATOM 517 OG SER A 36 3.677 -11.113 -4.315 1.00 0.00 O ATOM 0 H SER A 36 6.439 -8.246 -4.041 1.00 0.00 H new ATOM 0 HA SER A 36 4.362 -8.793 -4.684 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.386 -10.858 -3.197 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.885 -10.563 -2.342 1.00 0.00 H new ATOM 0 HG SER A 36 3.620 -12.065 -4.090 1.00 0.00 H new ATOM 523 N PRO A 37 2.940 -7.075 -3.510 1.00 0.00 N ATOM 524 CA PRO A 37 1.925 -6.195 -2.948 1.00 0.00 C ATOM 525 C PRO A 37 0.498 -6.566 -3.348 1.00 0.00 C ATOM 526 O PRO A 37 0.195 -6.736 -4.531 1.00 0.00 O ATOM 527 CB PRO A 37 2.311 -4.851 -3.557 1.00 0.00 C ATOM 528 CG PRO A 37 2.915 -5.185 -4.888 1.00 0.00 C ATOM 529 CD PRO A 37 3.378 -6.611 -4.832 1.00 0.00 C ATOM 0 HA PRO A 37 1.908 -6.230 -1.859 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.441 -4.205 -3.670 1.00 0.00 H new ATOM 0 HB3 PRO A 37 3.022 -4.321 -2.923 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.183 -5.051 -5.685 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.750 -4.520 -5.107 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.935 -7.206 -5.631 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.460 -6.684 -4.942 1.00 0.00 H new ATOM 537 N HIS A 38 -0.378 -6.664 -2.352 1.00 0.00 N ATOM 538 CA HIS A 38 -1.780 -6.989 -2.587 1.00 0.00 C ATOM 539 C HIS A 38 -2.682 -5.932 -1.977 1.00 0.00 C ATOM 540 O HIS A 38 -2.232 -5.064 -1.230 1.00 0.00 O ATOM 541 CB HIS A 38 -2.144 -8.341 -1.980 1.00 0.00 C ATOM 542 CG HIS A 38 -2.372 -9.424 -2.983 1.00 0.00 C ATOM 543 ND1 HIS A 38 -3.275 -9.529 -3.986 1.00 0.00 N flip ATOM 544 CD2 HIS A 38 -1.641 -10.590 -3.003 1.00 0.00 C flip ATOM 545 CE1 HIS A 38 -3.075 -10.748 -4.586 1.00 0.00 C flip ATOM 546 NE2 HIS A 38 -2.084 -11.368 -3.973 1.00 0.00 N flip ATOM 0 H HIS A 38 -0.139 -6.522 -1.371 1.00 0.00 H new ATOM 0 HA HIS A 38 -1.924 -7.027 -3.667 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -1.346 -8.650 -1.305 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -3.045 -8.225 -1.377 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -0.831 -10.831 -2.330 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -3.637 -11.136 -5.423 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -1.722 -12.292 -4.209 1.00 0.00 H new ATOM 555 N PHE A 39 -3.962 -6.035 -2.284 1.00 0.00 N ATOM 556 CA PHE A 39 -4.948 -5.112 -1.750 1.00 0.00 C ATOM 557 C PHE A 39 -6.319 -5.771 -1.648 1.00 0.00 C ATOM 558 O PHE A 39 -6.986 -5.995 -2.652 1.00 0.00 O ATOM 559 CB PHE A 39 -5.015 -3.844 -2.598 1.00 0.00 C ATOM 560 CG PHE A 39 -4.520 -2.623 -1.875 1.00 0.00 C ATOM 561 CD1 PHE A 39 -3.164 -2.377 -1.742 1.00 0.00 C ATOM 562 CD2 PHE A 39 -5.418 -1.724 -1.321 1.00 0.00 C ATOM 563 CE1 PHE A 39 -2.711 -1.256 -1.072 1.00 0.00 C ATOM 564 CE2 PHE A 39 -4.972 -0.603 -0.649 1.00 0.00 C ATOM 565 CZ PHE A 39 -3.617 -0.368 -0.524 1.00 0.00 C ATOM 0 H PHE A 39 -4.345 -6.751 -2.902 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.637 -4.833 -0.743 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -4.424 -3.988 -3.502 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -6.045 -3.679 -2.913 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -2.452 -3.069 -2.167 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -6.479 -1.902 -1.416 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -1.651 -1.074 -0.977 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -5.682 0.089 -0.222 1.00 0.00 H new ATOM 0 HZ PHE A 39 -3.266 0.508 0.001 1.00 0.00 H new ATOM 575 N VAL A 40 -6.735 -6.079 -0.425 1.00 0.00 N ATOM 576 CA VAL A 40 -8.022 -6.703 -0.195 1.00 0.00 C ATOM 577 C VAL A 40 -9.046 -5.653 0.228 1.00 0.00 C ATOM 578 O VAL A 40 -9.014 -5.155 1.353 1.00 0.00 O ATOM 579 CB VAL A 40 -7.910 -7.797 0.881 1.00 0.00 C ATOM 580 CG1 VAL A 40 -9.264 -8.424 1.144 1.00 0.00 C ATOM 581 CG2 VAL A 40 -6.898 -8.854 0.461 1.00 0.00 C ATOM 0 H VAL A 40 -6.194 -5.904 0.422 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.352 -7.166 -1.125 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.562 -7.339 1.807 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -9.166 -9.196 1.908 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -9.959 -7.658 1.489 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -9.643 -8.870 0.225 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.831 -9.620 1.233 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.216 -9.310 -0.476 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -5.921 -8.389 0.325 1.00 0.00 H new ATOM 585 N LEU A 41 -9.939 -5.306 -0.692 1.00 0.00 N ATOM 586 CA LEU A 41 -10.961 -4.296 -0.431 1.00 0.00 C ATOM 587 C LEU A 41 -12.351 -4.906 -0.353 1.00 0.00 C ATOM 588 O LEU A 41 -12.662 -5.861 -1.062 1.00 0.00 O ATOM 589 CB LEU A 41 -10.940 -3.228 -1.527 1.00 0.00 C ATOM 590 CG LEU A 41 -11.241 -3.730 -2.937 1.00 0.00 C ATOM 591 CD1 LEU A 41 -11.752 -2.597 -3.816 1.00 0.00 C ATOM 592 CD2 LEU A 41 -10.005 -4.365 -3.552 1.00 0.00 C ATOM 0 H LEU A 41 -9.977 -5.710 -1.628 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.731 -3.844 0.534 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.666 -2.456 -1.272 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.958 -2.754 -1.530 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.022 -4.488 -2.869 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -11.960 -2.978 -4.816 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.666 -2.187 -3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.996 -1.814 -3.876 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.238 -4.717 -4.557 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.204 -3.627 -3.603 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.685 -5.207 -2.938 1.00 0.00 H new ATOM 598 N ASN A 42 -13.197 -4.338 0.500 1.00 0.00 N ATOM 599 CA ASN A 42 -14.559 -4.828 0.640 1.00 0.00 C ATOM 600 C ASN A 42 -15.521 -3.717 1.048 1.00 0.00 C ATOM 601 O ASN A 42 -15.112 -2.636 1.474 1.00 0.00 O ATOM 602 CB ASN A 42 -14.633 -5.971 1.650 1.00 0.00 C ATOM 603 CG ASN A 42 -13.545 -7.000 1.436 1.00 0.00 C ATOM 604 OD1 ASN A 42 -13.508 -7.677 0.410 1.00 0.00 O ATOM 605 ND2 ASN A 42 -12.653 -7.122 2.406 1.00 0.00 N ATOM 0 H ASN A 42 -12.965 -3.545 1.099 1.00 0.00 H new ATOM 0 HA ASN A 42 -14.862 -5.200 -0.339 