USER MOD reduce.3.24.130724 H: found=0, std=0, add=891, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 892 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 19 TYR OH : rot -143:sc= 0.377 USER MOD Set 1.2: A 24 CYS SG : rot 160:sc= -1.16 USER MOD Set 1.3: A 83 HIS : no HD1:sc= 0.00188 X(o=-0.75,f=-1.2) USER MOD Set 1.4: A 84 SER OG : rot 103:sc= 0.0329 USER MOD Set 2.1: A 37 ASN : amide:sc= 0.869 K(o=1.9,f=-4.1!) USER MOD Set 2.2: A 106 THR OG1 : rot -12:sc= 0.996 USER MOD Single : A 1 MET CE :methyl -110:sc= -0.212 (180deg=-2.77!) USER MOD Single : A 1 MET N :NH3+ -168:sc= 0.295! (180deg=-0.247!) USER MOD Single : A 2 LYS NZ :NH3+ -149:sc= 1.06 (180deg=0.0436) USER MOD Single : A 3 THR OG1 : rot 69:sc= 0.906 USER MOD Single : A 4 THR OG1 : rot 180:sc= -1.56! USER MOD Single : A 10 GLN :FLIP amide:sc= -0.31 F(o=-1.1,f=-0.31) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=-0.0041) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -0.0803 X(o=-0.08,f=-0.51) USER MOD Single : A 74 GLN : amide:sc= -0.0297 X(o=-0.03,f=-0.014) USER MOD Single : A 82 TYR OH : rot -143:sc= 0.242 USER MOD Single : A 85 HIS : no HE2:sc= 1.17 K(o=1.2,f=-5!) USER MOD Single : A 88 HIS : no HE2:sc= 1.14 K(o=1.1,f=-4.6!) USER MOD Single : A 93 SER OG : rot -79:sc= 1.27 USER MOD Single : A 95 THR OG1 : rot 180:sc=0.000232 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot -9:sc= -0.661 USER MOD Single : A 111 SER OG : rot -145:sc= 0.606 USER MOD Single : A 121 THR OG1 : rot 180:sc= -0.0932 USER MOD Single : A 130 SER OG : rot 180:sc= -0.439 USER MOD Single : A 133 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.134 -7.630 5.009 1.00 0.00 N ATOM 2 CA MET A 1 -8.585 -6.988 3.794 1.00 0.00 C ATOM 3 C MET A 1 -8.621 -7.954 2.615 1.00 0.00 C ATOM 4 O MET A 1 -8.210 -9.110 2.736 1.00 0.00 O ATOM 5 CB MET A 1 -7.150 -6.525 4.058 1.00 0.00 C ATOM 6 CG MET A 1 -6.412 -6.055 2.816 1.00 0.00 C ATOM 7 SD MET A 1 -4.689 -5.639 3.151 1.00 0.00 S ATOM 8 CE MET A 1 -4.068 -5.367 1.496 1.00 0.00 C ATOM 0 H1 MET A 1 -9.292 -6.909 5.742 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.036 -8.093 4.779 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.460 -8.340 5.361 1.00 0.00 H new ATOM 0 HA MET A 1 -9.199 -6.123 3.545 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.169 -5.713 4.785 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.592 -7.345 4.511 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.453 -6.835 2.056 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.919 -5.183 2.404 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.386 -6.173 1.226 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.901 -5.346 0.794 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.538 -4.415 1.458 1.00 0.00 H new ATOM 20 N LYS A 2 -9.121 -7.477 1.484 1.00 0.00 N ATOM 21 CA LYS A 2 -9.152 -8.261 0.261 1.00 0.00 C ATOM 22 C LYS A 2 -8.012 -7.853 -0.659 1.00 0.00 C ATOM 23 O LYS A 2 -7.889 -6.685 -1.033 1.00 0.00 O ATOM 24 CB LYS A 2 -10.481 -8.081 -0.474 1.00 0.00 C ATOM 25 CG LYS A 2 -11.458 -9.236 -0.310 1.00 0.00 C ATOM 26 CD LYS A 2 -12.035 -9.310 1.091 1.00 0.00 C ATOM 27 CE LYS A 2 -13.330 -10.109 1.111 1.00 0.00 C ATOM 28 NZ LYS A 2 -13.157 -11.494 0.594 1.00 0.00 N ATOM 0 H LYS A 2 -9.514 -6.541 1.390 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.041 -9.310 0.537 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -10.957 -7.167 -0.119 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.278 -7.942 -1.536 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.270 -9.127 -1.029 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -10.951 -10.173 -0.541 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.310 -9.771 1.762 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.220 -8.303 1.465 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.711 -10.151 2.132 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -14.080 -9.593 0.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.039 -11.808 0.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -12.385 -11.511 -0.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -12.927 -12.132 1.382 1.00 0.00 H new ATOM 42 N THR A 3 -7.176 -8.810 -1.008 1.00 0.00 N ATOM 43 CA THR A 3 -6.099 -8.572 -1.949 1.00 0.00 C ATOM 44 C THR A 3 -5.645 -9.896 -2.563 1.00 0.00 C ATOM 45 O THR A 3 -6.009 -10.971 -2.077 1.00 0.00 O ATOM 46 CB THR A 3 -4.912 -7.844 -1.279 1.00 0.00 C ATOM 47 OG1 THR A 3 -4.001 -7.360 -2.270 1.00 0.00 O ATOM 48 CG2 THR A 3 -4.173 -8.763 -0.322 1.00 0.00 C ATOM 0 H THR A 3 -7.222 -9.765 -0.652 1.00 0.00 H new ATOM 0 HA THR A 3 -6.473 -7.922 -2.740 1.00 0.00 H new ATOM 0 HB THR A 3 -5.316 -7.004 -0.714 1.00 0.00 H new ATOM 0 HG1 THR A 3 -4.423 -6.635 -2.776 1.00 0.00 H new ATOM 0 HG21 THR A 3 -3.343 -8.223 0.134 1.00 0.00 H new ATOM 0 HG22 THR A 3 -4.856 -9.103 0.456 1.00 0.00 H new ATOM 0 HG23 THR A 3 -3.788 -9.624 -0.868 1.00 0.00 H new ATOM 56 N THR A 4 -4.859 -9.822 -3.626 1.00 0.00 N ATOM 57 CA THR A 4 -4.422 -11.014 -4.333 1.00 0.00 C ATOM 58 C THR A 4 -3.015 -11.422 -3.914 1.00 0.00 C ATOM 59 O THR A 4 -2.224 -10.591 -3.463 1.00 0.00 O ATOM 60 CB THR A 4 -4.450 -10.791 -5.855 1.00 0.00 C ATOM 61 OG1 THR A 4 -3.832 -9.540 -6.171 1.00 0.00 O ATOM 62 CG2 THR A 4 -5.874 -10.813 -6.385 1.00 0.00 C ATOM 0 H THR A 4 -4.511 -8.947 -4.018 1.00 0.00 H new ATOM 0 HA THR A 4 -5.115 -11.814 -4.072 1.00 0.00 H new ATOM 0 HB THR A 4 -3.898 -11.602 -6.331 1.00 0.00 H new ATOM 0 HG1 THR A 4 -3.850 -9.402 -7.141 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.863 -10.653 -7.463 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.329 -11.779 -6.166 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.453 -10.023 -5.906 1.00 0.00 H new ATOM 70 N PRO A 5 -2.698 -12.722 -4.041 1.00 0.00 N ATOM 71 CA PRO A 5 -1.355 -13.244 -3.783 1.00 0.00 C ATOM 72 C PRO A 5 -0.293 -12.514 -4.600 1.00 0.00 C ATOM 73 O PRO A 5 0.846 -12.362 -4.160 1.00 0.00 O ATOM 74 CB PRO A 5 -1.436 -14.718 -4.208 1.00 0.00 C ATOM 75 CG PRO A 5 -2.729 -14.865 -4.938 1.00 0.00 C ATOM 76 CD PRO A 5 -3.635 -13.791 -4.413 1.00 0.00 C ATOM 0 HA PRO A 5 -1.066 -13.113 -2.740 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -0.595 -14.987 -4.847 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.401 -15.377 -3.340 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -2.583 -14.759 -6.013 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -3.159 -15.852 -4.771 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -4.347 -13.459 -5.168 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -4.215 -14.135 -3.557 1.00 0.00 H new ATOM 84 N ASP A 6 -0.678 -12.068 -5.792 1.00 0.00 N ATOM 85 CA ASP A 6 0.214 -11.289 -6.648 1.00 0.00 C ATOM 86 C ASP A 6 0.611 -9.986 -5.964 1.00 0.00 C ATOM 87 O ASP A 6 1.787 -9.629 -5.928 1.00 0.00 O ATOM 88 CB ASP A 6 -0.447 -10.990 -7.990 1.00 0.00 C ATOM 89 CG ASP A 6 0.420 -10.121 -8.880 1.00 0.00 C ATOM 90 OD1 ASP A 6 1.254 -10.670 -9.632 1.00 0.00 O ATOM 91 OD2 ASP A 6 0.263 -8.885 -8.845 1.00 0.00 O ATOM 0 H ASP A 6 -1.603 -12.233 -6.189 1.00 0.00 H new ATOM 0 HA ASP A 6 1.111 -11.882 -6.825 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -0.664 -11.927 -8.502 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -1.401 -10.492 -7.819 1.00 0.00 H new ATOM 96 N ILE A 7 -0.372 -9.287 -5.404 1.00 0.00 N ATOM 97 CA ILE A 7 -0.113 -8.046 -4.683 1.00 0.00 C ATOM 98 C ILE A 7 0.757 -8.319 -3.458 1.00 0.00 C ATOM 99 O ILE A 7 1.720 -7.599 -3.199 1.00 0.00 O ATOM 100 CB ILE A 7 -1.426 -7.352 -4.249 1.00 0.00 C ATOM 101 CG1 ILE A 7 -2.254 -6.951 -5.473 1.00 0.00 C ATOM 102 CG2 ILE A 7 -1.140 -6.133 -3.380 1.00 0.00 C ATOM 103 CD1 ILE A 7 -1.543 -5.996 -6.409 1.00 0.00 C ATOM 0 H ILE A 7 -1.355 -9.559 -5.436 1.00 0.00 H new ATOM 0 HA ILE A 7 0.414 -7.375 -5.362 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.001 -8.064 -3.657 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.527 -7.850 -6.025 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.183 -6.490 -5.136 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.080 -5.665 -3.089 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.597 -6.442 -2.487 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.537 -5.419 -3.942 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.194 -5.760 -7.251 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.294 -5.080 -5.874 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.628 -6.461 -6.777 1.00 0.00 H new ATOM 115 N LEU A 8 0.420 -9.378 -2.725 1.00 0.00 N ATOM 116 CA LEU A 8 1.195 -9.786 -1.556 1.00 0.00 C ATOM 117 C LEU A 8 2.644 -10.072 -1.940 1.00 0.00 C ATOM 118 O LEU A 8 3.574 -9.702 -1.222 1.00 0.00 O ATOM 119 CB LEU A 8 0.576 -11.030 -0.913 1.00 0.00 C ATOM 120 CG LEU A 8 -0.828 -10.840 -0.335 1.00 0.00 C ATOM 121 CD1 LEU A 8 -1.373 -12.162 0.180 1.00 0.00 C ATOM 122 CD2 LEU A 8 -0.806 -9.800 0.775 1.00 0.00 C ATOM 0 H LEU A 8 -0.387 -9.970 -2.921 1.00 0.00 H new ATOM 0 HA LEU A 8 1.178 -8.967 -0.837 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.539 -11.824 -1.659 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.236 -11.373 -0.116 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.486 -10.484 -1.128 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.372 -12.009 0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.421 -12.880 -0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.717 -12.546 0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.812 -9.675 1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.136 -10.130 1.569 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.454 -8.849 0.375 1.00 0.00 H new ATOM 134 N ASP A 9 2.826 -10.721 -3.081 1.00 0.00 N ATOM 135 CA ASP A 9 4.156 -11.026 -3.584 1.00 0.00 C ATOM 136 C ASP A 9 4.881 -9.747 -3.976 1.00 0.00 C ATOM 137 O ASP A 9 6.059 -9.571 -3.662 1.00 0.00 O ATOM 138 CB ASP A 9 4.070 -11.967 -4.781 1.00 0.00 C ATOM 139 CG ASP A 9 5.427 -12.494 -5.197 1.00 0.00 C ATOM 140 OD1 ASP A 9 5.936 -13.416 -4.525 1.00 0.00 O ATOM 141 OD2 ASP A 9 5.981 -12.003 -6.199 1.00 0.00 O ATOM 0 H ASP A 9 2.066 -11.047 -3.677 1.00 0.00 H new ATOM 0 HA ASP A 9 4.719 -11.519 -2.791 1.00 0.00 H new ATOM 0 HB2 ASP A 9 3.417 -12.805 -4.535 1.00 0.00 H new ATOM 0 HB3 ASP A 9 3.614 -11.443 -5.620 1.00 0.00 H new ATOM 146 N GLN A 10 4.164 -8.852 -4.654 1.00 0.00 N ATOM 147 CA GLN A 10 4.708 -7.551 -5.032 1.00 0.00 C ATOM 148 C GLN A 10 5.202 -6.780 -3.816 1.00 0.00 C ATOM 149 O GLN A 10 6.208 -6.081 -3.892 1.00 0.00 O ATOM 150 CB GLN A 10 3.671 -6.712 -5.778 1.00 0.00 C ATOM 151 CG GLN A 10 3.461 -7.136 -7.217 1.00 0.00 C ATOM 152 CD GLN A 10 2.659 -6.117 -8.008 1.00 0.00 C ATOM 153 OE1 GLN A 10 1.354 -6.321 -8.098 1.00 0.00 O flip ATOM 154 NE2 GLN A 10 3.215 -5.169 -8.561 1.00 0.00 N flip ATOM 0 H GLN A 10 3.201 -9.006 -4.953 1.00 0.00 H new ATOM 0 HA GLN A 10 5.553 -7.742 -5.694 1.00 0.00 H new ATOM 0 HB2 GLN A 10 2.720 -6.772 -5.249 1.00 0.00 H new ATOM 0 HB3 GLN A 10 3.981 -5.667 -5.759 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.430 -7.283 -7.695 1.00 0.00 H new ATOM 0 HG3 GLN A 10 2.946 -8.096 -7.239 1.00 0.00 H new ATOM 0 HE21 GLN A 10 4.223 -5.045 -8.469 1.00 0.00 H new ATOM 0 HE22 GLN A 10 2.668 -4.507 -9.112 1.00 0.00 H new ATOM 163 N ILE A 11 4.494 -6.911 -2.699 1.00 0.00 N ATOM 164 CA ILE A 11 4.904 -6.273 -1.450 1.00 0.00 C ATOM 165 C ILE A 11 6.299 -6.749 -1.050 1.00 0.00 C ATOM 166 O ILE A 11 7.174 -5.947 -0.717 1.00 0.00 O ATOM 167 CB ILE A 11 3.913 -6.574 -0.300 1.00 0.00 C ATOM 168 CG1 ILE A 11 2.524 -6.026 -0.638 1.00 0.00 C ATOM 169 CG2 ILE A 11 4.414 -5.979 1.010 1.00 0.00 C ATOM 170 CD1 ILE A 11 1.463 -6.356 0.390 1.00 0.00 C ATOM 0 H ILE A 11 3.633 -7.453 -2.632 1.00 0.00 H new ATOM 0 HA ILE A 11 4.913 -5.197 -1.621 1.00 0.00 H new ATOM 0 HB ILE A 11 3.842 -7.655 -0.181 1.00 0.00 H new ATOM 0 HG12 ILE A 11 2.588 -4.943 -0.744 1.00 0.00 H new ATOM 0 HG13 ILE A 11 2.214 -6.423 -1.605 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.703 -6.202 1.806 1.00 0.00 H new ATOM 0 HG22 ILE A 11 5.384 -6.410 1.258 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.514 -4.899 0.904 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.509 -5.932 0.077 1.00 0.00 H new ATOM 0 HD12 ILE A 11 1.368 -7.438 0.480 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.748 -5.935 1.354 1.00 0.00 H new ATOM 182 N ARG A 12 6.503 -8.057 -1.109 1.00 0.00 N ATOM 183 CA ARG A 12 7.788 -8.651 -0.762 1.00 0.00 C ATOM 184 C ARG A 12 8.876 -8.216 -1.738 1.00 0.00 C ATOM 185 O ARG A 12 9.968 -7.817 -1.332 1.00 0.00 O ATOM 186 CB ARG A 12 7.684 -10.180 -0.747 1.00 0.00 C ATOM 187 CG ARG A 12 6.706 -10.716 0.287 1.00 0.00 C ATOM 188 CD ARG A 12 6.721 -12.237 0.334 1.00 0.00 C ATOM 189 NE ARG A 12 6.278 -12.840 -0.923 1.00 0.00 N ATOM 190 CZ ARG A 12 5.455 -13.884 -0.995 1.00 0.00 C ATOM 191 NH1 ARG A 12 5.023 -14.473 0.112 1.00 0.00 N ATOM 192 NH2 ARG A 12 5.087 -14.357 -2.176 1.00 0.00 N ATOM 0 H ARG A 12 5.792 -8.731 -1.395 1.00 0.00 H new ATOM 0 HA ARG A 12 8.059 -8.301 0.234 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.379 -10.524 -1.735 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.671 -10.601 -0.553 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.960 -10.318 1.270 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.700 -10.368 0.052 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.730 -12.580 0.562 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.077 -12.579 1.144 1.00 0.00 H new ATOM 0 HE ARG A 12 6.620 -12.437 -1.795 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.321 -14.126 1.024 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.393 -15.273 0.052 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.434 -13.921 -3.031 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.456 -15.157 -2.231 1.00 0.00 H new ATOM 206 N VAL A 13 8.568 -8.286 -3.026 1.00 0.00 N ATOM 207 CA VAL A 13 9.541 -7.961 -4.061 1.00 0.00 C ATOM 208 C VAL A 13 9.868 -6.469 -4.077 1.00 0.00 C ATOM 209 O VAL A 13 11.039 -6.088 -4.092 1.00 0.00 O ATOM 210 CB VAL A 13 9.043 -8.390 -5.457 1.00 0.00 C ATOM 211 CG1 VAL A 13 10.067 -8.050 -6.531 1.00 0.00 C ATOM 212 CG2 VAL A 13 8.728 -9.877 -5.478 1.00 0.00 C ATOM 0 H VAL A 13 7.653 -8.565 -3.379 1.00 0.00 H new ATOM 0 HA VAL A 13 10.448 -8.517 -3.822 1.00 0.00 H new ATOM 0 HB VAL A 13 8.129 -7.837 -5.672 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.691 -8.363 -7.505 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.243 -6.974 -6.539 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.002 -8.569 -6.320 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.378 -10.161 -6.471 1.00 0.00 H new ATOM 0 HG22 VAL A 13 9.627 -10.443 -5.235 1.00 0.00 H new ATOM 0 HG23 VAL A 13 7.952 -10.095 -4.744 1.00 0.00 H new ATOM 222 N HIS A 14 8.841 -5.627 -4.055 1.00 0.00 N ATOM 223 CA HIS A 14 9.040 -4.183 -4.136 1.00 0.00 C ATOM 224 C HIS A 14 9.761 -3.661 -2.896 1.00 0.00 C ATOM 225 O HIS A 14 10.469 -2.658 -2.960 1.00 0.00 O ATOM 226 CB HIS A 14 7.711 -3.446 -4.330 1.00 0.00 C ATOM 227 CG HIS A 14 7.797 -2.344 -5.341 1.00 0.00 C ATOM 228 ND1 HIS A 14 7.128 -2.372 -6.542 1.00 0.00 N ATOM 229 CD2 HIS A 14 8.491 -1.181 -5.329 1.00 0.00 C ATOM 230 CE1 HIS A 14 7.407 -1.279 -7.225 1.00 0.00 C ATOM 231 NE2 HIS A 14 8.235 -0.537 -6.513 1.00 0.00 N ATOM 0 H HIS A 14 7.866 -5.917 -3.982 1.00 0.00 H new ATOM 0 HA HIS A 14 9.665 -3.988 -5.008 1.00 0.00 H new ATOM 0 HB2 HIS A 14 6.948 -4.159 -4.642 1.00 0.00 H new ATOM 0 HB3 HIS A 14 7.389 -3.031 -3.375 1.00 0.00 H new ATOM 0 HD2 HIS A 14 9.129 -0.826 -4.533 1.00 0.00 H new ATOM 0 HE1 HIS A 14 7.022 -1.032 -8.204 1.00 0.00 H new ATOM 0 HE2 HIS A 14 8.620 0.364 -6.796 1.00 0.00 H new ATOM 240 N GLY A 15 9.575 -4.344 -1.770 1.00 0.00 N ATOM 241 CA GLY A 15 10.301 -3.995 -0.563 1.00 0.00 C ATOM 242 C GLY A 15 11.793 -4.182 -0.739 1.00 0.00 C ATOM 243 O GLY A 15 12.591 -3.333 -0.342 1.00 0.00 O ATOM 0 H GLY A 15 8.935 -5.132 -1.673 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.092 -2.958 -0.298 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.951 -4.612 0.265 1.00 0.00 H new ATOM 247 N ALA A 16 12.168 -5.294 -1.356 1.00 0.00 N ATOM 248 CA ALA A 16 13.565 -5.578 -1.643 1.00 0.00 C ATOM 249 C ALA A 16 14.066 -4.696 -2.781 1.00 0.00 C ATOM 250 O ALA A 16 15.248 -4.369 -2.858 1.00 0.00 O ATOM 251 CB ALA A 16 13.734 -7.048 -1.994 1.00 0.00 C ATOM 0 H ALA A 16 11.520 -6.017 -1.668 1.00 0.00 H new ATOM 0 HA ALA A 16 14.158 -5.359 -0.755 1.00 0.00 H new ATOM 0 HB1 ALA A 16 14.783 -7.253 -2.208 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.408 -7.662 -1.155 1.00 0.00 H new ATOM 0 HB3 ALA A 16 13.132 -7.284 -2.872 1.00 0.00 H new ATOM 257 N ASP A 17 13.146 -4.329 -3.661 1.00 0.00 N ATOM 258 CA ASP A 17 13.438 -3.457 -4.797 1.00 0.00 C ATOM 259 C ASP A 17 13.893 -2.086 -4.328 1.00 0.00 C ATOM 260 O ASP A 17 14.773 -1.466 -4.923 1.00 0.00 O ATOM 261 CB ASP A 17 12.184 -3.306 -5.651 1.00 0.00 C ATOM 262 CG ASP A 17 12.410 -2.478 -6.900 1.00 0.00 C ATOM 263 OD1 ASP A 17 12.993 -3.010 -7.866 1.00 0.00 O ATOM 264 OD2 ASP A 17 11.987 -1.300 -6.927 1.00 0.00 O ATOM 0 H ASP A 17 12.172 -4.627 -3.610 1.00 0.00 H new ATOM 0 HA ASP A 17 14.241 -3.907 -5.381 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.826 -4.295 -5.938 1.00 0.00 H new ATOM 0 HB3 ASP A 17 11.398 -2.844 -5.053 1.00 0.00 H new ATOM 269 N ALA A 18 13.274 -1.626 -3.255 1.00 0.00 N ATOM 270 CA ALA A 18 13.584 -0.324 -2.677 1.00 0.00 C ATOM 271 C ALA A 18 14.976 -0.302 -2.051 1.00 0.00 C ATOM 272 O ALA A 18 15.699 0.688 -2.174 1.00 0.00 O ATOM 273 CB ALA A 18 12.534 0.052 -1.645 1.00 0.00 C ATOM 0 H ALA A 18 12.545 -2.139 -2.759 1.00 0.00 H new ATOM 0 HA ALA A 18 13.574 0.410 -3.483 1.00 0.00 H new ATOM 0 HB1 ALA A 18 12.775 1.026 -1.219 1.00 0.00 H new ATOM 0 HB2 ALA A 18 11.555 0.096 -2.122 1.00 0.00 H new ATOM 0 HB3 ALA A 18 12.518 -0.696 -0.853 1.00 0.00 H new ATOM 279 N TYR A 19 15.350 -1.398 -1.399 1.00 0.00 N ATOM 280 CA TYR A 19 16.630 -1.482 -0.700 1.00 0.00 C ATOM 281 C TYR A 19 17.792 -1.513 -1.693 1.00 0.00 C ATOM 282 O TYR A 19 17.617 -1.911 -2.843 1.00 0.00 O ATOM 283 CB TYR A 19 16.656 -2.718 0.207 1.00 0.00 C ATOM 284 CG TYR A 19 15.610 -2.675 1.301 1.00 0.00 C ATOM 285 CD1 TYR A 19 15.180 -1.462 1.833 1.00 0.00 C ATOM 286 CD2 TYR A 19 15.051 -3.842 1.799 1.00 0.00 C ATOM 287 CE1 TYR A 19 14.223 -1.419 2.826 1.00 0.00 C ATOM 288 CE2 TYR A 19 14.094 -3.802 2.794 1.00 0.00 C ATOM 289 CZ TYR A 19 13.682 -2.591 3.301 1.00 0.00 C ATOM 290 OH TYR A 19 12.727 -2.554 4.292 1.00 0.00 O ATOM 0 H TYR A 19 14.783 -2.244 -1.339 1.00 0.00 H new ATOM 0 HA TYR A 19 16.745 -0.593 -0.080 1.00 0.00 H new ATOM 0 HB2 TYR A 19 16.501 -3.610 -0.400 1.00 0.00 H new ATOM 0 HB3 TYR A 19 17.643 -2.808 0.660 1.00 0.00 H new ATOM 0 HD1 TYR A 19 15.603 -0.540 1.462 1.00 0.00 H new ATOM 0 HD2 TYR A 19 15.368 -4.796 1.403 1.00 0.00 H new ATOM 0 HE1 TYR A 19 13.900 -0.470 3.228 1.00 0.00 H new ATOM 0 HE2 TYR A 19 13.670 -4.720 3.174 1.00 0.00 H new ATOM 0 HH TYR A 19 12.861 -3.308 4.904 1.00 0.00 H new ATOM 300 N PRO A 20 19.004 -1.105 -1.271 1.00 0.00 N ATOM 301 CA PRO A 20 19.315 -0.710 0.111 1.00 0.00 C ATOM 302 C PRO A 20 18.801 0.683 0.470 1.00 0.00 C ATOM 303 O PRO A 20 18.957 1.138 1.605 1.00 0.00 O ATOM 304 CB PRO A 20 20.852 -0.732 0.166 1.00 0.00 C ATOM 305 CG PRO A 20 21.306 -1.268 -1.153 1.00 0.00 C ATOM 306 CD PRO A 20 20.191 -1.006 -2.123 1.00 0.00 C ATOM 0 HA PRO A 20 18.834 -1.380 0.824 1.00 0.00 H new ATOM 0 HB2 PRO A 20 21.250 0.268 0.338 1.00 0.00 H new ATOM 0 HB3 PRO A 20 21.204 -1.361 0.984 1.00 0.00 H new ATOM 0 HG2 PRO A 20 22.225 -0.778 -1.476 1.00 0.00 H new ATOM 0 HG3 PRO A 20 21.520 -2.335 -1.086 1.00 0.00 H new ATOM 0 HD2 PRO A 20 20.278 -0.023 -2.586 1.00 0.00 H new ATOM 0 HD3 PRO A 20 20.174 -1.738 -2.930 1.00 0.00 H new ATOM 314 N GLU A 21 18.214 1.367 -0.502 1.00 0.00 N ATOM 315 CA GLU A 21 17.632 2.682 -0.262 1.00 0.00 C ATOM 316 C GLU A 21 16.326 2.548 0.518 1.00 0.00 C ATOM 317 O GLU A 21 15.970 1.457 0.962 1.00 0.00 O ATOM 318 CB GLU A 21 17.373 3.399 -1.585 1.00 0.00 C ATOM 319 CG GLU A 21 18.605 3.530 -2.464 1.00 0.00 C ATOM 320 CD GLU A 21 18.331 4.327 -3.719 1.00 0.00 C ATOM 321 OE1 GLU A 21 17.682 3.792 -4.641 1.00 0.00 O ATOM 322 OE2 GLU A 21 18.770 5.496 -3.792 1.00 0.00 O ATOM 0 H GLU A 21 18.128 1.035 -1.463 1.00 0.00 H new ATOM 0 HA GLU A 21 18.338 3.269 0.325 1.00 0.00 H new ATOM 0 HB2 GLU A 21 16.602 2.859 -2.135 1.00 0.00 H new ATOM 0 HB3 GLU A 21 16.979 4.394 -1.377 1.00 0.00 H new ATOM 0 HG2 GLU A 21 19.403 4.010 -1.898 1.00 0.00 H new ATOM 0 HG3 GLU A 21 18.961 2.537 -2.737 1.00 0.00 H new ATOM 329 N GLU A 22 15.613 3.651 0.689 1.00 0.00 N ATOM 330 CA GLU A 22 14.342 3.621 1.393 1.00 0.00 C ATOM 331 C GLU A 22 13.274 4.404 0.631 1.00 0.00 C ATOM 332 O GLU A 22 13.513 4.872 -0.483 1.00 0.00 O ATOM 333 CB GLU A 22 14.507 4.121 2.838 1.00 0.00 C ATOM 334 CG GLU A 22 15.332 5.393 2.993 1.00 0.00 C ATOM 335 CD GLU A 22 14.567 6.653 2.655 1.00 0.00 C ATOM 336 OE1 GLU A 22 13.547 6.925 3.324 1.00 0.00 O ATOM 337 OE2 GLU A 22 15.001 7.388 1.740 1.00 0.00 O ATOM 0 H GLU A 22 15.891 4.572 0.352 1.00 0.00 H new ATOM 0 HA GLU A 22 14.001 2.587 1.446 1.00 0.00 H new ATOM 0 HB2 GLU A 22 13.517 4.295 3.261 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.972 3.331 3.428 1.00 0.00 H new ATOM 0 HG2 GLU A 22 15.692 5.460 4.020 1.00 0.00 H new ATOM 0 HG3 GLU A 22 16.210 5.327 2.351 1.00 0.00 H new ATOM 344 N GLY A 23 12.099 4.530 1.223 1.00 0.00 N ATOM 345 CA GLY A 23 10.995 5.175 0.543 1.00 0.00 C ATOM 346 C GLY A 23 9.845 4.217 0.322 1.00 0.00 C ATOM 347 O GLY A 23 9.804 3.508 -0.683 1.00 0.00 O ATOM 0 H GLY A 23 11.888 4.197 2.164 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.653 6.027 1.130 1.00 0.00 H new ATOM 0 HA3 GLY A 23 11.335 5.565 -0.416 1.00 0.00 H new ATOM 351 N CYS A 24 8.921 4.194 1.276 1.00 0.00 N ATOM 352 CA CYS A 24 7.763 3.305 1.223 1.00 0.00 C ATOM 353 C CYS A 24 6.686 3.856 0.284 1.00 0.00 C ATOM 354 O CYS A 24 6.959 4.724 -0.544 1.00 0.00 O ATOM 355 CB CYS A 24 7.198 3.108 2.634 1.00 0.00 C ATOM 356 SG CYS A 24 8.368 2.360 3.797 1.00 0.00 S ATOM 0 H CYS A 24 8.952 4.788 2.105 1.00 0.00 H new ATOM 0 HA CYS A 24 8.084 2.341 0.828 1.00 0.00 H new ATOM 0 HB2 CYS A 24 6.880 4.074 3.025 1.00 0.00 H new ATOM 0 HB3 CYS A 24 6.309 2.480 2.574 1.00 0.00 H new ATOM 0 HG CYS A 24 7.992 2.615 5.015 1.00 0.00 H new ATOM 362 N GLY A 25 5.470 3.335 0.394 1.00 0.00 N ATOM 363 CA GLY A 25 4.403 3.773 -0.485 1.00 0.00 C ATOM 364 C GLY A 25 3.029 3.604 0.133 1.00 0.00 C ATOM 365 O GLY A 25 2.908 3.252 1.307 1.00 0.00 O ATOM 0 H GLY A 25 5.205 2.621 1.072 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.556 4.822 -0.740 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.450 3.208 -1.416 1.00 0.00 H new ATOM 369 N PHE A 26 1.997 3.824 -0.671 1.00 0.00 N ATOM 370 CA PHE A 26 0.619 3.760 -0.199 1.00 0.00 C ATOM 371 C PHE A 26 -0.125 2.602 -0.855 1.00 0.00 C ATOM 372 O PHE A 26 0.295 2.094 -1.896 1.00 0.00 O ATOM 373 CB PHE A 26 -0.113 5.072 -0.503 1.00 0.00 C ATOM 374 CG PHE A 26 0.482 6.277 0.166 1.00 0.00 C ATOM 375 CD1 PHE A 26 0.073 6.651 1.435 1.00 0.00 C ATOM 376 CD2 PHE A 26 1.444 7.038 -0.477 1.00 0.00 C ATOM 377 CE1 PHE A 26 0.614 7.761 2.051 1.00 0.00 C ATOM 378 CE2 PHE A 26 1.990 8.151 0.134 1.00 0.00 C ATOM 379 CZ PHE A 26 1.574 8.513 1.401 1.00 0.00 C ATOM 0 H PHE A 26 2.089 4.050 -1.661 1.00 0.00 H new ATOM 0 HA PHE A 26 0.642 3.601 0.879 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.115 5.233 -1.581 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -1.154 4.975 -0.193 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.677 6.068 1.948 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.771 6.758 -1.467 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.287 8.042 3.041 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.740 8.736 -0.377 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.998 9.382 1.882 1.00 0.00 H new ATOM 389 N LEU A 27 -1.233 2.202 -0.249 1.00 0.00 N ATOM 390 CA LEU A 27 -2.060 1.127 -0.782 1.00 0.00 C ATOM 391 C LEU A 27 -3.176 1.712 -1.633 1.00 0.00 C ATOM 392 O LEU A 27 -3.970 2.525 -1.152 1.00 0.00 O ATOM 393 CB LEU A 27 -2.674 0.299 0.350 1.00 0.00 C ATOM 394 CG LEU A 27 -1.681 -0.395 1.280 1.00 0.00 C ATOM 395 CD1 LEU A 27 -2.419 -1.035 2.443 1.00 0.00 C ATOM 396 CD2 LEU A 27 -0.883 -1.444 0.523 1.00 0.00 C ATOM 0 H LEU A 27 -1.583 2.609 0.619 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.428 0.479 -1.389 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.309 0.952 0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.322 -0.459 -0.090 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.987 0.351 1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.703 -1.528 3.101 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.956 -0.267 3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.129 -1.770 2.063 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.181 -1.927 1.202 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.562 -2.191 0.111 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.333 -0.967 -0.288 1.00 0.00 H new ATOM 408 N LEU A 28 -3.242 1.301 -2.887 1.00 0.00 N ATOM 409 CA LEU A 28 -4.263 1.806 -3.789 1.00 0.00 C ATOM 410 C LEU A 28 -5.345 0.759 -3.995 1.00 0.00 C ATOM 411 O LEU A 28 -5.054 -0.409 -4.265 1.00 0.00 O ATOM 412 CB LEU A 28 -3.642 2.188 -5.136 1.00 0.00 C ATOM 413 CG LEU A 28 -2.456 3.156 -5.056 1.00 0.00 C ATOM 414 CD1 LEU A 28 -1.943 3.491 -6.447 1.00 0.00 C ATOM 415 CD2 LEU A 28 -2.843 4.426 -4.313 1.00 0.00 C ATOM 0 H LEU A 28 -2.604 0.622 -3.303 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.710 2.695 -3.344 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.314 1.278 -5.638 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.415 2.636 -5.760 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.656 2.665 -4.501 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.101 4.179 -6.368 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.619 2.577 -6.945 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.740 3.957 -7.026 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.985 5.097 -4.269 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.663 4.918 -4.836 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.158 4.173 -3.301 1.00 0.00 H new ATOM 427 N GLY A 29 -6.590 1.173 -3.867 1.00 0.00 N ATOM 428 CA GLY A 29 -7.686 0.249 -4.025 1.00 0.00 C ATOM 429 C GLY A 29 -9.016 0.896 -3.729 1.00 0.00 C ATOM 430 O GLY A 29 -9.211 2.077 -4.010 1.00 0.00 O ATOM 0 H GLY A 29 -6.862 2.133 -3.656 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -7.690 -0.138 -5.044 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.541 -0.603 -3.361 1.00 0.00 H new ATOM 434 N THR A 30 -9.927 0.126 -3.162 1.00 0.00 N ATOM 435 CA THR A 30 -11.260 0.623 -2.847 1.00 0.00 C ATOM 436 C THR A 30 -11.705 0.181 -1.456 1.00 0.00 C ATOM 437 O THR A 30 -11.270 -0.863 -0.956 1.00 0.00 O ATOM 438 CB THR A 30 -12.291 0.141 -3.888 1.00 0.00 C ATOM 439 OG1 THR A 30 -11.978 -1.200 -4.288 1.00 0.00 O ATOM 440 CG2 THR A 30 -12.313 1.051 -5.105 1.00 0.00 C ATOM 0 H THR A 30 -9.770 -0.849 -2.908 1.00 0.00 H new ATOM 0 HA THR A 30 -11.208 1.711 -2.871 1.00 