USER MOD reduce.3.24.130724 H: found=0, std=0, add=778, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 773 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 41 HIS : no HE2:sc= -0.02 X(o=-0.14,f=-0.3) USER MOD Set 1.2: A 45 HIS : no HD1:sc= -0.136 X(o=-0.14,f=-0.26) USER MOD Set 1.3: A 51 SER OG : rot 180:sc= 0.0146 USER MOD Set 2.1: A 23 SER OG : rot 180:sc= -0.0132 USER MOD Set 2.2: A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -172:sc=-0.00704 (180deg=-0.115) USER MOD Single : A 8 GLN :FLIP amide:sc=-0.00327 F(o=-1,f=-0.0033) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN :FLIP amide:sc= -0.0756 F(o=-0.73,f=-0.076) USER MOD Single : A 21 THR OG1 : rot 59:sc= 1.19 USER MOD Single : A 27 GLN :FLIP amide:sc= 0 F(o=-0.73,f=0) USER MOD Single : A 32 THR OG1 : rot 80:sc= 0.809 USER MOD Single : A 36 ASN : amide:sc= -0.0131 K(o=-0.013,f=-1) USER MOD Single : A 39 SER OG : rot 72:sc= 0.84 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 170:sc= -0.0221 (180deg=-0.165) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -0.328 X(o=-0.33,f=-0.0096) USER MOD Single : A 50 HIS :FLIP no HD1:sc= -0.0101 F(o=-0.58,f=-0.01) USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 57 MET CE :methyl -160:sc= -0.123 (180deg=-0.588) USER MOD Single : A 58 MET CE :methyl 139:sc= -1.71 (180deg=-2.83) USER MOD Single : A 61 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.14) USER MOD Single : A 68 TYR OH : rot -107:sc= 0.448 USER MOD Single : A 70 GLN :FLIP amide:sc= -2.2! C(o=-3.6!,f=-2.2!) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -146:sc= 1.01 (180deg=-0.843!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -23.405 9.876 -22.500 1.00 1.00 N ATOM 2 CA PRO A 1 -22.409 10.686 -21.771 1.00 1.00 C ATOM 3 C PRO A 1 -21.469 9.762 -21.035 1.00 1.00 C ATOM 4 O PRO A 1 -21.842 8.646 -20.697 1.00 1.00 O ATOM 5 CB PRO A 1 -23.118 11.600 -20.785 1.00 1.00 C ATOM 6 CG PRO A 1 -24.527 11.587 -21.252 1.00 1.00 C ATOM 7 CD PRO A 1 -24.734 10.280 -21.994 1.00 1.00 C ATOM 0 H2 PRO A 1 -23.246 8.881 -22.345 1.00 1.00 H new ATOM 0 H3 PRO A 1 -23.336 10.036 -23.505 1.00 1.00 H new ATOM 0 HA PRO A 1 -21.842 11.297 -22.473 1.00 1.00 H new ATOM 0 HB2 PRO A 1 -23.031 11.232 -19.763 1.00 1.00 H new ATOM 0 HB3 PRO A 1 -22.700 12.607 -20.799 1.00 1.00 H new ATOM 0 HG2 PRO A 1 -25.214 11.665 -20.409 1.00 1.00 H new ATOM 0 HG3 PRO A 1 -24.725 12.437 -21.905 1.00 1.00 H new ATOM 0 HD2 PRO A 1 -25.146 9.518 -21.332 1.00 1.00 H new ATOM 0 HD3 PRO A 1 -25.441 10.406 -22.814 1.00 1.00 H new ATOM 17 N ILE A 2 -20.259 10.206 -20.825 1.00 1.00 N ATOM 18 CA ILE A 2 -19.280 9.417 -20.100 1.00 1.00 C ATOM 19 C ILE A 2 -19.157 9.998 -18.706 1.00 1.00 C ATOM 20 O ILE A 2 -19.455 11.174 -18.506 1.00 1.00 O ATOM 21 CB ILE A 2 -17.893 9.455 -20.777 1.00 1.00 C ATOM 22 CG1 ILE A 2 -18.017 9.297 -22.293 1.00 1.00 C ATOM 23 CG2 ILE A 2 -16.977 8.379 -20.208 1.00 1.00 C ATOM 24 CD1 ILE A 2 -16.703 9.483 -23.024 1.00 1.00 C ATOM 0 H ILE A 2 -19.919 11.113 -21.144 1.00 1.00 H new ATOM 0 HA ILE A 2 -19.613 8.379 -20.080 1.00 1.00 H new ATOM 0 HB ILE A 2 -17.451 10.429 -20.568 1.00 1.00 H new ATOM 0 HG12 ILE A 2 -18.412 8.306 -22.517 1.00 1.00 H new ATOM 0 HG13 ILE A 2 -18.740 10.021 -22.669 1.00 1.00 H new ATOM 0 HG21 ILE A 2 -16.007 8.428 -20.702 1.00 1.00 H new ATOM 0 HG22 ILE A 2 -16.847 8.540 -19.138 1.00 1.00 H new ATOM 0 HG23 ILE A 2 -17.420 7.398 -20.376 1.00 1.00 H new ATOM 0 HD11 ILE A 2 -16.862 9.358 -24.095 1.00 1.00 H new ATOM 0 HD12 ILE A 2 -16.317 10.483 -22.829 1.00 1.00 H new ATOM 0 HD13 ILE A 2 -15.984 8.742 -22.675 1.00 1.00 H new ATOM 36 N THR A 3 -18.780 9.180 -17.744 1.00 1.00 N ATOM 37 CA THR A 3 -18.605 9.649 -16.374 1.00 1.00 C ATOM 38 C THR A 3 -19.908 10.159 -15.765 1.00 1.00 C ATOM 39 O THR A 3 -19.937 10.958 -14.827 1.00 1.00 O ATOM 40 CB THR A 3 -17.512 10.714 -16.286 1.00 1.00 C ATOM 41 OG1 THR A 3 -16.377 10.294 -17.061 1.00 1.00 O ATOM 42 CG2 THR A 3 -17.111 10.882 -14.839 1.00 1.00 C ATOM 0 H THR A 3 -18.588 8.188 -17.880 1.00 1.00 H new ATOM 0 HA THR A 3 -18.290 8.786 -15.787 1.00 1.00 H new ATOM 0 HB THR A 3 -17.880 11.663 -16.676 1.00 1.00 H new ATOM 0 HG1 THR A 3 -15.675 10.975 -17.008 1.00 1.00 H new ATOM 0 HG21 THR A 3 -16.331 11.640 -14.763 1.00 1.00 H new ATOM 0 HG22 THR A 3 -17.977 11.193 -14.255 1.00 1.00 H new ATOM 0 HG23 THR A 3 -16.735 9.934 -14.453 1.00 1.00 H new ATOM 50 N LYS A 4 -20.996 9.657 -16.298 1.00 1.00 N ATOM 51 CA LYS A 4 -22.309 10.009 -15.812 1.00 1.00 C ATOM 52 C LYS A 4 -22.763 8.986 -14.772 1.00 1.00 C ATOM 53 O LYS A 4 -22.861 9.289 -13.586 1.00 1.00 O ATOM 54 CB LYS A 4 -23.284 10.056 -16.991 1.00 1.00 C ATOM 55 CG LYS A 4 -24.741 10.271 -16.609 1.00 1.00 C ATOM 56 CD LYS A 4 -24.942 11.523 -15.772 1.00 1.00 C ATOM 57 CE LYS A 4 -26.418 11.740 -15.481 1.00 1.00 C ATOM 58 NZ LYS A 4 -26.644 12.840 -14.505 1.00 1.00 N ATOM 0 H LYS A 4 -20.997 8.997 -17.076 1.00 1.00 H new ATOM 0 HA LYS A 4 -22.282 10.990 -15.338 1.00 1.00 H new ATOM 0 HB2 LYS A 4 -22.978 10.856 -17.665 1.00 1.00 H new ATOM 0 HB3 LYS A 4 -23.203 9.122 -17.548 1.00 1.00 H new ATOM 0 HG2 LYS A 4 -25.344 10.342 -17.514 1.00 1.00 H new ATOM 0 HG3 LYS A 4 -25.100 9.404 -16.054 1.00 1.00 H new ATOM 0 HD2 LYS A 4 -24.390 11.434 -14.836 1.00 1.00 H new ATOM 0 HD3 LYS A 4 -24.539 12.388 -16.299 1.00 1.00 H new ATOM 0 HE2 LYS A 4 -26.940 11.969 -16.410 1.00 1.00 H new ATOM 0 HE3 LYS A 4 -26.849 10.818 -15.092 1.00 1.00 H new ATOM 0 HZ1 LYS A 4 -27.664 12.951 -14.338 1.00 1.00 H new ATOM 0 HZ2 LYS A 4 -26.169 12.612 -13.608 1.00 1.00 H new ATOM 0 HZ3 LYS A 4 -26.257 13.727 -14.886 1.00 1.00 H new ATOM 72 N GLU A 5 -22.945 7.750 -15.209 1.00 1.00 N ATOM 73 CA GLU A 5 -23.407 6.683 -14.317 1.00 1.00 C ATOM 74 C GLU A 5 -22.194 6.075 -13.640 1.00 1.00 C ATOM 75 O GLU A 5 -22.249 5.529 -12.540 1.00 1.00 O ATOM 76 CB GLU A 5 -24.192 5.650 -15.140 1.00 1.00 C ATOM 77 CG GLU A 5 -24.903 4.557 -14.336 1.00 1.00 C ATOM 78 CD GLU A 5 -23.992 3.434 -13.838 1.00 1.00 C ATOM 79 OE1 GLU A 5 -23.216 2.876 -14.648 1.00 1.00 O ATOM 80 OE2 GLU A 5 -24.058 3.100 -12.636 1.00 1.00 O ATOM 0 H GLU A 5 -22.782 7.455 -16.172 1.00 1.00 H new ATOM 0 HA GLU A 5 -24.075 7.065 -13.545 1.00 1.00 H new ATOM 0 HB2 GLU A 5 -24.936 6.178 -15.736 1.00 1.00 H new ATOM 0 HB3 GLU A 5 -23.505 5.172 -15.838 1.00 1.00 H new ATOM 0 HG2 GLU A 5 -25.392 5.017 -13.477 1.00 1.00 H new ATOM 0 HG3 GLU A 5 -25.688 4.122 -14.955 1.00 1.00 H new ATOM 87 N GLU A 6 -21.070 6.293 -14.288 1.00 1.00 N ATOM 88 CA GLU A 6 -19.801 5.812 -13.829 1.00 1.00 C ATOM 89 C GLU A 6 -19.418 6.554 -12.568 1.00 1.00 C ATOM 90 O GLU A 6 -18.863 5.993 -11.622 1.00 1.00 O ATOM 91 CB GLU A 6 -18.806 6.073 -14.940 1.00 1.00 C ATOM 92 CG GLU A 6 -19.044 5.165 -16.123 1.00 1.00 C ATOM 93 CD GLU A 6 -18.225 5.560 -17.327 1.00 1.00 C ATOM 94 OE1 GLU A 6 -18.615 6.534 -18.012 1.00 1.00 O ATOM 95 OE2 GLU A 6 -17.191 4.916 -17.573 1.00 1.00 O ATOM 0 H GLU A 6 -21.020 6.818 -15.161 1.00 1.00 H new ATOM 0 HA GLU A 6 -19.827 4.748 -13.594 1.00 1.00 H new ATOM 0 HB2 GLU A 6 -18.879 7.113 -15.258 1.00 1.00 H new ATOM 0 HB3 GLU A 6 -17.793 5.925 -14.565 1.00 1.00 H new ATOM 0 HG2 GLU A 6 -18.803 4.139 -15.844 1.00 1.00 H new ATOM 0 HG3 GLU A 6 -20.102 5.184 -16.385 1.00 1.00 H new ATOM 102 N LYS A 7 -19.794 7.821 -12.559 1.00 1.00 N ATOM 103 CA LYS A 7 -19.526 8.699 -11.459 1.00 1.00 C ATOM 104 C LYS A 7 -20.545 8.472 -10.354 1.00 1.00 C ATOM 105 O LYS A 7 -20.220 8.532 -9.175 1.00 1.00 O ATOM 106 CB LYS A 7 -19.584 10.117 -11.975 1.00 1.00 C ATOM 107 CG LYS A 7 -19.282 11.162 -10.931 1.00 1.00 C ATOM 108 CD LYS A 7 -19.322 12.546 -11.543 1.00 1.00 C ATOM 109 CE LYS A 7 -18.991 13.631 -10.531 1.00 1.00 C ATOM 110 NZ LYS A 7 -19.935 13.651 -9.376 1.00 1.00 N ATOM 0 H LYS A 7 -20.298 8.263 -13.328 1.00 1.00 H new ATOM 0 HA LYS A 7 -18.540 8.504 -11.038 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -18.875 10.223 -12.796 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -20.577 10.303 -12.385 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -20.007 11.095 -10.120 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -18.299 10.978 -10.496 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -18.615 12.596 -12.371 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -20.313 12.729 -11.959 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -17.976 13.481 -10.163 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -19.010 14.602 -11.027 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -19.748 14.489 -8.789 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -20.913 13.686 -9.728 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -19.803 12.792 -8.805 1.00 1.00 H new ATOM 124 N GLN A 8 -21.784 8.225 -10.746 1.00 1.00 N ATOM 125 CA GLN A 8 -22.826 7.932 -9.781 1.00 1.00 C ATOM 126 C GLN A 8 -22.435 6.665 -9.024 1.00 1.00 C ATOM 127 O GLN A 8 -22.505 6.605 -7.800 1.00 1.00 O ATOM 128 CB GLN A 8 -24.163 7.749 -10.487 1.00 1.00 C ATOM 129 CG GLN A 8 -25.321 7.576 -9.525 1.00 1.00 C ATOM 130 CD GLN A 8 -26.655 7.422 -10.227 1.00 1.00 C ATOM 131 OE1 GLN A 8 -26.802 8.039 -11.384 1.00 1.00 O flip ATOM 132 NE2 GLN A 8 -27.554 6.757 -9.736 1.00 1.00 N flip ATOM 0 H GLN A 8 -22.090 8.222 -11.719 1.00 1.00 H new ATOM 0 HA GLN A 8 -22.933 8.760 -9.080 1.00 1.00 H new ATOM 0 HB2 GLN A 8 -24.353 8.613 -11.124 1.00 1.00 H new ATOM 0 HB3 GLN A 8 -24.107 6.878 -11.140 1.00 1.00 H new ATOM 0 HG2 GLN A 8 -25.141 6.700 -8.902 1.00 1.00 H new ATOM 0 HG3 GLN A 8 -25.365 8.437 -8.859 1.00 1.00 H new ATOM 0 HE21 GLN A 8 -27.412 6.291 -8.840 1.00 1.00 H new ATOM 0 HE22 GLN A 8 -28.446 6.668 -10.222 1.00 1.00 H new ATOM 141 N LYS A 9 -21.984 5.666 -9.780 1.00 1.00 N ATOM 142 CA LYS A 9 -21.519 4.410 -9.208 1.00 1.00 C ATOM 143 C LYS A 9 -20.329 4.674 -8.266 1.00 1.00 C ATOM 144 O LYS A 9 -20.211 4.040 -7.225 1.00 1.00 O ATOM 145 CB LYS A 9 -21.143 3.434 -10.334 1.00 1.00 C ATOM 146 CG LYS A 9 -20.800 2.027 -9.863 1.00 1.00 C ATOM 147 CD LYS A 9 -20.516 1.086 -11.035 1.00 1.00 C ATOM 148 CE LYS A 9 -21.748 0.874 -11.913 1.00 1.00 C ATOM 149 NZ LYS A 9 -21.470 -0.023 -13.072 1.00 1.00 N ATOM 0 H LYS A 9 -21.932 5.706 -10.798 1.00 1.00 H new ATOM 0 HA LYS A 9 -22.316 3.954 -8.621 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -21.973 3.375 -11.039 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -20.290 3.839 -10.879 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -19.929 2.065 -9.209 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -21.625 1.631 -9.271 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -19.706 1.495 -11.640 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -20.174 0.124 -10.653 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -22.551 0.448 -11.311 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -22.101 1.838 -12.279 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -22.335 -0.137 -13.638 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -20.722 0.394 -13.662 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -21.159 -0.953 -12.725 1.00 1.00 H new ATOM 163 N VAL A 10 -19.460 5.630 -8.632 1.00 1.00 N ATOM 164 CA VAL A 10 -18.318 6.007 -7.777 1.00 1.00 C ATOM 165 C VAL A 10 -18.823 6.488 -6.410 1.00 1.00 C ATOM 166 O VAL A 10 -18.270 6.150 -5.367 1.00 1.00 O ATOM 167 CB VAL A 10 -17.452 7.127 -8.431 1.00 1.00 C ATOM 168 CG1 VAL A 10 -16.464 7.747 -7.447 1.00 1.00 C ATOM 169 CG2 VAL A 10 -16.695 6.582 -9.626 1.00 1.00 C ATOM 0 H VAL A 10 -19.523 6.153 -9.505 1.00 1.00 H new ATOM 0 HA VAL A 10 -17.694 5.122 -7.654 1.00 1.00 H new ATOM 0 HB VAL A 10 -18.141 7.909 -8.752 1.00 1.00 H new ATOM 0 HG11 VAL A 10 -15.885 8.521 -7.951 1.00 1.00 H new ATOM 0 HG12 VAL A 10 -17.010 8.188 -6.613 1.00 1.00 H new ATOM 0 HG13 VAL A 10 -15.790 6.976 -7.073 1.00 1.00 H new ATOM 0 HG21 VAL A 10 -16.096 7.377 -10.070 1.00 1.00 H new ATOM 0 HG22 VAL A 10 -16.041 5.772 -9.304 1.00 1.00 H new ATOM 0 HG23 VAL A 10 -17.403 6.205 -10.364 1.00 1.00 H new ATOM 179 N ILE A 11 -19.922 7.227 -6.435 1.00 1.00 N ATOM 180 CA ILE A 11 -20.531 7.766 -5.223 1.00 1.00 C ATOM 181 C ILE A 11 -21.365 6.668 -4.520 1.00 1.00 C ATOM 182 O ILE A 11 -21.872 6.826 -3.407 1.00 1.00 O ATOM 183 CB ILE A 11 -21.330 9.044 -5.571 1.00 1.00 C ATOM 184 CG1 ILE A 11 -20.391 10.266 -5.618 1.00 1.00 C ATOM 185 CG2 ILE A 11 -22.451 9.290 -4.593 1.00 1.00 C ATOM 186 CD1 ILE A 11 -19.231 10.094 -6.572 1.00 1.00 C ATOM 0 H ILE A 11 -20.418 7.471 -7.293 1.00 1.00 H new ATOM 0 HA ILE A 11 -19.769 8.068 -4.505 1.00 1.00 H new ATOM 0 HB ILE A 11 -21.776 8.893 -6.554 1.00 1.00 H new ATOM 0 HG12 ILE A 11 -20.965 11.145 -5.910 1.00 1.00 H new ATOM 0 HG13 ILE A 11 -20.004 10.456 -4.617 1.00 1.00 H new ATOM 0 HG21 ILE A 11 -22.986 10.197 -4.874 1.00 1.00 H new ATOM 0 HG22 ILE A 11 -23.138 8.444 -4.607 1.00 1.00 H new ATOM 0 HG23 ILE A 11 -22.040 9.407 -3.590 1.00 1.00 H new ATOM 0 HD11 ILE A 11 -18.611 10.990 -6.556 1.00 1.00 H new ATOM 0 HD12 ILE A 11 -18.634 9.234 -6.268 1.00 1.00 H new ATOM 0 HD13 ILE A 11 -19.611 9.934 -7.581 1.00 1.00 H new ATOM 198 N GLN A 12 -21.506 5.537 -5.195 1.00 1.00 N ATOM 199 CA GLN A 12 -22.144 4.381 -4.597 1.00 1.00 C ATOM 200 C GLN A 12 -21.060 3.491 -3.973 1.00 1.00 C ATOM 201 O GLN A 12 -21.337 2.682 -3.091 1.00 1.00 O ATOM 202 CB GLN A 12 -22.919 3.555 -5.633 1.00 1.00 C ATOM 203 CG GLN A 12 -24.041 4.303 -6.336 1.00 1.00 C ATOM 204 CD GLN A 12 -25.092 4.863 -5.387 1.00 1.00 C ATOM 205 OE1 GLN A 12 -25.347 4.184 -4.284 1.00 1.00 O flip ATOM 206 NE2 GLN A 12 -25.681 5.898 -5.650 1.00 1.00 N flip ATOM 0 H GLN A 12 -21.187 5.398 -6.154 1.00 1.00 H new ATOM 0 HA GLN A 12 -22.851 4.734 -3.846 1.00 1.00 H new ATOM 0 HB2 GLN A 12 -22.218 3.191 -6.384 1.00 1.00 H new ATOM 0 HB3 GLN A 12 -23.339 2.680 -5.138 1.00 1.00 H new ATOM 0 HG2 GLN A 12 -23.613 5.122 -6.914 1.00 1.00 H new ATOM 0 HG3 GLN A 12 -24.525 3.631 -7.045 1.00 1.00 H new ATOM 0 HE21 GLN A 12 -25.465 6.404 -6.509 1.00 1.00 H new ATOM 0 HE22 GLN A 12 -26.390 6.258 -5.011 1.00 1.00 H new ATOM 215 N GLU A 13 -19.814 3.677 -4.416 1.00 1.00 N ATOM 216 CA GLU A 13 -18.698 2.842 -3.957 1.00 1.00 C ATOM 217 C GLU A 13 -17.865 3.365 -2.770 1.00 1.00 C ATOM 218 O GLU A 13 -17.828 2.743 -1.715 1.00 1.00 O ATOM 219 CB GLU A 13 -17.718 2.615 -5.126 1.00 1.00 C ATOM 220 CG GLU A 13 -18.331 1.884 -6.307 1.00 1.00 C ATOM 221 CD GLU A 13 -17.473 1.933 -7.561 1.00 1.00 C ATOM 222 OE1 GLU A 13 -16.943 3.017 -7.891 1.00 1.00 O ATOM 223 OE2 GLU A 13 -17.357 0.897 -8.249 1.00 1.00 O ATOM 0 H GLU A 13 -19.552 4.396 -5.090 1.00 1.00 H new ATOM 0 HA GLU A 13 -19.191 1.938 -3.600 1.00 1.00 H new ATOM 0 HB2 GLU A 13 -17.341 3.580 -5.464 1.00 1.00 H new ATOM 0 HB3 GLU A 13 -16.861 2.047 -4.764 1.00 1.00 H new ATOM 0 HG2 GLU A 13 -18.500 0.843 -6.032 1.00 1.00 H new ATOM 0 HG3 GLU A 13 -19.307 2.318 -6.526 1.00 1.00 H new ATOM 230 N PHE A 14 -17.275 4.541 -2.898 1.00 1.00 N ATOM 231 CA PHE A 14 -16.260 4.977 -1.918 1.00 1.00 C ATOM 232 C PHE A 14 -16.606 5.451 -0.464 1.00 1.00 C ATOM 233 O PHE A 14 -16.612 4.628 0.445 1.00 1.00 O ATOM 234 CB PHE A 14 -15.286 5.958 -2.575 1.00 1.00 C ATOM 235 CG PHE A 14 -14.603 5.380 -3.795 1.00 1.00 C ATOM 236 CD1 PHE A 14 -13.417 4.675 -3.660 1.00 1.00 C ATOM 237 CD2 PHE A 14 -15.143 5.529 -5.068 1.00 1.00 C ATOM 238 CE1 PHE A 14 -12.783 4.128 -4.760 1.00 1.00 C ATOM 239 CE2 PHE A 14 -14.508 4.983 -6.173 1.00 1.00 C ATOM 240 CZ PHE A 14 -13.327 4.284 -6.018 1.00 1.00 C ATOM 0 H PHE A 14 -17.466 5.207 -3.647 1.00 1.00 H new ATOM 0 HA PHE A 14 -15.850 3.999 -1.668 1.00 1.00 H new ATOM 0 HB2 PHE A 14 -15.825 6.861 -2.860 1.00 1.00 H new ATOM 0 HB3 PHE A 14 -14.530 6.254 -1.848 1.00 1.00 H new ATOM 0 HD1 PHE A 14 -12.981 4.551 -2.680 1.00 1.00 H new ATOM 0 HD2 PHE A 14 -16.066 6.075 -5.197 1.00 1.00 H new ATOM 0 HE1 PHE A 14 -11.862 3.579 -4.634 1.00 1.00 H new ATOM 0 HE2 PHE A 14 -14.938 5.104 -7.156 1.00 1.00 H new ATOM 0 HZ PHE A 14 -12.831 3.861 -6.879 1.00 1.00 H new ATOM 250 N ALA A 15 -16.863 6.756 -0.235 1.00 1.00 N ATOM 251 CA ALA A 15 -16.941 7.332 1.155 1.00 1.00 C ATOM 252 C ALA A 15 -17.731 6.608 2.242 1.00 1.00 C ATOM 253 O ALA A 15 -18.897 6.248 2.085 1.00 1.00 O ATOM 254 CB ALA A 15 -17.323 8.790 1.175 1.00 1.00 C ATOM 0 H ALA A 15 -17.021 7.438 -0.977 1.00 1.00 H new ATOM 0 HA ALA A 15 -15.901 7.172 1.440 1.00 1.00 H new ATOM 0 HB1 ALA A 15 -17.361 9.142 2.206 1.00 1.00 H new ATOM 0 HB2 ALA A 15 -16.583 9.368 0.621 1.00 1.00 H new ATOM 0 HB3 ALA A 15 -18.302 8.916 0.712 1.00 1.00 H new ATOM 260 N ARG A 16 -17.070 6.571 3.417 1.00 1.00 N ATOM 261 CA ARG A 16 -17.591 5.917 4.621 1.00 1.00 C ATOM 262 C ARG A 16 -18.719 6.681 5.298 1.00 1.00 C ATOM 263 O ARG A 16 -18.531 7.549 6.152 1.00 1.00 O ATOM 264 CB ARG A 16 -16.475 5.592 5.626 1.00 1.00 C ATOM 265 CG ARG A 16 -16.955 5.162 7.026 1.00 1.00 C ATOM 266 CD ARG A 16 -17.777 3.858 7.031 1.00 1.00 C ATOM 267 NE ARG A 16 -16.948 2.650 6.857 1.00 1.00 N ATOM 268 CZ ARG A 16 -17.254 1.457 7.321 1.00 1.00 C ATOM 269 NH1 ARG A 16 -18.388 1.242 7.910 1.00 1.00 N ATOM 270 NH2 ARG A 16 -16.427 0.470 7.159 1.00 1.00 N ATOM 0 H ARG A 16 -16.154 6.999 3.551 1.00 1.00 H new ATOM 0 HA ARG A 16 -18.023 4.981 4.268 1.00 1.00 H new ATOM 0 HB2 ARG A 16 -15.856 4.796 5.212 1.00 1.00 H new ATOM 0 HB3 ARG A 16 -15.837 6.470 5.732 1.00 1.00 H new ATOM 0 HG2 ARG A 16 -16.088 5.036 7.674 1.00 1.00 H new ATOM 0 HG3 ARG A 16 -17.559 5.962 7.454 1.00 1.00 H new ATOM 0 HD2 ARG A 16 -18.324 3.784 7.971 1.00 1.00 H new ATOM 0 HD3 ARG A 16 -18.519 3.900 6.233 1.00 1.00 H new ATOM 0 HE ARG A 16 -16.074 2.746 6.340 1.00 1.00 H new ATOM 0 HH11 ARG A 16 -19.058 2.003 8.019 1.00 1.00 H new ATOM 0 HH12 ARG A 16 -18.610 0.312 8.264 1.00 1.00 H new ATOM 0 HH21 ARG A 16 -15.543 0.620 6.673 1.00 1.00 H new ATOM 0 HH22 ARG A 16 -16.661 -0.456 7.517 1.00 1.00 H new ATOM 284 N PHE A 17 -19.861 6.372 4.765 1.00 1.00 N ATOM 285 CA PHE A 17 -21.177 6.750 5.212 1.00 1.00 C ATOM 286 C PHE A 17 -22.082 6.083 4.191 1.00 1.00 C ATOM 287 O PHE A 17 -21.666 5.918 3.042 1.00 1.00 O ATOM 288 CB PHE A 17 -21.443 8.261 5.325 1.00 1.00 C ATOM 289 CG PHE A 17 -21.093 8.852 6.671 1.00 1.00 C ATOM 290 CD1 PHE A 17 -21.587 8.306 7.855 1.00 1.00 C ATOM 291 CD2 PHE A 17 -20.247 9.944 6.751 1.00 1.00 C ATOM 292 CE1 PHE A 17 -21.247 8.855 9.081 1.00 1.00 C ATOM 293 CE2 PHE A 17 -19.909 10.496 7.972 1.00 1.00 C ATOM 294 CZ PHE A 17 -20.399 9.945 9.138 1.00 1.00 C ATOM 0 H PHE A 17 -19.905 5.794 3.926 1.00 1.00 H new ATOM 0 HA PHE A 17 -21.341 6.432 6.242 1.00 1.00 H new ATOM 0 HB2 PHE A 17 -20.872 8.778 4.554 1.00 1.00 H new ATOM 0 HB3 PHE A 17 -22.497 8.449 5.121 1.00 1.00 H new ATOM 0 HD1 PHE A 17 -22.241 7.447 7.816 1.00 1.00 H new ATOM 0 HD2 PHE A 17 -19.844 10.372 5.845 1.00 1.00 H new ATOM 0 HE1 PHE A 17 -21.644 8.431 9.992 1.00 1.00 H new ATOM 0 HE2 PHE A 17 -19.261 11.359 8.013 1.00 1.00 H new ATOM 0 HZ PHE A 17 -20.121 10.365 10.093 1.00 1.00 H new ATOM 304 N PRO A 18 -23.275 5.632 4.561 1.00 1.00 N ATOM 305 CA PRO A 18 -24.157 4.925 3.624 1.00 1.00 C ATOM 306 C PRO A 18 -24.517 5.744 2.388 1.00 1.00 C ATOM 307 O PRO A 18 -25.524 6.448 2.357 1.00 1.00 O ATOM 308 CB PRO A 18 -25.399 4.610 4.454 1.00 1.00 C ATOM 309 CG PRO A 18 -24.956 4.734 5.874 1.00 1.00 C ATOM 310 CD PRO A 18 -23.885 5.787 5.883 1.00 1.00 C ATOM 0 HA PRO A 18 -23.668 4.039 3.219 1.00 1.00 H new ATOM 0 HB2 PRO A 18 -26.209 5.304 4.231 1.00 1.00 H new ATOM 0 HB3 PRO A 18 -25.771 3.608 4.243 1.00 1.00 H new ATOM 0 HG2 PRO A 18 -25.788 5.018 6.519 1.00 1.00 H new ATOM 0 HG3 PRO A 18 -24.573 3.784 6.248 1.00 1.00 H new ATOM 0 HD2 PRO A 18 -24.299 6.785 6.024 1.00 1.00 H new ATOM 0 HD3 PRO A 18 -23.164 5.625 6.684 1.00 1.00 H new ATOM 318 N GLY A 19 -23.661 5.662 1.382 1.00 1.00 N ATOM 319 CA GLY A 19 -23.899 6.377 0.156 1.00 1.00 C ATOM 320 C GLY A 19 -23.353 7.795 0.185 1.00 1.00 C ATOM 321 O GLY A 19 -23.860 8.656 -0.523 1.00 1.00 O ATOM 0 H GLY A 19 -22.804 5.110 1.397 1.00 1.00 H new ATOM 0 HA2 GLY A 19 -23.442 5.833 -0.671 1.00 1.00 H new ATOM 0 HA3 GLY A 19 -24.971 6.409 -0.038 1.00 1.00 H new ATOM 325 N ASP A 20 -22.334 8.072 1.008 1.00 1.00 N ATOM 326 CA ASP A 20 -21.788 9.442 1.038 1.00 1.00 C ATOM 327 C ASP A 20 -21.125 9.675 -0.290 1.00 1.00 C ATOM 328 O ASP A 20 -21.464 10.554 -1.077 1.00 1.00 O ATOM 329 CB ASP A 20 -20.789 9.641 2.181 1.00 1.00 C ATOM 330 CG ASP A 20 -20.133 11.004 2.130 1.00 1.00 C ATOM 331 OD1 ASP A 20 -19.253 11.210 1.264 1.00 1.00 O ATOM 332 OD2 ASP A 20 -20.496 11.860 2.956 1.00 1.00 O ATOM 0 H ASP A 20 -21.886 7.405 1.636 1.00 1.00 H new ATOM 0 HA ASP A 20 -22.592 10.157 1.213 1.00 1.00 H new ATOM 0 HB2 ASP A 20 -21.302 9.521 3.135 1.00 1.00 H new ATOM 0 HB3 ASP A 20 -20.022 8.868 2.131 1.00 1.00 H new ATOM 337 N THR A 21 -20.145 8.874 -0.497 1.00 1.00 N ATOM 338 CA THR A 21 -19.480 8.812 -1.726 1.00 1.00 C ATOM 339 C THR A 21 -19.406 7.332 -1.967 1.00 1.00 C ATOM 340 O THR A 21 -18.723 6.842 -2.847 1.00 1.00 O ATOM 341 CB THR A 21 -18.106 9.502 -1.735 1.00 1.00 C ATOM 342 OG1 THR A 21 -18.218 10.849 -1.238 1.00 1.00 O ATOM 343 CG2 THR A 21 -17.533 9.546 -3.138 1.00 1.00 C ATOM 0 H THR A 21 -19.782 8.232 0.207 1.00 1.00 H new ATOM 0 HA THR A 21 -19.998 9.358 -2.515 1.00 1.00 H new ATOM 0 HB THR A 21 -17.442 8.925 -1.092 1.00 1.00 H new ATOM 0 HG1 THR A 21 -18.573 10.832 -0.325 1.00 1.00 H new ATOM 0 HG21 THR A 21 -16.561 10.039 -3.119 1.00 1.00 H new ATOM 0 HG22 THR A 21 -17.418 8.530 -3.516 1.00 1.00 H new ATOM 0 HG23 THR A 21 -18.208 10.101 -3.789 1.00 1.00 H new ATOM 351 N GLY A 22 -20.101 6.595 -1.078 1.00 1.00 N ATOM 352 CA GLY A 22 -20.179 5.182 -1.276 1.00 1.00 C ATOM 353 C GLY A 22 -20.340 4.261 -0.071 1.00 1.00 C ATOM 354 O GLY A 22 -21.468 3.886 0.275 1.00 1.00 O ATOM 0 H GLY A 22 -20.588 6.958 -0.258 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -21.018 