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -14.554 -5.566 2.659 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -15.607 -6.455 1.576 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.895 -7.799 2.320 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -12.723 -6.539 3.240 1.00 0.00 H new ATOM 610 N LYS A 43 -16.806 -4.005 0.916 1.00 0.00 N ATOM 611 CA LYS A 43 -17.853 -3.051 1.268 1.00 0.00 C ATOM 612 C LYS A 43 -18.833 -3.678 2.249 1.00 0.00 C ATOM 613 O LYS A 43 -18.864 -4.895 2.425 1.00 0.00 O ATOM 614 CB LYS A 43 -18.624 -2.609 0.013 1.00 0.00 C ATOM 615 CG LYS A 43 -20.111 -2.341 0.265 1.00 0.00 C ATOM 616 CD LYS A 43 -20.820 -1.869 -0.994 1.00 0.00 C ATOM 617 CE LYS A 43 -20.690 -2.876 -2.125 1.00 0.00 C ATOM 618 NZ LYS A 43 -21.314 -4.183 -1.779 1.00 0.00 N ATOM 0 H LYS A 43 -17.154 -4.898 0.565 1.00 0.00 H new ATOM 0 HA LYS A 43 -17.377 -2.185 1.727 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -18.164 -1.705 -0.386 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -18.528 -3.380 -0.752 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -20.587 -3.250 0.631 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -20.218 -1.588 1.046 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -21.875 -1.701 -0.776 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -20.403 -0.912 -1.309 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -21.160 -2.476 -3.023 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -19.636 -3.027 -2.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -21.710 -4.617 -2.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -20.595 -4.814 -1.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -22.074 -4.032 -1.086 1.00 0.00 H new ATOM 632 N VAL A 44 -19.657 -2.837 2.853 1.00 0.00 N ATOM 633 CA VAL A 44 -20.668 -3.300 3.775 1.00 0.00 C ATOM 634 C VAL A 44 -21.751 -2.241 3.985 1.00 0.00 C ATOM 635 O VAL A 44 -21.541 -1.059 3.721 1.00 0.00 O ATOM 636 CB VAL A 44 -20.073 -3.687 5.129 1.00 0.00 C ATOM 637 CG1 VAL A 44 -19.493 -5.092 5.079 1.00 0.00 C ATOM 638 CG2 VAL A 44 -19.026 -2.681 5.590 1.00 0.00 C ATOM 0 H VAL A 44 -19.641 -1.826 2.717 1.00 0.00 H new ATOM 0 HA VAL A 44 -21.113 -4.188 3.326 1.00 0.00 H new ATOM 0 HB VAL A 44 -20.881 -3.675 5.861 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -19.075 -5.348 6.052 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -20.280 -5.802 4.824 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -18.708 -5.135 4.324 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -18.626 -2.989 6.556 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -18.218 -2.636 4.860 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -19.484 -1.697 5.685 1.00 0.00 H new ATOM 642 N PRO A 45 -22.939 -2.654 4.456 1.00 0.00 N ATOM 643 CA PRO A 45 -24.055 -1.733 4.689 1.00 0.00 C ATOM 644 C PRO A 45 -23.651 -0.519 5.521 1.00 0.00 C ATOM 645 O PRO A 45 -24.071 0.604 5.245 1.00 0.00 O ATOM 646 CB PRO A 45 -25.067 -2.590 5.452 1.00 0.00 C ATOM 647 CG PRO A 45 -24.773 -3.988 5.028 1.00 0.00 C ATOM 648 CD PRO A 45 -23.289 -4.047 4.793 1.00 0.00 C ATOM 0 HA PRO A 45 -24.439 -1.319 3.757 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -24.954 -2.471 6.530 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -26.091 -2.308 5.205 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -25.075 -4.700 5.796 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -25.322 -4.244 4.122 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -22.756 -4.392 5.679 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -23.038 -4.731 3.983 1.00 0.00 H new ATOM 656 N ASN A 46 -22.844 -0.757 6.548 1.00 0.00 N ATOM 657 CA ASN A 46 -22.392 0.312 7.433 1.00 0.00 C ATOM 658 C ASN A 46 -21.222 1.100 6.839 1.00 0.00 C ATOM 659 O ASN A 46 -20.700 2.012 7.479 1.00 0.00 O ATOM 660 CB ASN A 46 -21.988 -0.266 8.790 1.00 0.00 C ATOM 661 CG ASN A 46 -23.171 -0.435 9.722 1.00 0.00 C ATOM 662 OD1 ASN A 46 -23.203 0.135 10.813 1.00 0.00 O ATOM 663 ND2 ASN A 46 -24.152 -1.221 9.296 1.00 0.00 N ATOM 0 H ASN A 46 -22.488 -1.682 6.790 1.00 0.00 H new ATOM 0 HA ASN A 46 -23.226 1.003 7.557 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -21.505 -1.232 8.641 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -21.252 0.389 9.256 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -24.974 -1.372 9.880 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -24.084 -1.674 8.384 1.00 0.00 H new ATOM 668 N GLY A 47 -20.802 0.746 5.624 1.00 0.00 N ATOM 669 CA GLY A 47 -19.694 1.441 5.006 1.00 0.00 C ATOM 670 C GLY A 47 -18.879 0.548 4.102 1.00 0.00 C ATOM 671 O GLY A 47 -19.393 -0.377 3.482 1.00 0.00 O ATOM 0 H GLY A 47 -21.209 -0.004 5.065 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -20.075 2.284 4.430 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -19.049 1.851 5.783 1.00 0.00 H new ATOM 675 N PHE A 48 -17.604 0.841 4.037 1.00 0.00 N ATOM 676 CA PHE A 48 -16.673 0.086 3.222 1.00 0.00 C ATOM 677 C PHE A 48 -15.552 -0.473 4.082 1.00 0.00 C ATOM 678 O PHE A 48 -14.822 0.286 4.728 1.00 0.00 O ATOM 679 CB PHE A 48 -16.063 0.974 2.139 1.00 0.00 C ATOM 680 CG PHE A 48 -16.921 1.170 0.926 1.00 0.00 C ATOM 681 CD1 PHE A 48 -17.826 2.216 0.856 1.00 0.00 C ATOM 682 CD2 PHE A 48 -16.805 0.317 -0.156 1.00 0.00 C ATOM 683 CE1 PHE A 48 -18.601 2.401 -0.273 1.00 0.00 C ATOM 684 CE2 PHE A 48 -17.572 0.497 -1.286 1.00 0.00 C ATOM 685 CZ PHE A 48 -18.471 1.538 -1.346 1.00 0.00 C ATOM 0 H PHE A 48 -17.177 1.613 4.549 1.00 0.00 H new ATOM 0 HA PHE A 48 -17.224 -0.731 2.755 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -15.842 1.950 2.572 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -15.112 0.541 1.828 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -17.927 2.893 1.691 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -16.103 -0.502 -0.115 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -19.307 3.217 -0.317 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -17.468 -0.177 -2.123 1.00 0.00 H new ATOM 0 HZ PHE A 48 -19.074 1.681 -2.230 1.00 0.00 H new ATOM 695 N SER A 49 -15.393 -1.792 4.066 1.00 0.00 N ATOM 696 CA SER A 49 -14.327 -2.426 4.815 1.00 0.00 C ATOM 697 C SER A 49 -13.203 -2.758 3.863 1.00 0.00 C ATOM 698 O SER A 49 -13.387 -3.473 2.880 1.00 0.00 O ATOM 