0.00 H new ATOM 0 HB THR A 30 -13.279 0.168 -3.429 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.634 -1.506 -4.948 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.050 0.685 -5.820 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.577 2.063 -4.798 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.328 1.059 -5.571 1.00 0.00 H new ATOM 448 N VAL A 31 -12.568 0.975 -0.838 1.00 0.00 N ATOM 449 CA VAL A 31 -13.137 0.637 0.457 1.00 0.00 C ATOM 450 C VAL A 31 -14.421 -0.154 0.254 1.00 0.00 C ATOM 451 O VAL A 31 -15.347 0.308 -0.415 1.00 0.00 O ATOM 452 CB VAL A 31 -13.446 1.896 1.294 1.00 0.00 C ATOM 453 CG1 VAL A 31 -13.997 1.515 2.664 1.00 0.00 C ATOM 454 CG2 VAL A 31 -12.204 2.758 1.437 1.00 0.00 C ATOM 0 H VAL A 31 -12.891 1.865 -1.217 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.402 0.042 0.999 1.00 0.00 H new ATOM 0 HB VAL A 31 -14.208 2.474 0.772 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -14.207 2.419 3.236 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -14.916 0.942 2.540 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -13.262 0.911 3.197 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -12.441 3.641 2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.420 2.187 1.934 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -11.859 3.066 0.450 1.00 0.00 H new ATOM 464 N THR A 32 -14.478 -1.347 0.821 1.00 0.00 N ATOM 465 CA THR A 32 -15.613 -2.225 0.600 1.00 0.00 C ATOM 466 C THR A 32 -16.424 -2.467 1.869 1.00 0.00 C ATOM 467 O THR A 32 -15.904 -2.955 2.878 1.00 0.00 O ATOM 468 CB THR A 32 -15.177 -3.575 -0.011 1.00 0.00 C ATOM 469 OG1 THR A 32 -16.249 -4.525 0.051 1.00 0.00 O ATOM 470 CG2 THR A 32 -13.952 -4.142 0.692 1.00 0.00 C ATOM 0 H THR A 32 -13.757 -1.728 1.434 1.00 0.00 H new ATOM 0 HA THR A 32 -16.257 -1.708 -0.112 1.00 0.00 H new ATOM 0 HB THR A 32 -14.917 -3.389 -1.053 1.00 0.00 H new ATOM 0 HG1 THR A 32 -15.957 -5.374 -0.341 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.676 -5.092 0.234 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.123 -3.441 0.600 1.00 0.00 H new ATOM 0 HG23 THR A 32 -14.178 -4.300 1.746 1.00 0.00 H new ATOM 478 N ASP A 33 -17.689 -2.062 1.792 1.00 0.00 N ATOM 479 CA ASP A 33 -18.737 -2.428 2.754 1.00 0.00 C ATOM 480 C ASP A 33 -18.400 -2.052 4.202 1.00 0.00 C ATOM 481 O ASP A 33 -18.772 -0.981 4.680 1.00 0.00 O ATOM 482 CB ASP A 33 -19.027 -3.932 2.643 1.00 0.00 C ATOM 483 CG ASP A 33 -20.184 -4.390 3.507 1.00 0.00 C ATOM 484 OD1 ASP A 33 -21.338 -4.002 3.223 1.00 0.00 O ATOM 485 OD2 ASP A 33 -19.947 -5.162 4.459 1.00 0.00 O ATOM 0 H ASP A 33 -18.026 -1.456 1.044 1.00 0.00 H new ATOM 0 HA ASP A 33 -19.624 -1.850 2.495 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -19.242 -4.177 1.603 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -18.132 -4.488 2.923 1.00 0.00 H new ATOM 490 N ASP A 34 -17.684 -2.933 4.885 1.00 0.00 N ATOM 491 CA ASP A 34 -17.383 -2.760 6.302 1.00 0.00 C ATOM 492 C ASP A 34 -16.103 -1.953 6.504 1.00 0.00 C ATOM 493 O ASP A 34 -15.891 -1.354 7.557 1.00 0.00 O ATOM 494 CB ASP A 34 -17.260 -4.137 6.966 1.00 0.00 C ATOM 495 CG ASP A 34 -16.762 -4.076 8.397 1.00 0.00 C ATOM 496 OD1 ASP A 34 -17.517 -3.611 9.279 1.00 0.00 O ATOM 497 OD2 ASP A 34 -15.622 -4.520 8.646 1.00 0.00 O ATOM 0 H ASP A 34 -17.296 -3.784 4.477 1.00 0.00 H new ATOM 0 HA ASP A 34 -18.197 -2.203 6.766 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -18.233 -4.628 6.949 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -16.581 -4.755 6.379 1.00 0.00 H new ATOM 502 N GLY A 35 -15.273 -1.910 5.477 1.00 0.00 N ATOM 503 CA GLY A 35 -13.978 -1.269 5.605 1.00 0.00 C ATOM 504 C GLY A 35 -12.866 -2.291 5.619 1.00 0.00 C ATOM 505 O GLY A 35 -11.779 -2.041 6.135 1.00 0.00 O ATOM 0 H GLY A 35 -15.469 -2.306 4.557 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -13.828 -0.575 4.778 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -13.948 -0.682 6.523 1.00 0.00 H new ATOM 509 N ASP A 36 -13.164 -3.459 5.062 1.00 0.00 N ATOM 510 CA ASP A 36 -12.189 -4.538 4.928 1.00 0.00 C ATOM 511 C ASP A 36 -11.082 -4.115 3.959 1.00 0.00 C ATOM 512 O ASP A 36 -9.910 -4.434 4.145 1.00 0.00 O ATOM 513 CB ASP A 36 -12.907 -5.797 4.431 1.00 0.00 C ATOM 514 CG ASP A 36 -12.008 -7.008 4.371 1.00 0.00 C ATOM 515 OD1 ASP A 36 -11.784 -7.646 5.419 1.00 0.00 O ATOM 516 OD2 ASP A 36 -11.514 -7.325 3.277 1.00 0.00 O ATOM 0 H ASP A 36 -14.087 -3.686 4.691 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.729 -4.754 5.892 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -13.750 -6.010 5.088 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -13.316 -5.607 3.439 1.00 0.00 H new ATOM 521 N ASN A 37 -11.500 -3.367 2.944 1.00 0.00 N ATOM 522 CA ASN A 37 -10.629 -2.724 1.973 1.00 0.00 C ATOM 523 C ASN A 37 -10.052 -3.699 0.955 1.00 0.00 C ATOM 524 O ASN A 37 -9.514 -4.750 1.296 1.00 0.00 O ATOM 525 CB ASN A 37 -9.520 -1.932 2.654 1.00 0.00 C ATOM 526 CG ASN A 37 -10.046 -0.721 3.402 1.00 0.00 C ATOM 527 OD1 ASN A 37 -11.101 -0.182 3.066 1.00 0.00 O ATOM 528 ND2 ASN A 37 -9.313 -0.271 4.408 1.00 0.00 N ATOM 0 H ASN A 37 -12.489 -3.187 2.771 1.00 0.00 H new ATOM 0 HA ASN A 37 -11.258 -2.027 1.420 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.988 -2.582 3.349 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.798 -1.607 1.905 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -9.617 0.549 4.934 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -8.444 -0.744 4.658 1.00 0.00 H new ATOM 535 N ARG A 38 -10.181 -3.323 -0.309 1.00 0.00 N ATOM 536 CA ARG A 38 -9.701 -4.131 -1.416 1.00 0.00 C ATOM 537 C ARG A 38 -8.532 -3.425 -2.091 1.00 0.00 C ATOM 538 O ARG A 38 -8.723 -2.427 -2.786 1.00 0.00 O ATOM 539 CB ARG A 38 -10.833 -4.358 -2.423 1.00 0.00 C ATOM 540 CG ARG A 38 -10.477 -5.293 -3.570 1.00 0.00 C ATOM 541 CD ARG A 38 -11.568 -5.299 -4.633 1.00 0.00 C ATOM 542 NE ARG A 38 -11.323 -6.289 -5.686 1.00 0.00 N ATOM 543 CZ ARG A 38 -11.194 -5.991 -6.985 1.00 0.00 C ATOM 544 NH1 ARG A 38 -11.232 -4.729 -7.395 1.00 0.00 N ATOM 545 NH2 ARG A 38 -11.034 -6.961 -7.880 1.00 0.00 N ATOM 0 H ARG A 38 -10.622 -2.448 -0.594 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.366 -5.098 -1.041 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -11.696 -4.763 -1.895 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.134 -3.395 -2.836 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.532 -4.983 -4.016 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -10.332 -6.303 -3.188 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -12.529 -5.506 -4.161 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.639 -4.308 -5.081 1.00 0.00 H new ATOM 0 HE ARG A 38 -11.246 -7.268 -5.411 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.360 -3.977 -6.718 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -11.133 -4.512 -8.387 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -11.009 -7.935 -7.578 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.936 -6.731 -8.869 1.00 0.00 H new ATOM 559 N VAL A 39 -7.331 -3.933 -1.873 1.00 0.00 N ATOM 560 CA VAL A 39 -6.131 -3.334 -2.446 1.00 0.00 C ATOM 561 C VAL A 39 -5.714 -4.089 -3.697 1.00 0.00 C ATOM 562 O VAL A 39 -5.371 -5.272 -3.633 1.00 0.00 O ATOM 563 CB VAL A 39 -4.963 -3.318 -1.434 1.00 0.00 C ATOM 564 CG1 VAL A 39 -3.715 -2.707 -2.055 1.00 0.00 C ATOM 565 CG2 VAL A 39 -5.356 -2.553 -0.182 1.00 0.00 C ATOM 0 H VAL A 39 -7.158 -4.761 -1.303 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.369 -2.302 -2.704 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.739 -4.349 -1.159 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.907 -2.707 -1.323 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.417 -3.293 -2.924 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.926 -1.683 -2.363 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.522 -2.551 0.520 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.609 -1.526 -0.447 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -6.219 -3.031 0.281 1.00 0.00 H new ATOM 575 N ALA A 40 -5.763 -3.410 -4.833 1.00 0.00 N ATOM 576 CA ALA A 40 -5.474 -4.053 -6.108 1.00 0.00 C ATOM 577 C ALA A 40 -4.298 -3.396 -6.826 1.00 0.00 C ATOM 578 O ALA A 40 -3.955 -3.780 -7.943 1.00 0.00 O ATOM 579 CB ALA A 40 -6.712 -4.024 -6.989 1.00 0.00 C ATOM 0 H ALA A 40 -5.999 -2.420 -4.900 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.193 -5.086 -5.905 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.492 -4.506 -7.942 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.524 -4.555 -6.493 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.009 -2.990 -7.165 1.00 0.00 H new ATOM 585 N ALA A 41 -3.683 -2.408 -6.191 1.00 0.00 N ATOM 586 CA ALA A 41 -2.557 -1.715 -6.799 1.00 0.00 C ATOM 587 C ALA A 41 -1.575 -1.215 -5.750 1.00 0.00 C ATOM 588 O ALA A 41 -1.971 -0.752 -4.677 1.00 0.00 O ATOM 589 CB ALA A 41 -3.046 -0.557 -7.656 1.00 0.00 C ATOM 0 H ALA A 41 -3.942 -2.071 -5.264 1.00 0.00 H new ATOM 0 HA ALA A 41 -2.033 -2.430 -7.433 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.192 -0.049 -8.103 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.696 -0.937 -8.444 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -3.601 0.146 -7.035 1.00 0.00 H new ATOM 595 N LEU A 42 -0.293 -1.326 -6.063 1.00 0.00 N ATOM 596 CA LEU A 42 0.760 -0.833 -5.187 1.00 0.00 C ATOM 597 C LEU A 42 1.584 0.230 -5.899 1.00 0.00 C ATOM 598 O LEU A 42 1.921 0.079 -7.076 1.00 0.00 O ATOM 599 CB LEU A 42 1.678 -1.978 -4.745 1.00 0.00 C ATOM 600 CG LEU A 42 1.007 -3.090 -3.938 1.00 0.00 C ATOM 601 CD1 LEU A 42 2.008 -4.189 -3.630 1.00 0.00 C ATOM 602 CD2 LEU A 42 0.416 -2.532 -2.651 1.00 0.00 C ATOM 0 H LEU A 42 0.045 -1.756 -6.924 1.00 0.00 H new ATOM 0 HA LEU A 42 0.290 -0.396 -4.306 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.130 -2.420 -5.633 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.489 -1.560 -4.149 1.00 0.00 H new ATOM 0 HG LEU A 42 0.197 -3.512 -4.532 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.519 -4.976 -3.055 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.390 -4.605 -4.562 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.834 -3.777 -3.051 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.058 -3.337 -2.089 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.209 -2.087 -2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.327 -1.772 -2.892 1.00 0.00 H new ATOM 614 N HIS A 43 1.905 1.307 -5.199 1.00 0.00 N ATOM 615 CA HIS A 43 2.726 2.354 -5.779 1.00 0.00 C ATOM 616 C HIS A 43 3.687 2.909 -4.734 1.00 0.00 C ATOM 617 O HIS A 43 3.309 3.152 -3.588 1.00 0.00 O ATOM 618 CB HIS A 43 1.852 3.475 -6.356 1.00 0.00 C ATOM 619 CG HIS A 43 2.579 4.365 -7.321 1.00 0.00 C ATOM 620 ND1 HIS A 43 2.798 4.021 -8.638 1.00 0.00 N ATOM 621 CD2 HIS A 43 3.132 5.590 -7.159 1.00 0.00 C ATOM 622 CE1 HIS A 43 3.458 4.991 -9.241 1.00 0.00 C ATOM 623 NE2 HIS A 43 3.671 5.954 -8.369 1.00 0.00 N ATOM 0 H HIS A 43 1.612 1.477 -4.237 1.00 0.00 H new ATOM 0 HA HIS A 43 3.307 1.924 -6.595 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.993 3.032 -6.859 1.00 0.00 H new ATOM 0 HB3 HIS A 43 1.464 4.081 -5.537 1.00 0.00 H new ATOM 0 HD2 HIS A 43 3.147 6.172 -6.249 1.00 0.00 H new ATOM 0 HE1 HIS A 43 3.771 4.995 -10.275 1.00 0.00 H new ATOM 0 HE2 HIS A 43 4.158 6.830 -8.561 1.00 0.00 H new ATOM 632 N ARG A 44 4.934 3.079 -5.134 1.00 0.00 N ATOM 633 CA ARG A 44 5.955 3.629 -4.260 1.00 0.00 C ATOM 634 C ARG A 44 5.826 5.146 -4.201 1.00 0.00 C ATOM 635 O ARG A 44 5.554 5.788 -5.217 1.00 0.00 O ATOM 636 CB ARG A 44 7.339 3.229 -4.770 1.00 0.00 C ATOM 637 CG ARG A 44 8.476 3.655 -3.862 1.00 0.00 C ATOM 638 CD ARG A 44 9.813 3.202 -4.419 1.00 0.00 C ATOM 639 NE ARG A 44 10.927 3.560 -3.542 1.00 0.00 N ATOM 640 CZ ARG A 44 12.207 3.327 -3.834 1.00 0.00 C ATOM 641 NH1 ARG A 44 12.534 2.713 -4.966 1.00 0.00 N ATOM 642 NH2 ARG A 44 13.160 3.694 -2.988 1.00 0.00 N ATOM 0 H ARG A 44 5.267 2.841 -6.068 1.00 0.00 H new ATOM 0 HA ARG A 44 5.823 3.231 -3.254 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.371 2.146 -4.892 1.00 0.00 H new ATOM 0 HB3 ARG A 44 7.492 3.666 -5.757 1.00 0.00 H new ATOM 0 HG2 ARG A 44 8.472 4.739 -3.752 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.330 3.233 -2.868 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.798 2.121 -4.562 1.00 0.00 H new ATOM 0 HD3 ARG A 44 9.967 3.651 -5.400 1.00 0.00 H new ATOM 0 HE ARG A 44 10.712 4.015 -2.655 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.805 2.418 -5.615 1.00 0.00 H new ATOM 0 HH12 ARG A 44 13.514 2.537 -5.186 1.00 0.00 H new ATOM 0 HH21 ARG A 44 12.914 4.155 -2.112 1.00 0.00 H new ATOM 0 HH22 ARG A 44 14.139 3.515 -3.213 1.00 0.00 H new ATOM 656 N ALA A 45 5.981 5.713 -3.012 1.00 0.00 N ATOM 657 CA ALA A 45 5.883 7.153 -2.841 1.00 0.00 C ATOM 658 C ALA A 45 7.081 7.855 -3.468 1.00 0.00 C ATOM 659 O ALA A 45 8.153 7.939 -2.872 1.00 0.00 O ATOM 660 CB ALA A 45 5.756 7.509 -1.370 1.00 0.00 C ATOM 0 H ALA A 45 6.175 5.197 -2.154 1.00 0.00 H new ATOM 0 HA ALA A 45 4.985 7.498 -3.353 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.684 8.591 -1.262 1.00 0.00 H new ATOM 0 HB2 ALA A 45 4.860 7.043 -0.959 1.00 0.00 H new ATOM 0 HB3 ALA A 45 6.632 7.149 -0.831 1.00 0.00 H new ATOM 962 N ASP A 63 4.765 12.635 -2.377 1.00 0.00 N ATOM 963 CA ASP A 63 4.439 11.249 -2.063 1.00 0.00 C ATOM 964 C ASP A 63 2.980 10.961 -2.370 1.00 0.00 C ATOM 965 O ASP A 63 2.656 10.226 -3.305 1.00 0.00 O ATOM 966 CB ASP A 63 4.685 10.946 -0.580 1.00 0.00 C ATOM 967 CG ASP A 63 6.102 11.216 -0.131 1.00 0.00 C ATOM 968 OD1 ASP A 63 7.012 10.461 -0.520 1.00 