USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 685 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 62 ASN : amide:sc= 1.02 X(o=1.9,f=1.7) USER MOD Set 1.2: A 64 SER OG : rot 180:sc= 0.892 USER MOD Single : A 1 MET CE :methyl 158:sc= -0.0754 (180deg=-1.22) USER MOD Single : A 1 MET N :NH3+ -129:sc= 0.121 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.219 K(o=-0.22,f=-4.7!) USER MOD Single : A 4 TYR OH : rot 106:sc= 1.66 USER MOD Single : A 13 GLN : amide:sc= 0.854 K(o=0.85,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.639 K(o=0.64,f=-3) USER MOD Single : A 23 MET CE :methyl 150:sc= -0.494 (180deg=-1.77!) USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= 1.22 (180deg=1.17) USER MOD Single : A 29 LYS NZ :NH3+ -174:sc= 0.758 (180deg=0.747) USER MOD Single : A 35 LYS NZ :NH3+ 164:sc= 1.16 (180deg=0.929) USER MOD Single : A 36 ASN : amide:sc= 0.377 X(o=0.38,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0.979 K(o=0.98,f=-0.15) USER MOD Single : A 55 SER OG : rot 80:sc= 1.25 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc=-0.00218 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -68:sc= 0.861 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0.00455 USER MOD Single : A 83 HIS : no HE2:sc= 1.18 K(o=1.2,f=-4.3!) USER MOD Single : A 84 HIS : no HD1:sc= -0.0382 X(o=-0.038,f=0) USER MOD Single : A 87 SER OG : rot 73:sc= 0.771 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.275 -0.668 1.636 1.00 0.00 N ATOM 2 CA MET A 1 2.708 -0.256 0.326 1.00 0.00 C ATOM 3 C MET A 1 2.839 -1.407 -0.693 1.00 0.00 C ATOM 4 O MET A 1 3.339 -2.478 -0.339 1.00 0.00 O ATOM 5 CB MET A 1 3.336 1.070 -0.160 1.00 0.00 C ATOM 6 CG MET A 1 2.259 1.970 -0.781 1.00 0.00 C ATOM 7 SD MET A 1 2.838 3.484 -1.599 1.00 0.00 S ATOM 8 CE MET A 1 3.874 2.767 -2.902 1.00 0.00 C ATOM 0 H1 MET A 1 2.584 -0.477 2.389 1.00 0.00 H new ATOM 0 H2 MET A 1 3.493 -1.685 1.616 1.00 0.00 H new ATOM 0 H3 MET A 1 4.146 -0.131 1.822 1.00 0.00 H new ATOM 0 HA MET A 1 1.643 -0.054 0.440 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.812 1.583 0.676 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.116 0.864 -0.893 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.701 1.381 -1.509 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.558 2.254 0.004 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.989 3.487 -3.713 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.854 2.521 -2.493 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.403 1.862 -3.285 1.00 0.00 H new ATOM 20 N LEU A 2 2.367 -1.245 -1.939 1.00 0.00 N ATOM 21 CA LEU A 2 2.174 -2.345 -2.881 1.00 0.00 C ATOM 22 C LEU A 2 2.546 -1.903 -4.305 1.00 0.00 C ATOM 23 O LEU A 2 2.907 -0.744 -4.540 1.00 0.00 O ATOM 24 CB LEU A 2 0.698 -2.780 -2.800 1.00 0.00 C ATOM 25 CG LEU A 2 0.471 -4.278 -3.049 1.00 0.00 C ATOM 26 CD1 LEU A 2 0.776 -5.093 -1.788 1.00 0.00 C ATOM 27 CD2 LEU A 2 -0.973 -4.535 -3.488 1.00 0.00 C ATOM 0 H LEU A 2 2.108 -0.335 -2.319 1.00 0.00 H new ATOM 0 HA LEU A 2 2.821 -3.185 -2.627 1.00 0.00 H new ATOM 0 HB2 LEU A 2 0.308 -2.523 -1.815 1.00 0.00 H new ATOM 0 HB3 LEU A 2 0.122 -2.210 -3.529 1.00 0.00 H new ATOM 0 HG LEU A 2 1.149 -4.592 -3.843 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.608 -6.151 -1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 2 1.815 -4.939 -1.498 1.00 0.00 H new ATOM 0 HD13 LEU A 2 0.122 -4.769 -0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -1.117 -5.602 -3.660 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -1.656 -4.198 -2.708 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -1.176 -3.988 -4.409 1.00 0.00 H new ATOM 39 N GLN A 3 2.469 -2.832 -5.257 1.00 0.00 N ATOM 40 CA GLN A 3 2.927 -2.687 -6.632 1.00 0.00 C ATOM 41 C GLN A 3 2.135 -3.644 -7.540 1.00 0.00 C ATOM 42 O GLN A 3 1.543 -4.613 -7.054 1.00 0.00 O ATOM 43 CB GLN A 3 4.436 -3.001 -6.620 1.00 0.00 C ATOM 44 CG GLN A 3 5.222 -2.781 -7.919 1.00 0.00 C ATOM 45 CD GLN A 3 6.688 -3.165 -7.746 1.00 0.00 C ATOM 46 OE1 GLN A 3 7.038 -4.020 -6.939 1.00 0.00 O ATOM 47 NE2 GLN A 3 7.588 -2.496 -8.445 1.00 0.00 N ATOM 0 H GLN A 3 2.065 -3.751 -5.078 1.00 0.00 H new ATOM 0 HA GLN A 3 2.764 -1.683 -7.024 1.00 0.00 H new ATOM 0 HB2 GLN A 3 4.898 -2.394 -5.842 1.00 0.00 H new ATOM 0 HB3 GLN A 3 4.559 -4.043 -6.326 1.00 0.00 H new ATOM 0 HG2 GLN A 3 4.780 -3.374 -8.720 1.00 0.00 H new ATOM 0 HG3 GLN A 3 5.150 -1.736 -8.219 1.00 0.00 H new ATOM 0 HE21 GLN A 3 7.290 -1.786 -9.114 1.00 0.00 H new ATOM 0 HE22 GLN A 3 8.581 -2.689 -8.315 1.00 0.00 H new ATOM 56 N TYR A 4 2.150 -3.397 -8.853 1.00 0.00 N ATOM 57 CA TYR A 4 1.709 -4.345 -9.872 1.00 0.00 C ATOM 58 C TYR A 4 2.754 -4.455 -10.980 1.00 0.00 C ATOM 59 O TYR A 4 3.592 -3.566 -11.160 1.00 0.00 O ATOM 60 CB TYR A 4 0.317 -3.981 -10.450 1.00 0.00 C ATOM 61 CG TYR A 4 0.161 -2.651 -11.196 1.00 0.00 C ATOM 62 CD1 TYR A 4 0.947 -2.319 -12.323 1.00 0.00 C ATOM 63 CD2 TYR A 4 -0.849 -1.752 -10.796 1.00 0.00 C ATOM 64 CE1 TYR A 4 0.820 -1.070 -12.952 1.00 0.00 C ATOM 65 CE2 TYR A 4 -0.988 -0.501 -11.421 1.00 0.00 C ATOM 66 CZ TYR A 4 -0.131 -0.140 -12.483 1.00 0.00 C ATOM 67 OH TYR A 4 -0.208 1.107 -13.025 1.00 0.00 O ATOM 0 H TYR A 4 2.477 -2.513 -9.242 1.00 0.00 H new ATOM 0 HA TYR A 4 1.603 -5.318 -9.392 1.00 0.00 H new ATOM 0 HB2 TYR A 4 0.021 -4.780 -11.130 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.396 -3.984 -9.625 1.00 0.00 H new ATOM 0 HD1 TYR A 4 1.656 -3.037 -12.706 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.524 -2.028 -10.000 1.00 0.00 H new ATOM 0 HE1 TYR A 4 1.450 -0.822 -13.794 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -1.752 0.186 -11.088 1.00 0.00 H new ATOM 0 HH TYR A 4 -1.000 1.166 -13.599 1.00 0.00 H new ATOM 77 N ARG A 5 2.595 -5.487 -11.807 1.00 0.00 N ATOM 78 CA ARG A 5 3.067 -5.546 -13.189 1.00 0.00 C ATOM 79 C ARG A 5 1.858 -6.007 -13.997 1.00 0.00 C ATOM 80 O ARG A 5 1.128 -6.885 -13.543 1.00 0.00 O ATOM 81 CB ARG A 5 4.250 -6.522 -13.302 1.00 0.00 C ATOM 82 CG ARG A 5 4.767 -6.702 -14.743 1.00 0.00 C ATOM 83 CD ARG A 5 5.717 -7.900 -14.870 1.00 0.00 C ATOM 84 NE ARG A 5 5.022 -9.179 -14.617 1.00 0.00 N ATOM 85 CZ ARG A 5 5.487 -10.406 -14.873 1.00 0.00 C ATOM 86 NH1 ARG A 5 6.683 -10.585 -15.427 1.00 0.00 N ATOM 87 NH2 ARG A 5 4.730 -11.450 -14.559 1.00 0.00 N ATOM 0 H ARG A 5 2.114 -6.340 -11.520 1.00 0.00 H new ATOM 0 HA ARG A 5 3.437 -4.588 -13.555 1.00 0.00 H new ATOM 0 HB2 ARG A 5 5.066 -6.164 -12.674 1.00 0.00 H new ATOM 0 HB3 ARG A 5 3.948 -7.493 -12.910 1.00 0.00 H new ATOM 0 HG2 ARG A 5 3.921 -6.838 -15.417 1.00 0.00 H new ATOM 0 HG3 ARG A 5 5.283 -5.795 -15.058 1.00 0.00 H new ATOM 0 HD2 ARG A 5 6.153 -7.914 -15.869 1.00 0.00 H new ATOM 0 HD3 ARG A 5 6.540 -7.788 -14.165 1.00 0.00 H new ATOM 0 HE ARG A 5 4.091 -9.120 -14.204 1.00 0.00 H new ATOM 0 HH11 ARG A 5 7.261 -9.779 -15.664 1.00 0.00 H new ATOM 0 HH12 ARG A 5 7.022 -11.528 -15.615 1.00 0.00 H new ATOM 0 HH21 ARG A 5 3.815 -11.306 -14.132 1.00 0.00 H new ATOM 0 HH22 ARG A 5 5.063 -12.396 -14.745 1.00 0.00 H new ATOM 101 N ILE A 6 1.616 -5.434 -15.169 1.00 0.00 N ATOM 102 CA ILE A 6 0.435 -5.699 -15.986 1.00 0.00 C ATOM 103 C ILE A 6 0.931 -5.839 -17.421 1.00 0.00 C ATOM 104 O ILE A 6 1.870 -5.145 -17.814 1.00 0.00 O ATOM 105 CB ILE A 6 -0.583 -4.541 -15.820 1.00 0.00 C ATOM 106 CG1 ILE A 6 -1.123 -4.475 -14.375 1.00 0.00 C ATOM 107 CG2 ILE A 6 -1.764 -4.642 -16.806 1.00 0.00 C ATOM 108 CD1 ILE A 6 -1.903 -3.195 -14.073 1.00 0.00 C ATOM 0 H ILE A 6 2.250 -4.755 -15.590 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.085 -6.609 -15.687 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.036 -3.625 -16.045 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.769 -5.335 -14.197 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.288 -4.555 -13.679 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.445 -3.806 -16.645 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.388 -4.612 -17.829 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.295 -5.580 -16.642 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.252 -3.217 -13.041 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.255 -2.331 -14.218 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.759 -3.123 -14.744 1.00 0.00 H new ATOM 120 N ILE A 7 0.278 -6.693 -18.208 1.00 0.00 N ATOM 121 CA ILE A 7 0.483 -6.813 -19.644 1.00 0.00 C ATOM 122 C ILE A 7 -0.902 -6.805 -20.288 1.00 0.00 C ATOM 123 O ILE A 7 -1.817 -7.462 -19.783 1.00 0.00 O ATOM 124 CB ILE A 7 1.290 -8.077 -20.053 1.00 0.00 C ATOM 125 CG1 ILE A 7 1.546 -9.153 -18.965 1.00 0.00 C ATOM 126 CG2 ILE A 7 2.600 -7.653 -20.732 1.00 0.00 C ATOM 127 CD1 ILE A 7 2.750 -8.909 -18.041 1.00 0.00 C ATOM 0 H ILE A 7 -0.427 -7.337 -17.850 1.00 0.00 H new ATOM 0 HA ILE A 7 1.091 -5.978 -19.991 1.00 0.00 H new ATOM 0 HB ILE A 7 0.629 -8.601 -20.744 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.651 -9.236 -18.348 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.683 -10.115 -19.459 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.165 -8.540 -21.018 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.375 -7.064 -21.621 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.191 -7.054 -20.040 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.829 -9.725 -17.323 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.662 -8.860 -18.636 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.614 -7.968 -17.508 1.00 0.00 H new ATOM 139 N VAL A 8 -1.065 -6.051 -21.377 1.00 0.00 N ATOM 140 CA VAL A 8 -2.352 -5.799 -22.017 1.00 0.00 C ATOM 141 C VAL A 8 -2.197 -5.738 -23.537 1.00 0.00 C ATOM 142 O VAL A 8 -1.144 -5.352 -24.051 1.00 0.00 O ATOM 143 CB VAL A 8 -2.978 -4.490 -21.478 1.00 0.00 C ATOM 144 CG1 VAL A 8 -3.629 -4.707 -20.111 1.00 0.00 C ATOM 145 CG2 VAL A 8 -1.997 -3.312 -21.371 1.00 0.00 C ATOM 0 H VAL A 8 -0.286 -5.589 -21.847 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.022 -6.624 -21.777 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.726 -4.222 -22.224 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.059 -3.769 -19.760 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.415 -5.457 -20.197 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.877 -5.050 -19.400 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.520 -2.437 -20.985 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.184 -3.576 -20.695 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.591 -3.086 -22.357 1.00 0.00 H new ATOM 155 N ASP A 9 -3.274 -6.055 -24.251 1.00 0.00 N ATOM 156 CA ASP A 9 -3.418 -5.864 -25.692 1.00 0.00 C ATOM 157 C ASP A 9 -4.849 -5.401 -25.965 1.00 0.00 C ATOM 158 O ASP A 9 -5.750 -5.677 -25.169 1.00 0.00 O ATOM 159 CB ASP A 9 -3.111 -7.162 -26.451 1.00 0.00 C ATOM 160 CG ASP A 9 -3.349 -7.013 -27.961 1.00 0.00 C ATOM 161 OD1 ASP A 9 -2.863 -6.027 -28.557 1.00 0.00 O ATOM 162 OD2 ASP A 9 -4.012 -7.889 -28.562 1.00 0.00 O ATOM 0 H ASP A 9 -4.103 -6.468 -23.825 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.708 -5.114 -26.041 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.075 -7.450 -26.274 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -3.736 -7.966 -26.063 1.00 0.00 H new ATOM 167 N GLY A 10 -5.053 -4.664 -27.053 1.00 0.00 N ATOM 168 CA GLY A 10 -6.289 -3.987 -27.407 1.00 0.00 C ATOM 169 C GLY A 10 -5.905 -2.755 -28.215 1.00 0.00 C ATOM 170 O GLY A 10 -4.830 -2.727 -28.826 1.00 0.00 O ATOM 0 H GLY A 10 -4.319 -4.517 -27.746 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.936 -4.644 -27.989 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.844 -3.704 -26.512 1.00 0.00 H new ATOM 174 N ARG A 11 -6.726 -1.703 -28.183 1.00 0.00 N ATOM 175 CA ARG A 11 -6.268 -0.382 -28.607 1.00 0.00 C ATOM 176 C ARG A 11 -5.383 0.175 -27.489 1.00 0.00 C ATOM 177 O ARG A 11 -5.839 0.999 -26.698 1.00 0.00 O ATOM 178 CB ARG A 11 -7.447 0.539 -28.989 1.00 0.00 C ATOM 179 CG ARG A 11 -6.943 1.854 -29.612 1.00 0.00 C ATOM 180 CD ARG A 11 -8.082 2.826 -29.934 1.00 0.00 C ATOM 181 NE ARG A 11 -8.919 2.353 -31.055 1.00 0.00 N ATOM 182 CZ ARG A 11 -10.257 2.267 -31.085 1.00 0.00 C ATOM 183 NH1 ARG A 11 -10.998 2.513 -30.007 1.00 0.00 N ATOM 184 NH2 ARG A 11 -10.857 1.924 -32.221 1.00 0.00 N ATOM 0 H ARG A 11 -7.697 -1.740 -27.873 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.678 -0.448 -29.521 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.100 0.025 -29.695 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.044 0.758 -28.103 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.244 2.333 -28.926 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.391 1.631 -30.525 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.704 2.959 -29.049 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.665 3.802 -30.181 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.426 2.060 -31.898 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.550 2.775 -29.129 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.014 2.440 -30.059 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.300 1.731 -33.054 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.874 1.854 -32.260 1.00 0.00 H new ATOM 198 N VAL A 12 -4.137 -0.295 -27.414 1.00 0.00 N ATOM 199 CA VAL A 12 -3.146 0.124 -26.418 1.00 0.00 C ATOM 200 C VAL A 12 -1.989 0.897 -27.072 1.00 0.00 C ATOM 201 O VAL A 12 -1.082 1.359 -26.379 1.00 0.00 O ATOM 202 CB VAL A 12 -2.682 -1.095 -25.577 1.00 0.00 C ATOM 203 CG1 VAL A 12 -3.839 -1.685 -24.761 1.00 0.00 C ATOM 204 CG2 VAL A 12 -2.061 -2.239 -26.400 1.00 0.00 C ATOM 0 H VAL A 12 -3.778 -0.997 -28.061 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.609 0.825 -25.724 1.00 0.00 H new ATOM 0 HB VAL A 12 -1.907 -0.687 -24.928 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.480 -2.537 -24.184 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.230 -0.926 -24.083 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.630 -2.012 -25.436 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.765 -3.048 -25.733 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.793 -2.610 -27.118 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.185 -1.870 -26.933 1.00 0.00 H new ATOM 214 N GLN A 13 -1.995 1.059 -28.402 1.00 0.00 N ATOM 215 CA GLN A 13 -0.953 1.728 -29.185 1.00 0.00 C ATOM 216 C GLN A 13 -1.608 2.572 -30.299 1.00 0.00 C ATOM 217 O GLN A 13 -1.075 2.671 -31.407 1.00 0.00 O ATOM 218 CB GLN A 13 0.047 0.688 -29.744 1.00 0.00 C ATOM 219 CG GLN A 13 0.895 -0.061 -28.702 1.00 0.00 C ATOM 220 CD GLN A 13 1.982 0.808 -28.064 1.00 0.00 C ATOM 221 OE1 GLN A 13 3.085 0.931 -28.585 1.00 0.00 O ATOM 222 NE2 GLN A 13 1.718 1.411 -26.914 1.00 0.00 N ATOM 0 H GLN A 13 -2.758 0.713 -28.983 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.384 2.405 -28.547 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.510 -0.047 -30.325 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.721 1.196 -30.434 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.240 -0.444 -27.919 1.00 0.00 H new ATOM 0 HG3 GLN A 13 1.362 -0.924 -29.177 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.800 1.307 -26.483 1.00 0.00 H new ATOM 0 HE22 GLN A 13 2.433 1.979 -26.460 1.00 0.00 H new ATOM 281 N ARG A 18 -0.143 4.191 -25.268 1.00 0.00 N ATOM 282 CA ARG A 18 0.283 3.896 -23.897 1.00 0.00 C ATOM 283 C ARG A 18 0.201 5.122 -22.980 1.00 0.00 C ATOM 284 O ARG A 18 0.223 4.961 -21.763 1.00 0.00 O ATOM 285 CB ARG A 18 1.664 3.222 -23.875 1.00 0.00 C ATOM 286 CG ARG A 18 2.813 4.001 -24.537 1.00 0.00 C ATOM 287 CD ARG A 18 4.105 3.172 -24.494 1.00 0.00 C ATOM 288 NE ARG A 18 5.184 3.806 -25.273 1.00 0.00 N ATOM 289 CZ ARG A 18 6.483 3.857 -24.947 1.00 0.00 C ATOM 290 NH1 ARG A 18 6.936 3.382 -23.791 1.00 0.00 N ATOM 291 NH2 ARG A 18 7.363 4.405 -25.777 1.00 0.00 N ATOM 0 HA ARG A 18 -0.425 3.178 -23.484 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.934 3.030 -22.837 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.580 2.253 -24.367 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.556 4.235 -25.570 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.963 4.950 -24.023 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.426 3.051 -23.459 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.911 2.174 -24.886 1.00 0.00 H new ATOM 0 HE ARG A 18 4.914 4.252 -26.150 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.289 2.964 -23.123 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.931 3.436 -23.572 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.052 4.790 -26.669 1.00 0.00 H new ATOM 0 HH22 ARG A 18 8.350 4.441 -25.523 1.00 0.00 H new ATOM 305 N TYR A 19 0.068 6.338 -23.520 1.00 0.00 N ATOM 306 CA TYR A 19 -0.198 7.512 -22.699 1.00 0.00 C ATOM 307 C TYR A 19 -1.523 7.358 -21.941 1.00 0.00 C ATOM 308 O TYR A 19 -1.601 7.824 -20.804 1.00 0.00 O ATOM 309 CB TYR A 19 -0.164 8.784 -23.558 1.00 0.00 C ATOM 310 CG TYR A 19 -0.322 10.072 -22.774 1.00 0.00 C ATOM 311 CD1 TYR A 19 0.791 10.646 -22.129 1.00 0.00 C ATOM 312 CD2 TYR A 19 -1.580 10.702 -22.694 1.00 0.00 C ATOM 313 CE1 TYR A 19 0.653 11.842 -21.403 1.00 0.00 C ATOM 314 CE2 TYR A 19 -1.720 11.909 -21.986 1.00 0.00 C ATOM 315 CZ TYR A 19 -0.606 12.482 -21.330 1.00 0.00 C ATOM 316 OH TYR A 19 -0.761 13.645 -20.636 1.00 0.00 O ATOM 0 H TYR A 19 0.141 6.529 -24.519 1.00 0.00 H new ATOM 0 HA TYR A 19 0.588 7.604 -21.949 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.781 8.816 -24.101 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.958 8.726 -24.303 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.756 10.165 -22.193 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.438 10.257 -23.177 1.00 0.00 H new ATOM 0 HE1 TYR A 19 1.508 12.272 -20.902 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.681 12.400 -21.943 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.694 13.940 -20.696 1.00 0.00 H new ATOM 326 N PHE A 20 -2.540 6.677 -22.499 1.00 0.00 N ATOM 327 CA PHE A 20 -3.832 6.531 -21.824 1.00 0.00 C ATOM 328 C PHE A 20 -3.672 5.941 -20.425 1.00 0.00 C ATOM 329 O PHE A 20 -4.195 6.507 -19.462 1.00 0.00 O ATOM 330 CB PHE A 20 -4.875 5.763 -22.672 1.00 0.00 C ATOM 331 CG PHE A 20 -5.283 4.362 -22.213 1.00 0.00 C ATOM 332 CD1 PHE A 20 -6.127 4.187 -21.094 1.00 0.00 C ATOM 333 CD2 PHE A 20 -4.865 3.225 -22.932 1.00 0.00 C ATOM 334 CE1 PHE A 20 -6.554 2.900 -20.711 1.00 0.00 C ATOM 335 CE2 PHE A 20 -5.315 1.943 -22.570 1.00 0.00 C ATOM 336 CZ PHE A 20 -6.158 1.778 -21.458 1.00 0.00 C ATOM 0 H PHE A 20 -2.488 6.223 -23.411 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.234 7.537 -21.706 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.777 6.373 -22.725 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.486 5.682 -23.687 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -6.448 5.048 -20.527 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -4.192 3.339 -23.769 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -7.185 2.776 -19.844 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -5.012 1.083 -23.148 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.500 0.792 -21.179 1.00 0.00 H new ATOM 346 N VAL A 21 -2.920 4.846 -20.281 1.00 0.00 N ATOM 347 CA VAL A 21 -2.756 4.252 -18.972 1.00 0.00 C ATOM 348 C VAL A 21 -2.009 5.211 -18.049 1.00 0.00 C ATOM 349 O VAL A 21 -2.325 5.261 -16.870 1.00 0.00 O ATOM 350 CB VAL A 21 -2.120 2.855 -19.042 1.00 0.00 C ATOM 351 CG1 VAL A 21 -3.096 1.856 -19.679 1.00 0.00 C ATOM 352 CG2 VAL A 21 -0.779 2.763 -19.777 1.00 0.00 C ATOM 0 H VAL A 21 -2.431 4.371 -21.039 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.744 4.090 -18.540 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.906 2.612 -18.001 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.632 0.871 -19.722 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.005 1.803 -19.080 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.345 2.184 -20.688 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.426 1.732 -19.763 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.907 3.089 -20.809 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.048 3.403 -19.282 1.00 0.00 H new ATOM 362 N GLN A 22 -1.108 6.055 -18.554 1.00 0.00 N ATOM 363 CA GLN A 22 -0.421 7.007 -17.693 1.00 0.00 C ATOM 364 C GLN A 22 -1.325 8.179 -17.293 1.00 0.00 C ATOM 365 O GLN A 22 -1.139 8.732 -16.209 1.00 0.00 O ATOM 366 CB GLN A 22 0.905 7.437 -18.322 1.00 0.00 C ATOM 367 CG GLN A 22 1.826 6.259 -18.701 1.00 0.00 C ATOM 368 CD GLN A 22 2.086 5.217 -17.596 1.00 0.00 C ATOM 369 OE1 GLN A 22 1.190 4.546 -17.102 1.00 0.00 O ATOM 370 NE2 GLN A 22 3.330 5.009 -17.195 1.00 0.00 N ATOM 0 H GLN A 22 -0.843 6.096 -19.538 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.175 6.511 -16.754 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.698 