USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 863 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 SER OG : rot -154:sc= 0.72 USER MOD Set 1.2: A 83 ASN : amide:sc= 0.938 K(o=1.7,f=-8.2!) USER MOD Set 2.1: A 18 THR OG1 : rot -64:sc= 2.06 USER MOD Set 2.2: A 38 HIS : no HE2:sc= 1.17 K(o=3.2,f=-5.3!) USER MOD Single : A 1 MET CE :methyl -163:sc= -0.122 (180deg=-0.599) USER MOD Single : A 1 MET N :NH3+ -151:sc= 1.22 (180deg=0.109) USER MOD Single : A 5 SER OG : rot 180:sc= 0.166 USER MOD Single : A 6 ASN : amide:sc= -0.0101 X(o=-0.01,f=-0.25) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 HIS : no HD1:sc= -1.16 K(o=-1.2,f=0) USER MOD Single : A 23 GLN : amide:sc= -2.39! C(o=-2.4!,f=-6.5!) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc= -0.175 K(o=-0.17,f=-1.5) USER MOD Single : A 31 ASN : amide:sc= -0.111 X(o=-0.11,f=-0.006) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc=0.000414 USER MOD Single : A 37 MET CE :methyl 157:sc= -0.474 (180deg=-1.3!) USER MOD Single : A 44 ASN : amide:sc= -0.033 K(o=-0.033,f=-0.98) USER MOD Single : A 46 SER OG : rot -87:sc= 0.857 USER MOD Single : A 47 SER OG : rot 88:sc= 0.821 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -171:sc= 1.87 (180deg=1.72) USER MOD Single : A 60 ASN : amide:sc= 0.124 X(o=0.12,f=-0.15) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 135:sc= 1.14 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 76 GLN : amide:sc= -1.13 K(o=-1.1,f=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot -170:sc= 0 USER MOD Single : A 80 GLN : amide:sc= -0.183 X(o=-0.18,f=0) USER MOD Single : A 82 GLN : amide:sc= -0.37 K(o=-0.37,f=-0.97) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.009) USER MOD Single : A 100 LYS NZ :NH3+ -158:sc= -0.0686 (180deg=-0.416) USER MOD Single : A 103 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-0.066) USER MOD Single : A 104 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 105 HIS : no HD1:sc=-0.00378 X(o=-0.0038,f=0) USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HE2:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.456 -1.519 -2.564 1.00 0.00 N ATOM 2 CA MET A 1 -12.835 -2.857 -2.456 1.00 0.00 C ATOM 3 C MET A 1 -11.781 -3.029 -3.542 1.00 0.00 C ATOM 4 O MET A 1 -11.966 -2.575 -4.669 1.00 0.00 O ATOM 5 CB MET A 1 -13.900 -3.949 -2.589 1.00 0.00 C ATOM 6 CG MET A 1 -13.353 -5.356 -2.426 1.00 0.00 C ATOM 7 SD MET A 1 -14.600 -6.631 -2.693 1.00 0.00 S ATOM 8 CE MET A 1 -15.779 -6.224 -1.406 1.00 0.00 C ATOM 0 H1 MET A 1 -13.772 -1.206 -1.624 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.760 -0.843 -2.938 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.273 -1.566 -3.206 1.00 0.00 H new ATOM 0 HA MET A 1 -12.361 -2.945 -1.478 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.676 -3.781 -1.842 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.375 -3.864 -3.566 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.533 -5.505 -3.128 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.938 -5.465 -1.424 1.00 0.00 H new ATOM 0 HE1 MET A 1 -16.441 -7.073 -1.238 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.246 -5.991 -0.484 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.368 -5.360 -1.712 1.00 0.00 H new ATOM 20 N LEU A 2 -10.679 -3.675 -3.195 1.00 0.00 N ATOM 21 CA LEU A 2 -9.596 -3.903 -4.133 1.00 0.00 C ATOM 22 C LEU A 2 -9.617 -5.351 -4.605 1.00 0.00 C ATOM 23 O LEU A 2 -9.268 -6.267 -3.864 1.00 0.00 O ATOM 24 CB LEU A 2 -8.247 -3.564 -3.486 1.00 0.00 C ATOM 25 CG LEU A 2 -7.032 -3.659 -4.410 1.00 0.00 C ATOM 26 CD1 LEU A 2 -7.176 -2.692 -5.571 1.00 0.00 C ATOM 27 CD2 LEU A 2 -5.755 -3.375 -3.633 1.00 0.00 C ATOM 0 H LEU A 2 -10.512 -4.053 -2.262 1.00 0.00 H new ATOM 0 HA LEU A 2 -9.732 -3.251 -4.996 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.300 -2.551 -3.086 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -8.091 -4.233 -2.640 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.975 -4.671 -4.810 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -6.304 -2.771 -6.220 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.074 -2.936 -6.138 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.253 -1.674 -5.189 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -4.898 -3.446 -4.303 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -5.802 -2.372 -3.209 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.649 -4.104 -2.829 1.00 0.00 H new ATOM 39 N VAL A 3 -10.080 -5.543 -5.823 1.00 0.00 N ATOM 40 CA VAL A 3 -10.131 -6.863 -6.430 1.00 0.00 C ATOM 41 C VAL A 3 -8.735 -7.310 -6.863 1.00 0.00 C ATOM 42 O VAL A 3 -8.116 -6.694 -7.732 1.00 0.00 O ATOM 43 CB VAL A 3 -11.081 -6.893 -7.647 1.00 0.00 C ATOM 44 CG1 VAL A 3 -11.198 -8.301 -8.203 1.00 0.00 C ATOM 45 CG2 VAL A 3 -12.453 -6.355 -7.276 1.00 0.00 C ATOM 0 H VAL A 3 -10.431 -4.794 -6.420 1.00 0.00 H new ATOM 0 HA VAL A 3 -10.515 -7.550 -5.676 1.00 0.00 H new ATOM 0 HB VAL A 3 -10.658 -6.251 -8.419 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -11.872 -8.299 -9.060 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -10.214 -8.652 -8.516 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -11.592 -8.965 -7.433 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -13.104 -6.386 -8.149 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -12.881 -6.967 -6.482 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -12.359 -5.326 -6.930 1.00 0.00 H new ATOM 55 N ILE A 4 -8.239 -8.368 -6.236 1.00 0.00 N ATOM 56 CA ILE A 4 -6.923 -8.898 -6.565 1.00 0.00 C ATOM 57 C ILE A 4 -7.052 -10.034 -7.574 1.00 0.00 C ATOM 58 O ILE A 4 -6.439 -10.012 -8.642 1.00 0.00 O ATOM 59 CB ILE A 4 -6.190 -9.410 -5.300 1.00 0.00 C ATOM 60 CG1 ILE A 4 -6.004 -8.273 -4.288 1.00 0.00 C ATOM 61 CG2 ILE A 4 -4.843 -10.021 -5.664 1.00 0.00 C ATOM 62 CD1 ILE A 4 -5.174 -7.116 -4.809 1.00 0.00 C ATOM 0 H ILE A 4 -8.727 -8.875 -5.498 1.00 0.00 H new ATOM 0 HA ILE A 4 -6.337 -8.088 -6.999 1.00 0.00 H new ATOM 0 HB ILE A 4 -6.805 -10.185 -4.843 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -6.984 -7.900 -3.992 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -5.530 -8.672 -3.391 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -4.347 -10.373 -4.760 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -4.995 -10.859 -6.344 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -4.221 -9.268 -6.149 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.088 -6.353 -4.036 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.180 -7.473 -5.078 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -5.656 -6.689 -5.688 1.00 0.00 H new ATOM 74 N SER A 5 -7.876 -11.012 -7.237 1.00 0.00 N ATOM 75 CA SER A 5 -8.083 -12.164 -8.092 1.00 0.00 C ATOM 76 C SER A 5 -9.554 -12.565 -8.052 1.00 0.00 C ATOM 77 O SER A 5 -10.364 -11.891 -7.409 1.00 0.00 O ATOM 78 CB SER A 5 -7.179 -13.320 -7.647 1.00 0.00 C ATOM 79 OG SER A 5 -7.181 -14.376 -8.597 1.00 0.00 O ATOM 0 H SER A 5 -8.415 -11.029 -6.371 1.00 0.00 H new ATOM 0 HA SER A 5 -7.820 -11.912 -9.119 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.161 -12.955 -7.509 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.517 -13.697 -6.681 1.00 0.00 H new ATOM 0 HG SER A 5 -6.595 -15.097 -8.286 1.00 0.00 H new ATOM 85 N ASN A 6 -9.890 -13.660 -8.717 1.00 0.00 N ATOM 86 CA ASN A 6 -11.277 -14.099 -8.851 1.00 0.00 C ATOM 87 C ASN A 6 -11.914 -14.365 -7.491 1.00 0.00 C ATOM 88 O ASN A 6 -13.048 -13.958 -7.235 1.00 0.00 O ATOM 89 CB ASN A 6 -11.356 -15.361 -9.714 1.00 0.00 C ATOM 90 CG ASN A 6 -10.700 -15.179 -11.069 1.00 0.00 C ATOM 91 OD1 ASN A 6 -9.506 -15.426 -11.229 1.00 0.00 O ATOM 92 ND2 ASN A 6 -11.472 -14.750 -12.053 1.00 0.00 N ATOM 0 H ASN A 6 -9.215 -14.269 -9.178 1.00 0.00 H new ATOM 0 HA ASN A 6 -11.830 -13.294 -9.335 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -10.876 -16.187 -9.189 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -12.401 -15.637 -9.854 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -11.081 -14.613 -12.985 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -12.458 -14.556 -11.880 1.00 0.00 H new ATOM 99 N ASN A 7 -11.181 -15.039 -6.618 1.00 0.00 N ATOM 100 CA ASN A 7 -11.693 -15.371 -5.291 1.00 0.00 C ATOM 101 C ASN A 7 -10.944 -14.609 -4.210 1.00 0.00 C ATOM 102 O ASN A 7 -11.042 -14.934 -3.027 1.00 0.00 O ATOM 103 CB ASN A 7 -11.580 -16.873 -5.027 1.00 0.00 C ATOM 104 CG ASN A 7 -12.533 -17.696 -5.871 1.00 0.00 C ATOM 105 OD1 ASN A 7 -12.202 -18.098 -6.987 1.00 0.00 O ATOM 106 ND2 ASN A 7 -13.719 -17.961 -5.346 1.00 0.00 N ATOM 0 H ASN A 7 -10.233 -15.367 -6.800 1.00 0.00 H new ATOM 0 HA ASN A 7 -12.743 -15.081 -5.263 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -10.558 -17.195 -5.225 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -11.777 -17.067 -3.973 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -14.396 -18.516 -5.869 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -13.956 -17.610 -4.418 1.00 0.00 H new ATOM 113 N VAL A 8 -10.222 -13.574 -4.612 1.00 0.00 N ATOM 114 CA VAL A 8 -9.445 -12.787 -3.670 1.00 0.00 C ATOM 115 C VAL A 8 -9.841 -11.322 -3.764 1.00 0.00 C ATOM 116 O VAL A 8 -9.682 -10.682 -4.806 1.00 0.00 O ATOM 117 CB VAL A 8 -7.921 -12.919 -3.919 1.00 0.00 C ATOM 118 CG1 VAL A 8 -7.136 -12.132 -2.881 1.00 0.00 C ATOM 119 CG2 VAL A 8 -7.497 -14.380 -3.913 1.00 0.00 C ATOM 0 H VAL A 8 -10.159 -13.261 -5.581 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.660 -13.172 -2.673 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.702 -12.504 -4.903 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.069 -12.238 -3.074 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.412 -11.079 -2.938 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.364 -12.514 -1.886 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.424 -14.448 -4.090 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.734 -14.824 -2.946 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.029 -14.916 -4.699 1.00 0.00 H new ATOM 129 N HIS A 9 -10.347 -10.799 -2.666 1.00 0.00 N ATOM 130 CA HIS A 9 -10.789 -9.412 -2.600 1.00 0.00 C ATOM 131 C HIS A 9 -10.242 -8.751 -1.349 1.00 0.00 C ATOM 132 O HIS A 9 -10.123 -9.392 -0.308 1.00 0.00 O ATOM 133 CB HIS A 9 -12.321 -9.332 -2.590 1.00 0.00 C ATOM 134 CG HIS A 9 -12.972 -9.881 -3.822 1.00 0.00 C ATOM 135 ND1 HIS A 9 -13.453 -11.171 -3.912 1.00 0.00 N ATOM 136 CD2 HIS A 9 -13.218 -9.309 -5.020 1.00 0.00 C ATOM 137 CE1 HIS A 9 -13.965 -11.363 -5.111 1.00 0.00 C ATOM 138 NE2 HIS A 9 -13.834 -10.249 -5.803 1.00 0.00 N ATOM 0 H HIS A 9 -10.465 -11.317 -1.795 1.00 0.00 H new ATOM 0 HA HIS A 9 -10.414 -8.892 -3.481 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -12.696 -9.874 -1.722 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -12.619 -8.290 -2.469 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -12.974 -8.297 -5.308 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -14.416 -12.278 -5.466 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -14.141 -10.109 -6.765 1.00 0.00 H new ATOM 147 N LEU A 10 -9.900 -7.479 -1.453 1.00 0.00 N ATOM 148 CA LEU A 10 -9.432 -6.720 -0.309 1.00 0.00 C ATOM 149 C LEU A 10 -10.466 -5.677 0.081 1.00 0.00 C ATOM 150 O LEU A 10 -10.684 -4.705 -0.644 1.00 0.00 O ATOM 151 CB LEU A 10 -8.092 -6.051 -0.617 1.00 0.00 C ATOM 152 CG LEU A 10 -6.924 -7.014 -0.823 1.00 0.00 C ATOM 153 CD1 LEU A 10 -5.662 -6.243 -1.159 1.00 0.00 C ATOM 154 CD2 LEU A 10 -6.712 -7.870 0.418 1.00 0.00 C ATOM 0 H LEU A 10 -9.938 -6.948 -2.323 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.288 -7.404 0.527 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.204 -5.442 -1.514 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.845 -5.373 0.200 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.161 -7.674 -1.657 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.837 -6.941 -1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.818 -5.671 -2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.423 -5.563 -0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.876 -8.550 0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.494 -7.227 1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.614 -8.447 0.620 1.00 0.00 H new ATOM 166 N PRO A 11 -11.148 -5.895 1.211 1.00 0.00 N ATOM 167 CA PRO A 11 -12.146 -4.960 1.731 1.00 0.00 C ATOM 168 C PRO A 11 -11.520 -3.632 2.136 1.00 0.00 C ATOM 169 O PRO A 11 -10.400 -3.595 2.651 1.00 0.00 O ATOM 170 CB PRO A 11 -12.717 -5.676 2.967 1.00 0.00 C ATOM 171 CG PRO A 11 -12.307 -7.100 2.817 1.00 0.00 C ATOM 172 CD PRO A 11 -11.006 -7.073 2.075 1.00 0.00 C ATOM 0 HA PRO A 11 -12.901 -4.717 0.984 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -12.322 -5.247 3.888 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -13.802 -5.581 3.011 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -12.193 -7.579 3.790 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.059 -7.668 2.268 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -10.157 -6.978 2.751 