699 CB SER A 49 -14.794 -3.681 5.537 1.00 0.00 C ATOM 700 OG SER A 49 -16.144 -3.985 5.231 1.00 0.00 O ATOM 0 H SER A 49 -15.988 -2.435 3.544 1.00 0.00 H new ATOM 0 HA SER A 49 -13.986 -1.732 5.584 1.00 0.00 H new ATOM 0 HB2 SER A 49 -14.158 -4.521 5.257 1.00 0.00 H new ATOM 0 HB3 SER A 49 -14.686 -3.544 6.613 1.00 0.00 H new ATOM 0 HG SER A 49 -16.413 -4.797 5.709 1.00 0.00 H new ATOM 706 N VAL A 50 -12.055 -2.199 4.141 1.00 0.00 N ATOM 707 CA VAL A 50 -10.895 -2.387 3.288 1.00 0.00 C ATOM 708 C VAL A 50 -9.679 -2.856 4.080 1.00 0.00 C ATOM 709 O VAL A 50 -9.558 -2.575 5.271 1.00 0.00 O ATOM 710 CB VAL A 50 -10.569 -1.070 2.556 1.00 0.00 C ATOM 711 CG1 VAL A 50 -10.087 -0.015 3.538 1.00 0.00 C ATOM 712 CG2 VAL A 50 -9.552 -1.296 1.449 1.00 0.00 C ATOM 0 H VAL A 50 -11.891 -1.606 4.954 1.00 0.00 H new ATOM 0 HA VAL A 50 -11.136 -3.164 2.562 1.00 0.00 H new ATOM 0 HB VAL A 50 -11.485 -0.705 2.092 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -9.862 0.906 3.001 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.865 0.176 4.277 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.188 -0.370 4.041 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -9.341 -0.350 0.950 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.632 -1.694 1.876 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.953 -2.006 0.726 1.00 0.00 H new ATOM 716 N GLU A 51 -8.783 -3.571 3.407 1.00 0.00 N ATOM 717 CA GLU A 51 -7.571 -4.084 4.035 1.00 0.00 C ATOM 718 C GLU A 51 -6.449 -4.196 3.009 1.00 0.00 C ATOM 719 O GLU A 51 -6.651 -4.697 1.902 1.00 0.00 O ATOM 720 CB GLU A 51 -7.855 -5.441 4.691 1.00 0.00 C ATOM 721 CG GLU A 51 -6.615 -6.257 5.032 1.00 0.00 C ATOM 722 CD GLU A 51 -6.940 -7.708 5.333 1.00 0.00 C ATOM 723 OE1 GLU A 51 -7.709 -8.316 4.559 1.00 0.00 O ATOM 724 OE2 GLU A 51 -6.425 -8.235 6.341 1.00 0.00 O ATOM 0 H GLU A 51 -8.875 -3.809 2.420 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.250 -3.388 4.810 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.426 -5.275 5.604 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -8.486 -6.027 4.023 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -5.913 -6.210 4.200 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.117 -5.813 5.894 1.00 0.00 H new ATOM 731 N ALA A 52 -5.270 -3.721 3.384 1.00 0.00 N ATOM 732 CA ALA A 52 -4.113 -3.758 2.496 1.00 0.00 C ATOM 733 C ALA A 52 -3.030 -4.682 3.038 1.00 0.00 C ATOM 734 O ALA A 52 -2.943 -4.910 4.245 1.00 0.00 O ATOM 735 CB ALA A 52 -3.560 -2.356 2.296 1.00 0.00 C ATOM 0 H ALA A 52 -5.088 -3.305 4.297 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.439 -4.152 1.533 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.697 -2.397 1.632 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.328 -1.721 1.854 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.258 -1.943 3.259 1.00 0.00 H new ATOM 741 N SER A 53 -2.208 -5.206 2.133 1.00 0.00 N ATOM 742 CA SER A 53 -1.123 -6.105 2.507 1.00 0.00 C ATOM 743 C SER A 53 0.017 -6.037 1.492 1.00 0.00 C ATOM 744 O SER A 53 -0.170 -6.354 0.316 1.00 0.00 O ATOM 745 CB SER A 53 -1.640 -7.541 2.618 1.00 0.00 C ATOM 746 OG SER A 53 -2.814 -7.602 3.409 1.00 0.00 O ATOM 0 H SER A 53 -2.274 -5.022 1.132 1.00 0.00 H new ATOM 0 HA SER A 53 -0.739 -5.788 3.477 1.00 0.00 H new ATOM 0 HB2 SER A 53 -1.848 -7.934 1.623 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.869 -8.175 3.056 1.00 0.00 H new ATOM 0 HG SER A 53 -3.124 -8.530 3.463 1.00 0.00 H new ATOM 752 N ILE A 54 1.197 -5.623 1.951 1.00 0.00 N ATOM 753 CA ILE A 54 2.363 -5.516 1.076 1.00 0.00 C ATOM 754 C ILE A 54 3.632 -5.990 1.780 1.00 0.00 C ATOM 755 O ILE A 54 4.076 -5.382 2.751 1.00 0.00 O ATOM 756 CB ILE A 54 2.581 -4.069 0.595 1.00 0.00 C ATOM 757 CG1 ILE A 54 1.269 -3.464 0.085 1.00 0.00 C ATOM 758 CG2 ILE A 54 3.645 -4.032 -0.490 1.00 0.00 C ATOM 759 CD1 ILE A 54 1.413 -2.048 -0.434 1.00 0.00 C ATOM 0 H ILE A 54 1.371 -5.357 2.920 1.00 0.00 H new ATOM 0 HA ILE A 54 2.162 -6.155 0.216 1.00 0.00 H new ATOM 0 HB ILE A 54 2.924 -3.471 1.439 1.00 0.00 H new ATOM 0 HG12 ILE A 54 0.873 -4.095 -0.711 1.00 0.00 H new ATOM 0 HG13 ILE A 54 0.537 -3.473 0.892 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.790 -3.004 -0.822 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.583 -4.421 -0.093 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.326 -4.644 -1.334 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.444 -1.686 -0.778 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.779 -1.403 0.365 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.120 -2.035 -1.263 1.00 0.00 H new ATOM 763 N GLY A 55 4.218 -7.074 1.286 1.00 0.00 N ATOM 764 CA GLY A 55 5.421 -7.595 1.881 1.00 0.00 C ATOM 765 C GLY A 55 6.564 -6.612 1.847 1.00 0.00 C ATOM 766 O GLY A 55 6.667 -5.776 0.950 1.00 0.00 O ATOM 0 H GLY A 55 3.876 -7.599 0.481 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.218 -7.873 2.915 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.715 -8.505 1.358 1.00 0.00 H new ATOM 770 N THR A 56 7.425 -6.736 2.834 1.00 0.00 N ATOM 771 CA THR A 56 8.602 -5.880 2.957 1.00 0.00 C ATOM 772 C THR A 56 9.728 -6.624 3.663 1.00 0.00 C ATOM 773 O THR A 56 9.480 -7.366 4.614 1.00 0.00 O ATOM 774 CB THR A 56 8.299 -4.592 3.731 1.00 0.00 C ATOM 775 OG1 THR A 56 8.799 -4.671 5.061 1.00 0.00 O ATOM 776 CG2 THR A 56 6.828 -4.252 3.800 1.00 0.00 C ATOM 0 H THR A 56 7.336 -7.430 3.577 1.00 0.00 H new ATOM 0 HA THR A 56 8.905 -5.612 1.945 1.00 0.00 H new ATOM 0 HB THR A 56 8.799 -3.802 3.171 1.00 0.00 H new ATOM 0 HG1 THR A 56 8.097 -5.009 5.655 1.00 0.00 H new ATOM 0 HG21 THR A 56 6.694 -3.328 4.363 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.437 -4.122 2.791 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.291 -5.060 4.296 1.00 0.00 H new ATOM 781 N PRO A 57 10.990 -6.425 3.243 1.00 0.00 N ATOM 782 CA PRO A 57 12.121 -7.079 3.896 1.00 0.00 C ATOM 783 C PRO A 57 12.158 -6.772 5.392 1.00 0.00 C ATOM 784 O PRO A 57 12.858 -7.440 6.154 1.00 0.00 O ATOM 785 CB PRO A 57 13.351 -6.478 3.212 1.00 0.00 C ATOM 786 CG PRO A 57 12.858 -5.908 1.928 1.00 0.00 C ATOM 787 CD PRO A 57 11.416 -5.543 2.137 1.00 0.00 C ATOM 0 HA PRO A 57 12.065 -8.164 3.807 1.00 0.00 H new ATOM 0 HB2 PRO A 57 13.807 -5.707 3.833 