8.026 -19.215 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.432 8.089 -17.625 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.392 5.747 -19.560 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.785 6.664 -19.023 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.093 5.557 -17.593 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.526 4.301 -16.488 1.00 0.00 H new ATOM 379 N MET A 23 -2.354 8.501 -18.084 1.00 0.00 N ATOM 380 CA MET A 23 -3.426 9.390 -17.622 1.00 0.00 C ATOM 381 C MET A 23 -4.155 8.728 -16.453 1.00 0.00 C ATOM 382 O MET A 23 -4.354 9.350 -15.411 1.00 0.00 O ATOM 383 CB MET A 23 -4.469 9.713 -18.705 1.00 0.00 C ATOM 384 CG MET A 23 -3.926 10.375 -19.969 1.00 0.00 C ATOM 385 SD MET A 23 -5.231 11.064 -21.034 1.00 0.00 S ATOM 386 CE MET A 23 -6.085 9.566 -21.610 1.00 0.00 C ATOM 0 H MET A 23 -2.467 8.163 -19.040 1.00 0.00 H new ATOM 0 HA MET A 23 -2.947 10.326 -17.335 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.971 8.788 -18.988 1.00 0.00 H new ATOM 0 HB3 MET A 23 -5.226 10.366 -18.271 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.238 11.172 -19.687 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.351 9.643 -20.537 1.00 0.00 H new ATOM 0 HE1 MET A 23 -7.135 9.794 -21.793 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.623 9.216 -22.533 1.00 0.00 H new ATOM 0 HE3 MET A 23 -6.010 8.789 -20.849 1.00 0.00 H new ATOM 396 N GLU A 24 -4.541 7.459 -16.609 1.00 0.00 N ATOM 397 CA GLU A 24 -5.280 6.735 -15.579 1.00 0.00 C ATOM 398 C GLU A 24 -4.418 6.530 -14.321 1.00 0.00 C ATOM 399 O GLU A 24 -4.945 6.529 -13.209 1.00 0.00 O ATOM 400 CB GLU A 24 -5.821 5.413 -16.157 1.00 0.00 C ATOM 401 CG GLU A 24 -6.797 5.614 -17.337 1.00 0.00 C ATOM 402 CD GLU A 24 -8.064 6.374 -16.921 1.00 0.00 C ATOM 403 OE1 GLU A 24 -9.025 5.734 -16.442 1.00 0.00 O ATOM 404 OE2 GLU A 24 -8.101 7.619 -17.024 1.00 0.00 O ATOM 0 H GLU A 24 -4.350 6.910 -17.448 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.138 7.329 -15.264 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.983 4.800 -16.489 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.328 4.860 -15.366 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.293 6.161 -18.134 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.076 4.642 -17.745 1.00 0.00 H new ATOM 411 N ALA A 25 -3.096 6.424 -14.484 1.00 0.00 N ATOM 412 CA ALA A 25 -2.128 6.345 -13.403 1.00 0.00 C ATOM 413 C ALA A 25 -2.069 7.668 -12.647 1.00 0.00 C ATOM 414 O ALA A 25 -2.143 7.667 -11.421 1.00 0.00 O ATOM 415 CB ALA A 25 -0.749 5.999 -13.976 1.00 0.00 C ATOM 0 H ALA A 25 -2.663 6.390 -15.407 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.433 5.565 -12.706 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.023 5.940 -13.165 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.799 5.039 -14.490 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.444 6.772 -14.681 1.00 0.00 H new ATOM 421 N ASP A 26 -1.976 8.797 -13.358 1.00 0.00 N ATOM 422 CA ASP A 26 -1.974 10.131 -12.753 1.00 0.00 C ATOM 423 C ASP A 26 -3.279 10.398 -12.004 1.00 0.00 C ATOM 424 O ASP A 26 -3.264 10.924 -10.893 1.00 0.00 O ATOM 425 CB ASP A 26 -1.773 11.206 -13.823 1.00 0.00 C ATOM 426 CG ASP A 26 -1.820 12.609 -13.198 1.00 0.00 C ATOM 427 OD1 ASP A 26 -0.839 13.012 -12.534 1.00 0.00 O ATOM 428 OD2 ASP A 26 -2.830 13.324 -13.386 1.00 0.00 O ATOM 0 H ASP A 26 -1.900 8.810 -14.375 1.00 0.00 H new ATOM 0 HA ASP A 26 -1.148 10.169 -12.043 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -0.815 11.056 -14.321 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.546 11.116 -14.586 1.00 0.00 H new ATOM 433 N LYS A 27 -4.406 9.941 -12.560 1.00 0.00 N ATOM 434 CA LYS A 27 -5.721 9.974 -11.925 1.00 0.00 C ATOM 435 C LYS A 27 -5.759 9.182 -10.608 1.00 0.00 C ATOM 436 O LYS A 27 -6.663 9.403 -9.800 1.00 0.00 O ATOM 437 CB LYS A 27 -6.756 9.540 -12.987 1.00 0.00 C ATOM 438 CG LYS A 27 -8.212 9.374 -12.520 1.00 0.00 C ATOM 439 CD LYS A 27 -8.557 7.929 -12.107 1.00 0.00 C ATOM 440 CE LYS A 27 -8.603 6.923 -13.267 1.00 0.00 C ATOM 441 NZ LYS A 27 -9.715 7.186 -14.214 1.00 0.00 N ATOM 0 H LYS A 27 -4.425 9.526 -13.492 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.974 10.982 -11.598 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.741 10.273 -13.793 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.427 8.592 -13.412 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.394 10.039 -11.676 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.882 9.685 -13.322 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.822 7.589 -11.378 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.525 7.930 -11.606 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.657 6.955 -13.807 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.706 5.915 -12.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.708 6.468 -14.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.621 7.146 -13.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.596 8.129 -14.635 1.00 0.00 H new ATOM 455 N ARG A 28 -4.803 8.285 -10.336 1.00 0.00 N ATOM 456 CA ARG A 28 -4.634 7.587 -9.050 1.00 0.00 C ATOM 457 C ARG A 28 -3.292 7.950 -8.385 1.00 0.00 C ATOM 458 O ARG A 28 -2.894 7.292 -7.424 1.00 0.00 O ATOM 459 CB ARG A 28 -4.785 6.061 -9.262 1.00 0.00 C ATOM 460 CG ARG A 28 -6.169 5.515 -9.660 1.00 0.00 C ATOM 461 CD ARG A 28 -7.298 5.723 -8.636 1.00 0.00 C ATOM 462 NE ARG A 28 -7.766 7.117 -8.590 1.00 0.00 N ATOM 463 CZ ARG A 28 -8.804 7.609 -7.905 1.00 0.00 C ATOM 464 NH1 ARG A 28 -9.574 6.821 -7.159 1.00 0.00 N ATOM 465 NH2 ARG A 28 -9.044 8.913 -7.991 1.00 0.00 N ATOM 0 H ARG A 28 -4.102 8.015 -11.026 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.415 7.915 -8.364 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.074 5.760 -10.032 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.484 5.565 -8.339 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.466 5.984 -10.598 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.074 4.447 -9.854 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -8.135 5.070 -8.885 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.946 5.428 -7.647 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.236 7.788 -9.146 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.377 5.822 -7.102 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.361 7.216 -6.644 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.445 9.505 -8.566 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -9.827 9.322 -7.482 1.00 0.00 H new ATOM 479 N LYS A 29 -2.601 8.992 -8.868 1.00 0.00 N ATOM 480 CA LYS A 29 -1.260 9.432 -8.462 1.00 0.00 C ATOM 481 C LYS A 29 -0.264 8.271 -8.292 1.00 0.00 C ATOM 482 O LYS A 29 0.598 8.307 -7.412 1.00 0.00 O ATOM 483 CB LYS A 29 -1.362 10.394 -7.252 1.00 0.00 C ATOM 484 CG LYS A 29 -0.646 11.738 -7.482 1.00 0.00 C ATOM 485 CD LYS A 29 0.880 11.685 -7.674 1.00 0.00 C ATOM 486 CE LYS A 29 1.605 11.201 -6.410 1.00 0.00 C ATOM 487 NZ LYS A 29 3.073 11.417 -6.487 1.00 0.00 N ATOM 0 H LYS A 29 -2.989 9.588 -9.599 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.820 10.006 -9.277 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.413 10.583 -7.034 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.936 9.909 -6.374 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.083 12.210 -8.362 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.860 12.387 -6.633 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.118 11.020 -8.505 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.246 12.676 -7.944 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.207 11.726 -5.542 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.403 10.140 -6.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.531 10.985 -5.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.443 10.980 -7.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.274 12.437 -6.500 1.00 0.00 H new ATOM 501 N LEU A 30 -0.387 7.226 -9.115 1.00 0.00 N ATOM 502 CA LEU A 30 0.540 6.098 -9.114 1.00 0.00 C ATOM 503 C LEU A 30 1.907 6.555 -9.632 1.00 0.00 C ATOM 504 O LEU A 30 2.011 7.577 -10.320 1.00 0.00 O ATOM 505 CB LEU A 30 -0.022 4.950 -9.973 1.00 0.00 C ATOM 506 CG LEU A 30 -1.295 4.290 -9.412 1.00 0.00 C ATOM 507 CD1 LEU A 30 -1.744 3.176 -10.360 1.00 0.00 C ATOM 508 CD2 LEU A 30 -1.108 3.709 -8.007 1.00 0.00 C ATOM 0 H LEU A 30 -1.136 7.141 -9.802 1.00 0.00 H new ATOM 0 HA LEU A 30 0.662 5.728 -8.096 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.237 5.333 -10.971 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.748 4.187 -10.084 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.050 5.072 -9.335 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.645 2.705 -9.967 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.954 3.597 -11.343 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.953 2.431 -10.446 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.043 3.259 -7.672 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.327 2.949 -8.029 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.821 4.505 -7.319 1.00 0.00 H new ATOM 520 N ALA A 31 2.950 5.773 -9.347 1.00 0.00 N ATOM 521 CA ALA A 31 4.315 6.031 -9.792 1.00 0.00 C ATOM 522 C ALA A 31 4.841 4.756 -10.441 1.00 0.00 C ATOM 523 O ALA A 31 4.697 3.687 -9.853 1.00 0.00 O ATOM 524 CB ALA A 31 5.177 6.439 -8.598 1.00 0.00 C ATOM 0 H ALA A 31 2.864 4.924 -8.788 1.00 0.00 H new ATOM 0 HA ALA A 31 4.344 6.847 -10.514 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.196 6.631 -8.934 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.768 7.342 -8.146 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.183 5.635 -7.862 1.00 0.00 H new ATOM 530 N GLY A 32 5.381 4.834 -11.657 1.00 0.00 N ATOM 531 CA GLY A 32 5.607 3.649 -12.470 1.00 0.00 C ATOM 532 C GLY A 32 6.035 3.995 -13.885 1.00 0.00 C ATOM 533 O GLY A 32 6.264 5.167 -14.194 1.00 0.00 O ATOM 0 H GLY A 32 5.669 5.708 -12.097 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.373 3.030 -12.002 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.694 3.055 -12.504 1.00 0.00 H new ATOM 537 N TRP A 33 6.094 2.994 -14.764 1.00 0.00 N ATOM 538 CA TRP A 33 6.419 3.164 -16.173 1.00 0.00 C ATOM 539 C TRP A 33 5.500 2.337 -17.079 1.00 0.00 C ATOM 540 O TRP A 33 4.886 1.363 -16.629 1.00 0.00 O ATOM 541 CB TRP A 33 7.902 2.845 -16.409 1.00 0.00 C ATOM 542 CG TRP A 33 8.366 1.441 -16.141 1.00 0.00 C ATOM 543 CD1 TRP A 33 8.104 0.357 -16.905 1.00 0.00 C ATOM 544 CD2 TRP A 33 9.233 0.961 -15.065 1.00 0.00 C ATOM 545 NE1 TRP A 33 8.749 -0.749 -16.390 1.00 0.00 N ATOM 546 CE2 TRP A 33 9.484 -0.430 -15.270 1.00 0.00 C ATOM 547 CE3 TRP A 33 9.853 1.565 -13.950 1.00 0.00 C ATOM 548 CZ2 TRP A 33 10.326 -1.172 -14.427 1.00 0.00 C ATOM 549 CZ3 TRP A 33 10.691 0.828 -13.092 1.00 0.00 C ATOM 550 CH2 TRP A 33 10.932 -0.537 -13.329 1.00 0.00 C ATOM 0 H TRP A 33 5.913 2.024 -14.507 1.00 0.00 H new ATOM 0 HA TRP A 33 6.246 4.206 -16.442 1.00 0.00 H new ATOM 0 HB2 TRP A 33 8.135 3.083 -17.447 1.00 0.00 H new ATOM 0 HB3 TRP A 33 8.493 3.518 -15.787 1.00 0.00 H new ATOM 0 HD1 TRP A 33 7.482 0.357 -17.788 1.00 0.00 H new ATOM 0 HE1 TRP A 33 8.689 -1.686 -16.789 1.00 0.00 H new ATOM 0 HE3 TRP A 33 9.681 2.613 -13.