USER MOD reduce.3.24.130724 H: found=0, std=0, add=1072, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 1070 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 123 HIS : no HE2:sc= -3.71! C(o=-3.2!,f=-7.6!) USER MOD Set 1.2: A 124 LYS NZ :NH3+ -110:sc= 0.477 (180deg=-0.0207) USER MOD Single : A 1 SER N :NH3+ -122:sc= -3.91! (180deg=-9.35!) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl -132:sc= -0.631 (180deg=-1.75!) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN :FLIP amide:sc= -1.4 F(o=-4!,f=-1.4) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.498 K(o=-0.5,f=-2.1!) USER MOD Single : A 11 ASN : amide:sc= -3.13 K(o=-3.1,f=-9.5!) USER MOD Single : A 14 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.022) USER MOD Single : A 16 MET CE :methyl -160:sc= -0.521 (180deg=-1.37) USER MOD Single : A 18 GLN : amide:sc= -0.0591 K(o=-0.059,f=-1.4!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 46:sc= 0.57 USER MOD Single : A 28 SER OG : rot 180:sc= -0.953 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -3.02! C(o=-3!,f=-5.6!) USER MOD Single : A 38 LYS NZ :NH3+ -169:sc= 1.27 (180deg=1.09) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 161:sc= -1.76 (180deg=-3.02!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN :FLIP amide:sc= -0.645 F(o=-2.8!,f=-0.64) USER MOD Single : A 69 HIS : no HD1:sc= -5.51! C(o=-5.5!,f=-6.5!) USER MOD Single : A 70 HIS : no HE2:sc= -2.86! X(o=-2.9!,f=-2.4) USER MOD Single : A 72 ASN :FLIP amide:sc= -0.0767 F(o=-0.64,f=-0.077) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 MET CE :methyl -115:sc= -13.1! (180deg=-23.6!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HE2:sc= -1.17 K(o=-1.2,f=-4!) USER MOD Single : A 85 THR OG1 : rot 180:sc= -2.41 USER MOD Single : A 86 MET CE :methyl -108:sc= -5.14! (180deg=-9.96!) USER MOD Single : A 88 GLN :FLIP amide:sc= -0.0482 F(o=-3.7!,f=-0.048) USER MOD Single : A 89 GLN : amide:sc= -0.837 K(o=-0.84,f=-2.5) USER MOD Single : A 95 HIS : no HD1:sc= -4.65! C(o=-4.7!,f=-5.7!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -120:sc= -2.68! USER MOD Single : A 104 ASN : amide:sc= -3.7 K(o=-3.7,f=-7.3!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 141:sc= -2.74 (180deg=-3.65!) USER MOD Single : A 111 THR OG1 : rot -150:sc= -1.13 USER MOD Single : A 116 MET CE :methyl -127:sc= 0 (180deg=-1.53) USER MOD Single : A 119 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0665) USER MOD Single : A 120 LYS NZ :NH3+ -171:sc= -0.194 (180deg=-0.467) USER MOD Single : A 126 ASN :FLIP amide:sc= -0.301 F(o=-1.6,f=-0.3) USER MOD Single : A 130 ASN : amide:sc=-0.00605 X(o=-0.006,f=-0.13) USER MOD Single : A 131 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -10.393 -10.404 -14.200 1.00 0.00 N ATOM 2 CA SER A 1 -10.459 -11.770 -13.711 1.00 0.00 C ATOM 3 C SER A 1 -9.773 -11.870 -12.347 1.00 0.00 C ATOM 4 O SER A 1 -10.360 -12.374 -11.389 1.00 0.00 O ATOM 5 CB SER A 1 -9.814 -12.741 -14.702 1.00 0.00 C ATOM 6 OG SER A 1 -10.769 -13.623 -15.284 1.00 0.00 O ATOM 0 H1 SER A 1 -11.356 -10.049 -14.370 1.00 0.00 H new ATOM 0 H2 SER A 1 -9.923 -9.804 -13.492 1.00 0.00 H new ATOM 0 H3 SER A 1 -9.853 -10.379 -15.088 1.00 0.00 H new ATOM 0 HA SER A 1 -11.508 -12.046 -13.604 1.00 0.00 H new ATOM 0 HB2 SER A 1 -9.315 -12.177 -15.490 1.00 0.00 H new ATOM 0 HB3 SER A 1 -9.047 -13.323 -14.192 1.00 0.00 H new ATOM 0 HG SER A 1 -10.318 -14.225 -15.912 1.00 0.00 H new ATOM 12 N PRO A 2 -8.510 -11.370 -12.300 1.00 0.00 N ATOM 13 CA PRO A 2 -7.740 -11.398 -11.068 1.00 0.00 C ATOM 14 C PRO A 2 -8.235 -10.334 -10.087 1.00 0.00 C ATOM 15 O PRO A 2 -9.309 -9.765 -10.272 1.00 0.00 O ATOM 16 CB PRO A 2 -6.298 -11.181 -11.501 1.00 0.00 C ATOM 17 CG PRO A 2 -6.368 -10.579 -12.894 1.00 0.00 C ATOM 18 CD PRO A 2 -7.785 -10.765 -13.413 1.00 0.00 C ATOM 0 HA PRO A 2 -7.844 -12.340 -10.529 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -5.780 -10.514 -10.813 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -5.747 -12.121 -11.509 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -6.108 -9.521 -12.866 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -5.652 -11.066 -13.556 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.229 -9.813 -13.704 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -7.803 -11.407 -14.294 1.00 0.00 H new ATOM 26 N GLU A 3 -7.427 -10.096 -9.063 1.00 0.00 N ATOM 27 CA GLU A 3 -7.770 -9.111 -8.052 1.00 0.00 C ATOM 28 C GLU A 3 -8.037 -7.753 -8.703 1.00 0.00 C ATOM 29 O GLU A 3 -8.764 -6.929 -8.152 1.00 0.00 O ATOM 30 CB GLU A 3 -6.668 -9.005 -6.995 1.00 0.00 C ATOM 31 CG GLU A 3 -6.426 -10.355 -6.318 1.00 0.00 C ATOM 32 CD GLU A 3 -7.675 -10.824 -5.567 1.00 0.00 C ATOM 33 OE1 GLU A 3 -8.622 -11.256 -6.257 1.00 0.00 O ATOM 34 OE2 GLU A 3 -7.652 -10.739 -4.320 1.00 0.00 O ATOM 0 H GLU A 3 -6.536 -10.569 -8.913 1.00 0.00 H new ATOM 0 HA GLU A 3 -8.681 -9.436 -7.550 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -5.746 -8.657 -7.460 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -6.947 -8.264 -6.246 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -6.148 -11.097 -7.067 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -5.589 -10.273 -5.624 1.00 0.00 H new ATOM 41 N ILE A 4 -7.435 -7.563 -9.869 1.00 0.00 N ATOM 42 CA ILE A 4 -7.599 -6.319 -10.600 1.00 0.00 C ATOM 43 C ILE A 4 -9.091 -6.035 -10.788 1.00 0.00 C ATOM 44 O ILE A 4 -9.527 -4.890 -10.677 1.00 0.00 O ATOM 45 CB ILE A 4 -6.812 -6.361 -11.913 1.00 0.00 C ATOM 46 CG1 ILE A 4 -5.435 -6.995 -11.706 1.00 0.00 C ATOM 47 CG2 ILE A 4 -6.714 -4.969 -12.539 1.00 0.00 C ATOM 48 CD1 ILE A 4 -4.765 -6.452 -10.441 1.00 0.00 C ATOM 0 H ILE A 4 -6.834 -8.250 -10.324 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.184 -5.487 -10.032 1.00 0.00 H new ATOM 0 HB ILE A 4 -7.355 -6.992 -12.617 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -5.537 -8.078 -11.632 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.804 -6.793 -12.571 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.150 -5.028 -13.470 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -7.716 -4.591 -12.744 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -6.206 -4.295 -11.849 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.788 -6.919 -10.318 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.643 -5.372 -10.529 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -5.387 -6.677 -9.575 1.00 0.00 H new ATOM 60 N MET A 5 -9.832 -7.096 -11.068 1.00 0.00 N ATOM 61 CA MET A 5 -11.266 -6.975 -11.271 1.00 0.00 C ATOM 62 C MET A 5 -12.029 -7.257 -9.974 1.00 0.00 C ATOM 63 O MET A 5 -13.227 -6.994 -9.887 1.00 0.00 O ATOM 64 CB MET A 5 -11.714 -7.962 -12.351 1.00 0.00 C ATOM 65 CG MET A 5 -12.751 -7.326 -13.279 1.00 0.00 C ATOM 66 SD MET A 5 -12.484 -7.869 -14.957 1.00 0.00 S ATOM 67 CE MET A 5 -10.844 -7.223 -15.237 1.00 0.00 C ATOM 0 H MET A 5 -9.467 -8.044 -11.159 1.00 0.00 H new ATOM 0 HA MET A 5 -11.485 -5.954 -11.585 1.00 0.00 H new ATOM 0 HB2 MET A 5 -10.851 -8.287 -12.932 1.00 0.00 H new ATOM 0 HB3 MET A 5 -12.136 -8.851 -11.883 1.00 0.00 H new ATOM 0 HG2 MET A 5 -13.756 -7.598 -12.956 1.00 0.00 H new ATOM 0 HG3 MET A 5 -12.682 -6.240 -13.224 1.00 0.00 H new ATOM 0 HE1 MET A 5 -10.819 -6.696 -16.191 1.00 0.00 H new ATOM 0 HE2 MET A 5 -10.583 -6.534 -14.434 1.00 0.00 H new ATOM 0 HE3 MET A 5 -10.128 -8.045 -15.257 1.00 0.00 H new ATOM 77 N LYS A 6 -11.303 -7.787 -9.001 1.00 0.00 N ATOM 78 CA LYS A 6 -11.896 -8.108 -7.714 1.00 0.00 C ATOM 79 C LYS A 6 -11.366 -7.134 -6.658 1.00 0.00 C ATOM 80 O LYS A 6 -10.219 -7.244 -6.228 1.00 0.00 O ATOM 81 CB LYS A 6 -11.663 -9.579 -7.367 1.00 0.00 C ATOM 82 CG LYS A 6 -12.919 -10.206 -6.763 1.00 0.00 C ATOM 83 CD LYS A 6 -12.752 -11.718 -6.594 1.00 0.00 C ATOM 84 CE LYS A 6 -13.910 -12.311 -5.790 1.00 0.00 C ATOM 85 NZ LYS A 6 -13.430 -13.414 -4.928 1.00 0.00 N ATOM 0 H LYS A 6 -10.309 -8.002 -9.078 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.978 -7.983 -7.751 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.375 -10.127 -8.264 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.836 -9.663 -6.662 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -13.128 -9.750 -5.796 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -13.776 -10.001 -7.404 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -12.703 -12.194 -7.573 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -11.809 -11.929 -6.090 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -14.370 -11.536 -5.177 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -14.680 -12.680 -6.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -14.228 -13.806 -4.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -13.012 -14.160 -5.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -12.712 -13.052 -4.269 1.00 0.00 H new ATOM 99 N ASN A 7 -12.229 -6.205 -6.271 1.00 0.00 N ATOM 100 CA ASN A 7 -11.863 -5.215 -5.272 1.00 0.00 C ATOM 101 C ASN A 7 -12.796 -5.341 -4.067 1.00 0.00 C ATOM 102 O ASN A 7 -13.973 -5.665 -4.221 1.00 0.00 O ATOM 103 CB ASN A 7 -11.998 -3.797 -5.829 1.00 0.00 C ATOM 104 CG ASN A 7 -13.468 -3.427 -6.036 1.00 0.00 C ATOM 105 OD1 ASN A 7 -13.980 -2.678 -5.063 1.00 0.00 O flip ATOM 106 ND2 ASN A 7 -14.096 -3.797 -7.014 1.00 0.00 N flip ATOM 0 H ASN A 7 -13.179 -6.117 -6.631 1.00 0.00 H new ATOM 0 HA ASN A 7 -10.827 -5.393 -4.985 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -11.534 -3.088 -5.144 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -11.464 -3.722 -6.776 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -13.642 -4.371 -7.725 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -15.075 -3.533 -7.121 1.00 0.00 H new ATOM 113 N LEU A 8 -12.237 -5.080 -2.896 1.00 0.00 N ATOM 114 CA LEU A 8 -13.005 -5.160 -1.665 1.00 0.00 C ATOM 115 C LEU A 8 -14.171 -4.172 -1.732 1.00 0.00 C ATOM 116 O LEU A 8 -14.246 -3.354 -2.646 1.00 0.00 O ATOM 117 CB LEU A 8 -12.095 -4.958 -0.451 1.00 0.00 C ATOM 118 CG LEU A 8 -12.580 -5.579 0.860 1.00 0.00 C ATOM 119 CD1 LEU A 8 -13.452 -4.595 1.644 1.00 0.00 C ATOM 120 CD2 LEU A 8 -13.297 -6.906 0.608 1.00 0.00 C ATOM 0 H LEU A 8 -11.260 -4.813 -2.773 1.00 0.00 H new ATOM 0 HA LEU A 8 -13.436 -6.154 -1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -11.114 -5.371 -0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.962 -3.887 -0.296 1.00 0.00 H new ATOM 0 HG LEU A 8 -11.708 -5.798 1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -13.783 -5.062 2.572 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -12.874 -3.700 1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -14.321 -4.321 1.045 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -13.631 -7.325 1.557 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -14.159 -6.737 -0.037 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -12.613 -7.603 0.124 1.00 0.00 H new ATOM 132 N SER A 9 -15.054 -4.281 -0.748 1.00 0.00 N ATOM 133 CA SER A 9 -16.214 -3.407 -0.684 1.00 0.00 C ATOM 134 C SER A 9 -15.787 -1.955 -0.909 1.00 0.00 C ATOM 135 O SER A 9 -15.927 -1.428 -2.012 1.00 0.00 O ATOM 136 CB SER A 9 -16.934 -3.546 0.657 1.00 0.00 C ATOM 137 OG SER A 9 -18.047 -2.662 0.761 1.00 0.00 O ATOM 0 H SER A 9 -14.989 -4.960 0.010 1.00 0.00 H new ATOM 0 HA SER A 9 -16.909 -3.701 -1.471 1.00 0.00 H new ATOM 0 HB2 SER A 9 -17.275 -4.574 0.780 1.00 0.00 H new ATOM 0 HB3 SER A 9 -16.233 -3.343 1.467 1.00 0.00 H new ATOM 0 HG SER A 9 -18.481 -2.783 1.631 1.00 0.00 H new ATOM 143 N ASN A 10 -15.276 -1.350 0.152 1.00 0.00 N ATOM 144 CA ASN A 10 -14.829 0.031 0.084 1.00 0.00 C ATOM 145 C ASN A 10 -13.347 0.101 0.459 1.00 0.00 C ATOM 146 O ASN A 10 -12.587 0.861 -0.140 1.00 0.00 O ATOM 147 CB ASN A 10 -15.607 0.910 1.065 1.00 0.00 C ATOM 148 CG ASN A 10 -17.006 1.223 0.529 1.00 0.00 C ATOM 149 OD1 ASN A 10 -17.191 1.593 -0.618 1.00 0.00 O ATOM 150 ND2 ASN A 10 -17.976 1.053 1.422 1.00 0.00 N ATOM 0 H ASN A 10 -15.161 -1.791 1.065 1.00 0.00 H new ATOM 0 HA ASN A 10 -14.995 0.390 -0.932 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.687 0.405 2.027 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -15.063 1.839 1.237 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -18.946 1.235 1.163 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -17.751 0.741 2.366 1.00 0.00 H new ATOM 157 N ASN A 11 -12.981 -0.701 1.448 1.00 0.00 N ATOM 158 CA ASN A 11 -11.604 -0.738 1.909 1.00 0.00 C ATOM 159 C ASN A 11 -10.666 -0.517 0.721 1.00 0.00 C ATOM 160 O ASN A 11 -9.624 0.123 0.859 1.00 0.00 O ATOM 161 CB ASN A 11 -11.268 -2.096 2.530 1.00 0.00 C ATOM 162 CG ASN A 11 -9.761 -2.362 2.487 1.00 0.00 C ATOM 163 OD1 ASN A 11 -8.948 -1.527 2.848 1.00 0.00 O ATOM 164 ND2 ASN A 11 -9.437 -3.566 2.026 1.00 0.00 N ATOM 0 H ASN A 11 -13.614 -1.330 1.943 1.00 0.00 H new ATOM 0 HA ASN A 11 -11.478 0.043 2.659 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.616 -2.124 3.562 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.795 -2.885 1.994 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -8.457 -3.839 1.958 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -10.169 -4.217 1.741 1.00 0.00 H new ATOM 171 N PHE A 12 -11.069 -1.058 -0.418 1.00 0.00 N ATOM 172 CA PHE A 12 -10.277 -0.927 -1.630 1.00 0.00 C ATOM 173 C PHE A 12 -11.022 -0.109 -2.687 1.00 0.00 C ATOM 174 O PHE A 12 -10.605 0.997 -3.028 1.00 0.00 O ATOM 175 CB PHE A 12 -10.045 -2.342 -2.168 1.00 0.00 C ATOM 176 CG PHE A 12 -8.572 -2.685 -2.396 1.00 0.00 C ATOM 177 CD1 PHE A 12 -7.705 -2.693 -1.350 1.00 0.00 C ATOM 178 CD2 PHE A 12 -8.130 -2.985 -3.647 1.00 0.00 C ATOM 179 CE1 PHE A 12 -6.338 -3.013 -1.561 1.00 0.00 C ATOM 180 CE2 PHE A 12 -6.763 -3.305 -3.859 1.00 0.00 C ATOM 181 CZ PHE A 12 -5.896 -3.313 -2.812 1.00 0.00 C ATOM 0 H PHE A 12 -11.933 -1.588 -0.528 1.00 0.00 H new ATOM 0 HA PHE A 12 -9.340 -0.417 -1.408 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -10.471 -3.061 -1.468 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -10.584 -2.455 -3.109 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -8.056 -2.456 -0.357 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.819 -2.980 -4.479 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.650 -3.018 -0.729 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.412 -3.542 -4.852 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.856 -3.557 -2.973 1.00 0.00 H new ATOM 191 N GLY A 13 -12.111 -0.683 -3.174 1.00 0.00 N ATOM 192 CA GLY A 13 -12.918 -0.020 -4.184 1.00 0.00 C ATOM 193 C GLY A 13 -13.094 1.464 -3.859 1.00 0.00 C ATOM 194 O GLY A 13 -13.143 2.299 -4.761 1.00 0.00 O ATOM 0 H GLY A 13 -12.454 -1.600 -2.888 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -12.446 -0.128 -5.160 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -13.894 -0.500 -4.247 1.00 0.00 H new ATOM 198 N LYS A 14 -13.182 1.749 -2.568 1.00 0.00 N ATOM 199 CA LYS A 14 -13.351 3.118 -2.113 1.00 0.00 C ATOM 200 C LYS A 14 -11.993 3.824 -2.120 1.00 0.00 C ATOM 201 O LYS A 14 -11.845 4.885 -2.724 1.00 0.00 O ATOM 202 CB LYS A 14 -14.051 3.149 -0.754 1.00 0.00 C ATOM 203 CG LYS A 14 -14.579 4.550 -0.439 1.00 0.00 C ATOM 204 CD LYS A 14 -15.425 4.545 0.835 1.00 0.00 C ATOM 205 CE LYS A 14 -14.556 4.300 2.071 1.00 0.00 C ATOM 206 NZ LYS A 14 -13.823 5.531 2.439 1.00 0.00 N ATOM 0 H LYS A 14 -13.139 1.054 -1.822 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.001 3.667 -2.794 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.876 2.437 -0.750 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.355 2.836 0.024 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -13.743 5.239 -0.322 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.177 4.913 -1.275 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -15.944 5.498 0.935 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -16.190 3.771 0.765 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.181 3.978 2.904 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.849 3.494 1.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -13.291 5.369 3.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -13.163 5.783 1.