USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 824 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 81 THR OG1 : rot -98:sc= 0.699 USER MOD Set 1.2: A 101 THR OG1 : rot 180:sc= 0.626 USER MOD Set 2.1: A 94 ASN : amide:sc= 0.801 K(o=-1.6,f=-3.1) USER MOD Set 2.2: A 97 ASN : amide:sc= -2.42! C(o=-1.6!,f=-3.1!) USER MOD Set 3.1: A 76 ASN : amide:sc= 0 X(o=0,f=0.033) USER MOD Set 3.2: A 106 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 74 THR OG1 : rot 180:sc= 0.426 USER MOD Set 4.2: A 78 TYR OH : rot -153:sc= 0.895 USER MOD Set 5.1: A 41 SER OG : rot 180:sc= -0.169 USER MOD Set 5.2: A 51 THR OG1 : rot -101:sc= 0.099 USER MOD Set 6.1: A 39 ASN : amide:sc= 2.01 K(o=3.1,f=-1.8) USER MOD Set 6.2: A 53 THR OG1 : rot -29:sc= 1.08 USER MOD Set 7.1: A 29 ASN : amide:sc= -0.138 K(o=-2.4,f=-6.5!) USER MOD Set 7.2: A 35 SER OG : rot -5:sc= -2.25! USER MOD Set 8.1: A 26 THR OG1 : rot -52:sc= 1.21 USER MOD Set 8.2: A 64 ASN : amide:sc= 0.926 K(o=2.1,f=-4.3!) USER MOD Single : A 1 MET CE :methyl -162:sc= -0.104 (180deg=-0.568) USER MOD Single : A 1 MET N :NH3+ 139:sc= -0.0932 (180deg=-0.626) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc=-0.00189 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.455 X(o=-0.45,f=-0.048) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.0655 USER MOD Single : A 21 ASN : amide:sc= -0.856 K(o=-0.86,f=-5.7!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -138:sc= -0.0711 (180deg=-2.14) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 1.15 K(o=1.1,f=-0.61) USER MOD Single : A 32 ASN : amide:sc= -0.266 X(o=-0.27,f=-0.043) USER MOD Single : A 33 LYS NZ :NH3+ -166:sc= 1.21 (180deg=0.997) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.00969 USER MOD Single : A 37 SER OG : rot 31:sc= 0.529 USER MOD Single : A 52 GLN : amide:sc= 0.518 K(o=0.52,f=-4!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.053 USER MOD Single : A 56 SER OG : rot 38:sc= 1.3 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0.756 K(o=0.76,f=-7.8!) USER MOD Single : A 62 SER OG : rot -98:sc= 1.26 USER MOD Single : A 63 THR OG1 : rot 171:sc= -0.784 USER MOD Single : A 68 HIS : no HD1:sc= 0.335 K(o=0.33,f=-3.6!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 93:sc= 1.27 USER MOD Single : A 83 ASN : amide:sc= -0.202 K(o=-0.2,f=-1.9!) USER MOD Single : A 88 ASN : amide:sc= -1.5! K(o=-1.5!,f=-0.14) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= 0.658 K(o=0.66,f=-2.1) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 HIS : no HE2:sc= 0.0177! C(o=0.018!,f=-5.4!) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=-0.00073) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 112 HIS : no HD1:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.996 15.170 -8.722 1.00 0.00 N ATOM 2 CA MET A 1 -14.084 15.049 -7.724 1.00 0.00 C ATOM 3 C MET A 1 -13.724 14.041 -6.650 1.00 0.00 C ATOM 4 O MET A 1 -13.579 14.390 -5.480 1.00 0.00 O ATOM 5 CB MET A 1 -15.399 14.652 -8.396 1.00 0.00 C ATOM 6 CG MET A 1 -15.989 15.750 -9.261 1.00 0.00 C ATOM 7 SD MET A 1 -17.578 15.294 -9.983 1.00 0.00 S ATOM 8 CE MET A 1 -17.113 13.872 -10.968 1.00 0.00 C ATOM 0 H1 MET A 1 -13.405 15.233 -9.676 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.439 16.026 -8.526 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.378 14.335 -8.665 1.00 0.00 H new ATOM 0 HA MET A 1 -14.214 16.025 -7.255 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.232 13.767 -9.009 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.122 14.376 -7.628 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.113 16.652 -8.661 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.288 15.993 -10.060 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.887 13.674 -11.709 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.169 14.073 -11.475 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.999 13.002 -10.321 1.00 0.00 H new ATOM 20 N ILE A 2 -13.586 12.788 -7.039 1.00 0.00 N ATOM 21 CA ILE A 2 -13.234 11.752 -6.084 1.00 0.00 C ATOM 22 C ILE A 2 -11.851 11.188 -6.405 1.00 0.00 C ATOM 23 O ILE A 2 -11.471 11.088 -7.576 1.00 0.00 O ATOM 24 CB ILE A 2 -14.302 10.623 -6.061 1.00 0.00 C ATOM 25 CG1 ILE A 2 -14.369 9.980 -4.675 1.00 0.00 C ATOM 26 CG2 ILE A 2 -14.016 9.559 -7.117 1.00 0.00 C ATOM 27 CD1 ILE A 2 -15.497 8.985 -4.522 1.00 0.00 C ATOM 0 H ILE A 2 -13.710 12.464 -7.998 1.00 0.00 H new ATOM 0 HA ILE A 2 -13.206 12.198 -5.090 1.00 0.00 H new ATOM 0 HB ILE A 2 -15.266 11.077 -6.292 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -13.423 9.478 -4.471 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -14.483 10.763 -3.926 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -14.783 8.786 -7.072 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -14.021 10.017 -8.106 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -13.039 9.113 -6.929 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -15.482 8.570 -3.514 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -16.450 9.486 -4.694 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -15.374 8.181 -5.247 1.00 0.00 H new ATOM 39 N PRO A 3 -11.058 10.868 -5.377 1.00 0.00 N ATOM 40 CA PRO A 3 -9.798 10.158 -5.544 1.00 0.00 C ATOM 41 C PRO A 3 -10.015 8.652 -5.610 1.00 0.00 C ATOM 42 O PRO A 3 -11.022 8.140 -5.121 1.00 0.00 O ATOM 43 CB PRO A 3 -9.003 10.515 -4.277 1.00 0.00 C ATOM 44 CG PRO A 3 -9.883 11.424 -3.474 1.00 0.00 C ATOM 45 CD PRO A 3 -11.283 11.213 -3.973 1.00 0.00 C ATOM 0 HA PRO A 3 -9.291 10.436 -6.468 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.749 9.619 -3.711 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.064 11.007 -4.532 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.811 11.194 -2.411 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.580 12.464 -3.596 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.792 10.414 -3.433 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.894 12.110 -3.866 1.00 0.00 H new ATOM 53 N ASP A 4 -9.078 7.945 -6.209 1.00 0.00 N ATOM 54 CA ASP A 4 -9.118 6.499 -6.224 1.00 0.00 C ATOM 55 C ASP A 4 -7.714 5.988 -5.992 1.00 0.00 C ATOM 56 O ASP A 4 -6.843 6.133 -6.847 1.00 0.00 O ATOM 57 CB ASP A 4 -9.670 5.973 -7.550 1.00 0.00 C ATOM 58 CG ASP A 4 -9.997 4.492 -7.497 1.00 0.00 C ATOM 59 OD1 ASP A 4 -9.104 3.669 -7.775 1.00 0.00 O ATOM 60 OD2 ASP A 4 -11.155 4.148 -7.181 1.00 0.00 O ATOM 0 H ASP A 4 -8.277 8.351 -6.693 1.00 0.00 H new ATOM 0 HA ASP A 4 -9.784 6.144 -5.438 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -10.569 6.531 -7.813 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.941 6.153 -8.340 1.00 0.00 H new ATOM 65 N LEU A 5 -7.479 5.428 -4.823 1.00 0.00 N ATOM 66 CA LEU A 5 -6.138 5.037 -4.451 1.00 0.00 C ATOM 67 C LEU A 5 -5.962 3.552 -4.671 1.00 0.00 C ATOM 68 O LEU A 5 -6.750 2.742 -4.181 1.00 0.00 O ATOM 69 CB LEU A 5 -5.879 5.392 -2.987 1.00 0.00 C ATOM 70 CG LEU A 5 -6.111 6.862 -2.629 1.00 0.00 C ATOM 71 CD1 LEU A 5 -5.926 7.087 -1.137 1.00 0.00 C ATOM 72 CD2 LEU A 5 -5.169 7.750 -3.421 1.00 0.00 C ATOM 0 H LEU A 5 -8.193 5.235 -4.121 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.420 5.574 -5.072 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -6.522 4.775 -2.360 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.849 5.132 -2.742 1.00 0.00 H new ATOM 0 HG LEU A 5 -7.137 7.123 -2.888 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.095 8.138 -0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.638 6.474 -0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -4.911 6.811 -0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.344 8.793 -3.157 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.138 7.485 -3.188 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -5.348 7.611 -4.487 1.00 0.00 H new ATOM 84 N VAL A 6 -4.928 3.204 -5.408 1.00 0.00 N ATOM 85 CA VAL A 6 -4.691 1.823 -5.762 1.00 0.00 C ATOM 86 C VAL A 6 -3.288 1.404 -5.347 1.00 0.00 C ATOM 87 O VAL A 6 -2.341 2.174 -5.489 1.00 0.00 O ATOM 88 CB VAL A 6 -4.832 1.633 -7.291 1.00 0.00 C ATOM 89 CG1 VAL A 6 -5.100 0.177 -7.641 1.00 0.00 C ATOM 90 CG2 VAL A 6 -5.916 2.546 -7.862 1.00 0.00 C ATOM 0 H VAL A 6 -4.238 3.861 -5.773 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.426 1.208 -5.243 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.884 1.915 -7.750 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.194 0.074 -8.722 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -4.273 -0.440 -7.289 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.024 -0.148 -7.163 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -5.993 2.391 -8.938 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.872 2.313 -7.393 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -5.658 3.586 -7.663 1.00 0.00 H new ATOM 100 N PRO A 7 -3.131 0.181 -4.836 1.00 0.00 N ATOM 101 CA PRO A 7 -1.837 -0.437 -4.660 1.00 0.00 C ATOM 102 C PRO A 7 -1.496 -1.274 -5.884 1.00 0.00 C ATOM 103 O PRO A 7 -1.890 -2.431 -5.994 1.00 0.00 O ATOM 104 CB PRO A 7 -2.029 -1.312 -3.416 1.00 0.00 C ATOM 105 CG PRO A 7 -3.512 -1.359 -3.160 1.00 0.00 C ATOM 106 CD PRO A 7 -4.187 -0.685 -4.326 1.00 0.00 C ATOM 0 HA PRO A 7 -1.019 0.274 -4.542 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.630 -2.313 -3.579 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.499 -0.893 -2.560 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -3.853 -2.390 -3.061 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.758 -0.851 -2.227 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -4.521 -1.404 -5.074 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -5.064 -0.118 -4.016 1.00 0.00 H new ATOM 114 N VAL A 8 -0.789 -0.666 -6.819 1.00 0.00 N ATOM 115 CA VAL A 8 -0.591 -1.264 -8.131 1.00 0.00 C ATOM 116 C VAL A 8 0.564 -2.255 -8.146 1.00 0.00 C ATOM 117 O VAL A 8 0.715 -3.026 -9.095 1.00 0.00 O ATOM 118 CB VAL A 8 -0.354 -0.189 -9.213 1.00 0.00 C ATOM 119 CG1 VAL A 8 -1.589 0.681 -9.385 1.00 0.00 C ATOM 120 CG2 VAL A 8 0.858 0.666 -8.868 1.00 0.00 C ATOM 0 H VAL A 8 -0.341 0.242 -6.696 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.510 -1.804 -8.357 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.157 -0.696 -10.158 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.401 1.432 -10.152 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.433 0.060 -9.685 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.820 1.176 -8.442 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.006 1.417 -9.644 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.694 1.161 -7.911 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.743 0.033 -8.802 1.00 0.00 H new ATOM 130 N SER A 9 1.377 -2.251 -7.100 1.00 0.00 N ATOM 131 CA SER A 9 2.544 -3.110 -7.072 1.00 0.00 C ATOM 132 C SER A 9 3.101 -3.258 -5.663 1.00 0.00 C ATOM 133 O SER A 9 3.076 -2.318 -4.866 1.00 0.00 O ATOM 134 CB SER A 9 3.614 -2.547 -8.008 1.00 0.00 C ATOM 135 OG SER A 9 4.735 -3.407 -8.097 1.00 0.00 O ATOM 0 H SER A 9 1.250 -1.670 -6.271 1.00 0.00 H new ATOM 0 HA SER A 9 2.245 -4.102 -7.410 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.188 -2.399 -9.001 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.933 -1.568 -7.649 1.00 0.00 H new ATOM 0 HG SER A 9 5.398 -3.018 -8.704 1.00 0.00 H new ATOM 141 N LEU A 10 3.581 -4.457 -5.369 1.00 0.00 N ATOM 142 CA LEU A 10 4.244 -4.749 -4.111 1.00 0.00 C ATOM 143 C LEU A 10 5.593 -5.397 -4.398 1.00 0.00 C ATOM 144 O LEU A 10 5.670 -6.379 -5.136 1.00 0.00 O ATOM 145 CB LEU A 10 3.375 -5.677 -3.258 1.00 0.00 C ATOM 146 CG LEU A 10 4.003 -6.152 -1.943 1.00 0.00 C ATOM 147 CD1 LEU A 10 4.307 -4.979 -1.023 1.00 0.00 C ATOM 148 CD2 LEU A 10 3.082 -7.143 -1.253 1.00 0.00 C ATOM 0 H LEU A 10 3.520 -5.256 -6.000 1.00 0.00 H new ATOM 0 HA LEU A 10 4.399 -3.824 -3.556 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.442 -5.162 -3.029 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.118 -6.553 -3.854 1.00 0.00 H new ATOM 0 HG LEU A 10 4.946 -6.647 -2.175 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.752 -5.347 -0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.004 -4.301 -1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.384 -4.447 -0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.538 -7.474 -0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.126 -6.664 -1.040 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.920 -8.003 -1.903 1.00 0.00 H new ATOM 160 N THR A 11 6.647 -4.843 -3.829 1.00 0.00 N ATOM 161 CA THR A 11 7.992 -5.340 -4.071 1.00 0.00 C ATOM 162 C THR A 11 8.794 -5.383 -2.777 1.00 0.00 C ATOM 163 O THR A 11 8.613 -4.533 -1.911 1.00 0.00 O ATOM 164 CB THR A 11 8.724 -4.460 -5.106 1.00 0.00 C ATOM 165 OG1 THR A 11 8.416 -3.077 -4.876 1.00 0.00 O ATOM 166 CG2 THR A 11 8.336 -4.844 -6.527 1.00 0.00 C ATOM 0 H THR A 11 6.599 -4.046 -3.194 1.00 0.00 H new ATOM 0 HA THR A 11 7.905 -6.352 -4.466 1.00 0.00 H new ATOM 0 HB THR A 11 9.796 -4.620 -4.990 1.00 0.00 H new ATOM 0 HG1 THR A 11 8.885 -2.523 -5.535 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.867 -4.207 -7.234 1.00 0.00 H new ATOM 0 HG22 THR A 11 8.601 -5.886 -6.707 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.262 -4.714 -6.658 1.00 0.00 H new ATOM 174 N PRO A 12 9.681 -6.374 -2.615 1.00 0.00 N ATOM 175 CA PRO A 12 9.894 -7.434 -3.603 1.00 0.00 C ATOM 176 C PRO A 12 8.838 -8.535 -3.524 1.00 0.00 C ATOM 177 O PRO A 12 8.122 -8.653 -2.530 1.00 0.00 O ATOM 178 CB PRO A 12 11.266 -7.983 -3.217 1.00 0.00 C ATOM 179 CG PRO A 12 11.348 -7.779 -1.742 1.00 0.00 C ATOM 180 CD PRO A 12 10.564 -6.529 -1.443 1.00 0.00 C ATOM 0 HA PRO A 12 9.830 -7.062 -4.625 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.359 -9.037 -3.478 1.00 0.00 H new ATOM 0 HB3 PRO A 12 12.066 -7.454 -3.736 1.00 0.00 H new ATOM 0 HG2 PRO A 12 10.934 -8.634 -1.208 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.384 -7.674 -1.421 1.00 0.00 H new ATOM 0 HD2 PRO A 12 9.991 -6.628 -0.521 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.219 -5.667 -1.320 1.00 0.00 H new ATOM 188 N VAL A 13 8.743 -9.336 -4.579 1.00 0.00 N ATOM 189 CA VAL A 13 7.807 -10.453 -4.607 1.00 0.00 C ATOM 190 C VAL A 13 8.426 -11.687 -3.959 1.00 0.00 C ATOM 191 O VAL A 13 7.733 -12.653 -3.637 1.00 0.00 O ATOM 192 CB VAL A 13 7.361 -10.790 -6.047 1.00 0.00 C ATOM 193 CG1 VAL A 13 6.535 -9.653 -6.630 1.00 0.00 C ATOM 194 CG2 VAL A 13 8.562 -11.085 -6.933 1.00 0.00 C ATOM 0 H VAL A 13 9.302 -9.233 -5.426 1.00 0.00 H new ATOM 0 HA VAL A 13 6.926 -10.150 -4.041 1.00 0.00 H new ATOM 0 HB VAL A 13 6.740 -11.685 -6.008 1.00 0.00 H new ATOM 0 HG11 VAL A 13 6.230 -9.908 -7.645 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.650 -9.493 -6.014 1.00 0.00 H new ATOM 0 HG13 VAL A 13 7.133 -8.742 -6.649 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.221 -11.319 -7.942 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.214 -10.212 -6.964 1.00 0.00 H new ATOM 0 HG23 VAL A 13 9.112 -11.935 -6.529 1.00 0.00 H new ATOM 204 N THR A 14 9.735 -11.648 -3.787 1.00 0.00 N ATOM 205 CA THR A 14 10.459 -12.690 -3.086 1.00 0.00 C ATOM 206 C THR A 14 11.395 -12.062 -2.059 1.00 0.00 C ATOM 207 O THR A 14 12.214 -11.204 -2.397 1.00 0.00 O ATOM 208 CB THR A 14 11.267 -13.560 -4.062 1.00 0.00 C ATOM 209 OG1 THR A 14 11.437 -12.863 -5.305 1.00 0.00 O ATOM 210 CG2 THR A 14 10.596 -14.907 -4.304 1.00 0.00 C ATOM 0 H THR A 14 10.326 -10.891 -4.131 1.00 0.00 H new ATOM 0 HA THR A 14 9.734 -13.329 -2.582 1.00 0.00 H new ATOM 0 HB THR A 14 12.242 -13.753 -3.614 1.00 0.00 H new ATOM 0 HG1 THR A 14 11.954 -13.420 -5.924 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.197 -15.493 -4.999 1.00 0.00 H new ATOM 0 HG22 THR A 14 10.507 -15.444 -3.360 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.604 -14.749 -4.727 1.00 0.00 H new ATOM 218 N VAL A 15 11.266 -12.476 -0.806 1.00 0.00 N ATOM 219 CA VAL A 15 12.013 -11.860 0.281 1.00 0.00 C ATOM 220 C VAL A 15 13.000 -12.842 0.894 1.00 0.00 C ATOM 221 O VAL A 15 12.770 -14.052 0.881 1.00 0.00 O ATOM 222 CB VAL A 15 11.061 -11.344 1.380 1.00 0.00 C ATOM 223 CG1 VAL A 15 10.228 -10.182 0.864 1.00 0.00 C ATOM 224 CG2 VAL A 15 10.158 -12.464 1.875 1.00 0.00 C ATOM 0 H VAL A 15 10.651 -13.236 -0.517 1.00 0.00 H new ATOM 0 HA VAL A 15 12.564 -11.020 -0.141 1.00 0.00 H new ATOM 0 HB VAL A 15 11.665 -10.992 2.216 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.563 -9.832 1.654 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.887 -9.369 0.558 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.636 -10.510 0.010 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.494 -12.081 2.650 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.564 -12.846 1.045 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.768 -13.269 2.286 1.00 0.00 H new ATOM 234 N VAL A 16 14.103 -12.326 1.419 1.00 0.00 N ATOM 235 CA VAL A 16 15.072 -13.156 2.098 1.00 0.00 C ATOM 236 C VAL A 16 14.717 -13.278 3.576 1.00 0.00 C ATOM 237 O VAL A 16 14.584 -12.277 4.280 1.00 0.00 O ATOM 238 CB VAL A 16 16.505 -12.609 1.941 1.00 0.00 C ATOM 239 CG1 VAL A 16 17.026 -12.868 0.535 1.00 0.00 C ATOM 240 CG2 VAL A 16 16.571 -11.121 2.263 1.00 0.00 C ATOM 0 H VAL A 16 14.344 -11.335 1.384 1.00 0.00 H new ATOM 0 HA VAL A 16 15.042 -14.143 1.636 1.00 0.00 H new ATOM 0 HB VAL A 16 17.139 -13.136 2.654 1.00 0.00 H new ATOM 0 HG11 VAL A 16 18.038 -12.475 0.444 1.00 0.00 H new ATOM 0 HG12 VAL A 16 17.035 -13.941 0.342 1.00 0.00 H new ATOM 0 HG13 VAL A 16 16.379 -12.374 -0.190 1.00 0.00 H new ATOM 0 HG21 VAL A 16 17.595 -10.768 2.142 1.00 0.00 H new ATOM 0 HG22 VAL A 16 15.916 -10.573 1.586 1.00 0.00 H new ATOM 0 HG23 VAL A 16 16.249 -10.957 3.291 1.00 0.00 H new ATOM 250 N PRO A 17 14.512 -14.510 4.056 1.00 0.00 N ATOM 251 CA PRO A 17 14.169 -14.761 5.455 1.00 0.00 C ATOM 252 C PRO A 17 15.317 -14.441 6.406 1.00 0.00 C ATOM 253 O PRO A 17 16.432 -14.143 5.972 1.00 0.00 O ATOM 254 CB PRO A 17 13.845 -16.262 5.492 1.00 0.00 C ATOM 255 CG PRO A 17 13.679 -16.665 4.066 1.00 0.00 C ATOM 256 CD PRO A 17 14.574 -15.755 3.282 1.00 0.00 C ATOM 0 HA PRO A 17 13.344 -14.128 5.783 1.00 0.00 H new ATOM 0 HB2 PRO A 17 14.647 -16.826 5.969 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.937 -16.454 6.063 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.956 -17.709 3.919 1.00 0.00 H new ATOM 0 HG3 PRO A 17 12.641 -16.563 3.748 1.00 0.00 H new ATOM 0 HD2 PRO A 17 15.591 -16.143 3.216 1.00 0.00 H new ATOM 0 HD3 PRO A 17 14.219 -15.617 2.261 1.00 0.00 H new ATOM 264 N ASN A 18 15.021 -14.499 7.704 1.00 0.00 N ATOM 265 CA ASN A 18 16.021 -14.317 8.762 1.00 0.00 C ATOM 266 C ASN A 18 16.465 -12.862 8.859 1.00 0.00 C ATOM 267 O ASN A 18 17.563 -12.571 9.335 1.00 0.00 O ATOM 268 CB ASN A 18 17.244 -15.226 8.545 1.00 0.00 C ATOM 269 CG ASN A 18 16.880 -16.695 8.455 1.00 0.00 C ATOM 270 OD1 ASN A 18 16.719 -17.373 9.470 1.00 0.00 O ATOM 271 ND2 ASN A 18 16.768 -17.206 7.236 1.00 0.00 N ATOM 0 H ASN A 18 14.079 -14.674 8.055 1.00 0.00 H new ATOM 0 HA ASN A 18 15.545 -14.599 9.701 1.00 0.00 H new ATOM 0 HB2 ASN A 18 17.755 -14.927 7.630 1.00 0.00 H new ATOM 0 HB3 ASN A 18 17.948 -15.081 9.365 1.00 0.00 H new ATOM 0 HD21 ASN A 18 16.541 -18.193 7.116 1.00 0.00 H new ATOM 0 HD22 ASN A 18 16.909 -16.612 6.419 1.00 0.00 H new ATOM 278 N THR A 19 15.607 -11.947 8.423 1.00 0.00 N ATOM 279 CA THR A 19 15.894 -10.525 8.519 1.00 0.00 C ATOM 280 C THR A 19 14.694 -9.706 8.042 1.00 0.00 C ATOM 281 O THR A 19 13.695 -10.269 7.586 1.00 0.00 O ATOM 282 CB THR A 19 17.153 -10.145 7.704 1.00 0.00 C ATOM 283 OG1 THR A 19 17.557 -8.805 8.015 1.00 0.00 O ATOM 284 CG2 THR A 19 16.902 -10.274 6.207 1.00 0.00 C ATOM 0 H THR A 19 14.706 -12.167 7.999 1.00 0.00 H new ATOM 0 HA THR A 19 16.089 -10.297 9.567 1.00 0.00 H new ATOM 0 HB THR A 19 17.950 -10.836 7.977 1.00 0.00 H new ATOM 0 HG1 THR A 19 18.355 -8.575 7.495 1.00 0.00 H new ATOM 0 HG21 THR A 19 17.805 -10.000 5.662 1.00 0.00 H new ATOM 0 HG22 THR A 19 16.633 -11.304 5.970 1.00 0.00 H new ATOM 0 HG23 THR A 19 16.087 -9.611 5.916 1.00 0.00 H new ATOM 292 N VAL A 20 14.792 -8.387 8.163 1.00 0.00 N ATOM 293 CA VAL A 20 13.731 -7.495 7.716 1.00 0.00 C ATOM 294 C VAL A 20 13.968 -7.072 6.269 1.00 0.00 C ATOM 295 O VAL A 20 15.089 -6.735 5.888 1.00 0.00 O ATOM 296 CB VAL A 20 13.632 -6.233 8.606 1.00 0.00 C ATOM 297 CG1 VAL A 20 12.459 -5.361 8.182 1.00 0.00 C ATOM 298 CG2 VAL A 20 13.502 -6.613 10.070 1.00 0.00 C ATOM 0 H VAL A 20 15.598 -7.912 8.568 1.00 0.00 H new ATOM 0 HA VAL A 20 12.793 -8.045 7.792 1.00 0.00 H new ATOM 0 HB VAL A 20 14.551 -5.661 8.478 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.410 -4.480 8.822 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.593 -5.050 7.146 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.532 -5.928 8.274 1.00 0.00 H new ATOM 0 HG21 VAL A 20 13.434 -5.709 10.676 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.603 -7.213 10.212 1.00 0.00 H new ATOM 0 HG23 VAL A 20 14.375 -7.190 10.375 1.00 0.00 H new ATOM 308 N ASN A 21 12.912 -7.102 5.471 1.00 0.00 N ATOM 309 CA ASN A 21 12.995 -6.724 4.066 1.00 0.00 C ATOM 310 C ASN A 21 12.296 -5.395 3.831 1.00 0.00 C ATOM 311 O ASN A 21 11.341 -5.051 4.535 1.00 0.00 O ATOM 312 CB ASN A 21 12.369 -7.808 3.186 1.00 0.00 C ATOM 313 CG ASN A 21 13.250 -9.036 3.055 1.00 0.00 C ATOM 314 OD1 ASN A 21 14.003 -9.174 2.089 1.00 0.00 O ATOM 315 ND2 ASN A 21 13.174 -9.926 4.032 1.00 0.00 N ATOM 0 H ASN A 21 11.980 -7.386 5.774 1.00 0.00 H new ATOM 0 HA ASN A 21 14.047 -6.618 3.800 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.406 -8.100 3.605 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.174 -7.398 2.195 1.00 0.00 H new ATOM 0 HD21 ASN A 21 13.753 -10.765 4.003 1.00 0.00 H new ATOM 0 HD22 ASN A 21 12.537 -9.772 4.814 1.00 0.00 H new ATOM 322 N THR A 22 12.778 -4.647 2.849 1.00 0.00 N ATOM 323 CA THR A 22 12.194 -3.362 2.514 1.00 0.00 C ATOM 324 C THR A 22 10.989 -3.552 1.603 1.00 0.00 C ATOM 325 O THR A 22 11.126 -3.613 0.377 1.00 0.00 O ATOM 326 CB THR A 22 13.222 -2.456 1.812 1.00 0.00 C ATOM 327 OG1 THR A 22 14.478 -2.517 2.505 1.00 0.00 O ATOM 328 CG2 THR A 22 12.735 -1.013 1.763 1.00 0.00 C ATOM 0 H THR A 22 13.575 -4.912 2.270 1.00 0.00 H new ATOM 0 HA THR A 22 11.880 -2.886 3.443 1.00 0.00 H new ATOM 0 HB THR A 22 13.349 -2.812 0.790 1.00 0.00 H new ATOM 0 HG1 THR A 22 15.129 -1.940 2.053 1.00 0.00 H new ATOM 0 HG21 THR A 22 13.480 -0.394 1.262 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.795 -0.965 1.214 1.00 0.00 H new ATOM 0 HG23 THR A 22 12.582 -0.646 2.778 1.00 0.00 H new ATOM 336 N MET A 23 9.815 -3.678 2.198 1.00 0.00 N ATOM 337 CA MET A 23 8.604 -3.891 1.428 1.00 0.00 C ATOM 338 C MET A 23 8.085 -2.571 0.890 1.00 0.00 C ATOM 339 O MET A 23 7.615 -1.715 1.638 1.00 0.00 O ATOM 340 CB MET A 23 7.537 -4.594 2.266 1.00 0.00 C ATOM 341 CG MET A 23 7.977 -5.955 2.781 1.00 0.00 C ATOM 342 SD MET A 23 8.598 -7.034 1.475 1.00 0.00 S ATOM 343 CE MET A 23 7.171 -7.149 0.397 1.00 0.00 C ATOM 0 H MET A 23 9.676 -3.637 3.208 1.00 0.00 H new ATOM 0 HA MET A 23 8.843 -4.539 0.585 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.274 -3.960 3.113 1.00 0.00 H new ATOM 0 HB3 MET A 23 6.635 -4.714 1.666 1.00 0.00 H new ATOM 0 HG2 MET A 23 8.754 -5.819 3.533 1.00 0.00 H new ATOM 0 HG3 MET A 23 7.136 -6.440 3.276 1.00 0.00 H new ATOM 0 HE1 MET A 23 7.054 -8.178 0.057 1.00 0.00 H new ATOM 0 HE2 MET A 23 6.278 -6.842 0.942 1.00 0.00 H new ATOM 0 HE3 MET A 23 7.312 -6.497 -0.465 1.00 0.00 H new ATOM 353 N THR A 24 8.200 -2.412 -0.413 1.00 0.00 N ATOM 354 CA THR A 24 7.806 -1.196 -1.084 1.00 0.00 C ATOM 355 C THR A 24 6.468 -1.388 -1.796 1.00 0.00 C ATOM 356 O THR A 24 6.376 -2.133 -2.776 1.00 0.00 O ATOM 357 CB THR A 24 8.885 -0.778 -2.101 1.00 0.00 C ATOM 358 OG1 THR A 24 10.169 -0.752 -1.459 1.00 0.00 O ATOM 359 CG2 THR A 24 8.584 0.589 -2.688 1.00 0.00 C ATOM 0 H THR A 24 8.572 -3.128 -1.037 1.00 0.00 H new ATOM 0 HA THR A 24 7.696 -0.410 -0.337 1.00 0.00 H new ATOM 0 HB THR A 24 8.890 -1.506 -2.912 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.854 -0.488 -2.108 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.362 0.858 -3.402 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.619 0.563 -3.195 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.554 1.330 -1.889 1.00 0.00 H new ATOM 367 N ALA A 25 5.432 -0.739 -1.279 1.00 0.00 N ATOM 368 CA ALA A 25 4.112 -0.801 -1.882 1.00 0.00 C ATOM 369 C ALA A 25 3.845 0.463 -2.685 1.00 0.00 C ATOM 370 O ALA A 25 3.873 1.565 -2.143 1.00 0.00 O ATOM 371 CB ALA A 25 3.049 -0.990 -0.811 1.00 0.00 C ATOM 0 H ALA A 25 5.484 -0.162 -0.440 1.00 0.00 H new ATOM 0 HA ALA A 25 4.073 -1.656 -2.557 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.065 -1.035 -1.279 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.237 -1.918 -0.272 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.082 -0.153 -0.114 1.00 0.00 H new ATOM 377 N THR A 26 3.606 0.303 -3.972 1.00 0.00 N ATOM 378 CA THR A 26 3.368 1.437 -4.849 1.00 0.00 C ATOM 379 C THR A 26 1.895 1.836 -4.824 1.00 0.00 C ATOM 380 O THR A 26 1.046 1.150 -5.401 1.00 0.00 O ATOM 381 CB THR A 26 3.795 1.117 -6.296 1.00 0.00 C ATOM 382 OG1 THR A 26 5.144 0.629 -6.307 1.00 0.00 O ATOM 383 CG2 THR A 26 3.698 2.353 -7.181 1.00 0.00 C ATOM 0 H THR A 26 3.571 -0.604 -4.437 1.00 0.00 H new ATOM 0 HA THR A 26 3.969 2.270 -4.484 1.00 0.00 H new ATOM 0 HB THR A 26 3.122 0.355 -6.688 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.721 1.252 -5.818 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.005 2.099 -8.196 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.669 