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.852 -7.983 1.496 1.00 0.00 H new ATOM 180 N ASP A 12 -12.250 -2.546 1.902 1.00 0.00 N ATOM 181 CA ASP A 12 -11.799 -1.212 2.270 1.00 0.00 C ATOM 182 C ASP A 12 -11.490 -1.124 3.758 1.00 0.00 C ATOM 183 O ASP A 12 -10.599 -0.384 4.177 1.00 0.00 O ATOM 184 CB ASP A 12 -12.868 -0.182 1.913 1.00 0.00 C ATOM 185 CG ASP A 12 -12.895 0.166 0.439 1.00 0.00 C ATOM 186 OD1 ASP A 12 -11.947 0.824 -0.042 1.00 0.00 O ATOM 187 OD2 ASP A 12 -13.875 -0.196 -0.248 1.00 0.00 O ATOM 0 H ASP A 12 -13.166 -2.567 1.454 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.885 -1.003 1.714 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -13.845 -0.566 2.207 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -12.695 0.726 2.491 1.00 0.00 H new ATOM 192 N ALA A 13 -12.233 -1.889 4.550 1.00 0.00 N ATOM 193 CA ALA A 13 -12.058 -1.909 6.001 1.00 0.00 C ATOM 194 C ALA A 13 -10.670 -2.407 6.409 1.00 0.00 C ATOM 195 O ALA A 13 -10.177 -2.065 7.485 1.00 0.00 O ATOM 196 CB ALA A 13 -13.128 -2.773 6.649 1.00 0.00 C ATOM 0 H ALA A 13 -12.968 -2.509 4.210 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.156 -0.881 6.351 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.986 -2.779 7.730 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -14.113 -2.369 6.415 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.054 -3.791 6.268 1.00 0.00 H new ATOM 202 N GLU A 14 -10.040 -3.204 5.551 1.00 0.00 N ATOM 203 CA GLU A 14 -8.721 -3.754 5.852 1.00 0.00 C ATOM 204 C GLU A 14 -7.618 -2.856 5.296 1.00 0.00 C ATOM 205 O GLU A 14 -6.431 -3.179 5.381 1.00 0.00 O ATOM 206 CB GLU A 14 -8.584 -5.170 5.285 1.00 0.00 C ATOM 207 CG GLU A 14 -9.637 -6.134 5.803 1.00 0.00 C ATOM 208 CD GLU A 14 -9.406 -7.563 5.357 1.00 0.00 C ATOM 209 OE1 GLU A 14 -8.762 -7.775 4.306 1.00 0.00 O ATOM 210 OE2 GLU A 14 -9.870 -8.485 6.055 1.00 0.00 O ATOM 0 H GLU A 14 -10.419 -3.483 4.646 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.616 -3.800 6.936 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.647 -5.125 4.198 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.595 -5.557 5.531 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.650 -6.097 6.892 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.619 -5.807 5.461 1.00 0.00 H new ATOM 217 N ILE A 15 -8.021 -1.722 4.744 1.00 0.00 N ATOM 218 CA ILE A 15 -7.083 -0.772 4.166 1.00 0.00 C ATOM 219 C ILE A 15 -7.097 0.533 4.952 1.00 0.00 C ATOM 220 O ILE A 15 -8.126 1.205 5.041 1.00 0.00 O ATOM 221 CB ILE A 15 -7.419 -0.478 2.684 1.00 0.00 C ATOM 222 CG1 ILE A 15 -7.458 -1.782 1.880 1.00 0.00 C ATOM 223 CG2 ILE A 15 -6.398 0.485 2.090 1.00 0.00 C ATOM 224 CD1 ILE A 15 -7.913 -1.604 0.445 1.00 0.00 C ATOM 0 H ILE A 15 -8.998 -1.436 4.684 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.091 -1.220 4.216 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.403 -0.011 2.635 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.464 -2.229 1.883 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -8.126 -2.485 2.378 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.647 0.682 1.047 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.412 1.420 2.650 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.404 0.042 2.148 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.914 -2.571 -0.059 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.920 -1.186 0.432 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.232 -0.927 -0.071 1.00 0.00 H new ATOM 236 N GLU A 16 -5.961 0.881 5.535 1.00 0.00 N ATOM 237 CA GLU A 16 -5.850 2.105 6.304 1.00 0.00 C ATOM 238 C GLU A 16 -5.208 3.208 5.469 1.00 0.00 C ATOM 239 O GLU A 16 -3.984 3.272 5.322 1.00 0.00 O ATOM 240 CB GLU A 16 -5.046 1.854 7.586 1.00 0.00 C ATOM 241 CG GLU A 16 -4.743 3.108 8.398 1.00 0.00 C ATOM 242 CD GLU A 16 -5.987 3.881 8.781 1.00 0.00 C ATOM 243 OE1 GLU A 16 -6.887 3.291 9.413 1.00 0.00 O ATOM 244 OE2 GLU A 16 -6.060 5.090 8.469 1.00 0.00 O ATOM 0 H GLU A 16 -5.103 0.331 5.489 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.851 2.433 6.583 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.597 1.154 8.214 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.105 1.372 7.321 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.204 2.827 9.303 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.082 3.756 7.822 1.00 0.00 H new ATOM 251 N LEU A 17 -6.047 4.050 4.891 1.00 0.00 N ATOM 252 CA LEU A 17 -5.580 5.205 4.148 1.00 0.00 C ATOM 253 C LEU A 17 -5.927 6.478 4.901 1.00 0.00 C ATOM 254 O LEU A 17 -7.091 6.870 4.979 1.00 0.00 O ATOM 255 CB LEU A 17 -6.198 5.223 2.747 1.00 0.00 C ATOM 256 CG LEU A 17 -5.613 4.203 1.769 1.00 0.00 C ATOM 257 CD1 LEU A 17 -6.495 4.075 0.538 1.00 0.00 C ATOM 258 CD2 LEU A 17 -4.207 4.609 1.364 1.00 0.00 C ATOM 0 H LEU A 17 -7.062 3.953 4.923 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.497 5.144 4.042 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.270 5.045 2.837 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.075 6.220 2.325 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.571 3.234 2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.062 3.345 -0.146 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.491 3.747 0.836 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.566 5.042 0.039 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.802 3.874 0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -4.235 5.587 0.884 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.573 4.657 2.249 1.00 0.00 H new ATOM 270 N THR A 18 -4.908 7.120 5.439 1.00 0.00 N ATOM 271 CA THR A 18 -5.098 8.305 6.254 1.00 0.00 C ATOM 272 C THR A 18 -4.693 9.554 5.476 1.00 0.00 C ATOM 273 O THR A 18 -3.857 9.482 4.580 1.00 0.00 O ATOM 274 CB THR A 18 -4.260 8.209 7.545 1.00 0.00 C ATOM 275 OG1 THR A 18 -3.981 6.831 7.850 1.00 0.00 O ATOM 276 CG2 THR A 18 -4.992 8.849 8.715 1.00 0.00 C ATOM 0 H THR A 18 -3.934 6.839 5.325 1.00 0.00 H new ATOM 0 HA THR A 18 -6.154 8.373 6.517 1.00 0.00 H new ATOM 0 HB THR A 18 -3.324 8.744 7.383 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.820 6.363 8.045 1.00 0.00 H new ATOM 0 HG21 THR A 18 -4.381 8.769 9.614 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.179 9.900 8.496 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.941 8.337 8.874 1.00 0.00 H new ATOM 284 N ALA A 19 -5.279 10.691 5.809 1.00 0.00 N ATOM 285 CA ALA A 19 -4.947 11.941 5.139 1.00 0.00 C ATOM 286 C ALA A 19 -4.125 12.833 6.059 1.00 0.00 C ATOM 287 O ALA A 19 -4.599 13.245 7.118 1.00 0.00 O ATOM 288 CB ALA A 19 -6.216 12.655 4.686 1.00 0.00 C ATOM 0 H ALA A 19 -5.987 10.777 6.538 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.349 11.716 4.256 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.951 13.587 4.187 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.765 12.017 3.994 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.840 12.872 5.553 1.00 0.00 H new ATOM 294 N ILE A 20 -2.893 13.120 5.659 1.00 0.00 N ATOM 295 CA ILE A 20 -1.991 13.919 6.472 1.00 0.00 C ATOM 296 C ILE A 20 -2.022 15.376 6.033 1.00 0.00 C ATOM 297 O ILE A 20 -1.827 15.690 4.859 1.00 0.00 O ATOM 298 CB ILE A 20 -0.536 13.404 6.385 1.00 0.00 C ATOM 299 CG1 ILE A 20 -0.452 11.931 6.798 1.00 0.00 C ATOM 300 CG2 ILE A 20 0.381 14.254 7.256 1.00 0.00 C ATOM 301 CD1 ILE A 20 0.942 11.349 6.670 1.00 0.00 C ATOM 0 H ILE A 20 -2.496 12.809 4.772 1.00 0.00 H new ATOM 0 HA ILE A 20 -2.334 13.834 7.503 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.207 13.485 5.349 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.786 11.831 7.831 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -1.139 11.349 6.183 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.402 13.879 7.184 1.00 0.00 H new ATOM 0 HG22 ILE A 20 0.350 15.289 6.915 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.048 14.203 8.293 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.930 10.304 6.979 1.00 0.00 H new ATOM 0 HD12 ILE A 20 1.271 11.417 5.633 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.629 11.907 7.306 1.00 0.00 H new ATOM 313 N ARG A 21 -2.293 16.262 6.973 1.00 0.00 N ATOM 314 CA ARG A 21 -2.228 17.688 6.707 1.00 0.00 C ATOM 315 C ARG A 21 -0.859 18.243 7.070 1.00 0.00 C ATOM 316 O ARG A 21 -0.140 17.675 7.891 1.00 0.00 O ATOM 317 CB ARG A 21 -3.318 18.447 7.465 1.00 0.00 C ATOM 318 CG ARG A 21 -4.671 18.396 6.781 1.00 0.00 C ATOM 319 CD ARG A 21 -5.659 19.347 7.432 1.00 0.00 C ATOM 320 NE ARG A 21 -6.898 19.451 6.665 1.00 0.00 N ATOM 321 CZ ARG A 21 -7.602 20.577 6.527 1.00 0.00 C ATOM 322 NH1 ARG A 21 -7.217 21.685 7.154 1.00 0.00 N ATOM 323 NH2 ARG A 21 -8.693 20.592 5.771 1.00 0.00 N ATOM 0 H ARG A 21 -2.560 16.020 7.927 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.394 17.829 5.639 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.410 18.031 8.468 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -3.015 19.488 7.578 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -4.557 18.652 5.728 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.062 17.379 6.821 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.884 19.002 8.441 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.206 20.334 7.526 1.00 0.00 H new ATOM 0 HE ARG A 21 -7.247 18.610 6.206 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.383 21.675 7.741 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.756 22.545 7.048 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -8.995 19.742 5.294 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -9.229 21.453 5.667 1.00 0.00 H new ATOM 337 N ALA A 22 -0.500 19.345 6.435 1.00 0.00 N ATOM 338 CA ALA A 22 0.765 20.005 6.697 1.00 0.00 C ATOM 339 C ALA A 22 0.514 21.355 7.351 1.00 0.00 C ATOM 340 O ALA A 22 -0.604 21.631 7.789 1.00 0.00 O ATOM 341 CB ALA A 22 1.544 20.162 5.401 1.00 0.00 C ATOM 0 H ALA A 22 -1.074 19.804 5.728 1.00 0.00 H new ATOM 0 HA ALA A 22 1.359 19.398 7.380 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.493 20.658 5.605 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.734 19.179 4.969 1.00 0.00 H new ATOM 0 HB3 ALA A 22 0.965 20.761 4.699 1.00 0.00 H new ATOM 347 N GLN A 23 1.539 22.189 7.426 1.00 0.00 N ATOM 348 CA GLN A 23 1.392 23.503 8.022 1.00 0.00 C ATOM 349 C GLN A 23 0.590 24.416 7.104 1.00 0.00 C ATOM 350 O GLN A 23 0.844 24.494 5.902 1.00 0.00 O ATOM 351 CB GLN A 23 2.753 24.128 8.359 1.00 0.00 C ATOM 352 CG GLN A 23 3.722 24.262 7.187 1.00 0.00 C ATOM 353 CD GLN A 23 4.395 22.954 6.807 1.00 0.00 C ATOM 354 OE1 GLN A 23 3.901 22.208 5.963 1.00 0.00 O ATOM 355 NE2 GLN A 23 5.524 22.663 7.433 1.00 0.00 N ATOM 0 H GLN A 23 2.476 21.979 7.083 1.00 0.00 H new ATOM 0 HA GLN A 23 0.848 23.384 8.959 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.584 25.118 8.783 1.00 0.00 H new ATOM 0 HB3 GLN A 23 3.228 23.526 9.134 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.183 24.649 6.322 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.487 24.996 7.440 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.903 23.307 8.127 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.015 21.795 7.221 1.00 0.00 H new ATOM 364 N GLY A 24 -0.388 25.093 7.683 1.00 0.00 N ATOM 365 CA GLY A 24 -1.265 25.951 6.907 1.00 0.00 C ATOM 366 C GLY A 24 -1.077 27.412 7.247 1.00 0.00 C ATOM 367 O GLY A 24 -2.039 28.182 7.269 1.00 0.00 O ATOM 0 H GLY A 24 -0.593 25.065 8.682 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.074 25.799 5.845 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.302 25.668 7.088 1.00 0.00 H new ATOM 371 N ALA A 25 0.160 27.787 7.522 1.00 0.00 N ATOM 372 CA ALA A 25 0.493 29.158 7.870 1.00 0.00 C ATOM 373 C ALA A 25 1.889 29.499 7.374 1.00 0.00 C ATOM 374 O ALA A 25 2.712 28.607 7.166 1.00 0.00 O ATOM 375 CB ALA A 25 0.403 29.359 9.373 1.00 0.00 C ATOM 0 H ALA A 25 0.959 27.153 7.511 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.223 29.825 7.389 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.655 30.391 9.618 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.611 29.144 9.709 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.101 28.687 9.872 1.00 0.00 H new ATOM 381 N GLY A 26 2.146 30.781 7.174 1.00 0.00 N ATOM 382 CA GLY A 26 3.452 31.216 6.733 1.00 0.00 C ATOM 383 C GLY A 26 3.503 32.713 6.531 1.00 0.00 C ATOM 384 O GLY A 26 2.591 33.427 6.951 1.00 0.00 O ATOM 0 H GLY A 26 1.469 31.532 7.310 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.201 30.922 7.468 1.00 0.00 H new ATOM 0 HA3 GLY A 26 3.707 30.714 5.800 1.00 0.00 H new ATOM 388 N GLY A 27 4.559 33.188 5.894 1.00 0.00 N ATOM 389 CA GLY A 27 4.697 34.607 5.630 1.00 0.00 C ATOM 390 C GLY A 27 3.631 35.118 4.684 1.00 0.00 C ATOM 391 O GLY A 27 2.949 36.098 4.976 1.00 0.00 O ATOM 0 H GLY A 27 5.330 32.614 5.552 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.641 35.157 6.569 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.682 34.802 5.205 1.00 0.00 H new ATOM 395 N GLN A 28 3.470 34.442 3.558 1.00 0.00 N ATOM 396 CA GLN A 28 2.490 34.847 2.560 