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.499 6.308 2.582 1.00 0.00 H new ATOM 220 N ALA A 15 -11.037 3.206 -1.443 1.00 0.00 N ATOM 221 CA ALA A 15 -9.696 3.761 -1.365 1.00 0.00 C ATOM 222 C ALA A 15 -9.137 3.936 -2.777 1.00 0.00 C ATOM 223 O ALA A 15 -8.494 4.943 -3.074 1.00 0.00 O ATOM 224 CB ALA A 15 -8.818 2.857 -0.499 1.00 0.00 C ATOM 0 H ALA A 15 -11.164 2.326 -0.943 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.716 4.744 -0.894 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.812 3.274 -0.441 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -9.242 2.790 0.503 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.773 1.862 -0.941 1.00 0.00 H new ATOM 230 N MET A 16 -9.403 2.942 -3.611 1.00 0.00 N ATOM 231 CA MET A 16 -8.934 2.973 -4.987 1.00 0.00 C ATOM 232 C MET A 16 -9.582 4.124 -5.760 1.00 0.00 C ATOM 233 O MET A 16 -8.895 4.882 -6.444 1.00 0.00 O ATOM 234 CB MET A 16 -9.268 1.646 -5.670 1.00 0.00 C ATOM 235 CG MET A 16 -8.064 1.112 -6.448 1.00 0.00 C ATOM 236 SD MET A 16 -7.408 -0.337 -5.639 1.00 0.00 S ATOM 237 CE MET A 16 -7.139 0.319 -3.999 1.00 0.00 C ATOM 0 H MET A 16 -9.937 2.110 -3.361 1.00 0.00 H new ATOM 0 HA MET A 16 -7.855 3.126 -4.981 1.00 0.00 H new ATOM 0 HB2 MET A 16 -9.575 0.915 -4.922 1.00 0.00 H new ATOM 0 HB3 MET A 16 -10.111 1.783 -6.347 1.00 0.00 H new ATOM 0 HG2 MET A 16 -8.360 0.867 -7.468 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.294 1.881 -6.515 1.00 0.00 H new ATOM 0 HE1 MET A 16 -6.424 -0.310 -3.468 1.00 0.00 H new ATOM 0 HE2 MET A 16 -6.746 1.333 -4.073 1.00 0.00 H new ATOM 0 HE3 MET A 16 -8.083 0.335 -3.454 1.00 0.00 H new ATOM 247 N ASP A 17 -10.897 4.218 -5.626 1.00 0.00 N ATOM 248 CA ASP A 17 -11.645 5.262 -6.305 1.00 0.00 C ATOM 249 C ASP A 17 -11.264 6.622 -5.715 1.00 0.00 C ATOM 250 O ASP A 17 -11.120 7.601 -6.445 1.00 0.00 O ATOM 251 CB ASP A 17 -13.151 5.072 -6.117 1.00 0.00 C ATOM 252 CG ASP A 17 -14.023 6.179 -6.713 1.00 0.00 C ATOM 253 OD1 ASP A 17 -14.129 7.236 -6.053 1.00 0.00 O ATOM 254 OD2 ASP A 17 -14.564 5.944 -7.816 1.00 0.00 O ATOM 0 H ASP A 17 -11.463 3.588 -5.057 1.00 0.00 H new ATOM 0 HA ASP A 17 -11.405 5.212 -7.367 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -13.441 4.122 -6.565 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -13.362 4.999 -5.050 1.00 0.00 H new ATOM 259 N GLN A 18 -11.108 6.638 -4.400 1.00 0.00 N ATOM 260 CA GLN A 18 -10.746 7.861 -3.703 1.00 0.00 C ATOM 261 C GLN A 18 -9.299 8.242 -4.020 1.00 0.00 C ATOM 262 O GLN A 18 -8.998 9.412 -4.251 1.00 0.00 O ATOM 263 CB GLN A 18 -10.958 7.716 -2.195 1.00 0.00 C ATOM 264 CG GLN A 18 -12.333 8.245 -1.781 1.00 0.00 C ATOM 265 CD GLN A 18 -12.415 8.436 -0.266 1.00 0.00 C ATOM 266 OE1 GLN A 18 -11.415 8.546 0.426 1.00 0.00 O ATOM 267 NE2 GLN A 18 -13.657 8.469 0.210 1.00 0.00 N ATOM 0 H GLN A 18 -11.226 5.823 -3.798 1.00 0.00 H new ATOM 0 HA GLN A 18 -11.397 8.662 -4.052 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -10.867 6.668 -1.911 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.179 8.260 -1.661 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -12.527 9.194 -2.281 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -13.107 7.549 -2.106 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -14.449 8.371 -0.425 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -13.817 8.592 1.210 1.00 0.00 H new ATOM 276 N CYS A 19 -8.440 7.233 -4.019 1.00 0.00 N ATOM 277 CA CYS A 19 -7.031 7.448 -4.302 1.00 0.00 C ATOM 278 C CYS A 19 -6.907 7.994 -5.726 1.00 0.00 C ATOM 279 O CYS A 19 -6.101 8.888 -5.985 1.00 0.00 O ATOM 280 CB CYS A 19 -6.213 6.169 -4.108 1.00 0.00 C ATOM 281 SG CYS A 19 -5.624 5.890 -2.397 1.00 0.00 S ATOM 0 H CYS A 19 -8.693 6.264 -3.827 1.00 0.00 H new ATOM 0 HA CYS A 19 -6.622 8.172 -3.598 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -6.820 5.316 -4.413 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -5.351 6.201 -4.774 1.00 0.00 H new ATOM 286 N LYS A 20 -7.715 7.432 -6.614 1.00 0.00 N ATOM 287 CA LYS A 20 -7.705 7.852 -8.005 1.00 0.00 C ATOM 288 C LYS A 20 -8.215 9.291 -8.104 1.00 0.00 C ATOM 289 O LYS A 20 -8.214 9.881 -9.183 1.00 0.00 O ATOM 290 CB LYS A 20 -8.488 6.860 -8.869 1.00 0.00 C ATOM 291 CG LYS A 20 -7.740 6.558 -10.170 1.00 0.00 C ATOM 292 CD LYS A 20 -8.645 5.828 -11.164 1.00 0.00 C ATOM 293 CE LYS A 20 -9.044 6.748 -12.319 1.00 0.00 C ATOM 294 NZ LYS A 20 -10.421 7.256 -12.127 1.00 0.00 N ATOM 0 H LYS A 20 -8.380 6.690 -6.397 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.688 7.848 -8.397 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.648 5.936 -8.314 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.472 7.269 -9.097 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.383 7.488 -10.613 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.862 5.948 -9.956 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.129 4.951 -11.555 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.539 5.471 -10.653 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.348 7.584 -12.383 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.979 6.206 -13.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.675 7.879 -12.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.084 6.456 -12.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.473 7.791 -11.237 1.00 0.00 H new ATOM 308 N ASP A 21 -8.639 9.814 -6.962 1.00 0.00 N ATOM 309 CA ASP A 21 -9.151 11.172 -6.907 1.00 0.00 C ATOM 310 C ASP A 21 -8.192 12.041 -6.089 1.00 0.00 C ATOM 311 O ASP A 21 -7.517 12.912 -6.638 1.00 0.00 O ATOM 312 CB ASP A 21 -10.522 11.216 -6.230 1.00 0.00 C ATOM 313 CG ASP A 21 -11.644 11.818 -7.080 1.00 0.00 C ATOM 314 OD1 ASP A 21 -11.597 11.609 -8.312 1.00 0.00 O ATOM 315 OD2 ASP A 21 -12.524 12.471 -6.478 1.00 0.00 O ATOM 0 H ASP A 21 -8.638 9.322 -6.069 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.241 11.541 -7.929 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.804 10.202 -5.948 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.437 11.791 -5.308 1.00 0.00 H new ATOM 320 N GLU A 22 -8.163 11.775 -4.793 1.00 0.00 N ATOM 321 CA GLU A 22 -7.298 12.521 -3.895 1.00 0.00 C ATOM 322 C GLU A 22 -5.891 12.634 -4.485 1.00 0.00 C ATOM 323 O GLU A 22 -5.286 13.704 -4.457 1.00 0.00 O ATOM 324 CB GLU A 22 -7.262 11.879 -2.507 1.00 0.00 C ATOM 325 CG GLU A 22 -7.052 10.366 -2.609 1.00 0.00 C ATOM 326 CD GLU A 22 -8.152 9.609 -1.862 1.00 0.00 C ATOM 327 OE1 GLU A 22 -9.244 10.196 -1.712 1.00 0.00 O ATOM 328 OE2 GLU A 22 -7.874 8.458 -1.459 1.00 0.00 O ATOM 0 H GLU A 22 -8.725 11.053 -4.342 1.00 0.00 H new ATOM 0 HA GLU A 22 -7.705 13.526 -3.782 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.459 12.322 -1.918 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.195 12.086 -1.982 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.046 10.066 -3.657 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.079 10.102 -2.196 1.00 0.00 H new ATOM 335 N LEU A 23 -5.410 11.513 -5.003 1.00 0.00 N ATOM 336 CA LEU A 23 -4.085 11.472 -5.598 1.00 0.00 C ATOM 337 C LEU A 23 -4.211 11.576 -7.120 1.00 0.00 C ATOM 338 O LEU A 23 -3.216 11.768 -7.816 1.00 0.00 O ATOM 339 CB LEU A 23 -3.325 10.232 -5.128 1.00 0.00 C ATOM 340 CG LEU A 23 -3.611 9.771 -3.697 1.00 0.00 C ATOM 341 CD1 LEU A 23 -3.796 8.255 -3.634 1.00 0.00 C ATOM 342 CD2 LEU A 23 -2.522 10.257 -2.738 1.00 0.00 C ATOM 0 H LEU A 23 -5.914 10.627 -5.023 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.492 12.325 -5.267 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.556 9.410 -5.806 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.257 10.429 -5.218 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.550 10.221 -3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.998 7.956 -2.606 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.634 7.964 -4.268 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.888 7.763 -3.984 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.748 9.916 -1.728 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.558 9.855 -3.049 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.483 11.346 -2.753 1.00 0.00 H new ATOM 354 N SER A 24 -5.443 11.446 -7.590 1.00 0.00 N ATOM 355 CA SER A 24 -5.712 11.523 -9.016 1.00 0.00 C ATOM 356 C SER A 24 -4.764 10.593 -9.779 1.00 0.00 C ATOM 357 O SER A 24 -4.577 10.746 -10.985 1.00 0.00 O ATOM 358 CB SER A 24 -5.570 12.959 -9.527 1.00 0.00 C ATOM 359 OG SER A 24 -6.778 13.699 -9.376 1.00 0.00 O ATOM 0 H SER A 24 -6.266 11.288 -7.009 1.00 0.00 H new ATOM 0 HA SER A 24 -6.740 11.204 -9.187 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.768 13.459 -8.985 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.283 12.943 -10.578 1.00 0.00 H new ATOM 0 HG SER A 24 -7.146 13.545 -8.481 1.00 0.00 H new ATOM 365 N LEU A 25 -4.193 9.651 -9.043 1.00 0.00 N ATOM 366 CA LEU A 25 -3.272 8.696 -9.634 1.00 0.00 C ATOM 367 C LEU A 25 -4.066 7.572 -10.301 1.00 0.00 C ATOM 368 O LEU A 25 -5.274 7.458 -10.102 1.00 0.00 O ATOM 369 CB LEU A 25 -2.267 8.206 -8.589 1.00 0.00 C ATOM 370 CG LEU A 25 -2.735 7.050 -7.702 1.00 0.00 C ATOM 371 CD1 LEU A 25 -4.221 7.183 -7.366 1.00 0.00 C ATOM 372 CD2 LEU A 25 -2.410 5.700 -8.343 1.00 0.00 C ATOM 0 H LEU A 25 -4.351 9.529 -8.043 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.679 9.171 -10.415 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.357 7.898 -9.104 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.001 9.046 -7.947 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.187 7.099 -6.761 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.527 6.349 -6.735 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.392 8.120 -6.837 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.804 7.175 -8.287 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.753 4.896 -7.692 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.912 5.625 -9.308 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.333 5.615 -8.487 1.00 0.00 H new ATOM 384 N PRO A 26 -3.336 6.748 -11.098 1.00 0.00 N ATOM 385 CA PRO A 26 -3.959 5.636 -11.795 1.00 0.00 C ATOM 386 C PRO A 26 -4.267 4.487 -10.833 1.00 0.00 C ATOM 387 O PRO A 26 -3.362 3.932 -10.213 1.00 0.00 O ATOM 388 CB PRO A 26 -2.970 5.249 -12.883 1.00 0.00 C ATOM 389 CG PRO A 26 -1.636 5.845 -12.465 1.00 0.00 C ATOM 390 CD PRO A 26 -1.902 6.851 -11.357 1.00 0.00 C ATOM 0 HA PRO A 26 -4.924 5.900 -12.227 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.900 4.166 -12.980 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -3.284 5.636 -13.852 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.961 5.063 -12.117 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -1.152 6.330 -13.313 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.321 6.620 -10.464 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.627 7.860 -11.664 1.00 0.00 H new ATOM 398 N ASP A 27 -5.548 4.166 -10.735 1.00 0.00 N ATOM 399 CA ASP A 27 -5.987 3.094 -9.858 1.00 0.00 C ATOM 400 C ASP A 27 -5.465 1.760 -10.390 1.00 0.00 C ATOM 401 O ASP A 27 -5.723 0.710 -9.804 1.00 0.00 O ATOM 402 CB ASP A 27 -7.515 3.017 -9.805 1.00 0.00 C ATOM 403 CG ASP A 27 -8.187 2.587 -11.110 1.00 0.00 C ATOM 404 OD1 ASP A 27 -7.564 2.815 -12.171 1.00 0.00 O ATOM 405 OD2 ASP A 27 -9.309 2.043 -11.020 1.00 0.00 O ATOM 0 H ASP A 27 -6.297 4.630 -11.249 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.601 3.296 -8.859 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.801 2.318 -9.019 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.903 3.995 -9.519 1.00 0.00 H new ATOM 410 N SER A 28 -4.739 1.842 -11.496 1.00 0.00 N ATOM 411 CA SER A 28 -4.179 0.653 -12.113 1.00 0.00 C ATOM 412 C SER A 28 -2.889 0.249 -11.396 1.00 0.00 C ATOM 413 O SER A 28 -2.645 -0.935 -11.168 1.00 0.00 O ATOM 414 CB SER A 28 -3.908 0.882 -13.603 1.00 0.00 C ATOM 415 OG SER A 28 -3.282 2.138 -13.844 1.00 0.00 O ATOM 0 H SER A 28 -4.526 2.714 -11.980 1.00 0.00 H new ATOM 0 HA SER A 28 -4.906 -0.154 -12.022 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.273 0.082 -13.983 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.847 0.833 -14.154 1.00 0.00 H new ATOM 0 HG SER A 28 -3.124 2.246 -14.805 1.00 0.00 H new ATOM 421 N VAL A 29 -2.097 1.257 -11.058 1.00 0.00 N ATOM 422 CA VAL A 29 -0.839 1.022 -10.370 1.00 0.00 C ATOM 423 C VAL A 29 -1.120 0.429 -8.988 1.00 0.00 C ATOM 424 O VAL A 29 -0.381 -0.432 -8.516 1.00 0.00 O ATOM 425 CB VAL A 29 -0.025 2.315 -10.311 1.00 0.00 C ATOM 426 CG1 VAL A 29 0.425 2.745 -11.708 1.00 0.00 C ATOM 427 CG2 VAL A 29 -0.818 3.429 -9.624 1.00 0.00 C ATOM 0 H VAL A 29 -2.303 2.238 -11.248 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.235 0.298 -10.917 1.00 0.00 H new ATOM 0 HB VAL A 29 0.868 2.122 -9.717 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.002 3.667 -11.637 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.044 1.963 -12.148 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.450 2.912 -12.337 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.217 4.338 -9.595 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.736 3.618 -10.180 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.066 3.125 -8.607 1.00 0.00 H new ATOM 437 N VAL A 30 -2.193 0.912 -8.381 1.00 0.00 N ATOM 438 CA VAL A 30 -2.583 0.441 -7.062 1.00 0.00 C ATOM 439 C VAL A 30 -3.263 -0.924 -7.193 1.00 0.00 C ATOM 440 O VAL A 30 -3.173 -1.756 -6.292 1.00 0.00 O ATOM 441 CB VAL A 30 -3.464 1.484 -6.371 1.00 0.00 C ATOM 442 CG1 VAL A 30 -2.705 2.798 -6.174 1.00 0.00 C ATOM 443 CG2 VAL A 30 -4.759 1.711 -7.153 1.00 0.00 C ATOM 0 H VAL A 30 -2.805 1.625 -8.778 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.705 0.308 -6.430 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.730 1.100 -5.386 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.353 3.522 -5.681 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.824 2.620 -5.557 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.396 3.189 -7.144 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.367 2.457 -6.641 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.521 2.064 -8.156 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.313 0.774 -7.220 1.00 0.00 H new ATOM 453 N ALA A 31 -3.930 -1.111 -8.323 1.00 0.00 N ATOM 454 CA ALA A 31 -4.625 -2.359 -8.583 1.00 0.00 C ATOM 455 C ALA A 31 -3.604 -3.492 -8.698 1.00 0.00 C ATOM 456 O ALA A 31 -3.960 -4.666 -8.596 1.00 0.00 O ATOM 457 CB ALA A 31 -5.480 -2.214 -9.844 1.00 0.00 C ATOM 0 H ALA A 31 -4.003 -0.419 -9.068 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.297 -2.603 -7.760 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -6.002 -3.151 -10.039 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.208 -1.416 -9.700 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.839 -1.972 -10.692 1.00 0.00 H new ATOM 463 N ASP A 32 -2.355 -3.102 -8.908 1.00 0.00 N ATOM 464 CA ASP A 32 -1.280 -4.071 -9.038 1.00 0.00 C ATOM 465 C ASP A 32 -0.834 -4.521 -7.645 1.00 0.00 C ATOM 466 O ASP A 32 -0.209 -5.569 -7.498 1.00 0.00 O ATOM 467 CB ASP A 32 -0.070 -3.458 -9.746 1.00 0.00 C ATOM 468 CG ASP A 32 0.778 -4.447 -10.548 1.00 0.00 C ATOM 469 OD1 ASP A 32 0.277 -5.570 -10.777 1.00 0.00 O ATOM 470 OD2 ASP A 32 1.908 -4.060 -10.914 1.00 0.00 O ATOM 0 H ASP A 32 -2.064 -2.128 -8.991 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.653 -4.912 -9.622 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.420 -2.674 -10.418 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.565 -2.979 -9.000 1.00 0.00 H new ATOM 475 N LEU A 33 -1.175 -3.707 -6.657 1.00 0.00 N ATOM 476 CA LEU A 33 -0.818 -4.008 -5.281 1.00 0.00 C ATOM 477 C LEU A 33 -1.236 -5.442 -4.953 1.00 0.00 C ATOM 478 O LEU A 33 -0.434 -6.226 -4.451 1.00 0.00 O ATOM 479 CB LEU A 33 -1.410 -2.962 -4.333 1.00 0.00 C ATOM 480 CG LEU A 33 -1.056 -1.505 -4.635 1.00 0.00 C ATOM 481 CD1 LEU A 33 -2.085 -0.552 -4.024 1.00 0.00 C ATOM 482 CD2 LEU A 33 0.368 -1.181 -4.180 1.00 0.00 C ATOM 0 H LEU A 33 -1.695 -2.839 -6.782 1.00 0.00 H new ATOM 0 HA LEU A 33 0.262 -3.952 -5.146 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.495 -3.062 -4.347 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.081 -3.192 -3.319 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.088 -1.363 -5.715 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -1.809 0.477 -4.254 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.070 -0.765 -4.439 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.110 -0.688 -2.943 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.594 -0.139 -4.406 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.453 -1.346 -3.106 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.073 -1.827 -4.703 1.00 0.00 H new ATOM 494 N TYR A 34 -2.493 -5.741 -5.252 1.00 0.00 N ATOM 495 CA TYR A 34 -3.027 -7.068 -4.993 1.00 0.00 C ATOM 496 C TYR A 34 -2.372 -8.108 -5.904 1.00 0.00 C ATOM 497 O TYR A 34 -2.372 -9.299 -5.593 1.00 0.00 O ATOM 498 CB TYR A 34 -4.521 -6.991 -5.318 1.00 0.00 C ATOM 499 CG TYR A 34 -5.415 -7.713 -4.309 1.00 0.00 C ATOM 500 CD1 TYR A 34 -4.987 -8.888 -3.724 1.00 0.00 C ATOM 501 CD2 TYR A 34 -6.649 -7.189 -3.982 1.00 0.00 C ATOM 502 CE1 TYR A 34 -5.829 -9.566 -2.772 1.00 0.00 C ATOM 503 CE2 TYR A 34 -7.491 -7.869 -3.031 1.00 0.00 C ATOM 504 CZ TYR A 34 -7.039 -9.024 -2.474 1.00 0.00 C ATOM 505 OH TYR A 34 -7.834 -9.666 -1.577 1.00 0.00 O ATOM 0 H TYR A 34 -3.156 -5.088 -5.670 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.838 -7.365 -3.961 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -4.818 -5.943 -5.367 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.690 -7.417 -6.307 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.021 -9.299 -3.980 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -6.984 -6.269 -4.439 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.506 -10.485 -2.305 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.459 -7.470 -2.767 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.668 -9.164 -1.461 1.00 0.00 H new ATOM 515 N ASN A 35 -1.830 -7.623 -7.010 1.00 0.00 N ATOM 516 CA ASN A 35 -1.172 -8.496 -7.968 1.00 0.00 C ATOM 517 C ASN A 35 0.182 -8.932 -7.407 1.00 0.00 C ATOM 518 O ASN A 35 0.349 -10.082 -7.000 1.00 0.00 O ATOM 519 CB ASN A 35 -0.926 -7.773 -9.293 1.00 0.00 C ATOM 520 CG ASN A 35 -1.606 -8.505 -10.452 1.00 0.00 C ATOM 521 OD1 ASN A 35 -2.820 -8.607 -10.529 1.00 0.00 O ATOM 522 ND2 ASN A 35 -0.759 -9.006 -11.348 1.00 0.00 N ATOM 0 H ASN A 35 -1.833 -6.635 -7.265 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.819 -9.356 -8.142 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.305 -6.753 -9.230 1.00 0.00 H new ATOM 0 HB3 ASN A 35 0.146 -7.704 -9.480 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.115 -9.511 -12.159 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.246 -8.885 -11.223 1.00 0.00 H new ATOM 529 N PHE A 36 1.116 -7.993 -7.405 1.00 0.00 N ATOM 530 CA PHE A 36 2.452 -8.265 -6.902 1.00 0.00 C ATOM 531 C PHE A 36 3.464 -7.263 -7.459 1.00 0.00 C ATOM 532 O PHE A 36 4.520 -7.651 -7.955 1.00 0.00 O ATOM 533 CB PHE A 36 2.829 -9.670 -7.375 1.00 0.00 C ATOM 534 CG PHE A 36 2.736 -10.740 -6.285 1.00 0.00 C ATOM 535 CD1 PHE A 36 3.288 -10.516 -5.062 1.00 0.00 C ATOM 536 CD2 PHE A 36 2.101 -11.916 -6.538 1.00 0.00 C ATOM 537 CE1 PHE A 36 3.201 -11.509 -4.051 1.00 0.00 C ATOM 538 CE2 PHE A 36 2.014 -12.909 -5.527 1.00 0.00 C ATOM 539 CZ PHE A 36 2.567 -12.685 -4.305 1.00 0.00 C ATOM 0 H PHE A 36 0.974 -7.042 -7.744 1.00 0.00 H new ATOM 0 HA PHE A 36 2.464 -8.184 -5.815 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.177 -9.951 -8.202 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.847 -9.650 -7.764 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.792 -9.583 -4.860 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.663 -12.095 -7.509 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.638 -11.330 -3.080 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.509 -13.842 -5.728 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.503 -13.441 -3.536 1.00 0.00 H new ATOM 549 N TRP A 37 3.104 -5.991 -7.360 1.00 0.00 N ATOM 550 CA TRP A 37 3.968 -4.930 -7.848 1.00 0.00 C ATOM 551 C TRP A 37 4.866 -4.481 -6.693 1.00 0.00 C ATOM 552 O TRP A 37 5.466 -3.409 -6.748 1.00 0.00 O ATOM 553 CB TRP A 37 3.148 -3.786 -8.447 1.00 0.00 C ATOM 554 CG TRP A 37 3.228 -2.481 -7.653 1.00 0.00 C ATOM 555 CD1 TRP A 37 3.393 -1.237 -8.125 1.00 0.00 C ATOM 556 CD2 TRP A 37 3.141 -2.339 -6.220 1.00 0.00 C ATOM 557 NE1 TRP A 37 3.419 -0.309 -7.105 1.00 0.00 N ATOM 558 CE2 TRP A 37 3.260 -0.999 -5.910 1.00 0.00 C ATOM 559 CE3 TRP A 37 2.967 -3.310 -5.218 1.00 0.00 C ATOM 560 CZ2 TRP A 37 3.218 -0.509 -4.598 1.00 0.00 C ATOM 561 CZ3 TRP A 37 2.928 -2.804 -3.912 1.00 0.00 C ATOM 562 CH2 TRP A 37 3.046 -1.459 -3.585 1.00 0.00 C ATOM 0 H TRP A 37 2.226 -5.672 -6.949 1.00 0.00 H new ATOM 0 HA TRP A 37 4.600 -5.291 -8.660 1.00 0.00 H new ATOM 0 HB2 TRP A 37 3.491 -3.601 -9.465 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.105 -4.096 -8.513 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.493 -0.992 -9.172 1.00 0.00 H new ATOM 0 HE1 TRP A 37 3.534 0.699 -7.209 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.871 -4.363 -5.438 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 3.313 0.545 -4.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.797 -3.508 -3.104 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.005 -1.147 -2.552 1.00 0.00 H new ATOM 573 N LYS A 38 4.929 -5.325 -5.674 1.00 0.00 N ATOM 574 CA LYS A 38 5.743 -5.029 -4.507 1.00 0.00 C ATOM 575 C LYS A 38 7.105 -4.501 -4.962 1.00 0.00 C ATOM 576 O LYS A 38 7.519 -3.413 -4.562 1.00 0.00 O ATOM 577 CB LYS A 38 5.832 -6.251 -3.591 1.00 0.00 C ATOM 578 CG LYS A 38 4.772 -6.188 -2.489 1.00 0.00 C ATOM 579 CD LYS A 38 3.722 -7.285 -2.675 1.00 0.00 C ATOM 580 CE LYS A 38 2.432 -6.715 -3.267 1.00 0.00 C ATOM 581 NZ LYS A 38 1.356 -7.732 -3.242 1.00 0.00 N ATOM 0 H LYS A 38 4.430 -6.214 -5.632 1.00 0.00 H new ATOM 0 HA LYS A 38 5.280 -4.245 -3.908 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.699 -7.160 -4.177 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.825 -6.303 -3.143 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.248 -6.297 -1.515 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.288 -5.211 -2.500 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.115 -8.062 -3.331 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.509 -7.756 -1.715 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.123 -5.836 -2.701 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.608 -6.389 -4.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.551 -7.399 -3.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.713 -8.625 -3.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.047 -7.887 -2.261 1.00 0.00 H new ATOM 595 N ASP A 39 7.766 -5.297 -5.790 1.00 0.00 N ATOM 596 CA ASP A 39 9.073 -4.923 -6.304 1.00 0.00 C ATOM 597 C ASP A 39 8.998 -3.518 -6.904 1.00 0.00 C ATOM 598 O ASP A 39 9.950 -2.745 -6.806 1.00 0.00 O ATOM 599 CB ASP A 39 9.528 -5.884 -7.404 1.00 0.00 C ATOM 600 CG ASP A 39 10.797 -5.463 -8.146 1.00 0.00 C ATOM 601 OD1 ASP A 39 11.856 -5.427 -7.484 1.00 0.00 O ATOM 602 OD2 ASP A 39 10.679 -5.186 -9.360 1.00 0.00 O ATOM 0 H ASP A 39 7.421 -6.199 -6.118 1.00 0.00 H new ATOM 0 HA ASP A 39 9.783 -4.959 -5.478 1.00 0.00 H new ATOM 0 HB2 ASP A 39 9.693 -6.867 -6.962 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.721 -5.992 -8.128 1.00 0.00 H new ATOM 607 N ASP A 40 7.857 -3.230 -7.514 1.00 0.00 N ATOM 608 CA ASP A 40 7.646 -1.932 -8.132 1.00 0.00 C ATOM 609 C ASP A 40 7.370 -0.894 -7.042 1.00 0.00 C ATOM 610 O ASP A 40 6.342 -0.218 -7.069 1.00 0.00 O ATOM 611 CB ASP A 40 6.442 -1.960 -9.074 1.00 0.00 C ATOM 612 CG ASP A 40 6.269 -0.710 -9.939 1.00 0.00 C ATOM 613 OD1 ASP A 40 6.396 0.397 -9.370 1.00 0.00 O ATOM 614 OD2 ASP A 40 6.012 -0.889 -11.150 1.00 0.00 O ATOM 0 H ASP A 40 7.069 -3.873 -7.593 1.00 0.00 H new ATOM 0 HA ASP A 40 8.541 -1.678 -8.700 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.532 -2.827 -9.729 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.539 -2.101 -8.481 1.00 0.00 H new ATOM 619 N TYR A 41 8.305 -0.798 -6.109 1.00 0.00 N ATOM 620 CA TYR A 41 8.177 0.147 -5.014 1.00 0.00 C ATOM 621 C TYR A 41 8.022 1.577 -5.536 1.00 0.00 C ATOM 622 O TYR A 41 8.142 1.819 -6.737 1.00 0.00 O ATOM 623 CB TYR A 41 9.478 0.047 -4.215 1.00 0.00 C ATOM 624 CG TYR A 41 10.698 -0.329 -5.057 1.00 0.00 C ATOM 625 CD1 TYR A 41 10.774 0.067 -6.377 1.00 0.00 C ATOM 626 CD2 TYR A 41 11.723 -1.065 -4.498 1.00 0.00 C ATOM 627 CE1 TYR A 41 11.923 -0.287 -7.170 1.00 0.00 C ATOM 628 CE2 TYR A 41 12.871 -1.420 -5.290 1.00 0.00 C ATOM 629 CZ TYR A 41 12.914 -1.013 -6.587 1.00 0.00 C ATOM 630 OH TYR A 41 13.999 -1.349 -7.336 1.00 0.00 O ATOM 0 H TYR A 41 9.156 -1.360 -6.089 1.00 0.00 H new ATOM 0 HA TYR A 41 7.298 -0.082 -4.412 1.00 0.00 H new ATOM 0 HB2 TYR A 41 9.667 1.003 -3.727 1.00 0.00 H new ATOM 0 HB3 TYR A 41 9.352 -0.694 -3.426 1.00 0.00 H new ATOM 0 HD1 TYR A 41 9.972 0.642 -6.815 1.00 0.00 H new ATOM 0 HD2 TYR A 41 11.664 -1.375 -3.465 1.00 0.00 H new ATOM 0 HE1 TYR A 41 11.996 0.017 -8.204 1.00 0.00 H new ATOM 0 HE2 TYR A 41 13.679 -1.996 -4.864 1.00 0.00 H new ATOM 0 HH TYR A 41 14.627 -1.866 -6.789 1.00 0.00 H new ATOM 640 N VAL A 42 7.758 2.487 -4.610 1.00 0.00 N ATOM 641 CA VAL A 42 7.585 3.885 -4.963 1.00 0.00 C ATOM 642 C VAL A 42 8.663 4.289 -5.972 1.00 0.00 C ATOM 643 O VAL A 42 8.404 5.077 -6.880 1.00 0.00 O ATOM 644 CB VAL A 42 7.597 4.748 -3.700 1.00 0.00 C ATOM 645 CG1 VAL A 42 8.138 6.149 -3.998 1.00 0.00 C ATOM 646 CG2 VAL A 42 6.202 4.822 -3.075 1.00 0.00 C ATOM 0 H VAL A 42 7.660 2.283 -3.615 1.00 0.00 H new ATOM 0 HA VAL A 42 6.617 4.042 -5.440 1.00 0.00 H new ATOM 0 HB VAL A 42 8.265 4.277 -2.978 1.00 0.00 H new ATOM 0 HG11 VAL A 42 8.136 6.742 -3.083 1.00 0.00 H new ATOM 0 HG12 VAL A 42 9.157 6.072 -4.378 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.507 6.631 -4.745 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.237 5.441 -2.179 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.505 5.259 -3.791 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.868 3.819 -2.810 1.00 0.00 H new ATOM 656 N MET A 43 9.848 3.730 -5.779 1.00 0.00 N ATOM 657 CA MET A 43 10.966 4.021 -6.661 1.00 0.00 C ATOM 658 C MET A 43 10.505 4.115 -8.117 1.00 0.00 C ATOM 659 O MET A 43 11.123 4.807 -8.924 1.00 0.00 O ATOM 660 CB MET A 43 12.021 2.922 -6.529 1.00 0.00 C ATOM 661 CG MET A 43 12.315 2.617 -5.059 1.00 0.00 C ATOM 662 SD MET A 43 13.940 1.896 -4.898 1.00 0.00 S ATOM 663 CE MET A 43 14.924 3.170 -5.667 1.00 0.00 C ATOM 0 H MET A 43 10.059 3.077 -5.025 1.00 0.00 H new ATOM 0 HA MET A 43 11.392 4.982 -6.372 1.00 0.00 H new ATOM 0 HB2 MET A 43 11.674 2.018 -7.029 1.00 0.00 H new ATOM 0 HB3 MET A 43 12.938 3.231 -7.030 1.00 0.00 H new ATOM 0 HG2 MET A 43 12.254 3.532 -4.470 1.00 0.00 H new ATOM 0 HG3 MET A 43 11.564 1.933 -4.664 1.00 0.00 H new ATOM 0 HE1 MET A 43 15.965 3.058 -5.364 1.00 0.00 H new ATOM 0 HE2 MET A 43 14.850 3.082 -6.751 1.00 0.00 H new ATOM 0 HE3 MET A 43 14.559 4.149 -5.357 1.00 0.00 H new ATOM 673 N THR A 44 9.424 3.407 -8.409 1.00 0.00 N ATOM 674 CA THR A 44 8.873 3.402 -9.754 1.00 0.00 C ATOM 675 C THR A 44 7.562 4.191 -9.796 1.00 0.00 C ATOM 676 O THR A 44 7.401 5.089 -10.621 1.00 0.00 O ATOM 677 CB THR A 44 8.720 1.946 -10.197 1.00 0.00 C ATOM 678 OG1 THR A 44 10.004 1.603 -10.713 1.00 0.00 O ATOM 679 CG2 THR A 44 7.784 1.794 -11.396 1.00 0.00 C ATOM 0 H THR A 44 8.915 2.833 -7.737 1.00 0.00 H new ATOM 0 HA THR A 44 9.540 3.902 -10.456 1.00 0.00 H new ATOM 0 HB THR A 44 8.343 1.352 -9.365 1.00 0.00 H new ATOM 0 HG1 THR A 44 9.995 0.673 -11.022 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.711 0.741 -11.669 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.795 2.171 -11.136 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.178 2.361 -12.239 1.00 0.00 H new ATOM 687 N ASP A 45 6.661 3.826 -8.898 1.00 0.00 N ATOM 688 CA ASP A 45 5.369 4.487 -8.822 1.00 0.00 C ATOM 689 C ASP A 45 5.092 4.890 -7.373 1.00 0.00 C ATOM 690 O ASP A 45 4.642 4.072 -6.573 1.00 0.00 O ATOM 691 CB ASP A 45 4.244 3.555 -9.277 1.00 0.00 C ATOM 692 CG ASP A 45 3.104 4.239 -10.034 1.00 0.00 C ATOM 693 OD1 ASP A 45 2.155 4.681 -9.351 1.00 0.00 O ATOM 694 OD2 ASP A 45 3.206 4.304 -11.278 1.00 0.00 O ATOM 0 H ASP A 45 6.799 3.080 -8.216 1.00 0.00 H new ATOM 0 HA ASP A 45 5.399 5.360 -9.474 1.00 0.00 H new ATOM 0 HB2 ASP A 45 4.670 2.780 -9.915 1.00 0.00 H new ATOM 0 HB3 ASP A 45 3.830 3.055 -8.401 1.00 0.00 H new ATOM 699 N ARG A 46 5.369 6.153 -7.081 1.00 0.00 N ATOM 700 CA ARG A 46 5.154 6.675 -5.742 1.00 0.00 C ATOM 701 C ARG A 46 3.657 6.728 -5.426 1.00 0.00 C ATOM 702 O ARG A 46 3.256 6.555 -4.276 1.00 0.00 O ATOM 703 CB ARG A 46 5.749 8.077 -5.594 1.00 0.00 C ATOM 704 CG ARG A 46 4.819 9.133 -6.193 1.00 0.00 C ATOM 705 CD ARG A 46 3.888 9.712 -5.126 1.00 0.00 C ATOM 706 NE ARG A 46 4.602 10.736 -4.333 1.00 0.00 N ATOM 707 CZ ARG A 46 4.771 12.007 -4.725 1.00 0.00 C ATOM 708 NH1 ARG A 46 4.279 12.416 -5.902 1.00 0.00 N ATOM 709 NH2 ARG A 46 5.433 12.868 -3.940 1.00 0.00 N ATOM 0 H ARG A 46 5.740 6.829 -7.748 1.00 0.00 H new ATOM 0 HA ARG A 46 5.653 6.005 -5.042 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.920 8.294 -4.540 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.719 8.118 -6.089 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.410 9.933 -6.638 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.228 8.690 -6.995 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.010 10.153 -5.598 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.532 8.916 -4.472 1.00 0.00 H new ATOM 0 HE ARG A 46 4.990 10.458 -3.432 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.776 11.760 -6.500 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.408 13.383 -6.200 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.808 12.556 -3.044 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.562 13.835 -4.238 1.00 0.00 H new ATOM 723 N LEU A 47 2.874 6.968 -6.467 1.00 0.00 N ATOM 724 CA LEU A 47 1.431 7.047 -6.316 1.00 0.00 C ATOM 725 C LEU A 47 0.921 5.761 -5.661 1.00 0.00 C ATOM 726 O LEU A 47 0.092 5.810 -4.754 1.00 0.00 O ATOM 727 CB LEU A 47 0.767 7.358 -7.658 1.00 0.00 C ATOM 728 CG LEU A 47 1.382 8.508 -8.460 1.00 0.00 C ATOM 729 CD1 LEU A 47 1.713 9.693 -7.552 1.00 0.00 C ATOM 730 CD2 LEU A 47 2.602 8.033 -9.251 1.00 0.00 C ATOM 0 H LEU A 47 3.212 7.110 -7.419 1.00 0.00 H new ATOM 0 HA LEU A 47 1.162 7.871 -5.656 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.795 6.458 -8.272 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.283 7.588 -7.477 1.00 0.00 H new ATOM 0 HG LEU A 47 0.644 8.854 -9.184 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.149 10.496 -8.146 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.801 10.050 -7.072 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.425 9.379 -6.789 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.020 8.869 -9.812 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.353 7.646 -8.563 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.303 7.245 -9.943 1.00 0.00 H new ATOM 742 N ALA A 48 1.440 4.642 -6.144 1.00 0.00 N ATOM 743 CA ALA A 48 1.046 3.346 -5.617 1.00 0.00 C ATOM 744 C ALA A 48 1.390 3.281 -4.128 1.00 0.00 C ATOM 745 O ALA A 48 0.695 2.624 -3.355 1.00 0.00 O ATOM 746 CB ALA A 48 1.729 2.239 -6.424 1.00 0.00 C ATOM 0 H ALA A 48 2.130 4.606 -6.894 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.030 3.202 -5.713 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.434 1.267 -6.030 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.429 2.313 -7.469 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.811 2.348 -6.349 1.00 0.00 H new ATOM 752 N GLY A 49 2.464 3.970 -3.771 1.00 0.00 N ATOM 753 CA GLY A 49 2.910 3.998 -2.388 1.00 0.00 C ATOM 754 C GLY A 49 2.096 5.005 -1.571 1.00 0.00 C ATOM 755 O GLY A 49 1.885 4.812 -0.374 1.00 0.00 O ATOM 0 H GLY A 49 3.038 4.513 -4.415 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.812 3.005 -1.950 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.967 4.261 -2.348 1.00 0.00 H new ATOM 759 N CYS A 50 1.662 6.057 -2.249 1.00 0.00 N ATOM 760 CA CYS A 50 0.877 7.094 -1.601 1.00 0.00 C ATOM 761 C CYS A 50 -0.569 6.605 -1.495 1.00 0.00 C ATOM 762 O CYS A 50 -1.205 6.756 -0.453 1.00 0.00 O ATOM 763 CB CYS A 50 0.976 8.427 -2.344 1.00 0.00 C ATOM 764 SG CYS A 50 2.066 9.667 -1.554 1.00 0.00 S ATOM 0 H CYS