2.713 -7.192 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.351 3.133 -6.789 1.00 0.00 H new ATOM 391 N ILE A 27 1.596 2.926 -4.134 1.00 0.00 N ATOM 392 CA ILE A 27 0.236 3.429 -4.054 1.00 0.00 C ATOM 393 C ILE A 27 0.053 4.557 -5.058 1.00 0.00 C ATOM 394 O ILE A 27 0.741 5.576 -4.994 1.00 0.00 O ATOM 395 CB ILE A 27 -0.108 3.949 -2.640 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.329 2.938 -1.570 1.00 0.00 C ATOM 397 CG2 ILE A 27 -1.598 4.241 -2.524 1.00 0.00 C ATOM 398 CD1 ILE A 27 -0.236 1.546 -1.756 1.00 0.00 C ATOM 0 H ILE A 27 2.281 3.480 -3.620 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.436 2.601 -4.280 1.00 0.00 H new ATOM 0 HB ILE A 27 0.437 4.878 -2.476 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.417 2.878 -1.568 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.028 3.311 -0.591 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.820 4.606 -1.521 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.878 4.998 -3.256 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.163 3.328 -2.711 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.124 0.898 -0.957 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.325 1.588 -1.727 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.086 1.148 -2.718 1.00 0.00 H new ATOM 410 N GLU A 28 -0.862 4.368 -5.987 1.00 0.00 N ATOM 411 CA GLU A 28 -1.061 5.320 -7.061 1.00 0.00 C ATOM 412 C GLU A 28 -2.486 5.857 -7.038 1.00 0.00 C ATOM 413 O GLU A 28 -3.436 5.113 -6.788 1.00 0.00 O ATOM 414 CB GLU A 28 -0.759 4.646 -8.397 1.00 0.00 C ATOM 415 CG GLU A 28 -0.745 5.593 -9.581 1.00 0.00 C ATOM 416 CD GLU A 28 -0.193 4.932 -10.824 1.00 0.00 C ATOM 417 OE1 GLU A 28 1.042 4.781 -10.915 1.00 0.00 O ATOM 418 OE2 GLU A 28 -0.992 4.546 -11.706 1.00 0.00 O ATOM 0 H GLU A 28 -1.483 3.559 -6.020 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.383 6.163 -6.927 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.210 4.151 -8.331 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.503 3.869 -8.576 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.758 5.945 -9.776 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.144 6.469 -9.338 1.00 0.00 H new ATOM 425 N ASN A 29 -2.624 7.151 -7.276 1.00 0.00 N ATOM 426 CA ASN A 29 -3.937 7.785 -7.305 1.00 0.00 C ATOM 427 C ASN A 29 -4.474 7.779 -8.727 1.00 0.00 C ATOM 428 O ASN A 29 -4.101 8.615 -9.542 1.00 0.00 O ATOM 429 CB ASN A 29 -3.851 9.224 -6.782 1.00 0.00 C ATOM 430 CG ASN A 29 -5.209 9.894 -6.621 1.00 0.00 C ATOM 431 OD1 ASN A 29 -6.180 9.563 -7.304 1.00 0.00 O ATOM 432 ND2 ASN A 29 -5.283 10.853 -5.714 1.00 0.00 N ATOM 0 H ASN A 29 -1.845 7.785 -7.452 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.614 7.224 -6.660 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.339 9.222 -5.820 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.242 9.815 -7.466 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.164 11.344 -5.562 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.459 11.101 -5.166 1.00 0.00 H new ATOM 439 N GLN A 30 -5.350 6.837 -9.021 1.00 0.00 N ATOM 440 CA GLN A 30 -5.877 6.693 -10.364 1.00 0.00 C ATOM 441 C GLN A 30 -7.282 7.280 -10.450 1.00 0.00 C ATOM 442 O GLN A 30 -8.221 6.643 -10.933 1.00 0.00 O ATOM 443 CB GLN A 30 -5.852 5.223 -10.790 1.00 0.00 C ATOM 444 CG GLN A 30 -4.456 4.616 -10.733 1.00 0.00 C ATOM 445 CD GLN A 30 -4.373 3.245 -11.372 1.00 0.00 C ATOM 446 OE1 GLN A 30 -5.346 2.495 -11.401 1.00 0.00 O ATOM 447 NE2 GLN A 30 -3.200 2.901 -11.882 1.00 0.00 N ATOM 0 H GLN A 30 -5.711 6.161 -8.348 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.244 7.249 -11.055 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.519 4.651 -10.145 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -6.240 5.137 -11.805 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.756 5.285 -11.233 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.141 4.544 -9.692 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.415 3.551 -11.839 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.082 1.986 -12.318 1.00 0.00 H new ATOM 456 N GLY A 31 -7.397 8.524 -10.004 1.00 0.00 N ATOM 457 CA GLY A 31 -8.658 9.232 -10.035 1.00 0.00 C ATOM 458 C GLY A 31 -8.451 10.700 -10.338 1.00 0.00 C ATOM 459 O GLY A 31 -7.310 11.156 -10.441 1.00 0.00 O ATOM 0 H GLY A 31 -6.623 9.062 -9.615 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.308 8.790 -10.790 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.163 9.123 -9.075 1.00 0.00 H new ATOM 463 N ASN A 32 -9.534 11.449 -10.480 1.00 0.00 N ATOM 464 CA ASN A 32 -9.433 12.843 -10.903 1.00 0.00 C ATOM 465 C ASN A 32 -9.535 13.797 -9.711 1.00 0.00 C ATOM 466 O ASN A 32 -10.280 14.780 -9.739 1.00 0.00 O ATOM 467 CB ASN A 32 -10.513 13.161 -11.949 1.00 0.00 C ATOM 468 CG ASN A 32 -10.213 14.422 -12.751 1.00 0.00 C ATOM 469 OD1 ASN A 32 -9.503 14.379 -13.758 1.00 0.00 O ATOM 470 ND2 ASN A 32 -10.771 15.545 -12.333 1.00 0.00 N ATOM 0 H ASN A 32 -10.485 11.122 -10.311 1.00 0.00 H new ATOM 0 HA ASN A 32 -8.453 12.988 -11.357 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -10.609 12.317 -12.632 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -11.474 13.276 -11.447 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -10.620 16.412 -12.848 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -11.353 15.544 -11.495 1.00 0.00 H new ATOM 477 N LYS A 33 -8.816 13.481 -8.642 1.00 0.00 N ATOM 478 CA LYS A 33 -8.640 14.412 -7.538 1.00 0.00 C ATOM 479 C LYS A 33 -7.446 14.004 -6.691 1.00 0.00 C ATOM 480 O LYS A 33 -7.045 12.839 -6.693 1.00 0.00 O ATOM 481 CB LYS A 33 -9.885 14.495 -6.650 1.00 0.00 C ATOM 482 CG LYS A 33 -9.825 15.656 -5.669 1.00 0.00 C ATOM 483 CD LYS A 33 -10.906 15.574 -4.613 1.00 0.00 C ATOM 484 CE LYS A 33 -10.898 16.803 -3.717 1.00 0.00 C ATOM 485 NZ LYS A 33 -9.592 17.001 -3.024 1.00 0.00 N ATOM 0 H LYS A 33 -8.345 12.585 -8.517 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.469 15.396 -7.974 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.769 14.600 -7.279 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.996 13.562 -6.097 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.848 15.670 -5.185 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.924 16.595 -6.214 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.880 15.478 -5.093 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.759 14.679 -4.008 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -11.125 17.685 -4.315 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -11.689 16.710 -2.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.707 17.695 -2.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.270 16.096 -2.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.887 17.350 -3.705 1.00 0.00 H new ATOM 499 N ASP A 34 -6.892 14.967 -5.973 1.00 0.00 N ATOM 500 CA ASP A 34 -5.832 14.710 -5.010 1.00 0.00 C ATOM 501 C ASP A 34 -6.380 13.918 -3.828 1.00 0.00 C ATOM 502 O ASP A 34 -7.594 13.821 -3.640 1.00 0.00 O ATOM 503 CB ASP A 34 -5.254 16.032 -4.503 1.00 0.00 C ATOM 504 CG ASP A 34 -6.273 16.839 -3.719 1.00 0.00 C ATOM 505 OD1 ASP A 34 -7.216 17.381 -4.342 1.00 0.00 O ATOM 506 OD2 ASP A 34 -6.143 16.934 -2.484 1.00 0.00 O ATOM 0 H ASP A 34 -7.163 15.948 -6.041 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.048 14.134 -5.501 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.389 15.830 -3.871 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.900 16.621 -5.349 1.00 0.00 H new ATOM 511 N SER A 35 -5.488 13.355 -3.033 1.00 0.00 N ATOM 512 CA SER A 35 -5.892 12.611 -1.856 1.00 0.00 C ATOM 513 C SER A 35 -5.116 13.078 -0.631 1.00 0.00 C ATOM 514 O SER A 35 -3.894 13.256 -0.683 1.00 0.00 O ATOM 515 CB SER A 35 -5.705 11.112 -2.086 1.00 0.00 C ATOM 516 OG SER A 35 -4.443 10.839 -2.664 1.00 0.00 O ATOM 0 H SER A 35 -4.480 13.399 -3.182 1.00 0.00 H new ATOM 0 HA SER A 35 -6.950 12.798 -1.672 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.797 10.581 -1.138 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.495 10.740 -2.738 1.00 0.00 H new ATOM 0 HG SER A 35 -3.989 11.682 -2.872 1.00 0.00 H new ATOM 522 N THR A 36 -5.834 13.280 0.460 1.00 0.00 N ATOM 523 CA THR A 36 -5.253 13.784 1.690 1.00 0.00 C ATOM 524 C THR A 36 -4.561 12.669 2.476 1.00 0.00 C ATOM 525 O THR A 36 -4.331 11.581 1.944 1.00 0.00 O ATOM 526 CB THR A 36 -6.343 14.454 2.542 1.00 0.00 C ATOM 527 OG1 THR A 36 -7.520 13.630 2.563 1.00 0.00 O ATOM 528 CG2 THR A 36 -6.690 15.821 1.976 1.00 0.00 C ATOM 0 H THR A 36 -6.836 13.099 0.517 1.00 0.00 H new ATOM 0 HA THR A 36 -4.494 14.524 1.436 1.00 0.00 H new ATOM 0 HB THR A 36 -5.966 14.576 3.558 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.211 14.060 3.109 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.463 16.283 2.590 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.801 16.451 1.977 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.055 15.710 0.955 1.00 0.00 H new ATOM 536 N SER A 37 -4.215 12.946 3.728 1.00 0.00 N ATOM 537 CA SER A 37 -3.495 11.985 4.551 1.00 0.00 C ATOM 538 C SER A 37 -4.323 10.722 4.773 1.00 0.00 C ATOM 539 O SER A 37 -5.435 10.775 5.307 1.00 0.00 O ATOM 540 CB SER A 37 -3.118 12.616 5.895 1.00 0.00 C ATOM 541 OG SER A 37 -2.242 11.773 6.629 1.00 0.00 O ATOM 0 H SER A 37 -4.422 13.829 4.194 1.00 0.00 H new ATOM 0 HA SER A 37 -2.584 11.703 4.024 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.641 13.581 5.726 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.020 12.804 6.478 1.00 0.00 H new ATOM 0 HG SER A 37 -1.682 11.263 6.007 1.00 0.00 H new ATOM 547 N PHE A 38 -3.777 9.592 4.350 1.00 0.00 N ATOM 548 CA PHE A 38 -4.438 8.306 4.516 1.00 0.00 C ATOM 549 C PHE A 38 -3.457 7.296 5.103 1.00 0.00 C ATOM 550 O PHE A 38 -2.243 7.487 5.025 1.00 0.00 O ATOM 551 CB PHE A 38 -4.993 7.806 3.174 1.00 0.00 C ATOM 552 CG PHE A 38 -3.937 7.511 2.144 1.00 0.00 C ATOM 553 CD1 PHE A 38 -3.400 8.524 1.364 1.00 0.00 C ATOM 554 CD2 PHE A 38 -3.481 6.218 1.957 1.00 0.00 C ATOM 555 CE1 PHE A 38 -2.427 8.248 0.420 1.00 0.00 C ATOM 556 CE2 PHE A 38 -2.510 5.940 1.019 1.00 0.00 C ATOM 557 CZ PHE A 38 -1.984 6.951 0.251 1.00 0.00 C ATOM 0 H PHE A 38 -2.870 9.540 3.886 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.276 8.425 5.203 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.577 6.903 3.349 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.676 8.555 2.774 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.745 9.539 1.495 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.891 5.417 2.554 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -2.015 9.044 -0.183 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.162 4.926 0.887 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.224 6.731 -0.485 1.00 0.00 H new ATOM 567 N ASN A 39 -3.973 6.228 5.683 1.00 0.00 N ATOM 568 CA ASN A 39 -3.127 5.244 6.346 1.00 0.00 C ATOM 569 C ASN A 39 -3.021 3.976 5.508 1.00 0.00 C ATOM 570 O ASN A 39 -4.031 3.393 5.141 1.00 0.00 O ATOM 571 CB ASN A 39 -3.709 4.899 7.718 1.00 0.00 C ATOM 572 CG ASN A 39 -2.663 4.899 8.811 1.00 0.00 C ATOM 573 OD1 ASN A 39 -1.473 4.711 8.556 1.00 0.00 O ATOM 574 ND2 ASN A 39 -3.104 5.101 10.040 1.00 0.00 N ATOM 0 H ASN A 39 -4.971 6.017 5.710 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.131 5.671 6.467 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.490 5.617 7.968 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.181 3.918 7.672 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -2.450 5.105 10.822 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -4.099 5.253 10.206 1.00 0.00 H new ATOM 581 N VAL A 40 -1.811 3.544 5.200 1.00 0.00 N ATOM 582 CA VAL A 40 -1.632 2.318 4.435 1.00 0.00 C ATOM 583 C VAL A 40 -1.009 1.230 5.305 1.00 0.00 C ATOM 584 O VAL A 40 0.050 1.422 5.905 1.00 0.00 O ATOM 585 CB VAL A 40 -0.815 2.563 3.136 1.00 0.00 C ATOM 586 CG1 VAL A 40 0.090 1.389 2.802 1.00 0.00 C ATOM 587 CG2 VAL A 40 -1.758 2.815 1.979 1.00 0.00 C ATOM 0 H VAL A 40 -0.946 4.016 5.463 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.616 1.970 4.120 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.183 3.435 3.305 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.642 1.604 1.887 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.792 1.227 3.620 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.514 0.493 2.660 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.181 2.986 1.070 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.404 1.948 1.841 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.369 3.692 2.192 1.00 0.00 H new ATOM 597 N SER A 41 -1.695 0.098 5.388 1.00 0.00 N ATOM 598 CA SER A 41 -1.271 -0.998 6.242 1.00 0.00 C ATOM 599 C SER A 41 -0.964 -2.242 5.418 1.00 0.00 C ATOM 600 O SER A 41 -1.611 -2.498 4.400 1.00 0.00 O ATOM 601 CB SER A 41 -2.370 -1.316 7.258 1.00 0.00 C ATOM 602 OG SER A 41 -2.762 -0.152 7.968 1.00 0.00 O ATOM 0 H SER A 41 -2.554 -0.084 4.869 1.00 0.00 H new ATOM 0 HA SER A 41 -0.363 -0.695 6.764 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.233 -1.740 6.744 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.014 -2.071 7.959 1.00 0.00 H new ATOM 0 HG SER A 41 -3.466 -0.382 8.610 1.00 0.00 H new ATOM 608 N LEU A 42 0.025 -3.007 5.858 1.00 0.00 N ATOM 609 CA LEU A 42 0.368 -4.259 5.205 1.00 0.00 C ATOM 610 C LEU A 42 -0.146 -5.431 6.031 1.00 0.00 C ATOM 611 O LEU A 42 0.364 -5.709 7.122 1.00 0.00 O ATOM 612 CB LEU A 42 1.882 -4.373 5.008 1.00 0.00 C ATOM 613 CG LEU A 42 2.339 -5.612 4.235 1.00 0.00 C ATOM 614 CD1 LEU A 42 1.758 -5.610 2.830 1.00 0.00 C ATOM 615 CD2 LEU A 42 3.856 -5.681 4.183 1.00 0.00 C ATOM 0 H LEU A 42 0.604 -2.780 6.666 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.105 -4.279 4.223 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.233 -3.485 4.483 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.362 -4.376 5.987 1.00 0.00 H new ATOM 0 HG LEU A 42 1.973 -6.495 4.758 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.094 -6.499 2.296 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.669 -5.611 2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.093 -4.719 2.299 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.161 -6.569 3.629 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.244 -4.792 3.686 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.253 -5.732 5.197 1.00 0.00 H new ATOM 627 N LEU A 43 -1.170 -6.094 5.522 1.00 0.00 N ATOM 628 CA LEU A 43 -1.769 -7.220 6.216 1.00 0.00 C ATOM 629 C LEU A 43 -1.230 -8.529 5.657 1.00 0.00 C ATOM 630 O LEU A 43 -1.493 -8.881 4.512 1.00 0.00 O ATOM 631 CB LEU A 43 -3.298 -7.193 6.096 1.00 0.00 C ATOM 632 CG LEU A 43 -3.983 -5.915 6.594 1.00 0.00 C ATOM 633 CD1 LEU A 43 -4.045 -4.866 5.497 1.00 0.00 C ATOM 634 CD2 LEU A 43 -5.376 -6.228 7.118 1.00 0.00 C ATOM 0 H LEU A 43 -1.605 -5.871 4.627 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.506 -7.143 7.271 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.564 -7.341 5.050 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.702 -8.040 6.651 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.389 -5.509 7.412 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.536 -3.970 5.878 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.034 -4.617 5.174 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.610 -5.257 4.651 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.848 -5.310 7.468 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.976 -6.663 6.319 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.304 -6.936 7.944 1.00 0.00 H new ATOM 646 N VAL A 44 -0.475 -9.241 6.472 1.00 0.00 N ATOM 647 CA VAL A 44 0.100 -10.511 6.075 1.00 0.00 C ATOM 648 C VAL A 44 -0.770 -11.658 6.572 1.00 0.00 C ATOM 649 O VAL A 44 -0.830 -11.927 7.774 1.00 0.00 O ATOM 650 CB VAL A 44 1.532 -10.680 6.619 1.00 0.00 C ATOM 651 CG1 VAL A 44 2.108 -12.028 6.216 1.00 0.00 C ATOM 652 CG2 VAL A 44 2.421 -9.552 6.127 1.00 0.00 C ATOM 0 H VAL A 44 -0.244 -8.956 7.424 1.00 0.00 H new ATOM 0 HA VAL A 44 0.144 -10.526 4.986 1.00 0.00 H new ATOM 0 HB VAL A 44 1.491 -10.641 7.708 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.119 -12.124 6.611 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.483 -12.826 6.619 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.135 -12.102 5.129 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.429 -9.685 6.520 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.452 -9.562 5.037 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.021 -8.598 6.470 1.00 0.00 H new ATOM 662 N ASP A 45 -1.475 -12.287 5.637 1.00 0.00 N ATOM 663 CA ASP A 45 -2.333 -13.439 5.924 1.00 0.00 C ATOM 664 C ASP A 45 -3.418 -13.094 6.943 1.00 0.00 C ATOM 665 O ASP A 45 -3.972 -13.977 7.598 1.00 0.00 O ATOM 666 CB ASP A 45 -1.498 -14.634 6.407 1.00 0.00 C ATOM 667 CG ASP A 45 -0.670 -15.255 5.294 1.00 0.00 C ATOM 668 OD1 ASP A 45 -1.197 -16.123 4.569 1.00 0.00 O ATOM 669 OD2 ASP A 45 0.509 -14.876 5.134 1.00 0.00 O ATOM 0 H ASP A 45 -1.470 -12.014 4.654 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.829 -13.716 4.994 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.836 -14.309 7.210 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.161 -15.390 6.827 1.00 0.00 H new ATOM 674 N GLY A 46 -3.728 -11.808 7.061 1.00 0.00 N ATOM 675 CA GLY A 46 -4.798 -11.385 7.942 1.00 0.00 C ATOM 676 C GLY A 46 -4.314 -10.511 9.083 1.00 0.00 C ATOM 677 O GLY A 46 -5.081 -9.713 9.626 1.00 0.00 O ATOM 0 H GLY A 46 -3.258 -11.052 6.563 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.543 -10.839 7.364 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.294 -12.265 8.351 1.00 0.00 H new ATOM 681 N ILE A 47 -3.049 -10.655 9.450 1.00 0.00 N ATOM 682 CA ILE A 47 -2.483 -9.887 10.555 1.00 0.00 C ATOM 683 C ILE A 47 -1.761 -8.659 10.016 1.00 0.00 C ATOM 684 O ILE A 47 -1.251 -8.675 8.903 1.00 0.00 O ATOM 685 CB ILE A 47 -1.486 -10.729 11.381 1.00 0.00 C ATOM 686 CG1 ILE A 47 -2.018 -12.153 11.578 1.00 0.00 C ATOM 687 CG2 ILE A 47 -1.224 -10.073 12.732 1.00 0.00 C ATOM 688 CD1 ILE A 47 -1.061 -13.067 12.312 1.00 0.00 C ATOM 0 H ILE A 47 -2.394 -11.295 9.001 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.307 -9.589 11.203 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.546 -10.782 10.832 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.957 -12.107 12.130 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.242 -12.585 10.603 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.519 -10.680 13.301 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -0.805 -9.079 12.578 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.160 -9.991 13.284 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.508 -14.056 12.413 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.130 -13.145 11.751 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.855 -12.659 13.302 1.00 0.00 H new ATOM 700 N VAL A 48 -1.707 -7.603 10.804 1.00 0.00 N ATOM 701 CA VAL A 48 -1.069 -6.368 10.373 1.00 0.00 C ATOM 702 C VAL A 48 0.359 -6.304 10.902 1.00 0.00 C ATOM 703 O VAL A 48 0.578 -6.150 12.101 1.00 0.00 O ATOM 704 CB VAL A 48 -1.849 -5.123 10.850 1.00 0.00 C ATOM 705 CG1 VAL A 48 -1.205 -3.849 10.325 1.00 0.00 C ATOM 706 CG2 VAL A 48 -3.306 -5.204 10.417 1.00 0.00 C ATOM 0 H VAL A 48 -2.096 -7.572 11.746 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.062 -6.367 9.283 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.816 -5.098 11.939 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.771 -2.985 10.673 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.180 -3.782 10.690 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.202 -3.865 9.235 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.838 -4.318 10.763 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.360 -5.259 9.330 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.765 -6.094 10.848 1.00 0.00 H new ATOM 716 N VAL A 49 1.328 -6.435 10.007 1.00 0.00 N ATOM 717 CA VAL A 49 2.727 -6.448 10.415 1.00 0.00 C ATOM 718 C VAL A 49 3.299 -5.039 10.492 1.00 0.00 C ATOM 719 O VAL A 49 4.195 -4.773 11.290 1.00 0.00 O ATOM 720 CB VAL A 49 3.601 -7.305 9.474 1.00 0.00 C ATOM 721 CG1 VAL A 49 3.185 -8.766 9.547 1.00 0.00 C ATOM 722 CG2 VAL A 49 3.529 -6.792 8.043 1.00 0.00 C ATOM 0 H VAL A 49 1.175 -6.533 9.003 1.00 0.00 H new ATOM 0 HA VAL A 49 2.749 -6.897 11.408 1.00 0.00 H new ATOM 0 HB VAL A 49 4.637 -7.225 9.804 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.811 -9.356 8.878 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.304 -9.128 10.568 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.141 -8.863 9.247 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.154 -7.414 7.402 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.497 -6.832 7.694 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.884 -5.762 8.007 1.00 0.00 H new ATOM 732 N ASP A 50 2.778 -4.136 9.670 1.00 0.00 N ATOM 733 CA ASP A 50 3.268 -2.766 9.654 1.00 0.00 C ATOM 734 C ASP A 50 2.215 -1.828 9.074 1.00 0.00 C ATOM 735 O ASP A 50 1.295 -2.264 8.375 1.00 0.00 O ATOM 736 CB ASP A 50 4.566 -2.674 8.846 1.00 0.00 C ATOM 737 CG ASP A 50 5.388 -1.448 9.196 1.00 0.00 C ATOM 738 OD1 ASP A 50 5.001 -0.706 10.127 1.00 0.00 O ATOM 739 OD2 ASP A 50 6.443 -1.236 8.563 1.00 0.00 O ATOM 0 H ASP A 50 2.023 -4.327 9.012 1.00 0.00 H new ATOM 0 HA ASP A 50 3.474 -2.461 10.680 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.163 -3.569 9.022 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.327 -2.654 7.783 1.00 0.00 H new ATOM 744 N THR A 51 2.351 -0.551 9.381 1.00 0.00 N ATOM 745 CA THR A 51 1.416 0.471 8.940 1.00 0.00 C ATOM 746 C THR A 51 2.140 1.802 8.772 1.00 0.00 C ATOM 747 O THR A 51 2.822 2.262 9.688 1.00 0.00 O ATOM 748 CB THR A 51 0.262 0.639 9.955 1.00 0.00 C ATOM 749 OG1 THR A 51 -0.453 -0.598 10.088 1.00 0.00 O ATOM 750 CG2 THR A 51 -0.697 1.739 9.525 1.00 0.00 C ATOM 0 H THR A 51 3.119 -0.190 9.947 1.00 0.00 H new ATOM 0 HA THR A 51 0.998 0.157 7.984 1.00 0.00 H new ATOM 0 HB THR A 51 0.695 0.920 10.915 1.00 0.00 H new ATOM 0 HG1 THR A 51 -1.277 -0.558 9.560 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.497 1.832 10.260 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.158 2.684 9.453 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.124 1.490 8.553 1.00 0.00 H new ATOM 758 N GLN A 52 2.006 2.413 7.608 1.00 0.00 N ATOM 759 CA GLN A 52 2.641 3.693 7.355 1.00 0.00 C ATOM 760 C GLN A 52 1.602 4.709 6.905 1.00 0.00 C ATOM 761 O GLN A 52 0.890 4.494 5.923 1.00 0.00 O ATOM 762 CB GLN A 52 3.728 3.566 6.287 1.00 0.00 C ATOM 763 CG GLN A 52 4.686 4.745 6.270 1.00 0.00 C ATOM 764 CD GLN A 52 5.252 5.030 4.894 1.00 0.00 C ATOM 765 OE1 GLN A 52 6.300 4.512 4.516 1.00 0.00 O ATOM 766 NE2 GLN A 52 4.563 5.866 4.134 1.00 0.00 N ATOM 0 H GLN A 52 1.465 2.044 6.826 1.00 0.00 H new ATOM 0 HA GLN A 52 3.104 4.029 8.282 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.292 2.649 6.458 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.258 3.473 5.308 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.168 5.632 6.634 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.506 4.549 6.961 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.697 6.276 4.483 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.898 6.100 3.199 1.00 0.00 H new ATOM 775 N THR A 53 1.507 5.810 7.628 1.00 0.00 N ATOM 776 CA THR A 53 0.587 6.871 7.268 1.00 0.00 C ATOM 777 C THR A 53 1.185 7.727 6.155 1.00 0.00 C ATOM 778 O THR A 53 2.346 8.132 6.229 1.00 0.00 O ATOM 779 CB THR A 53 0.261 7.749 8.490 1.00 0.00 C ATOM 780 OG1 THR A 53 -0.108 6.912 9.596 1.00 0.00 O ATOM 781 CG2 THR A 53 -0.876 8.712 8.181 1.00 0.00 C ATOM 0 H THR A 53 2.056 5.992 8.468 1.00 0.00 H new ATOM 0 HA THR A 53 -0.338 6.417 6.913 1.00 0.00 H new ATOM 0 HB THR A 53 1.147 8.331 8.743 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.507 6.082 9.260 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.087 9.321 9.060 1.00 0.00 H new ATOM 0 HG22 THR A 53 -0.590 9.359 7.352 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.768 8.147 7.909 1.00 0.00 H new ATOM 789 N VAL A 54 0.407 7.969 5.115 1.00 0.00 N ATOM 790 CA VAL A 54 0.864 8.768 3.993 1.00 0.00 C ATOM 791 C VAL A 54 0.362 10.201 4.135 1.00 0.00 C ATOM 792 O VAL A 54 -0.817 10.429 4.413 1.00 0.00 O ATOM 793 CB VAL A 54 0.394 8.177 2.647 1.00 0.00 C ATOM 794 CG1 VAL A 54 0.967 8.965 1.476 1.00 0.00 C ATOM 795 CG2 VAL A 54 0.780 6.707 2.544 1.00 0.00 C ATOM 0 H VAL A 54 -0.548 7.622 5.025 1.00 0.00 H new ATOM 0 HA VAL A 54 1.954 8.761 4.000 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.693 8.252 2.605 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.621 8.528 0.539 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.635 10.001 1.538 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.056 8.930 1.512 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.440 6.308 1.588 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.863 6.610 2.613 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.313 6.150 3.356 1.00 0.00 H new ATOM 805 N THR A 55 1.269 11.150 3.961 1.00 0.00 N ATOM 806 CA THR A 55 0.966 12.562 4.123 1.00 0.00 C ATOM 807 C THR A 55 -0.102 13.030 3.130 1.00 0.00 C ATOM 808 O THR A 55 -1.061 13.704 3.507 1.00 0.00 O ATOM 809 CB THR A 55 2.245 13.388 3.921 1.00 0.00 C ATOM 810 OG1 THR A 55 3.371 12.640 4.405 1.00 0.00 O ATOM 811 CG2 THR A 55 2.158 14.715 4.656 1.00 0.00 C ATOM 0 H THR A 55 2.238 10.961 3.703 1.00 0.00 H new ATOM 0 HA THR A 55 0.577 12.707 5.131 1.00 0.00 H new ATOM 0 HB THR A 55 2.363 13.595 2.857 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.190 