4.992 -1.946 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -19.275 4.876 -1.802 1.00 1.00 H new ATOM 358 N SER A 23 -19.235 3.976 0.634 1.00 1.00 N ATOM 359 CA SER A 23 -19.265 2.919 1.641 1.00 1.00 C ATOM 360 C SER A 23 -17.922 2.688 2.430 1.00 1.00 C ATOM 361 O SER A 23 -17.717 3.252 3.502 1.00 1.00 O ATOM 362 CB SER A 23 -19.636 1.637 0.868 1.00 1.00 C ATOM 363 OG SER A 23 -19.546 0.472 1.670 1.00 1.00 O ATOM 0 H SER A 23 -18.338 4.449 0.527 1.00 1.00 H new ATOM 0 HA SER A 23 -19.976 3.204 2.416 1.00 1.00 H new ATOM 0 HB2 SER A 23 -20.651 1.731 0.482 1.00 1.00 H new ATOM 0 HB3 SER A 23 -18.976 1.533 0.007 1.00 1.00 H new ATOM 0 HG SER A 23 -19.792 -0.312 1.136 1.00 1.00 H new ATOM 369 N THR A 24 -17.015 1.840 1.896 1.00 1.00 N ATOM 370 CA THR A 24 -15.734 1.474 2.577 1.00 1.00 C ATOM 371 C THR A 24 -14.565 1.531 1.603 1.00 1.00 C ATOM 372 O THR A 24 -13.402 1.704 1.977 1.00 1.00 O ATOM 373 CB THR A 24 -15.871 0.042 3.144 1.00 1.00 C ATOM 374 OG1 THR A 24 -16.942 0.032 4.094 1.00 1.00 O ATOM 375 CG2 THR A 24 -14.611 -0.476 3.825 1.00 1.00 C ATOM 0 H THR A 24 -17.140 1.389 0.990 1.00 1.00 H new ATOM 0 HA THR A 24 -15.539 2.184 3.380 1.00 1.00 H new ATOM 0 HB THR A 24 -16.062 -0.617 2.297 1.00 1.00 H new ATOM 0 HG1 THR A 24 -17.044 -0.870 4.463 1.00 1.00 H new ATOM 0 HG21 THR A 24 -14.787 -1.486 4.196 1.00 1.00 H new ATOM 0 HG22 THR A 24 -13.790 -0.491 3.108 1.00 1.00 H new ATOM 0 HG23 THR A 24 -14.353 0.177 4.659 1.00 1.00 H new ATOM 383 N GLU A 25 -14.927 1.365 0.354 1.00 1.00 N ATOM 384 CA GLU A 25 -14.045 1.429 -0.796 1.00 1.00 C ATOM 385 C GLU A 25 -13.207 2.718 -0.744 1.00 1.00 C ATOM 386 O GLU A 25 -12.094 2.786 -1.268 1.00 1.00 O ATOM 387 CB GLU A 25 -14.948 1.408 -2.036 1.00 1.00 C ATOM 388 CG GLU A 25 -15.676 0.077 -2.277 1.00 1.00 C ATOM 389 CD GLU A 25 -16.957 -0.125 -1.462 1.00 1.00 C ATOM 390 OE1 GLU A 25 -16.926 0.020 -0.222 1.00 1.00 O ATOM 391 OE2 GLU A 25 -17.999 -0.445 -2.071 1.00 1.00 O ATOM 0 H GLU A 25 -15.894 1.171 0.094 1.00 1.00 H new ATOM 0 HA GLU A 25 -13.346 0.593 -0.816 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -15.690 2.201 -1.942 1.00 1.00 H new ATOM 0 HB3 GLU A 25 -14.344 1.640 -2.913 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -15.923 0.004 -3.336 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -14.990 -0.739 -2.053 1.00 1.00 H new ATOM 398 N VAL A 26 -13.789 3.744 -0.108 1.00 1.00 N ATOM 399 CA VAL A 26 -13.138 5.041 0.105 1.00 1.00 C ATOM 400 C VAL A 26 -11.802 4.888 0.804 1.00 1.00 C ATOM 401 O VAL A 26 -10.819 5.533 0.451 1.00 1.00 O ATOM 402 CB VAL A 26 -14.026 5.961 0.980 1.00 1.00 C ATOM 403 CG1 VAL A 26 -14.182 5.419 2.409 1.00 1.00 C ATOM 404 CG2 VAL A 26 -13.492 7.384 0.992 1.00 1.00 C ATOM 0 H VAL A 26 -14.733 3.695 0.276 1.00 1.00 H new ATOM 0 HA VAL A 26 -12.986 5.479 -0.881 1.00 1.00 H new ATOM 0 HB VAL A 26 -15.019 5.974 0.530 1.00 1.00 H new ATOM 0 HG11 VAL A 26 -14.812 6.095 2.988 1.00 1.00 H new ATOM 0 HG12 VAL A 26 -14.644 4.432 2.375 1.00 1.00 H new ATOM 0 HG13 VAL A 26 -13.201 5.345 2.879 1.00 1.00 H new ATOM 0 HG21 VAL A 26 -14.134 8.008 1.613 1.00 1.00 H new ATOM 0 HG22 VAL A 26 -12.480 7.389 1.396 1.00 1.00 H new ATOM 0 HG23 VAL A 26 -13.479 7.776 -0.025 1.00 1.00 H new ATOM 414 N GLN A 27 -11.763 3.995 1.770 1.00 1.00 N ATOM 415 CA GLN A 27 -10.559 3.794 2.537 1.00 1.00 C ATOM 416 C GLN A 27 -9.603 2.916 1.760 1.00 1.00 C ATOM 417 O GLN A 27 -8.394 3.060 1.862 1.00 1.00 O ATOM 418 CB GLN A 27 -10.866 3.211 3.904 1.00 1.00 C ATOM 419 CG GLN A 27 -9.625 3.119 4.770 1.00 1.00 C ATOM 420 CD GLN A 27 -9.872 2.472 6.113 1.00 1.00 C ATOM 421 OE1 GLN A 27 -11.071 2.612 6.643 1.00 1.00 O flip ATOM 422 NE2 GLN A 27 -8.985 1.853 6.681 1.00 1.00 N flip ATOM 0 H GLN A 27 -12.548 3.401 2.039 1.00 1.00 H new ATOM 0 HA GLN A 27 -10.084 4.760 2.707 1.00 1.00 H new ATOM 0 HB2 GLN A 27 -11.612 3.829 4.403 1.00 1.00 H new ATOM 0 HB3 GLN A 27 -11.301 2.219 3.786 1.00 1.00 H new ATOM 0 HG2 GLN A 27 -8.862 2.552 4.238 1.00 1.00 H new ATOM 0 HG3 GLN A 27 -9.226 4.121 4.927 1.00 1.00 H new ATOM 0 HE21 GLN A 27 -8.067 1.762 6.245 1.00 1.00 H new ATOM 0 HE22 GLN A 27 -9.162 1.427 7.591 1.00 1.00 H new ATOM 431 N VAL A 28 -10.156 1.999 0.980 1.00 1.00 N ATOM 432 CA VAL A 28 -9.336 1.166 0.130 1.00 1.00 C ATOM 433 C VAL A 28 -8.670 2.067 -0.909 1.00 1.00 C ATOM 434 O VAL A 28 -7.544 1.827 -1.343 1.00 1.00 O ATOM 435 CB VAL A 28 -10.147 0.062 -0.569 1.00 1.00 C ATOM 436 CG1 VAL A 28 -9.232 -0.883 -1.336 1.00 1.00 C ATOM 437 CG2 VAL A 28 -10.982 -0.709 0.440 1.00 1.00 C ATOM 0 H VAL A 28 -11.158 1.818 0.922 1.00 1.00 H new ATOM 0 HA VAL A 28 -8.593 0.660 0.746 1.00 1.00 H new ATOM 0 HB VAL A 28 -10.819 0.538 -1.283 1.00 1.00 H new ATOM 0 HG11 VAL A 28 -9.830 -1.654 -1.821 1.00 1.00 H new ATOM 0 HG12 VAL A 28 -8.681 -0.323 -2.091 1.00 1.00 H new ATOM 0 HG13 VAL A 28 -8.529 -1.349 -0.645 1.00 1.00 H new ATOM 0 HG21 VAL A 28 -11.548 -1.486 -0.074 1.00 1.00 H new ATOM 0 HG22 VAL A 28 -10.326 -1.168 1.180 1.00 1.00 H new ATOM 0 HG23 VAL A 28 -11.671 -0.027 0.939 1.00 1.00 H new ATOM 447 N ALA A 29 -9.378 3.131 -1.283 1.00 1.00 N ATOM 448 CA ALA A 29 -8.848 4.105 -2.222 1.00 1.00 C ATOM 449 C ALA A 29 -7.666 4.829 -1.592 1.00 1.00 C ATOM 450 O ALA A 29 -6.596 4.930 -2.184 1.00 1.00 O ATOM 451 CB ALA A 29 -9.914 5.114 -2.626 1.00 1.00 C ATOM 0 H ALA A 29 -10.319 3.336 -0.948 1.00 1.00 H new ATOM 0 HA ALA A 29 -8.522 3.577 -3.118 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -9.489 5.830 -3.329 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -10.748 4.594 -3.098 1.00 1.00 H new ATOM 0 HB3 ALA A 29 -10.270 5.642 -1.741 1.00 1.00 H new ATOM 457 N LEU A 30 -7.849 5.289 -0.361 1.00 1.00 N ATOM 458 CA LEU A 30 -6.781 5.999 0.328 1.00 1.00 C ATOM 459 C LEU A 30 -5.672 5.033 0.769 1.00 1.00 C ATOM 460 O LEU A 30 -4.505 5.412 0.855 1.00 1.00 O ATOM 461 CB LEU A 30 -7.337 6.841 1.497 1.00 1.00 C ATOM 462 CG LEU A 30 -7.827 6.096 2.757 1.00 1.00 C ATOM 463 CD1 LEU A 30 -6.680 5.763 3.708 1.00 1.00 C ATOM 464 CD2 LEU A 30 -8.873 6.944 3.478 1.00 1.00 C ATOM 0 H LEU A 30 -8.712 5.186 0.173 1.00 1.00 H new ATOM 0 HA LEU A 30 -6.326 6.700 -0.372 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -6.560 7.541 1.804 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -8.168 7.435 1.116 1.00 1.00 H new ATOM 0 HG LEU A 30 -8.269 5.153 2.436 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -7.071 5.239 4.580 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -5.957 5.127 3.197 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -6.192 6.684 4.026 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -9.218 6.417 4.367 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -8.431 7.897 3.769 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -9.717 7.124 2.812 1.00 1.00 H new ATOM 476 N LEU A 31 -6.031 3.775 1.001 1.00 1.00 N ATOM 477 CA LEU A 31 -5.066 2.765 1.397 1.00 1.00 C ATOM 478 C LEU A 31 -4.141 2.479 0.196 1.00 1.00 C ATOM 479 O LEU A 31 -2.918 2.438 0.325 1.00 1.00 O ATOM 480 CB LEU A 31 -5.820 1.537 1.973 1.00 1.00 C ATOM 481 CG LEU A 31 -6.120 0.313 1.063 1.00 1.00 C ATOM 482 CD1 LEU A 31 -4.867 -0.446 0.670 1.00 1.00 C ATOM 483 CD2 LEU A 31 -7.070 -0.627 1.792 1.00 1.00 C ATOM 0 H LEU A 31 -6.989 3.433 0.920 1.00 1.00 H new ATOM 0 HA LEU A 31 -4.413 3.098 2.203 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -5.246 1.174 2.825 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -6.774 1.895 2.360 1.00 1.00 H new ATOM 0 HG LEU A 31 -6.571 0.690 0.145 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -5.137 -1.290 0.035 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -4.195 0.218 0.125 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -4.367 -0.812 1.567 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -7.286 -1.489 1.160 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -6.608 -0.964 2.720 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -7.998 -0.102 2.019 1.00 1.00 H new ATOM 495 N THR A 32 -4.739 2.374 -0.985 1.00 1.00 N ATOM 496 CA THR A 32 -3.982 2.157 -2.219 1.00 1.00 C ATOM 497 C THR A 32 -3.210 3.436 -2.586 1.00 1.00 C ATOM 498 O THR A 32 -2.078 3.379 -3.069 1.00 1.00 O ATOM 499 CB THR A 32 -4.925 1.741 -3.366 1.00 1.00 C ATOM 500 OG1 THR A 32 -5.627 0.541 -2.996 1.00 1.00 O ATOM 501 CG2 THR A 32 -4.171 1.501 -4.663 1.00 1.00 C ATOM 0 H THR A 32 -5.748 2.435 -1.117 1.00 1.00 H new ATOM 0 HA THR A 32 -3.268 1.349 -2.060 1.00 1.00 H new ATOM 0 HB THR A 32 -5.626 2.558 -3.533 1.00 1.00 H new ATOM 0 HG1 THR A 32 -6.376 0.769 -2.407 1.00 1.00 H new ATOM 0 HG21 THR A 32 -4.874 1.210 -5.444 1.00 1.00 H new ATOM 0 HG22 THR A 32 -3.657 2.415 -4.960 1.00 1.00 H new ATOM 0 HG23 THR A 32 -3.441 0.705 -4.517 1.00 1.00 H new ATOM 509 N LEU A 33 -3.833 4.591 -2.326 1.00 1.00 N ATOM 510 CA LEU A 33 -3.216 5.903 -2.569 1.00 1.00 C ATOM 511 C LEU A 33 -1.899 5.999 -1.792 1.00 1.00 C ATOM 512 O LEU A 33 -0.857 6.312 -2.366 1.00 1.00 O ATOM 513 CB LEU A 33 -4.199 7.018 -2.131 1.00 1.00 C ATOM 514 CG LEU A 33 -3.897 8.491 -2.521 1.00 1.00 C ATOM 515 CD1 LEU A 33 -2.657 9.044 -1.828 1.00 1.00 C ATOM 516 CD2 LEU A 33 -3.785 8.662 -4.027 1.00 1.00 C ATOM 0 H LEU A 33 -4.777 4.644 -1.942 1.00 1.00 H new ATOM 0 HA LEU A 33 -3.000 6.026 -3.630 1.00 1.00 H new ATOM 0 HB2 LEU A 33 -5.180 6.767 -2.533 1.00 1.00 H new ATOM 0 HB3 LEU A 33 -4.280 6.976 -1.045 1.00 1.00 H new ATOM 0 HG LEU A 33 -4.749 9.073 -2.170 1.00 1.00 H new ATOM 0 HD11 LEU A 33 -2.496 10.076 -2.139 1.00 1.00 H new ATOM 0 HD12 LEU A 33 -2.798 9.008 -0.748 1.00 1.00 H new ATOM 0 HD13 LEU A 33 -1.789 8.443 -2.101 1.00 1.00 H new ATOM 0 HD21 LEU A 33 -3.573 9.706 -4.260 1.00 1.00 H new ATOM 0 HD22 LEU A 33 -2.978 8.035 -4.405 1.00 1.00 H new ATOM 0 HD23 LEU A 33 -4.723 8.368 -4.497 1.00 1.00 H new ATOM 528 N ARG A 34 -1.924 5.692 -0.491 1.00 1.00 N ATOM 529 CA ARG A 34 -0.694 5.776 0.290 1.00 1.00 C ATOM 530 C ARG A 34 0.306 4.658 -0.074 1.00 1.00 C ATOM 531 O ARG A 34 1.510 4.830 0.106 1.00 1.00 O ATOM 532 CB ARG A 34 -0.940 5.908 1.806 1.00 1.00 C ATOM 533 CG ARG A 34 -1.877 4.898 2.463 1.00 1.00 C ATOM 534 CD ARG A 34 -2.061 5.246 3.951 1.00 1.00 C ATOM 535 NE ARG A 34 -3.043 4.392 4.645 1.00 1.00 N ATOM 536 CZ ARG A 34 -3.055 4.176 5.944 1.00 1.00 C ATOM 537 NH1 ARG A 34 -2.130 4.665 6.705 1.00 1.00 N ATOM 538 NH2 ARG A 34 -3.997 3.454 6.476 1.00 1.00 N ATOM 0 H ARG A 34 -2.752 5.394 0.025 1.00 1.00 H new ATOM 0 HA ARG A 34 -0.217 6.713 0.004 1.00 1.00 H new ATOM 0 HB2 ARG A 34 0.025 5.847 2.309 1.00 1.00 H new ATOM 0 HB3 ARG A 34 -1.336 6.906 1.996 1.00 1.00 H new ATOM 0 HG2 ARG A 34 -2.843 4.902 1.957 1.00 1.00 H new ATOM 0 HG3 ARG A 34 -1.469 3.892 2.363 1.00 1.00 H new ATOM 0 HD2 ARG A 34 -1.099 5.161 4.456 1.00 1.00 H new ATOM 0 HD3 ARG A 34 -2.375 6.286 4.035 1.00 1.00 H new ATOM 0 HE ARG A 34 -3.761 3.938 4.081 1.00 1.00 H new ATOM 0 HH11 ARG A 34 -1.380 5.225 6.300 1.00 1.00 H new