0.00 O ATOM 969 OD2 ASP A 63 6.303 12.174 0.645 1.00 0.00 O ATOM 0 HA ASP A 63 5.083 10.620 -2.677 1.00 0.00 H new ATOM 0 HB2 ASP A 63 4.002 11.545 0.022 1.00 0.00 H new ATOM 0 HB3 ASP A 63 4.445 9.900 -0.388 1.00 0.00 H new ATOM 974 N TYR A 64 2.100 11.568 -1.581 1.00 0.00 N ATOM 975 CA TYR A 64 0.675 11.278 -1.647 1.00 0.00 C ATOM 976 C TYR A 64 0.100 11.597 -3.020 1.00 0.00 C ATOM 977 O TYR A 64 -0.542 10.754 -3.632 1.00 0.00 O ATOM 978 CB TYR A 64 -0.080 12.066 -0.572 1.00 0.00 C ATOM 979 CG TYR A 64 -1.571 11.782 -0.541 1.00 0.00 C ATOM 980 CD1 TYR A 64 -2.064 10.620 0.043 1.00 0.00 C ATOM 981 CD2 TYR A 64 -2.482 12.671 -1.103 1.00 0.00 C ATOM 982 CE1 TYR A 64 -3.421 10.356 0.069 1.00 0.00 C ATOM 983 CE2 TYR A 64 -3.840 12.414 -1.078 1.00 0.00 C ATOM 984 CZ TYR A 64 -4.304 11.255 -0.494 1.00 0.00 C ATOM 985 OH TYR A 64 -5.656 10.995 -0.473 1.00 0.00 O ATOM 0 H TYR A 64 2.353 12.269 -0.884 1.00 0.00 H new ATOM 0 HA TYR A 64 0.550 10.210 -1.468 1.00 0.00 H new ATOM 0 HB2 TYR A 64 0.346 11.832 0.404 1.00 0.00 H new ATOM 0 HB3 TYR A 64 0.074 13.132 -0.740 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.376 9.913 0.483 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -2.122 13.577 -1.567 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -3.788 9.450 0.528 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -4.534 13.118 -1.514 1.00 0.00 H new ATOM 0 HH TYR A 64 -6.137 11.729 -0.910 1.00 0.00 H new ATOM 995 N ARG A 65 0.339 12.814 -3.495 1.00 0.00 N ATOM 996 CA ARG A 65 -0.211 13.264 -4.764 1.00 0.00 C ATOM 997 C ARG A 65 0.212 12.377 -5.935 1.00 0.00 C ATOM 998 O ARG A 65 -0.564 12.166 -6.863 1.00 0.00 O ATOM 999 CB ARG A 65 0.175 14.711 -5.013 1.00 0.00 C ATOM 1000 CG ARG A 65 -1.021 15.635 -4.982 1.00 0.00 C ATOM 1001 CD ARG A 65 -1.861 15.471 -6.234 1.00 0.00 C ATOM 1002 NE ARG A 65 -3.213 15.997 -6.080 1.00 0.00 N ATOM 1003 CZ ARG A 65 -4.033 16.216 -7.106 1.00 0.00 C ATOM 1004 NH1 ARG A 65 -3.583 16.137 -8.353 1.00 0.00 N ATOM 1005 NH2 ARG A 65 -5.293 16.554 -6.882 1.00 0.00 N ATOM 0 H ARG A 65 0.913 13.508 -3.016 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.296 13.188 -4.695 1.00 0.00 H new ATOM 0 HB2 ARG A 65 0.896 15.028 -4.259 1.00 0.00 H new ATOM 0 HB3 ARG A 65 0.669 14.792 -5.981 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -1.627 15.423 -4.101 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.686 16.669 -4.897 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.371 15.979 -7.064 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -1.915 14.414 -6.494 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.547 16.208 -5.139 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -2.605 15.908 -8.529 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.216 16.306 -9.135 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -5.634 16.646 -5.925 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -5.923 16.722 -7.666 1.00 0.00 H new ATOM 1019 N ALA A 66 1.430 11.859 -5.893 1.00 0.00 N ATOM 1020 CA ALA A 66 1.907 10.976 -6.953 1.00 0.00 C ATOM 1021 C ALA A 66 1.160 9.646 -6.922 1.00 0.00 C ATOM 1022 O ALA A 66 0.820 9.085 -7.966 1.00 0.00 O ATOM 1023 CB ALA A 66 3.403 10.762 -6.823 1.00 0.00 C ATOM 0 H ALA A 66 2.102 12.031 -5.145 1.00 0.00 H new ATOM 0 HA ALA A 66 1.710 11.448 -7.916 1.00 0.00 H new ATOM 0 HB1 ALA A 66 3.747 10.102 -7.619 1.00 0.00 H new ATOM 0 HB2 ALA A 66 3.916 11.721 -6.900 1.00 0.00 H new ATOM 0 HB3 ALA A 66 3.623 10.309 -5.856 1.00 0.00 H new ATOM 1029 N ALA A 67 0.900 9.148 -5.721 1.00 0.00 N ATOM 1030 CA ALA A 67 0.097 7.945 -5.559 1.00 0.00 C ATOM 1031 C ALA A 67 -1.352 8.235 -5.926 1.00 0.00 C ATOM 1032 O ALA A 67 -2.029 7.400 -6.517 1.00 0.00 O ATOM 1033 CB ALA A 67 0.196 7.424 -4.135 1.00 0.00 C ATOM 0 H ALA A 67 1.232 9.557 -4.848 1.00 0.00 H new ATOM 0 HA ALA A 67 0.480 7.174 -6.228 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.411 6.524 -4.034 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.235 7.188 -3.905 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.165 8.185 -3.443 1.00 0.00 H new ATOM 1039 N ASP A 68 -1.801 9.440 -5.576 1.00 0.00 N ATOM 1040 CA ASP A 68 -3.146 9.914 -5.895 1.00 0.00 C ATOM 1041 C ASP A 68 -3.371 9.935 -7.403 1.00 0.00 C ATOM 1042 O ASP A 68 -4.381 9.434 -7.898 1.00 0.00 O ATOM 1043 CB ASP A 68 -3.349 11.317 -5.319 1.00 0.00 C ATOM 1044 CG ASP A 68 -4.699 11.912 -5.662 1.00 0.00 C ATOM 1045 OD1 ASP A 68 -5.666 11.668 -4.913 1.00 0.00 O ATOM 1046 OD2 ASP A 68 -4.798 12.644 -6.666 1.00 0.00 O ATOM 0 H ASP A 68 -1.239 10.117 -5.061 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.868 9.230 -5.450 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.241 11.277 -4.235 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.564 11.974 -5.693 1.00 0.00 H new ATOM 1051 N ALA A 69 -2.422 10.516 -8.128 1.00 0.00 N ATOM 1052 CA ALA A 69 -2.497 10.580 -9.580 1.00 0.00 C ATOM 1053 C ALA A 69 -2.633 9.184 -10.176 1.00 0.00 C ATOM 1054 O ALA A 69 -3.553 8.915 -10.947 1.00 0.00 O ATOM 1055 CB ALA A 69 -1.272 11.288 -10.142 1.00 0.00 C ATOM 0 H ALA A 69 -1.589 10.951 -7.731 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.383 11.152 -9.854 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.342 11.328 -11.229 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -1.223 12.301 -9.744 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -0.373 10.742 -9.856 1.00 0.00 H new ATOM 1061 N ALA A 70 -1.727 8.291 -9.796 1.00 0.00 N ATOM 1062 CA ALA A 70 -1.765 6.915 -10.277 1.00 0.00 C ATOM 1063 C ALA A 70 -3.068 6.229 -9.866 1.00 0.00 C ATOM 1064 O ALA A 70 -3.663 5.485 -10.649 1.00 0.00 O ATOM 1065 CB ALA A 70 -0.562 6.141 -9.756 1.00 0.00 C ATOM 0 H ALA A 70 -0.958 8.494 -9.157 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.723 6.931 -11.366 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.603 5.115 -10.123 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.355 6.615 -10.106 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.576 6.138 -8.666 1.00 0.00 H new ATOM 1071 N ALA A 71 -3.517 6.496 -8.646 1.00 0.00 N ATOM 1072 CA ALA A 71 -4.761 5.922 -8.149 1.00 0.00 C ATOM 1073 C ALA A 71 -5.932 6.337 -9.027 1.00 0.00 C ATOM 1074 O ALA A 71 -6.709 5.493 -9.472 1.00 0.00 O ATOM 1075 CB ALA A 71 -5.001 6.337 -6.706 1.00 0.00 C ATOM 0 H ALA A 71 -3.039 7.106 -7.983 1.00 0.00 H new ATOM 0 HA ALA A 71 -4.675 4.836 -8.185 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -5.934 5.899 -6.352 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -4.177 5.986 -6.085 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -5.064 7.423 -6.646 1.00 0.00 H new ATOM 1081 N GLN A 72 -6.034 7.633 -9.297 1.00 0.00 N ATOM 1082 CA GLN A 72 -7.101 8.161 -10.133 1.00 0.00 C ATOM 1083 C GLN A 72 -7.000 7.625 -11.557 1.00 0.00 C ATOM 1084 O GLN A 72 -8.016 7.424 -12.225 1.00 0.00 O ATOM 1085 CB GLN A 72 -7.070 9.688 -10.141 1.00 0.00 C ATOM 1086 CG GLN A 72 -8.324 10.316 -9.552 1.00 0.00 C ATOM 1087 CD GLN A 72 -8.547 9.942 -8.097 1.00 0.00 C ATOM 1088 OE1 GLN A 72 -7.600 9.722 -7.346 1.00 0.00 O ATOM 1089 NE2 GLN A 72 -9.805 9.846 -7.701 1.00 0.00 N ATOM 0 H GLN A 72 -5.387 8.339 -8.946 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.050 7.831 -9.711 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -6.201 10.030 -9.578 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -6.944 10.037 -11.166 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.255 11.401 -9.636 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -9.189 10.005 -10.138 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -10.562 10.037 -8.357 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -10.018 9.581 -6.739 1.00 0.00 H new ATOM 1098 N GLU A 73 -5.772 7.407 -12.019 1.00 0.00 N ATOM 1099 CA GLU A 73 -5.533 6.810 -13.317 1.00 0.00 C ATOM 1100 C GLU A 73 -6.119 5.411 -13.420 1.00 0.00 C ATOM 1101 O GLU A 73 -6.736 5.062 -14.426 1.00 0.00 O ATOM 1102 CB GLU A 73 -4.044 6.790 -13.579 1.00 0.00 C ATOM 1103 CG GLU A 73 -3.523 8.164 -13.909 1.00 0.00 C ATOM 1104 CD GLU A 73 -4.160 8.728 -15.160 1.00 0.00 C ATOM 1105 OE1 GLU A 73 -3.776 8.301 -16.272 1.00 0.00 O ATOM 1106 OE2 GLU A 73 -5.064 9.585 -15.037 1.00 0.00 O ATOM 0 H GLU A 73 -4.923 7.640 -11.503 1.00 0.00 H new ATOM 0 HA GLU A 73 -6.035 7.413 -14.074 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -3.524 6.404 -12.702 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.828 6.110 -14.403 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -3.714 8.835 -13.071 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.442 8.119 -14.041 1.00 0.00 H new ATOM 1113 N GLN A 74 -5.931 4.622 -12.379 1.00 0.00 N ATOM 1114 CA GLN A 74 -6.485 3.277 -12.340 1.00 0.00 C ATOM 1115 C GLN A 74 -7.981 3.305 -12.035 1.00 0.00 C ATOM 1116 O GLN A 74 -8.751 2.521 -12.590 1.00 0.00 O ATOM 1117 CB GLN A 74 -5.752 2.414 -11.308 1.00 0.00 C ATOM 1118 CG GLN A 74 -4.514 1.716 -11.857 1.00 0.00 C ATOM 1119 CD GLN A 74 -3.393 2.668 -12.224 1.00 0.00 C ATOM 1120 OE1 GLN A 74 -3.328 3.169 -13.346 1.00 0.00 O ATOM 1121 NE2 GLN A 74 -2.484 2.899 -11.291 1.00 0.00 N ATOM 0 H GLN A 74 -5.400 4.886 -11.549 1.00 0.00 H new ATOM 0 HA GLN A 74 -6.345 2.835 -13.326 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -5.460 3.041 -10.465 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -6.440 1.662 -10.922 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -4.148 1.006 -11.115 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -4.793 1.140 -12.739 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -2.574 2.464 -10.373 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -1.693 3.512 -11.490 1.00 0.00 H new ATOM 1130 N GLY A 75 -8.384 4.221 -11.164 1.00 0.00 N ATOM 1131 CA GLY A 75 -9.776 4.313 -10.762 1.00 0.00 C ATOM 1132 C GLY A 75 -9.966 3.905 -9.315 1.00 0.00 C ATOM 1133 O GLY A 75 -11.028 3.416 -8.924 1.00 0.00 O ATOM 0 H GLY A 75 -7.768 4.906 -10.726 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -10.129 5.335 -10.902 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.384 3.675 -11.404 1.00 0.00 H new ATOM 1137 N LEU A 76 -8.924 4.105 -8.521 1.00 0.00 N ATOM 1138 CA LEU A 76 -8.917 3.706 -7.126 1.00 0.00 C ATOM 1139 C LEU A 76 -8.539 4.898 -6.254 1.00 0.00 C ATOM 1140 O LEU A 76 -8.277 5.985 -6.770 1.00 0.00 O ATOM 1141 CB LEU A 76 -7.904 2.574 -6.928 1.00 0.00 C ATOM 1142 CG LEU A 76 -8.115 1.344 -7.816 1.00 0.00 C ATOM 1143 CD1 LEU A 76 -6.959 0.369 -7.664 1.00 0.00 C ATOM 1144 CD2 LEU A 76 -9.428 0.656 -7.483 1.00 0.00 C ATOM 0 H LEU A 76 -8.059 4.550 -8.829 1.00 0.00 H new ATOM 0 HA LEU A 76 -9.909 3.357 -6.840 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.904 2.967 -7.112 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -7.936 2.259 -5.885 1.00 0.00 H new ATOM 0 HG LEU A 76 -8.154 1.680 -8.852 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -7.128 -0.498 -8.303 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.030 0.859 -7.955 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.890 0.046 -6.625 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.556 -0.215 -8.126 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -9.418 0.338 -6.440 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -10.253 1.350 -7.643 1.00 0.00 H new ATOM 1156 N ASP A 77 -8.511 4.699 -4.942 1.00 0.00 N ATOM 1157 CA ASP A 77 -8.035 5.728 -4.027 1.00 0.00 C ATOM 1158 C ASP A 77 -7.106 5.109 -2.992 1.00 0.00 C ATOM 1159 O ASP A 77 -6.925 3.887 -2.959 1.00 0.00 O ATOM 1160 CB ASP A 77 -9.199 6.464 -3.344 1.00 0.00 C ATOM 1161 CG ASP A 77 -10.020 5.589 -2.411 1.00 0.00 C ATOM 1162 OD1 ASP A 77 -10.935 4.892 -2.893 1.00 0.00 O ATOM 1163 OD2 ASP A 77 -9.779 5.629 -1.183 1.00 0.00 O ATOM 0 H ASP A 77 -8.812 3.836 -4.489 1.00 0.00 H new ATOM 0 HA ASP A 77 -7.482 6.468 -4.606 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -8.801 7.307 -2.779 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.855 6.876 -4.111 1.00 0.00 H new ATOM 1168 N VAL A 78 -6.501 5.953 -2.169 1.00 0.00 N ATOM 1169 CA VAL A 78 -5.574 5.487 -1.150 1.00 0.00 C ATOM 1170 C VAL A 78 -6.344 4.933 0.041 1.00 0.00 C ATOM 1171 O VAL A 78 -6.939 5.684 0.814 1.00 0.00 O ATOM 1172 CB VAL A 78 -4.626 6.615 -0.683 1.00 0.00 C ATOM 1173 CG1 VAL A 78 -3.614 6.085 0.319 1.00 0.00 C ATOM 1174 CG2 VAL A 78 -3.922 7.252 -1.872 1.00 0.00 C ATOM 0 H VAL A 78 -6.636 6.964 -2.187 1.00 0.00 H new ATOM 0 HA VAL A 78 -4.965 4.698 -1.591 1.00 0.00 H new ATOM 0 HB VAL A 78 -5.224 7.381 -0.190 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -2.956 6.895 0.635 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.137 5.683 1.187 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.021 5.296 -0.145 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -3.260 8.043 -1.521 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.338 6.496 -2.397 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.663 7.674 -2.551 1.00 0.00 H new ATOM 1184 N VAL A 79 -6.346 3.617 0.171 1.00 0.00 N ATOM 1185 CA VAL A 79 -7.106 2.953 1.224 1.00 0.00 C ATOM 1186 C VAL A 79 -6.209 2.538 2.381 1.00 0.00 C ATOM 1187 O VAL A 79 -6.676 2.004 3.387 1.00 0.00 O ATOM 1188 CB VAL A 79 -7.853 1.711 0.689 1.00 0.00 C ATOM 1189 CG1 VAL A 79 -8.899 2.125 -0.334 1.00 0.00 C ATOM 1190 CG2 VAL A 79 -6.882 0.708 0.081 1.00 0.00 C ATOM 0 H VAL A 79 -5.830 2.984 -0.439 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.837 3.677 1.583 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.354 1.228 1.528 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -9.418 1.240 -0.703 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -9.618 2.799 0.133 