A 50 1.839 6.214 -3.241 1.00 0.00 H new ATOM 0 HA CYS A 50 1.271 7.281 -0.602 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.338 8.238 -3.355 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -0.024 8.850 -2.437 1.00 0.00 H new ATOM 769 N ALA A 51 -1.048 6.030 -2.589 1.00 0.00 N ATOM 770 CA ALA A 51 -2.407 5.520 -2.632 1.00 0.00 C ATOM 771 C ALA A 51 -2.581 4.451 -1.550 1.00 0.00 C ATOM 772 O ALA A 51 -3.539 4.493 -0.781 1.00 0.00 O ATOM 773 CB ALA A 51 -2.706 4.983 -4.033 1.00 0.00 C ATOM 0 H ALA A 51 -0.519 5.906 -3.452 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.122 6.317 -2.427 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.726 4.600 -4.066 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.596 5.786 -4.762 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.009 4.180 -4.271 1.00 0.00 H new ATOM 779 N ILE A 52 -1.639 3.521 -1.526 1.00 0.00 N ATOM 780 CA ILE A 52 -1.676 2.444 -0.551 1.00 0.00 C ATOM 781 C ILE A 52 -1.879 3.034 0.846 1.00 0.00 C ATOM 782 O ILE A 52 -2.569 2.446 1.679 1.00 0.00 O ATOM 783 CB ILE A 52 -0.428 1.568 -0.673 1.00 0.00 C ATOM 784 CG1 ILE A 52 -0.728 0.126 -0.259 1.00 0.00 C ATOM 785 CG2 ILE A 52 0.738 2.161 0.120 1.00 0.00 C ATOM 786 CD1 ILE A 52 -1.646 0.086 0.965 1.00 0.00 C ATOM 0 H ILE A 52 -0.845 3.490 -2.166 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.521 1.783 -0.745 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.127 1.547 -1.720 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.198 -0.404 -1.088 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.204 -0.393 -0.036 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.613 1.519 0.016 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.970 3.155 -0.263 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.463 2.233 1.172 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -1.843 -0.951 1.238 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.163 0.595 1.799 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.586 0.585 0.731 1.00 0.00 H new ATOM 798 N ASN A 53 -1.264 4.189 1.062 1.00 0.00 N ATOM 799 CA ASN A 53 -1.369 4.864 2.343 1.00 0.00 C ATOM 800 C ASN A 53 -2.829 5.243 2.597 1.00 0.00 C ATOM 801 O ASN A 53 -3.336 5.067 3.705 1.00 0.00 O ATOM 802 CB ASN A 53 -0.538 6.149 2.358 1.00 0.00 C ATOM 803 CG ASN A 53 0.562 6.078 3.418 1.00 0.00 C ATOM 804 OD1 ASN A 53 1.706 5.755 3.144 1.00 0.00 O ATOM 805 ND2 ASN A 53 0.154 6.398 4.644 1.00 0.00 N ATOM 0 H ASN A 53 -0.692 4.673 0.370 1.00 0.00 H new ATOM 0 HA ASN A 53 -1.000 4.186 3.112 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -0.092 6.309 1.376 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -1.186 7.003 2.557 1.00 0.00 H new ATOM 0 HD21 ASN A 53 0.814 6.382 5.422 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -0.818 6.660 4.806 1.00 0.00 H new ATOM 812 N CYS A 54 -3.465 5.757 1.555 1.00 0.00 N ATOM 813 CA CYS A 54 -4.856 6.161 1.651 1.00 0.00 C ATOM 814 C CYS A 54 -5.703 4.914 1.909 1.00 0.00 C ATOM 815 O CYS A 54 -6.764 4.996 2.529 1.00 0.00 O ATOM 816 CB CYS A 54 -5.316 6.914 0.400 1.00 0.00 C ATOM 817 SG CYS A 54 -6.358 5.936 -0.742 1.00 0.00 S ATOM 0 H CYS A 54 -3.041 5.903 0.639 1.00 0.00 H new ATOM 0 HA CYS A 54 -4.976 6.859 2.480 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -5.872 7.799 0.709 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -4.437 7.263 -0.141 1.00 0.00 H new ATOM 822 N LEU A 55 -5.204 3.787 1.422 1.00 0.00 N ATOM 823 CA LEU A 55 -5.901 2.524 1.592 1.00 0.00 C ATOM 824 C LEU A 55 -6.202 2.309 3.076 1.00 0.00 C ATOM 825 O LEU A 55 -7.224 1.722 3.427 1.00 0.00 O ATOM 826 CB LEU A 55 -5.106 1.383 0.955 1.00 0.00 C ATOM 827 CG LEU A 55 -5.907 0.135 0.580 1.00 0.00 C ATOM 828 CD1 LEU A 55 -6.695 -0.392 1.780 1.00 0.00 C ATOM 829 CD2 LEU A 55 -6.811 0.405 -0.625 1.00 0.00 C ATOM 0 H LEU A 55 -4.325 3.723 0.909 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.858 2.544 1.071 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.621 1.763 0.056 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.315 1.089 1.644 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.205 -0.646 0.288 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.255 -1.279 1.486 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.005 -0.648 2.584 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.387 0.376 2.127 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.369 -0.498 -0.871 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.508 1.208 -0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.201 0.698 -1.479 1.00 0.00 H new ATOM 841 N ALA A 56 -5.295 2.797 3.909 1.00 0.00 N ATOM 842 CA ALA A 56 -5.450 2.665 5.347 1.00 0.00 C ATOM 843 C ALA A 56 -6.507 3.659 5.834 1.00 0.00 C ATOM 844 O ALA A 56 -6.979 3.564 6.967 1.00 0.00 O ATOM 845 CB ALA A 56 -4.097 2.873 6.029 1.00 0.00 C ATOM 0 H ALA A 56 -4.449 3.285 3.615 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.794 1.663 5.605 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.214 2.774 7.108 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.390 2.125 5.671 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.721 3.869 5.795 1.00 0.00 H new ATOM 851 N THR A 57 -6.849 4.590 4.955 1.00 0.00 N ATOM 852 CA THR A 57 -7.841 5.599 5.282 1.00 0.00 C ATOM 853 C THR A 57 -8.676 5.158 6.484 1.00 0.00 C ATOM 854 O THR A 57 -8.700 5.836 7.511 1.00 0.00 O ATOM 855 CB THR A 57 -8.676 5.864 4.027 1.00 0.00 C ATOM 856 OG1 THR A 57 -9.870 6.459 4.525 1.00 0.00 O ATOM 857 CG2 THR A 57 -9.151 4.574 3.357 1.00 0.00 C ATOM 0 H THR A 57 -6.456 4.666 4.017 1.00 0.00 H new ATOM 0 HA THR A 57 -7.369 6.535 5.581 1.00 0.00 H new ATOM 0 HB THR A 57 -8.089 6.446 3.316 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.469 6.665 3.777 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.739 4.819 2.472 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.287 3.976 3.065 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.766 4.006 4.055 1.00 0.00 H new ATOM 865 N LYS A 58 -9.340 4.022 6.319 1.00 0.00 N ATOM 866 CA LYS A 58 -10.174 3.483 7.379 1.00 0.00 C ATOM 867 C LYS A 58 -9.552 2.186 7.901 1.00 0.00 C ATOM 868 O LYS A 58 -9.787 1.113 7.346 1.00 0.00 O ATOM 869 CB LYS A 58 -11.617 3.320 6.895 1.00 0.00 C ATOM 870 CG LYS A 58 -12.271 4.684 6.658 1.00 0.00 C ATOM 871 CD LYS A 58 -12.913 5.215 7.941 1.00 0.00 C ATOM 872 CE LYS A 58 -13.683 6.510 7.672 1.00 0.00 C ATOM 873 NZ LYS A 58 -13.953 7.224 8.941 1.00 0.00 N ATOM 0 H LYS A 58 -9.317 3.461 5.467 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.219 4.177 8.218 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.632 2.740 5.972 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.191 2.760 7.633 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -11.524 5.392 6.301 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.027 4.598 5.878 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -13.588 4.465 8.352 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.142 5.395 8.690 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -13.108 7.150 7.003 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.622 6.284 7.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -14.476 8.101 8.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -14.520 6.617 9.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.053 7.456 9.407 1.00 0.00 H new ATOM 887 N LEU A 59 -8.772 2.327 8.961 1.00 0.00 N ATOM 888 CA LEU A 59 -8.114 1.180 9.565 1.00 0.00 C ATOM 889 C LEU A 59 -9.173 0.196 10.066 1.00 0.00 C ATOM 890 O LEU A 59 -8.867 -0.964 10.340 1.00 0.00 O ATOM 891 CB LEU A 59 -7.133 1.634 10.649 1.00 0.00 C ATOM 892 CG LEU A 59 -5.649 1.455 10.327 1.00 0.00 C ATOM 893 CD1 LEU A 59 -5.325 1.977 8.926 1.00 0.00 C ATOM 894 CD2 LEU A 59 -4.773 2.108 11.399 1.00 0.00 C ATOM 0 H LEU A 59 -8.580 3.218 9.418 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.513 0.652 8.825 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.315 2.688 10.857 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.355 1.086 11.565 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.424 0.388 10.333 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.263 1.838 8.722 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -5.911 1.428 8.189 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.570 3.038 8.867 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.722 1.966 11.146 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.994 3.174 11.449 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.979 1.649 12.366 1.00 0.00 H new ATOM 906 N ASP A 60 -10.396 0.694 10.169 1.00 0.00 N ATOM 907 CA ASP A 60 -11.501 -0.127 10.632 1.00 0.00 C ATOM 908 C ASP A 60 -11.835 -1.174 9.568 1.00 0.00 C ATOM 909 O ASP A 60 -12.421 -2.211 9.874 1.00 0.00 O ATOM 910 CB ASP A 60 -12.753 0.719 10.873 1.00 0.00 C ATOM 911 CG ASP A 60 -13.300 0.676 12.300 1.00 0.00 C ATOM 912 OD1 ASP A 60 -12.777 1.449 13.131 1.00 0.00 O ATOM 913 OD2 ASP A 60 -14.227 -0.130 12.529 1.00 0.00 O ATOM 0 H ASP A 60 -10.646 1.656 9.940 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.200 -0.600 11.567 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.528 1.754 10.618 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.535 0.386 10.191 1.00 0.00 H new ATOM 918 N VAL A 61 -11.446 -0.866 8.339 1.00 0.00 N ATOM 919 CA VAL A 61 -11.696 -1.767 7.226 1.00 0.00 C ATOM 920 C VAL A 61 -10.603 -2.836 7.186 1.00 0.00 C ATOM 921 O VAL A 61 -10.886 -4.010 6.949 1.00 0.00 O ATOM 922 CB VAL A 61 -11.805 -0.972 5.924 1.00 0.00 C ATOM 923 CG1 VAL A 61 -12.504 0.369 6.155 1.00 0.00 C ATOM 924 CG2 VAL A 61 -10.428 -0.771 5.288 1.00 0.00 C ATOM 0 H VAL A 61 -10.959 -0.005 8.089 1.00 0.00 H new ATOM 0 HA VAL A 61 -12.648 -2.282 7.357 1.00 0.00 H new ATOM 0 HB VAL A 61 -12.414 -1.550 5.229 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -12.568 0.913 5.213 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -13.508 0.194 6.542 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -11.935 0.957 6.875 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -10.534 -0.203 4.364 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -9.785 -0.225 5.978 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.983 -1.742 5.069 1.00 0.00 H new ATOM 934 N VAL A 62 -9.377 -2.392 7.421 1.00 0.00 N ATOM 935 CA VAL A 62 -8.239 -3.297 7.415 1.00 0.00 C ATOM 936 C VAL A 62 -8.175 -4.038 8.752 1.00 0.00 C ATOM 937 O VAL A 62 -7.974 -5.251 8.783 1.00 0.00 O ATOM 938 CB VAL A 62 -6.959 -2.522 7.099 1.00 0.00 C ATOM 939 CG1 VAL A 62 -6.684 -2.511 5.593 1.00 0.00 C ATOM 940 CG2 VAL A 62 -7.025 -1.099 7.654 1.00 0.00 C ATOM 0 H VAL A 62 -9.146 -1.418 7.617 1.00 0.00 H new ATOM 0 HA VAL A 62 -8.351 -4.048 6.633 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.130 -3.032 7.589 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.769 -1.954 5.394 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.570 -3.535 5.236 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.517 -2.037 5.074 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.102 -0.572 7.414 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.869 -0.573 7.208 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -7.151 -1.136 8.736 1.00 0.00 H new ATOM 950 N ASP A 63 -8.351 -3.278 9.823 1.00 0.00 N ATOM 951 CA ASP A 63 -8.316 -3.847 11.158 1.00 0.00 C ATOM 952 C ASP A 63 -9.636 -3.549 11.870 1.00 0.00 C ATOM 953 O ASP A 63 -9.858 -2.433 12.334 1.00 0.00 O ATOM 954 CB ASP A 63 -7.183 -3.237 11.988 1.00 0.00 C ATOM 955 CG ASP A 63 -7.277 -1.724 12.195 1.00 0.00 C ATOM 956 OD1 ASP A 63 -7.926 -1.326 13.186 1.00 0.00 O ATOM 957 OD2 ASP A 63 -6.696 -1.000 11.357 1.00 0.00 O ATOM 0 H ASP A 63 -8.518 -2.272 9.792 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.155 -4.921 11.062 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.166 -3.722 12.964 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.234 -3.464 11.502 1.00 0.00 H new ATOM 962 N PRO A 64 -10.502 -4.598 11.938 1.00 0.00 N ATOM 963 CA PRO A 64 -11.796 -4.459 12.584 1.00 0.00 C ATOM 964 C PRO A 64 -11.647 -4.441 14.108 1.00 0.00 C ATOM 965 O PRO A 64 -12.295 -3.648 14.789 1.00 0.00 O ATOM 966 CB PRO A 64 -12.615 -5.637 12.083 1.00 0.00 C ATOM 967 CG PRO A 64 -11.612 -6.643 11.542 1.00 0.00 C ATOM 968 CD PRO A 64 -10.273 -5.936 11.400 1.00 0.00 C ATOM 0 HA PRO A 64 -12.288 -3.517 12.342 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -13.208 -6.071 12.888 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.313 -5.325 11.306 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -11.524 -7.495 12.216 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -11.943 -7.032 10.579 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -9.490 -6.456 11.952 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.955 -5.895 10.358 1.00 0.00 H new ATOM 976 N ASP A 65 -10.788 -5.323 14.598 1.00 0.00 N ATOM 977 CA ASP A 65 -10.546 -5.417 16.027 1.00 0.00 C ATOM 978 C ASP A 65 -9.124 -4.943 16.332 1.00 0.00 C ATOM 979 O ASP A 65 -8.698 -4.949 17.486 1.00 0.00 O ATOM 980 CB ASP A 65 -10.677 -6.862 16.514 1.00 0.00 C ATOM 981 CG ASP A 65 -11.189 -7.017 17.948 1.00 0.00 C ATOM 982 OD1 ASP A 65 -11.652 -5.995 18.498 1.00 0.00 O ATOM 983 OD2 ASP A 65 -11.108 -8.155 18.458 1.00 0.00 O ATOM 0 H ASP A 65 -10.251 -5.979 14.030 1.00 0.00 H new ATOM 0 HA ASP A 65 -11.284 -4.796 16.535 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -11.351 -7.396 15.844 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -9.703 -7.345 16.438 1.00 0.00 H new ATOM 988 N GLY A 66 -8.428 -4.546 15.276 1.00 0.00 N ATOM 989 CA GLY A 66 -7.062 -4.069 15.416 1.00 0.00 C ATOM 990 C GLY A 66 -6.064 -5.113 14.913 1.00 0.00 C ATOM 991 O GLY A 66 -5.023 -5.331 15.531 1.00 0.00 O ATOM 0 H GLY A 66 -8.784 -4.545 14.320 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.937 -3.142 14.856 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.858 -3.840 16.462 1.00 0.00 H new ATOM 995 N ASN A 67 -6.416 -5.732 13.794 1.00 0.00 N ATOM 996 CA ASN A 67 -5.564 -6.747 13.201 1.00 0.00 C ATOM 997 C ASN A 67 -4.157 -6.177 13.008 1.00 0.00 C ATOM 998 O ASN A 67 -3.167 -6.884 13.187 1.00 0.00 O ATOM 999 CB ASN A 67 -6.092 -7.176 11.830 1.00 0.00 C ATOM 1000 CG ASN A 67 -5.089 -8.085 11.117 1.00 0.00 C ATOM 1001 OD1 ASN A 67 -4.105 -7.432 10.508 1.00 0.00 O flip ATOM 1002 ND2 ASN A 67 -5.201 -9.300 11.120 1.00 0.00 N flip ATOM 0 H ASN A 67 -7.280 -5.549 13.284 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.551 -7.608 13.869 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.041 -7.698 11.949 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -6.288 -6.295 11.219 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.982 -9.739 11.608 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.514 -9.877 10.635 1.00 0.00 H new ATOM 1009 N LEU A 68 -4.113 -4.903 12.644 1.00 0.00 N ATOM 1010 CA LEU A 68 -2.844 -4.231 12.425 1.00 0.00 C ATOM 1011 C LEU A 68 -3.094 -2.736 12.215 1.00 0.00 C ATOM 1012 O LEU A 68 -4.230 -2.273 12.309 1.00 0.00 O ATOM 1013 CB LEU A 68 -2.078 -4.893 11.278 1.00 0.00 C ATOM 1014 CG LEU A 68 -2.339 -4.325 9.882 1.00 0.00 C ATOM 1015 CD1 LEU A 68 -3.636 -3.516 9.852 1.00 0.00 C ATOM 1016 CD2 LEU A 68 -1.142 -3.509 9.389 1.00 0.00 C ATOM 0 H LEU A 68 -4.936 -4.319 12.495 1.00 0.00 H new ATOM 0 HA LEU A 68 -2.205 -4.328 13.302 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.011 -4.815 11.487 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.324 -5.955 11.268 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.465 -5.160 9.192 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.797 -3.124 8.848 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.472 -4.158 10.129 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.565 -2.688 10.558 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.354 -3.117 8.394 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.959 -2.681 10.074 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.259 -4.147 9.347 1.00 0.00 H new ATOM 1028 N HIS A 69 -2.014 -2.021 11.937 1.00 0.00 N ATOM 1029 CA HIS A 69 -2.102 -0.588 11.714 1.00 0.00 C ATOM 1030 C HIS A 69 -1.066 -0.168 10.668 1.00 0.00 C ATOM 1031 O HIS A 69 0.135 -0.329 10.878 1.00 