13.162 4.277 1.00 0.00 H new ATOM 0 HG21 THR A 55 3.076 15.280 4.496 1.00 0.00 H new ATOM 0 HG22 THR A 55 1.310 15.286 4.277 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.025 14.532 5.722 1.00 0.00 H new ATOM 819 N SER A 56 0.071 12.656 1.865 1.00 0.00 N ATOM 820 CA SER A 56 -0.843 13.051 0.800 1.00 0.00 C ATOM 821 C SER A 56 -0.363 12.459 -0.523 1.00 0.00 C ATOM 822 O SER A 56 0.832 12.201 -0.695 1.00 0.00 O ATOM 823 CB SER A 56 -0.922 14.583 0.695 1.00 0.00 C ATOM 824 OG SER A 56 -1.890 14.996 -0.258 1.00 0.00 O ATOM 0 H SER A 56 0.847 12.072 1.551 1.00 0.00 H new ATOM 0 HA SER A 56 -1.839 12.673 1.029 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.170 15.002 1.670 1.00 0.00 H new ATOM 0 HB3 SER A 56 0.055 14.979 0.417 1.00 0.00 H new ATOM 0 HG SER A 56 -2.669 14.403 -0.211 1.00 0.00 H new ATOM 830 N LEU A 57 -1.287 12.230 -1.444 1.00 0.00 N ATOM 831 CA LEU A 57 -0.941 11.692 -2.750 1.00 0.00 C ATOM 832 C LEU A 57 -1.565 12.539 -3.854 1.00 0.00 C ATOM 833 O LEU A 57 -2.778 12.775 -3.868 1.00 0.00 O ATOM 834 CB LEU A 57 -1.385 10.228 -2.861 1.00 0.00 C ATOM 835 CG LEU A 57 -1.113 9.555 -4.210 1.00 0.00 C ATOM 836 CD1 LEU A 57 0.354 9.669 -4.589 1.00 0.00 C ATOM 837 CD2 LEU A 57 -1.530 8.096 -4.160 1.00 0.00 C ATOM 0 H LEU A 57 -2.282 12.409 -1.311 1.00 0.00 H new ATOM 0 HA LEU A 57 0.142 11.726 -2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.883 9.655 -2.081 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.455 10.175 -2.658 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.701 10.067 -4.971 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.520 9.183 -5.551 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.630 10.721 -4.661 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.965 9.185 -3.827 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.332 7.628 -5.124 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.963 7.582 -3.384 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.595 8.029 -3.936 1.00 0.00 H new ATOM 849 N GLU A 58 -0.719 12.996 -4.768 1.00 0.00 N ATOM 850 CA GLU A 58 -1.136 13.884 -5.847 1.00 0.00 C ATOM 851 C GLU A 58 -1.874 13.112 -6.938 1.00 0.00 C ATOM 852 O GLU A 58 -1.741 11.890 -7.046 1.00 0.00 O ATOM 853 CB GLU A 58 0.090 14.590 -6.432 1.00 0.00 C ATOM 854 CG GLU A 58 0.920 15.312 -5.384 1.00 0.00 C ATOM 855 CD GLU A 58 2.209 15.882 -5.938 1.00 0.00 C ATOM 856 OE1 GLU A 58 3.109 15.092 -6.288 1.00 0.00 O ATOM 857 OE2 GLU A 58 2.343 17.124 -5.996 1.00 0.00 O ATOM 0 H GLU A 58 0.274 12.763 -4.783 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.822 14.627 -5.441 1.00 0.00 H new ATOM 0 HB2 GLU A 58 0.716 13.856 -6.940 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.236 15.307 -7.185 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.328 16.119 -4.953 1.00 0.00 H new ATOM 0 HG3 GLU A 58 1.154 14.621 -4.574 1.00 0.00 H new ATOM 864 N SER A 59 -2.641 13.836 -7.745 1.00 0.00 N ATOM 865 CA SER A 59 -3.452 13.233 -8.796 1.00 0.00 C ATOM 866 C SER A 59 -2.584 12.480 -9.802 1.00 0.00 C ATOM 867 O SER A 59 -1.694 13.061 -10.425 1.00 0.00 O ATOM 868 CB SER A 59 -4.256 14.315 -9.516 1.00 0.00 C ATOM 869 OG SER A 59 -4.921 15.161 -8.589 1.00 0.00 O ATOM 0 H SER A 59 -2.718 14.852 -7.690 1.00 0.00 H new ATOM 0 HA SER A 59 -4.132 12.519 -8.331 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.591 14.909 -10.143 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.987 13.850 -10.177 1.00 0.00 H new ATOM 0 HG SER A 59 -5.427 15.845 -9.075 1.00 0.00 H new ATOM 875 N GLU A 60 -2.843 11.180 -9.926 1.00 0.00 N ATOM 876 CA GLU A 60 -2.147 10.311 -10.878 1.00 0.00 C ATOM 877 C GLU A 60 -0.647 10.252 -10.618 1.00 0.00 C ATOM 878 O GLU A 60 0.145 9.970 -11.521 1.00 0.00 O ATOM 879 CB GLU A 60 -2.443 10.733 -12.315 1.00 0.00 C ATOM 880 CG GLU A 60 -3.895 10.512 -12.698 1.00 0.00 C ATOM 881 CD GLU A 60 -4.163 10.751 -14.164 1.00 0.00 C ATOM 882 OE1 GLU A 60 -3.729 9.919 -14.991 1.00 0.00 O ATOM 883 OE2 GLU A 60 -4.817 11.759 -14.496 1.00 0.00 O ATOM 0 H GLU A 60 -3.545 10.695 -9.367 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.530 9.301 -10.731 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.194 11.787 -12.439 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.802 10.172 -12.995 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.180 9.491 -12.444 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.526 11.176 -12.106 1.00 0.00 H new ATOM 890 N ASN A 61 -0.260 10.501 -9.376 1.00 0.00 N ATOM 891 CA ASN A 61 1.117 10.301 -8.963 1.00 0.00 C ATOM 892 C ASN A 61 1.203 8.982 -8.203 1.00 0.00 C ATOM 893 O ASN A 61 0.185 8.467 -7.732 1.00 0.00 O ATOM 894 CB ASN A 61 1.608 11.462 -8.086 1.00 0.00 C ATOM 895 CG ASN A 61 3.124 11.612 -8.100 1.00 0.00 C ATOM 896 OD1 ASN A 61 3.861 10.653 -8.329 1.00 0.00 O ATOM 897 ND2 ASN A 61 3.603 12.820 -7.840 1.00 0.00 N ATOM 0 H ASN A 61 -0.879 10.841 -8.640 1.00 0.00 H new ATOM 0 HA ASN A 61 1.759 10.269 -9.843 1.00 0.00 H new ATOM 0 HB2 ASN A 61 1.152 12.390 -8.431 1.00 0.00 H new ATOM 0 HB3 ASN A 61 1.272 11.304 -7.061 1.00 0.00 H new ATOM 0 HD21 ASN A 61 4.611 12.977 -7.825 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.964 13.593 -7.655 1.00 0.00 H new ATOM 904 N SER A 62 2.399 8.441 -8.086 1.00 0.00 N ATOM 905 CA SER A 62 2.589 7.155 -7.446 1.00 0.00 C ATOM 906 C SER A 62 3.556 7.294 -6.277 1.00 0.00 C ATOM 907 O SER A 62 4.707 7.693 -6.459 1.00 0.00 O ATOM 908 CB SER A 62 3.131 6.148 -8.462 1.00 0.00 C ATOM 909 OG SER A 62 2.724 6.487 -9.781 1.00 0.00 O ATOM 0 H SER A 62 3.257 8.874 -8.427 1.00 0.00 H new ATOM 0 HA SER A 62 1.631 6.797 -7.068 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.219 6.122 -8.409 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.776 5.148 -8.213 1.00 0.00 H new ATOM 0 HG SER A 62 1.941 5.953 -10.029 1.00 0.00 H new ATOM 915 N THR A 63 3.086 6.985 -5.081 1.00 0.00 N ATOM 916 CA THR A 63 3.914 7.077 -3.894 1.00 0.00 C ATOM 917 C THR A 63 4.208 5.691 -3.333 1.00 0.00 C ATOM 918 O THR A 63 3.299 4.890 -3.108 1.00 0.00 O ATOM 919 CB THR A 63 3.254 7.964 -2.816 1.00 0.00 C ATOM 920 OG1 THR A 63 3.168 9.313 -3.295 1.00 0.00 O ATOM 921 CG2 THR A 63 4.043 7.941 -1.513 1.00 0.00 C ATOM 0 H THR A 63 2.132 6.667 -4.907 1.00 0.00 H new ATOM 0 HA THR A 63 4.856 7.543 -4.184 1.00 0.00 H new ATOM 0 HB THR A 63 2.258 7.569 -2.617 1.00 0.00 H new ATOM 0 HG1 THR A 63 2.623 9.845 -2.678 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.549 8.576 -0.777 1.00 0.00 H new ATOM 0 HG22 THR A 63 4.092 6.920 -1.136 1.00 0.00 H new ATOM 0 HG23 THR A 63 5.053 8.311 -1.692 1.00 0.00 H new ATOM 929 N ASN A 64 5.485 5.411 -3.131 1.00 0.00 N ATOM 930 CA ASN A 64 5.909 4.133 -2.591 1.00 0.00 C ATOM 931 C ASN A 64 5.895 4.165 -1.073 1.00 0.00 C ATOM 932 O ASN A 64 6.354 5.127 -0.456 1.00 0.00 O ATOM 933 CB ASN A 64 7.307 3.770 -3.092 1.00 0.00 C ATOM 934 CG ASN A 64 7.315 3.319 -4.540 1.00 0.00 C ATOM 935 OD1 ASN A 64 6.352 2.728 -5.028 1.00 0.00 O ATOM 936 ND2 ASN A 64 8.407 3.586 -5.233 1.00 0.00 N ATOM 0 H ASN A 64 6.248 6.056 -3.335 1.00 0.00 H new ATOM 0 HA ASN A 64 5.208 3.373 -2.934 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.963 4.634 -2.982 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.717 2.977 -2.467 1.00 0.00 H new ATOM 0 HD21 ASN A 64 8.474 3.300 -6.210 1.00 0.00 H new ATOM 0 HD22 ASN A 64 9.184 4.078 -4.791 1.00 0.00 H new ATOM 943 N VAL A 65 5.356 3.117 -0.477 1.00 0.00 N ATOM 944 CA VAL A 65 5.284 3.009 0.968 1.00 0.00 C ATOM 945 C VAL A 65 6.454 2.192 1.491 1.00 0.00 C ATOM 946 O VAL A 65 6.771 1.131 0.946 1.00 0.00 O ATOM 947 CB VAL A 65 3.960 2.353 1.411 1.00 0.00 C ATOM 948 CG1 VAL A 65 3.816 2.381 2.923 1.00 0.00 C ATOM 949 CG2 VAL A 65 2.782 3.041 0.745 1.00 0.00 C ATOM 0 H VAL A 65 4.958 2.322 -0.977 1.00 0.00 H new ATOM 0 HA VAL A 65 5.328 4.017 1.382 1.00 0.00 H new ATOM 0 HB VAL A 65 3.975 1.309 1.097 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.874 1.912 3.208 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.644 1.837 3.377 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.827 3.414 3.270 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.855 2.567 1.067 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.769 4.094 1.027 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.876 2.956 -0.338 1.00 0.00 H new ATOM 959 N ASP A 66 7.097 2.693 2.534 1.00 0.00 N ATOM 960 CA ASP A 66 8.265 2.046 3.108 1.00 0.00 C ATOM 961 C ASP A 66 7.866 1.213 4.318 1.00 0.00 C ATOM 962 O ASP A 66 7.700 1.736 5.421 1.00 0.00 O ATOM 963 CB ASP A 66 9.308 3.102 3.495 1.00 0.00 C ATOM 964 CG ASP A 66 10.552 2.519 4.142 1.00 0.00 C ATOM 965 OD1 ASP A 66 11.325 1.834 3.444 1.00 0.00 O ATOM 966 OD2 ASP A 66 10.771 2.766 5.349 1.00 0.00 O ATOM 0 H ASP A 66 6.825 3.556 3.005 1.00 0.00 H new ATOM 0 HA ASP A 66 8.704 1.379 2.366 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.599 3.657 2.603 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.853 3.816 4.181 1.00 0.00 H new ATOM 971 N PHE A 67 7.678 -0.080 4.100 1.00 0.00 N ATOM 972 CA PHE A 67 7.316 -0.993 5.171 1.00 0.00 C ATOM 973 C PHE A 67 8.544 -1.715 5.698 1.00 0.00 C ATOM 974 O PHE A 67 9.517 -1.922 4.972 1.00 0.00 O ATOM 975 CB PHE A 67 6.300 -2.031 4.697 1.00 0.00 C ATOM 976 CG PHE A 67 4.893 -1.526 4.594 1.00 0.00 C ATOM 977 CD1 PHE A 67 4.283 -0.915 5.678 1.00 0.00 C ATOM 978 CD2 PHE A 67 4.171 -1.681 3.422 1.00 0.00 C ATOM 979 CE1 PHE A 67 2.982 -0.467 5.595 1.00 0.00 C ATOM 980 CE2 PHE A 67 2.867 -1.238 3.335 1.00 0.00 C ATOM 981 CZ PHE A 67 2.272 -0.631 4.423 1.00 0.00 C ATOM 0 H PHE A 67 7.771 -0.521 3.185 1.00 0.00 H new ATOM 0 HA PHE A 67 6.870 -0.395 5.966 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.610 -2.404 3.721 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.319 -2.878 5.383 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.833 -0.788 6.599 1.00 0.00 H new ATOM 0 HD2 PHE A 67 4.633 -2.153 2.568 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.519 0.011 6.446 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.313 -1.366 2.417 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.251 -0.285 4.357 1.00 0.00 H new ATOM 991 N HIS A 68 8.491 -2.107 6.957 1.00 0.00 N ATOM 992 CA HIS A 68 9.590 -2.832 7.571 1.00 0.00 C ATOM 993 C HIS A 68 9.092 -4.183 8.062 1.00 0.00 C ATOM 994 O HIS A 68 8.561 -4.303 9.166 1.00 0.00 O ATOM 995 CB HIS A 68 10.191 -2.024 8.727 1.00 0.00 C ATOM 996 CG HIS A 68 10.420 -0.584 8.379 1.00 0.00 C ATOM 997 ND1 HIS A 68 9.756 0.447 8.996 1.00 0.00 N ATOM 998 CD2 HIS A 68 11.211 -0.013 7.445 1.00 0.00 C ATOM 999 CE1 HIS A 68 10.122 1.590 8.455 1.00 0.00 C ATOM 1000 NE2 HIS A 68 11.006 1.343 7.507 1.00 0.00 N ATOM 0 H HIS A 68 7.698 -1.936 7.576 1.00 0.00 H new ATOM 0 HA HIS A 68 10.374 -2.988 6.830 1.00 0.00 H new ATOM 0 HB2 HIS A 68 9.525 -2.082 9.588 1.00 0.00 H new ATOM 0 HB3 HIS A 68 11.138 -2.475 9.025 1.00 0.00 H new ATOM 0 HD2 HIS A 68 11.881 -0.528 6.773 1.00 0.00 H new ATOM 0 HE1 HIS A 68 9.759 2.567 8.740 1.00 0.00 H new ATOM 0 HE2 HIS A 68 11.460 2.042 6.919 1.00 0.00 H new ATOM 1009 N TRP A 69 9.245 -5.193 7.219 1.00 0.00 N ATOM 1010 CA TRP A 69 8.704 -6.512 7.499 1.00 0.00 C ATOM 1011 C TRP A 69 9.817 -7.542 7.678 1.00 0.00 C ATOM 1012 O TRP A 69 10.607 -7.786 6.764 1.00 0.00 O ATOM 1013 CB TRP A 69 7.762 -6.925 6.365 1.00 0.00 C ATOM 1014 CG TRP A 69 7.229 -8.313 6.499 1.00 0.00 C ATOM 1015 CD1 TRP A 69 6.781 -8.910 7.639 1.00 0.00 C ATOM 1016 CD2 TRP A 69 7.084 -9.277 5.453 1.00 0.00 C ATOM 1017 NE1 TRP A 69 6.370 -10.192 7.369 1.00 0.00 N ATOM 1018 CE2 TRP A 69 6.548 -10.441 6.031 1.00 0.00 C ATOM 1019 CE3 TRP A 69 7.362 -9.271 4.084 1.00 0.00 C ATOM 1020 CZ2 TRP A 69 6.280 -11.585 5.285 1.00 0.00 C ATOM 1021 CZ3 TRP A 69 7.095 -10.406 3.345 1.00 0.00 C ATOM 1022 CH2 TRP A 69 6.561 -11.550 3.947 1.00 0.00 C ATOM 0 H TRP A 69 9.742 -5.122 6.331 1.00 0.00 H new ATOM 0 HA TRP A 69 8.147 -6.470 8.435 1.00 0.00 H new ATOM 0 HB2 TRP A 69 6.926 -6.227 6.328 1.00 0.00 H new ATOM 0 HB3 TRP A 69 8.291 -6.839 5.416 1.00 0.00 H new ATOM 0 HD1 TRP A 69 6.753 -8.443 8.612 1.00 0.00 H new ATOM 0 HE1 TRP A 69 5.994 -10.851 8.051 1.00 0.00 H new ATOM 0 HE3 TRP A 69 7.779 -8.394 3.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 5.865 -12.469 5.