ATOM 0 HH12 ARG A 34 -2.151 4.490 7.710 1.00 1.00 H new ATOM 0 HH21 ARG A 34 -4.728 3.054 5.887 1.00 1.00 H new ATOM 0 HH22 ARG A 34 -4.005 3.287 7.482 1.00 1.00 H new ATOM 552 N ILE A 35 -0.171 3.520 -0.592 1.00 1.00 N ATOM 553 CA ILE A 35 0.748 2.470 -1.058 1.00 1.00 C ATOM 554 C ILE A 35 1.453 2.974 -2.328 1.00 1.00 C ATOM 555 O ILE A 35 2.649 2.763 -2.521 1.00 1.00 O ATOM 556 CB ILE A 35 0.030 1.125 -1.342 1.00 1.00 C ATOM 557 CG1 ILE A 35 -0.490 0.529 -0.031 1.00 1.00 C ATOM 558 CG2 ILE A 35 0.965 0.136 -2.038 1.00 1.00 C ATOM 559 CD1 ILE A 35 -1.269 -0.759 -0.203 1.00 1.00 C ATOM 0 H ILE A 35 -1.162 3.303 -0.699 1.00 1.00 H new ATOM 0 HA ILE A 35 1.469 2.270 -0.265 1.00 1.00 H new ATOM 0 HB ILE A 35 -0.810 1.318 -2.009 1.00 1.00 H new ATOM 0 HG12 ILE A 35 0.355 0.344 0.632 1.00 1.00 H new ATOM 0 HG13 ILE A 35 -1.127 1.263 0.462 1.00 1.00 H new ATOM 0 HG21 ILE A 35 0.434 -0.797 -2.224 1.00 1.00 H new ATOM 0 HG22 ILE A 35 1.301 0.558 -2.985 1.00 1.00 H new ATOM 0 HG23 ILE A 35 1.828 -0.058 -1.401 1.00 1.00 H new ATOM 0 HD11 ILE A 35 -1.602 -1.116 0.772 1.00 1.00 H new ATOM 0 HD12 ILE A 35 -2.136 -0.578 -0.839 1.00 1.00 H new ATOM 0 HD13 ILE A 35 -0.630 -1.511 -0.666 1.00 1.00 H new ATOM 571 N ASN A 36 0.706 3.676 -3.185 1.00 1.00 N ATOM 572 CA ASN A 36 1.290 4.254 -4.397 1.00 1.00 C ATOM 573 C ASN A 36 2.195 5.436 -4.009 1.00 1.00 C ATOM 574 O ASN A 36 3.228 5.671 -4.627 1.00 1.00 O ATOM 575 CB ASN A 36 0.204 4.707 -5.377 1.00 1.00 C ATOM 576 CG ASN A 36 0.778 5.100 -6.723 1.00 1.00 C ATOM 577 OD1 ASN A 36 1.797 4.578 -7.152 1.00 1.00 O ATOM 578 ND2 ASN A 36 0.129 6.025 -7.401 1.00 1.00 N ATOM 0 H ASN A 36 -0.291 3.856 -3.064 1.00 1.00 H new ATOM 0 HA ASN A 36 1.883 3.490 -4.899 1.00 1.00 H new ATOM 0 HB2 ASN A 36 -0.519 3.903 -5.513 1.00 1.00 H new ATOM 0 HB3 ASN A 36 -0.336 5.553 -4.953 1.00 1.00 H new ATOM 0 HD21 ASN A 36 0.474 6.326 -8.313 1.00 1.00 H new ATOM 0 HD22 ASN A 36 -0.718 6.440 -7.014 1.00 1.00 H new ATOM 585 N ARG A 37 1.794 6.170 -2.960 1.00 1.00 N ATOM 586 CA ARG A 37 2.583 7.295 -2.440 1.00 1.00 C ATOM 587 C ARG A 37 3.939 6.762 -2.018 1.00 1.00 C ATOM 588 O ARG A 37 4.991 7.325 -2.328 1.00 1.00 O ATOM 589 CB ARG A 37 1.879 7.913 -1.216 1.00 1.00 C ATOM 590 CG ARG A 37 2.638 9.051 -0.533 1.00 1.00 C ATOM 591 CD ARG A 37 3.065 10.120 -1.530 1.00 1.00 C ATOM 592 NE ARG A 37 1.957 10.520 -2.408 1.00 1.00 N ATOM 593 CZ ARG A 37 2.060 10.640 -3.706 1.00 1.00 C ATOM 594 NH1 ARG A 37 3.214 10.565 -4.278 1.00 1.00 N ATOM 595 NH2 ARG A 37 1.001 10.866 -4.420 1.00 1.00 N ATOM 0 H ARG A 37 0.924 6.003 -2.454 1.00 1.00 H new ATOM 0 HA ARG A 37 2.690 8.061 -3.208 1.00 1.00 H new ATOM 0 HB2 ARG A 37 0.903 8.285 -1.528 1.00 1.00 H new ATOM 0 HB3 ARG A 37 1.701 7.126 -0.484 1.00 1.00 H new ATOM 0 HG2 ARG A 37 2.008 9.500 0.235 1.00 1.00 H new ATOM 0 HG3 ARG A 37 3.518 8.651 -0.029 1.00 1.00 H new ATOM 0 HD2 ARG A 37 3.435 10.992 -0.991 1.00 1.00 H new ATOM 0 HD3 ARG A 37 3.891 9.744 -2.135 1.00 1.00 H new ATOM 0 HE ARG A 37 1.053 10.716 -1.979 1.00 1.00 H new ATOM 0 HH11 ARG A 37 4.052 10.411 -3.717 1.00 1.00 H new ATOM 0 HH12 ARG A 37 3.288 10.659 -5.291 1.00 1.00 H new ATOM 0 HH21 ARG A 37 0.090 10.950 -3.969 1.00 1.00 H new ATOM 0 HH22 ARG A 37 1.079 10.960 -5.433 1.00 1.00 H new ATOM 609 N LEU A 38 3.877 5.636 -1.318 1.00 1.00 N ATOM 610 CA LEU A 38 5.044 4.956 -0.837 1.00 1.00 C ATOM 611 C LEU A 38 5.911 4.506 -2.005 1.00 1.00 C ATOM 612 O LEU A 38 7.109 4.743 -2.024 1.00 1.00 O ATOM 613 CB LEU A 38 4.596 3.754 -0.011 1.00 1.00 C ATOM 614 CG LEU A 38 5.720 2.920 0.598 1.00 1.00 C ATOM 615 CD1 LEU A 38 6.507 3.728 1.620 1.00 1.00 C ATOM 616 CD2 LEU A 38 5.149 1.668 1.237 1.00 1.00 C ATOM 0 H LEU A 38 3.001 5.175 -1.073 1.00 1.00 H new ATOM 0 HA LEU A 38 5.638 5.628 -0.218 1.00 1.00 H new ATOM 0 HB2 LEU A 38 3.952 4.108 0.794 1.00 1.00 H new ATOM 0 HB3 LEU A 38 3.988 3.107 -0.643 1.00 1.00 H new ATOM 0 HG LEU A 38 6.405 2.630 -0.199 1.00 1.00 H new ATOM 0 HD11 LEU A 38 7.302 3.110 2.038 1.00 1.00 H new ATOM 0 HD12 LEU A 38 6.943 4.601 1.135 1.00 1.00 H new ATOM 0 HD13 LEU A 38 5.840 4.052 2.419 1.00 1.00 H new ATOM 0 HD21 LEU A 38 5.958 1.079 1.669 1.00 1.00 H new ATOM 0 HD22 LEU A 38 4.445 1.948 2.021 1.00 1.00 H new ATOM 0 HD23 LEU A 38 4.633 1.076 0.481 1.00 1.00 H new ATOM 628 N SER A 39 5.286 3.887 -2.992 1.00 1.00 N ATOM 629 CA SER A 39 6.003 3.408 -4.170 1.00 1.00 C ATOM 630 C SER A 39 6.608 4.567 -4.981 1.00 1.00 C ATOM 631 O SER A 39 7.718 4.456 -5.492 1.00 1.00 O ATOM 632 CB SER A 39 5.067 2.570 -5.044 1.00 1.00 C ATOM 633 OG SER A 39 4.506 1.496 -4.302 1.00 1.00 O ATOM 0 H SER A 39 4.283 3.702 -3.005 1.00 1.00 H new ATOM 0 HA SER A 39 6.831 2.785 -3.830 1.00 1.00 H new ATOM 0 HB2 SER A 39 4.270 3.200 -5.438 1.00 1.00 H new ATOM 0 HB3 SER A 39 5.616 2.178 -5.900 1.00 1.00 H new ATOM 0 HG SER A 39 3.842 1.846 -3.672 1.00 1.00 H new ATOM 639 N GLU A 40 5.900 5.692 -5.062 1.00 1.00 N ATOM 640 CA GLU A 40 6.395 6.865 -5.802 1.00 1.00 C ATOM 641 C GLU A 40 7.520 7.538 -4.997 1.00 1.00 C ATOM 642 O GLU A 40 8.332 8.307 -5.519 1.00 1.00 O ATOM 643 CB GLU A 40 5.228 7.815 -6.083 1.00 1.00 C ATOM 644 CG GLU A 40 5.543 8.932 -7.063 1.00 1.00 C ATOM 645 CD GLU A 40 4.310 9.752 -7.399 1.00 1.00 C ATOM 646 OE1 GLU A 40 3.561 9.355 -8.314 1.00 1.00 O ATOM 647 OE2 GLU A 40 4.074 10.781 -6.723 1.00 1.00 O ATOM 0 H GLU A 40 4.986 5.822 -4.629 1.00 1.00 H new ATOM 0 HA GLU A 40 6.814 6.567 -6.763 1.00 1.00 H new ATOM 0 HB2 GLU A 40 4.390 7.235 -6.470 1.00 1.00 H new ATOM 0 HB3 GLU A 40 4.902 8.257 -5.142 1.00 1.00 H new ATOM 0 HG2 GLU A 40 6.308 9.583 -6.639 1.00 1.00 H new ATOM 0 HG3 GLU A 40 5.957 8.507 -7.977 1.00 1.00 H new ATOM 654 N HIS A 41 7.554 7.203 -3.706 1.00 1.00 N ATOM 655 CA HIS A 41 8.579 7.664 -2.785 1.00 1.00 C ATOM 656 C HIS A 41 9.781 6.712 -2.910 1.00 1.00 C ATOM 657 O HIS A 41 10.936 7.121 -2.814 1.00 1.00 O ATOM 658 CB HIS A 41 7.974 7.678 -1.372 1.00 1.00 C ATOM 659 CG HIS A 41 8.927 7.909 -0.235 1.00 1.00 C ATOM 660 ND1 HIS A 41 9.321 9.155 0.206 1.00 1.00 N ATOM 661 CD2 HIS A 41 9.502 7.017 0.611 1.00 1.00 C ATOM 662 CE1 HIS A 41 10.098 8.983 1.287 1.00 1.00 C ATOM 663 NE2 HIS A 41 10.236 7.706 1.570 1.00 1.00 N ATOM 0 H HIS A 41 6.859 6.596 -3.271 1.00 1.00 H new ATOM 0 HA HIS A 41 8.925 8.673 -3.007 1.00 1.00 H new ATOM 0 HB2 HIS A 41 7.208 8.453 -1.337 1.00 1.00 H new ATOM 0 HB3 HIS A 41 7.471 6.725 -1.207 1.00 1.00 H new ATOM 0 HD1 HIS A 41 9.067 10.049 -0.215 1.00 1.00 H new ATOM 0 HD2 HIS A 41 9.405 5.943 0.549 1.00 1.00 H new ATOM 0 HE1 HIS A 41 10.550 9.787 1.850 1.00 1.00 H new ATOM 671 N LEU A 42 9.481 5.432 -3.160 1.00 1.00 N ATOM 672 CA LEU A 42 10.511 4.412 -3.378 1.00 1.00 C ATOM 673 C LEU A 42 11.201 4.658 -4.718 1.00 1.00 C ATOM 674 O LEU A 42 12.271 4.133 -4.989 1.00 1.00 O ATOM 675 CB LEU A 42 9.900 3.013 -3.389 1.00 1.00 C ATOM 676 CG LEU A 42 9.112 2.633 -2.140 1.00 1.00 C ATOM 677 CD1 LEU A 42 8.543 1.236 -2.288 1.00 1.00 C ATOM 678 CD2 LEU A 42 9.982 2.726 -0.896 1.00 1.00 C ATOM 0 H LEU A 42 8.526 5.077 -3.216 1.00 1.00 H new ATOM 0 HA LEU A 42 11.232 4.478 -2.563 1.00 1.00 H new ATOM 0 HB2 LEU A 42 9.241 2.930 -4.253 1.00 1.00 H new ATOM 0 HB3 LEU A 42 10.701 2.286 -3.528 1.00 1.00 H new ATOM 0 HG LEU A 42 8.289 3.338 -2.026 1.00 1.00 H new ATOM 0 HD11 LEU A 42 7.982 0.975 -1.391 1.00 1.00 H new ATOM 0 HD12 LEU A 42 7.880 1.203 -3.153 1.00 1.00 H new ATOM 0 HD13 LEU A 42 9.357 0.524 -2.427 1.00 1.00 H new ATOM 0 HD21 LEU A 42 9.395 2.450 -0.020 1.00 1.00 H new ATOM 0 HD22 LEU A 42 10.830 2.048 -0.993 1.00 1.00 H new ATOM 0 HD23 LEU A 42 10.346 3.747 -0.782 1.00 1.00 H new ATOM 690 N LYS A 43 10.552 5.427 -5.587 1.00 1.00 N ATOM 691 CA LYS A 43 11.159 5.762 -6.870 1.00 1.00 C ATOM 692 C LYS A 43 11.982 7.040 -6.743 1.00 1.00 C ATOM 693 O LYS A 43 12.444 7.627 -7.721 1.00 1.00 O ATOM 694 CB LYS A 43 10.125 5.811 -7.986 1.00 1.00 C ATOM 695 CG LYS A 43 9.506 4.441 -8.229 1.00 1.00 C ATOM 696 CD LYS A 43 10.588 3.398 -8.489 1.00 1.00 C ATOM 697 CE LYS A 43 10.020 2.004 -8.680 1.00 1.00 C ATOM 698 NZ LYS A 43 11.110 0.994 -8.764 1.00 1.00 N ATOM 0 H LYS A 43 9.625 5.823 -5.431 1.00 1.00 H new ATOM 0 HA LYS A 43 11.849 4.968 -7.155 1.00 1.00 H new ATOM 0 HB2 LYS A 43 9.343 6.525 -7.728 1.00 1.00 H new ATOM 0 HB3 LYS A 43 10.594 6.168 -8.903 1.00 1.00 H new ATOM 0 HG2 LYS A 43 8.911 4.147 -7.364 1.00 1.00 H new ATOM 0 HG3 LYS A 43 8.828 4.489 -9.081 1.00 1.00 H new ATOM 0 HD2 LYS A 43 11.154 3.681 -9.377 1.00 1.00 H new ATOM 0 HD3 LYS A 43 11.288 3.390 -7.654 1.00 1.00 H new ATOM 0 HE2 LYS A 43 9.356 1.761 -7.850 1.00 1.00 H new ATOM 0 HE3 LYS A 43 9.419 1.973 -9.589 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 10.698 0.048 -8.895 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 11.728 1.217 -9.570 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 11.667 1.011 -7.886 1.00 1.00 H new ATOM 712 N VAL A 44 12.124 7.463 -5.496 1.00 1.00 N ATOM 713 CA VAL A 44 12.977 8.572 -5.124 1.00 1.00 C ATOM 714 C VAL A 44 14.128 7.930 -4.352 1.00 1.00 C ATOM 715 O VAL A 44 15.305 8.216 -4.572 1.00 1.00 O ATOM 716 CB VAL A 44 12.252 9.616 -4.248 1.00 1.00 C ATOM 717 CG1 VAL A 44 13.212 10.712 -3.811 1.00 1.00 C ATOM 718 CG2 VAL A 44 11.070 10.214 -4.995 1.00 1.00 C ATOM 0 H VAL A 44 11.641 7.036 -4.705 1.00 1.00 H new ATOM 0 HA VAL A 44 13.307 9.123 -6.005 1.00 1.00 H new ATOM 0 HB VAL A 44 11.878 9.111 -3.357 1.00 1.00 H new ATOM 0 HG11 VAL A 44 12.680 11.437 -3.195 1.00 1.00 H new ATOM 0 HG12 VAL A 44 14.026 10.274 -3.234 1.00 1.00 H new ATOM 0 HG13 VAL A 44 13.618 11.212 -4.690 1.00 1.00 H new ATOM 0 HG21 VAL A 44 10.572 10.947 -4.361 1.00 1.00 H new ATOM 0 HG22 VAL A 44 11.423 10.701 -5.904 1.00 1.00 H new ATOM 0 HG23 VAL A 44 10.367 9.423 -5.256 1.00 1.00 H new ATOM 728 N HIS A 45 13.742 7.015 -3.454 1.00 1.00 N ATOM 729 CA HIS A 45 14.686 6.220 -2.677 1.00 1.00 C ATOM 730 C HIS A 45 15.441 5.267 -3.602 1.00 1.00 C ATOM 731 O HIS A 45 14.923 4.230 -3.998 1.00 1.00 O ATOM 732 CB HIS A 45 13.949 5.398 -1.614 1.00 1.00 C ATOM 733 CG HIS A 45 13.754 6.104 -0.311 1.00 1.00 C ATOM 734 ND1 HIS A 45 13.168 5.523 0.789 1.00 1.00 N ATOM 735 CD2 HIS A 45 14.089 7.363 0.064 1.00 1.00 C ATOM 736 CE1 HIS A 45 13.168 6.424 1.780 1.00 1.00 C ATOM 737 NE2 HIS A 45 13.716 7.557 1.390 1.00 1.00 N ATOM 0 H HIS A 45 12.764 6.809 -3.250 1.00 1.00 H new ATOM 0 HA HIS A 45 15.385 6.898 -2.187 1.00 1.00 H new ATOM 0 HB2 HIS A 45 12.974 5.110 -2.007 1.00 1.00 H new ATOM 0 HB3 HIS A 45 14.505 4.477 -1.435 1.00 1.00 H new ATOM 0 HD2 HIS A 45 14.569 8.098 -0.566 1.00 1.00 H new ATOM 0 HE1 HIS A 45 12.771 6.245 2.768 1.00 1.00 H new ATOM 0 HE2 HIS A 45 13.841 8.403 1.946 1.00 1.00 H new ATOM 745 N LYS A 46 16.665 5.618 -3.949 1.00 1.00 N ATOM 746 CA LYS A 46 17.464 4.775 -4.836 1.00 1.00 C ATOM 747 C LYS A 46 17.988 3.551 -4.086 1.00 1.00 C ATOM 748 O LYS A 46 18.351 2.544 -4.679 1.00 1.00 O ATOM 749 CB LYS