0.00 O ATOM 1032 CB HIS A 69 -1.959 0.176 13.030 1.00 0.00 C ATOM 1033 CG HIS A 69 -3.157 0.061 13.941 1.00 0.00 C ATOM 1034 ND1 HIS A 69 -3.513 -1.123 14.565 1.00 0.00 N ATOM 1035 CD2 HIS A 69 -4.076 0.991 14.328 1.00 0.00 C ATOM 1036 CE1 HIS A 69 -4.599 -0.903 15.291 1.00 0.00 C ATOM 1037 NE2 HIS A 69 -4.948 0.409 15.142 1.00 0.00 N ATOM 0 H HIS A 69 -1.073 -2.407 11.861 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.087 -0.337 11.321 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -1.078 -0.191 13.557 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.783 1.229 12.810 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -4.092 2.027 14.023 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.117 -1.633 15.895 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.746 0.866 15.583 1.00 0.00 H new ATOM 1046 N HIS A 70 -1.570 0.363 9.563 1.00 0.00 N ATOM 1047 CA HIS A 70 -0.705 0.808 8.485 1.00 0.00 C ATOM 1048 C HIS A 70 0.502 1.549 9.066 1.00 0.00 C ATOM 1049 O HIS A 70 0.364 2.306 10.026 1.00 0.00 O ATOM 1050 CB HIS A 70 -1.485 1.649 7.473 1.00 0.00 C ATOM 1051 CG HIS A 70 -0.851 1.709 6.103 1.00 0.00 C ATOM 1052 ND1 HIS A 70 -0.249 2.851 5.606 1.00 0.00 N ATOM 1053 CD2 HIS A 70 -0.730 0.756 5.135 1.00 0.00 C ATOM 1054 CE1 HIS A 70 0.210 2.587 4.391 1.00 0.00 C ATOM 1055 NE2 HIS A 70 -0.091 1.288 4.101 1.00 0.00 N ATOM 0 H HIS A 70 -2.567 0.495 9.392 1.00 0.00 H new ATOM 0 HA HIS A 70 -0.328 -0.056 7.938 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -2.492 1.243 7.378 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -1.586 2.663 7.860 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -0.172 3.744 6.092 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -1.093 -0.259 5.199 1.00 0.00 H new ATOM 0 HE1 HIS A 70 0.730 3.278 3.744 1.00 0.00 H new ATOM 1064 N GLY A 71 1.654 1.305 8.461 1.00 0.00 N ATOM 1065 CA GLY A 71 2.882 1.939 8.907 1.00 0.00 C ATOM 1066 C GLY A 71 3.460 1.220 10.128 1.00 0.00 C ATOM 1067 O GLY A 71 4.660 0.959 10.187 1.00 0.00 O ATOM 0 H GLY A 71 1.763 0.677 7.665 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.613 1.934 8.098 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.687 2.983 9.154 1.00 0.00 H new ATOM 1071 N ASN A 72 2.577 0.919 11.070 1.00 0.00 N ATOM 1072 CA ASN A 72 2.985 0.235 12.284 1.00 0.00 C ATOM 1073 C ASN A 72 2.098 -0.994 12.495 1.00 0.00 C ATOM 1074 O ASN A 72 1.132 -0.944 13.256 1.00 0.00 O ATOM 1075 CB ASN A 72 2.832 1.143 13.505 1.00 0.00 C ATOM 1076 CG ASN A 72 3.191 0.397 14.793 1.00 0.00 C ATOM 1077 OD1 ASN A 72 4.435 0.613 15.213 1.00 0.00 O flip ATOM 1078 ND2 ASN A 72 2.394 -0.325 15.366 1.00 0.00 N flip ATOM 0 H ASN A 72 1.582 1.136 11.016 1.00 0.00 H new ATOM 0 HA ASN A 72 4.031 -0.050 12.175 1.00 0.00 H new ATOM 0 HB2 ASN A 72 3.475 2.017 13.396 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.806 1.507 13.565 1.00 0.00 H new ATOM 0 HD21 ASN A 72 1.454 -0.447 14.989 1.00 0.00 H new ATOM 0 HD22 ASN A 72 2.667 -0.807 16.222 1.00 0.00 H new ATOM 1085 N ALA A 73 2.456 -2.068 11.807 1.00 0.00 N ATOM 1086 CA ALA A 73 1.704 -3.307 11.908 1.00 0.00 C ATOM 1087 C ALA A 73 1.838 -3.865 13.326 1.00 0.00 C ATOM 1088 O ALA A 73 2.946 -3.976 13.852 1.00 0.00 O ATOM 1089 CB ALA A 73 2.196 -4.291 10.844 1.00 0.00 C ATOM 0 H ALA A 73 3.257 -2.106 11.177 1.00 0.00 H new ATOM 0 HA ALA A 73 0.645 -3.130 11.723 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.632 -5.221 10.920 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.052 -3.858 9.854 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.255 -4.496 11.000 1.00 0.00 H new ATOM 1095 N LYS A 74 0.695 -4.202 13.906 1.00 0.00 N ATOM 1096 CA LYS A 74 0.672 -4.746 15.254 1.00 0.00 C ATOM 1097 C LYS A 74 1.464 -6.054 15.285 1.00 0.00 C ATOM 1098 O LYS A 74 1.880 -6.557 14.242 1.00 0.00 O ATOM 1099 CB LYS A 74 -0.770 -4.887 15.749 1.00 0.00 C ATOM 1100 CG LYS A 74 -0.890 -4.458 17.212 1.00 0.00 C ATOM 1101 CD LYS A 74 -2.179 -4.996 17.837 1.00 0.00 C ATOM 1102 CE LYS A 74 -1.967 -5.355 19.309 1.00 0.00 C ATOM 1103 NZ LYS A 74 -2.675 -4.395 20.185 1.00 0.00 N ATOM 0 H LYS A 74 -0.221 -4.109 13.468 1.00 0.00 H new ATOM 0 HA LYS A 74 1.159 -4.063 15.950 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -1.431 -4.279 15.132 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -1.096 -5.922 15.641 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.030 -4.823 17.773 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -0.876 -3.370 17.278 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.968 -4.249 17.751 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.513 -5.877 17.289 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.330 -6.365 19.499 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.902 -5.350 19.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -2.520 -4.654 21.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.310 -3.436 20.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.693 -4.420 19.975 1.00 0.00 H new ATOM 1117 N ASP A 75 1.647 -6.570 16.492 1.00 0.00 N ATOM 1118 CA ASP A 75 2.381 -7.810 16.672 1.00 0.00 C ATOM 1119 C ASP A 75 1.551 -8.973 16.126 1.00 0.00 C ATOM 1120 O ASP A 75 1.992 -10.121 16.152 1.00 0.00 O ATOM 1121 CB ASP A 75 2.656 -8.078 18.153 1.00 0.00 C ATOM 1122 CG ASP A 75 4.032 -7.631 18.647 1.00 0.00 C ATOM 1123 OD1 ASP A 75 4.356 -6.444 18.428 1.00 0.00 O ATOM 1124 OD2 ASP A 75 4.731 -8.488 19.233 1.00 0.00 O ATOM 0 H ASP A 75 1.299 -6.151 17.355 1.00 0.00 H new ATOM 0 HA ASP A 75 3.328 -7.721 16.141 1.00 0.00 H new ATOM 0 HB2 ASP A 75 1.893 -7.574 18.746 1.00 0.00 H new ATOM 0 HB3 ASP A 75 2.550 -9.147 18.339 1.00 0.00 H new ATOM 1129 N PHE A 76 0.364 -8.637 15.645 1.00 0.00 N ATOM 1130 CA PHE A 76 -0.534 -9.639 15.095 1.00 0.00 C ATOM 1131 C PHE A 76 -0.232 -9.890 13.615 1.00 0.00 C ATOM 1132 O PHE A 76 -0.168 -11.038 13.177 1.00 0.00 O ATOM 1133 CB PHE A 76 -1.955 -9.088 15.227 1.00 0.00 C ATOM 1134 CG PHE A 76 -3.039 -10.167 15.269 1.00 0.00 C ATOM 1135 CD1 PHE A 76 -3.234 -10.977 14.192 1.00 0.00 C ATOM 1136 CD2 PHE A 76 -3.805 -10.318 16.381 1.00 0.00 C ATOM 1137 CE1 PHE A 76 -4.240 -11.979 14.232 1.00 0.00 C ATOM 1138 CE2 PHE A 76 -4.811 -11.320 16.420 1.00 0.00 C ATOM 1139 CZ PHE A 76 -5.006 -12.129 15.345 1.00 0.00 C ATOM 0 H PHE A 76 0.002 -7.684 15.624 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.413 -10.581 15.629 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -2.018 -8.488 16.135 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -2.154 -8.420 14.389 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -2.625 -10.858 13.308 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -3.649 -9.676 17.235 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -4.396 -12.622 13.378 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -5.421 -11.439 17.303 1.00 0.00 H new ATOM 0 HZ PHE A 76 -5.770 -12.892 15.375 1.00 0.00 H new ATOM 1149 N ALA A 77 -0.055 -8.798 12.886 1.00 0.00 N ATOM 1150 CA ALA A 77 0.237 -8.886 11.466 1.00 0.00 C ATOM 1151 C ALA A 77 1.628 -9.497 11.273 1.00 0.00 C ATOM 1152 O ALA A 77 1.770 -10.529 10.620 1.00 0.00 O ATOM 1153 CB ALA A 77 0.118 -7.499 10.833 1.00 0.00 C ATOM 0 H ALA A 77 -0.108 -7.848 13.252 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.482 -9.535 10.966 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.337 -7.565 9.767 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.895 -7.121 10.972 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.827 -6.820 11.308 1.00 0.00 H new ATOM 1159 N MET A 78 2.616 -8.833 11.853 1.00 0.00 N ATOM 1160 CA MET A 78 3.990 -9.297 11.753 1.00 0.00 C ATOM 1161 C MET A 78 4.228 -10.500 12.667 1.00 0.00 C ATOM 1162 O MET A 78 5.266 -10.591 13.321 1.00 0.00 O ATOM 1163 CB MET A 78 4.941 -8.164 12.142 1.00 0.00 C ATOM 1164 CG MET A 78 4.616 -7.630 13.537 1.00 0.00 C ATOM 1165 SD MET A 78 5.762 -8.300 14.730 1.00 0.00 S ATOM 1166 CE MET A 78 4.700 -9.476 15.553 1.00 0.00 C ATOM 0 H MET A 78 2.493 -7.977 12.394 1.00 0.00 H new ATOM 0 HA MET A 78 4.178 -9.603 10.724 1.00 0.00 H new ATOM 0 HB2 MET A 78 5.970 -8.523 12.117 1.00 0.00 H new ATOM 0 HB3 MET A 78 4.868 -7.357 11.413 1.00 0.00 H new ATOM 0 HG2 MET A 78 4.670 -6.541 13.540 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.596 -7.899 13.810 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.559 -9.175 16.591 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.733 -9.507 15.050 1.00 0.00 H new ATOM 0 HE3 MET A 78 5.158 -10.465 15.521 1.00 0.00 H new ATOM 1176 N LYS A 79 3.252 -11.395 12.681 1.00 0.00 N ATOM 1177 CA LYS A 79 3.344 -12.590 13.504 1.00 0.00 C ATOM 1178 C LYS A 79 2.589 -13.733 12.821 1.00 0.00 C ATOM 1179 O LYS A 79 3.153 -14.800 12.586 1.00 0.00 O ATOM 1180 CB LYS A 79 2.864 -12.299 14.927 1.00 0.00 C ATOM 1181 CG LYS A 79 2.903 -13.563 15.789 1.00 0.00 C ATOM 1182 CD LYS A 79 1.747 -13.580 16.789 1.00 0.00 C ATOM 1183 CE LYS A 79 1.335 -15.015 17.128 1.00 0.00 C ATOM 1184 NZ LYS A 79 1.621 -15.315 18.548 1.00 0.00 N ATOM 0 H LYS A 79 2.393 -11.317 12.136 1.00 0.00 H new ATOM 0 HA LYS A 79 4.382 -12.907 13.602 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.492 -11.529 15.376 1.00 0.00 H new ATOM 0 HB3 LYS A 79 1.848 -11.905 14.898 1.00 0.00 H new ATOM 0 HG2 LYS A 79 2.849 -14.445 15.150 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.852 -13.614 16.323 1.00 0.00 H new ATOM 0 HD2 LYS A 79 2.041 -13.058 17.699 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.895 -13.042 16.374 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.272 -15.151 16.929 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.872 -15.715 16.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.335 -16.292 18.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.639 -15.205 18.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.089 -14.659 19.155 1.00 0.00 H new ATOM 1198 N HIS A 80 1.325 -13.470 12.524 1.00 0.00 N ATOM 1199 CA HIS A 80 0.486 -14.462 11.874 1.00 0.00 C ATOM 1200 C HIS A 80 0.960 -14.669 10.432 1.00 0.00 C ATOM 1201 O HIS A 80 0.454 -15.542 9.728 1.00 0.00 O ATOM 1202 CB HIS A 80 -0.990 -14.071 11.963 1.00 0.00 C ATOM 1203 CG HIS A 80 -1.427 -13.081 10.910 1.00 0.00 C ATOM 1204 ND1 HIS A 80 -0.595 -12.090 10.419 1.00 0.00 N ATOM 1205 CD2 HIS A 80 -2.618 -12.942 10.257 1.00 0.00 C ATOM 1206 CE1 HIS A 80 -1.263 -11.392 9.515 1.00 0.00 C ATOM 1207 NE2 HIS A 80 -2.517 -11.920 9.417 1.00 0.00 N ATOM 0 H HIS A 80 0.861 -12.583 12.722 1.00 0.00 H new ATOM 0 HA HIS A 80 0.579 -15.417 12.392 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.600 -14.971 11.877 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -1.184 -13.648 12.948 1.00 0.00 H new ATOM 0 HD1 HIS A 80 0.370 -11.926 10.706 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -3.493 -13.559 10.400 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -0.882 -10.552 8.953 1.00 0.00 H new ATOM 1216 N GLY A 81 1.924 -13.852 10.037 1.00 0.00 N ATOM 1217 CA GLY A 81 2.471 -13.933 8.694 1.00 0.00 C ATOM 1218 C GLY A 81 3.892 -13.370 8.645 1.00 0.00 C ATOM 1219 O GLY A 81 4.239 -12.629 7.726 1.00 0.00 O ATOM 0 H GLY A 81 2.341 -13.130 10.624 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.476 -14.971 8.362 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.833 -13.380 8.004 1.00 0.00 H new ATOM 1223 N ALA A 82 4.678 -13.744 9.645 1.00 0.00 N ATOM 1224 CA ALA A 82 6.054 -13.284 9.727 1.00 0.00 C ATOM 1225 C ALA A 82 6.974 -14.486 9.958 1.00 0.00 C ATOM 1226 O ALA A 82 6.694 -15.333 10.805 1.00 0.00 O ATOM 1227 CB ALA A 82 6.177 -12.235 10.833 1.00 0.00 C ATOM 0 H ALA A 82 4.388 -14.360 10.405 1.00 0.00 H new ATOM 0 HA ALA A 82 6.357 -12.810 8.794 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.209 -11.890 10.894 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.525 -11.391 10.608 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.884 -12.675 11.786 1.00 0.00 H new ATOM 1233 N ASP A 83 8.053 -14.520 9.190 1.00 0.00 N ATOM 1234 CA ASP A 83 9.016 -15.602 9.300 1.00 0.00 C ATOM 1235 C ASP A 83 9.956 -15.324 10.475 1.00 0.00 C ATOM 1236 O ASP A 83 10.349 -14.182 10.703 1.00 0.00 O ATOM 1237 CB ASP A 83 9.864 -15.717 8.033 1.00 0.00 C ATOM 1238 CG ASP A 83 9.357 -16.731 7.005 1.00 0.00 C ATOM 1239 OD1 ASP A 83 8.149 -17.048 7.068 1.00 0.00 O ATOM 1240 OD2 ASP A 83 10.188 -17.165 6.178 1.00 0.00 O ATOM 0 H ASP A 83 8.282 -13.815 8.489 1.00 0.00 H new ATOM 0 HA ASP A 83 8.464 -16.530 9.449 1.00 0.00 H new ATOM 0 HB2 ASP A 83 9.916 -14.737 7.559 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.881 -15.988 8.318 1.00 0.00 H new ATOM 1245 N GLU A 84 10.292 -16.390 11.188 1.00 0.00 N ATOM 1246 CA GLU A 84 11.178 -16.275 12.333 1.00 0.00 C ATOM 1247 C GLU A 84 12.335 -15.324 12.015 1.00 0.00 C ATOM 1248 O GLU A 84 12.846 -14.645 12.905 1.00 0.00 O ATOM 1249 CB GLU A 84 11.699 -17.648 12.762 1.00 0.00 C ATOM 1250 CG GLU A 84 11.437 -17.894 14.249 1.00 0.00 C ATOM 1251 CD GLU A 84 10.367 -18.971 14.446 1.00 0.00 C ATOM 1252 OE1 GLU A 84 9.312 -18.849 13.790 1.00 0.00 O ATOM 1253 OE2 GLU A 84 10.631 -19.891 15.250 1.00 0.00 O ATOM 0 H GLU A 84 9.966 -17.337 10.994 1.00 0.00 H new ATOM 0 HA GLU A 84 10.611 -15.861 13.167 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.215 -18.425 12.170 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.768 -17.714 12.562 1.00 0.00 H new ATOM 0 HG2 GLU A 84 12.361 -18.200 14.739 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.117 -16.967 14.724 1.00 0.00 H new ATOM 1260 N THR A 85 12.712 -15.307 10.745 1.00 0.00 N ATOM 1261 CA THR A 85 13.798 -14.449 10.300 1.00 0.00 C ATOM 1262 C THR A 85 13.331 -12.996 10.215 1.00 0.00 C ATOM 1263 O THR A 85 14.039 -12.086 10.640 1.00 0.00 O ATOM 1264 CB THR A 85 14.318 -15.000 8.970 1.00 0.00 C ATOM 1265 OG1 THR A 85 15.642 -14.483 8.874 1.00 0.00 O ATOM 1266 CG2 THR A 85 13.594 -14.398 7.764 1.00 0.00 C ATOM 0 H THR A 85 12.286 -15.872 10.011 1.00 0.00 H new ATOM 0 HA THR A 85 14.621 -14.449 11.014 1.00 0.00 H new ATOM 0 HB THR A 85 14.205 -16.084 8.957 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.054 -14.793 8.041 1.00 0.00 H new ATOM 0 HG21 THR A 85 14.001 -14.822 6.846 1.00 0.00 H new ATOM 0 HG22 THR A 85 12.530 -14.625 7.828 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.735 -13.317 7.757 1.00 0.00 H new ATOM 1274 N MET A 86 12.140 -12.822 9.661 1.00 0.00 N ATOM 1275 CA MET A 86 11.568 -11.494 9.516 1.00 0.00 C ATOM 1276 C MET A 86 11.531 -10.763 10.859 1.00 0.00 C ATOM 1277 O MET A 86 11.562 -9.535 10.902 1.00 0.00 O ATOM 1278 CB MET A 86 10.149 -11.607 8.956 1.00 0.00 C ATOM 1279 CG MET A 86 9.122 -11.727 10.084 1.00 0.00 C ATOM 1280 SD MET A 86 8.553 -10.105 10.566 1.00 0.00 S ATOM 1281 CE MET A 86 8.346 -10.359 12.320 1.00 0.00 C ATOM 0 H MET A 86 11.555 -13.579 9.307 1.00 0.00 H new ATOM 0 HA MET A 86 12.194 -10.923 8.830 1.00 0.00 H new ATOM 0 HB2 MET A 86 9.924 -10.732 8.346 1.00 0.00 H new ATOM 0 HB3 MET A 86 10.080 -12.477 8.303 1.00 0.00 H new ATOM 0 HG2 MET A 86 8.279 -12.335 9.756 1.00 0.00 H new ATOM 0 HG3 MET A 86 9.567 -12.235 10.940 1.00 0.00 H new ATOM 0 HE1 MET A 86 7.283 -10.390 12.560 1.00 0.00 H new ATOM 0 HE2 MET A 86 8.811 -11.302 12.608 1.00 0.00 H new ATOM 0 HE3 MET A 86 8.817 -9.541 12.864 1.00 0.00 H new ATOM 1291 N ALA A 87 11.463 -11.550 11.922 1.00 0.00 N ATOM 1292 CA ALA A 87 11.421 -10.992 13.264 1.00 0.00 C ATOM 1293 C ALA A 87 12.604 -10.041 13.455 1.00 0.00 C ATOM 1294 O ALA A 87 12.419 -8.874 13.795 1.00 0.00 O ATOM 1295 CB ALA A 87 11.413 -12.128 14.289 1.00 0.00 C ATOM 0 H ALA A 87 11.436 -12.569 11.882 1.00 0.00 H new ATOM 0 HA ALA A 87 10.508 -10.414 13.411 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.382 -11.710 15.295 1.00 0.00 H new ATOM 0 HB2 ALA A 87 10.536 -12.756 14.129 1.00 0.00 H new ATOM 0 HB3 ALA A 87 12.315 -12.728 14.174 1.00 0.00 H new ATOM 1301 N GLN A 88 13.793 -10.576 13.226 1.00 0.00 N ATOM 1302 CA GLN A 88 15.008 -9.790 13.368 1.00 0.00 C ATOM 1303 C GLN A 88 15.416 -9.195 12.019 1.00 0.00 C ATOM 1304 O GLN A 88 15.796 -8.027 11.941 1.00 0.00 O ATOM 1305 CB GLN A 88 16.140 -10.631 13.962 1.00 0.00 C ATOM 1306 CG GLN A 88 17.418 -9.803 14.111 1.00 0.00 C ATOM 1307 CD GLN A 88 18.537 -10.360 