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.413 2.633 -1.166 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.435 -0.156 -0.288 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.346 1.175 -0.745 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.169 0.386 0.840 1.00 0.00 H new ATOM 1200 N GLY A 80 -4.919 2.782 2.243 1.00 0.00 N ATOM 1201 CA GLY A 80 -4.001 2.430 3.298 1.00 0.00 C ATOM 1202 C GLY A 80 -2.576 2.784 2.964 1.00 0.00 C ATOM 1203 O GLY A 80 -2.309 3.426 1.946 1.00 0.00 O ATOM 0 H GLY A 80 -4.493 3.215 1.424 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.294 2.941 4.215 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -4.070 1.360 3.493 1.00 0.00 H new ATOM 1207 N VAL A 81 -1.661 2.365 3.822 1.00 0.00 N ATOM 1208 CA VAL A 81 -0.242 2.629 3.634 1.00 0.00 C ATOM 1209 C VAL A 81 0.548 1.377 3.987 1.00 0.00 C ATOM 1210 O VAL A 81 0.073 0.537 4.752 1.00 0.00 O ATOM 1211 CB VAL A 81 0.264 3.793 4.525 1.00 0.00 C ATOM 1212 CG1 VAL A 81 1.590 4.338 4.010 1.00 0.00 C ATOM 1213 CG2 VAL A 81 -0.764 4.909 4.631 1.00 0.00 C ATOM 0 H VAL A 81 -1.878 1.834 4.666 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.098 2.911 2.591 1.00 0.00 H new ATOM 0 HB VAL A 81 0.420 3.389 5.525 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.923 5.153 4.653 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.337 3.544 4.016 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.461 4.708 2.993 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.372 5.706 5.263 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.975 5.305 3.638 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.682 4.517 5.068 1.00 0.00 H new ATOM 1223 N TYR A 82 1.743 1.247 3.443 1.00 0.00 N ATOM 1224 CA TYR A 82 2.602 0.126 3.787 1.00 0.00 C ATOM 1225 C TYR A 82 4.004 0.617 4.110 1.00 0.00 C ATOM 1226 O TYR A 82 4.535 1.503 3.437 1.00 0.00 O ATOM 1227 CB TYR A 82 2.629 -0.943 2.677 1.00 0.00 C ATOM 1228 CG TYR A 82 3.169 -0.484 1.337 1.00 0.00 C ATOM 1229 CD1 TYR A 82 4.530 -0.521 1.062 1.00 0.00 C ATOM 1230 CD2 TYR A 82 2.312 -0.033 0.341 1.00 0.00 C ATOM 1231 CE1 TYR A 82 5.021 -0.116 -0.163 1.00 0.00 C ATOM 1232 CE2 TYR A 82 2.794 0.370 -0.888 1.00 0.00 C ATOM 1233 CZ TYR A 82 4.147 0.328 -1.135 1.00 0.00 C ATOM 1234 OH TYR A 82 4.629 0.734 -2.358 1.00 0.00 O ATOM 0 H TYR A 82 2.141 1.898 2.766 1.00 0.00 H new ATOM 0 HA TYR A 82 2.186 -0.352 4.674 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.231 -1.784 3.022 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.615 -1.315 2.531 1.00 0.00 H new ATOM 0 HD1 TYR A 82 5.215 -0.872 1.819 1.00 0.00 H new ATOM 0 HD2 TYR A 82 1.250 0.003 0.532 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.082 -0.146 -0.360 1.00 0.00 H new ATOM 0 HE2 TYR A 82 2.113 0.716 -1.651 1.00 0.00 H new ATOM 0 HH TYR A 82 4.109 1.502 -2.676 1.00 0.00 H new ATOM 1244 N HIS A 83 4.585 0.062 5.158 1.00 0.00 N ATOM 1245 CA HIS A 83 5.930 0.430 5.572 1.00 0.00 C ATOM 1246 C HIS A 83 6.772 -0.815 5.790 1.00 0.00 C ATOM 1247 O HIS A 83 6.336 -1.772 6.431 1.00 0.00 O ATOM 1248 CB HIS A 83 5.911 1.272 6.856 1.00 0.00 C ATOM 1249 CG HIS A 83 5.487 2.694 6.651 1.00 0.00 C ATOM 1250 ND1 HIS A 83 6.377 3.747 6.594 1.00 0.00 N ATOM 1251 CD2 HIS A 83 4.256 3.242 6.502 1.00 0.00 C ATOM 1252 CE1 HIS A 83 5.716 4.874 6.418 1.00 0.00 C ATOM 1253 NE2 HIS A 83 4.430 4.596 6.357 1.00 0.00 N ATOM 0 H HIS A 83 4.145 -0.649 5.742 1.00 0.00 H new ATOM 0 HA HIS A 83 6.368 1.031 4.775 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.238 0.804 7.574 1.00 0.00 H new ATOM 0 HB3 HIS A 83 6.907 1.262 7.299 1.00 0.00 H new ATOM 0 HD2 HIS A 83 3.315 2.713 6.498 1.00 0.00 H new ATOM 0 HE1 HIS A 83 6.154 5.858 6.338 1.00 0.00 H new ATOM 0 HE2 HIS A 83 3.683 5.278 6.223 1.00 0.00 H new ATOM 1262 N SER A 84 7.968 -0.804 5.242 1.00 0.00 N ATOM 1263 CA SER A 84 8.886 -1.909 5.404 1.00 0.00 C ATOM 1264 C SER A 84 10.008 -1.521 6.355 1.00 0.00 C ATOM 1265 O SER A 84 10.474 -0.379 6.342 1.00 0.00 O ATOM 1266 CB SER A 84 9.458 -2.315 4.045 1.00 0.00 C ATOM 1267 OG SER A 84 10.042 -1.204 3.387 1.00 0.00 O ATOM 0 H SER A 84 8.329 -0.036 4.676 1.00 0.00 H new ATOM 0 HA SER A 84 8.349 -2.758 5.827 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.206 -3.096 4.180 1.00 0.00 H new ATOM 0 HB3 SER A 84 8.667 -2.735 3.424 1.00 0.00 H new ATOM 0 HG SER A 84 11.018 -1.252 3.467 1.00 0.00 H new ATOM 1273 N HIS A 85 10.425 -2.450 7.200 1.00 0.00 N ATOM 1274 CA HIS A 85 11.562 -2.199 8.067 1.00 0.00 C ATOM 1275 C HIS A 85 12.801 -2.834 7.449 1.00 0.00 C ATOM 1276 O HIS A 85 12.724 -3.921 6.876 1.00 0.00 O ATOM 1277 CB HIS A 85 11.324 -2.776 9.473 1.00 0.00 C ATOM 1278 CG HIS A 85 10.123 -2.227 10.192 1.00 0.00 C ATOM 1279 ND1 HIS A 85 9.418 -2.950 11.134 1.00 0.00 N ATOM 1280 CD2 HIS A 85 9.517 -1.015 10.123 1.00 0.00 C ATOM 1281 CE1 HIS A 85 8.433 -2.209 11.611 1.00 0.00 C ATOM 1282 NE2 HIS A 85 8.470 -1.032 11.014 1.00 0.00 N ATOM 0 H HIS A 85 10.000 -3.371 7.303 1.00 0.00 H new ATOM 0 HA HIS A 85 11.701 -1.122 8.166 1.00 0.00 H new ATOM 0 HB2 HIS A 85 11.217 -3.858 9.392 1.00 0.00 H new ATOM 0 HB3 HIS A 85 12.209 -2.588 10.081 1.00 0.00 H new ATOM 0 HD1 HIS A 85 9.625 -3.908 11.418 1.00 0.00 H new ATOM 0 HD2 HIS A 85 9.804 -0.191 9.487 1.00 0.00 H new ATOM 0 HE1 HIS A 85 7.719 -2.514 12.362 1.00 0.00 H new ATOM 1291 N PRO A 86 13.953 -2.153 7.520 1.00 0.00 N ATOM 1292 CA PRO A 86 15.221 -2.679 7.038 1.00 0.00 C ATOM 1293 C PRO A 86 16.133 -3.175 8.154 1.00 0.00 C ATOM 1294 O PRO A 86 17.206 -3.721 7.899 1.00 0.00 O ATOM 1295 CB PRO A 86 15.823 -1.447 6.370 1.00 0.00 C ATOM 1296 CG PRO A 86 15.288 -0.274 7.145 1.00 0.00 C ATOM 1297 CD PRO A 86 14.111 -0.766 7.966 1.00 0.00 C ATOM 0 HA PRO A 86 15.096 -3.549 6.393 1.00 0.00 H new ATOM 0 HB2 PRO A 86 16.912 -1.475 6.401 1.00 0.00 H new ATOM 0 HB3 PRO A 86 15.536 -1.389 5.320 1.00 0.00 H new ATOM 0 HG2 PRO A 86 16.060 0.141 7.793 1.00 0.00 H new ATOM 0 HG3 PRO A 86 14.977 0.522 6.469 1.00 0.00 H new ATOM 0 HD2 PRO A 86 14.312 -0.707 9.036 1.00 0.00 H new ATOM 0 HD3 PRO A 86 13.213 -0.177 7.778 1.00 0.00 H new ATOM 1305 N ASP A 87 15.695 -2.985 9.384 1.00 0.00 N ATOM 1306 CA ASP A 87 16.526 -3.266 10.548 1.00 0.00 C ATOM 1307 C ASP A 87 15.793 -4.153 11.542 1.00 0.00 C ATOM 1308 O ASP A 87 16.187 -5.294 11.778 1.00 0.00 O ATOM 1309 CB ASP A 87 16.944 -1.953 11.216 1.00 0.00 C ATOM 1310 CG ASP A 87 17.699 -2.159 12.514 1.00 0.00 C ATOM 1311 OD1 ASP A 87 18.928 -2.369 12.467 1.00 0.00 O ATOM 1312 OD2 ASP A 87 17.065 -2.099 13.589 1.00 0.00 O ATOM 0 H ASP A 87 14.763 -2.635 9.608 1.00 0.00 H new ATOM 0 HA ASP A 87 17.416 -3.799 10.215 1.00 0.00 H new ATOM 0 HB2 ASP A 87 17.568 -1.384 10.526 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.055 -1.353 11.411 1.00 0.00 H new ATOM 1317 N HIS A 88 14.728 -3.623 12.121 1.00 0.00 N ATOM 1318 CA HIS A 88 13.925 -4.374 13.075 1.00 0.00 C ATOM 1319 C HIS A 88 12.902 -5.238 12.341 1.00 0.00 C ATOM 1320 O HIS A 88 12.558 -4.951 11.196 1.00 0.00 O ATOM 1321 CB HIS A 88 13.244 -3.426 14.062 1.00 0.00 C ATOM 1322 CG HIS A 88 14.008 -3.254 15.341 1.00 0.00 C ATOM 1323 ND1 HIS A 88 15.227 -2.617 15.423 1.00 0.00 N ATOM 1324 CD2 HIS A 88 13.717 -3.659 16.599 1.00 0.00 C ATOM 1325 CE1 HIS A 88 15.649 -2.633 16.673 1.00 0.00 C ATOM 1326 NE2 HIS A 88 14.750 -3.258 17.406 1.00 0.00 N ATOM 0 H HIS A 88 14.398 -2.674 11.947 1.00 0.00 H new ATOM 0 HA HIS A 88 14.579 -5.035 13.644 1.00 0.00 H new ATOM 0 HB2 HIS A 88 13.115 -2.452 13.590 1.00 0.00 H new ATOM 0 HB3 HIS A 88 12.247 -3.804 14.290 1.00 0.00 H new ATOM 0 HD1 HIS A 88 15.726 -2.198 14.638 1.00 0.00 H new ATOM 0 HD2 HIS A 88 12.834 -4.198 16.910 1.00 0.00 H new ATOM 0 HE1 HIS A 88 16.573 -2.207 17.034 1.00 0.00 H new ATOM 1335 N PRO A 89 12.411 -6.303 12.995 1.00 0.00 N ATOM 1336 CA PRO A 89 11.533 -7.300 12.364 1.00 0.00 C ATOM 1337 C PRO A 89 10.129 -6.782 12.047 1.00 0.00 C ATOM 1338 O PRO A 89 9.873 -5.571 12.023 1.00 0.00 O ATOM 1339 CB PRO A 89 11.465 -8.417 13.408 1.00 0.00 C ATOM 1340 CG PRO A 89 11.715 -7.737 14.706 1.00 0.00 C ATOM 1341 CD PRO A 89 12.680 -6.628 14.407 1.00 0.00 C ATOM 0 HA PRO A 89 11.925 -7.607 11.394 1.00 0.00 H new ATOM 0 HB2 PRO A 89 10.492 -8.908 13.399 1.00 0.00 H new ATOM 0 HB3 PRO A 89 12.212 -9.186 13.214 1.00 0.00 H new ATOM 0 HG2 PRO A 89 10.789 -7.346 15.128 1.00 0.00 H new ATOM 0 HG3 PRO A 89 12.131 -8.430 15.437 1.00 0.00 H new ATOM 0 HD2 PRO A 89 12.514 -5.767 15.055 1.00 0.00 H new ATOM 0 HD3 PRO A 89 13.712 -6.944 14.556 1.00 0.00 H new ATOM 1349 N ALA A 90 9.225 -7.724 11.790 1.00 0.00 N ATOM 1350 CA ALA A 90 7.851 -7.412 11.428 1.00 0.00 C ATOM 1351 C ALA A 90 7.067 -6.842 12.610 1.00 0.00 C ATOM 1352 O ALA A 90 7.621 -6.623 13.692 1.00 0.00 O ATOM 1353 CB ALA A 90 7.163 -8.657 10.886 1.00 0.00 C ATOM 0 H ALA A 90 9.427 -8.723 11.828 1.00 0.00 H new ATOM 0 HA ALA A 90 7.875 -6.645 10.654 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.135 -8.416 10.617 1.00 0.00 H new ATOM 0 HB2 ALA A 90 7.695 -9.012 10.004 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.166 -9.435 11.649 1.00 0.00 H new ATOM 1359 N ARG A 91 5.762 -6.651 12.393 1.00 0.00 N ATOM 1360 CA ARG A 91 4.871 -5.986 13.341 1.00 0.00 C ATOM 1361 C ARG A 91 5.234 -4.507 13.505 1.00 0.00 C ATOM 1362 O ARG A 91 6.403 -4.124 13.437 1.00 0.00 O ATOM 1363 CB ARG A 91 4.855 -6.686 14.705 1.00 0.00 C ATOM 1364 CG ARG A 91 4.126 -8.025 14.721 1.00 0.00 C ATOM 1365 CD ARG A 91 4.994 -9.159 14.202 1.00 0.00 C ATOM 1366 NE ARG A 91 6.132 -9.417 15.083 1.00 0.00 N ATOM 1367 CZ ARG A 91 6.315 -10.558 15.747 1.00 0.00 C ATOM 1368 NH1 ARG A 91 5.445 -11.553 15.614 1.00 0.00 N ATOM 1369 NH2 ARG A 91 7.368 -10.695 16.544 1.00 0.00 N ATOM 0 H ARG A 91 5.291 -6.959 11.542 1.00 0.00 H new ATOM 0 HA ARG A 91 3.866 -6.051 12.923 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.883 -6.843 15.031 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.387 -6.024 15.434 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.807 -8.251 15.739 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.224 -7.953 14.113 1.00 0.00 H new ATOM 0 HD2 ARG A 91 4.393 -10.064 14.109 1.00 0.00 H new ATOM 0 HD3 ARG A 91 5.355 -8.913 13.204 1.00 0.00 H new ATOM 0 HE ARG A 91 6.828 -8.680 15.196 1.00 0.00 H new ATOM 0 HH11 ARG A 91 4.636 -11.444 15.003 1.00 0.00 H new ATOM 0 HH12 ARG A 91 5.586 -12.426 16.123 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.033 -9.929 16.646 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.512 -11.567 17.054 1.00 0.00 H new ATOM 1383 N PRO A 92 4.219 -3.650 13.691 1.00 0.00 N ATOM 1384 CA PRO A 92 4.423 -2.207 13.847 1.00 0.00 C ATOM 1385 C PRO A 92 5.028 -1.853 15.199 1.00 0.00 C ATOM 1386 O PRO A 92 4.641 -2.403 16.231 1.00 0.00 O ATOM 1387 CB PRO A 92 3.013 -1.631 13.722 1.00 0.00 C ATOM 1388 CG PRO A 92 2.108 -2.735 14.148 1.00 0.00 C ATOM 1389 CD PRO A 92 2.791 -4.017 13.759 1.00 0.00 C ATOM 0 HA PRO A 92 5.123 -1.812 13.110 1.00 0.00 H new ATOM 0 HB2 PRO A 92 2.888 -0.752 14.354 1.00 0.00 H new ATOM 0 HB3 PRO A 92 2.803 -1.320 12.699 1.00 0.00 H new ATOM 0 HG2 PRO A 92 1.931 -2.700 15.223 1.00 0.00 H new ATOM 0 HG3 PRO A 92 1.136 -2.650 13.662 1.00 0.00 H new ATOM 0 HD2 PRO A 92 2.615 -4.803 14.494 1.00 0.00 H new ATOM 0 HD3 PRO A 92 2.428 -4.389 12.801 1.00 0.00 H new ATOM 1397 N SER A 93 5.981 -0.940 15.188 1.00 0.00 N ATOM 1398 CA SER A 93 6.620 -0.498 16.410 1.00 0.00 C ATOM 1399 C SER A 93 5.873 0.704 16.984 1.00 0.00 C ATOM 1400 O SER A 93 4.860 1.143 16.424 1.00 0.00 O ATOM 1401 CB SER A 93 8.080 -0.126 16.129 1.00 0.00 C ATOM 1402 OG SER A 93 8.164 0.939 15.193 1.00 0.00 O ATOM 0 H SER A 93 6.330 -0.489 14.342 1.00 0.00 H new ATOM 0 HA SER A 93 6.595 -1.308 17.139 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.571 0.163 17.059 1.00 0.00 H new ATOM 0 HB3 SER A 93 8.613 -0.996 15.744 1.00 0.00 H new ATOM 0 HG SER A 93 8.028 0.590 14.287 1.00 0.00 H new ATOM 1408 N ALA A 94 6.369 1.236 18.093 1.00 0.00 N ATOM 1409 CA ALA A 94 5.812 2.451 18.670 1.00 0.00 C ATOM 1410 C ALA A 94 5.868 3.593 17.659 1.00 0.00 C ATOM 1411 O ALA A 94 4.916 4.358 17.520 1.00 0.00 O ATOM 1412 CB ALA A 94 6.558 2.823 19.946 1.00 0.00 C ATOM 0 H ALA A 94 7.156 0.845 18.611 1.00 0.00 H new ATOM 0 HA ALA A 94 4.768 2.270 18.925 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.130 3.733 20.365 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.468 2.013 20.670 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.611 2.989 19.717 1.00 0.00 H new ATOM 1418 N THR A 95 6.979 3.678 16.932 1.00 0.00 N ATOM 1419 CA THR A 95 7.167 4.711 15.922 1.00 0.00 C ATOM 1420 C THR A 95 6.161 4.547 14.781 1.00 0.00 C ATOM 1421 O THR A 95 5.684 5.532 14.216 1.00 0.00 O ATOM 1422 CB THR A 95 8.599 4.654 15.360 1.00 0.00 C ATOM 1423 OG1 THR A 95 9.535 4.455 16.433 1.00 0.00 O ATOM 1424 CG2 THR A 95 8.949 5.937 14.618 1.00 0.00 C ATOM 0 H THR A 95 7.767 3.038 17.026 1.00 0.00 H new ATOM 0 HA THR A 95 7.004 5.679 16.396 1.00 0.00 H new ATOM 0 HB THR A 95 8.654 3.821 14.659 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.445 4.418 16.071 1.00 0.00 H new ATOM 0 HG21 THR A 95 9.966 5.868 14.232 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.255 6.079 13.789 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.877 6.784 15.301 1.00 0.00 H new ATOM 1432 N ASP A 96 5.830 3.299 14.459 1.00 0.00 N ATOM 1433 CA ASP A 96 4.831 3.017 13.432 1.00 0.00 C ATOM 1434 C ASP A 96 3.458 3.482 13.904 1.00 0.00 C ATOM 1435 O ASP A 96 2.678 4.039 13.133 1.00 0.00 O ATOM 1436 CB ASP A 96 4.780 1.523 13.093 1.00 0.00 C ATOM 1437 CG ASP A 96 6.013 1.030 12.358 1.00 0.00 C ATOM 1438 OD1 ASP A 96 6.125 