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 10.506 -2.219 -14.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 11.152 1.315 -12.245 1.00 0.00 H new ATOM 0 HH2 TRP A 33 11.580 -1.095 -12.670 1.00 0.00 H new ATOM 561 N VAL A 34 5.449 2.706 -18.367 1.00 0.00 N ATOM 562 CA VAL A 34 4.791 1.927 -19.422 1.00 0.00 C ATOM 563 C VAL A 34 5.744 1.732 -20.607 1.00 0.00 C ATOM 564 O VAL A 34 6.532 2.619 -20.951 1.00 0.00 O ATOM 565 CB VAL A 34 3.432 2.557 -19.796 1.00 0.00 C ATOM 566 CG1 VAL A 34 3.581 3.906 -20.509 1.00 0.00 C ATOM 567 CG2 VAL A 34 2.606 1.600 -20.657 1.00 0.00 C ATOM 0 H VAL A 34 5.871 3.569 -18.709 1.00 0.00 H new ATOM 0 HA VAL A 34 4.557 0.927 -19.057 1.00 0.00 H new ATOM 0 HB VAL A 34 2.909 2.741 -18.857 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.594 4.302 -20.748 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.105 4.606 -19.858 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.150 3.771 -21.429 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.653 2.066 -20.908 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.151 1.373 -21.573 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.425 0.678 -20.105 1.00 0.00 H new ATOM 577 N LYS A 35 5.653 0.569 -21.251 1.00 0.00 N ATOM 578 CA LYS A 35 6.565 0.050 -22.270 1.00 0.00 C ATOM 579 C LYS A 35 5.727 -0.731 -23.290 1.00 0.00 C ATOM 580 O LYS A 35 4.605 -1.128 -22.976 1.00 0.00 O ATOM 581 CB LYS A 35 7.562 -0.855 -21.520 1.00 0.00 C ATOM 582 CG LYS A 35 8.686 -1.479 -22.369 1.00 0.00 C ATOM 583 CD LYS A 35 9.654 -2.321 -21.518 1.00 0.00 C ATOM 584 CE LYS A 35 8.920 -3.488 -20.838 1.00 0.00 C ATOM 585 NZ LYS A 35 9.800 -4.328 -19.992 1.00 0.00 N ATOM 0 H LYS A 35 4.889 -0.079 -21.062 1.00 0.00 H new ATOM 0 HA LYS A 35 7.111 0.823 -22.811 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.020 -0.272 -20.721 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.003 -1.662 -21.046 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.248 -2.106 -23.146 1.00 0.00 H new ATOM 0 HG3 LYS A 35 9.241 -0.688 -22.873 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.455 -2.708 -22.148 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.121 -1.690 -20.761 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.112 -3.090 -20.224 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.461 -4.113 -21.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.218 -4.915 -19.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.381 -4.942 -20.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.420 -3.717 -19.423 1.00 0.00 H new ATOM 599 N ASN A 36 6.258 -1.005 -24.483 1.00 0.00 N ATOM 600 CA ASN A 36 5.638 -1.915 -25.448 1.00 0.00 C ATOM 601 C ASN A 36 6.632 -3.034 -25.745 1.00 0.00 C ATOM 602 O ASN A 36 7.776 -2.766 -26.117 1.00 0.00 O ATOM 603 CB ASN A 36 5.219 -1.173 -26.725 1.00 0.00 C ATOM 604 CG ASN A 36 4.558 -2.134 -27.712 1.00 0.00 C ATOM 605 OD1 ASN A 36 5.127 -2.475 -28.743 1.00 0.00 O ATOM 606 ND2 ASN A 36 3.357 -2.604 -27.405 1.00 0.00 N ATOM 0 H ASN A 36 7.135 -0.599 -24.809 1.00 0.00 H new ATOM 0 HA ASN A 36 4.725 -2.338 -25.030 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.528 -0.368 -26.474 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.092 -0.712 -27.187 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.891 -3.261 -28.031 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.899 -2.309 -26.543 1.00 0.00 H new ATOM 613 N ARG A 37 6.218 -4.281 -25.517 1.00 0.00 N ATOM 614 CA ARG A 37 7.056 -5.470 -25.659 1.00 0.00 C ATOM 615 C ARG A 37 7.226 -5.788 -27.139 1.00 0.00 C ATOM 616 O ARG A 37 6.345 -5.487 -27.946 1.00 0.00 O ATOM 617 CB ARG A 37 6.369 -6.657 -24.958 1.00 0.00 C ATOM 618 CG ARG A 37 6.269 -6.495 -23.431 1.00 0.00 C ATOM 619 CD ARG A 37 5.258 -7.478 -22.826 1.00 0.00 C ATOM 620 NE ARG A 37 5.587 -8.881 -23.112 1.00 0.00 N ATOM 621 CZ ARG A 37 6.301 -9.711 -22.342 1.00 0.00 C ATOM 622 NH1 ARG A 37 6.769 -9.344 -21.151 1.00 0.00 N ATOM 623 NH2 ARG A 37 6.541 -10.930 -22.804 1.00 0.00 N ATOM 0 H ARG A 37 5.266 -4.496 -25.221 1.00 0.00 H new ATOM 0 HA ARG A 37 8.032 -5.292 -25.208 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.367 -6.780 -25.369 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.920 -7.570 -25.183 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.249 -6.657 -22.982 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.973 -5.474 -23.191 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.217 -7.332 -21.747 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.264 -7.256 -23.215 1.00 0.00 H new ATOM 0 HE ARG A 37 5.234 -9.263 -23.990 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.587 -8.404 -20.799 1.00 0.00 H new ATOM 0 HH12 ARG A 37 7.310 -10.003 -20.590 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.185 -11.208 -23.719 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.082 -11.590 -22.245 1.00 0.00 H new ATOM 637 N ASP A 38 8.312 -6.482 -27.484 1.00 0.00 N ATOM 638 CA ASP A 38 8.552 -6.960 -28.850 1.00 0.00 C ATOM 639 C ASP A 38 7.443 -7.913 -29.311 1.00 0.00 C ATOM 640 O ASP A 38 7.090 -7.928 -30.491 1.00 0.00 O ATOM 641 CB ASP A 38 9.911 -7.663 -28.927 1.00 0.00 C ATOM 642 CG ASP A 38 10.167 -8.230 -30.334 1.00 0.00 C ATOM 643 OD1 ASP A 38 10.446 -7.443 -31.266 1.00 0.00 O ATOM 644 OD2 ASP A 38 10.130 -9.469 -30.507 1.00 0.00 O ATOM 0 H ASP A 38 9.051 -6.729 -26.826 1.00 0.00 H new ATOM 0 HA ASP A 38 8.552 -6.096 -29.514 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.702 -6.960 -28.666 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.948 -8.470 -28.195 1.00 0.00 H new ATOM 649 N ASP A 39 6.857 -8.674 -28.378 1.00 0.00 N ATOM 650 CA ASP A 39 5.735 -9.577 -28.650 1.00 0.00 C ATOM 651 C ASP A 39 4.413 -8.844 -28.932 1.00 0.00 C ATOM 652 O ASP A 39 3.459 -9.471 -29.399 1.00 0.00 O ATOM 653 CB ASP A 39 5.577 -10.631 -27.538 1.00 0.00 C ATOM 654 CG ASP A 39 4.971 -10.155 -26.212 1.00 0.00 C ATOM 655 OD1 ASP A 39 4.235 -9.149 -26.135 1.00 0.00 O ATOM 656 OD2 ASP A 39 5.193 -10.845 -25.192 1.00 0.00 O ATOM 0 H ASP A 39 7.153 -8.679 -27.402 1.00 0.00 H new ATOM 0 HA ASP A 39 5.986 -10.098 -29.574 1.00 0.00 H new ATOM 0 HB2 ASP A 39 4.957 -11.440 -27.923 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.560 -11.054 -27.329 1.00 0.00 H new ATOM 661 N GLY A 40 4.355 -7.529 -28.693 1.00 0.00 N ATOM 662 CA GLY A 40 3.260 -6.657 -29.088 1.00 0.00 C ATOM 663 C GLY A 40 2.460 -6.112 -27.907 1.00 0.00 C ATOM 664 O GLY A 40 1.887 -5.027 -28.041 1.00 0.00 O ATOM 0 H GLY A 40 5.098 -7.032 -28.202 1.00 0.00 H new ATOM 0 HA2 GLY A 40 3.660 -5.821 -29.662 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.589 -7.206 -29.749 1.00 0.00 H new ATOM 668 N ARG A 41 2.407 -6.809 -26.760 1.00 0.00 N ATOM 669 CA ARG A 41 1.636 -6.317 -25.610 1.00 0.00 C ATOM 670 C ARG A 41 2.264 -5.028 -25.094 1.00 0.00 C ATOM 671 O ARG A 41 3.486 -4.865 -25.119 1.00 0.00 O ATOM 672 CB ARG A 41 1.568 -7.345 -24.463 1.00 0.00 C ATOM 673 CG ARG A 41 0.446 -8.390 -24.558 1.00 0.00 C ATOM 674 CD ARG A 41 0.673 -9.460 -25.630 1.00 0.00 C ATOM 675 NE ARG A 41 1.814 -10.320 -25.279 1.00 0.00 N ATOM 676 CZ ARG A 41 1.771 -11.462 -24.580 1.00 0.00 C ATOM 677 NH1 ARG A 41 0.612 -11.963 -24.157 1.00 0.00 N ATOM 678 NH2 ARG A 41 2.902 -12.095 -24.299 1.00 0.00 N ATOM 0 H ARG A 41 2.880 -7.699 -26.606 1.00 0.00 H new ATOM 0 HA ARG A 41 0.617 -6.139 -25.952 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.522 -7.870 -24.415 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.454 -6.804 -23.524 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.338 -8.879 -23.590 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.494 -7.879 -24.764 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.225 -10.067 -25.739 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.855 -8.983 -26.593 1.00 0.00 H new ATOM 0 HE ARG A 41 2.733 -10.015 -25.601 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.260 -11.476 -24.364 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.596 -12.834 -23.626 1.00 0.00 H new ATOM 0 HH21 ARG A 41 3.793 -11.712 -24.614 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.881 -12.965 -23.767 1.00 0.00 H new ATOM 692 N VAL A 42 1.446 -4.130 -24.559 1.00 0.00 N ATOM 693 CA VAL A 42 1.934 -3.072 -23.689 1.00 0.00 C ATOM 694 C VAL A 42 2.144 -3.704 -22.316 1.00 0.00 C ATOM 695 O VAL A 42 1.403 -4.605 -21.923 1.00 0.00 O ATOM 696 CB VAL A 42 0.939 -1.896 -23.707 1.00 0.00 C ATOM 697 CG1 VAL A 42 1.099 -0.913 -22.541 1.00 0.00 C ATOM 698 CG2 VAL A 42 1.142 -1.130 -25.020 1.00 0.00 C ATOM 0 H VAL A 42 0.438 -4.115 -24.714 1.00 0.00 H new ATOM 0 HA VAL A 42 2.883 -2.646 -24.015 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.059 -2.323 -23.612 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.360 -0.117 -22.632 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.951 -1.440 -21.598 1.00 0.00 H new ATOM 0 HG13 VAL A 42 2.100 -0.482 -22.563 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.449 -0.289 -25.062 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.166 -0.760 -25.071 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.955 -1.796 -25.862 1.00 0.00 H new ATOM 708 N GLU A 43 3.150 -3.225 -21.594 1.00 0.00 N ATOM 709 CA GLU A 43 3.515 -3.680 -20.266 1.00 0.00 C ATOM 710 C GLU A 43 3.588 -2.438 -19.384 1.00 0.00 C ATOM 711 O GLU A 43 4.099 -1.400 -19.813 1.00 0.00 O ATOM 712 CB GLU A 43 4.848 -4.440 -20.341 1.00 0.00 C ATOM 713 CG GLU A 43 5.281 -5.037 -18.994 1.00 0.00 C