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.112 -7.238 3.037 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.441 -5.031 1.646 1.00 0.00 H new ATOM 0 HG3 PRO A 57 12.960 -6.632 1.120 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.303 -4.491 2.397 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.825 -5.714 1.237 1.00 0.00 H new ATOM 795 N LEU A 58 11.412 -5.745 5.806 1.00 0.00 N ATOM 796 CA LEU A 58 11.381 -5.346 7.208 1.00 0.00 C ATOM 797 C LEU A 58 10.109 -5.833 7.908 1.00 0.00 C ATOM 798 O LEU A 58 9.962 -5.677 9.119 1.00 0.00 O ATOM 799 CB LEU A 58 11.505 -3.825 7.316 1.00 0.00 C ATOM 800 CG LEU A 58 12.898 -3.270 6.992 1.00 0.00 C ATOM 801 CD1 LEU A 58 12.914 -2.610 5.619 1.00 0.00 C ATOM 802 CD2 LEU A 58 13.343 -2.285 8.063 1.00 0.00 C ATOM 0 H LEU A 58 10.826 -5.180 5.192 1.00 0.00 H new ATOM 0 HA LEU A 58 12.227 -5.814 7.712 1.00 0.00 H new ATOM 0 HB2 LEU A 58 10.781 -3.366 6.643 1.00 0.00 H new ATOM 0 HB3 LEU A 58 11.235 -3.523 8.328 1.00 0.00 H new ATOM 0 HG LEU A 58 13.600 -4.104 6.976 1.00 0.00 H new ATOM 0 HD11 LEU A 58 13.912 -2.224 5.412 1.00 0.00 H new ATOM 0 HD12 LEU A 58 12.644 -3.344 4.859 1.00 0.00 H new ATOM 0 HD13 LEU A 58 12.197 -1.789 5.602 1.00 0.00 H new ATOM 0 HD21 LEU A 58 14.333 -1.902 7.816 1.00 0.00 H new ATOM 0 HD22 LEU A 58 12.636 -1.457 8.113 1.00 0.00 H new ATOM 0 HD23 LEU A 58 13.379 -2.789 9.029 1.00 0.00 H new ATOM 808 N GLY A 59 9.198 -6.430 7.143 1.00 0.00 N ATOM 809 CA GLY A 59 7.963 -6.936 7.714 1.00 0.00 C ATOM 810 C GLY A 59 6.765 -6.712 6.815 1.00 0.00 C ATOM 811 O GLY A 59 6.529 -5.601 6.345 1.00 0.00 O ATOM 0 H GLY A 59 9.294 -6.572 6.138 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.069 -8.003 7.911 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.787 -6.451 8.674 1.00 0.00 H new ATOM 815 N ASN A 60 6.011 -7.779 6.575 1.00 0.00 N ATOM 816 CA ASN A 60 4.830 -7.719 5.722 1.00 0.00 C ATOM 817 C ASN A 60 3.891 -6.589 6.133 1.00 0.00 C ATOM 818 O ASN A 60 3.372 -6.575 7.248 1.00 0.00 O ATOM 819 CB ASN A 60 4.080 -9.047 5.779 1.00 0.00 C ATOM 820 CG ASN A 60 4.975 -10.232 5.475 1.00 0.00 C ATOM 821 OD1 ASN A 60 6.168 -10.072 5.211 1.00 0.00 O ATOM 822 ND2 ASN A 60 4.406 -11.432 5.511 1.00 0.00 N ATOM 0 H ASN A 60 6.199 -8.703 6.963 1.00 0.00 H new ATOM 0 HA ASN A 60 5.169 -7.524 4.704 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.642 -9.171 6.769 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.256 -9.026 5.066 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.961 -12.265 5.316 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.415 -11.520 5.734 1.00 0.00 H new ATOM 827 N LEU A 61 3.658 -5.654 5.216 1.00 0.00 N ATOM 828 CA LEU A 61 2.757 -4.538 5.484 1.00 0.00 C ATOM 829 C LEU A 61 1.318 -5.025 5.478 1.00 0.00 C ATOM 830 O LEU A 61 0.938 -5.835 4.637 1.00 0.00 O ATOM 831 CB LEU A 61 2.897 -3.430 4.432 1.00 0.00 C ATOM 832 CG LEU A 61 4.175 -2.589 4.496 1.00 0.00 C ATOM 833 CD1 LEU A 61 4.735 -2.363 3.098 1.00 0.00 C ATOM 834 CD2 LEU A 61 3.903 -1.251 5.171 1.00 0.00 C ATOM 0 H LEU A 61 4.078 -5.647 4.286 1.00 0.00 H new ATOM 0 HA LEU A 61 3.023 -4.132 6.460 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.838 -3.887 3.444 1.00 0.00 H new ATOM 0 HB3 LEU A 61 2.042 -2.760 4.525 1.00 0.00 H new ATOM 0 HG LEU A 61 4.912 -3.134 5.086 1.00 0.00 H new ATOM 0 HD11 LEU A 61 5.643 -1.764 3.162 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.966 -3.324 2.639 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.997 -1.839 2.491 1.00 0.00 H new ATOM 0 HD21 LEU A 61 4.823 -0.668 5.207 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.149 -0.704 4.605 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.542 -1.422 6.185 1.00 0.00 H new ATOM 840 N LEU A 62 0.520 -4.512 6.400 1.00 0.00 N ATOM 841 CA LEU A 62 -0.883 -4.878 6.482 1.00 0.00 C ATOM 842 C LEU A 62 -1.680 -3.746 7.104 1.00 0.00 C ATOM 843 O LEU A 62 -1.167 -2.983 7.920 1.00 0.00 O ATOM 844 CB LEU A 62 -1.084 -6.153 7.298 1.00 0.00 C ATOM 845 CG LEU A 62 -0.155 -7.316 6.942 1.00 0.00 C ATOM 846 CD1 LEU A 62 -0.218 -8.395 8.010 1.00 0.00 C ATOM 847 CD2 LEU A 62 -0.523 -7.887 5.581 1.00 0.00 C ATOM 0 H LEU A 62 0.822 -3.839 7.104 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.236 -5.064 5.468 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.950 -5.913 8.353 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.115 -6.484 7.175 1.00 0.00 H new ATOM 0 HG LEU A 62 0.868 -6.942 6.895 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.449 -9.214 7.740 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.090 -7.977 8.968 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.239 -8.769 8.089 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.146 -8.713 5.340 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.552 -8.247 5.604 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.427 -7.110 4.823 1.00 0.00 H new ATOM 853 N ALA A 63 -2.937 -3.647 6.715 1.00 0.00 N ATOM 854 CA ALA A 63 -3.814 -2.609 7.236 1.00 0.00 C ATOM 855 C ALA A 63 -5.267 -2.920 6.925 1.00 0.00 C ATOM 856 O ALA A 63 -5.562 -3.772 6.088 1.00 0.00 O ATOM 857 CB ALA A 63 -3.425 -1.255 6.670 1.00 0.00 C ATOM 0 H ALA A 63 -3.377 -4.272 6.039 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.700 -2.579 8.320 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.090 -0.489 7.069 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -2.397 -1.025 6.951 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -3.508 -1.277 5.583 1.00 0.00 H new ATOM 863 N SER A 64 -6.171 -2.224 7.601 1.00 0.00 N ATOM 864 CA SER A 64 -7.597 -2.430 7.394 1.00 0.00 C ATOM 865 C SER A 64 -8.400 -1.273 7.977 1.00 0.00 C ATOM 866 O SER A 64 -8.094 -0.778 9.061 1.00 0.00 O ATOM 867 CB SER A 64 -8.041 -3.749 8.031 1.00 0.00 C ATOM 868 OG SER A 64 -7.284 -4.035 9.193 1.00 0.00 O ATOM 0 H SER A 64 -5.942 -1.513 8.296 1.00 0.00 H new ATOM 0 HA SER A 64 -7.783 -2.474 6.321 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.099 -3.695 8.287 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.928 -4.560 7.311 1.00 0.00 H new ATOM 0 HG SER A 64 -7.588 -4.882 9.582 1.00 0.00 H new ATOM 874 N ALA A 65 -9.427 -0.843 7.251 1.00 0.00 N ATOM 875 CA ALA A 65 -10.264 0.260 7.704 1.00 0.00 C ATOM 876 C ALA A 65 -11.700 0.112 7.215 