A 46 18.604 5.588 -5.449 1.00 1.00 C ATOM 750 CG LYS A 46 18.103 6.734 -6.325 1.00 1.00 C ATOM 751 CD LYS A 46 19.240 7.515 -6.973 1.00 1.00 C ATOM 752 CE LYS A 46 20.061 6.661 -7.934 1.00 1.00 C ATOM 753 NZ LYS A 46 19.234 6.071 -9.026 1.00 1.00 N ATOM 0 H LYS A 46 17.129 6.471 -3.637 1.00 1.00 H new ATOM 0 HA LYS A 46 16.832 4.416 -5.648 1.00 1.00 H new ATOM 0 HB2 LYS A 46 19.228 5.991 -4.651 1.00 1.00 H new ATOM 0 HB3 LYS A 46 19.236 4.929 -6.045 1.00 1.00 H new ATOM 0 HG2 LYS A 46 17.452 6.335 -7.103 1.00 1.00 H new ATOM 0 HG3 LYS A 46 17.500 7.411 -5.721 1.00 1.00 H new ATOM 0 HD2 LYS A 46 18.829 8.369 -7.511 1.00 1.00 H new ATOM 0 HD3 LYS A 46 19.893 7.912 -6.196 1.00 1.00 H new ATOM 0 HE2 LYS A 46 20.852 7.271 -8.371 1.00 1.00 H new ATOM 0 HE3 LYS A 46 20.547 5.859 -7.378 1.00 1.00 H new ATOM 0 HZ1 LYS A 46 19.857 5.644 -9.741 1.00 1.00 H new ATOM 0 HZ2 LYS A 46 18.608 5.340 -8.631 1.00 1.00 H new ATOM 0 HZ3 LYS A 46 18.659 6.817 -9.468 1.00 1.00 H new ATOM 767 N LYS A 47 18.040 3.672 -2.771 1.00 1.00 N ATOM 768 CA LYS A 47 18.460 2.575 -1.907 1.00 1.00 C ATOM 769 C LYS A 47 17.240 1.678 -1.589 1.00 1.00 C ATOM 770 O LYS A 47 17.376 0.598 -1.012 1.00 1.00 O ATOM 771 CB LYS A 47 19.033 3.167 -0.611 1.00 1.00 C ATOM 772 CG LYS A 47 19.789 2.169 0.251 1.00 1.00 C ATOM 773 CD LYS A 47 20.080 2.714 1.649 1.00 1.00 C ATOM 774 CE LYS A 47 20.920 3.993 1.637 1.00 1.00 C ATOM 775 NZ LYS A 47 22.296 3.780 1.099 1.00 1.00 N ATOM 0 H LYS A 47 17.795 4.527 -2.271 1.00 1.00 H new ATOM 0 HA LYS A 47 19.221 1.971 -2.401 1.00 1.00 H new ATOM 0 HB2 LYS A 47 19.701 3.990 -0.865 1.00 1.00 H new ATOM 0 HB3 LYS A 47 18.216 3.589 -0.026 1.00 1.00 H new ATOM 0 HG2 LYS A 47 19.207 1.251 0.335 1.00 1.00 H new ATOM 0 HG3 LYS A 47 20.728 1.908 -0.238 1.00 1.00 H new ATOM 0 HD2 LYS A 47 19.137 2.912 2.158 1.00 1.00 H new ATOM 0 HD3 LYS A 47 20.601 1.951 2.228 1.00 1.00 H new ATOM 0 HE2 LYS A 47 20.414 4.748 1.036 1.00 1.00 H new ATOM 0 HE3 LYS A 47 20.989 4.386 2.651 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 22.818 4.679 1.115 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 22.794 3.080 1.686 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 22.236 3.432 0.121 1.00 1.00 H new ATOM 789 N ASP A 48 16.053 2.183 -1.985 1.00 1.00 N ATOM 790 CA ASP A 48 14.723 1.556 -1.758 1.00 1.00 C ATOM 791 C ASP A 48 14.320 1.623 -0.273 1.00 1.00 C ATOM 792 O ASP A 48 13.170 1.918 0.068 1.00 1.00 O ATOM 793 CB ASP A 48 14.627 0.098 -2.228 1.00 1.00 C ATOM 794 CG ASP A 48 14.785 -0.076 -3.726 1.00 1.00 C ATOM 795 OD1 ASP A 48 13.992 0.530 -4.487 1.00 1.00 O ATOM 796 OD2 ASP A 48 15.673 -0.853 -4.139 1.00 1.00 O ATOM 0 H ASP A 48 15.986 3.067 -2.489 1.00 1.00 H new ATOM 0 HA ASP A 48 14.035 2.141 -2.368 1.00 1.00 H new ATOM 0 HB2 ASP A 48 15.394 -0.488 -1.721 1.00 1.00 H new ATOM 0 HB3 ASP A 48 13.662 -0.309 -1.925 1.00 1.00 H new ATOM 801 N HIS A 49 15.283 1.334 0.598 1.00 1.00 N ATOM 802 CA HIS A 49 15.092 1.337 2.047 1.00 1.00 C ATOM 803 C HIS A 49 14.169 0.193 2.505 1.00 1.00 C ATOM 804 O HIS A 49 13.747 -0.656 1.719 1.00 1.00 O ATOM 805 CB HIS A 49 14.592 2.704 2.554 1.00 1.00 C ATOM 806 CG HIS A 49 15.701 3.696 2.743 1.00 1.00 C ATOM 807 ND1 HIS A 49 16.197 4.076 3.973 1.00 1.00 N ATOM 808 CD2 HIS A 49 16.430 4.379 1.823 1.00 1.00 C ATOM 809 CE1 HIS A 49 17.185 4.955 3.765 1.00 1.00 C ATOM 810 NE2 HIS A 49 17.368 5.170 2.478 1.00 1.00 N ATOM 0 H HIS A 49 16.231 1.088 0.314 1.00 1.00 H new ATOM 0 HA HIS A 49 16.069 1.162 2.497 1.00 1.00 H new ATOM 0 HB2 HIS A 49 13.868 3.106 1.845 1.00 1.00 H new ATOM 0 HB3 HIS A 49 14.069 2.566 3.500 1.00 1.00 H new ATOM 0 HD2 HIS A 49 16.302 4.318 0.752 1.00 1.00 H new ATOM 0 HE1 HIS A 49 17.758 5.427 4.550 1.00 1.00 H new ATOM 0 HE2 HIS A 49 18.056 5.789 2.050 1.00 1.00 H new ATOM 818 N HIS A 50 13.851 0.176 3.784 1.00 1.00 N ATOM 819 CA HIS A 50 13.007 -0.881 4.350 1.00 1.00 C ATOM 820 C HIS A 50 11.573 -0.398 4.460 1.00 1.00 C ATOM 821 O HIS A 50 10.742 -0.964 5.168 1.00 1.00 O ATOM 822 CB HIS A 50 13.532 -1.281 5.723 1.00 1.00 C ATOM 823 CG HIS A 50 14.984 -1.647 5.726 1.00 1.00 C ATOM 824 ND1 HIS A 50 15.682 -2.467 4.900 1.00 1.00 N flip ATOM 825 CD2 HIS A 50 15.895 -1.161 6.635 1.00 1.00 C flip ATOM 826 CE1 HIS A 50 17.014 -2.484 5.296 1.00 1.00 C flip ATOM 827 NE2 HIS A 50 17.092 -1.684 6.340 1.00 1.00 N flip ATOM 0 H HIS A 50 14.159 0.877 4.458 1.00 1.00 H new ATOM 0 HA HIS A 50 13.035 -1.750 3.692 1.00 1.00 H new ATOM 0 HB2 HIS A 50 13.372 -0.457 6.418 1.00 1.00 H new ATOM 0 HB3 HIS A 50 12.952 -2.127 6.092 1.00 1.00 H new ATOM 0 HD2 HIS A 50 15.682 -0.478 7.444 1.00 1.00 H new ATOM 0 HE1 HIS A 50 17.821 -3.040 4.841 1.00 1.00 H new ATOM 0 HE2 HIS A 50 17.950 -1.489 6.855 1.00 1.00 H new ATOM 835 N SER A 51 11.304 0.633 3.702 1.00 1.00 N ATOM 836 CA SER A 51 10.021 1.296 3.677 1.00 1.00 C ATOM 837 C SER A 51 8.868 0.395 3.229 1.00 1.00 C ATOM 838 O SER A 51 7.902 0.206 3.962 1.00 1.00 O ATOM 839 CB SER A 51 10.147 2.483 2.735 1.00 1.00 C ATOM 840 OG SER A 51 11.328 3.219 3.023 1.00 1.00 O ATOM 0 H SER A 51 11.987 1.047 3.068 1.00 1.00 H new ATOM 0 HA SER A 51 9.774 1.600 4.694 1.00 1.00 H new ATOM 0 HB2 SER A 51 10.170 2.135 1.702 1.00 1.00 H new ATOM 0 HB3 SER A 51 9.275 3.129 2.834 1.00 1.00 H new ATOM 0 HG SER A 51 11.398 3.979 2.408 1.00 1.00 H new ATOM 846 N HIS A 52 9.000 -0.199 2.055 1.00 1.00 N ATOM 847 CA HIS A 52 7.930 -1.027 1.492 1.00 1.00 C ATOM 848 C HIS A 52 7.612 -2.258 2.345 1.00 1.00 C ATOM 849 O HIS A 52 6.451 -2.616 2.512 1.00 1.00 O ATOM 850 CB HIS A 52 8.294 -1.459 0.070 1.00 1.00 C ATOM 851 CG HIS A 52 7.174 -2.125 -0.670 1.00 1.00 C ATOM 852 ND1 HIS A 52 7.152 -3.465 -0.985 1.00 1.00 N ATOM 853 CD2 HIS A 52 6.019 -1.608 -1.164 1.00 1.00 C ATOM 854 CE1 HIS A 52 6.016 -3.714 -1.646 1.00 1.00 C ATOM 855 NE2 HIS A 52 5.295 -2.622 -1.780 1.00 1.00 N ATOM 0 H HIS A 52 9.832 -0.128 1.470 1.00 1.00 H new ATOM 0 HA HIS A 52 7.031 -0.411 1.478 1.00 1.00 H new ATOM 0 HB2 HIS A 52 8.618 -0.584 -0.493 1.00 1.00 H new ATOM 0 HB3 HIS A 52 9.143 -2.141 0.115 1.00 1.00 H new ATOM 0 HD2 HIS A 52 5.713 -0.575 -1.090 1.00 1.00 H new ATOM 0 HE1 HIS A 52 5.728 -4.685 -2.021 1.00 1.00 H new ATOM 0 HE2 HIS A 52 4.389 -2.537 -2.242 1.00 1.00 H new ATOM 863 N ARG A 53 8.636 -2.881 2.912 1.00 1.00 N ATOM 864 CA ARG A 53 8.427 -4.085 3.716 1.00 1.00 C ATOM 865 C ARG A 53 7.663 -3.784 5.007 1.00 1.00 C ATOM 866 O ARG A 53 7.062 -4.671 5.603 1.00 1.00 O ATOM 867 CB ARG A 53 9.755 -4.787 4.012 1.00 1.00 C ATOM 868 CG ARG A 53 10.662 -4.072 5.001 1.00 1.00 C ATOM 869 CD ARG A 53 12.057 -4.696 4.999 1.00 1.00 C ATOM 870 NE ARG A 53 12.750 -4.474 3.719 1.00 1.00 N ATOM 871 CZ ARG A 53 13.929 -4.956 3.404 1.00 1.00 C ATOM 872 NH1 ARG A 53 14.571 -5.729 4.217 1.00 1.00 N ATOM 873 NH2 ARG A 53 14.458 -4.651 2.259 1.00 1.00 N ATOM 0 H ARG A 53 9.608 -2.581 2.834 1.00 1.00 H new ATOM 0 HA ARG A 53 7.810 -4.763 3.127 1.00 1.00 H new ATOM 0 HB2 ARG A 53 9.542 -5.785 4.396 1.00 1.00 H new ATOM 0 HB3 ARG A 53 10.296 -4.915 3.075 1.00 1.00 H new ATOM 0 HG2 ARG A 53 10.730 -3.015 4.742 1.00 1.00 H new ATOM 0 HG3 ARG A 53 10.234 -4.128 6.002 1.00 1.00 H new ATOM 0 HD2 ARG A 53 12.647 -4.271 5.811 1.00 1.00 H new ATOM 0 HD3 ARG A 53 11.977 -5.766 5.189 1.00 1.00 H new ATOM 0 HE ARG A 53 12.276 -3.900 3.022 1.00 1.00 H new ATOM 0 HH11 ARG A 53 14.162 -5.973 5.119 1.00 1.00 H new ATOM 0 HH12 ARG A 53 15.487 -6.095 3.957 1.00 1.00 H new ATOM 0 HH21 ARG A 53 13.958 -4.041 1.612 1.00 1.00 H new ATOM 0 HH22 ARG A 53 15.374 -5.021 2.006 1.00 1.00 H new ATOM 887 N GLY A 54 7.673 -2.528 5.421 1.00 1.00 N ATOM 888 CA GLY A 54 6.958 -2.149 6.619 1.00 1.00 C ATOM 889 C GLY A 54 5.474 -1.961 6.355 1.00 1.00 C ATOM 890 O GLY A 54 4.629 -2.368 7.150 1.00 1.00 O ATOM 0 H GLY A 54 8.162 -1.766 4.951 1.00 1.00 H new ATOM 0 HA2 GLY A 54 7.097 -2.914 7.383 1.00 1.00 H new ATOM 0 HA3 GLY A 54 7.377 -1.224 7.015 1.00 1.00 H new ATOM 894 N LEU A 55 5.146 -1.397 5.198 1.00 1.00 N ATOM 895 CA LEU A 55 3.749 -1.137 4.870 1.00 1.00 C ATOM 896 C LEU A 55 3.103 -2.328 4.154 1.00 1.00 C ATOM 897 O LEU A 55 2.040 -2.207 3.542 1.00 1.00 O ATOM 898 CB LEU A 55 3.595 0.161 4.067 1.00 1.00 C ATOM 899 CG LEU A 55 3.818 1.477 4.855 1.00 1.00 C ATOM 900 CD1 LEU A 55 3.007 1.511 6.148 1.00 1.00 C ATOM 901 CD2 LEU A 55 5.295 1.716 5.155 1.00 1.00 C ATOM 0 H LEU A 55 5.816 -1.115 4.482 1.00 1.00 H new ATOM 0 HA LEU A 55 3.214 -1.003 5.810 1.00 1.00 H new ATOM 0 HB2 LEU A 55 4.298 0.136 3.234 1.00 1.00 H new ATOM 0 HB3 LEU A 55 2.593 0.183 3.638 1.00 1.00 H new ATOM 0 HG LEU A 55 3.466 2.283 4.211 1.00 1.00 H new ATOM 0 HD11 LEU A 55 3.193 2.450 6.669 1.00 1.00 H new ATOM 0 HD12 LEU A 55 1.946 1.429 5.914 1.00 1.00 H new ATOM 0 HD13 LEU A 55 3.303 0.678 6.785 1.00 1.00 H new ATOM 0 HD21 LEU A 55 5.408 2.648 5.708 1.00 1.00 H new ATOM 0 HD22 LEU A 55 5.683 0.891 5.752 1.00 1.00 H new ATOM 0 HD23 LEU A 55 5.851 1.780 4.219 1.00 1.00 H new ATOM 913 N LEU A 56 3.750 -3.489 4.258 1.00 1.00 N ATOM 914 CA LEU A 56 3.216 -4.728 3.707 1.00 1.00 C ATOM 915 C LEU A 56 1.925 -5.054 4.450 1.00 1.00 C ATOM 916 O LEU A 56 1.063 -5.783 3.962 1.00 1.00 O ATOM 917 CB LEU A 56 4.230 -5.850 3.878 1.00 1.00 C ATOM 918 CG LEU A 56 5.383 -5.830 2.878 1.00 1.00 C ATOM 919 CD1 LEU A 56 6.359 -6.948 3.187 1.00 1.00 C ATOM 920 CD2 LEU A 56 4.871 -5.945 1.447 1.00 1.00 C ATOM 0 H LEU A 56 4.652 -3.594 4.723 1.00 1.00 H new ATOM 0 HA LEU A 56 3.013 -4.618 2.642 1.00 1.00 H new ATOM 0 HB2 LEU A 56 4.641 -5.798 4.886 1.00 1.00 H new ATOM 0 HB3 LEU A 56 3.711 -6.805 3.794 1.00 1.00 H new ATOM 0 HG LEU A 56 5.900 -4.875 2.970 1.00 1.00 H new ATOM 0 HD11 LEU A 56 7.178 -6.925 2.468 1.00 1.00 H new ATOM 0 HD12 LEU A 56 6.756 -6.816 4.194 1.00 1.00 H new ATOM 0 HD13 LEU A 56 5.846 -7.907 3.122 1.00 1.00 H new ATOM 0 HD21 LEU A 56 5.714 -5.928 0.756 1.00 1.00 H new ATOM 0 HD22 LEU A 56 4.325 -6.881 1.330 1.00 1.00 H new ATOM 0 HD23 LEU A 56 4.207 -5.108 1.230 1.00 1.00 H new ATOM 932 N MET A 57 1.841 -4.527 5.677 1.00 1.00 N ATOM 933 CA MET A 57 0.647 -4.641 6.500 1.00 1.00 C ATOM 934 C MET A 57 -0.555 -4.096 5.723 1.00 1.00 C ATOM 935 O MET A 57 -1.622 -4.702 5.698 1.00 1.00 O ATOM 936 CB MET A 57 0.841 -3.837 7.791 1.00 1.00 C ATOM 937 CG MET A 57 -0.403 -3.742 8.662 1.00 1.00 C ATOM 938 SD MET A 57 -0.109 -2.831 10.190 1.00 1.00 S ATOM 939 CE MET A 57 1.036 -3.927 11.026 1.00 1.00 C ATOM 0 H MET A 57 2.601 -4.012 6.120 1.00 1.00 H new ATOM 0 HA MET A 57 0.470 -5.687 6.752 1.00 1.00 H new ATOM 0 HB2 MET A 57 1.643 -4.292 8.372 1.00 1.00 H new ATOM 0 HB3 MET A 57 1.167 -2.830 7.532 1.00 1.00 H new ATOM 0 HG2 MET A 57 -1.200 -3.255 8.100 1.00 1.00 H new ATOM 0 HG3 MET A 57 -0.751 -4.746 8.903 1.00 1.00 H new ATOM 0 HE1 MET A 57 1.039 -3.705 12.093 1.00 1.00 H new ATOM 0 HE2 MET A 57 0.728 -4.961 10.872 1.00 1.00 H new ATOM 0 HE3 MET A 57 2.038 -3.783 10.622 1.00 1.00 H new ATOM 949 N MET A 58 -0.364 -2.961 5.045 1.00 1.00 N ATOM 950 CA MET A 58 -1.449 -2.377 4.262 1.00 1.00 C ATOM 951 C MET A 58 -1.734 -3.261 3.045 1.00 1.00 C ATOM 952 O MET A 58 -2.885 -3.532 2.727 1.00 1.00 O ATOM 953 CB MET A 58 -1.137 -0.945 3.810 1.00 1.00 C ATOM 954 CG MET A 58 -1.024 0.052 4.953 1.00 1.00 C ATOM 955 SD MET A 58 -1.057 1.769 4.391 1.00 1.00 S ATOM 956 CE MET A 58 0.394 1.838 3.337 1.00 1.00 C ATOM 0 H MET A 58 0.513 -2.440 5.023 1.00 1.00 H new ATOM 0 HA MET A 58 -2.329 -2.326 4.903 1.00 1.00 H new ATOM 0 HB2 MET A 58 -0.202 -0.947 3.249 1.00 1.00 H new ATOM 0 HB3 MET A 58 -1.918 -0.612 3.126 1.00 1.00 H new ATOM 0 HG2 MET A 58 -1.842 -0.112 5.654 1.00 1.00 H new ATOM 0 HG3 MET A 58 -0.097 -0.130 5.497 1.00 1.00 H new ATOM 0 HE1 MET A 58 0.167 2.418 2.443 1.00 1.00 H new ATOM 0 HE2 MET A 58 1.214 2.311 3.877 1.00 1.00 H new ATOM 0 HE3 MET A 58 0.684 0.827 3.050 1.00 1.00 H new ATOM 966 N VAL A 59 -0.669 -3.723 2.381 1.00 1.00 N ATOM 967 CA VAL A 59 -0.803 -4.604 1.218 1.00 1.00 C ATOM 968 C VAL A 59 -1.559 -5.890 1.599 1.00 1.00 C ATOM 969 O VAL A 59 -2.425 -6.363 0.859 1.00 1.00 O ATOM 970 CB VAL A 59 0.581 -4.976 0.626 1.00 1.00 C ATOM 971 CG1 VAL A 59 0.435 -5.845 -0.617 1.00 1.00 C ATOM 972 CG2 VAL A 59 1.390 -3.726 0.305 1.00 1.00 C ATOM 0 H VAL A 59 0.295 -3.501 2.630 1.00 1.00 H new ATOM 0 HA VAL A 59 -1.369 -4.060 0.461 1.00 1.00 H new ATOM 0 HB VAL A 59 1.117 -5.550 1.382 1.00 1.00 H new ATOM 0 HG11 VAL A 59 1.423 -6.089 -1.008 1.00 1.00 H new ATOM 0 HG12 VAL A 59 -0.090 -6.765 -0.358 1.00 1.00 H new ATOM 0 HG13 VAL A 59 -0.132 -5.304 -1.375 1.00 1.00 H new ATOM 0 HG21 VAL A 59 2.356 -4.014 -0.109 1.00 1.00 H new ATOM 0 HG22 VAL A 59 0.850 -3.120 -0.422 1.00 1.00 H new ATOM 0 HG23 VAL A 59 1.543 -3.148 1.216 1.00 1.00 H new ATOM 982 N GLY A 60 -1.228 -6.438 2.764 1.00 1.00 N ATOM 983 CA GLY A 60 -1.883 -7.641 3.253 1.00 1.00 C ATOM 984 C GLY A 60 -3.361 -7.434 3.564 1.00 1.00 C ATOM 985 O GLY A 60 -4.209 -8.212 3.124 1.00 1.00 O ATOM 0 H GLY A 60 -0.510 -6.066 3.385 1.00 1.00 H new ATOM 0 HA2 GLY A 60 -1.782 -8.431 2.508 1.00 1.00 H new ATOM 0 HA3 GLY A 60 -1.373 -7.985 4.153 1.00 1.00 H new ATOM 989 N GLN A 61 -3.685 -6.371 4.302 1.00 1.00 N ATOM 990 CA GLN A 61 -5.085 -6.099 4.659 1.00 1.00 C ATOM 991 C GLN A 61 -5.858 -5.571 3.451 1.00 1.00 C ATOM 992 O GLN A 61 -7.088 -5.530 3.444 1.00 1.00 O ATOM 993 CB GLN A 61 -5.185 -5.129 5.838 1.00 1.00 C ATOM 994 CG GLN A 61 -5.120 -5.826 7.193 1.00 1.00 C ATOM 995 CD GLN A 61 -3.836 -6.608 7.428 1.00 1.00 C ATOM 996 OE1 GLN A 61 -2.860 -6.083 7.937 1.00 1.00 O ATOM 997 NE2 GLN A 61 -3.835 -7.880 7.076 1.00 1.00 N ATOM 0 H GLN A 61 -3.013 -5.693 4.661 1.00 1.00 H new ATOM 0 HA GLN A 61 -5.537 -7.041 4.970 1.00 1.00 H new ATOM 0 HB2 GLN A 61 -4.377 -4.401 5.771 1.00 1.00 H new ATOM 0 HB3 GLN A 61 -6.120 -4.574 5.766 1.00 1.00 H new ATOM 0 HG2 GLN A 61 -5.227 -5.079 7.979 1.00 1.00 H new ATOM 0 HG3 GLN A 61 -5.968 -6.505 7.281 1.00 1.00 H new ATOM 0 HE21 GLN A 61 -4.666 -8.293 6.652 1.00 1.00 H new ATOM 0 HE22 GLN A 61 -3.003 -8.451 7.228 1.00 1.00 H new ATOM 1006 N ARG A 62 -5.111 -5.188 2.426 1.00 1.00 N ATOM 1007 CA ARG A 62 -5.663 -4.707 1.182 1.00 1.00 C ATOM 1008 C ARG A 62 -6.316 -5.868 0.456 1.00 1.00 C ATOM 1009 O ARG A 62 -7.497 -5.837 0.127 1.00 1.00 O ATOM 1010 CB ARG A 62 -4.507 -4.160 0.361 1.00 1.00 C ATOM 1011 CG ARG A 62 -4.816 -3.696 -1.050 1.00 1.00 C ATOM 1012 CD ARG A 62 -3.499 -3.302 -1.712 1.00 1.00 C ATOM 1013 NE ARG A 62 -3.638 -2.533 -2.955 1.00 1.00 N ATOM 1014 CZ ARG A 62 -2.754 -2.555 -3.922 1.00 1.00 C ATOM 1015 NH1 ARG A 62 -1.795 -3.428 -3.925 1.00 1.00 N ATOM 1016 NH2 ARG A 62 -2.856 -1.718 -4.905 1.00 1.00 N ATOM 0 H ARG A 62 -4.091 -5.205 2.442 1.00 1.00 H new ATOM 0 HA ARG A 62 -6.411 -3.932 1.347 1.00 1.00 H new ATOM 0 HB2 ARG A 62 -4.074 -3.321 0.905 1.00 1.00 H new ATOM 0 HB3 ARG A 62 -3.740 -4.932 0.302 1.00 1.00 H new ATOM 0 HG2 ARG A 62 -5.304 -4.490 -1.615 1.00 1.00 H new ATOM 0 HG3 ARG A 62 -5.502 -2.849 -1.032 1.00 1.00 H new ATOM 0 HD2 ARG A 62 -2.914 -2.716 -1.003 1.00 1.00 H new ATOM 0 HD3 ARG A 62 -2.930 -4.207 -1.924 1.00 1.00 H new ATOM 0 HE ARG A 62 -4.467 -1.950 -3.072 1.00 1.00 H new ATOM 0 HH11 ARG A 62 -1.722 -4.108 -3.169 1.00 1.00 H new ATOM 0 HH12 ARG A 62 -1.113 -3.434 -4.684 1.00 1.00 H new ATOM 0 HH21 ARG A 62 -3.622 -1.045 -4.924 1.00 1.00 H new ATOM 0 HH22 ARG A 62 -2.170 -1.732 -5.660 1.00 1.00 H new ATOM 1030 N ARG A 63 -5.534 -6.922 0.256 1.00 1.00 N ATOM 1031 CA ARG A 63 -6.031 -8.102 -0.420 1.00 1.00 C ATOM 1032 C ARG A 63 -7.128 -8.758 0.411 1.00 1.00 C ATOM 1033 O ARG A 63 -8.095 -9.288 -0.126 1.00 1.00 O ATOM 1034 CB ARG A 63 -4.893 -9.084 -0.694 1.00 1.00 C ATOM 1035 CG ARG A 63 -3.768 -8.469 -1.512 1.00 1.00 C ATOM 1036 CD ARG A 63 -2.736 -9.502 -1.967 1.00 1.00 C ATOM 1037 NE ARG A 63 -2.156 -10.280 -0.856 1.00 1.00 N ATOM 1038 CZ ARG A 63 -0.869 -10.411 -0.625 1.00 1.00 C ATOM 1039 NH1 ARG A 63 0.003 -9.753 -1.324 1.00 1.00 N ATOM 1040 NH2 ARG A 63 -0.461 -11.197 0.326 1.00 1.00 N ATOM 0 H ARG A 63 -4.560 -6.979 0.552 1.00 1.00 H new ATOM 0 HA ARG A 63 -6.455 -7.805 -1.379 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -4.492 -9.443 0.254 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -5.288 -9.952 -1.222 1.00 1.00 H new ATOM 0 HG2 ARG A 63 -4.189 -7.973 -2.386 1.00 1.00 H new ATOM 0 HG3 ARG A 63 -3.271 -7.702 -0.919 1.00 1.00 H new ATOM 0 HD2 ARG A 63 -3.205 -10.186 -2.674 1.00 1.00 H new ATOM 0 HD3 ARG A 63 -1.934 -8.992 -2.501 1.00 1.00 H new ATOM 0 HE ARG A 63 -2.801 -10.750 -0.221 1.00 1.00 H new ATOM 0 HH11 ARG A 63 -0.307 -9.124 -2.064 1.00 1.00 H new ATOM 0 HH12 ARG A 63 0.999 -9.865 -1.133 1.00 1.00 H new ATOM 0 HH21 ARG A 63 -1.139 -11.710 0.890 1.00 1.00 H new ATOM 0 HH22 ARG A 63 0.537 -11.301 0.508 1.00 1.00 H new ATOM 1054 N ARG A 64 -6.987 -8.699 1.730 1.00 1.00 N ATOM 1055 CA ARG A 64 -7.990 -9.272 2.614 1.00 1.00 C ATOM 1056 C ARG A 64 -9.294 -8.464 2.555 1.00 1.00 C ATOM 1057 O ARG A 64 -10.377 -9.036 2.500 1.00 1.00 O ATOM 1058 CB ARG A 64 -7.474 -9.340 4.054 1.00 1.00 C ATOM 1059 CG ARG A 64 -8.355 -10.172 4.975 1.00 1.00 C ATOM 1060 CD ARG A 64 -7.798 -10.230 6.400 1.00 1.00 C ATOM 1061 NE ARG A 64 -7.857 -8.928 7.088 1.00 1.00 N ATOM 1062 CZ ARG A 64 -7.240 -8.646 8.215 1.00 1.00 C ATOM 1063 NH1 ARG A 64 -6.416 -9.490 8.751 1.00 1.00 N ATOM 1064 NH2 ARG A 64 -7.430 -7.496 8.785 1.00 1.00 N ATOM 0 H ARG A 64 -6.196 -8.265 2.205 1.00 1.00 H new ATOM 0 HA ARG A 64 -8.195 -10.287 2.273 1.00 1.00 H new ATOM 0 HB2 ARG A 64 -6.467 -9.758 4.052 1.00 1.00 H new ATOM 0 HB3 ARG A 64 -7.398 -8.328 4.453 1.00 1.00 H new ATOM 0 HG2 ARG A 64 -9.360 -9.750 4.995 1.00 1.00 H new ATOM 0 HG3 ARG A 64 -8.442 -11.183 4.578 1.00 1.00 H new ATOM 0 HD2 ARG A 64 -8.360 -10.966 6.975 1.00 1.00 H new ATOM 0 HD3 ARG A 64 -6.764 -10.573 6.368 1.00 1.00 H new ATOM 0 HE ARG A 64 -8.417 -8.192 6.659 1.00 1.00 H new ATOM 0 HH11 ARG A 64 -6.239 -10.387 8.299 1.00 1.00 H new ATOM 0 HH12 ARG A 64 -5.945 -9.258 9.625 1.00 1.00 H new ATOM 0 HH21 ARG A 64 -8.057 -6.813 8.359 1.00 1.00 H new ATOM 0 HH22 ARG A 64 -6.953 -7.275 9.659 1.00 1.00 H new ATOM 1078 N LEU A 65 -9.190 -7.137 2.534 1.00 1.00 N ATOM 1079 CA LEU A 65 -10.384 -6.287 2.477 1.00 1.00 C ATOM 1080 C LEU A 65 -11.030 -6.386 1.088 1.00 1.00 C ATOM 1081 O LEU A 65 -12.251 -6.287 0.949 1.00 1.00 O ATOM 1082 CB LEU A 65 -10.032 -4.841 2.859 1.00 1.00 C ATOM 1083 CG LEU A 65 -11.199 -3.848 2.954 1.00 1.00 C ATOM 1084 CD1 LEU A 65 -12.309 -4.380 3.850 1.00 1.00 C ATOM 1085 CD2 LEU A 65 -10.699 -2.516 3.493 1.00 1.00 C ATOM 0 H LEU A 65 -8.306 -6.629 2.555 1.00 1.00 H new ATOM 0 HA LEU A 65 -11.117 -6.637 3.204 1.00 1.00 H new ATOM 0 HB2 LEU A 65 -9.521 -4.858 3.822 1.00 1.00 H new ATOM 0 HB3 LEU A 65 -9.320 -4.460 2.127 1.00 1.00 H new ATOM 0 HG LEU A 65 -11.608 -3.711 1.953 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -13.120 -3.653 3.896 1.00 1.00 H new ATOM 0 HD12 LEU A 65 -12.686 -5.319 3.444 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -11.917 -4.550 4.853 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -11.531 -1.815 3.559 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -10.269 -2.663 4.484 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -9.938 -2.115 2.823 1.00 1.00 H new ATOM 1097 N LEU A 66 -10.209 -6.601 0.058 1.00 1.00 N ATOM 1098 CA LEU A 66 -10.728 -6.790 -1.293 1.00 1.00 C ATOM 1099 C LEU A 66 -11.503 -8.115 -1.355 1.00 1.00 C ATOM 1100 O LEU A 66 -12.527 -8.216 -2.027 1.00 1.00 O ATOM 1101 CB LEU A 66 -9.602 -6.797 -2.334 1.00 1.00 C ATOM 1102 CG LEU A 66 -8.873 -5.463 -2.539 1.00 1.00 C ATOM 1103 CD1 LEU A 66 -7.740 -5.629 -3.541 1.00 1.00 C ATOM 1104 CD2 LEU A 66 -9.836 -4.382 -3.008 1.00 1.00 C ATOM 0 H LEU A 66 -9.193 -6.648 0.134 1.00 1.00 H new ATOM 0 HA LEU A 66 -11.390 -5.956 -1.526 1.00 1.00 H new ATOM 0 HB2 LEU A 66 -8.869 -7.549 -2.043 1.00 1.00 H new ATOM 0 HB3 LEU A 66 -10.019 -7.112 -3.290 1.00 1.00 H new ATOM 0 HG LEU A 66 -8.455 -5.154 -1.581 1.00 1.00 H new ATOM 0 HD11 LEU A 66 -7.232 -4.674 -3.677 1.00 1.00 H new ATOM 0 HD12 LEU A 66 -7.031 -6.368 -3.169 1.00 1.00 H new ATOM 0 HD13 LEU A 66 -8.145 -5.963 -4.496 1.00 1.00 H new ATOM 0 HD21 LEU A 66 -9.294 -3.447 -3.146 1.00 1.00 H new ATOM 0 HD22 LEU A 66 -10.288 -4.682 -3.954 1.00 1.00 H new ATOM 0 HD23 LEU A 66 -10.617 -4.242 -2.261 1.00 1.00 H new ATOM 1116 N ARG A 67 -11.012 -9.134 -0.634 1.00 1.00 N ATOM 1117 CA ARG A 67 -11.695 -10.437 -0.585 1.00 1.00 C ATOM 1118 C ARG A 67 -12.952 -10.338 0.286 1.00 1.00 C ATOM 1119 O ARG A 67 -13.794 -11.238 0.303 1.00 1.00 O ATOM 1120 CB ARG A 67 -10.772 -11.544 -0.058 1.00 1.00 C ATOM 1121 CG ARG A 67 -9.599 -11.859 -0.973 1.00 1.00 C ATOM 1122 CD ARG A 67 -8.713 -12.967 -0.391 1.00 1.00 C ATOM 1123 NE ARG A 67 -9.400 -14.274 -0.323 1.00 1.00 N ATOM 1124 CZ ARG A 67 -9.100 -15.239 0.523 1.00 1.00 C ATOM 1125 NH1 ARG A 67 -8.203 -15.067 1.440 1.00 1.00 N ATOM 1126 NH2 ARG A 67 -9.726 -16.379 0.453 1.00 1.00 N ATOM 0 H ARG A 67 -10.155 -9.084 -0.083 1.00 1.00 H new ATOM 0 HA ARG A 67 -11.979 -10.702 -1.603 1.00 1.00 H new ATOM 0 HB2 ARG A 67 -10.389 -11.249 0.919 1.00 1.00 H new ATOM 0 HB3 ARG A 67 -11.358 -12.451 0.090 1.00 1.00 H new ATOM 0 HG2 ARG A 67 -9.971 -12.165 -1.951 1.00 1.00 H new ATOM 0 HG3 ARG A 67 -9.004 -10.959 -1.126 1.00 1.00 H new ATOM 0 HD2 ARG A 67 -7.815 -13.065 -1.001 1.00 1.00 H new ATOM 0 HD3 ARG A 67 -8.390 -12.679 0.609 1.00 1.00 H new ATOM 0 HE ARG A 67 -10.163 -14.441 -0.979 1.00 1.00 H new ATOM 0 HH11 ARG A 67 -7.716 -14.174 1.516 1.00 1.00 H new ATOM 0 HH12 ARG A 67 -7.983 -15.824 2.087 1.00 1.00 H new ATOM 0 HH21 ARG A 67 -10.446 -16.523 -0.255 1.00 1.00 H new ATOM 0 HH22 ARG A 67 -9.496 -17.128 1.106 1.00 1.00 H new ATOM 1140 N TYR A 68 -13.051 -9.254 1.043 1.00 1.00 N ATOM 1141 CA TYR A 68 -14.224 -9.006 1.869 1.00 1.00 C ATOM 1142 C TYR A 68 -15.289 -8.248 1.053 1.00 