ATOM 714 CD GLU A 43 6.546 -5.900 -19.140 1.00 0.00 C ATOM 715 OE1 GLU A 43 6.461 -7.011 -19.708 1.00 0.00 O ATOM 716 OE2 GLU A 43 7.634 -5.464 -18.698 1.00 0.00 O ATOM 0 H GLU A 43 3.756 -2.479 -21.935 1.00 0.00 H new ATOM 0 HA GLU A 43 2.788 -4.374 -19.843 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.761 -5.241 -21.075 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.625 -3.764 -20.698 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.468 -4.233 -18.282 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.471 -5.642 -18.586 1.00 0.00 H new ATOM 723 N ILE A 44 3.066 -2.539 -18.166 1.00 0.00 N ATOM 724 CA ILE A 44 2.913 -1.442 -17.228 1.00 0.00 C ATOM 725 C ILE A 44 3.450 -1.966 -15.897 1.00 0.00 C ATOM 726 O ILE A 44 3.215 -3.129 -15.558 1.00 0.00 O ATOM 727 CB ILE A 44 1.422 -1.037 -17.079 1.00 0.00 C ATOM 728 CG1 ILE A 44 0.525 -1.270 -18.322 1.00 0.00 C ATOM 729 CG2 ILE A 44 1.346 0.432 -16.615 1.00 0.00 C ATOM 730 CD1 ILE A 44 -0.962 -0.985 -18.073 1.00 0.00 C ATOM 0 H ILE A 44 2.725 -3.426 -17.794 1.00 0.00 H new ATOM 0 HA ILE A 44 3.447 -0.554 -17.568 1.00 0.00 H new ATOM 0 HB ILE A 44 1.006 -1.714 -16.333 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.876 -0.636 -19.136 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.637 -2.303 -18.652 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.302 0.726 -16.507 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.853 0.537 -15.656 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.829 1.072 -17.353 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.526 -1.170 -18.987 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.330 -1.638 -17.281 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.088 0.055 -17.773 1.00 0.00 H new ATOM 742 N LEU A 45 4.130 -1.130 -15.117 1.00 0.00 N ATOM 743 CA LEU A 45 4.623 -1.510 -13.795 1.00 0.00 C ATOM 744 C LEU A 45 4.583 -0.260 -12.937 1.00 0.00 C ATOM 745 O LEU A 45 5.126 0.760 -13.355 1.00 0.00 O ATOM 746 CB LEU A 45 6.037 -2.096 -13.947 1.00 0.00 C ATOM 747 CG LEU A 45 6.719 -2.523 -12.630 1.00 0.00 C ATOM 748 CD1 LEU A 45 7.767 -3.601 -12.929 1.00 0.00 C ATOM 749 CD2 LEU A 45 7.408 -1.354 -11.914 1.00 0.00 C ATOM 0 H LEU A 45 4.355 -0.171 -15.382 1.00 0.00 H new ATOM 0 HA LEU A 45 4.016 -2.279 -13.317 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.985 -2.962 -14.607 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.668 -1.357 -14.440 1.00 0.00 H new ATOM 0 HG LEU A 45 5.937 -2.902 -11.972 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.251 -3.905 -12.001 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.282 -4.464 -13.385 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.515 -3.201 -13.614 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.871 -1.712 -10.994 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.173 -0.930 -12.564 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.670 -0.588 -11.675 1.00 0.00 H new ATOM 761 N ALA A 46 3.936 -0.309 -11.770 1.00 0.00 N ATOM 762 CA ALA A 46 3.796 0.850 -10.898 1.00 0.00 C ATOM 763 C ALA A 46 3.619 0.421 -9.447 1.00 0.00 C ATOM 764 O ALA A 46 3.170 -0.693 -9.178 1.00 0.00 O ATOM 765 CB ALA A 46 2.575 1.681 -11.311 1.00 0.00 C ATOM 0 H ALA A 46 3.496 -1.155 -11.407 1.00 0.00 H new ATOM 0 HA ALA A 46 4.704 1.445 -10.992 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.482 2.544 -10.651 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.698 2.022 -12.339 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.676 1.069 -11.236 1.00 0.00 H new ATOM 771 N GLU A 47 3.911 1.340 -8.533 1.00 0.00 N ATOM 772 CA GLU A 47 3.686 1.232 -7.102 1.00 0.00 C ATOM 773 C GLU A 47 2.591 2.215 -6.683 1.00 0.00 C ATOM 774 O GLU A 47 2.359 3.235 -7.343 1.00 0.00 O ATOM 775 CB GLU A 47 4.993 1.466 -6.324 1.00 0.00 C ATOM 776 CG GLU A 47 5.557 2.892 -6.450 1.00 0.00 C ATOM 777 CD GLU A 47 6.776 3.117 -5.541 1.00 0.00 C ATOM 778 OE1 GLU A 47 7.804 2.431 -5.728 1.00 0.00 O ATOM 779 OE2 GLU A 47 6.704 3.979 -4.634 1.00 0.00 O ATOM 0 H GLU A 47 4.336 2.231 -8.790 1.00 0.00 H new ATOM 0 HA GLU A 47 3.351 0.223 -6.863 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.819 1.248 -5.270 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.744 0.758 -6.676 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.839 3.079 -7.486 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.779 3.612 -6.197 1.00 0.00 H new ATOM 786 N GLY A 48 1.933 1.908 -5.567 1.00 0.00 N ATOM 787 CA GLY A 48 0.914 2.743 -4.953 1.00 0.00 C ATOM 788 C GLY A 48 0.228 1.993 -3.814 1.00 0.00 C ATOM 789 O GLY A 48 0.560 0.832 -3.557 1.00 0.00 O ATOM 0 H GLY A 48 2.103 1.044 -5.053 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.366 3.660 -4.574 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.177 3.037 -5.700 1.00 0.00 H new ATOM 793 N PRO A 49 -0.716 2.628 -3.106 1.00 0.00 N ATOM 794 CA PRO A 49 -1.557 1.929 -2.150 1.00 0.00 C ATOM 795 C PRO A 49 -2.483 0.956 -2.888 1.00 0.00 C ATOM 796 O PRO A 49 -2.817 1.157 -4.060 1.00 0.00 O ATOM 797 CB PRO A 49 -2.302 3.022 -1.378 1.00 0.00 C ATOM 798 CG PRO A 49 -2.345 4.198 -2.351 1.00 0.00 C ATOM 799 CD PRO A 49 -1.089 4.029 -3.211 1.00 0.00 C ATOM 0 HA PRO A 49 -0.993 1.312 -1.450 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.305 2.699 -1.097 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.782 3.285 -0.457 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.249 4.177 -2.960 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.339 5.151 -1.822 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.286 4.304 -4.247 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.285 4.674 -2.858 1.00 0.00 H new ATOM 807 N GLU A 50 -2.914 -0.100 -2.193 1.00 0.00 N ATOM 808 CA GLU A 50 -3.667 -1.197 -2.792 1.00 0.00 C ATOM 809 C GLU A 50 -4.927 -0.674 -3.484 1.00 0.00 C ATOM 810 O GLU A 50 -5.157 -1.001 -4.644 1.00 0.00 O ATOM 811 CB GLU A 50 -3.990 -2.245 -1.715 1.00 0.00 C ATOM 812 CG GLU A 50 -4.720 -3.472 -2.282 1.00 0.00 C ATOM 813 CD GLU A 50 -4.986 -4.523 -1.189 1.00 0.00 C ATOM 814 OE1 GLU A 50 -6.035 -4.448 -0.509 1.00 0.00 O ATOM 815 OE2 GLU A 50 -4.160 -5.446 -1.006 1.00 0.00 O ATOM 0 H GLU A 50 -2.748 -0.215 -1.193 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.063 -1.678 -3.561 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.064 -2.567 -1.238 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.605 -1.787 -0.941 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.665 -3.161 -2.727 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.123 -3.916 -3.078 1.00 0.00 H new ATOM 822 N ASN A 51 -5.709 0.185 -2.821 1.00 0.00 N ATOM 823 CA ASN A 51 -6.951 0.702 -3.399 1.00 0.00 C ATOM 824 C ASN A 51 -6.697 1.467 -4.698 1.00 0.00 C ATOM 825 O ASN A 51 -7.458 1.307 -5.653 1.00 0.00 O ATOM 826 CB ASN A 51 -7.683 1.602 -2.393 1.00 0.00 C ATOM 827 CG ASN A 51 -8.908 2.250 -3.037 1.00 0.00 C ATOM 828 OD1 ASN A 51 -8.879 3.420 -3.409 1.00 0.00 O ATOM 829 ND2 ASN A 51 -9.995 1.514 -3.195 1.00 0.00 N ATOM 0 H ASN A 51 -5.503 0.535 -1.886 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.580 -0.157 -3.633 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.989 1.014 -1.528 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -7.006 2.375 -2.030 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.825 1.917 -3.631 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -10.004 0.544 -2.881 1.00 0.00 H new ATOM 836 N ALA A 52 -5.627 2.265 -4.757 1.00 0.00 N ATOM 837 CA ALA A 52 -5.265 3.015 -5.953 1.00 0.00 C ATOM 838 C ALA A 52 -4.910 2.055 -7.087 1.00 0.00 C ATOM 839 O ALA A 52 -5.398 2.217 -8.206 1.00 0.00 O ATOM 840 CB ALA A 52 -4.088 3.944 -5.636 1.00 0.00 C ATOM 0 H ALA A 52 -4.990 2.406 -3.973 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.113 3.620 -6.274 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.817 4.505 -6.530 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.374 4.637 -4.845 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.235 3.351 -5.307 1.00 0.00 H new ATOM 846 N LEU A 53 -4.089 1.043 -6.791 1.00 0.00 N ATOM 847 CA LEU A 53 -3.643 0.071 -7.783 1.00 0.00 C ATOM 848 C LEU A 53 -4.820 -0.748 -8.308 1.00 0.00 C ATOM 849 O LEU A 53 -4.959 -0.916 -9.516 1.00 0.00 O ATOM 850 CB LEU A 53 -2.579 -0.851 -7.170 1.00 0.00 C ATOM 851 CG LEU A 53 -1.247 -0.148 -6.851 1.00 0.00 C ATOM 852 CD1 LEU A 53 -0.451 -1.055 -5.923 1.00 0.00 C ATOM 853 CD2 LEU A 53 -0.386 0.149 -8.080 1.00 0.00 C ATOM 0 H LEU A 53 -3.717 0.878 -5.856 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.204 0.609 -8.624 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.976 -1.287 -6.253 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.387 -1.675 -7.858 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.494 0.814 -6.402 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.500 -0.582 -5.679 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.017 -1.225 -5.007 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.266 -2.009 -6.417 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.534 0.644 -7.769 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.142 -0.784 -8.587 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.936 0.799 -8.761 1.00 0.00 H new ATOM 865 N GLN A 54 -5.688 -1.238 -7.426 1.00 0.00 N ATOM 866 CA GLN A 54 -6.841 -2.036 -7.819 1.00 0.00 C ATOM 867 C GLN A 54 -7.820 -1.200 -8.648 1.00 0.00 C ATOM 868 O GLN A 54 -8.287 -1.662 -9.690 1.00 0.00 O ATOM 869 CB GLN A 54 -7.530 -2.658 -6.592 1.00 0.00 C ATOM 870 CG GLN A 54 -6.671 -3.689 -5.833 1.00 0.00 C ATOM 871 CD GLN A 54 -6.164 -4.854 -6.689 1.00 0.00 C ATOM 872 OE1 GLN A 54 -6.896 -5.434 -7.488 1.00 0.00 O ATOM 873 NE2 GLN A 54 -4.901 -5.224 -6.535 1.00 0.00 N ATOM 0 H GLN A 54 -5.610 -1.092 -6.420 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.490 -2.856 -8.445 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.810 -1.860 -5.904 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.453 -3.139 -6.914 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.814 -3.177 -5.397 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.256 -4.091 -5.006 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.304 -4.734 -5.869 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -4.526 -5.998 -7.083 1.00 0.00 H new ATOM 882 N SER A 55 -8.087 0.041 -8.236 1.00 0.00 N ATOM 883 CA SER A 55 -8.959 0.945 -8.987 