1.00 0.00 C ATOM 877 O ALA A 65 -11.945 -0.292 6.077 1.00 0.00 O ATOM 878 CB ALA A 65 -9.682 1.586 7.238 1.00 0.00 C ATOM 0 H ALA A 65 -9.698 -1.240 6.351 1.00 0.00 H new ATOM 0 HA ALA A 65 -10.281 0.240 8.794 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.316 2.403 7.583 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.679 1.707 7.648 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.633 1.599 6.149 1.00 0.00 H new ATOM 884 N THR A 66 -12.644 0.454 8.084 1.00 0.00 N ATOM 885 CA THR A 66 -14.063 0.377 7.755 1.00 0.00 C ATOM 886 C THR A 66 -14.701 1.757 7.868 1.00 0.00 C ATOM 887 O THR A 66 -14.688 2.365 8.939 1.00 0.00 O ATOM 888 CB THR A 66 -14.774 -0.602 8.690 1.00 0.00 C ATOM 889 OG1 THR A 66 -14.208 -1.897 8.587 1.00 0.00 O ATOM 890 CG2 THR A 66 -16.259 -0.724 8.417 1.00 0.00 C ATOM 0 H THR A 66 -12.451 0.789 9.028 1.00 0.00 H new ATOM 0 HA THR A 66 -14.163 0.020 6.730 1.00 0.00 H new ATOM 0 HB THR A 66 -14.640 -0.192 9.691 1.00 0.00 H new ATOM 0 HG1 THR A 66 -14.676 -2.508 9.194 1.00 0.00 H new ATOM 0 HG21 THR A 66 -16.700 -1.434 9.116 1.00 0.00 H new ATOM 0 HG22 THR A 66 -16.733 0.250 8.541 1.00 0.00 H new ATOM 0 HG23 THR A 66 -16.414 -1.075 7.397 1.00 0.00 H new ATOM 895 N SER A 67 -15.253 2.260 6.766 1.00 0.00 N ATOM 896 CA SER A 67 -15.877 3.577 6.781 1.00 0.00 C ATOM 897 C SER A 67 -16.838 3.747 5.615 1.00 0.00 C ATOM 898 O SER A 67 -16.717 3.074 4.595 1.00 0.00 O ATOM 899 CB SER A 67 -14.806 4.665 6.726 1.00 0.00 C ATOM 900 OG SER A 67 -14.757 5.398 7.936 1.00 0.00 O ATOM 0 H SER A 67 -15.280 1.783 5.865 1.00 0.00 H new ATOM 0 HA SER A 67 -16.444 3.668 7.708 1.00 0.00 H new ATOM 0 HB2 SER A 67 -13.834 4.212 6.533 1.00 0.00 H new ATOM 0 HB3 SER A 67 -15.013 5.341 5.897 1.00 0.00 H new ATOM 0 HG SER A 67 -14.062 6.086 7.874 1.00 0.00 H new ATOM 906 N ASP A 68 -17.780 4.671 5.764 1.00 0.00 N ATOM 907 CA ASP A 68 -18.751 4.941 4.716 1.00 0.00 C ATOM 908 C ASP A 68 -18.115 5.729 3.573 1.00 0.00 C ATOM 909 O ASP A 68 -18.783 6.066 2.595 1.00 0.00 O ATOM 910 CB ASP A 68 -19.942 5.717 5.283 1.00 0.00 C ATOM 911 CG ASP A 68 -21.250 5.339 4.613 1.00 0.00 C ATOM 912 OD1 ASP A 68 -21.313 4.249 4.008 1.00 0.00 O ATOM 913 OD2 ASP A 68 -22.209 6.134 4.696 1.00 0.00 O ATOM 0 H ASP A 68 -17.890 5.244 6.600 1.00 0.00 H new ATOM 0 HA ASP A 68 -19.100 3.985 4.325 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -20.018 5.529 6.354 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -19.768 6.786 5.158 1.00 0.00 H new ATOM 918 N ASP A 69 -16.823 6.025 3.701 1.00 0.00 N ATOM 919 CA ASP A 69 -16.111 6.774 2.678 1.00 0.00 C ATOM 920 C ASP A 69 -15.022 5.922 2.031 1.00 0.00 C ATOM 921 O ASP A 69 -13.909 5.818 2.543 1.00 0.00 O ATOM 922 CB ASP A 69 -15.502 8.037 3.285 1.00 0.00 C ATOM 923 CG ASP A 69 -16.491 9.183 3.345 1.00 0.00 C ATOM 924 OD1 ASP A 69 -17.272 9.244 4.318 1.00 0.00 O ATOM 925 OD2 ASP A 69 -16.485 10.022 2.419 1.00 0.00 O ATOM 0 H ASP A 69 -16.252 5.756 4.503 1.00 0.00 H new ATOM 0 HA ASP A 69 -16.823 7.056 1.903 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.143 7.817 4.291 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -14.636 8.339 2.696 1.00 0.00 H new ATOM 930 N MET A 70 -15.368 5.314 0.904 1.00 0.00 N ATOM 931 CA MET A 70 -14.463 4.453 0.149 1.00 0.00 C ATOM 932 C MET A 70 -13.023 4.973 0.119 1.00 0.00 C ATOM 933 O MET A 70 -12.120 4.377 0.717 1.00 0.00 O ATOM 934 CB MET A 70 -14.990 4.325 -1.282 1.00 0.00 C ATOM 935 CG MET A 70 -15.554 2.952 -1.607 1.00 0.00 C ATOM 936 SD MET A 70 -14.779 2.200 -3.049 1.00 0.00 S ATOM 937 CE MET A 70 -13.291 1.532 -2.312 1.00 0.00 C ATOM 0 H MET A 70 -16.293 5.404 0.483 1.00 0.00 H new ATOM 0 HA MET A 70 -14.435 3.485 0.650 1.00 0.00 H new ATOM 0 HB2 MET A 70 -15.766 5.073 -1.442 1.00 0.00 H new ATOM 0 HB3 MET A 70 -14.182 4.550 -1.978 1.00 0.00 H new ATOM 0 HG2 MET A 70 -15.421 2.297 -0.746 1.00 0.00 H new ATOM 0 HG3 MET A 70 -16.627 3.037 -1.780 1.00 0.00 H new ATOM 0 HE1 MET A 70 -12.436 1.761 -2.948 1.00 0.00 H new ATOM 0 HE2 MET A 70 -13.141 1.976 -1.328 1.00 0.00 H new ATOM 0 HE3 MET A 70 -13.389 0.451 -2.211 1.00 0.00 H new ATOM 947 N TYR A 71 -12.809 6.067 -0.601 1.00 0.00 N ATOM 948 CA TYR A 71 -11.476 6.634 -0.736 1.00 0.00 C ATOM 949 C TYR A 71 -10.917 7.096 0.594 1.00 0.00 C ATOM 950 O TYR A 71 -9.703 7.145 0.762 1.00 0.00 O ATOM 951 CB TYR A 71 -11.466 7.749 -1.780 1.00 0.00 C ATOM 952 CG TYR A 71 -11.166 7.217 -3.167 1.00 0.00 C ATOM 953 CD1 TYR A 71 -11.351 5.868 -3.460 1.00 0.00 C ATOM 954 CD2 TYR A 71 -10.690 8.044 -4.175 1.00 0.00 C ATOM 955 CE1 TYR A 71 -11.076 5.359 -4.705 1.00 0.00 C ATOM 956 CE2 TYR A 71 -10.412 7.542 -5.433 1.00 0.00 C ATOM 957 CZ TYR A 71 -10.604 6.199 -5.693 1.00 0.00 C ATOM 958 OH TYR A 71 -10.331 5.699 -6.945 1.00 0.00 O ATOM 0 H TYR A 71 -13.539 6.577 -1.098 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.813 5.843 -1.088 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -12.433 8.252 -1.785 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.720 8.496 -1.508 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -11.719 5.207 -2.690 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.535 9.094 -3.974 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -11.228 4.309 -4.910 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -10.046 8.197 -6.209 1.00 0.00 H new ATOM 0 HH TYR A 71 -10.008 6.422 -7.523 1.00 0.00 H new ATOM 968 N LYS A 72 -11.790 7.383 1.552 1.00 0.00 N ATOM 969 CA LYS A 72 -11.334 7.777 2.875 1.00 0.00 C ATOM 970 C LYS A 72 -10.837 6.536 3.603 1.00 0.00 C ATOM 971 O LYS A 72 -9.825 6.568 4.297 1.00 0.00 O ATOM 972 CB LYS A 72 -12.440 8.423 3.667 1.00 0.00 C ATOM 973 CG LYS A 72 -11.977 9.042 4.977 1.00 0.00 C ATOM 974 CD LYS A 72 -12.278 10.533 5.031 1.00 0.00 C ATOM 975 CE LYS A 72 -12.890 10.929 6.366 1.00 0.00 C ATOM 976 NZ LYS A 72 -14.148 10.180 6.645 1.00 0.00 N ATOM 0 H LYS A 72 -12.803 7.351 1.439 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.532 8.508 2.770 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -12.908 9.195 3.057 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -13.206 7.677 3.879 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.469 8.541 5.811 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.905 8.882 5.097 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.359 11.097 4.869 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -12.961 10.797 4.224 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.172 10.742 7.164 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.097 11.999 6.