1.00 C ATOM 1143 O TYR A 68 -16.398 -8.740 0.858 1.00 1.00 O ATOM 1144 CB TYR A 68 -13.846 -8.212 3.128 1.00 1.00 C ATOM 1145 CG TYR A 68 -15.052 -7.742 3.907 1.00 1.00 C ATOM 1146 CD1 TYR A 68 -15.725 -8.593 4.777 1.00 1.00 C ATOM 1147 CD2 TYR A 68 -15.510 -6.437 3.780 1.00 1.00 C ATOM 1148 CE1 TYR A 68 -16.857 -8.170 5.450 1.00 1.00 C ATOM 1149 CE2 TYR A 68 -16.631 -6.008 4.455 1.00 1.00 C ATOM 1150 CZ TYR A 68 -17.286 -6.866 5.303 1.00 1.00 C ATOM 1151 OH TYR A 68 -18.412 -6.432 5.950 1.00 1.00 O ATOM 0 H TYR A 68 -12.333 -8.532 1.102 1.00 1.00 H new ATOM 0 HA TYR A 68 -14.636 -9.964 2.186 1.00 1.00 H new ATOM 0 HB2 TYR A 68 -13.223 -8.834 3.771 1.00 1.00 H new ATOM 0 HB3 TYR A 68 -13.245 -7.349 2.841 1.00 1.00 H new ATOM 0 HD1 TYR A 68 -15.359 -9.598 4.929 1.00 1.00 H new ATOM 0 HD2 TYR A 68 -14.978 -5.747 3.141 1.00 1.00 H new ATOM 0 HE1 TYR A 68 -17.401 -8.854 6.085 1.00 1.00 H new ATOM 0 HE2 TYR A 68 -16.994 -5.000 4.318 1.00 1.00 H new ATOM 0 HH TYR A 68 -19.139 -6.321 5.302 1.00 1.00 H new ATOM 1161 N LEU A 69 -14.921 -7.072 0.532 1.00 1.00 N ATOM 1162 CA LEU A 69 -15.850 -6.241 -0.253 1.00 1.00 C ATOM 1163 C LEU A 69 -16.380 -6.971 -1.502 1.00 1.00 C ATOM 1164 O LEU A 69 -17.509 -6.742 -1.928 1.00 1.00 O ATOM 1165 CB LEU A 69 -15.176 -4.930 -0.678 1.00 1.00 C ATOM 1166 CG LEU A 69 -14.707 -4.026 0.467 1.00 1.00 C ATOM 1167 CD1 LEU A 69 -13.999 -2.802 -0.087 1.00 1.00 C ATOM 1168 CD2 LEU A 69 -15.877 -3.601 1.344 1.00 1.00 C ATOM 0 H LEU A 69 -13.989 -6.672 0.638 1.00 1.00 H new ATOM 0 HA LEU A 69 -16.699 -6.026 0.396 1.00 1.00 H new ATOM 0 HB2 LEU A 69 -14.316 -5.170 -1.303 1.00 1.00 H new ATOM 0 HB3 LEU A 69 -15.874 -4.368 -1.299 1.00 1.00 H new ATOM 0 HG LEU A 69 -14.009 -4.594 1.082 1.00 1.00 H new ATOM 0 HD11 LEU A 69 -13.671 -2.168 0.736 1.00 1.00 H new ATOM 0 HD12 LEU A 69 -13.134 -3.115 -0.671 1.00 1.00 H new ATOM 0 HD13 LEU A 69 -14.684 -2.243 -0.725 1.00 1.00 H new ATOM 0 HD21 LEU A 69 -15.515 -2.960 2.148 1.00 1.00 H new ATOM 0 HD22 LEU A 69 -16.602 -3.053 0.742 1.00 1.00 H new ATOM 0 HD23 LEU A 69 -16.352 -4.485 1.770 1.00 1.00 H new ATOM 1180 N GLN A 70 -15.572 -7.861 -2.075 1.00 1.00 N ATOM 1181 CA GLN A 70 -15.981 -8.615 -3.270 1.00 1.00 C ATOM 1182 C GLN A 70 -17.179 -9.519 -2.989 1.00 1.00 C ATOM 1183 O GLN A 70 -17.889 -9.929 -3.903 1.00 1.00 O ATOM 1184 CB GLN A 70 -14.823 -9.467 -3.796 1.00 1.00 C ATOM 1185 CG GLN A 70 -14.513 -10.700 -2.950 1.00 1.00 C ATOM 1186 CD GLN A 70 -13.293 -11.456 -3.448 1.00 1.00 C ATOM 1187 OE1 GLN A 70 -12.307 -10.735 -3.942 1.00 1.00 O flip ATOM 1188 NE2 GLN A 70 -13.226 -12.676 -3.371 1.00 1.00 N flip ATOM 0 H GLN A 70 -14.635 -8.081 -1.738 1.00 1.00 H new ATOM 0 HA GLN A 70 -16.269 -7.881 -4.023 1.00 1.00 H new ATOM 0 HB2 GLN A 70 -15.055 -9.787 -4.812 1.00 1.00 H new ATOM 0 HB3 GLN A 70 -13.929 -8.847 -3.854 1.00 1.00 H new ATOM 0 HG2 GLN A 70 -14.351 -10.396 -1.916 1.00 1.00 H new ATOM 0 HG3 GLN A 70 -15.376 -11.366 -2.955 1.00 1.00 H new ATOM 0 HE21 GLN A 70 -14.006 -13.206 -2.983 1.00 1.00 H new ATOM 0 HE22 GLN A 70 -12.390 -13.162 -3.694 1.00 1.00 H new ATOM 1197 N ARG A 71 -17.404 -9.808 -1.720 1.00 1.00 N ATOM 1198 CA ARG A 71 -18.507 -10.669 -1.318 1.00 1.00 C ATOM 1199 C ARG A 71 -19.832 -9.924 -1.345 1.00 1.00 C ATOM 1200 O ARG A 71 -20.874 -10.499 -1.646 1.00 1.00 O ATOM 1201 CB ARG A 71 -18.310 -11.164 0.111 1.00 1.00 C ATOM 1202 CG ARG A 71 -17.010 -11.896 0.374 1.00 1.00 C ATOM 1203 CD ARG A 71 -16.885 -12.214 1.862 1.00 1.00 C ATOM 1204 NE ARG A 71 -15.630 -12.894 2.208 1.00 1.00 N ATOM 1205 CZ ARG A 71 -15.509 -13.759 3.186 1.00 1.00 C ATOM 1206 NH1 ARG A 71 -16.547 -14.150 3.855 1.00 1.00 N ATOM 1207 NH2 ARG A 71 -14.343 -14.243 3.481 1.00 1.00 N ATOM 0 H ARG A 71 -16.837 -9.459 -0.947 1.00 1.00 H new ATOM 0 HA ARG A 71 -18.524 -11.500 -2.024 1.00 1.00 H new ATOM 0 HB2 ARG A 71 -18.368 -10.309 0.784 1.00 1.00 H new ATOM 0 HB3 ARG A 71 -19.138 -11.826 0.365 1.00 1.00 H new ATOM 0 HG2 ARG A 71 -16.977 -12.817 -0.208 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -16.167 -11.285 0.052 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -16.957 -11.287 2.432 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -17.725 -12.840 2.164 1.00 1.00 H new ATOM 0 HE ARG A 71 -14.801 -12.680 1.653 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -17.471 -13.785 3.623 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -16.441 -14.823 4.614 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -13.521 -13.951 2.953 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -14.248 -14.916 4.242 1.00 1.00 H new ATOM 1221 N GLU A 72 -19.787 -8.635 -1.058 1.00 1.00 N ATOM 1222 CA GLU A 72 -21.016 -7.850 -0.976 1.00 1.00 C ATOM 1223 C GLU A 72 -21.414 -7.251 -2.330 1.00 1.00 C ATOM 1224 O GLU A 72 -22.390 -6.511 -2.447 1.00 1.00 O ATOM 1225 CB GLU A 72 -20.895 -6.824 0.145 1.00 1.00 C ATOM 1226 CG GLU A 72 -20.797 -7.501 1.509 1.00 1.00 C ATOM 1227 CD GLU A 72 -20.755 -6.522 2.663 1.00 1.00 C ATOM 1228 OE1 GLU A 72 -21.762 -5.818 2.879 1.00 1.00 O ATOM 1229 OE2 GLU A 72 -19.714 -6.463 3.355 1.00 1.00 O ATOM 0 H GLU A 72 -18.930 -8.112 -0.880 1.00 1.00 H new ATOM 0 HA GLU A 72 -21.845 -8.510 -0.720 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -20.013 -6.205 -0.020 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -21.759 -6.160 0.128 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -21.650 -8.167 1.638 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -19.901 -8.121 1.535 1.00 1.00 H new ATOM 1236 N ASP A 73 -20.617 -7.603 -3.331 1.00 1.00 N ATOM 1237 CA ASP A 73 -20.825 -7.266 -4.733 1.00 1.00 C ATOM 1238 C ASP A 73 -19.591 -7.712 -5.517 1.00 1.00 C ATOM 1239 O ASP A 73 -18.559 -7.033 -5.531 1.00 1.00 O ATOM 1240 CB ASP A 73 -21.125 -5.792 -5.006 1.00 1.00 C ATOM 1241 CG ASP A 73 -21.654 -5.617 -6.413 1.00 1.00 C ATOM 1242 OD1 ASP A 73 -20.839 -5.662 -7.356 1.00 1.00 O ATOM 1243 OD2 ASP A 73 -22.878 -5.464 -6.577 1.00 1.00 O ATOM 0 H ASP A 73 -19.772 -8.155 -3.181 1.00 1.00 H new ATOM 0 HA ASP A 73 -21.724 -7.792 -5.056 1.00 1.00 H new ATOM 0 HB2 ASP A 73 -21.856 -5.423 -4.287 1.00 1.00 H new ATOM 0 HB3 ASP A 73 -20.220 -5.199 -4.874 1.00 1.00 H new ATOM 1248 N PRO A 74 -19.672 -8.885 -6.164 1.00 1.00 N ATOM 1249 CA PRO A 74 -18.547 -9.446 -6.925 1.00 1.00 C ATOM 1250 C PRO A 74 -18.153 -8.597 -8.125 1.00 1.00 C ATOM 1251 O PRO A 74 -17.006 -8.623 -8.575 1.00 1.00 O ATOM 1252 CB PRO A 74 -19.074 -10.800 -7.411 1.00 1.00 C ATOM 1253 CG PRO A 74 -20.269 -11.087 -6.567 1.00 1.00 C ATOM 1254 CD PRO A 74 -20.860 -9.751 -6.225 1.00 1.00 C ATOM 0 HA PRO A 74 -17.652 -9.505 -6.306 1.00 1.00 H new ATOM 0 HB2 PRO A 74 -19.339 -10.762 -8.467 1.00 1.00 H new ATOM 0 HB3 PRO A 74 -18.319 -11.578 -7.300 1.00 1.00 H new ATOM 0 HG2 PRO A 74 -20.987 -11.706 -7.104 1.00 1.00 H new ATOM 0 HG3 PRO A 74 -19.989 -11.633 -5.666 1.00 1.00 H new ATOM 0 HD2 PRO A 74 -21.569 -9.415 -6.982 1.00 1.00 H new ATOM 0 HD3 PRO A 74 -21.395 -9.775 -5.275 1.00 1.00 H new ATOM 1262 N GLU A 75 -19.092 -7.824 -8.626 1.00 1.00 N ATOM 1263 CA GLU A 75 -18.840 -6.996 -9.786 1.00 1.00 C ATOM 1264 C GLU A 75 -18.091 -5.737 -9.376 1.00 1.00 C ATOM 1265 O GLU A 75 -17.225 -5.243 -10.100 1.00 1.00 O ATOM 1266 CB GLU A 75 -20.156 -6.671 -10.471 1.00 1.00 C ATOM 1267 CG GLU A 75 -19.993 -5.924 -11.774 1.00 1.00 C ATOM 1268 CD GLU A 75 -21.321 -5.523 -12.374 1.00 1.00 C ATOM 1269 OE1 GLU A 75 -21.845 -4.449 -11.999 1.00 1.00 O ATOM 1270 OE2 GLU A 75 -21.831 -6.276 -13.230 1.00 1.00 O ATOM 0 H GLU A 75 -20.037 -7.751 -8.249 1.00 1.00 H new ATOM 0 HA GLU A 75 -18.212 -7.534 -10.496 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -20.697 -7.599 -10.659 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -20.770 -6.076 -9.795 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -19.388 -5.033 -11.606 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -19.450 -6.549 -12.483 1.00 1.00 H new ATOM 1277 N ARG A 76 -18.417 -5.237 -8.201 1.00 1.00 N ATOM 1278 CA ARG A 76 -17.743 -4.076 -7.657 1.00 1.00 C ATOM 1279 C ARG A 76 -16.276 -4.418 -7.361 1.00 1.00 C ATOM 1280 O ARG A 76 -15.406 -3.557 -7.424 1.00 1.00 O ATOM 1281 CB ARG A 76 -18.452 -3.603 -6.399 1.00 1.00 C ATOM 1282 CG ARG A 76 -17.793 -2.408 -5.745 1.00 1.00 C ATOM 1283 CD ARG A 76 -18.658 -1.854 -4.623 1.00 1.00 C ATOM 1284 NE ARG A 76 -19.922 -1.299 -5.124 1.00 1.00 N ATOM 1285 CZ ARG A 76 -20.617 -0.368 -4.521 1.00 1.00 C ATOM 1286 NH1 ARG A 76 -20.220 0.144 -3.401 1.00 1.00 N ATOM 1287 NH2 ARG A 76 -21.729 0.038 -5.050 1.00 1.00 N ATOM 0 H ARG A 76 -19.149 -5.619 -7.602 1.00 1.00 H new ATOM 0 HA ARG A 76 -17.770 -3.268 -8.388 1.00 1.00 H new ATOM 0 HB2 ARG A 76 -19.483 -3.349 -6.647 1.00 1.00 H new ATOM 0 HB3 ARG A 76 -18.490 -4.424 -5.683 1.00 1.00 H new ATOM 0 HG2 ARG A 76 -16.819 -2.697 -5.349 1.00 1.00 H new ATOM 0 HG3 ARG A 76 -17.617 -1.632 -6.490 1.00 1.00 H new ATOM 0 HD2 ARG A 76 -18.870 -2.646 -3.904 1.00 1.00 H new ATOM 0 HD3 ARG A 76 -18.108 -1.078 -4.090 1.00 1.00 H new ATOM 0 HE ARG A 76 -20.284 -1.665 -6.005 1.00 1.00 H new ATOM 0 HH11 ARG A 76 -19.352 -0.177 -2.973 1.00 1.00 H new ATOM 0 HH12 ARG A 76 -20.775 0.869 -2.946 1.00 1.00 H new ATOM 0 HH21 ARG A 76 -22.054 -0.368 -5.928 1.00 1.00 H new ATOM 0 HH22 ARG A 76 -22.278 0.763 -4.589 1.00 1.00 H new ATOM 1301 N TYR A 77 -16.006 -5.687 -7.034 1.00 1.00 N ATOM 1302 CA TYR A 77 -14.626 -6.132 -6.799 1.00 1.00 C ATOM 1303 C TYR A 77 -13.819 -5.823 -8.043 1.00 1.00 C ATOM 1304 O TYR A 77 -12.755 -5.200 -8.006 1.00 1.00 O ATOM 1305 CB TYR A 77 -14.572 -7.652 -6.581 1.00 1.00 C ATOM 1306 CG TYR A 77 -13.162 -8.214 -6.619 1.00 1.00 C ATOM 1307 CD1 TYR A 77 -12.204 -7.784 -5.709 1.00 1.00 C ATOM 1308 CD2 TYR A 77 -12.789 -9.180 -7.555 1.00 1.00 C ATOM 1309 CE1 TYR A 77 -10.914 -8.278 -5.744 1.00 1.00 C ATOM 1310 CE2 TYR A 77 -11.498 -9.673 -7.593 1.00 1.00 C ATOM 1311 CZ TYR A 77 -10.572 -9.229 -6.680 1.00 1.00 C ATOM 1312 OH TYR A 77 -9.289 -9.720 -6.722 1.00 1.00 O ATOM 0 H TYR A 77 -16.712 -6.415 -6.927 1.00 1.00 H new ATOM 0 HA TYR A 77 -14.235 -5.625 -5.917 1.00 1.00 H new ATOM 0 HB2 TYR A 77 -15.025 -7.890 -5.619 1.00 1.00 H new ATOM 0 HB3 TYR A 77 -15.172 -8.144 -7.346 1.00 1.00 H new ATOM 0 HD1 TYR A 77 -12.472 -7.052 -4.962 1.00 1.00 H new ATOM 0 HD2 TYR A 77 -13.520 -9.548 -8.260 1.00 1.00 H new ATOM 0 HE1 TYR A 77 -10.177 -7.920 -5.040 1.00 1.00 H new ATOM 0 HE2 TYR A 77 -11.218 -10.404 -8.337 1.00 1.00 H new ATOM 0 HH TYR A 77 -9.216 -10.384 -7.439 1.00 1.00 H new ATOM 1322 N ARG A 78 -14.413 -6.238 -9.155 1.00 1.00 N ATOM 1323 CA ARG A 78 -13.851 -6.088 -10.466 1.00 1.00 C ATOM 1324 C ARG A 78 -13.647 -4.633 -10.832 1.00 1.00 C ATOM 1325 O ARG A 78 -12.602 -4.254 -11.344 1.00 1.00 O ATOM 1326 CB ARG A 78 -14.808 -6.715 -11.476 1.00 1.00 C ATOM 1327 CG ARG A 78 -15.202 -8.146 -11.161 1.00 1.00 C ATOM 1328 CD ARG A 78 -16.268 -8.658 -12.131 1.00 1.00 C ATOM 1329 