13.229 1.00 0.00 C ATOM 1308 OE1 GLN A 88 18.150 -10.671 11.995 1.00 0.00 O flip ATOM 1309 NE2 GLN A 88 19.678 -10.496 13.641 1.00 0.00 N flip ATOM 0 H GLN A 88 13.942 -11.545 12.943 1.00 0.00 H new ATOM 0 HA GLN A 88 14.808 -8.971 14.059 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.838 -11.018 14.935 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.333 -11.492 13.322 1.00 0.00 H new ATOM 0 HG2 GLN A 88 17.218 -8.766 13.840 1.00 0.00 H new ATOM 0 HG3 GLN A 88 17.737 -9.804 15.153 1.00 0.00 H new ATOM 0 HE21 GLN A 88 19.908 -10.237 14.600 1.00 0.00 H new ATOM 0 HE22 GLN A 88 20.401 -10.868 13.026 1.00 0.00 H new ATOM 1318 N GLN A 89 15.323 -10.024 10.990 1.00 0.00 N ATOM 1319 CA GLN A 89 15.677 -9.594 9.649 1.00 0.00 C ATOM 1320 C GLN A 89 15.101 -8.206 9.367 1.00 0.00 C ATOM 1321 O GLN A 89 15.845 -7.265 9.096 1.00 0.00 O ATOM 1322 CB GLN A 89 15.202 -10.608 8.604 1.00 0.00 C ATOM 1323 CG GLN A 89 16.137 -11.818 8.551 1.00 0.00 C ATOM 1324 CD GLN A 89 17.551 -11.402 8.138 1.00 0.00 C ATOM 1325 OE1 GLN A 89 17.760 -10.411 7.460 1.00 0.00 O ATOM 1326 NE2 GLN A 89 18.505 -12.213 8.586 1.00 0.00 N ATOM 0 H GLN A 89 15.007 -10.992 11.058 1.00 0.00 H new ATOM 0 HA GLN A 89 16.763 -9.535 9.583 1.00 0.00 H new ATOM 0 HB2 GLN A 89 14.190 -10.936 8.843 1.00 0.00 H new ATOM 0 HB3 GLN A 89 15.160 -10.133 7.624 1.00 0.00 H new ATOM 0 HG2 GLN A 89 16.167 -12.302 9.527 1.00 0.00 H new ATOM 0 HG3 GLN A 89 15.749 -12.551 7.844 1.00 0.00 H new ATOM 0 HE21 GLN A 89 18.259 -13.027 9.150 1.00 0.00 H new ATOM 0 HE22 GLN A 89 19.482 -12.021 8.366 1.00 0.00 H new ATOM 1335 N LEU A 90 13.781 -8.122 9.439 1.00 0.00 N ATOM 1336 CA LEU A 90 13.097 -6.864 9.194 1.00 0.00 C ATOM 1337 C LEU A 90 13.802 -5.746 9.964 1.00 0.00 C ATOM 1338 O LEU A 90 14.014 -4.658 9.431 1.00 0.00 O ATOM 1339 CB LEU A 90 11.607 -6.991 9.522 1.00 0.00 C ATOM 1340 CG LEU A 90 10.792 -7.898 8.599 1.00 0.00 C ATOM 1341 CD1 LEU A 90 9.292 -7.654 8.775 1.00 0.00 C ATOM 1342 CD2 LEU A 90 11.231 -7.736 7.142 1.00 0.00 C ATOM 0 H LEU A 90 13.167 -8.905 9.664 1.00 0.00 H new ATOM 0 HA LEU A 90 13.147 -6.604 8.137 1.00 0.00 H new ATOM 0 HB2 LEU A 90 11.510 -7.363 10.542 1.00 0.00 H new ATOM 0 HB3 LEU A 90 11.165 -5.995 9.503 1.00 0.00 H new ATOM 0 HG LEU A 90 10.986 -8.933 8.881 1.00 0.00 H new ATOM 0 HD11 LEU A 90 8.736 -8.312 8.107 1.00 0.00 H new ATOM 0 HD12 LEU A 90 9.008 -7.861 9.807 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.062 -6.616 8.536 1.00 0.00 H new ATOM 0 HD21 LEU A 90 10.635 -8.392 6.507 1.00 0.00 H new ATOM 0 HD22 LEU A 90 11.086 -6.701 6.831 1.00 0.00 H new ATOM 0 HD23 LEU A 90 12.285 -7.999 7.048 1.00 0.00 H new ATOM 1354 N VAL A 91 14.148 -6.052 11.206 1.00 0.00 N ATOM 1355 CA VAL A 91 14.825 -5.087 12.055 1.00 0.00 C ATOM 1356 C VAL A 91 16.113 -4.628 11.369 1.00 0.00 C ATOM 1357 O VAL A 91 16.698 -3.616 11.752 1.00 0.00 O ATOM 1358 CB VAL A 91 15.066 -5.688 13.441 1.00 0.00 C ATOM 1359 CG1 VAL A 91 15.347 -4.593 14.471 1.00 0.00 C ATOM 1360 CG2 VAL A 91 13.885 -6.559 13.874 1.00 0.00 C ATOM 0 H VAL A 91 13.972 -6.956 11.645 1.00 0.00 H new ATOM 0 HA VAL A 91 14.203 -4.204 12.203 1.00 0.00 H new ATOM 0 HB VAL A 91 15.948 -6.326 13.381 1.00 0.00 H new ATOM 0 HG11 VAL A 91 15.515 -5.047 15.448 1.00 0.00 H new ATOM 0 HG12 VAL A 91 16.234 -4.033 14.174 1.00 0.00 H new ATOM 0 HG13 VAL A 91 14.493 -3.918 14.526 1.00 0.00 H new ATOM 0 HG21 VAL A 91 14.082 -6.974 14.862 1.00 0.00 H new ATOM 0 HG22 VAL A 91 12.980 -5.953 13.909 1.00 0.00 H new ATOM 0 HG23 VAL A 91 13.751 -7.371 13.160 1.00 0.00 H new ATOM 1370 N ASP A 92 16.519 -5.396 10.368 1.00 0.00 N ATOM 1371 CA ASP A 92 17.727 -5.079 9.625 1.00 0.00 C ATOM 1372 C ASP A 92 17.440 -3.932 8.656 1.00 0.00 C ATOM 1373 O ASP A 92 17.902 -2.811 8.861 1.00 0.00 O ATOM 1374 CB ASP A 92 18.201 -6.283 8.807 1.00 0.00 C ATOM 1375 CG ASP A 92 18.341 -7.587 9.596 1.00 0.00 C ATOM 1376 OD1 ASP A 92 17.966 -7.572 10.788 1.00 0.00 O ATOM 1377 OD2 ASP A 92 18.819 -8.569 8.988 1.00 0.00 O ATOM 0 H ASP A 92 16.033 -6.236 10.054 1.00 0.00 H new ATOM 0 HA ASP A 92 18.500 -4.802 10.341 1.00 0.00 H new ATOM 0 HB2 ASP A 92 17.500 -6.445 7.988 1.00 0.00 H new ATOM 0 HB3 ASP A 92 19.165 -6.042 8.359 1.00 0.00 H new ATOM 1382 N ILE A 93 16.679 -4.252 7.619 1.00 0.00 N ATOM 1383 CA ILE A 93 16.324 -3.261 6.617 1.00 0.00 C ATOM 1384 C ILE A 93 15.538 -2.130 7.280 1.00 0.00 C ATOM 1385 O ILE A 93 15.822 -0.955 7.054 1.00 0.00 O ATOM 1386 CB ILE A 93 15.589 -3.920 5.449 1.00 0.00 C ATOM 1387 CG1 ILE A 93 14.077 -3.915 5.681 1.00 0.00 C ATOM 1388 CG2 ILE A 93 16.123 -5.330 5.188 1.00 0.00 C ATOM 1389 CD1 ILE A 93 13.667 -5.029 6.648 1.00 0.00 C ATOM 0 H ILE A 93 16.299 -5.183 7.451 1.00 0.00 H new ATOM 0 HA ILE A 93 17.221 -2.815 6.187 1.00 0.00 H new ATOM 0 HB ILE A 93 15.780 -3.333 4.551 1.00 0.00 H new ATOM 0 HG12 ILE A 93 13.770 -2.949 6.082 1.00 0.00 H new ATOM 0 HG13 ILE A 93 13.559 -4.045 4.731 1.00 0.00 H new ATOM 0 HG21 ILE A 93 15.583 -5.775 4.352 1.00 0.00 H new ATOM 0 HG22 ILE A 93 17.185 -5.278 4.947 1.00 0.00 H new ATOM 0 HG23 ILE A 93 15.983 -5.943 6.078 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.587 -5.003 6.796 1.00 0.00 H new ATOM 0 HD12 ILE A 93 13.954 -5.995 6.233 1.00 0.00 H new ATOM 0 HD13 ILE A 93 14.168 -4.883 7.605 1.00 0.00 H new ATOM 1401 N ILE A 94 14.564 -2.523 8.088 1.00 0.00 N ATOM 1402 CA ILE A 94 13.734 -1.557 8.787 1.00 0.00 C ATOM 1403 C ILE A 94 14.630 -0.575 9.545 1.00 0.00 C ATOM 1404 O ILE A 94 14.251 0.575 9.763 1.00 0.00 O ATOM 1405 CB ILE A 94 12.712 -2.270 9.675 1.00 0.00 C ATOM 1406 CG1 ILE A 94 11.779 -3.149 8.839 1.00 0.00 C ATOM 1407 CG2 ILE A 94 11.940 -1.269 10.535 1.00 0.00 C ATOM 1408 CD1 ILE A 94 10.319 -2.729 9.025 1.00 0.00 C ATOM 0 H ILE A 94 14.331 -3.498 8.274 1.00 0.00 H new ATOM 0 HA ILE A 94 13.150 -0.972 8.076 1.00 0.00 H new ATOM 0 HB ILE A 94 13.251 -2.929 10.356 1.00 0.00 H new ATOM 0 HG12 ILE A 94 12.051 -3.076 7.786 1.00 0.00 H new ATOM 0 HG13 ILE A 94 11.901 -4.193 9.128 1.00 0.00 H new ATOM 0 HG21 ILE A 94 11.220 -1.802 11.156 1.00 0.00 H new ATOM 0 HG22 ILE A 94 12.636 -0.724 11.172 1.00 0.00 H new ATOM 0 HG23 ILE A 94 11.412 -0.566 9.890 1.00 0.00 H new ATOM 0 HD11 ILE A 94 9.676 -3.369 8.420 1.00 0.00 H new ATOM 0 HD12 ILE A 94 10.043 -2.826 10.075 1.00 0.00 H new ATOM 0 HD13 ILE A 94 10.196 -1.692 8.712 1.00 0.00 H new ATOM 1420 N HIS A 95 15.800 -1.065 9.926 1.00 0.00 N ATOM 1421 CA HIS A 95 16.752 -0.246 10.656 1.00 0.00 C ATOM 1422 C HIS A 95 17.441 0.722 9.692 1.00 0.00 C ATOM 1423 O HIS A 95 17.841 1.817 10.086 1.00 0.00 O ATOM 1424 CB HIS A 95 17.743 -1.121 11.428 1.00 0.00 C ATOM 1425 CG HIS A 95 17.340 -1.390 12.858 1.00 0.00 C ATOM 1426 ND1 HIS A 95 18.261 -1.616 13.865 1.00 0.00 N ATOM 1427 CD2 HIS A 95 16.108 -1.466 13.438 1.00 0.00 C ATOM 1428 CE1 HIS A 95 17.601 -1.819 14.996 1.00 0.00 C ATOM 1429 NE2 HIS A 95 16.266 -1.726 14.730 1.00 0.00 N ATOM 0 H HIS A 95 16.110 -2.019 9.743 1.00 0.00 H new ATOM 0 HA HIS A 95 16.227 0.351 11.402 1.00 0.00 H new ATOM 0 HB2 HIS A 95 17.854 -2.072 10.908 1.00 0.00 H new ATOM 0 HB3 HIS A 95 18.720 -0.638 11.421 1.00 0.00 H new ATOM 0 HD2 HIS A 95 15.163 -1.336 12.931 1.00 0.00 H new ATOM 0 HE1 HIS A 95 18.043 -2.023 15.960 1.00 0.00 H new ATOM 0 HE2 HIS A 95 15.515 -1.838 15.411 1.00 0.00 H new ATOM 1438 N GLY A 96 17.559 0.283 8.448 1.00 0.00 N ATOM 1439 CA GLY A 96 18.193 1.096 7.425 1.00 0.00 C ATOM 1440 C GLY A 96 17.177 2.022 6.753 1.00 0.00 C ATOM 1441 O GLY A 96 17.545 3.062 6.209 1.00 0.00 O ATOM 0 H GLY A 96 17.226 -0.626 8.125 1.00 0.00 H new ATOM 0 HA2 GLY A 96 18.992 1.689 7.870 1.00 0.00 H new ATOM 0 HA3 GLY A 96 18.653 0.451 6.676 1.00 0.00 H new ATOM 1445 N CYS A 97 15.919 1.610 6.813 1.00 0.00 N ATOM 1446 CA CYS A 97 14.846 2.390 6.217 1.00 0.00 C ATOM 1447 C CYS A 97 14.328 3.374 7.267 1.00 0.00 C ATOM 1448 O CYS A 97 14.407 4.586 7.079 1.00 0.00 O ATOM 1449 CB CYS A 97 13.732 1.495 5.673 1.00 0.00 C ATOM 1450 SG CYS A 97 13.846 1.130 3.882 1.00 0.00 S ATOM 0 H CYS A 97 15.618 0.746 7.265 1.00 0.00 H new ATOM 0 HA CYS A 97 15.228 2.944 5.359 1.00 0.00 H new ATOM 0 HB2 CYS A 97 13.740 0.554 6.223 1.00 0.00 H new ATOM 0 HB3 CYS A 97 12.772 1.972 5.872 1.00 0.00 H new ATOM 1455 N GLU A 98 13.809 2.814 8.350 1.00 0.00 N ATOM 1456 CA GLU A 98 13.276 3.629 9.430 1.00 0.00 C ATOM 1457 C GLU A 98 14.243 4.765 9.764 1.00 0.00 C ATOM 1458 O GLU A 98 13.819 5.862 10.126 1.00 0.00 O ATOM 1459 CB GLU A 98 12.985 2.775 10.666 1.00 0.00 C ATOM 1460 CG GLU A 98 12.012 3.488 11.606 1.00 0.00 C ATOM 1461 CD GLU A 98 12.729 3.983 12.865 1.00 0.00 C ATOM 1462 OE1 GLU A 98 13.908 4.376 12.729 1.00 0.00 O ATOM 1463 OE2 GLU A 98 12.082 3.958 13.935 1.00 0.00 O ATOM 0 H GLU A 98 13.746 1.808 8.503 1.00 0.00 H new ATOM 0 HA GLU A 98 12.334 4.066 9.100 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.565 1.817 10.360 1.00 0.00 H new ATOM 0 HB3 GLU A 98 13.915 2.562 11.193 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.553 4.331 11.089 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.207 2.809 11.885 1.00 0.00 H new ATOM 1470 N LYS A 99 15.527 4.467 9.629 1.00 0.00 N ATOM 1471 CA LYS A 99 16.559 5.450 9.912 1.00 0.00 C ATOM 1472 C LYS A 99 16.613 6.468 8.771 1.00 0.00 C ATOM 1473 O LYS A 99 16.949 7.631 8.988 1.00 0.00 O ATOM 1474 CB LYS A 99 17.897 4.760 10.185 1.00 0.00 C ATOM 1475 CG LYS A 99 18.593 4.379 8.878 1.00 0.00 C ATOM 1476 CD LYS A 99 19.897 5.161 8.702 1.00 0.00 C ATOM 1477 CE LYS A 99 20.718 4.604 7.538 1.00 0.00 C ATOM 1478 NZ LYS A 99 22.138 4.999 7.670 1.00 0.00 N ATOM 0 H LYS A 99 15.876 3.558 9.327 1.00 0.00 H new ATOM 0 HA LYS A 99 16.321 6.002 10.821 1.00 0.00 H new ATOM 0 HB2 LYS A 99 18.540 5.422 10.764 1.00 0.00 H new ATOM 0 HB3 LYS A 99 17.733 3.867 10.788 1.00 0.00 H new ATOM 0 HG2 LYS A 99 18.803 3.309 8.872 1.00 0.00 H new ATOM 0 HG3 LYS A 99 17.929 4.578 8.037 1.00 0.00 H new ATOM 0 HD2 LYS A 99 19.673 6.213 8.523 1.00 0.00 H new ATOM 0 HD3 LYS A 99 20.482 5.111 9.621 1.00 0.00 H new ATOM 0 HE2 LYS A 99 20.637 3.517 7.515 1.00 0.00 H new ATOM 0 HE3 LYS A 99 20.318 4.973 6.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 22.681 4.613 6.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 22.211 6.036 7.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 22.521 4.626 8.562 1.00 0.00 H new ATOM 1492 N SER A 100 16.278 5.993 7.581 1.00 0.00 N ATOM 1493 CA SER A 100 16.285 6.848 6.405 1.00 0.00 C ATOM 1494 C SER A 100 14.883 7.411 6.159 1.00 0.00 C ATOM 1495 O SER A 100 14.695 8.257 5.287 1.00 0.00 O ATOM 1496 CB SER A 100 16.774 6.086 5.172 1.00 0.00 C ATOM 1497 OG SER A 100 17.905 6.709 4.573 1.00 0.00 O ATOM 0 H SER A 100 16.000 5.028 7.405 1.00 0.00 H new ATOM 0 HA SER A 100 16.975 7.672 6.586 1.00 0.00 H new ATOM 0 HB2 SER A 100 17.030 5.065 5.455 1.00 0.00 H new ATOM 0 HB3 SER A 100 15.967 6.021 4.442 1.00 0.00 H new ATOM 0 HG SER A 100 17.691 6.957 3.649 1.00 0.00 H new ATOM 1503 N ALA A 101 13.937 6.917 6.944 1.00 0.00 N ATOM 1504 CA ALA A 101 12.558 7.361 6.822 1.00 0.00 C ATOM 1505 C ALA A 101 12.143 8.079 8.109 1.00 0.00 C ATOM 1506 O ALA A 101 11.533 7.477 8.991 1.00 0.00 O ATOM 1507 CB ALA A 101 11.662 6.162 6.510 1.00 0.00 C ATOM 0 H ALA A 101 14.097 6.215 7.666 1.00 0.00 H new ATOM 0 HA ALA A 101 12.454 8.069 6.000 1.00 0.00 H new ATOM 0 HB1 ALA A 101 10.628 6.495 6.418 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.980 5.704 5.573 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.738 5.431 7.315 1.00 0.00 H new ATOM 1513 N PRO A 102 12.497 9.391 8.176 1.00 0.00 N ATOM 1514 CA PRO A 102 12.168 10.197 9.337 1.00 0.00 C ATOM 1515 C PRO A 102 10.682 10.563 9.348 1.00 0.00 C ATOM 1516 O PRO A 102 9.951 10.229 8.418 1.00 0.00 O ATOM 1517 CB PRO A 102 13.080 11.411 9.245 1.00 0.00 C ATOM 1518 CG PRO A 102 13.549 11.470 7.802 1.00 0.00 C ATOM 1519 CD PRO A 102 13.220 10.136 7.148 1.00 0.00 C ATOM 0 HA PRO A 102 12.327 9.667 10.276 1.00 0.00 H new ATOM 0 HB2 PRO A 102 12.548 12.321 9.520 1.00 0.00 H new ATOM 0 HB3 PRO A 102 13.925 11.317 9.927 1.00 0.00 H new ATOM 0 HG2 PRO A 102 13.056 12.286 7.274 1.00 0.00 H new ATOM 0 HG3 PRO A 102 14.621 11.663 7.757 1.00 0.00 H new ATOM 0 HD2 PRO A 102 12.611 10.272 6.254 1.00 0.00 H new ATOM 0 HD3 PRO A 102 14.125 9.611 6.840 1.00 0.00 H new ATOM 1527 N PRO A 103 10.270 11.263 10.440 1.00 0.00 N ATOM 1528 CA PRO A 103 8.887 11.678 10.582 1.00 0.00 C ATOM 1529 C PRO A 103 8.569 12.859 9.664 1.00 0.00 C ATOM 1530 O PRO A 103 7.960 13.837 10.092 1.00 0.00 O ATOM 1531 CB PRO A 103 8.727 12.013 12.057 1.00 0.00 C ATOM 1532 CG PRO A 103 10.135 12.221 12.591 1.00 0.00 C ATOM 1533 CD PRO A 103 11.109 11.676 11.560 1.00 0.00 C ATOM 0 HA PRO A 103 8.183 10.901 10.283 1.00 0.00 H new ATOM 0 HB2 PRO A 103 8.122 12.910 12.191 1.00 0.00 H new ATOM 0 HB3 PRO A 103 8.223 11.206 12.589 1.00 0.00 H new ATOM 0 HG2 PRO A 103 10.322 13.280 12.771 1.00 0.00 H new ATOM 0 HG3 PRO A 103 10.261 11.708 13.544 1.00 0.00 H new ATOM 0 HD2 PRO A 103 11.830 12.435 11.256 1.00 0.00 H new ATOM 0 HD3 PRO A 103 11.679 10.837 11.958 1.00 0.00 H new ATOM 1541 N ASN A 104 8.997 12.727 8.415 1.00 0.00 N ATOM 1542 CA ASN A 104 8.767 13.771 7.432 1.00 0.00 C ATOM 1543 C ASN A 104 7.262 13.929 7.205 1.00 0.00 C ATOM 1544 O ASN A 104 6.525 12.944 7.193 1.00 0.00 O ATOM 1545 CB ASN A 104 9.413 13.417 6.090 1.00 0.00 C ATOM 1546 CG ASN A 104 10.919 13.197 6.249 1.00 0.00 C ATOM 1547 OD1 ASN A 104 11.473 12.196 5.826 1.00 0.00 O ATOM 1548 ND2 ASN A 104 11.547 14.185 6.879 1.00 0.00 N ATOM 0 H ASN A 104 9.501 11.913 8.063 1.00 0.00 H new ATOM 0 HA ASN A 104 9.206 14.694 7.811 1.00 0.00 H new ATOM 0 HB2 ASN A 104 8.951 12.516 5.686 1.00 0.00 H new ATOM 0 HB3 ASN A 104 9.232 14.218 5.373 1.00 0.00 H new ATOM 0 HD21 ASN A 104 12.554 14.133 7.034 1.00 0.00 H new ATOM 0 HD22 ASN A 104 11.022 14.995 7.208 1.00 0.00 H new ATOM 1555 N ASP A 105 6.850 15.177 7.031 1.00 0.00 N ATOM 1556 CA ASP A 105 5.446 15.476 6.805 1.00 0.00 C ATOM 1557 C ASP A 105 4.955 14.702 5.580 1.00 0.00 C ATOM 1558 O ASP A 105 3.752 14.521 5.397 1.00 0.00 O ATOM 1559 CB ASP A 105 5.238 16.967 6.536 1.00 0.00 C ATOM 1560 CG ASP A 105 4.816 17.792 7.755 1.00 0.00 C ATOM 1561 OD1 ASP A 105 3.611 17.741 8.085 1.00 0.00 O ATOM 1562 OD2 ASP A 105 5.709 18.453 8.328 1.00 0.00 O ATOM 0 H ASP A 105 7.464 15.992 7.042 1.00 0.00 H new ATOM 0 HA ASP A 105 4.892 15.189 7.699 1.00 0.00 H new ATOM 0 HB2 ASP A 105 6.164 17.382 6.138 1.00 0.00 H new ATOM 0 HB3 ASP A 105 4.480 17.079 5.761 1.00 0.00 H new ATOM 1567 N ASP A 106 5.910 14.266 4.773 1.00 0.00 N ATOM 1568 CA ASP A 106 5.589 13.515 3.572 1.00 0.00 C ATOM 1569 C ASP A 106 5.346 12.050 3.940 1.00 0.00 C ATOM 1570 O ASP A 106 5.636 11.151 3.152 1.00 0.00 O ATOM 1571 CB ASP A 106 6.743 13.564 2.567 1.00 0.00 C ATOM 1572 CG ASP A 106 6.471 14.392 1.310 1.00 0.00 C ATOM 1573 OD1 ASP A 106 5.770 13.860 0.422 1.00 0.00 O ATOM 1574 OD2 ASP A 106 6.969 15.537 1.266 1.00 0.00 O ATOM 0 H ASP A 106 6.907 14.418 4.927 1.00 0.00 H new ATOM 0 HA ASP A 106 4.700 13.960 3.124 1.00 0.00 H new ATOM 0 HB2 ASP A 106 7.623 13.968 3.067 1.00 0.00 H new ATOM 0 HB3 ASP A 106 6.987 12.545 2.267 1.00 0.00 H new ATOM 1579 N LYS A 107 4.815 11.855 5.137 1.00 0.00 N ATOM 1580 CA LYS A 107 4.529 10.515 5.621 1.00 0.00 C ATOM 1581 C LYS A 107 3.940 9.682 4.481 1.00 0.00 C ATOM 1582 O LYS A 107 4.049 8.456 4.482 1.00 0.00 O ATOM 1583 CB LYS A 107 3.638 10.571 6.863 1.00 0.00 C ATOM 1584 CG LYS A 107 2.267 11.165 6.529 1.00 0.00 C ATOM 1585 CD LYS A 107 1.377 11.224 7.773 1.00 0.00 C ATOM 1586 CE LYS A 107 0.852 9.835 8.138 1.00 0.00 C ATOM 1587 NZ LYS A 107 -0.382 9.944 8.948 1.00 0.00 N ATOM 0 H LYS A 107 4.575 12.603 5.787 1.00 0.00 H new ATOM 0 HA LYS A 107 5.448 10.021 5.938 1.00 0.00 H new ATOM 0 HB2 LYS A 107 3.514 9.568 7.271 1.00 0.00 H new ATOM 0 HB3 LYS A 107 4.120 11.172 7.634 1.00 0.00 H new ATOM 0 HG2 LYS A 107 2.391 12.167 6.118 1.00 0.00 H new ATOM 0 HG3 LYS A 107 1.783 10.563 5.760 1.00 0.00 H new ATOM 0 HD2 LYS A 107 1.942 11.634 8.610 1.00 0.00 H new ATOM 0 HD3 LYS A 107 0.539 11.898 7.593 1.00 0.00 H new ATOM 0 HE2 LYS A 107 0.649 9.266 7.231 1.00 0.00 H new ATOM 0 HE3 LYS A 107 1.612 9.287 8.