1.00 0.00 C ATOM 397 C GLN A 28 1.217 34.021 2.707 1.00 0.00 C ATOM 398 O GLN A 28 0.269 34.166 1.929 1.00 0.00 O ATOM 399 CB GLN A 28 3.076 34.682 1.153 1.00 0.00 C ATOM 400 CG GLN A 28 2.241 35.324 0.058 1.00 0.00 C ATOM 401 CD GLN A 28 2.710 34.947 -1.331 1.00 0.00 C ATOM 402 OE1 GLN A 28 2.244 33.962 -1.911 1.00 0.00 O ATOM 403 NE2 GLN A 28 3.642 35.709 -1.871 1.00 0.00 N ATOM 0 H GLN A 28 4.005 33.610 3.311 1.00 0.00 H new ATOM 0 HA GLN A 28 2.241 35.897 2.714 1.00 0.00 H new ATOM 0 HB2 GLN A 28 4.076 35.114 1.134 1.00 0.00 H new ATOM 0 HB3 GLN A 28 3.184 33.619 0.938 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.200 35.026 0.179 1.00 0.00 H new ATOM 0 HG3 GLN A 28 2.277 36.408 0.168 1.00 0.00 H new ATOM 0 HE21 GLN A 28 4.002 36.515 -1.359 1.00 0.00 H new ATOM 0 HE22 GLN A 28 4.003 35.492 -2.800 1.00 0.00 H new ATOM 412 N ASN A 29 1.208 33.188 3.739 1.00 0.00 N ATOM 413 CA ASN A 29 0.116 32.244 4.007 1.00 0.00 C ATOM 414 C ASN A 29 0.062 31.146 2.943 1.00 0.00 C ATOM 415 O ASN A 29 0.377 31.374 1.775 1.00 0.00 O ATOM 416 CB ASN A 29 -1.241 32.960 4.079 1.00 0.00 C ATOM 417 CG ASN A 29 -2.384 32.024 4.427 1.00 0.00 C ATOM 418 OD1 ASN A 29 -2.208 31.056 5.168 1.00 0.00 O ATOM 419 ND2 ASN A 29 -3.561 32.296 3.886 1.00 0.00 N ATOM 0 H ASN A 29 1.963 33.143 4.424 1.00 0.00 H new ATOM 0 HA ASN A 29 0.320 31.788 4.976 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.188 33.754 4.824 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.447 33.436 3.120 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -4.362 31.694 4.078 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.667 33.107 3.277 1.00 0.00 H new ATOM 426 N VAL A 30 -0.321 29.952 3.359 1.00 0.00 N ATOM 427 CA VAL A 30 -0.525 28.849 2.438 1.00 0.00 C ATOM 428 C VAL A 30 -1.929 28.279 2.617 1.00 0.00 C ATOM 429 O VAL A 30 -2.211 27.562 3.576 1.00 0.00 O ATOM 430 CB VAL A 30 0.537 27.734 2.604 1.00 0.00 C ATOM 431 CG1 VAL A 30 1.854 28.156 1.970 1.00 0.00 C ATOM 432 CG2 VAL A 30 0.749 27.382 4.071 1.00 0.00 C ATOM 0 H VAL A 30 -0.498 29.721 4.337 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.415 29.241 1.427 1.00 0.00 H new ATOM 0 HB VAL A 30 0.167 26.845 2.094 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.589 27.361 2.096 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.702 28.345 0.907 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.215 29.064 2.452 1.00 0.00 H new ATOM 0 HG21 VAL A 30 1.500 26.596 4.152 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.088 28.266 4.612 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.190 27.032 4.500 1.00 0.00 H new ATOM 442 N ASN A 31 -2.810 28.619 1.688 1.00 0.00 N ATOM 443 CA ASN A 31 -4.216 28.235 1.782 1.00 0.00 C ATOM 444 C ASN A 31 -4.443 26.910 1.063 1.00 0.00 C ATOM 445 O ASN A 31 -5.544 26.610 0.599 1.00 0.00 O ATOM 446 CB ASN A 31 -5.088 29.328 1.164 1.00 0.00 C ATOM 447 CG ASN A 31 -6.504 29.341 1.710 1.00 0.00 C ATOM 448 OD1 ASN A 31 -6.792 30.003 2.710 1.00 0.00 O ATOM 449 ND2 ASN A 31 -7.401 28.623 1.054 1.00 0.00 N ATOM 0 H ASN A 31 -2.578 29.162 0.856 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.487 28.114 2.831 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -4.626 30.299 1.345 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.123 29.189 0.084 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.370 28.604 1.372 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -7.123 28.089 0.231 1.00 0.00 H new ATOM 456 N LYS A 32 -3.397 26.115 0.985 1.00 0.00 N ATOM 457 CA LYS A 32 -3.462 24.844 0.293 1.00 0.00 C ATOM 458 C LYS A 32 -3.461 23.687 1.288 1.00 0.00 C ATOM 459 O LYS A 32 -2.854 23.768 2.358 1.00 0.00 O ATOM 460 CB LYS A 32 -2.280 24.706 -0.672 1.00 0.00 C ATOM 461 CG LYS A 32 -0.928 24.611 0.023 1.00 0.00 C ATOM 462 CD LYS A 32 0.200 24.356 -0.962 1.00 0.00 C ATOM 463 CE LYS A 32 1.515 24.117 -0.238 1.00 0.00 C ATOM 464 NZ LYS A 32 2.632 23.850 -1.180 1.00 0.00 N ATOM 0 H LYS A 32 -2.487 26.327 1.394 1.00 0.00 H new ATOM 0 HA LYS A 32 -4.391 24.811 -0.276 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.426 23.817 -1.286 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -2.272 25.562 -1.347 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -0.733 25.536 0.566 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.955 23.808 0.760 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.041 23.491 -1.580 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.301 25.209 -1.633 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.756 24.988 0.372 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.405 23.272 0.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 3.509 23.693 -0.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.415 23.004 -1.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.755 24.666 -1.813 1.00 0.00 H new ATOM 478 N VAL A 33 -4.153 22.616 0.937 1.00 0.00 N ATOM 479 CA VAL A 33 -4.160 21.415 1.752 1.00 0.00 C ATOM 480 C VAL A 33 -3.041 20.484 1.289 1.00 0.00 C ATOM 481 O VAL A 33 -2.588 20.574 0.147 1.00 0.00 O ATOM 482 CB VAL A 33 -5.533 20.694 1.683 1.00 0.00 C ATOM 483 CG1 VAL A 33 -5.805 20.163 0.282 1.00 0.00 C ATOM 484 CG2 VAL A 33 -5.622 19.577 2.718 1.00 0.00 C ATOM 0 H VAL A 33 -4.718 22.555 0.090 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.992 21.697 2.791 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.304 21.428 1.918 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.773 19.663 0.264 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.811 20.991 -0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -5.025 19.454 0.004 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.595 19.091 2.646 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.836 18.845 2.532 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.499 19.996 3.717 1.00 0.00 H new ATOM 494 N SER A 34 -2.574 19.616 2.172 1.00 0.00 N ATOM 495 CA SER A 34 -1.511 18.692 1.818 1.00 0.00 C ATOM 496 C SER A 34 -2.069 17.554 0.974 1.00 0.00 C ATOM 497 O SER A 34 -3.251 17.220 1.063 1.00 0.00 O ATOM 498 CB SER A 34 -0.836 18.132 3.068 1.00 0.00 C ATOM 499 OG SER A 34 0.350 17.424 2.738 1.00 0.00 O ATOM 0 H SER A 34 -2.911 19.533 3.131 1.00 0.00 H new ATOM 0 HA SER A 34 -0.764 19.236 1.240 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.598 18.947 3.752 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.525 17.469 3.590 1.00 0.00 H new ATOM 0 HG SER A 34 0.763 17.078 3.557 1.00 0.00 H new ATOM 505 N SER A 35 -1.210 16.961 0.171 1.00 0.00 N ATOM 506 CA SER A 35 -1.613 15.883 -0.714 1.00 0.00 C ATOM 507 C SER A 35 -1.052 14.559 -0.201 1.00 0.00 C ATOM 508 O SER A 35 -1.317 13.493 -0.757 1.00 0.00 O ATOM 509 CB SER A 35 -1.119 16.173 -2.139 1.00 0.00 C ATOM 510 OG SER A 35 -1.671 15.271 -3.080 1.00 0.00 O ATOM 0 H SER A 35 -0.222 17.208 0.112 1.00 0.00 H new ATOM 0 HA SER A 35 -2.700 15.811 -0.734 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.384 17.194 -2.415 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.031 16.107 -2.167 1.00 0.00 H new ATOM 0 HG SER A 35 -1.069 15.191 -3.849 1.00 0.00 H new ATOM 516 N ALA A 36 -0.299 14.641 0.893 1.00 0.00 N ATOM 517 CA ALA A 36 0.383 13.486 1.451 1.00 0.00 C ATOM 518 C ALA A 36 -0.579 12.599 2.228 1.00 0.00 C ATOM 519 O ALA A 36 -1.104 12.988 3.270 1.00 0.00 O ATOM 520 CB ALA A 36 1.532 13.932 2.344 1.00 0.00 C ATOM 0 H ALA A 36 -0.148 15.506 1.412 1.00 0.00 H new ATOM 0 HA ALA A 36 0.785 12.900 0.624 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.034 13.056 2.755 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.242 14.516 1.759 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.144 14.544 3.158 1.00 0.00 H new ATOM 526 N MET A 37 -0.827 11.419 1.699 1.00 0.00 N ATOM 527 CA MET A 37 -1.658 10.442 2.378 1.00 0.00 C ATOM 528 C MET A 37 -0.798 9.387 3.061 1.00 0.00 C ATOM 529 O MET A 37 0.290 9.054 2.599 1.00 0.00 O ATOM 530 CB MET A 37 -2.625 9.767 1.402 1.00 0.00 C ATOM 531 CG MET A 37 -3.634 10.720 0.775 1.00 0.00 C ATOM 532 SD MET A 37 -5.029 9.860 0.024 1.00 0.00 S ATOM 533 CE MET A 37 -5.735 9.054 1.460 1.00 0.00 C ATOM 0 H MET A 37 -0.464 11.111 0.797 1.00 0.00 H new ATOM 0 HA MET A 37 -2.239 10.971 3.133 1.00 0.00 H new ATOM 0 HB2 MET A 37 -2.050 9.289 0.609 1.00 0.00 H new ATOM 0 HB3 MET A 37 -3.163 8.977 1.927 1.00 0.00 H new ATOM 0 HG2 MET A 37 -4.003 11.405 1.538 1.00 0.00 H new ATOM 0 HG3 MET A 37 -3.135 11.325 0.018 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.786 8.832 1.273 1.00 0.00 H new ATOM 0 HE2 MET A 37 -5.198 8.126 1.658 1.00 0.00 H new ATOM 0 HE3 MET A 37 -5.652 9.713 2.325 1.00 0.00 H new ATOM 543 N HIS A 38 -1.301 8.871 4.167 1.00 0.00 N ATOM 544 CA HIS A 38 -0.625 7.835 4.931 1.00 0.00 C ATOM 545 C HIS A 38 -1.226 6.484 4.598 1.00 0.00 C ATOM 546 O HIS A 38 -2.439 6.307 4.645 1.00 0.00 O ATOM 547 CB HIS A 38 -0.760 8.125 6.430 1.00 0.00 C ATOM 548 CG HIS A 38 -0.342 6.998 7.323 1.00 0.00 C ATOM 549 ND1 HIS A 38 -1.247 6.206 8.000 1.00 0.00 N ATOM 550 CD2 HIS A 38 0.884 6.544 7.667 1.00 0.00 C ATOM 551 CE1 HIS A 38 -0.594 5.315 8.719 1.00 0.00 C ATOM 552 NE2 HIS A 38 0.699 5.500 8.534 1.00 0.00 N ATOM 0 H HIS A 38 -2.195 9.159 4.564 1.00 0.00 H new ATOM 0 HA HIS A 38 0.434 7.823 4.671 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -0.162 9.004 6.672 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.798 8.376 6.646 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -2.262 6.296 7.952 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.831 6.932 7.323 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -1.041 4.562 9.351 1.00 0.00 H new ATOM 561 N LEU A 39 -0.377 5.545 4.264 1.00 0.00 N ATOM 562 CA LEU A 39 -0.830 4.220 3.891 1.00 0.00 C ATOM 563 C LEU A 39 -0.400 3.188 4.919 1.00 0.00 C ATOM 564 O LEU A 39 0.785 3.079 5.242 1.00 0.00 O ATOM 565 CB LEU A 39 -0.282 3.837 2.513 1.00 0.00 C ATOM 566 CG LEU A 39 -0.476 2.368 2.107 1.00 0.00 C ATOM 567 CD1 LEU A 39 -1.955 2.017 2.014 1.00 0.00 C ATOM 568 CD2 LEU A 39 0.222 2.085 0.787 1.00 0.00 C ATOM 0 H LEU A 39 0.635 5.670 4.241 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.919 4.237 3.852 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.759 4.469 1.764 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.784 4.064 2.490 1.00 0.00 H new ATOM 0 HG LEU A 39 -0.029 1.742 2.879 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.063 0.972 1.725 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.428 2.177 2.983 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.433 2.651 1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.075 1.040 0.514 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.196 2.725 0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.288 2.286 0.889 1.00 0.00 H new ATOM 580 N ARG A 40 -1.370 2.467 5.451 1.00 0.00 N ATOM 581 CA ARG A 40 -1.107 1.296 6.260 1.00 0.00 C ATOM 582 C ARG A 40 -1.901 0.113 5.720 1.00 0.00 C ATOM 583 O ARG A 40 -3.129 0.161 5.644 1.00 0.00 O ATOM 584 CB ARG A 40 -1.480 1.526 7.728 1.00 0.00 C ATOM 585 CG ARG A 40 -1.447 0.241 8.543 1.00 0.00 C ATOM 586 CD ARG A 40 -1.957 0.425 9.958 1.00 0.00 C ATOM 587 NE ARG A 40 -2.014 -0.858 10.658 1.00 0.00 N ATOM 588 CZ ARG A 40 -1.919 -1.014 11.976 1.00 0.00 C ATOM 589 NH1 ARG A 40 -1.826 0.043 12.780 1.00 0.00 N ATOM 590 NH2 ARG A 40 -1.927 -2.238 12.489 1.00 0.00 N ATOM 0 H ARG A 40 -2.361 2.678 5.333 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.038 1.090 6.209 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.792 2.249 8.166 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.477 1.962 7.783 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.049 -0.517 8.041 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.425 -0.135 8.577 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.305 1.111 10.499 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.948 0.878 9.937 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.136 -1.698 10.092 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.827 0.984 12.387 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.754 -0.088 13.789 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.005 -3.048 11.874 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.855 -2.369 13.498 1.00 0.00 H new ATOM 604 N PHE A 41 -1.203 -0.935 5.330 1.00 0.00 N ATOM 605 CA PHE A 41 -1.859 -2.151 4.886 1.00 0.00 C ATOM 606 C PHE A 41 -1.282 -3.347 5.623 1.00 0.00 C ATOM 607 O PHE A 41 -0.147 -3.759 5.370 1.00 0.00 O ATOM 608 CB PHE A 41 -1.719 -2.327 3.371 1.00 0.00 C ATOM 609 CG PHE A 41 -2.470 -3.510 2.832 1.00 0.00 C ATOM 610 CD1 PHE A 41 -3.840 -3.442 2.632 1.00 0.00 C ATOM 611 CD2 PHE A 41 -1.807 -4.688 2.527 1.00 0.00 C ATOM 612 CE1 PHE A 41 -4.534 -4.530 2.137 1.00 0.00 C ATOM 613 CE2 PHE A 41 -2.496 -5.777 2.031 1.00 0.00 C ATOM 614 CZ PHE A 41 -3.860 -5.698 1.835 1.00 0.00 C ATOM 0 H PHE A 41 -0.184 -0.970 5.311 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.922 -2.077 5.114 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.075 -1.424 2.874 