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.773 10.760 7.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -14.628 9.962 5.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.922 9.294 7.141 1.00 0.00 H new ATOM 990 N ALA A 73 -11.547 5.421 3.398 1.00 0.00 N ATOM 991 CA ALA A 73 -11.155 4.151 3.989 1.00 0.00 C ATOM 992 C ALA A 73 -9.785 3.805 3.442 1.00 0.00 C ATOM 993 O ALA A 73 -8.853 3.492 4.184 1.00 0.00 O ATOM 994 CB ALA A 73 -12.169 3.062 3.663 1.00 0.00 C ATOM 0 H ALA A 73 -12.392 5.379 2.828 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.121 4.229 5.076 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.853 2.123 4.116 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -13.145 3.344 4.057 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -12.236 2.939 2.582 1.00 0.00 H new ATOM 1000 N ILE A 74 -9.665 3.951 2.124 1.00 0.00 N ATOM 1001 CA ILE A 74 -8.399 3.745 1.444 1.00 0.00 C ATOM 1002 C ILE A 74 -7.436 4.813 1.947 1.00 0.00 C ATOM 1003 O ILE A 74 -6.249 4.562 2.179 1.00 0.00 O ATOM 1004 CB ILE A 74 -8.592 3.836 -0.089 1.00 0.00 C ATOM 1005 CG1 ILE A 74 -9.143 2.512 -0.611 1.00 0.00 C ATOM 1006 CG2 ILE A 74 -7.299 4.194 -0.810 1.00 0.00 C ATOM 1007 CD1 ILE A 74 -10.512 2.626 -1.234 1.00 0.00 C ATOM 0 H ILE A 74 -10.435 4.212 1.508 1.00 0.00 H new ATOM 0 HA ILE A 74 -7.998 2.754 1.655 1.00 0.00 H new ATOM 0 HB ILE A 74 -9.302 4.638 -0.292 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.451 2.107 -1.349 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.186 1.798 0.211 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.483 4.246 -1.883 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -6.940 5.160 -0.456 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.547 3.432 -0.608 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -10.837 1.645 -1.581 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -11.219 3.001 -0.494 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -10.471 3.315 -2.078 1.00 0.00 H new ATOM 1011 N ASN A 75 -8.005 5.995 2.170 1.00 0.00 N ATOM 1012 CA ASN A 75 -7.287 7.129 2.708 1.00 0.00 C ATOM 1013 C ASN A 75 -6.685 6.746 4.053 1.00 0.00 C ATOM 1014 O ASN A 75 -5.551 7.100 4.372 1.00 0.00 O ATOM 1015 CB ASN A 75 -8.275 8.289 2.850 1.00 0.00 C ATOM 1016 CG ASN A 75 -7.642 9.628 2.598 1.00 0.00 C ATOM 1017 OD1 ASN A 75 -6.934 10.173 3.444 1.00 0.00 O ATOM 1018 ND2 ASN A 75 -7.900 10.164 1.417 1.00 0.00 N ATOM 0 H ASN A 75 -8.988 6.186 1.978 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.473 7.432 2.049 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -9.100 8.145 2.152 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -8.701 8.277 3.853 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.505 11.072 1.172 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -8.494 9.670 0.751 1.00 0.00 H new ATOM 1023 N GLU A 76 -7.464 5.991 4.821 1.00 0.00 N ATOM 1024 CA GLU A 76 -7.036 5.509 6.127 1.00 0.00 C ATOM 1025 C GLU A 76 -5.976 4.418 5.967 1.00 0.00 C ATOM 1026 O GLU A 76 -4.879 4.515 6.524 1.00 0.00 O ATOM 1027 CB GLU A 76 -8.240 4.972 6.906 1.00 0.00 C ATOM 1028 CG GLU A 76 -8.456 5.660 8.244 1.00 0.00 C ATOM 1029 CD GLU A 76 -9.896 5.582 8.713 1.00 0.00 C ATOM 1030 OE1 GLU A 76 -10.280 4.537 9.279 1.00 0.00 O ATOM 1031 OE2 GLU A 76 -10.639 6.566 8.515 1.00 0.00 O ATOM 0 H GLU A 76 -8.405 5.698 4.556 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.598 6.338 6.684 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -9.137 5.089 6.298 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.106 3.903 7.074 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.809 5.203 8.992 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.160 6.706 8.163 1.00 0.00 H new ATOM 1038 N VAL A 77 -6.306 3.380 5.190 1.00 0.00 N ATOM 1039 CA VAL A 77 -5.377 2.281 4.946 1.00 0.00 C ATOM 1040 C VAL A 77 -4.010 2.810 4.568 1.00 0.00 C ATOM 1041 O VAL A 77 -3.001 2.440 5.167 1.00 0.00 O ATOM 1042 CB VAL A 77 -5.856 1.362 3.810 1.00 0.00 C ATOM 1043 CG1 VAL A 77 -5.015 0.096 3.758 1.00 0.00 C ATOM 1044 CG2 VAL A 77 -7.321 1.029 3.978 1.00 0.00 C ATOM 0 H VAL A 77 -7.207 3.282 4.723 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.326 1.711 5.874 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.735 1.890 2.864 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.368 -0.542 2.948 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.972 0.359 3.584 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.101 -0.437 4.705 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.642 0.378 3.165 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -7.472 0.521 4.931 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.907 1.948 3.960 1.00 0.00 H new ATOM 1048 N GLU A 78 -3.981 3.682 3.567 1.00 0.00 N ATOM 1049 CA GLU A 78 -2.727 4.256 3.115 1.00 0.00 C ATOM 1050 C GLU A 78 -1.970 4.859 4.291 1.00 0.00 C ATOM 1051 O GLU A 78 -0.743 4.782 4.361 1.00 0.00 O ATOM 1052 CB GLU A 78 -2.972 5.313 2.034 1.00 0.00 C ATOM 1053 CG GLU A 78 -1.704 6.008 1.561 1.00 0.00 C ATOM 1054 CD GLU A 78 -1.291 7.148 2.470 1.00 0.00 C ATOM 1055 OE1 GLU A 78 -2.151 7.996 2.787 1.00 0.00 O ATOM 1056 OE2 GLU A 78 -0.106 7.194 2.865 1.00 0.00 O ATOM 0 H GLU A 78 -4.805 4.003 3.059 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.121 3.461 2.680 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.457 4.841 1.180 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.664 6.062 2.420 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.894 5.280 1.506 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -1.858 6.390 0.552 1.00 0.00 H new ATOM 1063 N GLU A 79 -2.714 5.438 5.226 1.00 0.00 N ATOM 1064 CA GLU A 79 -2.114 6.030 6.409 1.00 0.00 C ATOM 1065 C GLU A 79 -1.557 4.935 7.303 1.00 0.00 C ATOM 1066 O GLU A 79 -0.426 5.028 7.781 1.00 0.00 O ATOM 1067 CB GLU A 79 -3.140 6.869 7.174 1.00 0.00 C ATOM 1068 CG GLU A 79 -2.577 8.173 7.716 1.00 0.00 C ATOM 1069 CD GLU A 79 -3.232 9.394 7.099 1.00 0.00 C