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -0.725 8.992 9.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -0.178 10.469 9.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -1.111 10.448 8.404 1.00 0.00 H new ATOM 1601 N CYS A 108 3.330 10.379 3.534 1.00 0.00 N ATOM 1602 CA CYS A 108 2.725 9.719 2.391 1.00 0.00 C ATOM 1603 C CYS A 108 3.825 8.982 1.624 1.00 0.00 C ATOM 1604 O CYS A 108 3.688 7.796 1.323 1.00 0.00 O ATOM 1605 CB CYS A 108 1.972 10.709 1.498 1.00 0.00 C ATOM 1606 SG CYS A 108 0.928 9.940 0.207 1.00 0.00 S ATOM 0 H CYS A 108 3.242 11.395 3.535 1.00 0.00 H new ATOM 0 HA CYS A 108 1.980 9.002 2.735 1.00 0.00 H new ATOM 0 HB2 CYS A 108 1.342 11.338 2.128 1.00 0.00 H new ATOM 0 HB3 CYS A 108 2.697 11.365 1.016 1.00 0.00 H new ATOM 1611 N MET A 109 4.889 9.713 1.331 1.00 0.00 N ATOM 1612 CA MET A 109 6.011 9.142 0.605 1.00 0.00 C ATOM 1613 C MET A 109 7.171 8.826 1.550 1.00 0.00 C ATOM 1614 O MET A 109 8.177 8.252 1.135 1.00 0.00 O ATOM 1615 CB MET A 109 6.480 10.129 -0.467 1.00 0.00 C ATOM 1616 CG MET A 109 7.106 9.392 -1.653 1.00 0.00 C ATOM 1617 SD MET A 109 8.255 10.464 -2.499 1.00 0.00 S ATOM 1618 CE MET A 109 9.793 9.888 -1.799 1.00 0.00 C ATOM 0 H MET A 109 4.999 10.695 1.583 1.00 0.00 H new ATOM 0 HA MET A 109 5.684 8.213 0.139 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.636 10.727 -0.810 1.00 0.00 H new ATOM 0 HB3 MET A 109 7.207 10.819 -0.038 1.00 0.00 H new ATOM 0 HG2 MET A 109 7.620 8.496 -1.305 1.00 0.00 H new ATOM 0 HG3 MET A 109 6.327 9.065 -2.341 1.00 0.00 H new ATOM 0 HE1 MET A 109 10.621 10.456 -2.223 1.00 0.00 H new ATOM 0 HE2 MET A 109 9.775 10.025 -0.718 1.00 0.00 H new ATOM 0 HE3 MET A 109 9.924 8.831 -2.029 1.00 0.00 H new ATOM 1628 N LYS A 110 6.993 9.213 2.805 1.00 0.00 N ATOM 1629 CA LYS A 110 8.012 8.978 3.813 1.00 0.00 C ATOM 1630 C LYS A 110 7.780 7.609 4.457 1.00 0.00 C ATOM 1631 O LYS A 110 8.561 6.682 4.250 1.00 0.00 O ATOM 1632 CB LYS A 110 8.050 10.132 4.818 1.00 0.00 C ATOM 1633 CG LYS A 110 8.812 9.732 6.083 1.00 0.00 C ATOM 1634 CD LYS A 110 7.847 9.433 7.232 1.00 0.00 C ATOM 1635 CE LYS A 110 8.377 8.300 8.112 1.00 0.00 C ATOM 1636 NZ LYS A 110 8.185 8.623 9.544 1.00 0.00 N ATOM 0 H LYS A 110 6.157 9.688 3.146 1.00 0.00 H new ATOM 0 HA LYS A 110 9.001 8.953 3.355 1.00 0.00 H new ATOM 0 HB2 LYS A 110 8.525 11.001 4.362 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.033 10.425 5.079 1.00 0.00 H new ATOM 0 HG2 LYS A 110 9.425 8.854 5.880 1.00 0.00 H new ATOM 0 HG3 LYS A 110 9.490 10.535 6.372 1.00 0.00 H new ATOM 0 HD2 LYS A 110 7.704 10.330 7.835 1.00 0.00 H new ATOM 0 HD3 LYS A 110 6.871 9.160 6.830 1.00 0.00 H new ATOM 0 HE2 LYS A 110 7.860 7.371 7.870 1.00 0.00 H new ATOM 0 HE3 LYS A 110 9.435 8.138 7.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.904 7.764 10.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 9.075 8.989 9.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.441 9.343 9.641 1.00 0.00 H new ATOM 1650 N THR A 111 6.704 7.527 5.225 1.00 0.00 N ATOM 1651 CA THR A 111 6.359 6.287 5.901 1.00 0.00 C ATOM 1652 C THR A 111 6.317 5.130 4.902 1.00 0.00 C ATOM 1653 O THR A 111 6.804 4.038 5.191 1.00 0.00 O ATOM 1654 CB THR A 111 5.036 6.504 6.637 1.00 0.00 C ATOM 1655 OG1 THR A 111 5.185 7.780 7.254 1.00 0.00 O ATOM 1656 CG2 THR A 111 4.856 5.542 7.813 1.00 0.00 C ATOM 0 H THR A 111 6.059 8.299 5.395 1.00 0.00 H new ATOM 0 HA THR A 111 7.115 6.012 6.636 1.00 0.00 H new ATOM 0 HB THR A 111 4.209 6.383 5.938 1.00 0.00 H new ATOM 0 HG1 THR A 111 4.659 7.807 8.080 1.00 0.00 H new ATOM 0 HG21 THR A 111 3.901 5.738 8.301 1.00 0.00 H new ATOM 0 HG22 THR A 111 4.873 4.515 7.449 1.00 0.00 H new ATOM 0 HG23 THR A 111 5.666 5.686 8.528 1.00 0.00 H new ATOM 1664 N ILE A 112 5.730 5.408 3.747 1.00 0.00 N ATOM 1665 CA ILE A 112 5.615 4.403 2.703 1.00 0.00 C ATOM 1666 C ILE A 112 6.977 3.732 2.498 1.00 0.00 C ATOM 1667 O ILE A 112 7.063 2.507 2.424 1.00 0.00 O ATOM 1668 CB ILE A 112 5.035 5.018 1.428 1.00 0.00 C ATOM 1669 CG1 ILE A 112 4.380 3.946 0.554 1.00 0.00 C ATOM 1670 CG2 ILE A 112 6.101 5.808 0.667 1.00 0.00 C ATOM 1671 CD1 ILE A 112 5.366 2.823 0.233 1.00 0.00 C ATOM 0 H ILE A 112 5.329 6.315 3.511 1.00 0.00 H new ATOM 0 HA ILE A 112 4.914 3.623 2.999 1.00 0.00 H new ATOM 0 HB ILE A 112 4.254 5.724 1.711 1.00 0.00 H new ATOM 0 HG12 ILE A 112 3.510 3.535 1.067 1.00 0.00 H new ATOM 0 HG13 ILE A 112 4.022 4.396 -0.372 1.00 0.00 H new ATOM 0 HG21 ILE A 112 5.663 6.235 -0.235 1.00 0.00 H new ATOM 0 HG22 ILE A 112 6.481 6.610 1.300 1.00 0.00 H new ATOM 0 HG23 ILE A 112 6.920 5.143 0.393 1.00 0.00 H new ATOM 0 HD11 ILE A 112 4.875 2.075 -0.389 1.00 0.00 H new ATOM 0 HD12 ILE A 112 6.223 3.233 -0.301 1.00 0.00 H new ATOM 0 HD13 ILE A 112 5.704 2.359 1.160 1.00 0.00 H new ATOM 1683 N ASP A 113 8.004 4.564 2.413 1.00 0.00 N ATOM 1684 CA ASP A 113 9.355 4.068 2.219 1.00 0.00 C ATOM 1685 C ASP A 113 9.581 2.851 3.119 1.00 0.00 C ATOM 1686 O ASP A 113 10.123 1.839 2.676 1.00 0.00 O ATOM 1687 CB ASP A 113 10.392 5.129 2.590 1.00 0.00 C ATOM 1688 CG ASP A 113 11.590 5.224 1.642 1.00 0.00 C ATOM 1689 OD1 ASP A 113 12.157 4.153 1.337 1.00 0.00 O ATOM 1690 OD2 ASP A 113 11.911 6.365 1.246 1.00 0.00 O ATOM 0 H ASP A 113 7.927 5.579 2.475 1.00 0.00 H new ATOM 0 HA ASP A 113 9.469 3.806 1.167 1.00 0.00 H new ATOM 0 HB2 ASP A 113 9.899 6.100 2.626 1.00 0.00 H new ATOM 0 HB3 ASP A 113 10.759 4.921 3.595 1.00 0.00 H new ATOM 1695 N VAL A 114 9.155 2.989 4.365 1.00 0.00 N ATOM 1696 CA VAL A 114 9.303 1.914 5.331 1.00 0.00 C ATOM 1697 C VAL A 114 8.205 0.874 5.103 1.00 0.00 C ATOM 1698 O VAL A 114 8.483 -0.322 5.030 1.00 0.00 O ATOM 1699 CB VAL A 114 9.302 2.482 6.751 1.00 0.00 C ATOM 1700 CG1 VAL A 114 10.251 1.695 7.658 1.00 0.00 C ATOM 1701 CG2 VAL A 114 9.658 3.970 6.748 1.00 0.00 C ATOM 0 H VAL A 114 8.707 3.830 4.729 1.00 0.00 H new ATOM 0 HA VAL A 114 10.261 1.411 5.197 1.00 0.00 H new ATOM 0 HB VAL A 114 8.293 2.379 7.150 1.00 0.00 H new ATOM 0 HG11 VAL A 114 10.231 2.120 8.662 1.00 0.00 H new ATOM 0 HG12 VAL A 114 9.935 0.653 7.699 1.00 0.00 H new ATOM 0 HG13 VAL A 114 11.264 1.751 7.260 1.00 0.00 H new ATOM 0 HG21 VAL A 114 9.650 4.348 7.770 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.651 4.106 6.319 1.00 0.00 H new ATOM 0 HG23 VAL A 114 8.927 4.518 6.153 1.00 0.00 H new ATOM 1711 N ALA A 115 6.980 1.367 4.998 1.00 0.00 N ATOM 1712 CA ALA A 115 5.839 0.494 4.779 1.00 0.00 C ATOM 1713 C ALA A 115 6.120 -0.416 3.583 1.00 0.00 C ATOM 1714 O ALA A 115 5.489 -1.461 3.431 1.00 0.00 O ATOM 1715 CB ALA A 115 4.579 1.342 4.586 1.00 0.00 C ATOM 0 H ALA A 115 6.752 2.359 5.060 1.00 0.00 H new ATOM 0 HA ALA A 115 5.672 -0.146 5.646 1.00 0.00 H new ATOM 0 HB1 ALA A 115 3.722 0.688 4.422 1.00 0.00 H new ATOM 0 HB2 ALA A 115 4.408 1.947 5.476 1.00 0.00 H new ATOM 0 HB3 ALA A 115 4.708 1.995 3.723 1.00 0.00 H new ATOM 1721 N MET A 116 7.066 0.015 2.761 1.00 0.00 N ATOM 1722 CA MET A 116 7.438 -0.749 1.583 1.00 0.00 C ATOM 1723 C MET A 116 8.777 -1.458 1.788 1.00 0.00 C ATOM 1724 O MET A 116 9.030 -2.503 1.190 1.00 0.00 O ATOM 1725 CB MET A 116 7.538 0.189 0.377 1.00 0.00 C ATOM 1726 CG MET A 116 8.795 1.058 0.461 1.00 0.00 C ATOM 1727 SD MET A 116 9.209 1.688 -1.157 1.00 0.00 S ATOM 1728 CE MET A 116 10.895 2.200 -0.867 1.00 0.00 C ATOM 0 H MET A 116 7.586 0.883 2.888 1.00 0.00 H new ATOM 0 HA MET A 116 6.672 -1.504 1.407 1.00 0.00 H new ATOM 0 HB2 MET A 116 7.557 -0.396 -0.543 1.00 0.00 H new ATOM 0 HB3 MET A 116 6.654 0.825 0.332 1.00 0.00 H new ATOM 0 HG2 MET A 116 8.630 1.885 1.151 1.00 0.00 H new ATOM 0 HG3 MET A 116 9.626 0.474 0.857 1.00 0.00 H new ATOM 0 HE1 MET A 116 11.017 3.239 -1.172 1.00 0.00 H new ATOM 0 HE2 MET A 116 11.127 2.104 0.194 1.00 0.00 H new ATOM 0 HE3 MET A 116 11.571 1.570 -1.445 1.00 0.00 H new ATOM 1738 N CYS A 117 9.601 -0.862 2.637 1.00 0.00 N ATOM 1739 CA CYS A 117 10.909 -1.425 2.930 1.00 0.00 C ATOM 1740 C CYS A 117 10.731 -2.911 3.255 1.00 0.00 C ATOM 1741 O CYS A 117 11.359 -3.765 2.630 1.00 0.00 O ATOM 1742 CB CYS A 117 11.608 -0.673 4.065 1.00 0.00 C ATOM 1743 SG CYS A 117 13.420 -0.913 4.144 1.00 0.00 S ATOM 0 H CYS A 117 9.389 0.005 3.131 1.00 0.00 H new ATOM 0 HA CYS A 117 11.556 -1.319 2.059 1.00 0.00 H new ATOM 0 HB2 CYS A 117 11.401 0.392 3.958 1.00 0.00 H new ATOM 0 HB3 CYS A 117 11.172 -0.988 5.013 1.00 0.00 H new ATOM 1748 N PHE A 118 9.874 -3.171 4.231 1.00 0.00 N ATOM 1749 CA PHE A 118 9.606 -4.538 4.646 1.00 0.00 C ATOM 1750 C PHE A 118 8.934 -5.330 3.522 1.00 0.00 C ATOM 1751 O PHE A 118 9.296 -6.477 3.264 1.00 0.00 O ATOM 1752 CB PHE A 118 8.655 -4.465 5.841 1.00 0.00 C ATOM 1753 CG PHE A 118 7.924 -5.775 6.137 1.00 0.00 C ATOM 1754 CD1 PHE A 118 8.507 -6.964 5.827 1.00 0.00 C ATOM 1755 CD2 PHE A 118 6.690 -5.752 6.708 1.00 0.00 C ATOM 1756 CE1 PHE A 118 7.829 -8.181 6.100 1.00 0.00 C ATOM 1757 CE2 PHE A 118 6.011 -6.968 6.982 1.00 0.00 C ATOM 1758 CZ PHE A 118 6.595 -8.157 6.673 1.00 0.00 C ATOM 0 H PHE A 118 9.356 -2.459 4.746 1.00 0.00 H new ATOM 0 HA PHE A 118 10.540 -5.039 4.900 1.00 0.00 H new ATOM 0 HB2 PHE A 118 9.221 -4.169 6.725 1.00 0.00 H new ATOM 0 HB3 PHE A 118 7.918 -3.683 5.658 1.00 0.00 H new ATOM 0 HD1 PHE A 118 9.487 -6.982 5.373 1.00 0.00 H new ATOM 0 HD2 PHE A 118 6.226 -4.808 6.953 1.00 0.00 H new ATOM 0 HE1 PHE A 118 8.292 -9.125 5.853 1.00 0.00 H new ATOM 0 HE2 PHE A 118 5.031 -6.949 7.436 1.00 0.00 H new ATOM 0 HZ PHE A 118 6.079 -9.082 6.883 1.00 0.00 H new ATOM 1768 N LYS A 119 7.967 -4.686 2.884 1.00 0.00 N ATOM 1769 CA LYS A 119 7.242 -5.317 1.795 1.00 0.00 C ATOM 1770 C LYS A 119 8.222 -5.691 0.682 1.00 0.00 C ATOM 1771 O LYS A 119 7.999 -6.654 -0.049 1.00 0.00 O ATOM 1772 CB LYS A 119 6.093 -4.420 1.326 1.00 0.00 C ATOM 1773 CG LYS A 119 4.740 -5.005 1.731 1.00 0.00 C ATOM 1774 CD LYS A 119 3.663 -4.664 0.697 1.00 0.00 C ATOM 1775 CE LYS A 119 2.267 -4.987 1.233 1.00 0.00 C ATOM 1776 NZ LYS A 119 1.834 -3.959 2.205 1.00 0.00 N ATOM 0 H LYS A 119 7.669 -3.735 3.101 1.00 0.00 H new ATOM 0 HA LYS A 119 6.777 -6.243 2.134 1.00 0.00 H new ATOM 0 HB2 LYS A 119 6.206 -3.424 1.755 1.00 0.00 H new ATOM 0 HB3 LYS A 119 6.134 -4.307 0.243 1.00 0.00 H new ATOM 0 HG2 LYS A 119 4.823 -6.087 1.831 1.00 0.00 H new ATOM 0 HG3 LYS A 119 4.449 -4.616 2.707 1.00 0.00 H new ATOM 0 HD2 LYS A 119 3.722 -3.606 0.440 1.00 0.00 H new ATOM 0 HD3 LYS A 119 3.843 -5.225 -0.220 1.00 0.00 H new ATOM 0 HE2 LYS A 119 1.557 -5.037 0.408 1.00 0.00 H new ATOM 0 HE3 LYS A 119 2.272 -5.967 1.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 0.828 -4.096 2.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 2.398 -4.044 3.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 1.971 -3.013 1.794 1.00 0.00 H new ATOM 1790 N LYS A 120 9.289 -4.911 0.591 1.00 0.00 N ATOM 1791 CA LYS A 120 10.305 -5.148 -0.419 1.00 0.00 C ATOM 1792 C LYS A 120 10.896 -6.546 -0.225 1.00 0.00 C ATOM 1793 O LYS A 120 11.268 -7.207 -1.193 1.00 0.00 O ATOM 1794 CB LYS A 120 11.351 -4.031 -0.400 1.00 0.00 C ATOM 1795 CG LYS A 120 11.403 -3.306 -1.747 1.00 0.00 C ATOM 1796 CD LYS A 120 12.848 -3.010 -2.153 1.00 0.00 C ATOM 1797 CE LYS A 120 13.316 -1.668 -1.584 1.00 0.00 C ATOM 1798 NZ LYS A 120 14.421 -1.116 -2.398 1.00 0.00 N ATOM 0 H LYS A 120 9.472 -4.114 1.201 1.00 0.00 H new ATOM 0 HA LYS A 120 9.863 -5.123 -1.415 1.00 0.00 H new ATOM 0 HB2 LYS A 120 11.114 -3.320 0.391 1.00 0.00 H new ATOM 0 HB3 LYS A 120 12.331 -4.449 -0.170 1.00 0.00 H new ATOM 0 HG2 LYS A 120 10.924 -3.917 -2.512 1.00 0.00 H new ATOM 0 HG3 LYS A 120 10.840 -2.374 -1.685 1.00 0.00 H new ATOM 0 HD2 LYS A 120 13.500 -3.807 -1.796 1.00 0.00 H new ATOM 0 HD3 LYS A 120 12.928 -2.996 -3.240 1.00 0.00 H new ATOM 0 HE2 LYS A 120 12.484 -0.964 -1.565 1.00 0.00 H new ATOM 0 HE3 LYS A 120 13.646 -1.799 -0.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 14.827 -0.289 -1.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 15.157 -1.841 -2.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 14.057 -0.830 -3.329 1.00 0.00 H new ATOM 1812 N GLU A 121 10.962 -6.954 1.033 1.00 0.00 N ATOM 1813 CA GLU A 121 11.501 -8.262 1.369 1.00 0.00 C ATOM 1814 C GLU A 121 10.694 -9.362 0.675 1.00 0.00 C ATOM 1815 O GLU A 121 11.226 -10.427 0.364 1.00 0.00 O ATOM 1816 CB GLU A 121 11.527 -8.473 2.883 1.00 0.00 C ATOM 1817 CG GLU A 121 12.257 -7.327 3.585 1.00 0.00 C ATOM 1818 CD GLU A 121 13.766 -7.409 3.344 1.00 0.00 C ATOM 1819 OE1 GLU A 121 14.425 -8.136 4.119 1.00 0.00 O ATOM 1820 OE2 GLU A 121 14.227 -6.745 2.391 1.00 0.00 O ATOM 0 H GLU A 121 10.651 -6.402 1.833 1.00 0.00 H new ATOM 0 HA GLU A 121 12.530 -8.312 1.012 1.00 0.00 H new ATOM 0 HB2 GLU A 121 10.507 -8.545 3.261 1.00 0.00 H new ATOM 0 HB3 GLU A 121 12.020 -9.418 3.113 1.00 0.00 H new ATOM 0 HG2 GLU A 121 11.878 -6.372 3.220 1.00 0.00 H new ATOM 0 HG3 GLU A 121 12.054 -7.363 4.655 1.00 0.00 H new ATOM 1827 N ILE A 122 9.420 -9.067 0.454 1.00 0.00 N ATOM 1828 CA ILE A 122 8.534 -10.018 -0.197 1.00 0.00 C ATOM 1829 C ILE A 122 8.819 -10.026 -1.700 1.00 0.00 C ATOM 1830 O ILE A 122 8.776 -11.078 -2.338 1.00 0.00 O ATOM 1831 CB ILE A 122 7.076 -9.714 0.151 1.00 0.00 C ATOM 1832 CG1 ILE A 122 6.958 -9.134 1.561 1.00 0.00 C ATOM 1833 CG2 ILE A 122 6.201 -10.955 -0.032 1.00 0.00 C ATOM 1834 CD1 ILE A 122 7.831 -9.910 2.550 1.00 0.00 C ATOM 0 H ILE A 122 8.981 -8.184 0.714 1.00 0.00 H new ATOM 0 HA ILE A 122 8.722 -11.028 0.169 1.00 0.00 H new ATOM 0 HB ILE A 122 6.710 -8.955 -0.541 1.00 0.00 H new ATOM 0 HG12 ILE A 122 7.256 -8.086 1.553 1.00 0.00 H new ATOM 0 HG13 ILE A 122 5.918 -9.167 1.885 1.00 0.00 H new ATOM 0 HG21 ILE A 122 5.169 -10.713 0.222 1.00 0.00 H new ATOM 0 HG22 ILE A 122 6.252 -11.286 -1.069 1.00 0.00 H new ATOM 0 HG23 ILE A 122 6.558 -11.751 0.621 1.00 0.00 H new ATOM 0 HD11 ILE A 122 7.728 -9.476 3.545 1.00 0.00 H new ATOM 0 HD12 ILE A 122 7.514 -10.953 2.574 1.00 0.00 H new ATOM 0 HD13 ILE A 122 8.873 -9.855 2.236 1.00 0.00 H new ATOM 1846 N HIS A 123 9.104 -8.843 -2.223 1.00 0.00 N ATOM 1847 CA HIS A 123 9.394 -8.700 -3.641 1.00 0.00 C ATOM 1848 C HIS A 123 10.408 -9.764 -4.065 1.00 0.00 C ATOM 1849 O HIS A 123 10.543 -10.060 -5.251 1.00 0.00 O ATOM 1850 CB HIS A 123 9.858 -7.279 -3.960 1.00 0.00 C ATOM 1851 CG HIS A 123 11.325 -7.173 -4.301 1.00 0.00 C ATOM 1852 ND1 HIS A 123 11.886 -7.796 -5.401 1.00 0.00 N ATOM 1853 CD2 HIS A 123 12.341 -6.511 -3.676 1.00 0.00 C ATOM 1854 CE1 HIS A 123 13.180 -7.515 -5.428 1.00 0.00 C ATOM 1855 NE2 HIS A 123 13.460 -6.719 -4.358 1.00 0.00 N ATOM 0 H HIS A 123 9.141 -7.974 -1.691 1.00 0.00 H new ATOM 0 HA HIS A 123 8.485 -8.861 -4.221 1.00 0.00 H new ATOM 0 HB2 HIS A 123 9.273 -6.896 -4.796 1.00 0.00 H new ATOM 0 HB3 HIS A 123 9.648 -6.638 -3.104 1.00 0.00 H new ATOM 0 HD1 HIS A 123 11.387 -8.374 -6.077 1.00 0.00 H new ATOM 0 HD2 HIS A 123 12.250 -5.918 -2.778 1.00 0.00 H new ATOM 0 HE1 HIS A 123 13.889 -7.857 -6.168 1.00 0.00 H new ATOM 1864 N LYS A 124 11.095 -10.310 -3.072 1.00 0.00 N ATOM 1865 CA LYS A 124 12.093 -11.335 -3.328 1.00 0.00 C ATOM 1866 C LYS A 124 11.466 -12.716 -3.118 1.00 0.00 C ATOM 1867 O LYS A 124 12.166 -13.678 -2.804 1.00 0.00 O ATOM 1868 CB LYS A 124 13.342 -11.092 -2.478 1.00 0.00 C ATOM 1869 CG LYS A 124 13.580 -9.593 -2.270 1.00 0.00 C ATOM 1870 CD LYS A 124 14.729 -9.352 -1.290 1.00 0.00 C ATOM 1871 CE LYS A 124 15.568 -8.146 -1.716 1.00 0.00 C ATOM 1872 NZ LYS A 124 14.765 -6.906 -1.646 1.00 0.00 N ATOM 0 H LYS A 124 10.980 -10.062 -2.089 1.00 0.00 H new ATOM 0 HA LYS A 124 12.427 -11.290 -4.365 1.00 0.00 H new ATOM 0 HB2 LYS A 124 13.230 -11.584 -1.512 1.00 0.00 H new ATOM 0 HB3 LYS A 124 14.210 -11.538 -2.964 1.00 0.00 H new ATOM 0 HG2 LYS A 124 13.807 -9.121 -3.226 1.00 0.00 H new ATOM 0 HG3 LYS A 124 12.671 -9.126 -1.892 1.00 0.00 H new ATOM 0 HD2 LYS A 124 14.330 -9.187 -0.289 1.00 0.00 H new ATOM 0 HD3 LYS A 124 15.360 -10.239 -1.239 1.00 0.00 H new ATOM 0 HE2 LYS A 124 16.442 -8.057 -1.071 1.00 0.00 H new ATOM 0 HE3 LYS A 124 15.935 -8.292 -2.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 14.574 -6.561 -2.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 13.865 -7.102 -1.