NE ARG A 78 -15.769 -8.776 -13.512 1.00 1.00 N ATOM 1330 CZ ARG A 78 -16.459 -8.482 -14.588 1.00 1.00 C ATOM 1331 NH1 ARG A 78 -17.625 -7.912 -14.507 1.00 1.00 N ATOM 1332 NH2 ARG A 78 -15.952 -8.735 -15.758 1.00 1.00 N ATOM 0 H ARG A 78 -15.323 -6.699 -9.156 1.00 1.00 H new ATOM 0 HA ARG A 78 -12.878 -6.578 -10.478 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -15.710 -6.106 -11.530 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -14.345 -6.687 -12.463 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -14.322 -8.787 -11.214 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -15.579 -8.205 -10.140 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -16.624 -9.631 -11.793 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -17.123 -7.983 -12.114 1.00 1.00 H new ATOM 0 HE ARG A 78 -14.815 -9.112 -13.641 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -18.019 -7.685 -13.594 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -18.145 -7.692 -15.356 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -15.027 -9.158 -15.832 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -16.479 -8.511 -16.602 1.00 1.00 H new ATOM 1346 N ALA A 79 -14.635 -3.805 -10.556 1.00 1.00 N ATOM 1347 CA ALA A 79 -14.522 -2.409 -10.926 1.00 1.00 C ATOM 1348 C ALA A 79 -13.666 -1.616 -9.947 1.00 1.00 C ATOM 1349 O ALA A 79 -13.076 -0.610 -10.318 1.00 1.00 O ATOM 1350 CB ALA A 79 -15.882 -1.782 -11.122 1.00 1.00 C ATOM 0 H ALA A 79 -15.504 -4.065 -10.089 1.00 1.00 H new ATOM 0 HA ALA A 79 -14.003 -2.374 -11.884 1.00 1.00 H new ATOM 0 HB1 ALA A 79 -15.763 -0.734 -11.399 1.00 1.00 H new ATOM 0 HB2 ALA A 79 -16.415 -2.309 -11.914 1.00 1.00 H new ATOM 0 HB3 ALA A 79 -16.451 -1.850 -10.195 1.00 1.00 H new ATOM 1356 N LEU A 80 -13.570 -2.056 -8.707 1.00 1.00 N ATOM 1357 CA LEU A 80 -12.727 -1.355 -7.765 1.00 1.00 C ATOM 1358 C LEU A 80 -11.265 -1.649 -8.092 1.00 1.00 C ATOM 1359 O LEU A 80 -10.387 -0.820 -7.870 1.00 1.00 O ATOM 1360 CB LEU A 80 -13.058 -1.743 -6.331 1.00 1.00 C ATOM 1361 CG LEU A 80 -12.298 -0.974 -5.245 1.00 1.00 C ATOM 1362 CD1 LEU A 80 -12.674 0.502 -5.259 1.00 1.00 C ATOM 1363 CD2 LEU A 80 -12.581 -1.582 -3.881 1.00 1.00 C ATOM 0 H LEU A 80 -14.053 -2.875 -8.337 1.00 1.00 H new ATOM 0 HA LEU A 80 -12.907 -0.284 -7.853 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -14.127 -1.600 -6.172 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -12.857 -2.807 -6.206 1.00 1.00 H new ATOM 0 HG LEU A 80 -11.230 -1.051 -5.451 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -12.121 1.026 -4.479 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -12.427 0.931 -6.230 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -13.744 0.607 -5.078 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -12.036 -1.029 -3.116 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -13.650 -1.530 -3.674 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -12.260 -2.624 -3.873 1.00 1.00 H new ATOM 1375 N ILE A 81 -10.997 -2.811 -8.681 1.00 1.00 N ATOM 1376 CA ILE A 81 -9.620 -3.122 -9.034 1.00 1.00 C ATOM 1377 C ILE A 81 -9.273 -2.356 -10.302 1.00 1.00 C ATOM 1378 O ILE A 81 -8.129 -1.955 -10.530 1.00 1.00 O ATOM 1379 CB ILE A 81 -9.314 -4.650 -9.130 1.00 1.00 C ATOM 1380 CG1 ILE A 81 -10.072 -5.394 -10.245 1.00 1.00 C ATOM 1381 CG2 ILE A 81 -9.633 -5.294 -7.790 1.00 1.00 C ATOM 1382 CD1 ILE A 81 -9.421 -5.314 -11.611 1.00 1.00 C ATOM 0 H ILE A 81 -11.686 -3.526 -8.916 1.00 1.00 H new ATOM 0 HA ILE A 81 -8.970 -2.796 -8.222 1.00 1.00 H new ATOM 0 HB ILE A 81 -8.258 -4.735 -9.387 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -10.168 -6.443 -9.964 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -11.081 -4.988 -10.314 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -9.424 -6.363 -7.841 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -9.018 -4.841 -7.013 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -10.686 -5.141 -7.554 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -10.023 -5.865 -12.334 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -9.349 -4.271 -11.919 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -8.422 -5.748 -11.564 1.00 1.00 H new ATOM 1394 N GLU A 82 -10.309 -2.118 -11.089 1.00 1.00 N ATOM 1395 CA GLU A 82 -10.222 -1.346 -12.312 1.00 1.00 C ATOM 1396 C GLU A 82 -10.027 0.150 -12.013 1.00 1.00 C ATOM 1397 O GLU A 82 -9.159 0.796 -12.580 1.00 1.00 O ATOM 1398 CB GLU A 82 -11.522 -1.530 -13.101 1.00 1.00 C ATOM 1399 CG GLU A 82 -11.526 -0.862 -14.464 1.00 1.00 C ATOM 1400 CD GLU A 82 -10.499 -1.472 -15.394 1.00 1.00 C ATOM 1401 OE1 GLU A 82 -10.808 -2.501 -16.031 1.00 1.00 O ATOM 1402 OE2 GLU A 82 -9.364 -0.960 -15.454 1.00 1.00 O ATOM 0 H GLU A 82 -11.248 -2.463 -10.891 1.00 1.00 H new ATOM 0 HA GLU A 82 -9.364 -1.697 -12.886 1.00 1.00 H new ATOM 0 HB2 GLU A 82 -11.706 -2.596 -13.232 1.00 1.00 H new ATOM 0 HB3 GLU A 82 -12.349 -1.133 -12.513 1.00 1.00 H new ATOM 0 HG2 GLU A 82 -12.517 -0.951 -14.909 1.00 1.00 H new ATOM 0 HG3 GLU A 82 -11.323 0.203 -14.347 1.00 1.00 H new ATOM 1409 N LYS A 83 -10.802 0.683 -11.073 1.00 1.00 N ATOM 1410 CA LYS A 83 -10.731 2.119 -10.769 1.00 1.00 C ATOM 1411 C LYS A 83 -9.506 2.506 -9.952 1.00 1.00 C ATOM 1412 O LYS A 83 -8.944 3.579 -10.149 1.00 1.00 O ATOM 1413 CB LYS A 83 -11.999 2.595 -10.068 1.00 1.00 C ATOM 1414 CG LYS A 83 -13.239 2.340 -10.894 1.00 1.00 C ATOM 1415 CD LYS A 83 -14.486 2.884 -10.237 1.00 1.00 C ATOM 1416 CE LYS A 83 -15.721 2.403 -10.969 1.00 1.00 C ATOM 1417 NZ LYS A 83 -16.949 3.065 -10.470 1.00 1.00 N ATOM 0 H LYS A 83 -11.476 0.159 -10.515 1.00 1.00 H new ATOM 0 HA LYS A 83 -10.639 2.620 -11.732 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -12.094 2.088 -9.108 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -11.917 3.661 -9.858 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -13.119 2.797 -11.876 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -13.353 1.268 -11.053 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -14.525 2.564 -9.196 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -14.458 3.974 -10.235 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -15.611 2.598 -12.036 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -15.816 1.324 -10.851 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -17.746 2.398 -10.515 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -16.805 3.367 -9.485 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -17.159 3.896 -11.059 1.00 1.00 H new ATOM 1431 N LEU A 84 -9.093 1.661 -9.029 1.00 1.00 N ATOM 1432 CA LEU A 84 -7.918 1.982 -8.233 1.00 1.00 C ATOM 1433 C LEU A 84 -6.641 1.731 -9.024 1.00 1.00 C ATOM 1434 O LEU A 84 -5.643 2.421 -8.849 1.00 1.00 O ATOM 1435 CB LEU A 84 -7.883 1.160 -6.945 1.00 1.00 C ATOM 1436 CG LEU A 84 -9.021 1.433 -5.963 1.00 1.00 C ATOM 1437 CD1 LEU A 84 -8.847 0.590 -4.711 1.00 1.00 C ATOM 1438 CD2 LEU A 84 -9.080 2.910 -5.608 1.00 1.00 C ATOM 0 H LEU A 84 -9.537 0.769 -8.812 1.00 1.00 H new ATOM 0 HA LEU A 84 -7.980 3.040 -7.977 1.00 1.00 H new ATOM 0 HB2 LEU A 84 -7.899 0.102 -7.208 1.00 1.00 H new ATOM 0 HB3 LEU A 84 -6.936 1.349 -6.439 1.00 1.00 H new ATOM 0 HG LEU A 84 -9.963 1.160 -6.439 1.00 1.00 H new ATOM 0 HD11 LEU A 84 -9.664 0.793 -4.019 1.00 1.00 H new ATOM 0 HD12 LEU A 84 -8.854 -0.466 -4.980 1.00 1.00 H new ATOM 0 HD13 LEU A 84 -7.898 0.837 -4.235 1.00 1.00 H new ATOM 0 HD21 LEU A 84 -9.897 3.084 -4.908 1.00 1.00 H new ATOM 0 HD22 LEU A 84 -8.138 3.212 -5.149 1.00 1.00 H new ATOM 0 HD23 LEU A 84 -9.247 3.495 -6.512 1.00 1.00 H new ATOM 1450 N GLY A 85 -6.683 0.760 -9.917 1.00 1.00 N ATOM 1451 CA GLY A 85 -5.491 0.424 -10.666 1.00 1.00 C ATOM 1452 C GLY A 85 -4.710 -0.589 -9.882 1.00 1.00 C ATOM 1453 O GLY A 85 -3.589 -0.368 -9.438 1.00 1.00 O ATOM 0 H GLY A 85 -7.509 0.203 -10.137 1.00 1.00 H new ATOM 0 HA2 GLY A 85 -5.758 0.023 -11.644 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -4.889 1.315 -10.840 1.00 1.00 H new ATOM 1457 N ILE A 86 -5.345 -1.703 -9.691 1.00 1.00 N ATOM 1458 CA ILE A 86 -4.800 -2.773 -8.910 1.00 1.00 C ATOM 1459 C ILE A 86 -3.858 -3.643 -9.760 1.00 1.00 C ATOM 1460 O ILE A 86 -2.963 -4.327 -9.244 1.00 1.00 O ATOM 1461 CB ILE A 86 -5.981 -3.563 -8.338 1.00 1.00 C ATOM 1462 CG1 ILE A 86 -6.720 -2.733 -7.249 1.00 1.00 C ATOM 1463 CG2 ILE A 86 -5.572 -4.923 -7.832 1.00 1.00 C ATOM 1464 CD1 ILE A 86 -5.890 -2.326 -6.045 1.00 1.00 C ATOM 0 H ILE A 86 -6.268 -1.899 -10.077 1.00 1.00 H new ATOM 0 HA ILE A 86 -4.190 -2.395 -8.090 1.00 1.00 H new ATOM 0 HB ILE A 86 -6.680 -3.744 -9.154 1.00 1.00 H new ATOM 0 HG12 ILE A 86 -7.115 -1.830 -7.715 1.00 1.00 H new ATOM 0 HG13 ILE A 86 -7.575 -3.311 -6.898 1.00 1.00 H new ATOM 0 HG21 ILE A 86 -6.445 -5.442 -7.437 1.00 1.00 H new ATOM 0 HG22 ILE A 86 -5.145 -5.502 -8.650 1.00 1.00 H new ATOM 0 HG23 ILE A 86 -4.830 -4.809 -7.042 1.00 1.00 H new ATOM 0 HD11 ILE A 86 -6.508 -1.753 -5.354 1.00 1.00 H new ATOM 0 HD12 ILE A 86 -5.516 -3.218 -5.543 1.00 1.00 H new ATOM 0 HD13 ILE A 86 -5.049 -1.714 -6.373 1.00 1.00 H new ATOM 1476 N ARG A 87 -4.027 -3.627 -11.075 1.00 1.00 N ATOM 1477 CA ARG A 87 -3.121 -4.385 -11.998 1.00 1.00 C ATOM 1478 C ARG A 87 -1.830 -3.541 -12.180 1.00 1.00 C ATOM 1479 O ARG A 87 -0.716 -4.032 -12.334 1.00 1.00 O ATOM 1480 CB ARG A 87 -3.790 -4.537 -13.361 1.00 1.00 C ATOM 1481 CG ARG A 87 -5.225 -5.051 -13.328 1.00 1.00 C ATOM 1482 CD ARG A 87 -5.799 -5.041 -14.734 1.00 1.00 C ATOM 1483 NE ARG A 87 -7.245 -5.255 -14.775 1.00 1.00 N ATOM 1484 CZ ARG A 87 -8.115 -4.309 -15.051 1.00 1.00 C ATOM 1485 NH1 ARG A 87 -7.747 -3.072 -15.113 1.00 1.00 N ATOM 1486 NH2 ARG A 87 -9.361 -4.607 -15.237 1.00 1.00 N ATOM 0 H ARG A 87 -4.769 -3.110 -11.546 1.00 1.00 H new ATOM 0 HA ARG A 87 -2.901 -5.371 -11.588 1.00 1.00 H new ATOM 0 HB2 ARG A 87 -3.779 -3.569 -13.863 1.00 1.00 H new ATOM 0 HB3 ARG A 87 -3.192 -5.217 -13.967 1.00 1.00 H new ATOM 0 HG2 ARG A 87 -5.251 -6.061 -12.920 1.00 1.00 H new ATOM 0 HG3 ARG A 87 -5.831 -4.427 -12.672 1.00 1.00 H new ATOM 0 HD2 ARG A 87 -5.567 -4.086 -15.206 1.00 1.00 H new ATOM 0 HD3 ARG A 87 -5.308 -5.815 -15.324 1.00 1.00 H new ATOM 0 HE ARG A 87 -7.599 -6.191 -14.578 1.00 1.00 H new ATOM 0 HH11 ARG A 87 -6.772 -2.821 -14.947 1.00 1.00 H new ATOM 0 HH12 ARG A 87 -8.431 -2.347 -15.328 1.00 1.00 H new ATOM 0 HH21 ARG A 87 -9.669 -5.577 -15.169 1.00 1.00 H new ATOM 0 HH22 ARG A 87 -10.035 -3.872 -15.451 1.00 1.00 H new ATOM 1500 N GLY A 88 -2.240 -2.263 -12.089 1.00 1.00 N ATOM 1501 CA GLY A 88 -1.526 -0.967 -12.149 1.00 1.00 C ATOM 1502 C GLY A 88 -1.754 -0.294 -13.480 1.00 1.00 C ATOM 1503 O GLY A 88 -0.741 0.298 -14.006 1.00 1.00 O ATOM 1504 OXT GLY A 88 -2.885 -0.343 -13.955 1.00 1.00 O ATOM 0 H GLY A 88 -3.235 -2.087 -11.950 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -1.871 -0.318 -11.344 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -0.459 -1.126 -11.994 1.00 1.00 H new TER 1508 GLY A 88