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.663 -2.433 3.122 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -4.370 -2.530 2.865 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.740 -4.755 2.679 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.602 -4.467 1.986 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.968 -6.690 1.797 1.00 0.00 H new ATOM 0 HZ PHE A 41 -4.400 -6.548 1.446 1.00 0.00 H new ATOM 624 N ASP A 42 -2.053 -3.873 6.559 1.00 0.00 N ATOM 625 CA ASP A 42 -1.632 -5.033 7.332 1.00 0.00 C ATOM 626 C ASP A 42 -1.675 -6.286 6.474 1.00 0.00 C ATOM 627 O ASP A 42 -2.740 -6.868 6.269 1.00 0.00 O ATOM 628 CB ASP A 42 -2.529 -5.227 8.559 1.00 0.00 C ATOM 629 CG ASP A 42 -2.409 -4.106 9.569 1.00 0.00 C ATOM 630 OD1 ASP A 42 -2.911 -2.997 9.297 1.00 0.00 O ATOM 631 OD2 ASP A 42 -1.843 -4.338 10.658 1.00 0.00 O ATOM 0 H ASP A 42 -2.976 -3.516 6.804 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.609 -4.858 7.666 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.566 -5.305 8.234 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -2.275 -6.171 9.041 1.00 0.00 H new ATOM 636 N ILE A 43 -0.522 -6.693 5.964 1.00 0.00 N ATOM 637 CA ILE A 43 -0.433 -7.901 5.157 1.00 0.00 C ATOM 638 C ILE A 43 -0.831 -9.110 5.995 1.00 0.00 C ATOM 639 O ILE A 43 -1.486 -10.029 5.515 1.00 0.00 O ATOM 640 CB ILE A 43 0.992 -8.111 4.600 1.00 0.00 C ATOM 641 CG1 ILE A 43 1.415 -6.907 3.756 1.00 0.00 C ATOM 642 CG2 ILE A 43 1.065 -9.391 3.779 1.00 0.00 C ATOM 643 CD1 ILE A 43 2.843 -6.988 3.256 1.00 0.00 C ATOM 0 H ILE A 43 0.364 -6.205 6.094 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.114 -7.788 4.313 1.00 0.00 H new ATOM 0 HB ILE A 43 1.680 -8.205 5.440 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.744 -6.819 2.901 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.297 -5.999 4.348 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.077 -9.520 3.396 1.00 0.00 H new ATOM 0 HG22 ILE A 43 0.804 -10.242 4.408 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.366 -9.328 2.945 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.073 -6.101 2.666 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.523 -7.044 4.106 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.962 -7.877 2.637 1.00 0.00 H new ATOM 655 N ASN A 44 -0.456 -9.070 7.263 1.00 0.00 N ATOM 656 CA ASN A 44 -0.739 -10.149 8.191 1.00 0.00 C ATOM 657 C ASN A 44 -2.242 -10.343 8.379 1.00 0.00 C ATOM 658 O ASN A 44 -2.753 -11.461 8.313 1.00 0.00 O ATOM 659 CB ASN A 44 -0.104 -9.811 9.537 1.00 0.00 C ATOM 660 CG ASN A 44 0.104 -11.020 10.423 1.00 0.00 C ATOM 661 OD1 ASN A 44 -0.625 -12.010 10.344 1.00 0.00 O ATOM 662 ND2 ASN A 44 1.102 -10.940 11.283 1.00 0.00 N ATOM 0 H ASN A 44 0.053 -8.289 7.676 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.327 -11.074 7.788 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.857 -9.326 9.366 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.736 -9.092 10.058 1.00 0.00 H new ATOM 0 HD21 ASN A 44 1.294 -11.717 11.915 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.681 -10.101 11.315 1.00 0.00 H new ATOM 669 N ALA A 45 -2.948 -9.242 8.577 1.00 0.00 N ATOM 670 CA ALA A 45 -4.344 -9.290 8.999 1.00 0.00 C ATOM 671 C ALA A 45 -5.335 -9.257 7.834 1.00 0.00 C ATOM 672 O ALA A 45 -6.530 -9.491 8.035 1.00 0.00 O ATOM 673 CB ALA A 45 -4.627 -8.137 9.951 1.00 0.00 C ATOM 0 H ALA A 45 -2.578 -8.299 8.453 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.489 -10.247 9.500 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.670 -8.173 10.266 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.981 -8.220 10.825 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.433 -7.191 9.445 1.00 0.00 H new ATOM 679 N SER A 46 -4.860 -8.977 6.629 1.00 0.00 N ATOM 680 CA SER A 46 -5.753 -8.807 5.484 1.00 0.00 C ATOM 681 C SER A 46 -6.238 -10.145 4.923 1.00 0.00 C ATOM 682 O SER A 46 -5.760 -11.216 5.316 1.00 0.00 O ATOM 683 CB SER A 46 -5.059 -7.988 4.396 1.00 0.00 C ATOM 684 OG SER A 46 -3.734 -8.440 4.187 1.00 0.00 O ATOM 0 H SER A 46 -3.869 -8.863 6.416 1.00 0.00 H new ATOM 0 HA SER A 46 -6.635 -8.270 5.832 1.00 0.00 H new ATOM 0 HB2 SER A 46 -5.623 -8.061 3.466 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.047 -6.936 4.680 1.00 0.00 H new ATOM 0 HG SER A 46 -3.131 -7.986 4.812 1.00 0.00 H new ATOM 690 N SER A 47 -7.185 -10.063 3.991 1.00 0.00 N ATOM 691 CA SER A 47 -7.831 -11.236 3.404 1.00 0.00 C ATOM 692 C SER A 47 -6.927 -11.973 2.406 1.00 0.00 C ATOM 693 O SER A 47 -7.373 -12.897 1.721 1.00 0.00 O ATOM 694 CB SER A 47 -9.114 -10.802 2.698 1.00 0.00 C ATOM 695 OG SER A 47 -9.953 -10.067 3.577 1.00 0.00 O ATOM 0 H SER A 47 -7.528 -9.177 3.620 1.00 0.00 H new ATOM 0 HA SER A 47 -8.049 -11.929 4.217 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.867 -10.192 1.829 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.646 -11.679 2.330 1.00 0.00 H new ATOM 0 HG SER A 47 -9.716 -9.117 3.537 1.00 0.00 H new ATOM 701 N LEU A 48 -5.670 -11.571 2.322 1.00 0.00 N ATOM 702 CA LEU A 48 -4.732 -12.197 1.405 1.00 0.00 C ATOM 703 C LEU A 48 -4.480 -13.652 1.790 1.00 0.00 C ATOM 704 O LEU A 48 -4.296 -13.968 2.963 1.00 0.00 O ATOM 705 CB LEU A 48 -3.411 -11.424 1.393 1.00 0.00 C ATOM 706 CG LEU A 48 -3.484 -10.010 0.822 1.00 0.00 C ATOM 707 CD1 LEU A 48 -2.140 -9.315 0.956 1.00 0.00 C ATOM 708 CD2 LEU A 48 -3.924 -10.044 -0.633 1.00 0.00 C ATOM 0 H LEU A 48 -5.275 -10.813 2.878 1.00 0.00 H new ATOM 0 HA LEU A 48 -5.169 -12.177 0.407 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.034 -11.366 2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.682 -11.993 0.816 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.223 -9.446 1.391 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.208 -8.308 0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.863 -9.259 2.009 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.383 -9.879 0.411 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.970 -9.027 -1.023 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.209 -10.624 -1.216 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.909 -10.505 -0.705 1.00 0.00 H new ATOM 720 N PRO A 49 -4.503 -14.562 0.809 1.00 0.00 N ATOM 721 CA PRO A 49 -4.124 -15.962 1.023 1.00 0.00 C ATOM 722 C PRO A 49 -2.660 -16.089 1.447 1.00 0.00 C ATOM 723 O PRO A 49 -1.826 -15.257 1.074 1.00 0.00 O ATOM 724 CB PRO A 49 -4.338 -16.613 -0.350 1.00 0.00 C ATOM 725 CG PRO A 49 -5.250 -15.690 -1.079 1.00 0.00 C ATOM 726 CD PRO A 49 -4.929 -14.314 -0.574 1.00 0.00 C ATOM 0 HA PRO A 49 -4.706 -16.428 1.818 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.393 -16.734 -0.880 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.778 -17.605 -0.251 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.095 -15.757 -2.156 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -6.294 -15.942 -0.891 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.141 -13.842 -1.161 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.796 -13.655 -0.617 1.00 0.00 H new ATOM 734 N PRO A 50 -2.333 -17.130 2.237 1.00 0.00 N ATOM 735 CA PRO A 50 -0.963 -17.384 2.706 1.00 0.00 C ATOM 736 C PRO A 50 0.058 -17.392 1.569 1.00 0.00 C ATOM 737 O PRO A 50 1.211 -17.014 1.761 1.00 0.00 O ATOM 738 CB PRO A 50 -1.059 -18.770 3.346 1.00 0.00 C ATOM 739 CG PRO A 50 -2.479 -18.890 3.772 1.00 0.00 C ATOM 740 CD PRO A 50 -3.284 -18.135 2.750 1.00 0.00 C ATOM 0 HA PRO A 50 -0.619 -16.605 3.386 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.790 -19.553 2.637 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.381 -18.862 4.195 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.786 -19.935 3.816 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -2.624 -18.473 4.769 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.642 -18.791 1.956 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -4.161 -17.667 3.196 1.00 0.00 H new ATOM 748 N PHE A 51 -0.378 -17.830 0.390 1.00 0.00 N ATOM 749 CA PHE A 51 0.453 -17.813 -0.813 1.00 0.00 C ATOM 750 C PHE A 51 1.107 -16.447 -1.018 1.00 0.00 C ATOM 751 O PHE A 51 2.321 -16.342 -1.204 1.00 0.00 O ATOM 752 CB PHE A 51 -0.409 -18.163 -2.028 1.00 0.00 C ATOM 753 CG PHE A 51 0.328 -18.123 -3.337 1.00 0.00 C ATOM 754 CD1 PHE A 51 1.263 -19.094 -3.654 1.00 0.00 C ATOM 755 CD2 PHE A 51 0.073 -17.115 -4.255 1.00 0.00 C ATOM 756 CE1 PHE A 51 1.934 -19.060 -4.861 1.00 0.00 C ATOM 757 CE2 PHE A 51 0.740 -17.076 -5.462 1.00 0.00 C ATOM 758 CZ PHE A 51 1.671 -18.050 -5.767 1.00 0.00 C ATOM 0 H PHE A 51 -1.314 -18.206 0.241 1.00 0.00 H new ATOM 0 HA PHE A 51 1.247 -18.550 -0.694 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.826 -19.160 -1.889 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.249 -17.470 -2.075 1.00 0.00 H new ATOM 0 HD1 PHE A 51 1.470 -19.886 -2.950 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.656 -16.352 -4.022 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.663 -19.821 -5.096 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.535 -16.285 -6.168 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.193 -18.022 -6.712 1.00 0.00 H new ATOM 768 N TYR A 52 0.294 -15.402 -0.971 1.00 0.00 N ATOM 769 CA TYR A 52 0.774 -14.050 -1.160 1.00 0.00 C ATOM 770 C TYR A 52 1.540 -13.570 0.067 1.00 0.00 C ATOM 771 O TYR A 52 2.584 -12.931 -0.058 1.00 0.00 O ATOM 772 CB TYR A 52 -0.403 -13.115 -1.436 1.00 0.00 C ATOM 773 CG TYR A 52 -1.113 -13.382 -2.744 1.00 0.00 C ATOM 774 CD1 TYR A 52 -0.638 -12.849 -3.935 1.00 0.00 C ATOM 775 CD2 TYR A 52 -2.264 -14.157 -2.789 1.00 0.00 C ATOM 776 CE1 TYR A 52 -1.289 -13.079 -5.132 1.00 0.00 C ATOM 777 CE2 TYR A 52 -2.923 -14.391 -3.981 1.00 0.00 C ATOM 778 CZ TYR A 52 -2.431 -13.851 -5.150 1.00 0.00 C ATOM 779 OH TYR A 52 -3.090 -14.076 -6.339 1.00 0.00 O ATOM 0 H TYR A 52 -0.709 -15.471 -0.802 1.00 0.00 H new ATOM 0 HA TYR A 52 1.452 -14.041 -2.014 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.121 -13.203 -0.621 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.043 -12.086 -1.434 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.256 -12.244 -3.926 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.651 -14.585 -1.876 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.905 -12.656 -6.049 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.819 -14.994 -3.997 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.875 -14.640 -6.176 1.00 0.00 H new ATOM 789 N LYS A 53 1.024 -13.896 1.249 1.00 0.00 N ATOM 790 CA LYS A 53 1.618 -13.435 2.500 1.00 0.00 C ATOM 791 C LYS A 53 3.042 -13.962 2.677 1.00 0.00 C ATOM 792 O LYS A 53 3.921 -13.227 3.118 1.00 0.00 O ATOM 793 CB LYS A 53 0.746 -13.833 3.696 1.00 0.00 C ATOM 794 CG LYS A 53 -0.607 -13.136 3.709 1.00 0.00 C ATOM 795 CD LYS A 53 -1.402 -13.449 4.969 1.00 0.00 C ATOM 796 CE LYS A 53 -2.708 -12.672 4.989 1.00 0.00 C ATOM 797 NZ LYS A 53 -3.531 -12.952 6.193 1.00 0.00 N ATOM 0 H LYS A 53 0.195 -14.478 1.367 1.00 0.00 H new ATOM 0 HA LYS A 53 1.670 -12.347 2.454 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.592 -14.912 3.682 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.277 -13.599 4.619 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.460 -12.059 3.632 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.180 -13.442 2.834 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.609 -14.518 5.018 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.811 -13.198 5.850 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.490 -11.605 4.945 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.284 -12.917 4.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.469 -12.517 6.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -3.637 -13.980 6.