1.278 11.141 1.00 0.00 O ATOM 1439 OD2 ASP A 96 6.871 0.377 12.994 1.00 0.00 O ATOM 0 H ASP A 96 6.237 2.470 14.892 1.00 0.00 H new ATOM 0 HA ASP A 96 5.115 3.560 12.530 1.00 0.00 H new ATOM 0 HB2 ASP A 96 4.663 0.953 14.014 1.00 0.00 H new ATOM 0 HB3 ASP A 96 3.899 1.326 12.482 1.00 0.00 H new ATOM 1444 N LEU A 97 3.176 3.252 15.183 1.00 0.00 N ATOM 1445 CA LEU A 97 1.938 3.718 15.799 1.00 0.00 C ATOM 1446 C LEU A 97 1.889 5.246 15.761 1.00 0.00 C ATOM 1447 O LEU A 97 0.843 5.842 15.491 1.00 0.00 O ATOM 1448 CB LEU A 97 1.856 3.192 17.245 1.00 0.00 C ATOM 1449 CG LEU A 97 0.529 3.400 17.998 1.00 0.00 C ATOM 1450 CD1 LEU A 97 0.380 4.830 18.492 1.00 0.00 C ATOM 1451 CD2 LEU A 97 -0.657 3.016 17.128 1.00 0.00 C ATOM 0 H LEU A 97 3.792 2.743 15.816 1.00 0.00 H new ATOM 0 HA LEU A 97 1.079 3.337 15.246 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.070 2.123 17.228 1.00 0.00 H new ATOM 0 HB3 LEU A 97 2.649 3.667 17.822 1.00 0.00 H new ATOM 0 HG LEU A 97 0.548 2.746 18.869 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.569 4.936 19.018 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.200 5.068 19.170 1.00 0.00 H new ATOM 0 HD13 LEU A 97 0.402 5.513 17.642 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.582 3.172 17.684 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.665 3.634 16.230 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -0.576 1.966 16.846 1.00 0.00 H new ATOM 1463 N GLU A 98 3.031 5.867 16.025 1.00 0.00 N ATOM 1464 CA GLU A 98 3.158 7.322 15.979 1.00 0.00 C ATOM 1465 C GLU A 98 2.771 7.876 14.609 1.00 0.00 C ATOM 1466 O GLU A 98 2.111 8.913 14.512 1.00 0.00 O ATOM 1467 CB GLU A 98 4.594 7.735 16.306 1.00 0.00 C ATOM 1468 CG GLU A 98 5.025 7.412 17.724 1.00 0.00 C ATOM 1469 CD GLU A 98 6.394 7.965 18.038 1.00 0.00 C ATOM 1470 OE1 GLU A 98 7.382 7.501 17.441 1.00 0.00 O ATOM 1471 OE2 GLU A 98 6.488 8.883 18.879 1.00 0.00 O ATOM 0 H GLU A 98 3.892 5.382 16.276 1.00 0.00 H new ATOM 0 HA GLU A 98 2.476 7.736 16.722 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.271 7.239 15.610 1.00 0.00 H new ATOM 0 HB3 GLU A 98 4.698 8.807 16.142 1.00 0.00 H new ATOM 0 HG2 GLU A 98 4.299 7.822 18.426 1.00 0.00 H new ATOM 0 HG3 GLU A 98 5.030 6.331 17.864 1.00 0.00 H new ATOM 1478 N GLU A 99 3.172 7.173 13.557 1.00 0.00 N ATOM 1479 CA GLU A 99 2.888 7.599 12.191 1.00 0.00 C ATOM 1480 C GLU A 99 1.445 7.294 11.803 1.00 0.00 C ATOM 1481 O GLU A 99 0.912 7.869 10.850 1.00 0.00 O ATOM 1482 CB GLU A 99 3.844 6.911 11.214 1.00 0.00 C ATOM 1483 CG GLU A 99 5.255 7.474 11.232 1.00 0.00 C ATOM 1484 CD GLU A 99 5.309 8.911 10.754 1.00 0.00 C ATOM 1485 OE1 GLU A 99 4.862 9.181 9.619 1.00 0.00 O ATOM 1486 OE2 GLU A 99 5.805 9.780 11.504 1.00 0.00 O ATOM 0 H GLU A 99 3.697 6.301 13.624 1.00 0.00 H new ATOM 0 HA GLU A 99 3.033 8.678 12.141 1.00 0.00 H new ATOM 0 HB2 GLU A 99 3.885 5.848 11.450 1.00 0.00 H new ATOM 0 HB3 GLU A 99 3.441 6.999 10.205 1.00 0.00 H new ATOM 0 HG2 GLU A 99 5.654 7.415 12.245 1.00 0.00 H new ATOM 0 HG3 GLU A 99 5.897 6.859 10.601 1.00 0.00 H new ATOM 1493 N ALA A 100 0.812 6.398 12.547 1.00 0.00 N ATOM 1494 CA ALA A 100 -0.550 5.985 12.250 1.00 0.00 C ATOM 1495 C ALA A 100 -1.560 6.996 12.774 1.00 0.00 C ATOM 1496 O ALA A 100 -1.962 6.950 13.938 1.00 0.00 O ATOM 1497 CB ALA A 100 -0.827 4.611 12.833 1.00 0.00 C ATOM 0 H ALA A 100 1.222 5.943 13.362 1.00 0.00 H new ATOM 0 HA ALA A 100 -0.655 5.935 11.166 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -1.851 4.317 12.601 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -0.135 3.887 12.402 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -0.694 4.641 13.914 1.00 0.00 H new ATOM 1503 N THR A 101 -1.953 7.922 11.918 1.00 0.00 N ATOM 1504 CA THR A 101 -2.939 8.925 12.281 1.00 0.00 C ATOM 1505 C THR A 101 -4.113 8.886 11.298 1.00 0.00 C ATOM 1506 O THR A 101 -4.905 9.823 11.197 1.00 0.00 O ATOM 1507 CB THR A 101 -2.303 10.329 12.308 1.00 0.00 C ATOM 1508 OG1 THR A 101 -0.991 10.252 12.889 1.00 0.00 O ATOM 1509 CG2 THR A 101 -3.149 11.298 13.124 1.00 0.00 C ATOM 0 H THR A 101 -1.603 8.001 10.963 1.00 0.00 H new ATOM 0 HA THR A 101 -3.311 8.702 13.281 1.00 0.00 H new ATOM 0 HB THR A 101 -2.242 10.694 11.283 1.00 0.00 H new ATOM 0 HG1 THR A 101 -0.587 11.145 12.904 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.677 12.280 13.126 1.00 0.00 H new ATOM 0 HG22 THR A 101 -4.143 11.374 12.683 1.00 0.00 H new ATOM 0 HG23 THR A 101 -3.234 10.934 14.148 1.00 0.00 H new ATOM 1517 N PHE A 102 -4.222 7.772 10.584 1.00 0.00 N ATOM 1518 CA PHE A 102 -5.310 7.563 9.639 1.00 0.00 C ATOM 1519 C PHE A 102 -6.153 6.367 10.072 1.00 0.00 C ATOM 1520 O PHE A 102 -5.896 5.234 9.664 1.00 0.00 O ATOM 1521 CB PHE A 102 -4.767 7.347 8.225 1.00 0.00 C ATOM 1522 CG PHE A 102 -3.979 8.509 7.690 1.00 0.00 C ATOM 1523 CD1 PHE A 102 -4.627 9.620 7.172 1.00 0.00 C ATOM 1524 CD2 PHE A 102 -2.594 8.491 7.701 1.00 0.00 C ATOM 1525 CE1 PHE A 102 -3.908 10.688 6.672 1.00 0.00 C ATOM 1526 CE2 PHE A 102 -1.869 9.556 7.202 1.00 0.00 C ATOM 1527 CZ PHE A 102 -2.527 10.656 6.689 1.00 0.00 C ATOM 0 H PHE A 102 -3.564 6.995 10.643 1.00 0.00 H new ATOM 0 HA PHE A 102 -5.937 8.455 9.629 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -4.134 6.459 8.221 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -5.601 7.147 7.553 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -5.706 9.651 7.159 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -2.075 7.634 8.104 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -4.424 11.546 6.269 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -0.789 9.528 7.213 1.00 0.00 H new ATOM 0 HZ PHE A 102 -1.962 11.491 6.301 1.00 0.00 H new ATOM 1537 N PRO A 103 -7.157 6.602 10.937 1.00 0.00 N ATOM 1538 CA PRO A 103 -7.971 5.530 11.532 1.00 0.00 C ATOM 1539 C PRO A 103 -8.859 4.809 10.521 1.00 0.00 C ATOM 1540 O PRO A 103 -9.530 3.833 10.859 1.00 0.00 O ATOM 1541 CB PRO A 103 -8.837 6.257 12.568 1.00 0.00 C ATOM 1542 CG PRO A 103 -8.227 7.609 12.725 1.00 0.00 C ATOM 1543 CD PRO A 103 -7.585 7.925 11.407 1.00 0.00 C ATOM 0 HA PRO A 103 -7.336 4.749 11.950 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -9.871 6.331 12.232 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -8.848 5.720 13.516 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -8.983 8.352 12.979 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -7.491 7.615 13.529 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -8.286 8.394 10.716 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.743 8.608 11.519 1.00 0.00 H new ATOM 1551 N GLY A 104 -8.876 5.297 9.290 1.00 0.00 N ATOM 1552 CA GLY A 104 -9.665 4.664 8.253 1.00 0.00 C ATOM 1553 C GLY A 104 -8.799 4.074 7.158 1.00 0.00 C ATOM 1554 O GLY A 104 -9.266 3.843 6.042 1.00 0.00 O ATOM 0 H GLY A 104 -8.356 6.122 8.990 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -10.278 3.877 8.693 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -10.348 5.395 7.820 1.00 0.00 H new ATOM 1558 N PHE A 105 -7.532 3.845 7.473 1.00 0.00 N ATOM 1559 CA PHE A 105 -6.585 3.292 6.511 1.00 0.00 C ATOM 1560 C PHE A 105 -6.021 1.967 7.012 1.00 0.00 C ATOM 1561 O PHE A 105 -5.894 1.753 8.218 1.00 0.00 O ATOM 1562 CB PHE A 105 -5.435 4.278 6.261 1.00 0.00 C ATOM 1563 CG PHE A 105 -5.783 5.440 5.362 1.00 0.00 C ATOM 1564 CD1 PHE A 105 -6.816 6.309 5.677 1.00 0.00 C ATOM 1565 CD2 PHE A 105 -5.056 5.670 4.206 1.00 0.00 C ATOM 1566 CE1 PHE A 105 -7.122 7.378 4.853 1.00 0.00 C ATOM 1567 CE2 PHE A 105 -5.359 6.735 3.377 1.00 0.00 C ATOM 1568 CZ PHE A 105 -6.391 7.592 3.702 1.00 0.00 C ATOM 0 H PHE A 105 -7.133 4.034 8.392 1.00 0.00 H new ATOM 0 HA PHE A 105 -7.117 3.119 5.576 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -5.094 4.668 7.220 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -4.598 3.735 5.822 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -7.390 6.150 6.578 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -4.242 5.009 3.948 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -7.932 8.044 5.110 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -4.788 6.896 2.475 1.00 0.00 H new ATOM 0 HZ PHE A 105 -6.626 8.427 3.058 1.00 0.00 H new ATOM 1578 N THR A 106 -5.688 1.086 6.084 1.00 0.00 N ATOM 1579 CA THR A 106 -5.082 -0.188 6.428 1.00 0.00 C ATOM 1580 C THR A 106 -3.562 -0.063 6.390 1.00 0.00 C ATOM 1581 O THR A 106 -2.999 0.443 5.420 1.00 0.00 O ATOM 1582 CB THR A 106 -5.539 -1.301 5.458 1.00 0.00 C ATOM 1583 OG1 THR A 106 -6.973 -1.360 5.418 1.00 0.00 O ATOM 1584 CG2 THR A 106 -4.993 -2.657 5.878 1.00 0.00 C ATOM 0 H THR A 106 -5.828 1.231 5.084 1.00 0.00 H new ATOM 0 HA THR A 106 -5.402 -0.458 7.434 1.00 0.00 H new ATOM 0 HB THR A 106 -5.150 -1.061 4.468 1.00 0.00 H new ATOM 0 HG1 THR A 106 -7.343 -0.822 6.149 1.00 0.00 H new ATOM 0 HG21 THR A 106 -5.332 -3.419 5.176 1.00 0.00 H new ATOM 0 HG22 THR A 106 -3.903 -2.625 5.881 1.00 0.00 H new ATOM 0 HG23 THR A 106 -5.352 -2.900 6.878 1.00 0.00 H new ATOM 1592 N TYR A 107 -2.902 -0.498 7.451 1.00 0.00 N ATOM 1593 CA TYR A 107 -1.455 -0.387 7.542 1.00 0.00 C ATOM 1594 C TYR A 107 -0.790 -1.737 7.338 1.00 0.00 C ATOM 1595 O TYR A 107 -0.953 -2.653 8.142 1.00 0.00 O ATOM 1596 CB TYR A 107 -1.045 0.199 8.894 1.00 0.00 C ATOM 1597 CG TYR A 107 -1.377 1.665 9.051 1.00 0.00 C ATOM 1598 CD1 TYR A 107 -0.475 2.641 8.650 1.00 0.00 C ATOM 1599 CD2 TYR A 107 -2.587 2.076 9.603 1.00 0.00 C ATOM 1600 CE1 TYR A 107 -0.765 3.984 8.793 1.00 0.00 C ATOM 1601 CE2 TYR A 107 -2.884 3.418 9.749 1.00 0.00 C ATOM 1602 CZ TYR A 107 -1.970 4.367 9.344 1.00 0.00 C ATOM 1603 OH TYR A 107 -2.258 5.705 9.483 1.00 0.00 O ATOM 0 H TYR A 107 -3.345 -0.931 8.261 1.00 0.00 H new ATOM 0 HA TYR A 107 -1.122 0.284 6.750 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -1.539 -0.362 9.687 1.00 0.00 H new ATOM 0 HB3 TYR A 107 0.028 0.063 9.028 1.00 0.00 H new ATOM 0 HD1 TYR A 107 0.470 2.345 8.219 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -3.305 1.335 9.922 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -0.052 4.730 8.475 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -3.827 3.722 10.178 1.00 0.00 H new ATOM 0 HH TYR A 107 -1.458 6.234 9.282 1.00 0.00 H new ATOM 1613 N VAL A 108 -0.048 -1.859 6.255 1.00 0.00 N ATOM 1614 CA VAL A 108 0.691 -3.078 5.975 1.00 0.00 C ATOM 1615 C VAL A 108 2.131 -2.939 6.451 1.00 0.00 C ATOM 1616 O VAL A 108 2.861 -2.046 6.017 1.00 0.00 O ATOM 1617 CB VAL A 108 0.673 -3.433 4.471 1.00 0.00 C ATOM 1618 CG1 VAL A 108 1.526 -4.666 4.191 1.00 0.00 C ATOM 1619 CG2 VAL A 108 -0.754 -3.657 3.994 1.00 0.00 C ATOM 0 H VAL A 108 0.060 -1.128 5.552 1.00 0.00 H new ATOM 0 HA VAL A 108 0.200 -3.887 6.515 1.00 0.00 H new ATOM 0 HB VAL A 108 1.098 -2.593 3.920 1.00 0.00 H new ATOM 0 HG11 VAL A 108 1.496 -4.895 3.126 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.556 -4.472 4.492 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.136 -5.514 4.755 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.748 -3.906 2.933 1.00 0.00 H new ATOM 0 HG22 VAL A 108 -1.201 -4.477 4.557 1.00 0.00 H new ATOM 0 HG23 VAL A 108 -1.337 -2.749 4.150 1.00 0.00 H new ATOM 1629 N ILE A 109 2.527 -3.814 7.353 1.00 0.00 N ATOM 1630 CA ILE A 109 3.880 -3.804 7.873 1.00 0.00 C ATOM 1631 C ILE A 109 4.630 -5.029 7.372 1.00 0.00 C ATOM 1632 O ILE A 109 4.240 -6.166 7.644 1.00 0.00 O ATOM 1633 CB ILE A 109 3.900 -3.783 9.419 1.00 0.00 C ATOM 1634 CG1 ILE A 109 3.179 -2.541 9.957 1.00 0.00 C ATOM 1635 CG2 ILE A 109 5.330 -3.841 9.942 1.00 0.00 C ATOM 1636 CD1 ILE A 109 3.790 -1.237 9.496 1.00 0.00 C ATOM 0 H ILE A 109 1.929 -4.543 7.742 1.00 0.00 H new ATOM 0 HA ILE A 109 4.366 -2.895 7.518 1.00 0.00 H new ATOM 0 HB ILE A 109 3.370 -4.666 9.775 1.00 0.00 H new ATOM 0 HG12 ILE A 109 2.135 -2.574 9.645 1.00 0.00 H new ATOM 0 HG13 ILE A 109 3.187 -2.571 11.047 1.00 0.00 H new ATOM 0 HG21 ILE A 109 5.320 -3.825 11.032 1.00 0.00 H new ATOM 0 HG22 ILE A 109 5.807 -4.759 9.597 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.888 -2.981 9.572 1.00 0.00 H new ATOM 0 HD11 ILE A 109 3.228 -0.403 9.916 1.00 0.00 H new ATOM 0 HD12 ILE A 109 4.826 -1.182 9.831 1.00 0.00 H new ATOM 0 HD13 ILE A 109 3.758 -1.185 8.408 1.00 0.00 H new ATOM 1648 N VAL A 110 5.694 -4.790 6.628 1.00 0.00 N ATOM 1649 CA VAL A 110 6.484 -5.868 6.064 1.00 0.00 C ATOM 1650 C VAL A 110 7.940 -5.749 6.475 1.00 0.00 C ATOM 1651 O VAL A 110 8.536 -4.672 6.429 1.00 0.00 O ATOM 1652 CB VAL A 110 6.361 -5.916 4.518 1.00 0.00 C ATOM 1653 CG1 VAL A 110 6.611 -4.545 3.903 1.00 0.00 C ATOM 1654 CG2 VAL A 110 7.305 -6.951 3.922 1.00 0.00 C ATOM 0 H VAL A 110 6.032 -3.855 6.400 1.00 0.00 H new ATOM 0 HA VAL A 110 6.088 -6.802 6.462 1.00 0.00 H new ATOM 0 HB VAL A 110 5.340 -6.213 4.280 1.00 0.00 H new ATOM 0 HG11 VAL A 110 6.518 -4.610 2.819 1.00 0.00 H new ATOM 0 HG12 VAL A 110 5.879 -3.835 4.288 1.00 0.00 H new ATOM 0 HG13 VAL A 110 7.615 -4.208 4.161 1.00 0.00 H new ATOM 0 HG21 VAL A 110 7.196 -6.961 2.838 1.00 0.00 H new ATOM 0 HG22 VAL A 110 8.333 -6.698 4.181 1.00 0.00 H new ATOM 0 HG23 VAL A 110 7.063 -7.936 4.320 1.00 0.00 H new ATOM 1664 N SER A 111 8.493 -6.856 6.917 1.00 0.00 N ATOM 1665 CA SER A 111 9.889 -6.914 7.271 1.00 0.00 C ATOM 1666 C SER A 111 10.674 -7.527 6.124 1.00 0.00 C ATOM 1667 O SER A 111 10.558 -8.722 5.850 1.00 0.00 O ATOM 1668 CB SER A 111 10.072 -7.737 8.543 1.00 0.00 C ATOM 1669 OG SER A 111 11.405 -7.658 9.020 1.00 0.00 O ATOM 0 H SER A 111 7.990 -7.735 7.040 1.00 0.00 H new ATOM 0 HA SER A 111 10.260 -5.906 7.458 1.00 0.00 H new ATOM 0 HB2 SER A 111 9.387 -7.380 9.312 1.00 0.00 H new ATOM 0 HB3 SER A 111 9.815 -8.778 8.346 1.00 0.00 H