1.00 0.00 C ATOM 884 C SER A 55 -8.386 1.208 -10.383 1.00 0.00 C ATOM 885 O SER A 55 -9.128 1.198 -11.365 1.00 0.00 O ATOM 886 CB SER A 55 -9.149 2.265 -8.229 1.00 0.00 C ATOM 887 OG SER A 55 -9.679 2.044 -6.934 1.00 0.00 O ATOM 0 H SER A 55 -7.708 0.445 -7.379 1.00 0.00 H new ATOM 0 HA SER A 55 -9.933 0.468 -9.097 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.193 2.782 -8.149 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.818 2.917 -8.791 1.00 0.00 H new ATOM 0 HG SER A 55 -8.961 1.757 -6.331 1.00 0.00 H new ATOM 893 N PHE A 56 -7.065 1.389 -10.487 1.00 0.00 N ATOM 894 CA PHE A 56 -6.382 1.503 -11.761 1.00 0.00 C ATOM 895 C PHE A 56 -6.602 0.244 -12.604 1.00 0.00 C ATOM 896 O PHE A 56 -6.990 0.376 -13.760 1.00 0.00 O ATOM 897 CB PHE A 56 -4.894 1.792 -11.528 1.00 0.00 C ATOM 898 CG PHE A 56 -4.063 1.723 -12.789 1.00 0.00 C ATOM 899 CD1 PHE A 56 -3.581 0.483 -13.252 1.00 0.00 C ATOM 900 CD2 PHE A 56 -3.796 2.894 -13.516 1.00 0.00 C ATOM 901 CE1 PHE A 56 -2.851 0.416 -14.448 1.00 0.00 C ATOM 902 CE2 PHE A 56 -3.048 2.819 -14.698 1.00 0.00 C ATOM 903 CZ PHE A 56 -2.578 1.585 -15.170 1.00 0.00 C ATOM 0 H PHE A 56 -6.445 1.460 -9.680 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.799 2.338 -12.324 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.789 2.783 -11.087 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.502 1.078 -10.804 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.774 -0.416 -12.686 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.165 3.847 -13.166 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.499 -0.538 -14.813 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.831 3.721 -15.251 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.008 1.536 -16.086 1.00 0.00 H new ATOM 913 N VAL A 57 -6.403 -0.962 -12.060 1.00 0.00 N ATOM 914 CA VAL A 57 -6.578 -2.198 -12.824 1.00 0.00 C ATOM 915 C VAL A 57 -8.006 -2.263 -13.381 1.00 0.00 C ATOM 916 O VAL A 57 -8.180 -2.578 -14.560 1.00 0.00 O ATOM 917 CB VAL A 57 -6.223 -3.427 -11.953 1.00 0.00 C ATOM 918 CG1 VAL A 57 -6.581 -4.764 -12.623 1.00 0.00 C ATOM 919 CG2 VAL A 57 -4.721 -3.483 -11.632 1.00 0.00 C ATOM 0 H VAL A 57 -6.120 -1.106 -11.091 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.894 -2.207 -13.673 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.814 -3.299 -11.046 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.308 -5.587 -11.962 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.653 -4.797 -12.819 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.037 -4.857 -13.563 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.512 -4.360 -11.019 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.153 -3.545 -12.560 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.431 -2.583 -11.089 1.00 0.00 H new ATOM 929 N GLU A 58 -9.022 -1.914 -12.583 1.00 0.00 N ATOM 930 CA GLU A 58 -10.403 -1.880 -13.049 1.00 0.00 C ATOM 931 C GLU A 58 -10.572 -0.859 -14.177 1.00 0.00 C ATOM 932 O GLU A 58 -11.244 -1.146 -15.165 1.00 0.00 O ATOM 933 CB GLU A 58 -11.371 -1.573 -11.896 1.00 0.00 C ATOM 934 CG GLU A 58 -11.428 -2.714 -10.875 1.00 0.00 C ATOM 935 CD GLU A 58 -12.498 -2.458 -9.798 1.00 0.00 C ATOM 936 OE1 GLU A 58 -12.201 -1.810 -8.770 1.00 0.00 O ATOM 937 OE2 GLU A 58 -13.652 -2.920 -9.963 1.00 0.00 O ATOM 0 H GLU A 58 -8.906 -1.650 -11.605 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.645 -2.868 -13.439 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -11.061 -0.655 -11.397 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.369 -1.396 -12.298 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.644 -3.651 -11.388 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.453 -2.827 -10.401 1.00 0.00 H new ATOM 944 N ALA A 59 -9.936 0.306 -14.058 1.00 0.00 N ATOM 945 CA ALA A 59 -9.982 1.354 -15.070 1.00 0.00 C ATOM 946 C ALA A 59 -9.366 0.882 -16.397 1.00 0.00 C ATOM 947 O ALA A 59 -9.955 1.117 -17.454 1.00 0.00 O ATOM 948 CB ALA A 59 -9.290 2.616 -14.540 1.00 0.00 C ATOM 0 H ALA A 59 -9.369 0.549 -13.246 1.00 0.00 H new ATOM 0 HA ALA A 59 -11.025 1.594 -15.278 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -9.326 3.397 -15.299 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.800 2.960 -13.641 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.251 2.389 -14.303 1.00 0.00 H new ATOM 954 N VAL A 60 -8.222 0.185 -16.359 1.00 0.00 N ATOM 955 CA VAL A 60 -7.624 -0.410 -17.555 1.00 0.00 C ATOM 956 C VAL A 60 -8.603 -1.438 -18.129 1.00 0.00 C ATOM 957 O VAL A 60 -8.974 -1.341 -19.298 1.00 0.00 O ATOM 958 CB VAL A 60 -6.252 -1.061 -17.248 1.00 0.00 C ATOM 959 CG1 VAL A 60 -5.607 -1.628 -18.518 1.00 0.00 C ATOM 960 CG2 VAL A 60 -5.245 -0.078 -16.644 1.00 0.00 C ATOM 0 H VAL A 60 -7.691 0.020 -15.504 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.438 0.375 -18.289 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.472 -1.849 -16.528 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.646 -2.078 -18.268 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.260 -2.385 -18.951 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.455 -0.825 -19.239 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.304 -0.593 -16.451 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.073 0.742 -17.342 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.640 0.318 -15.708 1.00 0.00 H new ATOM 970 N LYS A 61 -9.050 -2.399 -17.309 1.00 0.00 N ATOM 971 CA LYS A 61 -9.889 -3.514 -17.744 1.00 0.00 C ATOM 972 C LYS A 61 -11.188 -3.019 -18.379 1.00 0.00 C ATOM 973 O LYS A 61 -11.627 -3.577 -19.384 1.00 0.00 O ATOM 974 CB LYS A 61 -10.147 -4.436 -16.540 1.00 0.00 C ATOM 975 CG LYS A 61 -10.886 -5.724 -16.928 1.00 0.00 C ATOM 976 CD LYS A 61 -11.001 -6.675 -15.730 1.00 0.00 C ATOM 977 CE LYS A 61 -11.742 -7.955 -16.142 1.00 0.00 C ATOM 978 NZ LYS A 61 -11.890 -8.909 -15.015 1.00 0.00 N ATOM 0 H LYS A 61 -8.834 -2.420 -16.312 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.372 -4.081 -18.518 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.196 -4.694 -16.075 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.731 -3.897 -15.794 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.881 -5.479 -17.299 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.356 -6.220 -17.741 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.008 -6.925 -15.357 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.533 -6.184 -14.915 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.728 -7.693 -16.525 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.202 -8.439 -16.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -12.396 -9.757 -15.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.949 -9.181 -14.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.429 -8.459 -14.248 1.00 0.00 H new ATOM 992 N ASN A 62 -11.789 -1.965 -17.819 1.00 0.00 N ATOM 993 CA ASN A 62 -13.007 -1.360 -18.345 1.00 0.00 C ATOM 994 C ASN A 62 -12.784 -0.726 -19.721 1.00 0.00 C ATOM 995 O ASN A 62 -13.731 -0.639 -20.502 1.00 0.00 O ATOM 996 CB ASN A 62 -13.534 -0.296 -17.372 1.00 0.00 C ATOM 997 CG ASN A 62 -14.860 0.283 -17.861 1.00 0.00 C ATOM 998 OD1 ASN A 62 -15.858 -0.425 -17.961 1.00 0.00 O ATOM 999 ND2 ASN A 62 -14.908 1.567 -18.172 1.00 0.00 N ATOM 0 H ASN A 62 -11.436 -1.506 -16.979 1.00 0.00 H new ATOM 0 HA ASN A 62 -13.742 -2.158 -18.456 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.667 -0.736 -16.384 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.800 0.503 -17.269 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.781 1.980 -18.499 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -14.072 2.145 -18.085 1.00 0.00 H new ATOM 1006 N GLY A 63 -11.556 -0.289 -20.030 1.00 0.00 N ATOM 1007 CA GLY A 63 -11.254 0.448 -21.250 1.00 0.00 C ATOM 1008 C GLY A 63 -12.109 1.711 -21.334 1.00 0.00 C ATOM 1009 O GLY A 63 -12.831 1.898 -22.313 1.00 0.00 O ATOM 0 H GLY A 63 -10.744 -0.441 -19.432 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.197 0.715 -21.269 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.440 -0.183 -22.119 1.00 0.00 H new ATOM 1013 N SER A 64 -12.109 2.515 -20.265 1.00 0.00 N ATOM 1014 CA SER A 64 -12.944 3.704 -20.142 1.00 0.00 C ATOM 1015 C SER A 64 -12.768 4.718 -21.297 1.00 0.00 C ATOM 1016 O SER A 64 -13.792 5.135 -21.846 1.00 0.00 O ATOM 1017 CB SER A 64 -12.724 4.340 -18.760 1.00 0.00 C ATOM 1018 OG SER A 64 -12.709 3.338 -17.752 1.00 0.00 O ATOM 0 H SER A 64 -11.517 2.351 -19.450 1.00 0.00 H new ATOM 0 HA SER A 64 -13.983 3.386 -20.227 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.782 4.889 -18.751 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.515 5.061 -18.554 1.00 0.00 H new ATOM 0 HG SER A 64 -12.567 3.756 -16.877 1.00 0.00 H new ATOM 1024 N PRO A 65 -11.544 5.131 -21.701 1.00 0.00 N ATOM 1025 CA PRO A 65 -11.358 6.008 -22.857 1.00 0.00 C ATOM 1026 C PRO A 65 -11.490 5.234 -24.185 1.00 0.00 C ATOM 1027 O PRO A 65 -11.856 4.059 -24.219 1.00 0.00 O ATOM 1028 CB PRO A 65 -9.977 6.645 -22.654 1.00 0.00 C ATOM 1029 CG PRO A 65 -9.193 5.583 -21.894 1.00 0.00 C ATOM 1030 CD PRO A 65 -10.256 4.855 -21.070 1.00 0.00 C ATOM 0 HA PRO A 65 -12.128 6.776 -22.926 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -9.504 6.886 -23.606 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -10.045 7.574 -22.088 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -8.680 4.903 -22.574 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -8.431 6.030 -21.256 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -10.059 3.783 -21.046 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -10.249 5.203 -20.037 1.00 0.00 H new ATOM 1038 N PHE A 66 -11.205 5.908 -25.304 1.00 0.00 N ATOM 1039 CA PHE A 66 -11.140 5.308 -26.638 1.00 0.00 C ATOM 1040 C PHE A 66 -10.107 4.176 -26.694 1.00 0.00 C ATOM 1041 O PHE A 66 -10.364 3.147 -27.323 1.00 0.00 O ATOM 1042 CB PHE A 66 -10.839 6.391 -27.696 1.00 0.00 C ATOM 1043 CG PHE A 66 -10.139 7.641 -27.180 1.00 0.00 C ATOM 1044 CD1 PHE A 66 -8.764 7.627 -26.870 1.00 0.00 C ATOM 1045 CD2 PHE A 66 -10.890 8.811 -26.943 1.00 0.00 C ATOM 1046 CE1 PHE A 66 -8.152 8.771 -26.327 1.00 0.00 C ATOM 1047 CE2 PHE A 66 -10.275 9.954 -26.406 1.00 0.00 C ATOM 1048 CZ PHE A 66 -8.905 9.934 -26.094 1.00 0.00 C ATOM 0 H PHE A 66 -11.009 6.909 -25.306 1.00 0.00 H new ATOM 0 HA PHE A 66 -12.112 4.868 -26.861 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.222 