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 15.291 -6.182 -1.116 1.00 0.00 H new ATOM 1886 N LEU A 125 10.156 -12.768 -3.299 1.00 0.00 N ATOM 1887 CA LEU A 125 9.427 -14.014 -3.134 1.00 0.00 C ATOM 1888 C LEU A 125 10.191 -15.143 -3.827 1.00 0.00 C ATOM 1889 O LEU A 125 11.106 -15.726 -3.245 1.00 0.00 O ATOM 1890 CB LEU A 125 7.984 -13.861 -3.619 1.00 0.00 C ATOM 1891 CG LEU A 125 7.726 -12.717 -4.603 1.00 0.00 C ATOM 1892 CD1 LEU A 125 8.826 -12.648 -5.664 1.00 0.00 C ATOM 1893 CD2 LEU A 125 6.334 -12.835 -5.228 1.00 0.00 C ATOM 0 H LEU A 125 9.579 -11.968 -3.558 1.00 0.00 H new ATOM 0 HA LEU A 125 9.357 -14.276 -2.078 1.00 0.00 H new ATOM 0 HB2 LEU A 125 7.679 -14.795 -4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 125 7.342 -13.718 -2.750 1.00 0.00 H new ATOM 0 HG LEU A 125 7.753 -11.778 -4.050 1.00 0.00 H new ATOM 0 HD11 LEU A 125 8.619 -11.827 -6.350 1.00 0.00 H new ATOM 0 HD12 LEU A 125 9.788 -12.482 -5.180 1.00 0.00 H new ATOM 0 HD13 LEU A 125 8.856 -13.586 -6.219 1.00 0.00 H new ATOM 0 HD21 LEU A 125 6.176 -12.010 -5.923 1.00 0.00 H new ATOM 0 HD22 LEU A 125 6.255 -13.781 -5.764 1.00 0.00 H new ATOM 0 HD23 LEU A 125 5.578 -12.798 -4.443 1.00 0.00 H new ATOM 1905 N ASN A 126 9.789 -15.418 -5.059 1.00 0.00 N ATOM 1906 CA ASN A 126 10.426 -16.468 -5.836 1.00 0.00 C ATOM 1907 C ASN A 126 11.361 -15.835 -6.868 1.00 0.00 C ATOM 1908 O ASN A 126 12.064 -16.541 -7.590 1.00 0.00 O ATOM 1909 CB ASN A 126 9.387 -17.302 -6.590 1.00 0.00 C ATOM 1910 CG ASN A 126 8.286 -17.788 -5.646 1.00 0.00 C ATOM 1911 OD1 ASN A 126 7.381 -16.861 -5.348 1.00 0.00 O flip ATOM 1912 ND2 ASN A 126 8.261 -18.931 -5.215 1.00 0.00 N flip ATOM 0 H ASN A 126 9.031 -14.932 -5.538 1.00 0.00 H new ATOM 0 HA ASN A 126 10.976 -17.111 -5.149 1.00 0.00 H new ATOM 0 HB2 ASN A 126 8.948 -16.706 -7.390 1.00 0.00 H new ATOM 0 HB3 ASN A 126 9.873 -18.158 -7.059 1.00 0.00 H new ATOM 0 HD21 ASN A 126 8.988 -19.594 -5.484 1.00 0.00 H new ATOM 0 HD22 ASN A 126 7.513 -19.223 -4.586 1.00 0.00 H new ATOM 1919 N TRP A 127 11.341 -14.510 -6.906 1.00 0.00 N ATOM 1920 CA TRP A 127 12.179 -13.775 -7.838 1.00 0.00 C ATOM 1921 C TRP A 127 13.505 -13.470 -7.141 1.00 0.00 C ATOM 1922 O TRP A 127 13.563 -13.390 -5.914 1.00 0.00 O ATOM 1923 CB TRP A 127 11.466 -12.518 -8.342 1.00 0.00 C ATOM 1924 CG TRP A 127 9.948 -12.668 -8.457 1.00 0.00 C ATOM 1925 CD1 TRP A 127 9.243 -13.785 -8.682 1.00 0.00 C ATOM 1926 CD2 TRP A 127 8.970 -11.613 -8.343 1.00 0.00 C ATOM 1927 NE1 TRP A 127 7.888 -13.530 -8.721 1.00 0.00 N ATOM 1928 CE2 TRP A 127 7.716 -12.167 -8.509 1.00 0.00 C ATOM 1929 CE3 TRP A 127 9.137 -10.237 -8.108 1.00 0.00 C ATOM 1930 CZ2 TRP A 127 6.533 -11.418 -8.456 1.00 0.00 C ATOM 1931 CZ3 TRP A 127 7.945 -9.503 -8.059 1.00 0.00 C ATOM 1932 CH2 TRP A 127 6.676 -10.045 -8.224 1.00 0.00 C ATOM 0 H TRP A 127 10.757 -13.927 -6.306 1.00 0.00 H new ATOM 0 HA TRP A 127 12.382 -14.371 -8.728 1.00 0.00 H new ATOM 0 HB2 TRP A 127 11.689 -11.691 -7.668 1.00 0.00 H new ATOM 0 HB3 TRP A 127 11.869 -12.251 -9.319 1.00 0.00 H new ATOM 0 HD1 TRP A 127 9.681 -14.763 -8.816 1.00 0.00 H new ATOM 0 HE1 TRP A 127 7.149 -14.215 -8.877 1.00 0.00 H new ATOM 0 HE3 TRP A 127 10.107 -9.782 -7.976 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 5.563 -11.875 -8.587 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 8.017 -8.440 -7.880 1.00 0.00 H new ATOM 0 HH2 TRP A 127 5.804 -9.410 -8.173 1.00 0.00 H new ATOM 1943 N VAL A 128 14.541 -13.310 -7.953 1.00 0.00 N ATOM 1944 CA VAL A 128 15.864 -13.016 -7.429 1.00 0.00 C ATOM 1945 C VAL A 128 16.161 -11.525 -7.611 1.00 0.00 C ATOM 1946 O VAL A 128 16.202 -11.031 -8.737 1.00 0.00 O ATOM 1947 CB VAL A 128 16.903 -13.919 -8.096 1.00 0.00 C ATOM 1948 CG1 VAL A 128 16.653 -15.389 -7.755 1.00 0.00 C ATOM 1949 CG2 VAL A 128 16.923 -13.703 -9.611 1.00 0.00 C ATOM 0 H VAL A 128 14.490 -13.379 -8.969 1.00 0.00 H new ATOM 0 HA VAL A 128 15.908 -13.227 -6.361 1.00 0.00 H new ATOM 0 HB VAL A 128 17.884 -13.648 -7.705 1.00 0.00 H new ATOM 0 HG11 VAL A 128 17.406 -16.009 -8.242 1.00 0.00 H new ATOM 0 HG12 VAL A 128 16.712 -15.527 -6.675 1.00 0.00 H new ATOM 0 HG13 VAL A 128 15.662 -15.680 -8.104 1.00 0.00 H new ATOM 0 HG21 VAL A 128 17.670 -14.356 -10.062 1.00 0.00 H new ATOM 0 HG22 VAL A 128 15.941 -13.934 -10.024 1.00 0.00 H new ATOM 0 HG23 VAL A 128 17.172 -12.664 -9.827 1.00 0.00 H new ATOM 1959 N PRO A 129 16.365 -10.834 -6.457 1.00 0.00 N ATOM 1960 CA PRO A 129 16.657 -9.411 -6.481 1.00 0.00 C ATOM 1961 C PRO A 129 18.097 -9.154 -6.930 1.00 0.00 C ATOM 1962 O PRO A 129 18.841 -8.440 -6.261 1.00 0.00 O ATOM 1963 CB PRO A 129 16.383 -8.932 -5.065 1.00 0.00 C ATOM 1964 CG PRO A 129 16.397 -10.176 -4.193 1.00 0.00 C ATOM 1965 CD PRO A 129 16.324 -11.388 -5.108 1.00 0.00 C ATOM 0 HA PRO A 129 16.043 -8.867 -7.199 1.00 0.00 H new ATOM 0 HB2 PRO A 129 17.141 -8.219 -4.740 1.00 0.00 H new ATOM 0 HB3 PRO A 129 15.421 -8.424 -5.004 1.00 0.00 H new ATOM 0 HG2 PRO A 129 17.303 -10.208 -3.589 1.00 0.00 H new ATOM 0 HG3 PRO A 129 15.554 -10.168 -3.503 1.00 0.00 H new ATOM 0 HD2 PRO A 129 17.158 -12.068 -4.933 1.00 0.00 H new ATOM 0 HD3 PRO A 129 15.409 -11.957 -4.941 1.00 0.00 H new ATOM 1973 N ASN A 130 18.445 -9.750 -8.060 1.00 0.00 N ATOM 1974 CA ASN A 130 19.781 -9.593 -8.609 1.00 0.00 C ATOM 1975 C ASN A 130 20.204 -8.127 -8.499 1.00 0.00 C ATOM 1976 O ASN A 130 21.395 -7.823 -8.439 1.00 0.00 O ATOM 1977 CB ASN A 130 19.821 -9.987 -10.086 1.00 0.00 C ATOM 1978 CG ASN A 130 21.237 -10.379 -10.512 1.00 0.00 C ATOM 1979 OD1 ASN A 130 21.872 -11.242 -9.928 1.00 0.00 O ATOM 1980 ND2 ASN A 130 21.696 -9.698 -11.559 1.00 0.00 N ATOM 0 H ASN A 130 17.825 -10.343 -8.611 1.00 0.00 H new ATOM 0 HA ASN A 130 20.454 -10.240 -8.046 1.00 0.00 H new ATOM 0 HB2 ASN A 130 19.141 -10.820 -10.262 1.00 0.00 H new ATOM 0 HB3 ASN A 130 19.471 -9.155 -10.697 1.00 0.00 H new ATOM 0 HD21 ASN A 130 22.632 -9.886 -11.919 1.00 0.00 H new ATOM 0 HD22 ASN A 130 21.112 -8.988 -12.002 1.00 0.00 H new ATOM 1987 N MET A 131 19.206 -7.257 -8.475 1.00 0.00 N ATOM 1988 CA MET A 131 19.461 -5.830 -8.373 1.00 0.00 C ATOM 1989 C MET A 131 19.437 -5.371 -6.914 1.00 0.00 C ATOM 1990 O MET A 131 18.368 -5.183 -6.335 1.00 0.00 O ATOM 1991 CB MET A 131 18.398 -5.064 -9.166 1.00 0.00 C ATOM 1992 CG MET A 131 18.935 -3.711 -9.636 1.00 0.00 C ATOM 1993 SD MET A 131 18.836 -2.520 -8.312 1.00 0.00 S ATOM 1994 CE MET A 131 20.265 -1.518 -8.687 1.00 0.00 C ATOM 0 H MET A 131 18.220 -7.512 -8.524 1.00 0.00 H new ATOM 0 HA MET A 131 20.451 -5.627 -8.782 1.00 0.00 H new ATOM 0 HB2 MET A 131 18.086 -5.655 -10.027 1.00 0.00 H new ATOM 0 HB3 MET A 131 17.515 -4.913 -8.546 1.00 0.00 H new ATOM 0 HG2 MET A 131 19.969 -3.816 -9.965 1.00 0.00 H new ATOM 0 HG3 MET A 131 18.361 -3.361 -10.494 1.00 0.00 H new ATOM 0 HE1 MET A 131 20.353 -0.719 -7.951 1.00 0.00 H new ATOM 0 HE2 MET A 131 21.161 -2.138 -8.659 1.00 0.00 H new ATOM 0 HE3 MET A 131 20.155 -1.085 -9.681 1.00 0.00 H new ATOM 2004 N ASP A 132 20.630 -5.204 -6.361 1.00 0.00 N ATOM 2005 CA ASP A 132 20.760 -4.771 -4.980 1.00 0.00 C ATOM 2006 C ASP A 132 21.711 -3.575 -4.912 1.00 0.00 C ATOM 2007 O ASP A 132 22.835 -3.640 -5.408 1.00 0.00 O ATOM 2008 CB ASP A 132 21.341 -5.885 -4.106 1.00 0.00 C ATOM 2009 CG ASP A 132 22.394 -6.761 -4.789 1.00 0.00 C ATOM 2010 OD1 ASP A 132 23.005 -6.261 -5.757 1.00 0.00 O ATOM 2011 OD2 ASP A 132 22.561 -7.911 -4.328 1.00 0.00 O ATOM 0 H ASP A 132 21.515 -5.361 -6.844 1.00 0.00 H new ATOM 0 HA ASP A 132 19.768 -4.506 -4.616 1.00 0.00 H new ATOM 0 HB2 ASP A 132 21.785 -5.435 -3.218 1.00 0.00 H new ATOM 0 HB3 ASP A 132 20.525 -6.523 -3.766 1.00 0.00 H new ATOM 2016 N LEU A 133 21.224 -2.506 -4.297 1.00 0.00 N ATOM 2017 CA LEU A 133 22.016 -1.295 -4.158 1.00 0.00 C ATOM 2018 C LEU A 133 23.494 -1.670 -4.037 1.00 0.00 C ATOM 2019 O LEU A 133 23.891 -2.350 -3.091 1.00 0.00 O ATOM 2020 CB LEU A 133 21.498 -0.447 -2.996 1.00 0.00 C ATOM 2021 CG LEU A 133 21.850 -0.947 -1.592 1.00 0.00 C ATOM 2022 CD1 LEU A 133 21.540 -2.437 -1.446 1.00 0.00 C ATOM 2023 CD2 LEU A 133 23.308 -0.629 -1.247 1.00 0.00 C ATOM 0 H LEU A 133 20.290 -2.454 -3.889 1.00 0.00 H new ATOM 0 HA LEU A 133 21.917 -0.670 -5.046 1.00 0.00 H new ATOM 0 HB2 LEU A 133 21.888 0.565 -3.108 1.00 0.00 H new ATOM 0 HB3 LEU A 133 20.413 -0.381 -3.075 1.00 0.00 H new ATOM 0 HG LEU A 133 21.225 -0.417 -0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 133 21.799 -2.766 -0.440 1.00 0.00 H new ATOM 0 HD12 LEU A 133 20.477 -2.606 -1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 133 22.122 -3.003 -2.174 1.00 0.00 H new ATOM 0 HD21 LEU A 133 23.533 -0.994 -0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 133 23.967 -1.115 -1.967 1.00 0.00 H new ATOM 0 HD23 LEU A 133 23.464 0.449 -1.283 1.00 0.00 H new ATOM 2035 N VAL A 134 24.269 -1.211 -5.009 1.00 0.00 N ATOM 2036 CA VAL A 134 25.695 -1.488 -5.022 1.00 0.00 C ATOM 2037 C VAL A 134 26.469 -0.176 -4.867 1.00 0.00 C ATOM 2038 O VAL A 134 27.691 -0.154 -4.993 1.00 0.00 O ATOM 2039 CB VAL A 134 26.067 -2.254 -6.294 1.00 0.00 C ATOM 2040 CG1 VAL A 134 25.952 -1.357 -7.528 1.00 0.00 C ATOM 2041 CG2 VAL A 134 27.470 -2.855 -6.183 1.00 0.00 C ATOM 0 H VAL A 134 23.936 -0.649 -5.793 1.00 0.00 H new ATOM 0 HA VAL A 134 25.967 -2.126 -4.181 1.00 0.00 H new ATOM 0 HB VAL A 134 25.359 -3.075 -6.409 1.00 0.00 H new ATOM 0 HG11 VAL A 134 26.222 -1.926 -8.418 1.00 0.00 H new ATOM 0 HG12 VAL A 134 24.927 -0.999 -7.623 1.00 0.00 H new ATOM 0 HG13 VAL A 134 26.625 -0.506 -7.423 1.00 0.00 H new ATOM 0 HG21 VAL A 134 27.709 -3.394 -7.100 1.00 0.00 H new ATOM 0 HG22 VAL A 134 28.197 -2.057 -6.031 1.00 0.00 H new ATOM 0 HG23 VAL A 134 27.505 -3.543 -5.338 1.00 0.00 H new ATOM 2051 N ILE A 135 25.721 0.883 -4.597 1.00 0.00 N ATOM 2052 CA ILE A 135 26.320 2.196 -4.423 1.00 0.00 C ATOM 2053 C ILE A 135 26.496 2.479 -2.929 1.00 0.00 C ATOM 2054 O ILE A 135 27.152 3.447 -2.550 1.00 0.00 O ATOM 2055 CB ILE A 135 25.504 3.260 -5.158 1.00 0.00 C ATOM 2056 CG1 ILE A 135 24.005 2.957 -5.074 1.00 0.00 C ATOM 2057 CG2 ILE A 135 25.977 3.412 -6.605 1.00 0.00 C ATOM 2058 CD1 ILE A 135 23.577 2.003 -6.191 1.00 0.00 C ATOM 0 H ILE A 135 24.706 0.859 -4.494 1.00 0.00 H new ATOM 0 HA ILE A 135 27.313 2.223 -4.872 1.00 0.00 H new ATOM 0 HB ILE A 135 25.668 4.217 -4.663 1.00 0.00 H new ATOM 0 HG12 ILE A 135 23.773 2.516 -4.105 1.00 0.00 H new ATOM 0 HG13 ILE A 135 23.438 3.885 -5.146 1.00 0.00 H new ATOM 0 HG21 ILE A 135 25.380 4.175 -7.105 1.00 0.00 H new ATOM 0 HG22 ILE A 135 27.026 3.708 -6.616 1.00 0.00 H new ATOM 0 HG23 ILE A 135 25.862 2.462 -7.127 1.00 0.00 H new ATOM 0 HD11 ILE A 135 22.509 1.803 -6.110 1.00 0.00 H new ATOM 0 HD12 ILE A 135 23.788 2.458 -7.159 1.00 0.00 H new ATOM 0 HD13 ILE A 135 24.129 1.067 -6.102 1.00 0.00 H new ATOM 2070 N GLY A 136 25.898 1.615 -2.122 1.00 0.00 N ATOM 2071 CA GLY A 136 25.980 1.760 -0.679 1.00 0.00 C ATOM 2072 C GLY A 136 24.905 2.718 -0.162 1.00 0.00 C ATOM 2073 O GLY A 136 25.127 3.438 0.810 1.00 0.00 O ATOM 0 H GLY A 136 25.355 0.812 -2.440 1.00 0.00 H new ATOM 0 HA2 GLY A 136 25.862 0.786 -0.205 1.00 0.00 H new ATOM 0 HA3 GLY A 136 26.967 2.132 -0.403 1.00 0.00 H new ATOM 2077 N GLU A 137 23.765 2.695 -0.834 1.00 0.00 N ATOM 2078 CA GLU A 137 22.654 3.553 -0.455 1.00 0.00 C ATOM 2079 C GLU A 137 21.544 2.728 0.198 1.00 0.00 C ATOM 2080 O GLU A 137 21.176 1.667 -0.306 1.00 0.00 O ATOM 2081 CB GLU A 137 22.124 4.328 -1.663 1.00 0.00 C ATOM 2082 CG GLU A 137 21.515 5.664 -1.232 1.00 0.00 C ATOM 2083 CD GLU A 137 20.273 5.995 -2.062 1.00 0.00 C ATOM 2084 OE1 GLU A 137 20.423 6.069 -3.301 1.00 0.00 O ATOM 2085 OE2 GLU A 137 19.203 6.165 -1.440 1.00 0.00 O ATOM 0 H GLU A 137 23.585 2.096 -1.640 1.00 0.00 H new ATOM 0 HA GLU A 137 23.014 4.280 0.273 1.00 0.00 H new ATOM 0 HB2 GLU A 137 22.934 4.505 -2.370 1.00 0.00 H new ATOM 0 HB3 GLU A 137 21.373 3.732 -2.181 1.00 0.00 H new ATOM 0 HG2 GLU A 137 21.250 5.623 -0.175 1.00 0.00 H new ATOM 0 HG3 GLU A 137 22.254 6.457 -1.345 1.00 0.00 H new ATOM 2092 N VAL A 138 21.040 3.245 1.308 1.00 0.00 N ATOM 2093 CA VAL A 138 19.978 2.569 2.035 1.00 0.00 C ATOM 2094 C VAL A 138 18.706 2.570 1.187 1.00 0.00 C ATOM 2095 O VAL A 138 18.203 3.629 0.817 1.00 0.00 O ATOM 2096 CB VAL A 138 19.785 3.222 3.405 1.00 0.00 C ATOM 2097 CG1 VAL A 138 21.106 3.278 4.177 1.00 0.00 C ATOM 2098 CG2 VAL A 138 19.170 4.616 3.267 1.00 0.00 C ATOM 0 H VAL A 138 21.347 4.125 1.723 1.00 0.00 H new ATOM 0 HA VAL A 138 20.243 1.528 2.221 1.00 0.00 H new ATOM 0 HB VAL A 138 19.090 2.605 3.975 1.00 0.00 H new ATOM 0 HG11 VAL A 138 20.941 3.747 5.147 1.00 0.00 H new ATOM 0 HG12 VAL A 138 21.486 2.267 4.322 1.00 0.00 H new ATOM 0 HG13 VAL A 138 21.833 3.861 3.612 1.00 0.00 H new ATOM 0 HG21 VAL A 138 19.044 5.057 4.256 1.00 0.00 H new ATOM 0 HG22 VAL A 138 19.828 5.247 2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 138 18.199 4.539 2.777 1.00 0.00 H new ATOM 2108 N LEU A 139 18.221 1.369 0.904 1.00 0.00 N ATOM 2109 CA LEU A 139 17.016 1.217 0.107 1.00 0.00 C ATOM 2110 C LEU A 139 16.795 -0.264 -0.202 1.00 0.00 C ATOM 2111 O LEU A 139 15.850 -0.872 0.297 1.00 0.00 O ATOM 2112 CB LEU A 139 17.084 2.102 -1.140 1.00 0.00 C ATOM 2113 CG LEU A 139 16.113 3.285 -1.177 1.00 0.00 C ATOM 2114 CD1 LEU A 139 16.313 4.117 -2.446 1.00 0.00 C ATOM 2115 CD2 LEU A 139 14.667 2.813 -1.022 1.00 0.00 C ATOM 0 H LEU A 139 18.641 0.492 1.213 1.00 0.00 H new ATOM 0 HA LEU A 139 16.145 1.558 0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 139 18.099 2.488 -1.233 1.00 0.00 H new ATOM 0 HB3 LEU A 139 16.899 1.478 -2.015 1.00 0.00 H new ATOM 0 HG LEU A 139 16.331 3.934 -0.329 1.00 0.00 H new ATOM 0 HD11 LEU A 139 15.611 4.951 -2.448 1.00 0.00 H new ATOM 0 HD12 LEU A 139 17.333 4.501 -2.473 1.00 0.00 H new ATOM 0 HD13 LEU A 139 16.137 3.493 -3.322 1.00 0.00 H new ATOM 0 HD21 LEU A 139 13.998 3.673 -1.052 1.00 0.00 H new ATOM 0 HD22 LEU A 139 14.418 2.131 -1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 139 14.553 2.297 -0.068 1.00 0.00 H new ATOM 2127 N ALA A 140 17.685 -0.804 -1.022 1.00 0.00 N ATOM 2128 CA ALA A 140 17.601 -2.203 -1.402 1.00 0.00 C ATOM 2129 C ALA A 140 18.256 -3.063 -0.317 1.00 0.00 C ATOM 2130 O ALA A 140 18.969 -2.547 0.542 1.00 0.00 O ATOM 2131 CB ALA A 140 18.249 -2.400 -2.773 1.00 0.00 C ATOM 0 H ALA A 140 18.468 -0.297 -1.434 1.00 0.00 H new ATOM 0 HA ALA A 140 16.560 -2.516 -1.486 1.00 0.00 H new ATOM 0 HB1 ALA A 140 18.186 -3.450 -3.058 1.00 0.00 H new ATOM 0 HB2 ALA A 140 17.728 -1.792 -3.512 1.00 0.00 H new ATOM 0 HB3 ALA A 140 19.296 -2.099 -2.727 1.00 0.00 H new ATOM 2137 N GLU A 141 17.993 -4.358 -0.395 1.00 0.00 N ATOM 2138 CA GLU A 141 18.548 -5.295 0.568 1.00 0.00 C ATOM 2139 C GLU A 141 20.036 -5.518 0.292 1.00 0.00 C ATOM 2140 O GLU A 141 20.403 -6.413 -0.469 1.00 0.00 O ATOM 2141 CB GLU A 141 17.781 -6.618 0.550 1.00 0.00 C ATOM 2142 CG GLU A 141 17.935 -7.359 1.882 1.00 0.00 C ATOM 2143 CD GLU A 141 18.238 -8.840 1.653 1.00 0.00 C ATOM 2144 OE1 GLU A 141 19.413 -9.137 1.344 1.00 0.00 O ATOM 2145 OE2 GLU A 141 17.290 -9.642 1.792 1.00 0.00 O ATOM 0 H GLU A 141 17.402 -4.782 -1.111 1.00 0.00 H new ATOM 0 HA GLU A 141 18.444 -4.868 1.565 1.00 0.00 H new ATOM 0 HB2 GLU A 141 16.726 -6.428 0.355 1.00 0.00 H new ATOM 0 HB3 GLU A 141 18.148 -7.244 -0.263 1.00 0.00 H new ATOM 0 HG2 GLU A 141 18.738 -6.906 2.464 1.00 0.00 H new ATOM 0 HG3 GLU A 141 17.021 -7.257 2.467 1.00 0.00 H new ATOM 2152 N VAL A 142 20.854 -4.690 0.927 1.00 0.00 N ATOM 2153 CA VAL A 142 22.294 -4.787 0.759 1.00 0.00 C ATOM 2154 C VAL A 142 22.614 -5.081 -0.708 1.00 0.00 C ATOM 2155 O VAL A 142 23.541 -5.834 -1.006 1.00 0.00 O ATOM 2156 CB VAL A 142 22.863 -5.835 1.718 1.00 0.00 C ATOM 2157 CG1 VAL A 142 22.711 -5.388 3.172 1.00 0.00 C ATOM 2158 CG2 VAL A 142 22.206 -7.199 1.492 1.00 0.00 C ATOM 0 H VAL A 142 20.547 -3.950 1.558 1.00 0.00 H new ATOM 0 HA VAL A 142 22.773 -3.841 1.012 1.00 0.00 H new ATOM 0 HB VAL A 142 23.928 -5.937 1.509 1.00 0.00 H new ATOM 0 HG11 VAL A 142 23.123 -6.151 3.832 1.00 0.00 H new ATOM 0 HG12 VAL A 142 23.246 -4.450 3.322 1.00 0.00 H new ATOM 0 HG13 VAL A 142 21.655 -5.243 3.400 1.00 0.00 H new ATOM 0 HG21 VAL A 142 22.628 -7.926 2.186 1.00 0.00 H new ATOM 0 HG22 VAL A 142 21.132 -7.118 1.660 1.00 0.00 H new ATOM 0 HG23 VAL A 142 22.389 -7.526 0.468 1.00 0.00 H new TER 2168 VAL A 142