ATOM 1070 OE1 GLU A 79 -4.313 9.794 7.582 1.00 0.00 O ATOM 1071 OE2 GLU A 79 -2.666 9.950 6.135 1.00 0.00 O ATOM 0 H GLU A 79 -3.731 5.509 5.186 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.302 6.687 6.099 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.979 7.091 6.515 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.533 6.280 8.003 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.712 8.201 8.797 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.504 8.207 7.528 1.00 0.00 H new ATOM 1078 N LYS A 80 -2.344 3.882 7.505 1.00 0.00 N ATOM 1079 CA LYS A 80 -1.900 2.761 8.320 1.00 0.00 C ATOM 1080 C LYS A 80 -0.699 2.098 7.656 1.00 0.00 C ATOM 1081 O LYS A 80 0.372 1.983 8.252 1.00 0.00 O ATOM 1082 CB LYS A 80 -3.032 1.747 8.510 1.00 0.00 C ATOM 1083 CG LYS A 80 -3.199 1.283 9.949 1.00 0.00 C ATOM 1084 CD LYS A 80 -4.350 0.301 10.087 1.00 0.00 C ATOM 1085 CE LYS A 80 -4.887 0.269 11.508 1.00 0.00 C ATOM 1086 NZ LYS A 80 -4.153 -0.710 12.358 1.00 0.00 N ATOM 0 H LYS A 80 -3.283 3.784 7.119 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.611 3.130 9.304 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.967 2.191 8.169 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.842 0.880 7.877 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -2.276 0.814 10.291 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.376 2.145 10.592 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.150 0.578 9.401 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -4.015 -0.696 9.801 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.808 1.263 11.948 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.946 0.012 11.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.550 -0.701 13.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.249 -1.663 11.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.147 -0.450 12.396 1.00 0.00 H new ATOM 1100 N LEU A 81 -0.885 1.686 6.403 1.00 0.00 N ATOM 1101 CA LEU A 81 0.179 1.052 5.632 1.00 0.00 C ATOM 1102 C LEU A 81 1.435 1.923 5.643 1.00 0.00 C ATOM 1103 O LEU A 81 2.542 1.430 5.878 1.00 0.00 O ATOM 1104 CB LEU A 81 -0.292 0.788 4.190 1.00 0.00 C ATOM 1105 CG LEU A 81 -0.287 -0.678 3.737 1.00 0.00 C ATOM 1106 CD1 LEU A 81 1.064 -1.045 3.148 1.00 0.00 C ATOM 1107 CD2 LEU A 81 -0.646 -1.617 4.882 1.00 0.00 C ATOM 0 H LEU A 81 -1.767 1.781 5.900 1.00 0.00 H new ATOM 0 HA LEU A 81 0.424 0.095 6.093 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.305 1.177 4.083 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.342 1.359 3.512 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.049 -0.792 2.966 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.052 -2.088 2.831 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.272 -0.407 2.289 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.840 -0.904 3.901 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.633 -2.647 4.526 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.079 -1.502 5.688 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.642 -1.374 5.253 1.00 0.00 H new ATOM 1113 N GLU A 82 1.262 3.228 5.417 1.00 0.00 N ATOM 1114 CA GLU A 82 2.392 4.145 5.435 1.00 0.00 C ATOM 1115 C GLU A 82 3.007 4.174 6.823 1.00 0.00 C ATOM 1116 O GLU A 82 4.215 3.999 6.989 1.00 0.00 O ATOM 1117 CB GLU A 82 1.946 5.546 5.033 1.00 0.00 C ATOM 1118 CG GLU A 82 3.099 6.497 4.769 1.00 0.00 C ATOM 1119 CD GLU A 82 3.377 7.416 5.943 1.00 0.00 C ATOM 1120 OE1 GLU A 82 3.678 6.903 7.041 1.00 0.00 O ATOM 1121 OE2 GLU A 82 3.293 8.649 5.764 1.00 0.00 O ATOM 0 H GLU A 82 0.361 3.664 5.222 1.00 0.00 H new ATOM 0 HA GLU A 82 3.137 3.799 4.719 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.329 5.479 4.137 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.318 5.959 5.823 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.996 5.921 4.543 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.875 7.097 3.887 1.00 0.00 H new ATOM 1128 N ARG A 83 2.157 4.378 7.824 1.00 0.00 N ATOM 1129 CA ARG A 83 2.602 4.410 9.213 1.00 0.00 C ATOM 1130 C ARG A 83 3.479 3.199 9.509 1.00 0.00 C ATOM 1131 O ARG A 83 4.598 3.331 10.018 1.00 0.00 O ATOM 1132 CB ARG A 83 1.401 4.432 10.161 1.00 0.00 C ATOM 1133 CG ARG A 83 1.728 4.970 11.545 1.00 0.00 C ATOM 1134 CD ARG A 83 0.471 5.373 12.301 1.00 0.00 C ATOM 1135 NE ARG A 83 0.554 6.739 12.812 1.00 0.00 N ATOM 1136 CZ ARG A 83 0.328 7.823 12.072 1.00 0.00 C ATOM 1137 NH1 ARG A 83 0.008 7.706 10.790 1.00 0.00 N ATOM 1138 NH2 ARG A 83 0.423 9.029 12.617 1.00 0.00 N ATOM 0 H ARG A 83 1.155 4.524 7.699 1.00 0.00 H new ATOM 0 HA ARG A 83 3.184 5.318 9.370 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.612 5.042 9.720 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.006 3.421 10.257 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.267 4.212 12.113 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.390 5.831 11.454 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.393 5.284 11.642 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.311 4.685 13.131 1.00 0.00 H new ATOM 0 HE ARG A 83 0.799 6.870 13.793 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.066 6.782 10.365 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.164 8.540 10.229 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.669 9.126 13.602 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.250 9.860 12.051 1.00 0.00 H new ATOM 1152 N GLN A 84 2.980 2.014 9.158 1.00 0.00 N ATOM 1153 CA GLN A 84 3.746 0.792 9.366 1.00 0.00 C ATOM 1154 C GLN A 84 5.047 0.887 8.583 1.00 0.00 C ATOM 1155 O GLN A 84 6.121 0.620 9.120 1.00 0.00 O ATOM 1156 CB GLN A 84 2.961 -0.458 8.944 1.00 0.00 C ATOM 1157 CG GLN A 84 1.451 -0.314 9.049 1.00 0.00 C ATOM 1158 CD GLN A 84 0.778 -1.548 9.614 1.00 0.00 C ATOM 1159 OE1 GLN A 84 1.417 -2.581 9.818 1.00 0.00 O ATOM 1160 NE2 GLN A 84 -0.522 -1.446 9.868 1.00 0.00 N ATOM 0 H GLN A 84 2.062 1.878 8.735 1.00 0.00 H new ATOM 0 HA GLN A 84 3.954 0.693 10.431 1.00 0.00 H new ATOM 0 HB2 GLN A 84 3.220 -0.705 7.914 1.00 0.00 H new ATOM 0 HB3 GLN A 84 3.278 -1.298 9.562 1.00 0.00 H new ATOM 0 HG2 GLN A 84 1.216 0.543 9.680 1.00 0.00 H new ATOM 0 HG3 GLN A 84 1.042 -0.104 8.061 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -1.011 -0.570 9.683 