5.948 -28.478 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -11.778 6.689 -28.162 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -8.180 6.737 -27.050 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -11.944 8.828 -27.176 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.099 8.755 -26.088 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -10.855 10.848 -26.233 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.432 10.810 -25.676 1.00 0.00 H new ATOM 1058 N SER A 67 -8.947 4.351 -26.060 1.00 0.00 N ATOM 1059 CA SER A 67 -7.964 3.291 -25.898 1.00 0.00 C ATOM 1060 C SER A 67 -8.465 2.310 -24.835 1.00 0.00 C ATOM 1061 O SER A 67 -9.073 2.709 -23.840 1.00 0.00 O ATOM 1062 CB SER A 67 -6.622 3.914 -25.538 1.00 0.00 C ATOM 1063 OG SER A 67 -6.230 4.784 -26.582 1.00 0.00 O ATOM 0 H SER A 67 -8.666 5.239 -25.644 1.00 0.00 H new ATOM 0 HA SER A 67 -7.827 2.730 -26.823 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.700 4.462 -24.599 1.00 0.00 H new ATOM 0 HB3 SER A 67 -5.872 3.137 -25.392 1.00 0.00 H new ATOM 0 HG SER A 67 -5.367 5.193 -26.361 1.00 0.00 H new ATOM 1069 N LYS A 68 -8.281 1.013 -25.078 1.00 0.00 N ATOM 1070 CA LYS A 68 -9.004 -0.047 -24.379 1.00 0.00 C ATOM 1071 C LYS A 68 -8.217 -1.341 -24.467 1.00 0.00 C ATOM 1072 O LYS A 68 -7.354 -1.473 -25.338 1.00 0.00 O ATOM 1073 CB LYS A 68 -10.412 -0.198 -24.993 1.00 0.00 C ATOM 1074 CG LYS A 68 -10.406 -0.762 -26.426 1.00 0.00 C ATOM 1075 CD LYS A 68 -11.746 -0.517 -27.123 1.00 0.00 C ATOM 1076 CE LYS A 68 -11.770 -1.211 -28.493 1.00 0.00 C ATOM 1077 NZ LYS A 68 -13.111 -1.147 -29.131 1.00 0.00 N ATOM 0 H LYS A 68 -7.619 0.666 -25.772 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.118 0.207 -23.325 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.008 -0.853 -24.357 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.903 0.775 -24.997 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.604 -0.296 -26.999 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.198 -1.832 -26.398 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.560 -0.893 -26.503 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.908 0.554 -27.247 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.035 -0.743 -29.148 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.475 -2.254 -28.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.080 -1.628 -30.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.809 -1.616 -28.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.383 -0.153 -29.268 1.00 0.00 H new ATOM 1091 N VAL A 69 -8.559 -2.316 -23.632 1.00 0.00 N ATOM 1092 CA VAL A 69 -7.920 -3.623 -23.638 1.00 0.00 C ATOM 1093 C VAL A 69 -8.963 -4.675 -24.011 1.00 0.00 C ATOM 1094 O VAL A 69 -10.151 -4.528 -23.709 1.00 0.00 O ATOM 1095 CB VAL A 69 -7.198 -3.893 -22.300 1.00 0.00 C ATOM 1096 CG1 VAL A 69 -6.261 -2.725 -21.955 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -8.142 -4.138 -21.115 1.00 0.00 C ATOM 0 H VAL A 69 -9.292 -2.219 -22.929 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.133 -3.665 -24.391 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.636 -4.814 -22.455 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -5.759 -2.929 -21.009 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.517 -2.610 -22.744 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.841 -1.807 -21.867 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.556 -4.319 -20.214 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -8.774 -3.263 -20.966 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -8.768 -5.006 -21.322 1.00 0.00 H new ATOM 1107 N THR A 70 -8.506 -5.741 -24.656 1.00 0.00 N ATOM 1108 CA THR A 70 -9.293 -6.902 -25.048 1.00 0.00 C ATOM 1109 C THR A 70 -8.611 -8.189 -24.545 1.00 0.00 C ATOM 1110 O THR A 70 -9.213 -9.264 -24.581 1.00 0.00 O ATOM 1111 CB THR A 70 -9.516 -6.871 -26.576 1.00 0.00 C ATOM 1112 OG1 THR A 70 -8.296 -6.691 -27.274 1.00 0.00 O ATOM 1113 CG2 THR A 70 -10.436 -5.711 -26.989 1.00 0.00 C ATOM 0 H THR A 70 -7.528 -5.823 -24.933 1.00 0.00 H new ATOM 0 HA THR A 70 -10.279 -6.881 -24.585 1.00 0.00 H new ATOM 0 HB THR A 70 -9.969 -7.830 -26.830 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.470 -6.677 -28.238 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.570 -5.721 -28.071 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.405 -5.824 -26.502 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.986 -4.765 -26.688 1.00 0.00 H new ATOM 1121 N ASP A 71 -7.393 -8.078 -24.001 1.00 0.00 N ATOM 1122 CA ASP A 71 -6.703 -9.096 -23.219 1.00 0.00 C ATOM 1123 C ASP A 71 -5.906 -8.365 -22.140 1.00 0.00 C ATOM 1124 O ASP A 71 -5.358 -7.290 -22.402 1.00 0.00 O ATOM 1125 CB ASP A 71 -5.763 -9.917 -24.108 1.00 0.00 C ATOM 1126 CG ASP A 71 -4.921 -10.892 -23.271 1.00 0.00 C ATOM 1127 OD1 ASP A 71 -5.506 -11.778 -22.609 1.00 0.00 O ATOM 1128 OD2 ASP A 71 -3.675 -10.788 -23.285 1.00 0.00 O ATOM 0 H ASP A 71 -6.838 -7.228 -24.103 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.418 -9.789 -22.775 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.346 -10.473 -24.843 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.106 -9.248 -24.663 1.00 0.00 H new ATOM 1133 N ILE A 72 -5.859 -8.924 -20.931 1.00 0.00 N ATOM 1134 CA ILE A 72 -5.180 -8.350 -19.776 1.00 0.00 C ATOM 1135 C ILE A 72 -4.686 -9.503 -18.897 1.00 0.00 C ATOM 1136 O ILE A 72 -5.394 -10.498 -18.717 1.00 0.00 O ATOM 1137 CB ILE A 72 -6.118 -7.359 -19.031 1.00 0.00 C ATOM 1138 CG1 ILE A 72 -5.413 -6.757 -17.791 1.00 0.00 C ATOM 1139 CG2 ILE A 72 -7.487 -7.959 -18.646 1.00 0.00 C ATOM 1140 CD1 ILE A 72 -6.071 -5.477 -17.252 1.00 0.00 C ATOM 0 H ILE A 72 -6.307 -9.817 -20.725 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.315 -7.760 -20.078 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.332 -6.563 -19.744 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.396 -7.505 -16.998 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.376 -6.539 -18.047 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.082 -7.206 -18.130 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.010 -8.280 -19.547 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.337 -8.815 -17.988 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.516 -5.120 -16.384 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.064 -4.710 -18.027 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.100 -5.691 -16.962 1.00 0.00 H new ATOM 1152 N SER A 73 -3.486 -9.354 -18.338 1.00 0.00 N ATOM 1153 CA SER A 73 -2.906 -10.226 -17.326 1.00 0.00 C ATOM 1154 C SER A 73 -2.199 -9.332 -16.305 1.00 0.00 C ATOM 1155 O SER A 73 -1.710 -8.254 -16.656 1.00 0.00 O ATOM 1156 CB SER A 73 -1.920 -11.209 -17.975 1.00 0.00 C ATOM 1157 OG SER A 73 -2.558 -12.044 -18.930 1.00 0.00 O ATOM 0 H SER A 73 -2.866 -8.585 -18.592 1.00 0.00 H new ATOM 0 HA SER A 73 -3.677 -10.819 -16.834 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.117 -10.652 -18.458 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.460 -11.826 -17.203 1.00 0.00 H new ATOM 0 HG SER A 73 -1.899 -12.654 -19.323 1.00 0.00 H new ATOM 1163 N VAL A 74 -2.158 -9.766 -15.044 1.00 0.00 N ATOM 1164 CA VAL A 74 -1.720 -8.953 -13.914 1.00 0.00 C ATOM 1165 C VAL A 74 -0.844 -9.828 -13.009 1.00 0.00 C ATOM 1166 O VAL A 74 -1.084 -11.029 -12.853 1.00 0.00 O ATOM 1167 CB VAL A 74 -2.954 -8.381 -13.166 1.00 0.00 C ATOM 1168 CG1 VAL A 74 -2.558 -7.436 -12.018 1.00 0.00 C ATOM 1169 CG2 VAL A 74 -3.917 -7.625 -14.103 1.00 0.00 C ATOM 0 H VAL A 74 -2.434 -10.711 -14.777 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.131 -8.099 -14.249 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.462 -9.255 -12.758 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.457 -7.063 -11.527 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.948 -7.977 -11.295 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.988 -6.597 -12.417 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.762 -7.246 -13.528 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.392 -6.791 -14.568 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.279 -8.303 -14.876 1.00 0.00 H new ATOM 1179 N THR A 75 0.152 -9.198 -12.396 1.00 0.00 N ATOM 1180 CA THR A 75 1.017 -9.715 -11.347 1.00 0.00 C ATOM 1181 C THR A 75 0.986 -8.635 -10.256 1.00 0.00 C ATOM 1182 O THR A 75 0.834 -7.450 -10.570 1.00 0.00 O ATOM 1183 CB THR A 75 2.450 -9.918 -11.887 1.00 0.00 C ATOM 1184 OG1 THR A 75 2.484 -10.219 -13.276 1.00 0.00 O ATOM 1185 CG2 THR A 75 3.193 -11.037 -11.159 1.00 0.00 C ATOM 0 H THR A 75 0.393 -8.237 -12.640 1.00 0.00 H new ATOM 0 HA THR A 75 0.690 -10.684 -10.971 1.00 0.00 H new ATOM 0 HB THR A 75 2.941 -8.961 -11.709 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.097 -11.107 -13.428 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.195 -11.140 -11.576 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.264 -10.796 -10.098 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.651 -11.974 -11.283 1.00 0.00 H new ATOM 1193 N GLU A 76 1.121 -9.003 -8.985 1.00 0.00 N ATOM 1194 CA GLU A 76 0.925 -8.082 -7.870 1.00 0.00 C ATOM 1195 C GLU A 76 2.078 -8.309 -6.899 1.00 0.00 C ATOM 1196 O GLU A 76 2.412 -9.460 -6.593 1.00 0.00 O ATOM 1197 CB GLU A 76 -0.436 -8.345 -7.200 1.00 0.00 C ATOM 1198 CG GLU A 76 -1.619 -8.212 -8.176 1.00 0.00 C ATOM 1199 CD GLU A 76 -2.973 -8.469 -7.498 1.00 0.00 C ATOM 1200 OE1 GLU A 76 -3.200 -9.576 -6.956 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -3.843 -7.573 -7.539 1.00 0.00 O ATOM 0 H GLU A 76 1.370 -9.950 -8.699 1.00 0.00 H new ATOM 0 HA GLU A 76 0.918 -7.045 -8.206 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.436 -9.347 -6.771 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.571 -7.645 -6.376 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.617 -7.212 -8.609 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.489 -8.916 -8.998 1.00 0.00 H new ATOM 1208 N SER A 77 2.704 -7.230 -6.434 1.00 0.00 N ATOM 1209 CA SER A 77 4.079 -7.265 -5.947 1.00 0.00 C ATOM 1210 C SER A 77 4.291 -6.295 -4.778 1.00 0.00 C ATOM 1211 O SER A 77 3.430 -5.464 -4.480 1.00 0.00 O ATOM 1212 CB SER A 77 5.021 -6.990 -7.139 1.00 0.00 C ATOM 1213 OG SER A 77 4.457 -6.102 -8.102 1.00 0.00 O ATOM 0 H SER A 77 2.271 -6.308 -6.385 1.00 0.00 H new ATOM 0 HA SER A 77 4.308 -8.250 -5.541 