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.064 -12.555 7.033 1.00 0.00 H new ATOM 811 N GLU A 54 3.268 -15.224 2.321 1.00 0.00 N ATOM 812 CA GLU A 54 4.601 -15.817 2.413 1.00 0.00 C ATOM 813 C GLU A 54 5.610 -15.045 1.573 1.00 0.00 C ATOM 814 O GLU A 54 6.711 -14.735 2.033 1.00 0.00 O ATOM 815 CB GLU A 54 4.579 -17.278 1.957 1.00 0.00 C ATOM 816 CG GLU A 54 4.009 -18.243 2.983 1.00 0.00 C ATOM 817 CD GLU A 54 4.885 -18.371 4.214 1.00 0.00 C ATOM 818 OE1 GLU A 54 5.955 -19.014 4.126 1.00 0.00 O ATOM 819 OE2 GLU A 54 4.502 -17.843 5.278 1.00 0.00 O ATOM 0 H GLU A 54 2.549 -15.855 1.967 1.00 0.00 H new ATOM 0 HA GLU A 54 4.903 -15.769 3.459 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.993 -17.352 1.041 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.595 -17.585 1.711 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.017 -17.905 3.282 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.887 -19.224 2.525 1.00 0.00 H new ATOM 826 N ARG A 55 5.233 -14.740 0.341 1.00 0.00 N ATOM 827 CA ARG A 55 6.107 -14.004 -0.558 1.00 0.00 C ATOM 828 C ARG A 55 6.332 -12.588 -0.045 1.00 0.00 C ATOM 829 O ARG A 55 7.464 -12.118 0.013 1.00 0.00 O ATOM 830 CB ARG A 55 5.525 -13.967 -1.970 1.00 0.00 C ATOM 831 CG ARG A 55 5.653 -15.280 -2.720 1.00 0.00 C ATOM 832 CD ARG A 55 7.112 -15.675 -2.884 1.00 0.00 C ATOM 833 NE ARG A 55 7.274 -16.865 -3.722 1.00 0.00 N ATOM 834 CZ ARG A 55 8.411 -17.553 -3.824 1.00 0.00 C ATOM 835 NH1 ARG A 55 9.466 -17.217 -3.095 1.00 0.00 N ATOM 836 NH2 ARG A 55 8.488 -18.589 -4.648 1.00 0.00 N ATOM 0 H ARG A 55 4.329 -14.991 -0.059 1.00 0.00 H new ATOM 0 HA ARG A 55 7.067 -14.519 -0.594 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.471 -13.694 -1.912 1.00 0.00 H new ATOM 0 HB3 ARG A 55 6.026 -13.184 -2.539 1.00 0.00 H new ATOM 0 HG2 ARG A 55 5.119 -16.063 -2.182 1.00 0.00 H new ATOM 0 HG3 ARG A 55 5.185 -15.190 -3.700 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.664 -14.845 -3.325 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.548 -15.862 -1.903 1.00 0.00 H new ATOM 0 HE ARG A 55 6.469 -17.186 -4.260 1.00 0.00 H new ATOM 0 HH11 ARG A 55 9.411 -16.428 -2.451 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.333 -17.748 -3.178 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.677 -18.860 -5.204 1.00 0.00 H new ATOM 0 HH22 ARG A 55 9.358 -19.115 -4.726 1.00 0.00 H new ATOM 850 N LEU A 56 5.251 -11.927 0.346 1.00 0.00 N ATOM 851 CA LEU A 56 5.318 -10.551 0.824 1.00 0.00 C ATOM 852 C LEU A 56 6.147 -10.434 2.101 1.00 0.00 C ATOM 853 O LEU A 56 6.976 -9.532 2.233 1.00 0.00 O ATOM 854 CB LEU A 56 3.907 -10.017 1.071 1.00 0.00 C ATOM 855 CG LEU A 56 3.058 -9.810 -0.191 1.00 0.00 C ATOM 856 CD1 LEU A 56 1.664 -9.332 0.177 1.00 0.00 C ATOM 857 CD2 LEU A 56 3.728 -8.817 -1.132 1.00 0.00 C ATOM 0 H LEU A 56 4.311 -12.324 0.342 1.00 0.00 H new ATOM 0 HA LEU A 56 5.808 -9.956 0.053 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.384 -10.708 1.732 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.982 -9.066 1.599 1.00 0.00 H new ATOM 0 HG LEU A 56 2.971 -10.767 -0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.077 -9.191 -0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.180 -10.075 0.811 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.734 -8.387 0.715 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.111 -8.684 -2.020 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.846 -7.859 -0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.707 -9.196 -1.424 1.00 0.00 H new ATOM 869 N LEU A 57 5.922 -11.352 3.035 1.00 0.00 N ATOM 870 CA LEU A 57 6.618 -11.347 4.315 1.00 0.00 C ATOM 871 C LEU A 57 8.125 -11.486 4.108 1.00 0.00 C ATOM 872 O LEU A 57 8.919 -10.824 4.774 1.00 0.00 O ATOM 873 CB LEU A 57 6.098 -12.497 5.186 1.00 0.00 C ATOM 874 CG LEU A 57 6.008 -12.205 6.682 1.00 0.00 C ATOM 875 CD1 LEU A 57 5.253 -13.317 7.393 1.00 0.00 C ATOM 876 CD2 LEU A 57 7.390 -12.037 7.300 1.00 0.00 C ATOM 0 H LEU A 57 5.255 -12.116 2.926 1.00 0.00 H new ATOM 0 HA LEU A 57 6.427 -10.398 4.816 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.108 -12.780 4.829 1.00 0.00 H new ATOM 0 HB3 LEU A 57 6.747 -13.360 5.041 1.00 0.00 H new ATOM 0 HG LEU A 57 5.466 -11.267 6.805 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.197 -13.095 8.459 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.245 -13.392 6.984 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.775 -14.263 7.246 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.289 -11.830 8.365 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.965 -12.953 7.161 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.906 -11.208 6.817 1.00 0.00 H new ATOM 888 N ALA A 58 8.505 -12.335 3.166 1.00 0.00 N ATOM 889 CA ALA A 58 9.908 -12.631 2.925 1.00 0.00 C ATOM 890 C ALA A 58 10.450 -11.871 1.716 1.00 0.00 C ATOM 891 O ALA A 58 11.409 -12.310 1.075 1.00 0.00 O ATOM 892 CB ALA A 58 10.092 -14.126 2.741 1.00 0.00 C ATOM 0 H ALA A 58 7.858 -12.833 2.554 1.00 0.00 H new ATOM 0 HA ALA A 58 10.477 -12.301 3.794 1.00 0.00 H new ATOM 0 HB1 ALA A 58 11.145 -14.344 2.561 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.763 -14.647 3.640 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.501 -14.463 1.890 1.00 0.00 H new ATOM 898 N LEU A 59 9.856 -10.729 1.408 1.00 0.00 N ATOM 899 CA LEU A 59 10.330 -9.907 0.316 1.00 0.00 C ATOM 900 C LEU A 59 11.372 -8.935 0.845 1.00 0.00 C ATOM 901 O LEU A 59 11.413 -8.642 2.039 1.00 0.00 O ATOM 902 CB LEU A 59 9.166 -9.144 -0.323 1.00 0.00 C ATOM 903 CG LEU A 59 9.040 -9.236 -1.854 1.00 0.00 C ATOM 904 CD1 LEU A 59 10.164 -8.485 -2.553 1.00 0.00 C ATOM 905 CD2 LEU A 59 9.022 -10.689 -2.305 1.00 0.00 C ATOM 0 H LEU A 59 9.046 -10.354 1.901 1.00 0.00 H new ATOM 0 HA LEU A 59 10.778 -10.542 -0.448 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.238 -9.507 0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 59 9.258 -8.092 -0.051 1.00 0.00 H new ATOM 0 HG LEU A 59 8.096 -8.767 -2.133 1.00 0.00 H new ATOM 0 HD11 LEU A 59 10.043 -8.572 -3.633 1.00 0.00 H new ATOM 0 HD12 LEU A 59 10.132 -7.434 -2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 59 11.124 -8.911 -2.260 1.00 0.00 H new ATOM 0 HD21 LEU A 59 8.932 -10.732 -3.390 1.00 0.00 H new ATOM 0 HD22 LEU A 59 9.947 -11.177 -1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.174 -11.201 -1.850 1.00 0.00 H new ATOM 917 N ASN A 60 12.211 -8.447 -0.038 1.00 0.00 N ATOM 918 CA ASN A 60 13.256 -7.507 0.337 1.00 0.00 C ATOM 919 C ASN A 60 12.804 -6.094 0.003 1.00 0.00 C ATOM 920 O ASN A 60 13.600 -5.156 -0.028 1.00 0.00 O ATOM 921 CB ASN A 60 14.553 -7.849 -0.398 1.00 0.00 C ATOM 922 CG ASN A 60 15.809 -7.427 0.354 1.00 0.00 C ATOM 923 OD1 ASN A 60 16.839 -8.091 0.265 1.00 0.00 O ATOM 924 ND2 ASN A 60 15.744 -6.325 1.086 1.00 0.00 N ATOM 0 H ASN A 60 12.194 -8.684 -1.030 1.00 0.00 H new ATOM 0 HA ASN A 60 13.443 -7.573 1.409 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.589 -8.924 -0.574 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.545 -7.366 -1.375 1.00 0.00 H new ATOM 0 HD21 ASN A 60 16.566 -6.004 1.598 1.00 0.00 H new ATOM 0 HD22 ASN A 60 14.872 -5.798 1.138 1.00 0.00 H new ATOM 931 N ASP A 61 11.512 -5.950 -0.233 1.00 0.00 N ATOM 932 CA ASP A 61 10.951 -4.670 -0.614 1.00 0.00 C ATOM 933 C ASP A 61 11.014 -3.707 0.556 1.00 0.00 C ATOM 934 O ASP A 61 10.699 -4.060 1.691 1.00 0.00 O ATOM 935 CB ASP A 61 9.516 -4.814 -1.104 1.00 0.00 C ATOM 936 CG ASP A 61 8.969 -3.499 -1.617 1.00 0.00 C ATOM 937 OD1 ASP A 61 9.180 -3.186 -2.806 1.00 0.00 O ATOM 938 OD2 ASP A 61 8.342 -2.768 -0.829 1.00 0.00 O ATOM 0 H ASP A 61 10.832 -6.707 -0.167 1.00 0.00 H new ATOM 0 HA ASP A 61 11.544 -4.273 -1.438 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.475 -5.560 -1.897 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.888 -5.178 -0.291 1.00 0.00 H new ATOM 943 N SER A 62 11.431 -2.496 0.268 1.00 0.00 N ATOM 944 CA SER A 62 11.700 -1.504 1.300 1.00 0.00 C ATOM 945 C SER A 62 10.434 -0.762 1.740 1.00 0.00 C ATOM 946 O SER A 62 10.507 0.186 2.522 1.00 0.00 O ATOM 947 CB SER A 62 12.737 -0.513 0.779 1.00 0.00 C ATOM 948 OG SER A 62 13.795 -1.199 0.129 1.00 0.00 O ATOM 0 H SER A 62 11.595 -2.165 -0.683 1.00 0.00 H new ATOM 0 HA SER A 62 12.082 -2.025 2.178 1.00 0.00 H new ATOM 0 HB2 SER A 62 12.267 0.184 0.085 1.00 0.00 H new ATOM 0 HB3 SER A 62 13.132 0.078 1.605 1.00 0.00 H new ATOM 0 HG SER A 62 14.451 -0.550 -0.201 1.00 0.00 H new ATOM 954 N ARG A 63 9.280 -1.167 1.226 1.00 0.00 N ATOM 955 CA ARG A 63 8.015 -0.579 1.655 1.00 0.00 C ATOM 956 C ARG A 63 7.287 -1.538 2.589 1.00 0.00 C ATOM 957 O ARG A 63 6.307 -1.175 3.243 1.00 0.00 O ATOM 958 CB ARG A 63 7.131 -0.247 0.450 1.00 0.00 C ATOM 959 CG ARG A 63 7.791 0.650 -0.596 1.00 0.00 C ATOM 960 CD ARG A 63 8.087 2.052 -0.070 1.00 0.00 C ATOM 961 NE ARG A 63 9.271 2.096 0.789 1.00 0.00 N ATOM 962 CZ ARG A 63 10.180 3.070 0.765 1.00 0.00 C ATOM 963 NH1 ARG A 63 10.059 4.086 -0.084 1.00 0.00 N ATOM 964 NH2 ARG A 63 11.214 3.023 1.597 1.00 0.00 N ATOM 0 H ARG A 63 9.192 -1.895 0.517 1.00 0.00 H new ATOM 0 HA ARG A 63 8.229 0.348 2.187 1.00 0.00 H new ATOM 0 HB2 ARG A 63 6.827 -1.178 -0.029 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.223 0.240 0.806 1.00 0.00 H new ATOM 0 HG2 ARG A 63 8.720 0.188 -0.930 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.141 0.724 -1.468 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.229 2.729 -0.912 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.224 2.415 0.489 1.00 0.00 H new ATOM 0 HE ARG A 63 9.409 1.331 1.449 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.266 4.124 -0.724 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.760 4.827 -0.095 1.00 0.00 H new ATOM 0 HH21 ARG A 63 11.309 2.245 2.249 1.00 0.00 H new ATOM 0 HH22 ARG A 63 11.913 3.765 1.584 1.00 0.00 H new ATOM 978 N ILE A 64 7.780 -2.768 2.638 1.00 0.00 N ATOM 979 CA ILE A 64 7.250 -3.776 3.539 1.00 0.00 C ATOM 980 C ILE A 64 8.129 -3.862 4.780 1.00 0.00 C ATOM 981 O ILE A 64 9.291 -4.264 4.696 1.00 0.00 O ATOM 982 CB ILE A 64 7.196 -5.164 2.863 1.00 0.00 C ATOM 983 CG1 ILE A 64 6.454 -5.075 1.524 1.00 0.00 C ATOM 984 CG2 ILE A 64 6.526 -6.175 3.785 1.00 0.00 C ATOM 985 CD1 ILE A 64 6.444 -6.373 0.747 1.00 0.00 C ATOM 0 H ILE A 64 8.554 -3.091 2.057 1.00 0.00 H new ATOM 0 HA ILE A 64 6.236 -3.484 3.811 1.00 0.00 H new ATOM 0 HB ILE A 64 8.215 -5.500 2.669 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.426 -4.764 1.709 1.00 0.00 H new ATOM 0 HG13 ILE A 64 6.917 -4.300 0.913 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.495 -7.149 3.296 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.093 -6.253 4.713 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.510 -5.848 4.007 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.902 -6.233 -0.188 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.469 -6.675 0.530 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.955 -7.147 1.338 1.00 0.00 H new ATOM 997 N THR A 65 7.593 -3.461 5.922 1.00 0.00 N ATOM 998 CA THR A 65 8.362 -3.491 7.153 1.00 0.00 C ATOM 999 C THR A 65 8.330 -4.886 7.759 1.00 0.00 C ATOM 1000 O THR A 65 7.490 -5.713 7.394 1.00 0.00 O ATOM 1001 CB THR A 65 7.839 -2.469 8.183 1.00 0.00 C ATOM 1002 OG1 THR A 65 6.517 -2.815 8.605 1.00 0.00 O ATOM 1003 CG2 THR A 65 7.834 -1.065 7.599 1.00 0.00 C ATOM 0 H THR A 65 6.639 -3.115 6.021 1.00 0.00 H new ATOM 0 HA THR A 65 9.388 -3.222 6.901 1.00 0.00 H new ATOM 0 HB THR A 65 8.508 -2.490 9.043 1.00 0.00 H new ATOM 0 HG1 THR A 65 6.455 -2.742 9.580 1.00 0.00 H new ATOM 0 HG21 THR A 65 7.461 -0.362 8.344 1.00 0.00 H new ATOM 0 HG22 THR A 65 8.848 -0.786 7.313 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.189 -1.039 6.721 1.00 0.00 H new ATOM 1011 N SER A 66 9.225 -5.142 8.705 1.00 0.00 N ATOM 1012 CA SER A 66 9.300 -6.444 9.356 1.00 0.00 C ATOM 1013 C SER A 66 8.130 -6.643 10.316 1.00 0.00 C ATOM 1014 O SER A 66 8.060 -7.644 11.025 1.00 0.00 O ATOM 1015 CB SER A 66 10.635 -6.578 10.090 1.00 0.00 C ATOM 1016 OG SER A 66 11.717 -6.417 9.186 1.00 0.00 O ATOM 0 H SER A 66 9.910 -4.464 9.039 1.00 0.00 H new ATOM 0 HA SER A 66 9.237 -7.221 8.594 1.00 0.00 H new ATOM 0 HB2 SER A 66 10.699 -5.830 10.880 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.697 -7.555 10.570 1.00 0.00 H new ATOM 0 HG SER A 66 12.564 -6.504 9.671 1.00 0.00 H new ATOM 1022 N ASP A 67 7.210 -5.684 10.327 1.00 0.00 N ATOM 1023 CA ASP A 67 5.986 -5.801 11.106 1.00 0.00 C ATOM 1024 C ASP A 67 4.961 -6.610 10.327 1.00 0.00 C ATOM 1025 O ASP A 67 4.003 -7.141 10.890 1.00 0.00 O ATOM 1026 CB ASP A 67 5.405 -4.416 11.412 1.00 0.00 C ATOM 1027 CG ASP A 67 6.418 -3.477 12.024 1.00 0.00 C ATOM 1028 OD1 ASP A 67 6.556 -3.462 13.264 1.00 0.00 O ATOM 1029 OD2 ASP A 67 7.086 -2.741 11.262 1.00 0.00 O ATOM 0 H ASP A 67 7.291 -4.813 9.802 1.00 0.00 H new ATOM 0 HA ASP A 67 6.221 -6.302 12.045 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.020 -3.977 10.491 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.560 -4.524 12.092 1.00 0.00 H new ATOM 1034 N GLY A 68 5.182 -6.702 9.020 1.00 0.00 N ATOM 1035 CA GLY A 68 4.220 -7.333 8.143 1.00 0.00 C ATOM 1036 C GLY A 68 3.174 -6.340 7.676 1.00 0.00 C ATOM 1037 O GLY A 68 2.071 -6.721 7.282 1.00 0.00 O ATOM 0 H GLY A 68 6.016 -6.348 8.553 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.733 -7.758 7.280 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.735 -8.159 8.664 1.00 0.00 H new ATOM 1041 N VAL A 69 3.527 -5.063 7.729 1.00 0.00 N ATOM 1042 CA VAL A 69 2.605 -3.990 7.388 1.00 0.00 C ATOM 1043 C VAL A 69 3.206 -3.083 6.319 1.00 0.00 C ATOM 1044 O VAL A 69 4.399 -2.783 6.344 1.00 0.00 O ATOM 1045 CB VAL A 69 2.247 -3.145 8.634 1.00 0.00 C ATOM 1046 CG1 VAL A 69 1.246 -2.057 8.283 1.00 0.00 C ATOM 1047 CG2 VAL A 69 1.704 -4.026 9.752 1.00 0.00 C ATOM 0 H VAL A 69 4.455 -4.744 8.008 1.00 0.00 H new ATOM 0 HA VAL A 69 1.696 -4.451 7.001 1.00 0.00 H new ATOM 0 HB VAL A 69 3.162 -2.669 8.987 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.011 -1.477 9.176 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.673 -1.400 7.526 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.335 -2.512 7.896 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.460 -3.408 10.616 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.806 -4.539 9.407 