new ATOM 0 HG SER A 111 11.662 -8.517 9.415 1.00 0.00 H new ATOM 1675 N VAL A 112 11.437 -6.709 5.424 1.00 0.00 N ATOM 1676 CA VAL A 112 12.284 -7.210 4.361 1.00 0.00 C ATOM 1677 C VAL A 112 13.733 -7.140 4.808 1.00 0.00 C ATOM 1678 O VAL A 112 14.274 -6.058 5.027 1.00 0.00 O ATOM 1679 CB VAL A 112 12.104 -6.422 3.047 1.00 0.00 C ATOM 1680 CG1 VAL A 112 12.903 -7.067 1.925 1.00 0.00 C ATOM 1681 CG2 VAL A 112 10.634 -6.323 2.669 1.00 0.00 C ATOM 0 H VAL A 112 11.487 -5.701 5.572 1.00 0.00 H new ATOM 0 HA VAL A 112 11.995 -8.241 4.159 1.00 0.00 H new ATOM 0 HB VAL A 112 12.481 -5.411 3.203 1.00 0.00 H new ATOM 0 HG11 VAL A 112 12.764 -6.498 1.006 1.00 0.00 H new ATOM 0 HG12 VAL A 112 13.960 -7.076 2.190 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.558 -8.090 1.774 1.00 0.00 H new ATOM 0 HG21 VAL A 112 10.534 -5.763 1.739 1.00 0.00 H new ATOM 0 HG22 VAL A 112 10.225 -7.324 2.535 1.00 0.00 H new ATOM 0 HG23 VAL A 112 10.088 -5.811 3.461 1.00 0.00 H new ATOM 1691 N ARG A 113 14.360 -8.292 4.927 1.00 0.00 N ATOM 1692 CA ARG A 113 15.696 -8.371 5.479 1.00 0.00 C ATOM 1693 C ARG A 113 16.706 -8.337 4.341 1.00 0.00 C ATOM 1694 O ARG A 113 17.450 -9.289 4.120 1.00 0.00 O ATOM 1695 CB ARG A 113 15.826 -9.643 6.327 1.00 0.00 C ATOM 1696 CG ARG A 113 17.018 -9.652 7.268 1.00 0.00 C ATOM 1697 CD ARG A 113 16.885 -10.740 8.321 1.00 0.00 C ATOM 1698 NE ARG A 113 15.746 -10.508 9.213 1.00 0.00 N ATOM 1699 CZ ARG A 113 15.824 -10.531 10.545 1.00 0.00 C ATOM 1700 NH1 ARG A 113 16.978 -10.810 11.142 1.00 0.00 N ATOM 1701 NH2 ARG A 113 14.744 -10.300 11.280 1.00 0.00 N ATOM 0 H ARG A 113 13.964 -9.189 4.648 1.00 0.00 H new ATOM 0 HA ARG A 113 15.893 -7.520 6.131 1.00 0.00 H new ATOM 0 HB2 ARG A 113 14.915 -9.769 6.913 1.00 0.00 H new ATOM 0 HB3 ARG A 113 15.898 -10.503 5.661 1.00 0.00 H new ATOM 0 HG2 ARG A 113 17.933 -9.806 6.697 1.00 0.00 H new ATOM 0 HG3 ARG A 113 17.106 -8.681 7.755 1.00 0.00 H new ATOM 0 HD2 ARG A 113 16.770 -11.706 7.830 1.00 0.00 H new ATOM 0 HD3 ARG A 113 17.801 -10.789 8.909 1.00 0.00 H new ATOM 0 HE ARG A 113 14.838 -10.317 8.790 1.00 0.00 H new ATOM 0 HH11 ARG A 113 17.807 -11.007 10.582 1.00 0.00 H new ATOM 0 HH12 ARG A 113 17.034 -10.827 12.160 1.00 0.00 H new ATOM 0 HH21 ARG A 113 13.851 -10.104 10.827 1.00 0.00 H new ATOM 0 HH22 ARG A 113 14.806 -10.318 12.298 1.00 0.00 H new ATOM 1715 N ASP A 114 16.677 -7.225 3.603 1.00 0.00 N ATOM 1716 CA ASP A 114 17.525 -7.020 2.427 1.00 0.00 C ATOM 1717 C ASP A 114 17.351 -8.152 1.418 1.00 0.00 C ATOM 1718 O ASP A 114 18.110 -9.118 1.405 1.00 0.00 O ATOM 1719 CB ASP A 114 18.996 -6.876 2.822 1.00 0.00 C ATOM 1720 CG ASP A 114 19.890 -6.639 1.619 1.00 0.00 C ATOM 1721 OD1 ASP A 114 19.754 -5.581 0.973 1.00 0.00 O ATOM 1722 OD2 ASP A 114 20.726 -7.511 1.306 1.00 0.00 O ATOM 0 H ASP A 114 16.061 -6.437 3.806 1.00 0.00 H new ATOM 0 HA ASP A 114 17.208 -6.090 1.954 1.00 0.00 H new ATOM 0 HB2 ASP A 114 19.103 -6.047 3.522 1.00 0.00 H new ATOM 0 HB3 ASP A 114 19.321 -7.777 3.343 1.00 0.00 H new ATOM 1727 N GLY A 115 16.310 -8.054 0.606 1.00 0.00 N ATOM 1728 CA GLY A 115 16.057 -9.067 -0.402 1.00 0.00 C ATOM 1729 C GLY A 115 15.252 -10.236 0.134 1.00 0.00 C ATOM 1730 O GLY A 115 14.483 -10.862 -0.599 1.00 0.00 O ATOM 0 H GLY A 115 15.634 -7.291 0.625 1.00 0.00 H new ATOM 0 HA2 GLY A 115 15.523 -8.616 -1.239 1.00 0.00 H new ATOM 0 HA3 GLY A 115 17.007 -9.433 -0.790 1.00 0.00 H new ATOM 1734 N ALA A 116 15.424 -10.533 1.416 1.00 0.00 N ATOM 1735 CA ALA A 116 14.734 -11.653 2.034 1.00 0.00 C ATOM 1736 C ALA A 116 13.538 -11.186 2.852 1.00 0.00 C ATOM 1737 O ALA A 116 13.694 -10.613 3.925 1.00 0.00 O ATOM 1738 CB ALA A 116 15.694 -12.449 2.902 1.00 0.00 C ATOM 0 H ALA A 116 16.035 -10.013 2.046 1.00 0.00 H new ATOM 0 HA ALA A 116 14.360 -12.297 1.238 1.00 0.00 H new ATOM 0 HB1 ALA A 116 15.164 -13.285 3.359 1.00 0.00 H new ATOM 0 HB2 ALA A 116 16.510 -12.829 2.288 1.00 0.00 H new ATOM 0 HB3 ALA A 116 16.098 -11.805 3.683 1.00 0.00 H new ATOM 1744 N PRO A 117 12.324 -11.406 2.342 1.00 0.00 N ATOM 1745 CA PRO A 117 11.095 -11.045 3.046 1.00 0.00 C ATOM 1746 C PRO A 117 10.860 -11.931 4.267 1.00 0.00 C ATOM 1747 O PRO A 117 10.573 -13.121 4.142 1.00 0.00 O ATOM 1748 CB PRO A 117 9.992 -11.261 1.998 1.00 0.00 C ATOM 1749 CG PRO A 117 10.707 -11.426 0.697 1.00 0.00 C ATOM 1750 CD PRO A 117 12.039 -12.014 1.040 1.00 0.00 C ATOM 0 HA PRO A 117 11.127 -10.025 3.429 1.00 0.00 H new ATOM 0 HB2 PRO A 117 9.395 -12.142 2.232 1.00 0.00 H new ATOM 0 HB3 PRO A 117 9.309 -10.412 1.966 1.00 0.00 H new ATOM 0 HG2 PRO A 117 10.151 -12.080 0.025 1.00 0.00 H new ATOM 0 HG3 PRO A 117 10.821 -10.469 0.188 1.00 0.00 H new ATOM 0 HD2 PRO A 117 12.000 -13.102 1.099 1.00 0.00 H new ATOM 0 HD3 PRO A 117 12.798 -11.762 0.299 1.00 0.00 H new ATOM 1758 N GLU A 118 11.001 -11.337 5.442 1.00 0.00 N ATOM 1759 CA GLU A 118 10.804 -12.045 6.697 1.00 0.00 C ATOM 1760 C GLU A 118 9.326 -12.364 6.887 1.00 0.00 C ATOM 1761 O GLU A 118 8.905 -13.516 6.798 1.00 0.00 O ATOM 1762 CB GLU A 118 11.309 -11.174 7.849 1.00 0.00 C ATOM 1763 CG GLU A 118 11.134 -11.790 9.227 1.00 0.00 C ATOM 1764 CD GLU A 118 11.361 -10.779 10.327 1.00 0.00 C ATOM 1765 OE1 GLU A 118 12.346 -10.016 10.239 1.00 0.00 O ATOM 1766 OE2 GLU A 118 10.540 -10.718 11.266 1.00 0.00 O ATOM 0 H GLU A 118 11.254 -10.355 5.552 1.00 0.00 H new ATOM 0 HA GLU A 118 11.362 -12.981 6.681 1.00 0.00 H new ATOM 0 HB2 GLU A 118 12.366 -10.962 7.691 1.00 0.00 H new ATOM 0 HB3 GLU A 118 10.785 -10.219 7.823 1.00 0.00 H new ATOM 0 HG2 GLU A 118 10.129 -12.204 9.315 1.00 0.00 H new ATOM 0 HG3 GLU A 118 11.832 -12.619 9.346 1.00 0.00 H new ATOM 1773 N ALA A 119 8.541 -11.328 7.127 1.00 0.00 N ATOM 1774 CA ALA A 119 7.115 -11.484 7.320 1.00 0.00 C ATOM 1775 C ALA A 119 6.389 -10.208 6.941 1.00 0.00 C ATOM 1776 O ALA A 119 6.807 -9.108 7.317 1.00 0.00 O ATOM 1777 CB ALA A 119 6.811 -11.860 8.761 1.00 0.00 C ATOM 0 H ALA A 119 8.872 -10.366 7.193 1.00 0.00 H new ATOM 0 HA ALA A 119 6.764 -12.288 6.673 1.00 0.00 H new ATOM 0 HB1 ALA A 119 5.734 -11.973 8.888 1.00 0.00 H new ATOM 0 HB2 ALA A 119 7.306 -12.800 9.004 1.00 0.00 H new ATOM 0 HB3 ALA A 119 7.174 -11.076 9.426 1.00 0.00 H new ATOM 1783 N LEU A 120 5.329 -10.353 6.169 1.00 0.00 N ATOM 1784 CA LEU A 120 4.477 -9.228 5.836 1.00 0.00 C ATOM 1785 C LEU A 120 3.067 -9.495 6.334 1.00 0.00 C ATOM 1786 O LEU A 120 2.582 -10.626 6.279 1.00 0.00 O ATOM 1787 CB LEU A 120 4.511 -8.892 4.320 1.00 0.00 C ATOM 1788 CG LEU A 120 3.859 -9.868 3.307 1.00 0.00 C ATOM 1789 CD1 LEU A 120 4.273 -11.314 3.539 1.00 0.00 C ATOM 1790 CD2 LEU A 120 2.342 -9.728 3.289 1.00 0.00 C ATOM 0 H LEU A 120 5.037 -11.241 5.760 1.00 0.00 H new ATOM 0 HA LEU A 120 4.861 -8.342 6.341 1.00 0.00 H new ATOM 0 HB2 LEU A 120 4.035 -7.920 4.190 1.00 0.00 H new ATOM 0 HB3 LEU A 120 5.556 -8.775 4.035 1.00 0.00 H new ATOM 0 HG LEU A 120 4.234 -9.585 2.324 1.00 0.00 H new ATOM 0 HD11 LEU A 120 3.788 -11.954 2.802 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.355 -11.403 3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 120 3.973 -11.622 4.541 1.00 0.00 H new ATOM 0 HD21 LEU A 120 1.921 -10.428 2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 120 1.945 -9.946 4.280 1.00 0.00 H new ATOM 0 HD23 LEU A 120 2.074 -8.710 3.006 1.00 0.00 H new ATOM 1802 N THR A 121 2.435 -8.471 6.868 1.00 0.00 N ATOM 1803 CA THR A 121 1.085 -8.599 7.380 1.00 0.00 C ATOM 1804 C THR A 121 0.351 -7.278 7.236 1.00 0.00 C ATOM 1805 O THR A 121 0.977 -6.218 7.171 1.00 0.00 O ATOM 1806 CB THR A 121 1.086 -9.001 8.865 1.00 0.00 C ATOM 1807 OG1 THR A 121 2.087 -9.993 9.100 1.00 0.00 O ATOM 1808 CG2 THR A 121 -0.265 -9.553 9.281 1.00 0.00 C ATOM 0 H THR A 121 2.835 -7.537 6.959 1.00 0.00 H new ATOM 0 HA THR A 121 0.585 -9.377 6.803 1.00 0.00 H new ATOM 0 HB THR A 121 1.299 -8.109 9.454 1.00 0.00 H new ATOM 0 HG1 THR A 121 2.083 -10.243 10.047 1.00 0.00 H new ATOM 0 HG21 THR A 121 -0.236 -9.829 10.335 1.00 0.00 H new ATOM 0 HG22 THR A 121 -1.032 -8.794 9.126 1.00 0.00 H new ATOM 0 HG23 THR A 121 -0.499 -10.433 8.682 1.00 0.00 H new ATOM 1816 N ALA A 122 -0.962 -7.347 7.204 1.00 0.00 N ATOM 1817 CA ALA A 122 -1.780 -6.157 7.138 1.00 0.00 C ATOM 1818 C ALA A 122 -2.491 -5.964 8.457 1.00 0.00 C ATOM 1819 O ALA A 122 -3.046 -6.907 9.024 1.00 0.00 O ATOM 1820 CB ALA A 122 -2.774 -6.252 5.994 1.00 0.00 C ATOM 0 H ALA A 122 -1.488 -8.221 7.223 1.00 0.00 H new ATOM 0 HA ALA A 122 -1.143 -5.293 6.950 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -3.380 -5.346 5.962 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -2.236 -6.362 5.053 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -3.421 -7.116 6.145 1.00 0.00 H new ATOM 1826 N TRP A 123 -2.451 -4.748 8.951 1.00 0.00 N ATOM 1827 CA TRP A 123 -2.977 -4.451 10.260 1.00 0.00 C ATOM 1828 C TRP A 123 -4.090 -3.428 10.176 1.00 0.00 C ATOM 1829 O TRP A 123 -4.070 -2.532 9.327 1.00 0.00 O ATOM 1830 CB TRP A 123 -1.863 -3.928 11.161 1.00 0.00 C ATOM 1831 CG TRP A 123 -0.723 -4.882 11.311 1.00 0.00 C ATOM 1832 CD1 TRP A 123 0.341 -5.033 10.468 1.00 0.00 C ATOM 1833 CD2 TRP A 123 -0.544 -5.824 12.365 1.00 0.00 C ATOM 1834 NE1 TRP A 123 1.180 -6.010 10.948 1.00 0.00 N ATOM 1835 CE2 TRP A 123 0.657 -6.510 12.112 1.00 0.00 C ATOM 1836 CE3 TRP A 123 -1.284 -6.149 13.503 1.00 0.00 C ATOM 1837 CZ2 TRP A 123 1.133 -7.504 12.959 1.00 0.00 C ATOM 1838 CZ3 TRP A 123 -0.815 -7.135 14.341 1.00 0.00 C ATOM 1839 CH2 TRP A 123 0.387 -7.803 14.067 1.00 0.00 C ATOM 0 H TRP A 123 -2.057 -3.945 8.461 1.00 0.00 H new ATOM 0 HA TRP A 123 -3.384 -5.370 10.682 1.00 0.00 H new ATOM 0 HB2 TRP A 123 -1.489 -2.988 10.755 1.00 0.00 H new ATOM 0 HB3 TRP A 123 -2.275 -3.709 12.146 1.00 0.00 H new ATOM 0 HD1 TRP A 123 0.499 -4.469 9.560 1.00 0.00 H new ATOM 0 HE1 TRP A 123 2.050 -6.313 10.510 1.00 0.00 H new ATOM 0 HE3 TRP A 123 -2.209 -5.636 13.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 123 2.058 -8.022 12.750 1.00 0.00 H new ATOM 0 HZ3 TRP A 123 -1.381 -7.398 15.222 1.00 0.00 H new ATOM 0 HH2 TRP A 123 0.732 -8.570 14.745 1.00 0.00 H new ATOM 1850 N ALA A 124 -5.053 -3.561 11.063 1.00 0.00 N ATOM 1851 CA ALA A 124 -6.126 -2.600 11.159 1.00 0.00 C ATOM 1852 C ALA A 124 -5.896 -1.715 12.368 1.00 0.00 C ATOM 1853 O ALA A 124 -5.688 -2.206 13.482 1.00 0.00 O ATOM 1854 CB ALA A 124 -7.471 -3.306 11.257 1.00 0.00 C ATOM 0 H ALA A 124 -5.113 -4.330 11.730 1.00 0.00 H new ATOM 0 HA ALA A 124 -6.139 -1.983 10.260 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -8.267 -2.565 11.329 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -7.625 -3.920 10.369 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -7.485 -3.940 12.143 1.00 0.00 H new ATOM 1860 N LEU A 125 -5.914 -0.416 12.145 1.00 0.00 N ATOM 1861 CA LEU A 125 -5.712 0.532 13.221 1.00 0.00 C ATOM 1862 C LEU A 125 -7.008 0.719 13.982 1.00 0.00 C ATOM 1863 O LEU A 125 -8.078 0.828 13.381 1.00 0.00 O ATOM 1864 CB LEU A 125 -5.221 1.880 12.676 1.00 0.00 C ATOM 1865 CG LEU A 125 -4.991 2.968 13.729 1.00 0.00 C ATOM 1866 CD1 LEU A 125 -3.870 2.572 14.679 1.00 0.00 C ATOM 1867 CD2 LEU A 125 -4.682 4.298 13.061 1.00 0.00 C ATOM 0 H LEU A 125 -6.066 0.006 11.229 1.00 0.00 H new ATOM 0 HA LEU A 125 -4.949 0.140 13.894 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -4.288 1.717 12.137 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -5.948 2.247 11.952 1.00 0.00 H new ATOM 0 HG LEU A 125 -5.906 3.079 14.311 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -3.724 3.360 15.418 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -4.133 1.643 15.185 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -2.948 2.429 14.115 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -4.521 5.060 13.824 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -3.783 4.199 12.452 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -5.519 4.590 12.427 1.00 0.00 H new ATOM 1879 N ALA A 126 -6.918 0.714 15.300 1.00 0.00 N ATOM 1880 CA ALA A 126 -8.059 1.042 16.128 1.00 0.00 C ATOM 1881 C ALA A 126 -8.520 2.453 15.792 1.00 0.00 C ATOM 1882 O ALA A 126 -7.717 3.384 15.814 1.00 0.00 O ATOM 1883 CB ALA A 126 -7.701 0.926 17.604 1.00 0.00 C ATOM 0 H ALA A 126 -6.068 0.487 15.816 1.00 0.00 H new ATOM 0 HA ALA A 126 -8.869 0.340 15.930 1.00 0.00 H new ATOM 0 HB1 ALA A 126 -8.571 1.176 18.210 1.00 0.00 H new ATOM 0 HB2 ALA A 126 -7.388 -0.095 17.823 1.00 0.00 H new ATOM 0 HB3 ALA A 126 -6.887 1.613 17.836 1.00 0.00 H new ATOM 1889 N PRO A 127 -9.804 2.630 15.443 1.00 0.00 N ATOM 1890 CA PRO A 127 -10.356 3.941 15.073 1.00 0.00 C ATOM 1891 C PRO A 127 -10.161 4.979 16.174 1.00 0.00 C ATOM 1892 O PRO A 127 -10.163 6.182 15.921 1.00 0.00 O ATOM 1893 CB PRO A 127 -11.851 3.665 14.854 1.00 0.00 C ATOM 1894 CG PRO A 127 -12.105 2.334 15.478 1.00 0.00 C ATOM 1895 CD PRO A 127 -10.818 1.570 15.371 1.00 0.00 C ATOM 0 HA PRO A 127 -9.859 4.354 14.195 1.00 0.00 H new ATOM 0 HB2 PRO A 127 -12.465 4.439 15.315 1.00 0.00 H new ATOM 0 HB3 PRO A 127 -12.097 3.654 13.792 1.00 0.00 H new ATOM 0 HG2 PRO A 127 -12.407 2.444 16.519 1.00 0.00 H new ATOM 0 HG3 PRO A 127 -12.912 1.811 14.965 1.00 0.00 H new ATOM 0 HD2 PRO A 127 -10.707 0.849 16.181 1.00 0.00 H new ATOM 0 HD3 PRO A 127 -10.755 1.013 14.436 1.00 0.00 H new ATOM 1903 N ASP A 128 -9.972 4.494 17.392 1.00 0.00 N ATOM 1904 CA ASP A 128 -9.748 5.354 18.545 1.00 0.00 C ATOM 1905 C ASP A 128 -8.275 5.763 18.631 1.00 0.00 C ATOM 1906 O ASP A 128 -7.882 6.531 19.507 1.00 0.00 O ATOM 1907 CB ASP A 128 -10.170 4.612 19.814 1.00 0.00 C ATOM 1908 CG ASP A 128 -10.365 5.527 21.004 1.00 0.00 C ATOM 1909 OD1 ASP A 128 -11.419 6.192 21.072 1.00 0.00 O ATOM 