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 7.302 -10.411 2.285 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.367 -12.424 3.343 1.00 0.00 H new ATOM 1033 N THR A 70 9.877 -8.133 8.864 1.00 0.00 N ATOM 1034 CA THR A 70 10.878 -9.142 9.171 1.00 0.00 C ATOM 1035 C THR A 70 10.360 -10.533 8.813 1.00 0.00 C ATOM 1036 O THR A 70 9.166 -10.813 8.934 1.00 0.00 O ATOM 1037 CB THR A 70 11.279 -9.096 10.667 1.00 0.00 C ATOM 1038 OG1 THR A 70 12.396 -9.959 10.918 1.00 0.00 O ATOM 1039 CG2 THR A 70 10.118 -9.497 11.568 1.00 0.00 C ATOM 0 H THR A 70 9.239 -7.928 9.633 1.00 0.00 H new ATOM 0 HA THR A 70 11.763 -8.926 8.573 1.00 0.00 H new ATOM 0 HB THR A 70 11.557 -8.067 10.896 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.636 -9.916 11.867 1.00 0.00 H new ATOM 0 HG21 THR A 70 10.434 -9.454 12.610 1.00 0.00 H new ATOM 0 HG22 THR A 70 9.284 -8.812 11.413 1.00 0.00 H new ATOM 0 HG23 THR A 70 9.804 -10.512 11.326 1.00 0.00 H new ATOM 1047 N LEU A 71 11.249 -11.395 8.350 1.00 0.00 N ATOM 1048 CA LEU A 71 10.868 -12.750 7.987 1.00 0.00 C ATOM 1049 C LEU A 71 11.438 -13.770 8.949 1.00 0.00 C ATOM 1050 O LEU A 71 12.642 -13.799 9.200 1.00 0.00 O ATOM 1051 CB LEU A 71 11.332 -13.102 6.575 1.00 0.00 C ATOM 1052 CG LEU A 71 10.333 -12.815 5.460 1.00 0.00 C ATOM 1053 CD1 LEU A 71 8.992 -13.453 5.772 1.00 0.00 C ATOM 1054 CD2 LEU A 71 10.191 -11.323 5.231 1.00 0.00 C ATOM 0 H LEU A 71 12.238 -11.182 8.217 1.00 0.00 H new ATOM 0 HA LEU A 71 9.779 -12.782 8.032 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.249 -12.552 6.366 1.00 0.00 H new ATOM 0 HB3 LEU A 71 11.583 -14.162 6.549 1.00 0.00 H new ATOM 0 HG LEU A 71 10.711 -13.256 4.537 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.291 -13.238 4.966 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.116 -14.532 5.868 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.605 -13.048 6.707 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.473 -11.144 4.431 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.840 -10.846 6.146 1.00 0.00 H new ATOM 0 HD23 LEU A 71 11.158 -10.904 4.951 1.00 0.00 H new ATOM 1066 N ASP A 72 10.566 -14.611 9.469 1.00 0.00 N ATOM 1067 CA ASP A 72 10.992 -15.745 10.273 1.00 0.00 C ATOM 1068 C ASP A 72 11.208 -16.952 9.380 1.00 0.00 C ATOM 1069 O ASP A 72 12.025 -17.820 9.671 1.00 0.00 O ATOM 1070 CB ASP A 72 9.955 -16.098 11.340 1.00 0.00 C ATOM 1071 CG ASP A 72 9.882 -15.095 12.469 1.00 0.00 C ATOM 1072 OD1 ASP A 72 10.925 -14.814 13.093 1.00 0.00 O ATOM 1073 OD2 ASP A 72 8.769 -14.610 12.763 1.00 0.00 O ATOM 0 H ASP A 72 9.556 -14.532 9.350 1.00 0.00 H new ATOM 0 HA ASP A 72 11.921 -15.468 10.771 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.975 -16.175 10.870 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.190 -17.080 11.752 1.00 0.00 H new ATOM 1078 N GLY A 73 10.473 -16.986 8.275 1.00 0.00 N ATOM 1079 CA GLY A 73 10.513 -18.134 7.393 1.00 0.00 C ATOM 1080 C GLY A 73 9.512 -19.188 7.819 1.00 0.00 C ATOM 1081 O GLY A 73 9.757 -20.384 7.678 1.00 0.00 O ATOM 0 H GLY A 73 9.849 -16.237 7.975 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.300 -17.819 6.372 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.516 -18.561 7.392 1.00 0.00 H new ATOM 1085 N THR A 74 8.387 -18.729 8.348 1.00 0.00 N ATOM 1086 CA THR A 74 7.336 -19.610 8.835 1.00 0.00 C ATOM 1087 C THR A 74 6.685 -20.361 7.681 1.00 0.00 C ATOM 1088 O THR A 74 6.255 -21.508 7.826 1.00 0.00 O ATOM 1089 CB THR A 74 6.252 -18.801 9.568 1.00 0.00 C ATOM 1090 OG1 THR A 74 6.821 -17.584 10.076 1.00 0.00 O ATOM 1091 CG2 THR A 74 5.655 -19.605 10.715 1.00 0.00 C ATOM 0 H THR A 74 8.177 -17.736 8.452 1.00 0.00 H new ATOM 0 HA THR A 74 7.793 -20.322 9.522 1.00 0.00 H new ATOM 0 HB THR A 74 5.456 -18.569 8.860 1.00 0.00 H new ATOM 0 HG1 THR A 74 6.129 -17.069 10.541 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.891 -19.011 11.217 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.206 -20.518 10.324 1.00 0.00 H new ATOM 0 HG23 THR A 74 6.440 -19.862 11.426 1.00 0.00 H new ATOM 1099 N ALA A 75 6.616 -19.704 6.533 1.00 0.00 N ATOM 1100 CA ALA A 75 6.001 -20.283 5.357 1.00 0.00 C ATOM 1101 C ALA A 75 6.789 -19.910 4.115 1.00 0.00 C ATOM 1102 O ALA A 75 7.502 -18.905 4.101 1.00 0.00 O ATOM 1103 CB ALA A 75 4.558 -19.815 5.231 1.00 0.00 C ATOM 0 H ALA A 75 6.983 -18.762 6.395 1.00 0.00 H new ATOM 0 HA ALA A 75 6.005 -21.368 5.458 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.108 -20.258 4.343 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.997 -20.123 6.114 1.00 0.00 H new ATOM 0 HB3 ALA A 75 4.534 -18.729 5.146 1.00 0.00 H new ATOM 1109 N ASN A 76 6.668 -20.731 3.087 1.00 0.00 N ATOM 1110 CA ASN A 76 7.331 -20.478 1.816 1.00 0.00 C ATOM 1111 C ASN A 76 6.726 -19.254 1.134 1.00 0.00 C ATOM 1112 O ASN A 76 7.411 -18.525 0.416 1.00 0.00 O ATOM 1113 CB ASN A 76 7.203 -21.702 0.905 1.00 0.00 C ATOM 1114 CG ASN A 76 7.933 -21.539 -0.417 1.00 0.00 C ATOM 1115 OD1 ASN A 76 8.983 -20.902 -0.493 1.00 0.00 O ATOM 1116 ND2 ASN A 76 7.366 -22.102 -1.473 1.00 0.00 N ATOM 0 H ASN A 76 6.112 -21.586 3.107 1.00 0.00 H new ATOM 0 HA ASN A 76 8.387 -20.285 2.006 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.595 -22.577 1.424 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.148 -21.893 0.710 1.00 0.00 H new ATOM 0 HD21 ASN A 76 7.800 -22.016 -2.392 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.495 -22.622 -1.368 1.00 0.00 H new ATOM 1123 N SER A 77 5.439 -19.028 1.370 1.00 0.00 N ATOM 1124 CA SER A 77 4.738 -17.907 0.764 1.00 0.00 C ATOM 1125 C SER A 77 3.839 -17.213 1.782 1.00 0.00 C ATOM 1126 O SER A 77 3.142 -17.864 2.564 1.00 0.00 O ATOM 1127 CB SER A 77 3.911 -18.396 -0.426 1.00 0.00 C ATOM 1128 OG SER A 77 4.723 -19.121 -1.341 1.00 0.00 O ATOM 0 H SER A 77 4.861 -19.608 1.978 1.00 0.00 H new ATOM 0 HA SER A 77 5.476 -17.184 0.416 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.098 -19.030 -0.073 1.00 0.00 H new ATOM 0 HB3 SER A 77 3.455 -17.545 -0.932 1.00 0.00 H new ATOM 0 HG SER A 77 4.175 -19.426 -2.094 1.00 0.00 H new ATOM 1134 N TYR A 78 3.874 -15.891 1.775 1.00 0.00 N ATOM 1135 CA TYR A 78 3.046 -15.088 2.665 1.00 0.00 C ATOM 1136 C TYR A 78 2.001 -14.321 1.860 1.00 0.00 C ATOM 1137 O TYR A 78 2.261 -13.910 0.725 1.00 0.00 O ATOM 1138 CB TYR A 78 3.906 -14.102 3.457 1.00 0.00 C ATOM 1139 CG TYR A 78 4.768 -14.730 4.533 1.00 0.00 C ATOM 1140 CD1 TYR A 78 5.900 -15.469 4.213 1.00 0.00 C ATOM 1141 CD2 TYR A 78 4.458 -14.558 5.876 1.00 0.00 C ATOM 1142 CE1 TYR A 78 6.695 -16.017 5.200 1.00 0.00 C ATOM 1143 CE2 TYR A 78 5.245 -15.105 6.867 1.00 0.00 C ATOM 1144 CZ TYR A 78 6.363 -15.834 6.527 1.00 0.00 C ATOM 1145 OH TYR A 78 7.161 -16.368 7.516 1.00 0.00 O ATOM 0 H TYR A 78 4.473 -15.345 1.156 1.00 0.00 H new ATOM 0 HA TYR A 78 2.545 -15.758 3.363 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.552 -13.565 2.762 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.252 -13.363 3.920 1.00 0.00 H new ATOM 0 HD1 TYR A 78 6.162 -15.617 3.176 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.584 -13.985 6.149 1.00 0.00 H new ATOM 0 HE1 TYR A 78 7.573 -16.587 4.935 1.00 0.00 H new ATOM 0 HE2 TYR A 78 4.986 -14.962 7.906 1.00 0.00 H new ATOM 0 HH TYR A 78 6.621 -16.537 8.316 1.00 0.00 H new ATOM 1155 N THR A 79 0.832 -14.128 2.446 1.00 0.00 N ATOM 1156 CA THR A 79 -0.250 -13.430 1.771 1.00 0.00 C ATOM 1157 C THR A 79 -0.258 -11.954 2.159 1.00 0.00 C ATOM 1158 O THR A 79 -0.927 -11.555 3.111 1.00 0.00 O ATOM 1159 CB THR A 79 -1.616 -14.056 2.117 1.00 0.00 C ATOM 1160 OG1 THR A 79 -1.528 -15.486 2.049 1.00 0.00 O ATOM 1161 CG2 THR A 79 -2.700 -13.567 1.167 1.00 0.00 C ATOM 0 H THR A 79 0.607 -14.445 3.389 1.00 0.00 H new ATOM 0 HA THR A 79 -0.083 -13.522 0.698 1.00 0.00 H new ATOM 0 HB THR A 79 -1.882 -13.751 3.129 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.319 -15.844 2.937 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.652 -14.025 1.435 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.786 -12.483 1.240 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.440 -13.843 0.145 1.00 0.00 H new ATOM 1169 N LEU A 80 0.499 -11.148 1.433 1.00 0.00 N ATOM 1170 CA LEU A 80 0.619 -9.735 1.757 1.00 0.00 C ATOM 1171 C LEU A 80 -0.475 -8.922 1.089 1.00 0.00 C ATOM 1172 O LEU A 80 -0.597 -8.903 -0.132 1.00 0.00 O ATOM 1173 CB LEU A 80 1.993 -9.199 1.362 1.00 0.00 C ATOM 1174 CG LEU A 80 3.057 -9.272 2.461 1.00 0.00 C ATOM 1175 CD1 LEU A 80 3.267 -10.704 2.919 1.00 0.00 C ATOM 1176 CD2 LEU A 80 4.362 -8.672 1.972 1.00 0.00 C ATOM 0 H LEU A 80 1.037 -11.445 0.619 1.00 0.00 H new ATOM 0 HA LEU A 80 0.506 -9.636 2.837 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.348 -9.757 0.496 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.885 -8.160 1.050 1.00 0.00 H new ATOM 0 HG LEU A 80 2.706 -8.693 3.315 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.027 -10.729 3.700 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.331 -11.101 3.311 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.594 -11.312 2.075 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.109 -8.731 2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.713 -9.225 1.101 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.203 -7.629 1.700 1.00 0.00 H new ATOM 1188 N THR A 81 -1.268 -8.256 1.905 1.00 0.00 N ATOM 1189 CA THR A 81 -2.357 -7.439 1.415 1.00 0.00 C ATOM 1190 C THR A 81 -2.170 -5.987 1.837 1.00 0.00 C ATOM 1191 O THR A 81 -2.168 -5.668 3.024 1.00 0.00 O ATOM 1192 CB THR A 81 -3.714 -7.952 1.934 1.00 0.00 C ATOM 1193 OG1 THR A 81 -3.888 -9.324 1.554 1.00 0.00 O ATOM 1194 CG2 THR A 81 -4.863 -7.118 1.381 1.00 0.00 C ATOM 0 H THR A 81 -1.175 -8.266 2.921 1.00 0.00 H new ATOM 0 HA THR A 81 -2.351 -7.502 0.327 1.00 0.00 H new ATOM 0 HB THR A 81 -3.720 -7.866 3.021 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.446 -9.372 0.750 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.809 -7.502 1.764 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.741 -6.080 1.691 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.862 -7.174 0.292 1.00 0.00 H new ATOM 1202 N VAL A 82 -1.989 -5.117 0.860 1.00 0.00 N ATOM 1203 CA VAL A 82 -1.885 -3.693 1.125 1.00 0.00 C ATOM 1204 C VAL A 82 -3.269 -3.070 1.117 1.00 0.00 C ATOM 1205 O VAL A 82 -3.901 -2.965 0.065 1.00 0.00 O ATOM 1206 CB VAL A 82 -1.001 -2.979 0.081 1.00 0.00 C ATOM 1207 CG1 VAL A 82 -0.841 -1.506 0.428 1.00 0.00 C ATOM 1208 CG2 VAL A 82 0.357 -3.654 -0.029 1.00 0.00 C ATOM 0 H VAL A 82 -1.911 -5.371 -0.125 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.420 -3.571 2.103 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.496 -3.050 -0.887 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.214 -1.022 -0.321 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.820 -1.028 0.446 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.374 -1.412 1.408 1.00 0.00 H new ATOM 0 HG21 VAL A 82 0.963 -3.134 -0.771 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.859 -3.621 0.938 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.224 -4.692 -0.333 1.00 0.00 H new ATOM 1218 N ASN A 83 -3.759 -2.702 2.291 1.00 0.00 N ATOM 1219 CA ASN A 83 -5.047 -2.035 2.387 1.00 0.00 C ATOM 1220 C ASN A 83 -4.850 -0.536 2.492 1.00 0.00 C ATOM 1221 O ASN A 83 -4.249 -0.042 3.451 1.00 0.00 O ATOM 1222 CB ASN A 83 -5.849 -2.536 3.590 1.00 0.00 C ATOM 1223 CG ASN A 83 -7.195 -1.842 3.708 1.00 0.00 C ATOM 1224 OD1 ASN A 83 -8.185 -2.279 3.125 1.00 0.00 O ATOM 1225 ND2 ASN A 83 -7.242 -0.755 4.462 1.00 0.00 N ATOM 0 H ASN A 83 -3.288 -2.853 3.183 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.610 -2.267 1.483 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -6.003 -3.611 3.500 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.275 -2.371 4.502 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -8.121 -0.250 4.575 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -6.399 -0.422 4.930 1.00 0.00 H new ATOM 1232 N VAL A 84 -5.349 0.180 1.505 1.00 0.00 N ATOM 1233 CA VAL A 84 -5.227 1.623 1.475 1.00 0.00 C ATOM 1234 C VAL A 84 -6.356 2.283 2.263 1.00 0.00 C ATOM 1235 O VAL A 84 -7.517 2.255 1.853 1.00 0.00 O ATOM 1236 CB VAL A 84 -5.203 2.148 0.027 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -5.120 3.667 -0.001 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -4.033 1.535 -0.731 1.00 0.00 C ATOM 0 H VAL A 84 -5.846 -0.217 0.708 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.280 1.884 1.947 1.00 0.00 H new ATOM 0 HB VAL A 84 -6.132 1.854 -0.461 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.104 4.012 -1.035 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -5.986 4.088 0.509 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.209 3.991 0.503 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -4.024 1.912 -1.754 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.099 1.803 -0.237 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.137 0.450 -0.745 1.00 0.00 H new ATOM 1248 N ASP A 85 -5.978 2.842 3.407 1.00 0.00 N ATOM 1249 CA ASP A 85 -6.878 3.564 4.310 1.00 0.00 C ATOM 1250 C ASP A 85 -7.933 2.644 4.923 1.00 0.00 C ATOM 1251 O ASP A 85 -9.002 2.425 4.353 1.00 0.00 O ATOM 1252 CB ASP A 85 -7.544 4.759 3.617 1.00 0.00 C ATOM 1253 CG ASP A 85 -8.171 5.719 4.612 1.00 0.00 C ATOM 1254 OD1 ASP A 85 -8.256 