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.457 -4.762 10.033 1.00 0.00 H new ATOM 1057 N ILE A 70 2.377 -2.680 5.370 1.00 0.00 N ATOM 1058 CA ILE A 70 2.780 -1.725 4.348 1.00 0.00 C ATOM 1059 C ILE A 70 2.700 -0.305 4.906 1.00 0.00 C ATOM 1060 O ILE A 70 1.648 0.116 5.393 1.00 0.00 O ATOM 1061 CB ILE A 70 1.877 -1.848 3.101 1.00 0.00 C ATOM 1062 CG1 ILE A 70 1.964 -3.255 2.507 1.00 0.00 C ATOM 1063 CG2 ILE A 70 2.246 -0.811 2.056 1.00 0.00 C ATOM 1064 CD1 ILE A 70 3.345 -3.619 2.002 1.00 0.00 C ATOM 0 H ILE A 70 1.413 -3.002 5.285 1.00 0.00 H new ATOM 0 HA ILE A 70 3.807 -1.943 4.056 1.00 0.00 H new ATOM 0 HB ILE A 70 0.849 -1.666 3.414 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.661 -3.979 3.264 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.253 -3.337 1.685 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.595 -0.920 1.189 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.126 0.188 2.476 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.283 -0.954 1.751 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.329 -4.630 1.595 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.643 -2.919 1.222 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.058 -3.570 2.825 1.00 0.00 H new ATOM 1076 N VAL A 71 3.811 0.422 4.857 1.00 0.00 N ATOM 1077 CA VAL A 71 3.863 1.782 5.388 1.00 0.00 C ATOM 1078 C VAL A 71 4.409 2.742 4.337 1.00 0.00 C ATOM 1079 O VAL A 71 5.562 2.622 3.923 1.00 0.00 O ATOM 1080 CB VAL A 71 4.762 1.874 6.636 1.00 0.00 C ATOM 1081 CG1 VAL A 71 4.664 3.254 7.271 1.00 0.00 C ATOM 1082 CG2 VAL A 71 4.418 0.786 7.643 1.00 0.00 C ATOM 0 H VAL A 71 4.689 0.093 4.455 1.00 0.00 H new ATOM 0 HA VAL A 71 2.843 2.054 5.661 1.00 0.00 H new ATOM 0 HB VAL A 71 5.793 1.718 6.319 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.307 3.296 8.150 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.982 4.009 6.552 1.00 0.00 H new ATOM 0 HG13 VAL A 71 3.632 3.446 7.566 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.069 0.876 8.513 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.379 0.894 7.954 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.560 -0.192 7.184 1.00 0.00 H new ATOM 1092 N LEU A 72 3.588 3.691 3.908 1.00 0.00 N ATOM 1093 CA LEU A 72 4.018 4.666 2.903 1.00 0.00 C ATOM 1094 C LEU A 72 3.425 6.039 3.161 1.00 0.00 C ATOM 1095 O LEU A 72 2.580 6.223 4.041 1.00 0.00 O ATOM 1096 CB LEU A 72 3.627 4.253 1.474 1.00 0.00 C ATOM 1097 CG LEU A 72 4.511 3.202 0.794 1.00 0.00 C ATOM 1098 CD1 LEU A 72 4.078 1.800 1.170 1.00 0.00 C ATOM 1099 CD2 LEU A 72 4.479 3.387 -0.718 1.00 0.00 C ATOM 0 H LEU A 72 2.629 3.810 4.234 1.00 0.00 H new ATOM 0 HA LEU A 72 5.104 4.700 2.987 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.605 3.874 1.497 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.622 5.147 0.851 1.00 0.00 H new ATOM 0 HG LEU A 72 5.535 3.339 1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.722 1.075 0.673 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.154 1.673 2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.046 1.642 0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.111 2.635 -1.190 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.455 3.278 -1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.848 4.381 -0.971 1.00 0.00 H new ATOM 1111 N LYS A 73 3.887 6.985 2.362 1.00 0.00 N ATOM 1112 CA LYS A 73 3.330 8.320 2.301 1.00 0.00 C ATOM 1113 C LYS A 73 3.135 8.692 0.848 1.00 0.00 C ATOM 1114 O LYS A 73 4.103 8.886 0.111 1.00 0.00 O ATOM 1115 CB LYS A 73 4.242 9.359 2.940 1.00 0.00 C ATOM 1116 CG LYS A 73 4.395 9.246 4.444 1.00 0.00 C ATOM 1117 CD LYS A 73 5.283 10.362 4.965 1.00 0.00 C ATOM 1118 CE LYS A 73 5.330 10.401 6.480 1.00 0.00 C ATOM 1119 NZ LYS A 73 6.238 11.475 6.971 1.00 0.00 N ATOM 0 H LYS A 73 4.673 6.842 1.728 1.00 0.00 H new ATOM 0 HA LYS A 73 2.389 8.313 2.851 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.229 9.282 2.484 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.858 10.351 2.704 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.416 9.297 4.921 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.825 8.278 4.702 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.293 10.231 4.576 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.918 11.318 4.590 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.326 10.565 6.872 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.667 9.436 6.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.247 11.474 8.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.201 11.305 6.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.901 12.398 6.629 1.00 0.00 H new ATOM 1133 N ALA A 74 1.898 8.774 0.439 1.00 0.00 N ATOM 1134 CA ALA A 74 1.578 9.127 -0.927 1.00 0.00 C ATOM 1135 C ALA A 74 1.560 10.637 -1.070 1.00 0.00 C ATOM 1136 O ALA A 74 0.607 11.295 -0.670 1.00 0.00 O ATOM 1137 CB ALA A 74 0.247 8.523 -1.334 1.00 0.00 C ATOM 0 H ALA A 74 1.087 8.601 1.033 1.00 0.00 H new ATOM 0 HA ALA A 74 2.341 8.723 -1.592 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.022 8.799 -2.364 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.300 7.437 -1.252 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.539 8.898 -0.678 1.00 0.00 H new ATOM 1143 N GLN A 75 2.632 11.180 -1.624 1.00 0.00 N ATOM 1144 CA GLN A 75 2.777 12.616 -1.770 1.00 0.00 C ATOM 1145 C GLN A 75 3.326 12.953 -3.150 1.00 0.00 C ATOM 1146 O GLN A 75 3.840 14.044 -3.383 1.00 0.00 O ATOM 1147 CB GLN A 75 3.716 13.145 -0.683 1.00 0.00 C ATOM 1148 CG GLN A 75 5.050 12.412 -0.626 1.00 0.00 C ATOM 1149 CD GLN A 75 5.926 12.852 0.536 1.00 0.00 C ATOM 1150 OE1 GLN A 75 5.867 13.998 0.979 1.00 0.00 O ATOM 1151 NE2 GLN A 75 6.745 11.940 1.039 1.00 0.00 N ATOM 0 H GLN A 75 3.420 10.641 -1.982 1.00 0.00 H new ATOM 0 HA GLN A 75 1.801 13.089 -1.663 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.900 14.205 -0.857 1.00 0.00 H new ATOM 0 HB3 GLN A 75 3.222 13.061 0.285 1.00 0.00 H new ATOM 0 HG2 GLN A 75 4.865 11.341 -0.548 1.00 0.00 H new ATOM 0 HG3 GLN A 75 5.587 12.576 -1.560 1.00 0.00 H new ATOM 0 HE21 GLN A 75 6.765 11.000 0.644 1.00 0.00 H new ATOM 0 HE22 GLN A 75 7.355 12.178 1.821 1.00 0.00 H new ATOM 1160 N GLN A 76 3.181 12.008 -4.063 1.00 0.00 N ATOM 1161 CA GLN A 76 3.761 12.124 -5.396 1.00 0.00 C ATOM 1162 C GLN A 76 2.882 12.981 -6.305 1.00 0.00 C ATOM 1163 O GLN A 76 3.382 13.811 -7.062 1.00 0.00 O ATOM 1164 CB GLN A 76 3.936 10.726 -6.003 1.00 0.00 C ATOM 1165 CG GLN A 76 4.584 10.723 -7.382 1.00 0.00 C ATOM 1166 CD GLN A 76 4.700 9.329 -7.974 1.00 0.00 C ATOM 1167 OE1 GLN A 76 5.622 9.040 -8.735 1.00 0.00 O ATOM 1168 NE2 GLN A 76 3.766 8.454 -7.630 1.00 0.00 N ATOM 0 H GLN A 76 2.663 11.144 -3.906 1.00 0.00 H new ATOM 0 HA GLN A 76 4.733 12.610 -5.309 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.541 10.122 -5.328 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.960 10.246 -6.071 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.000 11.351 -8.054 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.577 11.167 -7.313 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.016 8.731 -6.996 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.797 7.504 -7.999 1.00 0.00 H new ATOM 1177 N TYR A 77 1.576 12.781 -6.219 1.00 0.00 N ATOM 1178 CA TYR A 77 0.648 13.443 -7.123 1.00 0.00 C ATOM 1179 C TYR A 77 0.110 14.744 -6.526 1.00 0.00 C ATOM 1180 O TYR A 77 0.198 14.980 -5.319 1.00 0.00 O ATOM 1181 CB TYR A 77 -0.513 12.506 -7.464 1.00 0.00 C ATOM 1182 CG TYR A 77 -1.013 12.651 -8.884 1.00 0.00 C ATOM 1183 CD1 TYR A 77 -0.463 11.889 -9.905 1.00 0.00 C ATOM 1184 CD2 TYR A 77 -2.026 13.550 -9.206 1.00 0.00 C ATOM 1185 CE1 TYR A 77 -0.903 12.015 -11.206 1.00 0.00 C ATOM 1186 CE2 TYR A 77 -2.474 13.678 -10.507 1.00 0.00 C ATOM 1187 CZ TYR A 77 -1.905 12.910 -11.503 1.00 0.00 C ATOM 1188 OH TYR A 77 -2.340 13.035 -12.802 1.00 0.00 O ATOM 0 H TYR A 77 1.135 12.167 -5.534 1.00 0.00 H new ATOM 0 HA TYR A 77 1.193 13.693 -8.033 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -0.196 11.476 -7.303 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -1.337 12.697 -6.777 1.00 0.00 H new ATOM 0 HD1 TYR A 77 0.323 11.185 -9.677 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -2.468 14.156 -8.428 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -0.463 11.414 -11.988 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -3.265 14.375 -10.743 1.00 0.00 H new ATOM 0 HH TYR A 77 -3.052 13.707 -12.845 1.00 0.00 H new ATOM 1198 N ARG A 78 -0.437 15.572 -7.402 1.00 0.00 N ATOM 1199 CA ARG A 78 -1.019 16.860 -7.038 1.00 0.00 C ATOM 1200 C ARG A 78 -2.260 16.698 -6.157 1.00 0.00 C ATOM 1201 O ARG A 78 -2.502 17.511 -5.264 1.00 0.00 O ATOM 1202 CB ARG A 78 -1.375 17.614 -8.325 1.00 0.00 C ATOM 1203 CG ARG A 78 -2.122 18.923 -8.121 1.00 0.00 C ATOM 1204 CD ARG A 78 -1.300 19.946 -7.355 1.00 0.00 C ATOM 1205 NE ARG A 78 -1.771 21.304 -7.619 1.00 0.00 N ATOM 1206 CZ ARG A 78 -2.583 21.994 -6.818 1.00 0.00 C ATOM 1207 NH1 ARG A 78 -3.003 21.473 -5.671 1.00 0.00 N ATOM 1208 NH2 ARG A 78 -2.975 23.211 -7.171 1.00 0.00 N ATOM 0 H ARG A 78 -0.491 15.368 -8.400 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.289 17.423 -6.457 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.456 17.820 -8.873 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.981 16.962 -8.954 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.398 19.336 -9.091 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.049 18.729 -7.582 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.359 19.738 -6.287 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.251 19.860 -7.638 1.00 0.00 H new ATOM 0 HE ARG A 78 -1.456 21.756 -8.477 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.704 20.537 -5.396 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.624 22.009 -5.065 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.655 23.614 -8.052 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.596 23.743 -6.562 1.00 0.00 H new ATOM 1222 N THR A 79 -3.043 15.660 -6.414 1.00 0.00 N ATOM 1223 CA THR A 79 -4.283 15.444 -5.683 1.00 0.00 C ATOM 1224 C THR A 79 -4.184 14.236 -4.755 1.00 0.00 C ATOM 1225 O THR A 79 -3.516 13.247 -5.074 1.00 0.00 O ATOM 1226 CB THR A 79 -5.464 15.249 -6.650 1.00 0.00 C ATOM 1227 OG1 THR A 79 -5.141 14.250 -7.625 1.00 0.00 O ATOM 1228 CG2 THR A 79 -5.815 16.559 -7.342 1.00 0.00 C ATOM 0 H THR A 79 -2.842 14.955 -7.123 1.00 0.00 H new ATOM 0 HA THR A 79 -4.456 16.334 -5.078 1.00 0.00 H new ATOM 0 HB THR A 79 -6.329 14.920 -6.075 1.00 0.00 H new ATOM 0 HG1 THR A 79 -5.826 14.243 -8.326 1.00 0.00 H new ATOM 0 HG21 THR A 79 -6.652 16.399 -8.021 1.00 0.00 H new ATOM 0 HG22 THR A 79 -6.091 17.303 -6.595 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.953 16.915 -7.906 1.00 0.00 H new ATOM 1236 N GLN A 80 -4.852 14.324 -3.609 1.00 0.00 N ATOM 1237 CA GLN A 80 -4.869 13.232 -2.638 1.00 0.00 C ATOM 1238 C GLN A 80 -5.479 11.975 -3.248 1.00 0.00 C ATOM 1239 O GLN A 80 -4.998 10.873 -3.017 1.00 0.00 O ATOM 1240 CB GLN A 80 -5.670 13.620 -1.392 1.00 0.00 C ATOM 1241 CG GLN A 80 -5.189 14.892 -0.713 1.00 0.00 C ATOM 1242 CD GLN A 80 -5.897 15.147 0.607 1.00 0.00 C ATOM 1243 OE1 GLN A 80 -6.957 15.773 0.652 1.00 0.00 O ATOM 1244 NE2 GLN A 80 -5.311 14.668 1.693 1.00 0.00 N ATOM 0 H GLN A 80 -5.391 15.143 -3.328 1.00 0.00 H new ATOM 0 HA GLN A 80 -3.836 13.032 -2.354 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.717 13.744 -1.671 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -5.626 12.800 -0.675 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -4.115 14.824 -0.539 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -5.351 15.740 -1.379 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -4.433 14.155 1.614 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -5.737 14.812 2.608 1.00 0.00 H new ATOM 1253 N GLU A 81 -6.535 12.156 -4.032 1.00 0.00 N ATOM 1254 CA GLU A 81 -7.254 11.040 -4.635 1.00 0.00 C ATOM 1255 C GLU A 81 -6.342 10.205 -5.525 1.00 0.00 C ATOM 1256 O GLU A 81 -6.343 8.976 -5.453 1.00 0.00 O ATOM 1257 CB GLU A 81 -8.445 11.569 -5.438 1.00 0.00 C ATOM 1258 CG GLU A 81 -9.275 10.486 -6.105 1.00 0.00 C ATOM 1259 CD GLU A 81 -10.467 11.051 -6.847 1.00 0.00 C ATOM 1260 OE1 GLU A 81 -10.270 11.699 -7.895 1.00 0.00 O ATOM 1261 OE2 GLU A 81 -11.611 10.861 -6.382 1.00 0.00 O ATOM 0 H GLU A 81 -6.915 13.073 -4.267 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.615 10.393 -3.836 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.088 12.148 -4.775 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -8.078 12.253 -6.203 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -8.648 9.928 -6.800 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -9.621 9.780 -5.350 1.00 0.00 H new ATOM 1268 N GLN A 82 -5.548 10.869 -6.352 1.00 0.00 N ATOM 1269 CA GLN A 82 -4.659 10.161 -7.256 1.00 0.00 C ATOM 1270 C GLN A 82 -3.469 9.583 -6.507 1.00 0.00 C ATOM 1271 O GLN A 82 -2.948 8.538 -6.887 1.00 0.00 O ATOM 1272 CB GLN A 82 -4.207 11.060 -8.400 1.00 0.00 C ATOM 1273 CG GLN A 82 -5.350 11.452 -9.320 1.00 0.00 C ATOM 1274 CD GLN A 82 -6.089 10.249 -9.871 1.00 0.00 C ATOM 1275 OE1 GLN A 82 -5.502 9.190 -10.105 1.00 0.00 O ATOM 1276 NE2 GLN A 82 -7.389 10.397 -10.063 1.00 0.00 N ATOM 0 H GLN A 82 -5.502 11.886 -6.415 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.216 9.330 -7.690 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -3.749 11.961 -7.991 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.439 10.547 -8.979 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.050 12.086 -8.775 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -4.960 12.045 -10.147 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -7.837 11.290 -9.857 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.944 9.618 -10.417 1.00 0.00 H new ATOM 1285 N ASN A 83 -3.040 10.263 -5.450 1.00 0.00 N ATOM 1286 CA ASN A 83 -2.028 9.714 -4.548 1.00 0.00 C ATOM 1287 C ASN A 83 -2.554 8.445 -3.891 1.00 0.00 C ATOM 1288 O ASN A 83 -1.852 7.437 -3.805 1.00 0.00 O ATOM 1289 CB ASN A 83 -1.638 10.737 -3.478 1.00 0.00 C ATOM 1290 CG ASN A 83 -0.400 11.522 -3.852 1.00 0.00 C ATOM 1291 OD1 ASN A 83 0.505 11.002 -4.504 1.00 0.00 O ATOM 1292 ND2 ASN A 83 -0.345 12.778 -3.442 1.00 0.00 N ATOM 0 H ASN A 83 -3.374 11.192 -5.195 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.139 9.475 -5.132 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.467 11.426 -3.319 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -1.466 10.222 -2.533 1.00 0.00 H new ATOM 0 HD21 ASN A 83 0.468 13.352 -3.664 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.116 13.173 -2.903 1.00 0.00 H new ATOM 1299 N ARG A 84 -3.803 8.511 -3.451 1.00 0.00 N ATOM 1300 CA ARG A 84 -4.497 7.370 -2.867 1.00 0.00 C ATOM 1301 C ARG A 84 -4.491 6.188 -3.834 1.00 0.00 C ATOM 1302 O ARG A 84 -4.102 5.076 -3.479 1.00 0.00 O ATOM 1303 CB ARG A 84 -5.939 7.778 -2.560 1.00 0.00 C ATOM 1304 CG ARG A 84 -6.671 6.852 -1.609 1.00 0.00 C ATOM 1305 CD ARG A 84 -8.088 7.343 -1.368 1.00 0.00 C ATOM 1306 NE ARG A 84 -8.733 6.655 -0.252 1.00 0.00 N ATOM 1307 CZ ARG A 84 -9.657 7.219 0.525 1.00 0.00 C ATOM 1308 NH1 ARG A 84 -10.070 8.459 0.284 1.00 0.00 N ATOM 1309 NH2 ARG A 84 -10.178 6.537 1.539 1.00 0.00 N ATOM 0 H ARG A 84 -4.366 9.361 -3.489 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.989 7.067 -1.952 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -5.936 8.782 -2.137 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.495 7.828 -3.496 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.695 5.843 -2.022 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.134 6.796 -0.662 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.070 8.415 -1.169 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.679 7.197 -2.272 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.461 5.691 -0.057 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -9.679 8.984 -0.499 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -10.778 8.886 0.882 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -9.871 5.582 1.723 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -10.885 6.968 2.134 1.00 0.00 H new ATOM 1323 N ALA A 85 -4.915 6.454 -5.063 1.00 0.00 N ATOM 1324 CA ALA A 85 -4.990 5.432 -6.101 1.00 0.00 C ATOM 1325 C ALA A 85 -3.605 4.956 -6.527 1.00 0.00 C ATOM 1326 O ALA A 85 -3.433 3.806 -6.928 1.00 0.00 O ATOM 1327 CB ALA A 85 -5.751 5.968 -7.303 1.00 0.00 C ATOM 0 H ALA A 85 -5.216 7.380 -5.368 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.521 4.575 -5.687 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.803 5.199 -8.074 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -6.760 6.246 -7.000 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.236 6.844 -7.698 1.00 0.00 H new ATOM 1333 N ASP A 86 -2.626 5.842 -6.442 1.00 0.00 N ATOM 1334 CA ASP A 86 -1.254 5.514 -6.827 1.00 0.00 C ATOM 1335 C ASP A 86 -0.658 4.524 -5.839 1.00 0.00 C ATOM 1336 O ASP A 86 -0.053 3.523 -6.222 1.00 0.00 O ATOM 1337 CB ASP A 86 -0.398 6.780 -6.866 1.00 0.00 C ATOM 1338 CG ASP A 86 0.957 6.547 -7.500 1.00 0.00 C ATOM 1339 OD1 ASP A 86 1.047 6.592 -8.750 1.00 0.00 O ATOM 1340 OD2 ASP A 86 1.936 6.328 -6.762 1.00 0.00 O ATOM 0 H ASP A 86 -2.752 6.798 -6.109 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.269 5.065 -7.820 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -0.927 7.555 -7.422 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.261 7.153 -5.851 1.00 0.00 H new ATOM 1345 N ALA A 87 -0.841 4.819 -4.558 1.00 0.00 N ATOM 1346 CA ALA A 87 -0.400 3.931 -3.491 1.00 0.00 C ATOM 1347 C ALA A 87 -1.067 2.566 -3.624 1.00 0.00 C ATOM 1348 O ALA A 87 -0.419 1.528 -3.472 1.00 0.00 O ATOM 1349 CB ALA A 87 -0.698 4.549 -2.131 1.00 0.00 C ATOM 0 H ALA A 87 -1.295 5.672 -4.232 1.00 0.00 H new ATOM 0 HA ALA A 87 0.678 3.792 -3.575 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.363 3.874 -1.343 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.174 5.500 -2.041 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -1.771 4.715 -2.034 1.00 0.00 H new ATOM 1355 N LEU A 88 -2.361 2.577 -3.932 1.00 0.00 N ATOM 1356 CA LEU A 88 -3.115 1.345 -4.143 1.00 0.00 C ATOM 1357 C LEU A 88 -2.616 0.596 -5.377 1.00 0.00 C ATOM 1358 O LEU A 88 -2.675 -0.633 -5.430 1.00 0.00 O ATOM 1359 CB LEU A 88 -4.605 1.649 -4.289 1.00 0.00 C ATOM 1360 CG LEU A 88 -5.299 2.173 -3.029 1.00 0.00 C ATOM 1361 CD1 LEU A 88 -6.758 2.491 -3.322 1.00 0.00 C ATOM 1362 CD2 LEU A 88 -5.192 1.160 -1.898 1.00 0.00 C ATOM 0 H LEU A 88 -2.911 3.429 -4.041 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.963 0.710 -3.270 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.732 2.384 -5.084 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.113 0.740 -4.611 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.799 3.090 -2.716 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.238 2.862 -2.417 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.815 3.251 -4.101 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.267 1.588 -3.658 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.691 1.551 -1.011 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.666 0.226 -2.200 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.142 0.977 -1.672 1.00 0.00 H new ATOM 1374 N LEU A 89 -2.134 1.339 -6.364 1.00 0.00 N ATOM 1375 CA LEU A 89 -1.604 0.749 -7.585 1.00 0.00 C ATOM 1376 C LEU A 89 -0.401 -0.127 -7.249 1.00 0.00 C ATOM 1377 O LEU A 89 -0.372 -1.313 -7.583 1.00 0.00 O ATOM 1378 CB LEU A 89 -1.219 1.863 -8.575 1.00 0.00 C ATOM 1379 CG LEU A 89 -0.945 1.432 -10.025 1.00 0.00 C ATOM 1380 CD1 LEU A 89 0.415 0.759 -10.165 1.00 0.00 C ATOM 1381 CD2 LEU A 89 -2.042 0.507 -10.520 1.00 0.00 C ATOM 0 H LEU A 89 -2.099 2.358 -6.342 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.364 0.124 -8.053 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -2.021 2.602 -8.585 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.329 2.364 -8.195 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.935 2.333 -10.639 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.572 0.469 -11.204 1.00 0.00 H new ATOM 0 HD12 LEU A 89 1.198 1.453 -9.860 1.00 0.00 H new ATOM 0 HD13 LEU A 89 0.449 -0.127 -9.532 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.832 0.211 -11.548 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.082 -0.380 -9.888 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -3.000 1.025 -10.480 1.00 0.00 H new ATOM 1393 N ARG A 90 0.577 0.454 -6.558 1.00 0.00 N ATOM 1394 CA ARG A 90 1.764 -0.292 -6.158 1.00 0.00 C ATOM 1395 C ARG A 90 1.388 -1.418 -5.205 1.00 0.00 C ATOM 1396 O ARG A 90 1.900 -2.530 -5.318 1.00 0.00 O ATOM 1397 CB ARG A 90 2.799 0.620 -5.494 1.00 0.00 C ATOM 1398 CG ARG A 90 4.039 -0.129 -5.021 1.00 0.00 C ATOM 1399 CD ARG A 90 5.049 0.795 -4.362 1.00 0.00 C ATOM 1400 NE ARG A 90 6.259 0.081 -3.964 1.00 0.00 N ATOM 1401 CZ ARG A 90 7.492 0.543 -4.156 1.00 0.00 C ATOM 1402 NH1 ARG A 90 7.676 1.752 -4.682 1.00 0.00 N ATOM 1403 NH2 ARG A 90 8.539 -0.200 -3.810 1.00 0.00 N ATOM 0 H ARG A 90 0.570 1.431 -6.266 1.00 0.00 H new ATOM 0 HA ARG A 90 2.206 -0.714 -7.060 1.00 0.00 H new ATOM 0 HB2 ARG A 90 3.097 1.395 -6.200 1.00 0.00 H new ATOM 0 HB3 ARG A 90 2.339 1.123 -4.643 1.00 0.00 H new ATOM 0 HG2 ARG A 90 3.745 -0.906 -4.315 1.00 0.00 H new ATOM 0 HG3 ARG A 90 4.506 -0.629 -5.870 1.00 0.00 H new ATOM 0 HD2 ARG A 90 5.311 1.598 -5.051 1.00 0.00 H new ATOM 0 HD3 ARG A 90 4.598 1.261 -3.486 1.00 0.00 H new ATOM 0 HE ARG A 90 6.153 -0.827 -3.511 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.872 2.325 -4.938 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.621 2.106 -4.829 1.00 0.00 H new ATOM 0 HH21 ARG A 90 8.396 -1.122 -3.398 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.485 0.152 -3.956 1.00 0.00 H new ATOM 1417 N LEU A 91 0.481 -1.122 -4.283 1.00 0.00 N ATOM 1418 CA LEU A 91 0.032 -2.096 -3.295 1.00 0.00 C ATOM 1419 C LEU A 91 -0.514 -3.342 -3.982 1.00 0.00 C ATOM 1420 O LEU A 91 -0.082 -4.459 -3.706 1.00 0.00 O ATOM 1421 CB LEU A 91 -1.042 -1.447 -2.411 1.00 0.00 C ATOM 1422 CG LEU A 91 -1.422 -2.192 -1.122 1.00 0.00 C ATOM 1423 CD1 LEU A 91 -2.396 -3.328 -1.396 1.00 0.00 C ATOM 1424 CD2 LEU A 91 -0.179 -2.719 -0.418 1.00 0.00 C ATOM 0 H LEU A 91 0.038 -0.207 -4.198 1.00 0.00 H new ATOM 0 HA LEU A 91 0.874 -2.403 -2.675 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -0.700 -0.449 -2.138 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.944 -1.322 -3.009 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.920 -1.477 -0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.641 -3.831 -0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.306 -2.927 -1.842 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.939 -4.041 -2.082 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.471 -3.243 0.492 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.350 -3.406 -1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.475 -1.886 -0.163 1.00 0.00 H new ATOM 1436 N SER A 92 -1.434 -3.130 -4.908 1.00 0.00 N ATOM 1437 CA SER A 92 -2.094 -4.227 -5.601 1.00 0.00 C ATOM 1438 C SER A 92 -1.127 -4.956 -6.530 1.00 0.00 C ATOM 1439 O SER A 92 -1.191 -6.181 -6.671 1.00 0.00 O ATOM 1440 CB SER A 92 -3.285 -3.694 -6.396 1.00 0.00 C ATOM 1441 OG SER A 92 -4.049 -4.747 -6.960 1.00 0.00 O ATOM 0 H SER A 92 -1.743 -2.203 -5.200 1.00 0.00 H new ATOM 0 HA SER A 92 -2.445 -4.940 -4.855 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.919 -3.093 -5.744 1.00 0.00 H new ATOM 0 HB3 SER A 92 -2.929 -3.037 -7.189 1.00 0.00 H new ATOM 0 HG SER A 92 -4.804 -4.372 -7.460 1.00 0.00 H new ATOM 1447 N GLU A 93 -0.237 -4.208 -7.165 1.00 0.00 N ATOM 1448 CA GLU A 93 0.714 -4.798 -8.095 1.00 0.00 C ATOM 1449 C GLU A 93 1.750 -5.638 -7.371 1.00 0.00 C ATOM 1450 O GLU A 93 2.006 -6.770 -7.766 1.00 0.00 O ATOM 1451 CB GLU A 93 1.404 -3.729 -8.943 1.00 0.00 C ATOM 1452 CG GLU A 93 0.855 -3.642 -10.356 1.00 0.00 C ATOM 1453 CD GLU A 93 0.878 -4.984 -11.063 1.00 0.00 C ATOM 1454 OE1 GLU A 93 1.952 -5.385 -11.554 1.00 0.00 O ATOM 1455 OE2 GLU A 93 -0.178 -5.652 -11.114 1.00 0.00 O ATOM 0 H GLU A 93 -0.153 -3.197 -7.054 1.00 0.00 H new ATOM 0 HA GLU A 93 0.146 -5.450 -8.759 1.00 0.00 H new ATOM 0 HB2 GLU A 93 1.293 -2.760 -8.456 1.00 0.00 H new ATOM 0 HB3 GLU A 93 2.472 -3.943 -8.987 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.168 -3.268 -10.324 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.440 -2.922 -10.928 1.00 0.00 H new ATOM 1462 N LEU A 94 2.323 -5.096 -6.301 1.00 0.00 N ATOM 1463 CA LEU A 94 3.378 -5.783 -5.564 1.00 0.00 C ATOM 1464 C LEU A 94 2.857 -7.112 -5.016 1.00 0.00 C ATOM 1465 O LEU A 94 3.563 -8.120 -5.050 1.00 0.00 O ATOM 1466 CB LEU A 94 3.884 -4.885 -4.423 1.00 0.00 C ATOM 1467 CG LEU A 94 5.353 -5.067 -4.010 1.00 0.00 C ATOM 1468 CD1 LEU A 94 5.585 -6.413 -3.339 1.00 0.00 C ATOM 1469 CD2 LEU A 94 6.267 -4.910 -5.217 1.00 0.00 C ATOM 0 H LEU A 94 2.074 -4.181 -5.924 1.00 0.00 H new ATOM 0 HA LEU A 94 4.209 -5.993 -6.237 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.738 -3.845 -4.716 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.259 -5.060 -3.547 1.00 0.00 H new ATOM 0 HG LEU A 94 5.591 -4.291 -3.283 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.635 -6.505 -3.061 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.966 -6.485 -2.445 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.321 -7.214 -4.029 1.00 0.00 H new ATOM 0 HD21 LEU A 94 7.304 -5.042 -4.908 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.013 -5.661 -5.966 1.00 0.00 H new ATOM 0 HD23 LEU A 94 6.139 -3.915 -5.643 1.00 0.00 H new ATOM 1481 N ILE A 95 1.612 -7.108 -4.545 1.00 0.00 N ATOM 1482 CA ILE A 95 0.972 -8.319 -4.042 1.00 0.00 C ATOM 1483 C ILE A 95 1.005 -9.435 -5.088 1.00 0.00 C ATOM 1484 O ILE A 95 1.426 -10.556 -4.805 1.00 0.00 O ATOM 1485 CB ILE A 95 -0.493 -8.043 -3.624 1.00 0.00 C ATOM 1486 CG1 ILE A 95 -0.530 -7.183 -2.358 1.00 0.00 C ATOM 1487 CG2 ILE A 95 -1.259 -9.342 -3.407 1.00 0.00 C ATOM 1488 CD1 ILE A 95 -1.930 -6.839 -1.891 1.00 0.00 C ATOM 0 H ILE A 95 1.025 -6.275 -4.502 1.00 0.00 H new ATOM 0 HA ILE A 95 1.534 -8.641 -3.165 1.00 0.00 H new ATOM 0 HB ILE A 95 -0.979 -7.499 -4.434 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.009 -7.709 -1.558 1.00 0.00 H new ATOM 0 HG13 ILE A 95 0.019 -6.259 -2.542 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -2.284 -9.115 -3.114 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -1.265 -9.920 -4.331 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.777 -9.922 -2.620 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.873 -6.228 -0.990 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.448 -6.284 -2.673 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.477 -7.757 -1.674 1.00 0.00 H new ATOM 1500 N VAL A 96 0.580 -9.114 -6.300 1.00 0.00 N ATOM 1501 CA VAL A 96 0.554 -10.089 -7.383 1.00 0.00 C ATOM 1502 C VAL A 96 1.962 -10.329 -7.933 1.00 0.00 C ATOM 1503 O VAL A 96 2.308 -11.443 -8.325 1.00 0.00 O ATOM 1504 CB VAL A 96 -0.377 -9.626 -8.528 1.00 0.00 C ATOM 1505 CG1 VAL A 96 -0.497 -10.697 -9.600 1.00 0.00 C ATOM 1506 CG2 VAL A 96 -1.752 -9.263 -7.992 1.00 0.00 C ATOM 0 H VAL A 96 0.248 -8.185 -6.560 1.00 0.00 H new ATOM 0 HA VAL A 96 0.168 -11.022 -6.973 1.00 0.00 H new ATOM 0 HB VAL A 96 0.066 -8.738 -8.978 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.157 -10.346 -10.393 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.488 -10.908 -10.015 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.908 -11.606 -9.162 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.390 -8.940 -8.815 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.196 -10.134 -7.509 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.658 -8.454 -7.267 1.00 0.00 H new ATOM 1516 N ASN A 97 2.768 -9.278 -7.937 1.00 0.00 N ATOM 1517 CA ASN A 97 4.110 -9.313 -8.514 1.00 0.00 C ATOM 1518 C ASN A 97 5.004 -10.280 -7.751 1.00 0.00 C ATOM 1519 O ASN A 97 5.838 -10.966 -8.341 1.00 0.00 O ATOM 1520 CB ASN A 97 4.728 -7.912 -8.495 1.00 0.00 C ATOM 1521 CG ASN A 97 5.749 -7.702 -9.594 1.00 0.00 C ATOM 1522 OD1 ASN A 97 6.938 -7.970 -9.424 1.00 0.00 O ATOM 1523 ND2 ASN A 97 5.284 -7.217 -10.732 1.00 0.00 N ATOM 0 H ASN A 97 2.513 -8.374 -7.540 1.00 0.00 H new ATOM 0 HA ASN A 97 4.028 -9.657 -9.545 1.00 0.00 H new ATOM 0 HB2 ASN A 97 3.936 -7.170 -8.595 1.00 0.00 H new ATOM 0 HB3 ASN A 97 5.202 -7.743 -7.528 1.00 0.00 H new ATOM 0 HD21 ASN A 97 5.919 -7.051 -11.513 1.00 0.00 H new ATOM 0 HD22 ASN A 97 4.290 -7.009 -10.829 1.00 0.00 H new ATOM 1530 N ALA A 98 4.808 -10.349 -6.439 1.00 0.00 N ATOM 1531 CA ALA A 98 5.594 -11.237 -5.585 1.00 0.00 C ATOM 1532 C ALA A 98 5.416 -12.701 -5.975 1.00 0.00 C ATOM 1533 O ALA A 98 6.261 -13.540 -5.676 1.00 0.00 O ATOM 1534 CB ALA A 98 5.213 -11.032 -4.127 1.00 0.00 C ATOM 0 H ALA A 98 4.109 -9.799 -5.940 1.00 0.00 H new ATOM 0 HA ALA A 98 6.645 -10.985 -5.723 1.00 0.00 H new ATOM 0 HB1 ALA A 98 5.804 -11.698 -3.499 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.407 -9.998 -3.842 1.00 0.00 H new ATOM 0 HB3 ALA A 98 4.154 -11.252 -3.993 1.00 0.00 H new ATOM 1540 N ALA A 99 4.319 -13.004 -6.660 1.00 0.00 N ATOM 1541 CA ALA A 99 4.041 -14.367 -7.095 1.00 0.00 C ATOM 1542 C ALA A 99 4.892 -14.750 -8.304 1.00 0.00 C ATOM 1543 O ALA A 99 5.056 -15.935 -8.609 1.00 0.00 O ATOM 1544 CB ALA A 99 2.562 -14.528 -7.410 1.00 0.00 C ATOM 0 H ALA A 99 3.607 -12.323 -6.926 1.00 0.00 H new ATOM 0 HA ALA A 99 4.303 -15.041 -6.279 1.00 0.00 H new ATOM 0 HB1 ALA A 99 2.368 -15.551 -7.734 1.00 0.00 H new ATOM 0 HB2 ALA A 99 1.974 -14.312 -6.518 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.282 -13.837 -8.205 1.00 0.00 H new ATOM 1550 N LYS A 100 5.426 -13.749 -8.992 1.00 0.00 N ATOM 1551 CA LYS A 100 6.291 -13.993 -10.141 1.00 0.00 C ATOM 1552 C LYS A 100 7.735 -14.107 -9.687 1.00 0.00 C ATOM 1553 O LYS A 100 8.565 -14.738 -10.339 1.00 0.00 O ATOM 1554 CB LYS A 100 6.198 -12.860 -11.172 1.00 0.00 C ATOM 1555 CG LYS A 100 4.846 -12.705 -11.851 1.00 0.00 C ATOM 1556 CD LYS A 100 3.832 -12.011 -10.958 1.00 0.00 C ATOM 1557 CE LYS A 100 2.681 -11.435 -11.765 1.00 0.00 C ATOM 1558 NZ LYS A 100 3.123 -10.304 -12.628 1.00 0.00 N ATOM 0 H LYS A 100 5.277 -12.763 -8.776 1.00 0.00 H new ATOM 0 HA LYS A 100 5.958 -14.921 -10.605 1.00 0.00 H new ATOM 0 HB2 LYS A 100 6.447 -11.921 -10.678 1.00 0.00 H new ATOM 0 HB3 LYS A 100 6.954 -13.027 -11.939 1.00 0.00 H new ATOM 0 HG2 LYS A 100 4.967 -12.135 -12.772 1.00 0.00 H new ATOM 0 HG3 LYS A 100 4.468 -13.688 -12.132 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.445 -12.720 -10.226 1.00 0.00 H new ATOM 0 HD3 LYS A 100 4.322 -11.213 -10.401 1.00 0.00 H new ATOM 0 HE2 LYS A 100 2.245 -12.217 -12.386 1.00 0.00 H new ATOM 0 HE3 LYS A 100 1.898 -11.092 -11.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 2.304 -9.709 -12.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 3.829 -9.734 -12.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 3.545 -10.678 -13.502 1.00 0.00 H new ATOM 1572 N LEU A 101 8.017 -13.483 -8.562 1.00 0.00 N ATOM 1573 CA LEU A 101 9.355 -13.416 -8.031 1.00 0.00 C ATOM 1574 C LEU A 101 9.632 -14.599 -7.123 1.00 0.00 C ATOM 1575 O LEU A 101 8.714 -15.310 -6.709 1.00 0.00 O ATOM 1576 CB LEU A 101 9.527 -12.117 -7.250 1.00 0.00 C ATOM 1577 CG LEU A 101 9.245 -10.836 -8.041 1.00 0.00 C ATOM 1578 CD1 LEU A 101 9.394 -9.616 -7.144 1.00 0.00 C ATOM 1579 CD2 LEU A 101 10.174 -10.732 -9.242 1.00 0.00 C ATOM 0 H LEU A 101 7.319 -13.007 -7.991 1.00 0.00 H new ATOM 0 HA LEU A 101 10.062 -13.444 -8.860 1.00 0.00 H new ATOM 0 HB2 LEU A 101 8.866 -12.143 -6.384 1.00 0.00 H new ATOM 0 HB3 LEU A 101 10.548 -12.073 -6.870 1.00 0.00 H new ATOM 0 HG LEU A 101 8.218 -10.875 -8.405 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.191 -8.714 -7.720 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.688 -9.685 -6.316 1.00 0.00 H new ATOM 0 HD13 LEU A 101 10.410 -9.575 -6.752 1.00 0.00 H new ATOM 0 HD21 LEU A 101 9.958 -9.815 -9.791 1.00 0.00 H new ATOM 0 HD22 LEU A 101 11.209 -10.715 -8.901 1.00 0.00 H new ATOM 0 HD23 LEU A 101 10.021 -11.591 -9.896 1.00 0.00 H new ATOM 1591 N GLU A 102 10.899 -14.820 -6.840 1.00 0.00 N ATOM 1592 CA GLU A 102 11.295 -15.840 -5.892 1.00 0.00 C ATOM 1593 C GLU A 102 11.891 -15.160 -4.657 1.00 0.00 C ATOM 1594 O GLU A 102 11.204 -14.961 -3.658 1.00 0.00 O ATOM 1595 CB GLU A 102 12.280 -16.821 -6.553 1.00 0.00 C ATOM 1596 CG GLU A 102 12.230 -18.234 -5.990 1.00 0.00 C ATOM 1597 CD GLU A 102 12.603 -18.303 -4.528 1.00 0.00 C ATOM 1598 OE1 GLU A 102 13.797 -18.128 -4.206 1.00 0.00 O ATOM 1599 OE2 GLU A 102 11.702 -18.524 -3.692 1.00 0.00 O ATOM 0 H GLU A 102 11.675 -14.304 -7.255 1.00 0.00 H new ATOM 0 HA GLU A 102 10.431 -16.425 -5.575 1.00 0.00 H new ATOM 0 HB2 GLU A 102 12.072 -16.861 -7.622 1.00 0.00 H new ATOM 0 HB3 GLU A 102 13.292 -16.433 -6.439 1.00 0.00 H new ATOM 0 HG2 GLU A 102 11.225 -18.636 -6.122 1.00 0.00 H new ATOM 0 HG3 GLU A 102 12.905 -18.871 -6.562 1.00 0.00 H new ATOM 1606 N HIS A 103 13.158 -14.771 -4.740 1.00 0.00 N ATOM 1607 CA HIS A 103 13.798 -13.989 -3.682 1.00 0.00 C ATOM 1608 C HIS A 103 14.828 -13.036 -4.273 1.00 0.00 C ATOM 1609 O HIS A 103 15.751 -12.593 -3.588 1.00 0.00 O ATOM 1610 CB HIS A 103 14.460 -14.895 -2.637 1.00 0.00 C ATOM 1611 CG HIS A 103 13.493 -15.500 -1.666 1.00 0.00 C ATOM 1612 ND1 HIS A 103 12.717 -14.745 -0.812 1.00 0.00 N ATOM 1613 CD2 HIS A 103 13.167 -16.790 -1.424 1.00 0.00 C ATOM 1614 CE1 HIS A 103 11.959 -15.546 -0.087 1.00 0.00 C ATOM 1615 NE2 HIS A 103 12.214 -16.789 -0.439 1.00 0.00 N ATOM 0 H HIS A 103 13.766 -14.984 -5.531 1.00 0.00 H new ATOM 0 HA HIS A 103 13.020 -13.410 -3.184 1.00 0.00 H new ATOM 0 HB2 HIS A 103 14.995 -15.695 -3.149 1.00 0.00 H new ATOM 0 HB3 HIS A 103 15.202 -14.317 -2.085 1.00 0.00 H new ATOM 0 HD2 HIS A 103 13.580 -17.659 -1.915 1.00 0.00 H new ATOM 0 HE1 HIS A 103 11.250 -15.235 0.666 1.00 0.00 H new ATOM 0 HE2 HIS A 103 11.773 -17.619 -0.042 1.00 0.00 H new ATOM 1624 N HIS A 104 14.650 -12.709 -5.547 1.00 0.00 N ATOM 1625 CA HIS A 104 15.543 -11.782 -6.231 1.00 0.00 C ATOM 1626 C HIS A 104 15.149 -10.348 -5.907 1.00 0.00 C ATOM 1627 O HIS A 104 14.048 -9.914 -6.239 1.00 0.00 O ATOM 1628 CB HIS A 104 15.499 -11.987 -7.748 1.00 0.00 C ATOM 1629 CG HIS A 104 15.921 -13.347 -8.212 1.00 0.00 C ATOM 1630 ND1 HIS A 104 15.109 -14.161 -8.972 1.00 0.00 N ATOM 1631 CD2 HIS A 104 17.086 -14.017 -8.062 1.00 0.00 C ATOM 1632 CE1 HIS A 104 15.756 -15.270 -9.268 1.00 0.00 C ATOM 1633 NE2 HIS A 104 16.960 -15.211 -8.731 1.00 0.00 N ATOM 0 H HIS A 104 13.895 -13.072 -6.128 1.00 0.00 H new ATOM 0 HA HIS A 104 16.558 -11.976 -5.883 1.00 0.00 H new ATOM 0 HB2 HIS A 104 14.483 -11.799 -8.096 1.00 0.00 H new ATOM 0 HB3 HIS A 104 16.141 -11.243 -8.220 1.00 0.00 H new ATOM 0 HD2 HIS A 104 17.954 -13.677 -7.517 1.00 0.00 H new ATOM 0 HE1 HIS A 104 15.366 -16.090 -9.852 1.00 0.00 H new ATOM 0 HE2 HIS A 104 17.678 -15.932 -8.801 1.00 0.00 H new ATOM 1642 N HIS A 105 16.042 -9.615 -5.261 1.00 0.00 N ATOM 1643 CA HIS A 105 15.759 -8.229 -4.902 1.00 0.00 C ATOM 1644 C HIS A 105 16.396 -7.263 -5.894 1.00 0.00 C ATOM 1645 O HIS A 105 16.436 -6.056 -5.666 1.00 0.00 O ATOM 1646 CB HIS A 105 16.210 -7.916 -3.466 1.00 0.00 C ATOM 1647 CG HIS A 105 17.683 -8.064 -3.200 1.00 0.00 C ATOM 1648 ND1 HIS A 105 18.224 -9.165 -2.578 1.00 0.00 N ATOM 1649 CD2 HIS A 105 18.719 -7.222 -3.432 1.00 0.00 C ATOM 1650 CE1 HIS A 105 19.524 -8.995 -2.436 1.00 0.00 C ATOM 1651 NE2 HIS A 105 19.855 -7.823 -2.944 1.00 0.00 N ATOM 0 H HIS A 105 16.962 -9.950 -4.975 1.00 0.00 H new ATOM 0 HA HIS A 105 14.678 -8.095 -4.946 1.00 0.00 H new ATOM 0 HB2 HIS A 105 15.917 -6.894 -3.227 1.00 0.00 H new ATOM 0 HB3 HIS A 105 15.668 -8.571 -2.783 1.00 0.00 H new ATOM 0 HD2 HIS A 105 18.663 -6.256 -3.912 1.00 0.00 H new ATOM 0 HE1 HIS A 105 20.205 -9.698 -1.980 1.00 0.00 H new ATOM 0 HE2 HIS A 105 20.796 -7.429 -2.970 1.00 0.00 H new ATOM 1660 N HIS A 106 16.883 -7.801 -7.003 1.00 0.00 N ATOM 1661 CA HIS A 106 17.481 -6.987 -8.051 1.00 0.00 C ATOM 1662 C HIS A 106 16.493 -6.800 -9.198 1.00 0.00 C ATOM 1663 O HIS A 106 15.886 -7.766 -9.664 1.00 0.00 O ATOM 1664 CB HIS A 106 18.769 -7.650 -8.554 1.00 0.00 C ATOM 1665 CG HIS A 106 19.556 -6.825 -9.530 1.00 0.00 C ATOM 1666 ND1 HIS A 106 20.642 -6.060 -9.164 1.00 0.00 N ATOM 1667 CD2 HIS A 106 19.425 -6.667 -10.866 1.00 0.00 C ATOM 1668 CE1 HIS A 106 21.141 -5.468 -10.231 1.00 0.00 C ATOM 1669 NE2 HIS A 106 20.421 -5.820 -11.276 1.00 0.00 N ATOM 0 H HIS A 106 16.875 -8.802 -7.200 1.00 0.00 H new ATOM 0 HA HIS A 106 17.728 -6.006 -7.645 1.00 0.00 H new ATOM 0 HB2 HIS A 106 19.403 -7.879 -7.697 1.00 0.00 H new ATOM 0 HB3 HIS A 106 18.514 -8.600 -9.024 1.00 0.00 H new ATOM 0 HD2 HIS A 106 18.674 -7.124 -11.494 1.00 0.00 H new ATOM 0 HE1 HIS A 106 21.995 -4.807 -10.246 1.00 0.00 H new ATOM 0 HE2 HIS A 106 20.579 -5.512 -12.235 1.00 0.00 H new ATOM 1678 N HIS A 107 16.331 -5.560 -9.641 1.00 0.00 N ATOM 1679 CA HIS A 107 15.421 -5.244 -10.738 1.00 0.00 C ATOM 1680 C HIS A 107 15.973 -4.113 -11.593 1.00 0.00 C ATOM 1681 O HIS A 107 15.848 -2.939 -11.244 1.00 0.00 O ATOM 1682 CB HIS A 107 14.033 -4.866 -10.210 1.00 0.00 C ATOM 1683 CG HIS A 107 13.164 -6.044 -9.903 1.00 0.00 C ATOM 1684 ND1 HIS A 107 12.754 -6.374 -8.628 1.00 0.00 N ATOM 1685 CD2 HIS A 107 12.616 -6.970 -10.724 1.00 0.00 C ATOM 1686 CE1 HIS A 107 11.992 -7.451 -8.680 1.00 0.00 C ATOM 1687 NE2 HIS A 107 11.892 -7.831 -9.940 1.00 0.00 N ATOM 0 H HIS A 107 16.820 -4.752 -9.256 1.00 0.00 H new ATOM 0 HA HIS A 107 15.328 -6.138 -11.355 1.00 0.00 H new ATOM 0 HB2 HIS A 107 14.149 -4.266 -9.307 1.00 0.00 H new ATOM 0 HB3 HIS A 107 13.532 -4.239 -10.947 1.00 0.00 H new ATOM 0 HD1 HIS A 107 13.001 -5.866 -7.779 1.00 0.00 H new ATOM 0 HD2 HIS A 107 12.728 -7.021 -11.797 1.00 0.00 H new ATOM 0 HE1 HIS A 107 11.529 -7.938 -7.835 1.00 0.00 H new ATOM 1696 N HIS A 108 16.605 -4.477 -12.697 1.00 0.00 N ATOM 1697 CA HIS A 108 17.122 -3.501 -13.642 1.00 0.00 C ATOM 1698 C HIS A 108 17.442 -4.189 -14.962 1.00 0.00 C ATOM 1699 O HIS A 108 18.530 -4.794 -15.069 1.00 0.00 O ATOM 1700 CB HIS A 108 18.368 -2.810 -13.085 1.00 0.00 C ATOM 1701 CG HIS A 108 18.785 -1.612 -13.877 1.00 0.00 C ATOM 1702 ND1 HIS A 108 18.173 -0.384 -13.754 1.00 0.00 N ATOM 1703 CD2 HIS A 108 19.746 -1.457 -14.815 1.00 0.00 C ATOM 1704 CE1 HIS A 108 18.738 0.472 -14.579 1.00 0.00 C ATOM 1705 NE2 HIS A 108 19.699 -0.152 -15.234 1.00 0.00 N ATOM 1706 OXT HIS A 108 16.598 -4.141 -15.881 1.00 0.00 O ATOM 0 H HIS A 108 16.773 -5.448 -12.962 1.00 0.00 H new ATOM 0 HA HIS A 108 16.362 -2.738 -13.809 1.00 0.00 H new ATOM 0 HB2 HIS A 108 18.177 -2.508 -12.055 1.00 0.00 H new ATOM 0 HB3 HIS A 108 19.191 -3.525 -13.060 1.00 0.00 H new ATOM 0 HD2 HIS A 108 20.425 -2.219 -15.169 1.00 0.00 H new ATOM 0 HE1 HIS A 108 18.462 1.509 -14.700 1.00 0.00 H new ATOM 0 HE2 HIS A 108 20.307 0.268 -15.937 1.00 0.00 H new TER 1715 HIS A 108