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -1.032 -2.244 10.248 1.00 0.00 H new ATOM 1167 N LEU A 85 4.948 1.315 7.319 1.00 0.00 N ATOM 1168 CA LEU A 85 6.133 1.493 6.480 1.00 0.00 C ATOM 1169 C LEU A 85 7.177 2.281 7.259 1.00 0.00 C ATOM 1170 O LEU A 85 8.341 1.883 7.360 1.00 0.00 O ATOM 1171 CB LEU A 85 5.775 2.246 5.192 1.00 0.00 C ATOM 1172 CG LEU A 85 5.793 1.413 3.908 1.00 0.00 C ATOM 1173 CD1 LEU A 85 4.677 1.863 2.975 1.00 0.00 C ATOM 1174 CD2 LEU A 85 7.150 1.515 3.215 1.00 0.00 C ATOM 0 H LEU A 85 4.066 1.542 6.860 1.00 0.00 H new ATOM 0 HA LEU A 85 6.528 0.514 6.209 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.781 2.677 5.310 1.00 0.00 H new ATOM 0 HB3 LEU A 85 6.470 3.077 5.074 1.00 0.00 H new ATOM 0 HG LEU A 85 5.627 0.368 4.170 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.700 1.263 2.065 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.715 1.735 3.470 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.817 2.914 2.721 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.140 0.915 2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.352 2.556 2.961 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.928 1.147 3.883 1.00 0.00 H new ATOM 1180 N ASN A 86 6.727 3.393 7.834 1.00 0.00 N ATOM 1181 CA ASN A 86 7.586 4.244 8.640 1.00 0.00 C ATOM 1182 C ASN A 86 8.154 3.439 9.798 1.00 0.00 C ATOM 1183 O ASN A 86 9.331 3.559 10.134 1.00 0.00 O ATOM 1184 CB ASN A 86 6.798 5.449 9.163 1.00 0.00 C ATOM 1185 CG ASN A 86 7.653 6.388 9.990 1.00 0.00 C ATOM 1186 OD1 ASN A 86 7.900 6.141 11.170 1.00 0.00 O ATOM 1187 ND2 ASN A 86 8.105 7.474 9.375 1.00 0.00 N ATOM 0 H ASN A 86 5.766 3.724 7.754 1.00 0.00 H new ATOM 0 HA ASN A 86 8.407 4.612 8.025 1.00 0.00 H new ATOM 0 HB2 ASN A 86 6.375 5.996 8.320 1.00 0.00 H new ATOM 0 HB3 ASN A 86 5.962 5.097 9.767 1.00 0.00 H new ATOM 0 HD21 ASN A 86 8.682 8.144 9.882 1.00 0.00 H new ATOM 0 HD22 ASN A 86 7.875 7.638 8.395 1.00 0.00 H new ATOM 1192 N LYS A 87 7.312 2.595 10.389 1.00 0.00 N ATOM 1193 CA LYS A 87 7.742 1.747 11.491 1.00 0.00 C ATOM 1194 C LYS A 87 8.808 0.773 11.015 1.00 0.00 C ATOM 1195 O LYS A 87 9.850 0.622 11.647 1.00 0.00 O ATOM 1196 CB LYS A 87 6.562 0.962 12.063 1.00 0.00 C ATOM 1197 CG LYS A 87 6.378 1.141 13.561 1.00 0.00 C ATOM 1198 CD LYS A 87 5.570 0.002 14.164 1.00 0.00 C ATOM 1199 CE LYS A 87 6.169 -0.475 15.477 1.00 0.00 C ATOM 1200 NZ LYS A 87 6.978 -1.714 15.301 1.00 0.00 N ATOM 0 H LYS A 87 6.334 2.482 10.123 1.00 0.00 H new ATOM 0 HA LYS A 87 8.153 2.388 12.271 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.649 1.273 11.554 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.703 -0.097 11.847 1.00 0.00 H new ATOM 0 HG2 LYS A 87 7.353 1.192 14.045 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.875 2.088 13.756 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.544 0.331 14.330 1.00 0.00 H new ATOM 0 HD3 LYS A 87 5.529 -0.828 13.459 1.00 0.00 H new ATOM 0 HE2 LYS A 87 6.796 0.311 15.897 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.370 -0.662 16.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 7.369 -2.007 16.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.374 -2.472 14.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 7.756 -1.529 14.637 1.00 0.00 H new ATOM 1214 N LEU A 88 8.544 0.113 9.891 1.00 0.00 N ATOM 1215 CA LEU A 88 9.493 -0.841 9.339 1.00 0.00 C ATOM 1216 C LEU A 88 10.828 -0.158 9.088 1.00 0.00 C ATOM 1217 O LEU A 88 11.866 -0.583 9.594 1.00 0.00 O ATOM 1218 CB LEU A 88 8.975 -1.442 8.028 1.00 0.00 C ATOM 1219 CG LEU A 88 7.520 -1.916 8.043 1.00 0.00 C ATOM 1220 CD1 LEU A 88 7.192 -2.663 6.760 1.00 0.00 C ATOM 1221 CD2 LEU A 88 7.261 -2.795 9.253 1.00 0.00 C ATOM 0 H LEU A 88 7.686 0.222 9.350 1.00 0.00 H new ATOM 0 HA LEU A 88 9.620 -1.646 10.063 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.087 -0.698 7.240 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.610 -2.287 7.761 1.00 0.00 H new ATOM 0 HG LEU A 88 6.872 -1.042 8.108 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.154 -2.993 6.787 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.341 -2.002 5.906 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.846 -3.530 6.666 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.222 -3.123 9.248 1.00 0.00 H new ATOM 0 HD22 LEU A 88 7.917 -3.665 9.218 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.458 -2.229 10.163 1.00 0.00 H new ATOM 1227 N GLN A 89 10.783 0.909 8.303 1.00 0.00 N ATOM 1228 CA GLN A 89 11.982 1.671 7.976 1.00 0.00 C ATOM 1229 C GLN A 89 12.614 2.253 9.239 1.00 0.00 C ATOM 1230 O GLN A 89 13.828 2.456 9.301 1.00 0.00 O ATOM 1231 CB GLN A 89 11.651 2.792 6.989 1.00 0.00 C ATOM 1232 CG GLN A 89 11.027 2.301 5.694 1.00 0.00 C ATOM 1233 CD GLN A 89 11.163 3.299 4.571 1.00 0.00 C ATOM 1234 OE1 GLN A 89 11.628 4.420 4.772 1.00 0.00 O ATOM 1235 NE2 GLN A 89 10.756 2.893 3.378 1.00 0.00 N ATOM 0 H GLN A 89 9.927 1.268 7.879 1.00 0.00 H new ATOM 0 HA GLN A 89 12.698 0.994 7.511 1.00 0.00 H new ATOM 0 HB2 GLN A 89 10.969 3.495 7.467 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.564 3.341 6.757 1.00 0.00 H new ATOM 0 HG2 GLN A 89 11.498 1.363 5.401 1.00 0.00 H new ATOM 0 HG3 GLN A 89 9.971 2.089 5.861 1.00 0.00 H new ATOM 0 HE21 GLN A 89 10.377 1.953 3.261 1.00 0.00 H new ATOM 0 HE22 GLN A 89 10.821 3.520 2.576 1.00 0.00 H new ATOM 1242 N HIS A 90 11.783 2.516 10.244 1.00 0.00 N ATOM 1243 CA HIS A 90 12.255 3.072 11.508 1.00 0.00 C ATOM 1244 C HIS A 90 12.847 1.990 12.396 1.00 0.00 C ATOM 1245 O HIS A 90 14.039 2.001 12.706 1.00 0.00 O ATOM 1246 CB HIS A 90 11.105 3.744 12.254 1.00 0.00 C ATOM 1247 CG HIS A 90 10.825 5.142 11.797 1.00 0.00 C ATOM 1248 ND1 HIS A 90 10.395 6.140 12.647 1.00 0.00 N ATOM 1249 CD2 HIS A 90 10.927 5.714 10.573 1.00 0.00 C ATOM 1250 CE1 HIS A 90 10.246 7.262 11.967 1.00 0.00 C ATOM 1251 NE2 HIS A 90 10.564 7.031 10.707 1.00 0.00 N ATOM 0 H HIS A 90 10.777 2.352 10.207 1.00 0.00 H new ATOM 0 HA HIS A 90 13.027 3.805 11.276 1.00 0.00 H new ATOM 0 HB2 HIS A 90 10.204 3.144 12.130 1.00 0.00 H new ATOM 0 HB3 HIS A 90 11.334 3.759 13.319 1.00 0.00 H new ATOM 0 HD1 HIS A 90 10.219 6.028 13.646 1.00 0.00 H new ATOM 0 HD2 HIS A 90 11.236 5.225 9.661 1.00 0.00 H new ATOM 0 HE1 HIS A 90 9.919 8.208 12.373 1.00 0.00 H new