5.374 5.812 1.00 0.00 O ATOM 1255 OD2 ASP A 85 -8.570 6.828 4.203 1.00 0.00 O ATOM 0 H ASP A 85 -5.016 2.807 3.744 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.258 3.947 5.120 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.803 5.290 3.019 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.309 4.399 2.930 1.00 0.00 H new ATOM 1260 N PRO A 86 -7.632 2.079 6.103 1.00 0.00 N ATOM 1261 CA PRO A 86 -8.580 1.274 6.863 1.00 0.00 C ATOM 1262 C PRO A 86 -9.405 2.128 7.821 1.00 0.00 C ATOM 1263 O PRO A 86 -10.173 1.616 8.633 1.00 0.00 O ATOM 1264 CB PRO A 86 -7.665 0.329 7.635 1.00 0.00 C ATOM 1265 CG PRO A 86 -6.413 1.113 7.875 1.00 0.00 C ATOM 1266 CD PRO A 86 -6.329 2.164 6.789 1.00 0.00 C ATOM 0 HA PRO A 86 -9.310 0.767 6.232 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -8.122 0.017 8.574 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -7.460 -0.577 7.064 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -6.433 1.579 8.860 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -5.540 0.461 7.848 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -6.163 3.157 7.207 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -5.505 1.965 6.104 1.00 0.00 H new ATOM 1274 N GLU A 87 -9.232 3.439 7.723 1.00 0.00 N ATOM 1275 CA GLU A 87 -9.921 4.371 8.598 1.00 0.00 C ATOM 1276 C GLU A 87 -10.959 5.169 7.813 1.00 0.00 C ATOM 1277 O GLU A 87 -11.766 5.897 8.396 1.00 0.00 O ATOM 1278 CB GLU A 87 -8.905 5.305 9.264 1.00 0.00 C ATOM 1279 CG GLU A 87 -7.941 4.580 10.195 1.00 0.00 C ATOM 1280 CD GLU A 87 -6.857 5.484 10.749 1.00 0.00 C ATOM 1281 OE1 GLU A 87 -7.160 6.640 11.105 1.00 0.00 O ATOM 1282 OE2 GLU A 87 -5.696 5.035 10.852 1.00 0.00 O ATOM 0 H GLU A 87 -8.616 3.881 7.041 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.442 3.812 9.375 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.335 5.821 8.491 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.440 6.069 9.829 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.502 4.146 11.023 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.477 3.754 9.656 1.00 0.00 H new ATOM 1289 N ASN A 88 -10.921 5.019 6.488 1.00 0.00 N ATOM 1290 CA ASN A 88 -11.856 5.692 5.585 1.00 0.00 C ATOM 1291 C ASN A 88 -11.815 7.202 5.773 1.00 0.00 C ATOM 1292 O ASN A 88 -12.840 7.844 6.005 1.00 0.00 O ATOM 1293 CB ASN A 88 -13.285 5.168 5.769 1.00 0.00 C ATOM 1294 CG ASN A 88 -13.533 3.858 5.041 1.00 0.00 C ATOM 1295 OD1 ASN A 88 -14.284 3.005 5.517 1.00 0.00 O ATOM 1296 ND2 ASN A 88 -12.925 3.692 3.873 1.00 0.00 N ATOM 0 H ASN A 88 -10.241 4.427 6.011 1.00 0.00 H new ATOM 0 HA ASN A 88 -11.541 5.467 4.566 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.482 5.030 6.832 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -13.990 5.917 5.409 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -13.073 2.836 3.338 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -12.310 4.420 3.510 1.00 0.00 H new ATOM 1303 N ALA A 89 -10.621 7.760 5.675 1.00 0.00 N ATOM 1304 CA ALA A 89 -10.440 9.196 5.758 1.00 0.00 C ATOM 1305 C ALA A 89 -10.568 9.806 4.371 1.00 0.00 C ATOM 1306 O ALA A 89 -11.086 10.913 4.205 1.00 0.00 O ATOM 1307 CB ALA A 89 -9.088 9.527 6.371 1.00 0.00 C ATOM 0 H ALA A 89 -9.758 7.235 5.537 1.00 0.00 H new ATOM 0 HA ALA A 89 -11.212 9.618 6.401 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.968 10.609 6.426 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.030 9.104 7.374 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.295 9.105 5.753 1.00 0.00 H new ATOM 1313 N VAL A 90 -10.094 9.066 3.377 1.00 0.00 N ATOM 1314 CA VAL A 90 -10.218 9.470 1.986 1.00 0.00 C ATOM 1315 C VAL A 90 -11.232 8.580 1.276 1.00 0.00 C ATOM 1316 O VAL A 90 -11.062 7.365 1.211 1.00 0.00 O ATOM 1317 CB VAL A 90 -8.862 9.387 1.249 1.00 0.00 C ATOM 1318 CG1 VAL A 90 -9.000 9.845 -0.195 1.00 0.00 C ATOM 1319 CG2 VAL A 90 -7.800 10.203 1.971 1.00 0.00 C ATOM 0 H VAL A 90 -9.616 8.175 3.512 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.555 10.506 1.970 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.546 8.344 1.247 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.032 9.777 -0.692 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -9.719 9.209 -0.711 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.348 10.878 -0.217 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.855 10.128 1.433 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.111 11.247 2.015 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -7.672 9.819 2.983 1.00 0.00 H new ATOM 1329 N ASN A 91 -12.293 9.187 0.757 1.00 0.00 N ATOM 1330 CA ASN A 91 -13.322 8.438 0.039 1.00 0.00 C ATOM 1331 C ASN A 91 -12.817 8.024 -1.333 1.00 0.00 C ATOM 1332 O ASN A 91 -12.382 8.862 -2.122 1.00 0.00 O ATOM 1333 CB ASN A 91 -14.610 9.255 -0.100 1.00 0.00 C ATOM 1334 CG ASN A 91 -15.362 9.380 1.209 1.00 0.00 C ATOM 1335 OD1 ASN A 91 -16.151 8.506 1.566 1.00 0.00 O ATOM 1336 ND2 ASN A 91 -15.141 10.473 1.926 1.00 0.00 N ATOM 0 H ASN A 91 -12.465 10.191 0.818 1.00 0.00 H new ATOM 0 HA ASN A 91 -13.548 7.544 0.620 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -14.367 10.250 -0.472 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -15.255 8.786 -0.843 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -15.633 10.612 2.808 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -14.479 11.175 1.595 1.00 0.00 H new ATOM 1343 N GLU A 92 -12.865 6.730 -1.599 1.00 0.00 N ATOM 1344 CA GLU A 92 -12.328 6.180 -2.833 1.00 0.00 C ATOM 1345 C GLU A 92 -13.413 6.008 -3.889 1.00 0.00 C ATOM 1346 O GLU A 92 -14.589 5.807 -3.565 1.00 0.00 O ATOM 1347 CB GLU A 92 -11.662 4.825 -2.584 1.00 0.00 C ATOM 1348 CG GLU A 92 -11.197 4.601 -1.146 1.00 0.00 C ATOM 1349 CD GLU A 92 -12.290 4.031 -0.250 1.00 0.00 C ATOM 1350 OE1 GLU A 92 -13.253 4.761 0.071 1.00 0.00 O ATOM 1351 OE2 GLU A 92 -12.193 2.846 0.132 1.00 0.00 O ATOM 0 H GLU A 92 -13.273 6.036 -0.973 1.00 0.00 H new ATOM 0 HA GLU A 92 -11.587 6.891 -3.198 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.363 4.035 -2.853 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -10.804 4.729 -3.249 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.344 3.922 -1.147 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -10.850 5.547 -0.730 1.00 0.00 H new ATOM 1358 N GLY A 93 -12.997 6.113 -5.145 1.00 0.00 N ATOM 1359 CA GLY A 93 -13.856 5.832 -6.281 1.00 0.00 C ATOM 1360 C GLY A 93 -14.420 4.421 -6.256 1.00 0.00 C ATOM 1361 O GLY A 93 -15.396 4.142 -5.559 1.00 0.00 O ATOM 0 H GLY A 93 -12.051 6.396 -5.402 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -14.678 6.547 -6.295 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.292 5.977 -7.202 1.00 0.00 H new ATOM 1365 N ASN A 94 -13.817 3.539 -7.047 1.00 0.00 N ATOM 1366 CA ASN A 94 -14.277 2.155 -7.160 1.00 0.00 C ATOM 1367 C ASN A 94 -14.097 1.420 -5.829 1.00 0.00 C ATOM 1368 O ASN A 94 -14.780 0.428 -5.561 1.00 0.00 O ATOM 1369 CB ASN A 94 -13.531 1.444 -8.296 1.00 0.00 C ATOM 1370 CG ASN A 94 -13.944 -0.008 -8.468 1.00 0.00 C ATOM 1371 OD1 ASN A 94 -14.938 -0.308 -9.131 1.00 0.00 O ATOM 1372 ND2 ASN A 94 -13.162 -0.920 -7.910 1.00 0.00 N ATOM 0 H ASN A 94 -13.004 3.758 -7.623 1.00 0.00 H new ATOM 0 HA ASN A 94 -15.341 2.152 -7.398 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -13.709 1.978 -9.229 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -12.459 1.489 -8.102 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -13.374 -1.911 -8.022 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -12.348 -0.631 -7.368 1.00 0.00 H new ATOM 1379 N GLU A 95 -13.160 1.914 -5.014 1.00 0.00 N ATOM 1380 CA GLU A 95 -13.017 1.502 -3.610 1.00 0.00 C ATOM 1381 C GLU A 95 -12.368 0.127 -3.445 1.00 0.00 C ATOM 1382 O GLU A 95 -11.289 0.016 -2.877 1.00 0.00 O ATOM 1383 CB GLU A 95 -14.376 1.518 -2.903 1.00 0.00 C ATOM 1384 CG GLU A 95 -14.315 1.064 -1.456 1.00 0.00 C ATOM 1385 CD GLU A 95 -15.683 0.826 -0.865 1.00 0.00 C ATOM 1386 OE1 GLU A 95 -16.273 1.779 -0.315 1.00 0.00 O ATOM 1387 OE2 GLU A 95 -16.177 -0.318 -0.947 1.00 0.00 O ATOM 0 H GLU A 95 -12.477 2.612 -5.308 1.00 0.00 H new ATOM 0 HA GLU A 95 -12.348 2.229 -3.149 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -14.784 2.528 -2.941 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -15.067 0.875 -3.448 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -13.730 0.146 -1.391 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -13.793 1.816 -0.865 1.00 0.00 H new ATOM 1394 N SER A 96 -13.024 -0.913 -3.951 1.00 0.00 N ATOM 1395 CA SER A 96 -12.613 -2.296 -3.696 1.00 0.00 C ATOM 1396 C SER A 96 -11.242 -2.625 -4.292 1.00 0.00 C ATOM 1397 O SER A 96 -10.702 -3.708 -4.074 1.00 0.00 O ATOM 1398 CB SER A 96 -13.673 -3.248 -4.240 1.00 0.00 C ATOM 1399 OG SER A 96 -14.937 -2.958 -3.665 1.00 0.00 O ATOM 0 H SER A 96 -13.849 -0.826 -4.545 1.00 0.00 H new ATOM 0 HA SER A 96 -12.519 -2.419 -2.617 1.00 0.00 H new ATOM 0 HB2 SER A 96 -13.730 -3.158 -5.325 1.00 0.00 H new ATOM 0 HB3 SER A 96 -13.394 -4.278 -4.020 1.00 0.00 H new ATOM 0 HG SER A 96 -15.609 -3.575 -4.024 1.00 0.00 H new ATOM 1405 N ASN A 97 -10.676 -1.681 -5.022 1.00 0.00 N ATOM 1406 CA ASN A 97 -9.359 -1.855 -5.616 1.00 0.00 C ATOM 1407 C ASN A 97 -8.280 -1.240 -4.731 1.00 0.00 C ATOM 1408 O ASN A 97 -7.131 -1.109 -5.145 1.00 0.00 O ATOM 1409 CB ASN A 97 -9.321 -1.221 -7.004 1.00 0.00 C ATOM 1410 CG ASN A 97 -9.716 0.242 -6.980 1.00 0.00 C ATOM 1411 OD1 ASN A 97 -10.898 0.573 -7.057 1.00 0.00 O ATOM 1412 ND2 ASN A 97 -8.739 1.121 -6.870 1.00 0.00 N ATOM 0 H ASN A 97 -11.110 -0.779 -5.220 1.00 0.00 H new ATOM 0 HA ASN A 97 -9.162 -2.923 -5.706 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -8.317 -1.317 -7.417 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -9.992 -1.765 -7.668 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -8.951 2.118 -6.846 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -7.772 0.803 -6.809 1.00 0.00 H new ATOM 1419 N ASN A 98 -8.654 -0.871 -3.509 1.00 0.00 N ATOM 1420 CA ASN A 98 -7.710 -0.288 -2.556 1.00 0.00 C ATOM 1421 C ASN A 98 -6.964 -1.385 -1.805 1.00 0.00 C ATOM 1422 O ASN A 98 -6.165 -1.108 -0.909 1.00 0.00 O ATOM 1423 CB ASN A 98 -8.433 0.623 -1.551 1.00 0.00 C ATOM 1424 CG ASN A 98 -9.244 -0.145 -0.515 1.00 0.00 C ATOM 1425 OD1 ASN A 98 -9.769 -1.230 -0.783 1.00 0.00 O ATOM 1426 ND2 ASN A 98 -9.349 0.414 0.682 1.00 0.00 N ATOM 0 H ASN A 98 -9.605 -0.965 -3.154 1.00 0.00 H new ATOM 0 HA ASN A 98 -6.996 0.311 -3.120 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -7.697 1.243 -1.039 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -9.096 1.297 -2.094 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -9.877 -0.054 1.419 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -8.901 1.312 0.867 1.00 0.00 H new ATOM 1433 N THR A 99 -7.236 -2.628 -2.170 1.00 0.00 N ATOM 1434 CA THR A 99 -6.620 -3.765 -1.518 1.00 0.00 C ATOM 1435 C THR A 99 -5.803 -4.598 -2.498 1.00 0.00 C ATOM 1436 O THR A 99 -6.332 -5.144 -3.468 1.00 0.00 O ATOM 1437 CB THR A 99 -7.678 -4.652 -0.846 1.00 0.00 C ATOM 1438 OG1 THR A 99 -8.908 -4.585 -1.583 1.00 0.00 O ATOM 1439 CG2 THR A 99 -7.918 -4.224 0.591 1.00 0.00 C ATOM 0 H THR A 99 -7.884 -2.872 -2.919 1.00 0.00 H new ATOM 0 HA THR A 99 -5.948 -3.371 -0.756 1.00 0.00 H new ATOM 0 HB THR A 99 -7.309 -5.678 -0.841 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.579 -5.154 -1.151 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.672 -4.870 1.042 1.00 0.00 H new ATOM 0 HG22 THR A 99 -6.988 -4.303 1.154 1.00 0.00 H new ATOM 0 HG23 THR A 99 -8.267 -3.191 0.610 1.00 0.00 H new ATOM 1447 N LEU A 100 -4.510 -4.685 -2.236 1.00 0.00 N ATOM 1448 CA LEU A 100 -3.610 -5.471 -3.066 1.00 0.00 C ATOM 1449 C LEU A 100 -3.169 -6.721 -2.325 1.00 0.00 C ATOM 1450 O LEU A 100 -2.286 -6.664 -1.471 1.00 0.00 O ATOM 1451 CB LEU A 100 -2.379 -4.652 -3.459 1.00 0.00 C ATOM 1452 CG LEU A 100 -1.308 -5.412 -4.248 1.00 0.00 C ATOM 1453 CD1 LEU A 100 -1.753 -5.651 -5.682 1.00 0.00 C ATOM 1454 CD2 LEU A 100 0.004 -4.653 -4.218 1.00 0.00 C ATOM 0 H LEU A 100 -4.057 -4.218 -1.450 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.148 -5.756 -3.970 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -2.706 -3.798 -4.053 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.924 -4.254 -2.552 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.162 -6.383 -3.775 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.974 -6.192 -6.219 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.671 -6.239 -5.685 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -1.933 -4.694 -6.171 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.756 -5.204 -4.782 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.135 -3.668 -4.664 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.335 -4.540 -3.186 1.00 0.00 H new ATOM 1466 N THR A 101 -3.803 -7.834 -2.629 1.00 0.00 N ATOM 1467 CA THR A 101 -3.406 -9.110 -2.064 1.00 0.00 C ATOM 1468 C THR A 101 -2.411 -9.795 -2.991 1.00 0.00 C ATOM 1469 O THR A 101 -2.789 -10.411 -3.988 1.00 0.00 O ATOM 1470 CB THR A 101 -4.625 -10.027 -1.816 1.00 0.00 C ATOM 1471 OG1 THR A 101 -5.508 -9.415 -0.867 1.00 0.00 O ATOM 1472 CG2 THR A 101 -4.191 -11.392 -1.295 1.00 0.00 C ATOM 0 H THR A 101 -4.598 -7.883 -3.266 1.00 0.00 H new ATOM 0 HA THR A 101 -2.935 -8.921 -1.099 1.00 0.00 H new ATOM 0 HB THR A 101 -5.140 -10.167 -2.766 1.00 0.00 H new ATOM 0 HG1 THR A 101 -6.280 -9.999 -0.714 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.070 -12.015 -1.130 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.540 -11.870 -2.026 1.00 0.00 H new ATOM 0 HG23 THR A 101 -3.652 -11.268 -0.355 1.00 0.00 H new ATOM 1480 N ALA A 102 -1.137 -9.651 -2.675 1.00 0.00 N ATOM 1481 CA ALA A 102 -0.080 -10.211 -3.492 1.00 0.00 C ATOM 1482 C ALA A 102 0.667 -11.287 -2.724 1.00 0.00 C ATOM 1483 O ALA A 102 1.125 -11.063 -1.603 1.00 0.00 O ATOM 1484 CB ALA A 102 0.875 -9.118 -3.948 1.00 0.00 C ATOM 0 H ALA A 102 -0.809 -9.147 -1.851 1.00 0.00 H new ATOM 0 HA ALA A 102 -0.528 -10.666 -4.376 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.663 -9.556 -4.561 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.329 -8.378 -4.533 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.318 -8.636 -3.077 1.00 0.00 H new ATOM 1490 N LEU A 103 0.765 -12.462 -3.319 1.00 0.00 N ATOM 1491 CA LEU A 103 1.497 -13.553 -2.710 1.00 0.00 C ATOM 1492 C LEU A 103 2.985 -13.374 -2.914 1.00 0.00 C ATOM 1493 O LEU A 103 3.483 -13.396 -4.043 1.00 0.00 O ATOM 1494 CB LEU A 103 1.054 -14.898 -3.276 1.00 0.00 C ATOM 1495 CG LEU A 103 -0.320 -15.369 -2.817 1.00 0.00 C ATOM 1496 CD1 LEU A 103 -0.645 -16.708 -3.443 1.00 0.00 C ATOM 1497 CD2 LEU A 103 -0.371 -15.466 -1.299 1.00 0.00 C ATOM 0 H LEU A 103 0.347 -12.683 -4.223 1.00 0.00 H new ATOM 0 HA LEU A 103 1.281 -13.541 -1.642 1.00 0.00 H new ATOM 0 HB2 LEU A 103 1.055 -14.835 -4.364 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.791 -15.652 -2.999 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.065 -14.641 -3.139 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.629 -17.037 -3.109 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -0.644 -16.612 -4.529 1.00 0.00 H new ATOM 0 HD13 LEU A 103 0.104 -17.441 -3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -1.360 -15.804 -0.989 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.380 -16.177 -0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.170 -14.487 -0.865 1.00 0.00 H new ATOM 1509 N VAL A 104 3.684 -13.198 -1.818 1.00 0.00 N ATOM 1510 CA VAL A 104 5.124 -13.050 -1.856 1.00 0.00 C ATOM 1511 C VAL A 104 5.766 -14.325 -1.339 1.00 0.00 C ATOM 1512 O VAL A 104 5.228 -14.981 -0.444 1.00 0.00 O ATOM 1513 CB VAL A 104 5.616 -11.834 -1.034 1.00 0.00 C ATOM 1514 CG1 VAL A 104 4.967 -10.550 -1.528 1.00 0.00 C ATOM 1515 CG2 VAL A 104 5.348 -12.027 0.448 1.00 0.00 C ATOM 0 H VAL A 104 3.279 -13.153 -0.883 1.00 0.00 H new ATOM 0 HA VAL A 104 5.416 -12.870 -2.890 1.00 0.00 H new ATOM 0 HB VAL A 104 6.694 -11.754 -1.175 1.00 0.00 H new ATOM 0 HG11 VAL A 104 5.328 -9.709 -0.936 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.223 -10.393 -2.576 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.884 -10.627 -1.427 1.00 0.00 H new ATOM 0 HG21 VAL A 104 5.705 -11.157 0.999 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.277 -12.146 0.612 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.870 -12.917 0.799 1.00 0.00 H new ATOM 1525 N GLY A 105 6.890 -14.691 -1.909 1.00 0.00 N ATOM 1526 CA GLY A 105 7.530 -15.916 -1.515 1.00 0.00 C ATOM 1527 C GLY A 105 8.898 -15.660 -0.957 1.00 0.00 C ATOM 1528 O GLY A 105 9.405 -14.542 -1.032 1.00 0.00 O ATOM 0 H GLY A 105 7.372 -14.164 -2.637 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.920 -16.424 -0.769 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.604 -16.583 -2.374 1.00 0.00 H new ATOM 1532 N THR A 106 9.491 -16.676 -0.379 1.00 0.00 N ATOM 1533 CA THR A 106 10.857 -16.578 0.065 1.00 0.00 C ATOM 1534 C THR A 106 11.776 -16.696 -1.141 1.00 0.00 C ATOM 1535 O THR A 106 11.605 -17.595 -1.970 1.00 0.00 O ATOM 1536 CB THR A 106 11.191 -17.658 1.106 1.00 0.00 C ATOM 1537 OG1 THR A 106 10.876 -18.959 0.589 1.00 0.00 O ATOM 1538 CG2 THR A 106 10.413 -17.421 2.392 1.00 0.00 C ATOM 0 H THR A 106 9.049 -17.579 -0.206 1.00 0.00 H new ATOM 0 HA THR A 106 11.002 -15.612 0.548 1.00 0.00 H new ATOM 0 HB THR A 106 12.258 -17.604 1.323 1.00 0.00 H new ATOM 0 HG1 THR A 106 11.094 -19.639 1.260 1.00 0.00 H new ATOM 0 HG21 THR A 106 10.663 -18.196 3.117 1.00 0.00 H new ATOM 0 HG22 THR A 106 10.674 -16.445 2.800 1.00 0.00 H new ATOM 0 HG23 THR A 106 9.344 -17.452 2.182 1.00 0.00 H new ATOM 1546 N LEU A 107 12.708 -15.763 -1.263 1.00 0.00 N ATOM 1547 CA LEU A 107 13.605 -15.728 -2.407 1.00 0.00 C ATOM 1548 C LEU A 107 14.358 -17.044 -2.524 1.00 0.00 C ATOM 1549 O LEU A 107 14.952 -17.519 -1.554 1.00 0.00 O ATOM 1550 CB LEU A 107 14.585 -14.552 -2.287 1.00 0.00 C ATOM 1551 CG LEU A 107 15.503 -14.333 -3.496 1.00 0.00 C ATOM 1552 CD1 LEU A 107 14.687 -14.075 -4.754 1.00 0.00 C ATOM 1553 CD2 LEU A 107 16.456 -13.175 -3.237 1.00 0.00 C ATOM 0 H LEU A 107 12.863 -15.019 -0.582 1.00 0.00 H new ATOM 0 HA LEU A 107 13.012 -15.586 -3.311 1.00 0.00 H new ATOM 0 HB2 LEU A 107 14.012 -13.640 -2.117 1.00 0.00 H new ATOM 0 HB3 LEU A 107 15.206 -14.707 -1.405 1.00 0.00 H new ATOM 0 HG LEU A 107 16.089 -15.240 -3.648 1.00 0.00 H new ATOM 0 HD11 LEU A 107 15.359 -13.922 -5.599 1.00 0.00 H new ATOM 0 HD12 LEU A 107 14.043 -14.932 -4.952 1.00 0.00 H new ATOM 0 HD13 LEU A 107 14.073 -13.185 -4.613 1.00 0.00 H new ATOM 0 HD21 LEU A 107 17.100 -13.033 -4.105 1.00 0.00 H new ATOM 0 HD22 LEU A 107 15.883 -12.265 -3.058 1.00 0.00 H new ATOM 0 HD23 LEU A 107 17.068 -13.396 -2.363 1.00 0.00 H new ATOM 1565 N GLU A 108 14.333 -17.628 -3.715 1.00 0.00 N ATOM 1566 CA GLU A 108 14.958 -18.922 -3.946 1.00 0.00 C ATOM 1567 C GLU A 108 16.466 -18.770 -4.148 1.00 0.00 C ATOM 1568 O GLU A 108 17.165 -19.716 -4.518 1.00 0.00 O ATOM 1569 CB GLU A 108 14.296 -19.660 -5.125 1.00 0.00 C ATOM 1570 CG GLU A 108 13.667 -18.759 -6.185 1.00 0.00 C ATOM 1571 CD GLU A 108 14.682 -17.972 -6.984 1.00 0.00 C ATOM 1572 OE1 GLU A 108 15.213 -16.969 -6.469 1.00 0.00 O ATOM 1573 OE2 GLU A 108 14.959 -18.355 -8.138 1.00 0.00 O ATOM 0 H GLU A 108 13.885 -17.224 -4.538 1.00 0.00 H new ATOM 0 HA GLU A 108 14.805 -19.535 -3.057 1.00 0.00 H new ATOM 0 HB2 GLU A 108 15.045 -20.290 -5.605 1.00 0.00 H new ATOM 0 HB3 GLU A 108 13.526 -20.323 -4.731 1.00 0.00 H new ATOM 0 HG2 GLU A 108 13.075 -19.370 -6.866 1.00 0.00 H new ATOM 0 HG3 GLU A 108 12.980 -18.065 -5.700 1.00 0.00 H new ATOM 1580 N HIS A 109 16.945 -17.562 -3.896 1.00 0.00 N ATOM 1581 CA HIS A 109 18.366 -17.257 -3.875 1.00 0.00 C ATOM 1582 C HIS A 109 18.653 -16.379 -2.667 1.00 0.00 C ATOM 1583 O HIS A 109 17.728 -15.964 -1.973 1.00 0.00 O ATOM 1584 CB HIS A 109 18.798 -16.553 -5.166 1.00 0.00 C ATOM 1585 CG HIS A 109 18.810 -17.451 -6.365 1.00 0.00 C ATOM 1586 ND1 HIS A 109 17.720 -17.618 -7.188 1.00 0.00 N ATOM 1587 CD2 HIS A 109 19.789 -18.235 -6.878 1.00 0.00 C ATOM 1588 CE1 HIS A 109 18.025 -18.461 -8.156 1.00 0.00 C ATOM 1589 NE2 HIS A 109 19.274 -18.849 -7.990 1.00 0.00 N ATOM 0 H HIS A 109 16.351 -16.757 -3.698 1.00 0.00 H new ATOM 0 HA HIS A 109 18.935 -18.184 -3.805 1.00 0.00 H new ATOM 0 HB2 HIS A 109 18.126 -15.716 -5.356 1.00 0.00 H new ATOM 0 HB3 HIS A 109 19.795 -16.135 -5.026 1.00 0.00 H new ATOM 0 HD1 HIS A 109 16.816 -17.161 -7.068 1.00 0.00 H new ATOM 0 HD2 HIS A 109 20.788 -18.354 -6.484 1.00 0.00 H new ATOM 0 HE1 HIS A 109 17.364 -18.779 -8.949 1.00 0.00 H new ATOM 1598 N HIS A 110 19.914 -16.094 -2.401 1.00 0.00 N ATOM 1599 CA HIS A 110 20.265 -15.300 -1.231 1.00 0.00 C ATOM 1600 C HIS A 110 21.070 -14.066 -1.617 1.00 0.00 C ATOM 1601 O HIS A 110 21.741 -13.460 -0.783 1.00 0.00 O ATOM 1602 CB HIS A 110 21.023 -16.151 -0.210 1.00 0.00 C ATOM 1603 CG HIS A 110 20.160 -17.194 0.434 1.00 0.00 C ATOM 1604 ND1 HIS A 110 20.352 -18.549 0.262 1.00 0.00 N ATOM 1605 CD2 HIS A 110 19.082 -17.071 1.244 1.00 0.00 C ATOM 1606 CE1 HIS A 110 19.426 -19.210 0.932 1.00 0.00 C ATOM 1607 NE2 HIS A 110 18.644 -18.338 1.537 1.00 0.00 N ATOM 0 H HIS A 110 20.706 -16.394 -2.969 1.00 0.00 H new ATOM 0 HA HIS A 110 19.339 -14.956 -0.771 1.00 0.00 H new ATOM 0 HB2 HIS A 110 21.865 -16.637 -0.703 1.00 0.00 H new ATOM 0 HB3 HIS A 110 21.437 -15.502 0.562 1.00 0.00 H new ATOM 0 HD2 HIS A 110 18.647 -16.147 1.595 1.00 0.00 H new ATOM 0 HE1 HIS A 110 19.326 -20.284 0.977 1.00 0.00 H new ATOM 0 HE2 HIS A 110 17.844 -18.568 2.127 1.00 0.00 H new ATOM 1616 N HIS A 111 20.986 -13.691 -2.883 1.00 0.00 N ATOM 1617 CA HIS A 111 21.600 -12.459 -3.355 1.00 0.00 C ATOM 1618 C HIS A 111 20.561 -11.595 -4.051 1.00 0.00 C ATOM 1619 O HIS A 111 20.280 -11.772 -5.236 1.00 0.00 O ATOM 1620 CB HIS A 111 22.774 -12.740 -4.298 1.00 0.00 C ATOM 1621 CG HIS A 111 23.979 -13.302 -3.611 1.00 0.00 C ATOM 1622 ND1 HIS A 111 24.839 -12.539 -2.851 1.00 0.00 N ATOM 1623 CD2 HIS A 111 24.468 -14.562 -3.572 1.00 0.00 C ATOM 1624 CE1 HIS A 111 25.805 -13.303 -2.379 1.00 0.00 C ATOM 1625 NE2 HIS A 111 25.602 -14.537 -2.801 1.00 0.00 N ATOM 0 H HIS A 111 20.498 -14.223 -3.604 1.00 0.00 H new ATOM 0 HA HIS A 111 21.992 -11.925 -2.489 1.00 0.00 H new ATOM 0 HB2 HIS A 111 22.449 -13.438 -5.070 1.00 0.00 H new ATOM 0 HB3 HIS A 111 23.053 -11.814 -4.802 1.00 0.00 H new ATOM 0 HD2 HIS A 111 24.044 -15.428 -4.058 1.00 0.00 H new ATOM 0 HE1 HIS A 111 26.622 -12.975 -1.754 1.00 0.00 H new ATOM 0 HE2 HIS A 111 26.192 -15.341 -2.588 1.00 0.00 H new ATOM 1634 N HIS A 112 19.963 -10.685 -3.299 1.00 0.00 N ATOM 1635 CA HIS A 112 18.956 -9.791 -3.848 1.00 0.00 C ATOM 1636 C HIS A 112 19.623 -8.518 -4.348 1.00 0.00 C ATOM 1637 O HIS A 112 19.735 -7.532 -3.618 1.00 0.00 O ATOM 1638 CB HIS A 112 17.890 -9.462 -2.792 1.00 0.00 C ATOM 1639 CG HIS A 112 16.678 -8.770 -3.344 1.00 0.00 C ATOM 1640 ND1 HIS A 112 16.514 -7.401 -3.329 1.00 0.00 N ATOM 1641 CD2 HIS A 112 15.559 -9.270 -3.922 1.00 0.00 C ATOM 1642 CE1 HIS A 112 15.353 -7.093 -3.872 1.00 0.00 C ATOM 1643 NE2 HIS A 112 14.753 -8.208 -4.242 1.00 0.00 N ATOM 0 H HIS A 112 20.157 -10.546 -2.307 1.00 0.00 H new ATOM 0 HA HIS A 112 18.460 -10.286 -4.683 1.00 0.00 H new ATOM 0 HB2 HIS A 112 17.578 -10.386 -2.305 1.00 0.00 H new ATOM 0 HB3 HIS A 112 18.337 -8.832 -2.023 1.00 0.00 H new ATOM 0 HD2 HIS A 112 15.342 -10.313 -4.098 1.00 0.00 H new ATOM 0 HE1 HIS A 112 14.959 -6.095 -3.994 1.00 0.00 H new ATOM 0 HE2 HIS A 112 13.840 -8.270 -4.692 1.00 0.00 H new ATOM 1652 N HIS A 113 20.093 -8.554 -5.587 1.00 0.00 N ATOM 1653 CA HIS A 113 20.813 -7.427 -6.161 1.00 0.00 C ATOM 1654 C HIS A 113 19.882 -6.584 -7.023 1.00 0.00 C ATOM 1655 O HIS A 113 19.216 -7.099 -7.922 1.00 0.00 O ATOM 1656 CB HIS A 113 22.002 -7.923 -6.994 1.00 0.00 C ATOM 1657 CG HIS A 113 22.995 -6.850 -7.328 1.00 0.00 C ATOM 1658 ND1 HIS A 113 24.107 -6.597 -6.560 1.00 0.00 N ATOM 1659 CD2 HIS A 113 23.040 -5.961 -8.349 1.00 0.00 C ATOM 1660 CE1 HIS A 113 24.793 -5.603 -7.090 1.00 0.00 C ATOM 1661 NE2 HIS A 113 24.167 -5.196 -8.179 1.00 0.00 N ATOM 0 H HIS A 113 19.988 -9.352 -6.214 1.00 0.00 H new ATOM 0 HA HIS A 113 21.190 -6.807 -5.347 1.00 0.00 H new ATOM 0 HB2 HIS A 113 22.510 -8.718 -6.448 1.00 0.00 H new ATOM 0 HB3 HIS A 113 21.628 -8.360 -7.920 1.00 0.00 H new ATOM 0 HD2 HIS A 113 22.321 -5.871 -9.150 1.00 0.00 H new ATOM 0 HE1 HIS A 113 25.712 -5.191 -6.699 1.00 0.00 H new ATOM 0 HE2 HIS A 113 24.470 -4.439 -8.792 1.00 0.00 H new ATOM 1670 N HIS A 114 19.835 -5.295 -6.732 1.00 0.00 N ATOM 1671 CA HIS A 114 19.021 -4.362 -7.495 1.00 0.00 C ATOM 1672 C HIS A 114 19.674 -2.986 -7.477 1.00 0.00 C ATOM 1673 O HIS A 114 20.509 -2.712 -8.360 1.00 0.00 O ATOM 1674 CB HIS A 114 17.599 -4.300 -6.918 1.00 0.00 C ATOM 1675 CG HIS A 114 16.690 -3.327 -7.610 1.00 0.00 C ATOM 1676 ND1 HIS A 114 16.111 -3.574 -8.836 1.00 0.00 N ATOM 1677 CD2 HIS A 114 16.249 -2.105 -7.230 1.00 0.00 C ATOM 1678 CE1 HIS A 114 15.358 -2.546 -9.177 1.00 0.00 C ATOM 1679 NE2 HIS A 114 15.420 -1.640 -8.220 1.00 0.00 N ATOM 1680 OXT HIS A 114 19.371 -2.196 -6.564 1.00 0.00 O ATOM 0 H HIS A 114 20.356 -4.867 -5.966 1.00 0.00 H new ATOM 0 HA HIS A 114 18.950 -4.704 -8.527 1.00 0.00 H new ATOM 0 HB2 HIS A 114 17.155 -5.294 -6.971 1.00 0.00 H new ATOM 0 HB3 HIS A 114 17.660 -4.034 -5.863 1.00 0.00 H new ATOM 0 HD2 HIS A 114 16.503 -1.590 -6.315 1.00 0.00 H new ATOM 0 HE1 HIS A 114 14.785 -2.460 -10.089 1.00 0.00 H new ATOM 0 HE2 HIS A 114 14.933 -0.744 -8.216 1.00 0.00 H new TER 1689 HIS A 114