1910 OD2 ASP A 128 -9.490 5.556 21.893 1.00 0.00 O ATOM 0 H ASP A 128 -9.969 3.497 17.609 1.00 0.00 H new ATOM 0 HA ASP A 128 -10.344 6.260 18.440 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -11.099 4.075 19.621 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -9.415 3.865 20.058 1.00 0.00 H new ATOM 1915 N ARG A 129 -7.472 5.243 17.695 1.00 0.00 N ATOM 1916 CA ARG A 129 -6.032 5.523 17.625 1.00 0.00 C ATOM 1917 C ARG A 129 -5.316 4.985 18.858 1.00 0.00 C ATOM 1918 O ARG A 129 -4.368 5.591 19.360 1.00 0.00 O ATOM 1919 CB ARG A 129 -5.772 7.024 17.462 1.00 0.00 C ATOM 1920 CG ARG A 129 -6.218 7.575 16.118 1.00 0.00 C ATOM 1921 CD ARG A 129 -6.070 9.086 16.051 1.00 0.00 C ATOM 1922 NE ARG A 129 -4.683 9.520 16.234 1.00 0.00 N ATOM 1923 CZ ARG A 129 -4.336 10.628 16.884 1.00 0.00 C ATOM 1924 NH1 ARG A 129 -5.268 11.402 17.424 1.00 0.00 N ATOM 1925 NH2 ARG A 129 -3.059 10.970 16.987 1.00 0.00 N ATOM 0 H ARG A 129 -7.803 4.615 16.963 1.00 0.00 H new ATOM 0 HA ARG A 129 -5.633 5.013 16.748 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -6.289 7.562 18.256 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -4.707 7.216 17.589 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -5.629 7.116 15.324 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -7.259 7.303 15.941 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -6.435 9.442 15.087 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -6.695 9.544 16.817 1.00 0.00 H new ATOM 0 HE ARG A 129 -3.941 8.940 15.841 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -6.252 11.148 17.341 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -5.000 12.251 17.922 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -2.338 10.383 16.567 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -2.797 11.820 17.486 1.00 0.00 H new ATOM 1939 N SER A 130 -5.765 3.826 19.323 1.00 0.00 N ATOM 1940 CA SER A 130 -5.213 3.210 20.517 1.00 0.00 C ATOM 1941 C SER A 130 -4.049 2.274 20.173 1.00 0.00 C ATOM 1942 O SER A 130 -2.960 2.392 20.735 1.00 0.00 O ATOM 1943 CB SER A 130 -6.315 2.436 21.240 1.00 0.00 C ATOM 1944 OG SER A 130 -7.522 3.182 21.269 1.00 0.00 O ATOM 0 H SER A 130 -6.516 3.292 18.885 1.00 0.00 H new ATOM 0 HA SER A 130 -4.826 3.995 21.167 1.00 0.00 H new ATOM 0 HB2 SER A 130 -6.484 1.483 20.739 1.00 0.00 H new ATOM 0 HB3 SER A 130 -5.998 2.210 22.258 1.00 0.00 H new ATOM 0 HG SER A 130 -8.214 2.667 21.735 1.00 0.00 H new ATOM 1950 N GLU A 131 -4.285 1.352 19.240 1.00 0.00 N ATOM 1951 CA GLU A 131 -3.292 0.340 18.891 1.00 0.00 C ATOM 1952 C GLU A 131 -3.629 -0.315 17.553 1.00 0.00 C ATOM 1953 O GLU A 131 -4.586 0.080 16.880 1.00 0.00 O ATOM 1954 CB GLU A 131 -3.228 -0.723 19.995 1.00 0.00 C ATOM 1955 CG GLU A 131 -4.578 -1.358 20.307 1.00 0.00 C ATOM 1956 CD GLU A 131 -4.525 -2.303 21.489 1.00 0.00 C ATOM 1957 OE1 GLU A 131 -4.184 -1.850 22.602 1.00 0.00 O ATOM 1958 OE2 GLU A 131 -4.840 -3.502 21.318 1.00 0.00 O ATOM 0 H GLU A 131 -5.156 1.286 18.713 1.00 0.00 H new ATOM 0 HA GLU A 131 -2.320 0.825 18.797 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -2.529 -1.504 19.696 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -2.830 -0.269 20.903 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -5.306 -0.572 20.509 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -4.930 -1.901 19.430 1.00 0.00 H new ATOM 1965 N PHE A 132 -2.849 -1.321 17.177 1.00 0.00 N ATOM 1966 CA PHE A 132 -3.098 -2.066 15.952 1.00 0.00 C ATOM 1967 C PHE A 132 -3.677 -3.429 16.288 1.00 0.00 C ATOM 1968 O PHE A 132 -3.393 -3.987 17.349 1.00 0.00 O ATOM 1969 CB PHE A 132 -1.811 -2.259 15.148 1.00 0.00 C ATOM 1970 CG PHE A 132 -1.300 -1.017 14.483 1.00 0.00 C ATOM 1971 CD1 PHE A 132 -1.793 -0.635 13.248 1.00 0.00 C ATOM 1972 CD2 PHE A 132 -0.317 -0.249 15.081 1.00 0.00 C ATOM 1973 CE1 PHE A 132 -1.314 0.494 12.619 1.00 0.00 C ATOM 1974 CE2 PHE A 132 0.171 0.880 14.454 1.00 0.00 C ATOM 1975 CZ PHE A 132 -0.330 1.253 13.222 1.00 0.00 C ATOM 0 H PHE A 132 -2.037 -1.639 17.705 1.00 0.00 H new ATOM 0 HA PHE A 132 -3.804 -1.493 15.351 1.00 0.00 H new ATOM 0 HB2 PHE A 132 -1.037 -2.645 15.812 1.00 0.00 H new ATOM 0 HB3 PHE A 132 -1.984 -3.019 14.386 1.00 0.00 H new ATOM 0 HD1 PHE A 132 -2.561 -1.227 12.772 1.00 0.00 H new ATOM 0 HD2 PHE A 132 0.072 -0.535 16.047 1.00 0.00 H new ATOM 0 HE1 PHE A 132 -1.707 0.785 11.656 1.00 0.00 H new ATOM 0 HE2 PHE A 132 0.943 1.470 14.926 1.00 0.00 H new ATOM 0 HZ PHE A 132 0.047 2.138 12.731 1.00 0.00 H new ATOM 1985 N HIS A 133 -4.499 -3.956 15.401 1.00 0.00 N ATOM 1986 CA HIS A 133 -5.057 -5.281 15.589 1.00 0.00 C ATOM 1987 C HIS A 133 -4.827 -6.132 14.356 1.00 0.00 C ATOM 1988 O HIS A 133 -4.740 -5.618 13.239 1.00 0.00 O ATOM 1989 CB HIS A 133 -6.550 -5.219 15.921 1.00 0.00 C ATOM 1990 CG HIS A 133 -6.837 -4.766 17.321 1.00 0.00 C ATOM 1991 ND1 HIS A 133 -7.004 -5.639 18.375 1.00 0.00 N ATOM 1992 CD2 HIS A 133 -6.993 -3.524 17.837 1.00 0.00 C ATOM 1993 CE1 HIS A 133 -7.248 -4.956 19.474 1.00 0.00 C ATOM 1994 NE2 HIS A 133 -7.245 -3.671 19.178 1.00 0.00 N ATOM 0 H HIS A 133 -4.795 -3.488 14.544 1.00 0.00 H new ATOM 0 HA HIS A 133 -4.546 -5.739 16.436 1.00 0.00 H new ATOM 0 HB2 HIS A 133 -7.041 -4.542 15.222 1.00 0.00 H new ATOM 0 HB3 HIS A 133 -6.988 -6.206 15.771 1.00 0.00 H new ATOM 0 HD2 HIS A 133 -6.931 -2.592 17.295 1.00 0.00 H new ATOM 0 HE1 HIS A 133 -7.421 -5.377 20.453 1.00 0.00 H new ATOM 0 HE2 HIS A 133 -7.404 -2.910 19.838 1.00 0.00 H new ATOM 2003 N ARG A 134 -4.718 -7.430 14.578 1.00 0.00 N ATOM 2004 CA ARG A 134 -4.452 -8.384 13.518 1.00 0.00 C ATOM 2005 C ARG A 134 -5.714 -8.657 12.709 1.00 0.00 C ATOM 2006 O ARG A 134 -6.807 -8.768 13.265 1.00 0.00 O ATOM 2007 CB ARG A 134 -3.933 -9.688 14.132 1.00 0.00 C ATOM 2008 CG ARG A 134 -3.662 -10.787 13.123 1.00 0.00 C ATOM 2009 CD ARG A 134 -2.347 -10.576 12.401 1.00 0.00 C ATOM 2010 NE ARG A 134 -2.092 -11.632 11.427 1.00 0.00 N ATOM 2011 CZ ARG A 134 -0.928 -12.264 11.299 1.00 0.00 C ATOM 2012 NH1 ARG A 134 0.077 -11.995 12.129 1.00 0.00 N ATOM 2013 NH2 ARG A 134 -0.781 -13.188 10.358 1.00 0.00 N ATOM 0 H ARG A 134 -4.812 -7.852 15.502 1.00 0.00 H new ATOM 0 HA ARG A 134 -3.700 -7.968 12.847 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -3.014 -9.478 14.679 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -4.661 -10.049 14.859 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -3.647 -11.751 13.631 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -4.474 -10.822 12.397 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -2.360 -9.610 11.896 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -1.534 -10.546 13.126 1.00 0.00 H new ATOM 0 HE ARG A 134 -2.854 -11.903 10.805 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -0.043 -11.302 12.867 1.00 0.00 H new ATOM 0 HH12 ARG A 134 0.967 -12.482 12.027 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -1.558 -13.411 9.737 1.00 0.00 H new ATOM 0 HH22 ARG A 134 0.109 -13.675 10.256 1.00 0.00 H new ATOM 2027 N GLU A 135 -5.557 -8.759 11.398 1.00 0.00 N ATOM 2028 CA GLU A 135 -6.665 -9.096 10.519 1.00 0.00 C ATOM 2029 C GLU A 135 -6.183 -10.083 9.467 1.00 0.00 C ATOM 2030 O GLU A 135 -4.998 -10.108 9.126 1.00 0.00 O ATOM 2031 CB GLU A 135 -7.245 -7.839 9.854 1.00 0.00 C ATOM 2032 CG GLU A 135 -8.496 -8.105 9.025 1.00 0.00 C ATOM 2033 CD GLU A 135 -9.067 -6.850 8.394 1.00 0.00 C ATOM 2034 OE1 GLU A 135 -8.609 -6.471 7.299 1.00 0.00 O ATOM 2035 OE2 GLU A 135 -9.994 -6.252 8.984 1.00 0.00 O ATOM 0 H GLU A 135 -4.669 -8.612 10.918 1.00 0.00 H new ATOM 0 HA GLU A 135 -7.461 -9.551 11.109 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -7.481 -7.106 10.626 1.00 0.00 H new ATOM 0 HB3 GLU A 135 -6.484 -7.394 9.214 1.00 0.00 H new ATOM 0 HG2 GLU A 135 -8.259 -8.824 8.241 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -9.255 -8.564 9.659 1.00 0.00 H new ATOM 2042 N ASP A 136 -7.089 -10.905 8.972 1.00 0.00 N ATOM 2043 CA ASP A 136 -6.736 -11.924 7.996 1.00 0.00 C ATOM 2044 C ASP A 136 -6.776 -11.371 6.585 1.00 0.00 C ATOM 2045 O ASP A 136 -7.691 -10.629 6.217 1.00 0.00 O ATOM 2046 CB ASP A 136 -7.667 -13.133 8.102 1.00 0.00 C ATOM 2047 CG ASP A 136 -7.449 -13.919 9.375 1.00 0.00 C ATOM 2048 OD1 ASP A 136 -6.447 -14.661 9.456 1.00 0.00 O ATOM 2049 OD2 ASP A 136 -8.276 -13.794 10.305 1.00 0.00 O ATOM 0 H ASP A 136 -8.076 -10.889 9.229 1.00 0.00 H new ATOM 0 HA ASP A 136 -5.717 -12.243 8.217 1.00 0.00 H new ATOM 0 HB2 ASP A 136 -8.703 -12.795 8.060 1.00 0.00 H new ATOM 0 HB3 ASP A 136 -7.509 -13.786 7.244 1.00 0.00 H new ATOM 2054 N ILE A 137 -5.772 -11.734 5.803 1.00 0.00 N ATOM 2055 CA ILE A 137 -5.693 -11.325 4.412 1.00 0.00 C ATOM 2056 C ILE A 137 -6.474 -12.301 3.542 1.00 0.00 C ATOM 2057 O ILE A 137 -6.134 -13.484 3.451 1.00 0.00 O ATOM 2058 CB ILE A 137 -4.227 -11.257 3.935 1.00 0.00 C ATOM 2059 CG1 ILE A 137 -3.436 -10.270 4.799 1.00 0.00 C ATOM 2060 CG2 ILE A 137 -4.165 -10.861 2.467 1.00 0.00 C ATOM 2061 CD1 ILE A 137 -1.964 -10.212 4.463 1.00 0.00 C ATOM 0 H ILE A 137 -4.994 -12.317 6.113 1.00 0.00 H new ATOM 0 HA ILE A 137 -6.127 -10.329 4.324 1.00 0.00 H new ATOM 0 HB ILE A 137 -3.776 -12.244 4.040 1.00 0.00 H new ATOM 0 HG12 ILE A 137 -3.865 -9.275 4.683 1.00 0.00 H new ATOM 0 HG13 ILE A 137 -3.550 -10.546 5.847 1.00 0.00 H new ATOM 0 HG21 ILE A 137 -3.124 -10.817 2.146 1.00 0.00 H new ATOM 0 HG22 ILE A 137 -4.699 -11.599 1.868 1.00 0.00 H new ATOM 0 HG23 ILE A 137 -4.627 -9.883 2.334 1.00 0.00 H new ATOM 0 HD11 ILE A 137 -1.470 -9.492 5.116 1.00 0.00 H new ATOM 0 HD12 ILE A 137 -1.519 -11.197 4.606 1.00 0.00 H new ATOM 0 HD13 ILE A 137 -1.840 -9.905 3.424 1.00 0.00 H new ATOM 2073 N VAL A 138 -7.532 -11.809 2.920 1.00 0.00 N ATOM 2074 CA VAL A 138 -8.396 -12.654 2.120 1.00 0.00 C ATOM 2075 C VAL A 138 -8.292 -12.291 0.651 1.00 0.00 C ATOM 2076 O VAL A 138 -7.944 -11.164 0.299 1.00 0.00 O ATOM 2077 CB VAL A 138 -9.875 -12.539 2.527 1.00 0.00 C ATOM 2078 CG1 VAL A 138 -10.565 -13.888 2.406 1.00 0.00 C ATOM 2079 CG2 VAL A 138 -10.027 -11.966 3.930 1.00 0.00 C ATOM 0 H VAL A 138 -7.812 -10.829 2.955 1.00 0.00 H new ATOM 0 HA VAL A 138 -8.058 -13.676 2.293 1.00 0.00 H new ATOM 0 HB VAL A 138 -10.359 -11.843 1.842 1.00 0.00 H new ATOM 0 HG11 VAL A 138 -11.611 -13.789 2.698 1.00 0.00 H new ATOM 0 HG12 VAL A 138 -10.507 -14.235 1.374 1.00 0.00 H new ATOM 0 HG13 VAL A 138 -10.073 -14.608 3.059 1.00 0.00 H new ATOM 0 HG21 VAL A 138 -11.085 -11.899 4.183 1.00 0.00 H new ATOM 0 HG22 VAL A 138 -9.523 -12.616 4.645 1.00 0.00 H new ATOM 0 HG23 VAL A 138 -9.582 -10.972 3.967 1.00 0.00 H new ATOM 2089 N ARG A 139 -8.605 -13.248 -0.197 1.00 0.00 N ATOM 2090 CA ARG A 139 -8.609 -13.034 -1.625 1.00 0.00 C ATOM 2091 C ARG A 139 -9.870 -12.273 -2.017 1.00 0.00 C ATOM 2092 O ARG A 139 -10.910 -12.401 -1.360 1.00 0.00 O ATOM 2093 CB ARG A 139 -8.529 -14.383 -2.339 1.00 0.00 C ATOM 2094 CG ARG A 139 -7.204 -15.095 -2.120 1.00 0.00 C ATOM 2095 CD ARG A 139 -7.273 -16.560 -2.524 1.00 0.00 C ATOM 2096 NE ARG A 139 -7.603 -16.744 -3.936 1.00 0.00 N ATOM 2097 CZ ARG A 139 -8.539 -17.586 -4.372 1.00 0.00 C ATOM 2098 NH1 ARG A 139 -9.251 -18.297 -3.502 1.00 0.00 N ATOM 2099 NH2 ARG A 139 -8.751 -17.722 -5.677 1.00 0.00 N ATOM 0 H ARG A 139 -8.863 -14.194 0.085 1.00 0.00 H new ATOM 0 HA ARG A 139 -7.745 -12.439 -1.921 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -9.340 -15.021 -1.989 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -8.681 -14.232 -3.408 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -6.424 -14.596 -2.696 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -6.921 -15.021 -1.070 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -6.315 -17.035 -2.315 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -8.020 -17.066 -1.912 1.00 0.00 H new ATOM 0 HE ARG A 139 -7.088 -16.197 -4.626 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -9.080 -18.198 -2.501 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -9.968 -18.942 -3.836 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -8.198 -17.182 -6.343 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -9.467 -18.366 -6.013 1.00 0.00 H new ATOM 2113 N PRO A 140 -9.785 -11.437 -3.058 1.00 0.00 N ATOM 2114 CA PRO A 140 -10.927 -10.658 -3.545 1.00 0.00 C ATOM 2115 C PRO A 140 -12.063 -11.556 -4.016 1.00 0.00 C ATOM 2116 O PRO A 140 -11.835 -12.548 -4.709 1.00 0.00 O ATOM 2117 CB PRO A 140 -10.353 -9.858 -4.718 1.00 0.00 C ATOM 2118 CG PRO A 140 -8.877 -9.876 -4.517 1.00 0.00 C ATOM 2119 CD PRO A 140 -8.570 -11.180 -3.842 1.00 0.00 C ATOM 0 HA PRO A 140 -11.355 -10.029 -2.765 1.00 0.00 H new ATOM 0 HB2 PRO A 140 -10.626 -10.308 -5.673 1.00 0.00 H new ATOM 0 HB3 PRO A 140 -10.737 -8.838 -4.725 1.00 0.00 H new ATOM 0 HG2 PRO A 140 -8.352 -9.796 -5.469 1.00 0.00 H new ATOM 0 HG3 PRO A 140 -8.556 -9.034 -3.904 1.00 0.00 H new ATOM 0 HD2 PRO A 140 -8.380 -11.974 -4.564 1.00 0.00 H new ATOM 0 HD3 PRO A 140 -7.687 -11.108 -3.207 1.00 0.00 H new ATOM 2127 N ASP A 141 -13.281 -11.203 -3.630 1.00 0.00 N ATOM 2128 CA ASP A 141 -14.456 -11.990 -3.976 1.00 0.00 C ATOM 2129 C ASP A 141 -14.652 -11.986 -5.489 1.00 0.00 C ATOM 2130 O ASP A 141 -14.794 -10.923 -6.098 1.00 0.00 O ATOM 2131 CB ASP A 141 -15.692 -11.416 -3.281 1.00 0.00 C ATOM 2132 CG ASP A 141 -15.425 -11.034 -1.835 1.00 0.00 C ATOM 2133 OD1 ASP A 141 -15.326 -11.936 -0.973 1.00 0.00 O ATOM 2134 OD2 ASP A 141 -15.302 -9.821 -1.554 1.00 0.00 O ATOM 0 H ASP A 141 -13.482 -10.372 -3.074 1.00 0.00 H new ATOM 0 HA ASP A 141 -14.311 -13.017 -3.641 1.00 0.00 H new ATOM 0 HB2 ASP A 141 -16.036 -10.538 -3.827 1.00 0.00 H new ATOM 0 HB3 ASP A 141 -16.498 -12.149 -3.316 1.00 0.00 H new