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.955 -6.568 -6.767 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.269 -7.934 -7.625 1.00 0.00 H new ATOM 0 HG SER A 77 5.096 -5.962 -8.832 1.00 0.00 H new ATOM 1219 N ARG A 78 5.432 -6.412 -4.086 1.00 0.00 N ATOM 1220 CA ARG A 78 5.812 -5.570 -2.940 1.00 0.00 C ATOM 1221 C ARG A 78 7.204 -4.947 -3.143 1.00 0.00 C ATOM 1222 O ARG A 78 7.681 -4.234 -2.261 1.00 0.00 O ATOM 1223 CB ARG A 78 5.790 -6.402 -1.633 1.00 0.00 C ATOM 1224 CG ARG A 78 4.428 -6.582 -0.935 1.00 0.00 C ATOM 1225 CD ARG A 78 3.388 -7.454 -1.651 1.00 0.00 C ATOM 1226 NE ARG A 78 3.920 -8.785 -2.009 1.00 0.00 N ATOM 1227 CZ ARG A 78 3.502 -9.546 -3.029 1.00 0.00 C ATOM 1228 NH1 ARG A 78 2.444 -9.188 -3.748 1.00 0.00 N ATOM 1229 NH2 ARG A 78 4.161 -10.656 -3.342 1.00 0.00 N ATOM 0 H ARG A 78 6.137 -7.114 -4.313 1.00 0.00 H new ATOM 0 HA ARG A 78 5.085 -4.761 -2.863 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.189 -7.392 -1.856 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.474 -5.935 -0.924 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.607 -7.009 0.052 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.993 -5.594 -0.781 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.515 -7.575 -1.009 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.051 -6.945 -2.554 1.00 0.00 H new ATOM 0 HE ARG A 78 4.672 -9.157 -1.428 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.943 -8.328 -3.525 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.132 -9.773 -4.523 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.985 -10.928 -2.806 1.00 0.00 H new ATOM 0 HH22 ARG A 78 3.843 -11.236 -4.119 1.00 0.00 H new ATOM 1243 N SER A 79 7.877 -5.215 -4.264 1.00 0.00 N ATOM 1244 CA SER A 79 9.273 -4.851 -4.488 1.00 0.00 C ATOM 1245 C SER A 79 9.496 -3.331 -4.559 1.00 0.00 C ATOM 1246 O SER A 79 10.597 -2.873 -4.245 1.00 0.00 O ATOM 1247 CB SER A 79 9.761 -5.531 -5.776 1.00 0.00 C ATOM 1248 OG SER A 79 9.325 -6.886 -5.832 1.00 0.00 O ATOM 0 H SER A 79 7.456 -5.701 -5.056 1.00 0.00 H new ATOM 0 HA SER A 79 9.851 -5.198 -3.632 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.386 -4.988 -6.643 1.00 0.00 H new ATOM 0 HB3 SER A 79 10.849 -5.493 -5.822 1.00 0.00 H new ATOM 0 HG SER A 79 9.646 -7.299 -6.661 1.00 0.00 H new ATOM 1254 N LEU A 80 8.457 -2.565 -4.923 1.00 0.00 N ATOM 1255 CA LEU A 80 8.488 -1.127 -5.217 1.00 0.00 C ATOM 1256 C LEU A 80 9.408 -0.810 -6.410 1.00 0.00 C ATOM 1257 O LEU A 80 10.044 -1.704 -6.977 1.00 0.00 O ATOM 1258 CB LEU A 80 8.806 -0.301 -3.949 1.00 0.00 C ATOM 1259 CG LEU A 80 7.854 -0.529 -2.757 1.00 0.00 C ATOM 1260 CD1 LEU A 80 8.241 0.406 -1.605 1.00 0.00 C ATOM 1261 CD2 LEU A 80 6.375 -0.303 -3.105 1.00 0.00 C ATOM 0 H LEU A 80 7.520 -2.956 -5.026 1.00 0.00 H new ATOM 0 HA LEU A 80 7.490 -0.821 -5.530 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.822 -0.532 -3.630 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.787 0.757 -4.211 1.00 0.00 H new ATOM 0 HG LEU A 80 7.962 -1.575 -2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 80 7.568 0.244 -0.763 1.00 0.00 H new ATOM 0 HD12 LEU A 80 9.265 0.198 -1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.166 1.442 -1.936 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.762 -0.480 -2.221 1.00 0.00 H new ATOM 0 HD22 LEU A 80 6.234 0.723 -3.444 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.078 -0.991 -3.897 1.00 0.00 H new ATOM 1273 N GLU A 81 9.424 0.449 -6.852 1.00 0.00 N ATOM 1274 CA GLU A 81 10.173 0.901 -8.027 1.00 0.00 C ATOM 1275 C GLU A 81 10.757 2.320 -7.866 1.00 0.00 C ATOM 1276 O GLU A 81 11.715 2.660 -8.561 1.00 0.00 O ATOM 1277 CB GLU A 81 9.330 0.715 -9.303 1.00 0.00 C ATOM 1278 CG GLU A 81 8.032 1.534 -9.391 1.00 0.00 C ATOM 1279 CD GLU A 81 8.289 2.979 -9.837 1.00 0.00 C ATOM 1280 OE1 GLU A 81 8.656 3.180 -11.018 1.00 0.00 O ATOM 1281 OE2 GLU A 81 8.161 3.902 -9.007 1.00 0.00 O ATOM 0 H GLU A 81 8.906 1.199 -6.394 1.00 0.00 H new ATOM 0 HA GLU A 81 11.053 0.266 -8.128 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.951 0.966 -10.162 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.074 -0.341 -9.393 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.349 1.055 -10.092 1.00 0.00 H new ATOM 0 HG3 GLU A 81 7.540 1.538 -8.418 1.00 0.00 H new ATOM 1288 N GLY A 82 10.282 3.109 -6.896 1.00 0.00 N ATOM 1289 CA GLY A 82 11.030 4.208 -6.297 1.00 0.00 C ATOM 1290 C GLY A 82 10.911 5.569 -6.992 1.00 0.00 C ATOM 1291 O GLY A 82 11.550 6.519 -6.530 1.00 0.00 O ATOM 0 H GLY A 82 9.348 2.995 -6.501 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.702 4.322 -5.264 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.083 3.929 -6.268 1.00 0.00 H new ATOM 1295 N HIS A 83 10.131 5.706 -8.068 1.00 0.00 N ATOM 1296 CA HIS A 83 9.802 7.009 -8.651 1.00 0.00 C ATOM 1297 C HIS A 83 8.627 7.636 -7.880 1.00 0.00 C ATOM 1298 O HIS A 83 8.150 7.083 -6.884 1.00 0.00 O ATOM 1299 CB HIS A 83 9.495 6.859 -10.154 1.00 0.00 C ATOM 1300 CG HIS A 83 10.630 6.262 -10.951 1.00 0.00 C ATOM 1301 ND1 HIS A 83 10.676 4.988 -11.462 1.00 0.00 N ATOM 1302 CD2 HIS A 83 11.802 6.877 -11.304 1.00 0.00 C ATOM 1303 CE1 HIS A 83 11.843 4.830 -12.105 1.00 0.00 C ATOM 1304 NE2 HIS A 83 12.572 5.962 -12.039 1.00 0.00 N ATOM 0 H HIS A 83 9.710 4.917 -8.559 1.00 0.00 H new ATOM 0 HA HIS A 83 10.657 7.680 -8.563 1.00 0.00 H new ATOM 0 HB2 HIS A 83 8.611 6.233 -10.274 1.00 0.00 H new ATOM 0 HB3 HIS A 83 9.251 7.839 -10.565 1.00 0.00 H new ATOM 0 HD1 HIS A 83 9.946 4.281 -11.369 1.00 0.00 H new ATOM 0 HD2 HIS A 83 12.085 7.890 -11.059 1.00 0.00 H new ATOM 0 HE1 HIS A 83 12.154 3.924 -12.605 1.00 0.00 H new ATOM 1312 N HIS A 84 8.141 8.794 -8.349 1.00 0.00 N ATOM 1313 CA HIS A 84 7.022 9.527 -7.749 1.00 0.00 C ATOM 1314 C HIS A 84 5.948 9.906 -8.782 1.00 0.00 C ATOM 1315 O HIS A 84 4.978 10.586 -8.435 1.00 0.00 O ATOM 1316 CB HIS A 84 7.567 10.765 -7.016 1.00 0.00 C ATOM 1317 CG HIS A 84 8.225 11.779 -7.925 1.00 0.00 C ATOM 1318 ND1 HIS A 84 9.569 11.865 -8.223 1.00 0.00 N ATOM 1319 CD2 HIS A 84 7.597 12.787 -8.610 1.00 0.00 C ATOM 1320 CE1 HIS A 84 9.743 12.896 -9.066 1.00 0.00 C ATOM 1321 NE2 HIS A 84 8.566 13.493 -9.336 1.00 0.00 N ATOM 0 H HIS A 84 8.525 9.255 -9.174 1.00 0.00 H new ATOM 0 HA HIS A 84 6.525 8.873 -7.032 1.00 0.00 H new ATOM 0 HB2 HIS A 84 6.748 11.248 -6.482 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.289 10.442 -6.266 1.00 0.00 H new ATOM 0 HD2 HIS A 84 6.538 13.000 -8.593 1.00 0.00 H new ATOM 0 HE1 HIS A 84 10.695 13.204 -9.472 1.00 0.00 H new ATOM 0 HE2 HIS A 84 8.411 14.296 -9.945 1.00 0.00 H new ATOM 1329 N ARG A 85 6.106 9.497 -10.046 1.00 0.00 N ATOM 1330 CA ARG A 85 5.241 9.871 -11.164 1.00 0.00 C ATOM 1331 C ARG A 85 5.207 8.739 -12.190 1.00 0.00 C ATOM 1332 O ARG A 85 5.982 7.786 -12.083 1.00 0.00 O ATOM 1333 CB ARG A 85 5.741 11.186 -11.799 1.00 0.00 C ATOM 1334 CG ARG A 85 7.232 11.161 -12.198 1.00 0.00 C ATOM 1335 CD ARG A 85 7.561 12.231 -13.244 1.00 0.00 C ATOM 1336 NE ARG A 85 6.993 11.855 -14.548 1.00 0.00 N ATOM 1337 CZ ARG A 85 6.814 12.633 -15.617 1.00 0.00 C ATOM 1338 NH1 ARG A 85 7.209 13.904 -15.617 1.00 0.00 N ATOM 1339 NH2 ARG A 85 6.229 12.102 -16.684 1.00 0.00 N ATOM 0 H ARG A 85 6.866 8.876 -10.325 1.00 0.00 H new ATOM 0 HA ARG A 85 4.226 10.035 -10.802 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.142 11.401 -12.684 1.00 0.00 H new ATOM 0 HB3 ARG A 85 5.577 12.003 -11.096 1.00 0.00 H new ATOM 0 HG2 ARG A 85 7.848 11.318 -11.312 1.00 0.00 H new ATOM 0 HG3 ARG A 85 7.486 10.177 -12.593 1.00 0.00 H new ATOM 0 HD2 ARG A 85 7.161 13.194 -12.928 1.00 0.00 H new ATOM 0 HD3 ARG A 85 8.641 12.347 -13.329 1.00 0.00 H new ATOM 0 HE ARG A 85 6.701 10.883 -14.647 1.00 0.00 H new ATOM 0 HH11 ARG A 85 7.657 14.299 -14.790 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.064 14.483 -16.444 1.00 0.00 H new ATOM 0 HH21 ARG A 85 5.931 11.126 -16.670 1.00 0.00 H new ATOM 0 HH22 ARG A 85 6.077 12.670 -17.518 1.00 0.00 H new ATOM 1353 N PHE A 86 4.318 8.841 -13.177 1.00 0.00 N ATOM 1354 CA PHE A 86 4.294 7.936 -14.319 1.00 0.00 C ATOM 1355 C PHE A 86 5.477 8.233 -15.247 1.00 0.00 C ATOM 1356 O PHE A 86 5.924 9.381 -15.344 1.00 0.00 O ATOM 1357 CB PHE A 86 2.963 8.088 -15.071 1.00 0.00 C ATOM 1358 CG PHE A 86 2.700 9.474 -15.639 1.00 0.00 C ATOM 1359 CD1 PHE A 86 3.239 9.851 -16.887 1.00 0.00 C ATOM 1360 CD2 PHE A 86 1.912 10.391 -14.917 1.00 0.00 C ATOM 1361 CE1 PHE A 86 3.004 11.137 -17.402 1.00 0.00 C ATOM 1362 CE2 PHE A 86 1.695 11.685 -15.426 1.00 0.00 C ATOM 1363 CZ PHE A 86 2.238 12.058 -16.666 1.00 0.00 C ATOM 0 H PHE A 86 3.592 9.557 -13.205 1.00 0.00 H new ATOM 0 HA PHE A 86 4.382 6.908 -13.969 1.00 0.00 H new ATOM 0 HB2 PHE A 86 2.940 7.367 -15.888 1.00 0.00 H new ATOM 0 HB3 PHE A 86 2.149 7.829 -14.394 1.00 0.00 H new ATOM 0 HD1 PHE A 86 3.835 9.148 -17.449 1.00 0.00 H new ATOM 0 HD2 PHE A 86 1.474 10.101 -13.973 1.00 0.00 H new ATOM 0 HE1 PHE A 86 3.411 11.418 -18.362 1.00 0.00 H new ATOM 0 HE2 PHE A 86 1.108 12.394 -14.861 1.00 0.00 H new ATOM 0 HZ PHE A 86 2.067 13.051 -17.054 1.00 0.00 H new ATOM 1373 N SER A 87 5.923 7.221 -15.991 1.00 0.00 N ATOM 1374 CA SER A 87 7.059 7.299 -16.906 1.00 0.00 C ATOM 1375 C SER A 87 6.743 6.508 -18.181 1.00 0.00 C ATOM 1376 O SER A 87 5.876 5.627 -18.181 1.00 0.00 O ATOM 1377 CB SER A 87 8.323 6.744 -16.220 1.00 0.00 C ATOM 1378 OG SER A 87 8.354 7.002 -14.824 1.00 0.00 O ATOM 0 H SER A 87 5.490 6.298 -15.972 1.00 0.00 H new ATOM 0 HA SER A 87 7.242 8.339 -17.175 1.00 0.00 H new ATOM 0 HB2 SER A 87 8.378 5.668 -16.387 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.205 7.184 -16.685 1.00 0.00 H new ATOM 0 HG SER A 87 7.701 6.429 -14.371 1.00 0.00 H new ATOM 1384 N ILE A 88 7.440 6.794 -19.278 1.00 0.00 N ATOM 1385 CA ILE A 88 7.170 6.194 -20.579 1.00 0.00 C ATOM 1386 C ILE A 88 8.542 5.807 -21.136 1.00 0.00 C ATOM 1387 O ILE A 88 9.374 6.676 -21.403 1.00 0.00 O ATOM 1388 CB ILE A 88 6.348 7.171 -21.467 1.00 0.00 C ATOM 1389 CG1 ILE A 88 5.059 7.630 -20.737 1.00 0.00 C ATOM 1390 CG2 ILE A 88 5.992 6.483 -22.792 1.00 0.00 C ATOM 1391 CD1 ILE A 88 4.035 8.429 -21.553 1.00 0.00 C ATOM 0 H ILE A 88 8.216 7.456 -19.287 1.00 0.00 H new ATOM 0 HA ILE A 88 6.544 5.303 -20.531 1.00 0.00 H new ATOM 0 HB ILE A 88 6.953 8.055 -21.669 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.560 6.744 -20.344 1.00 0.00 H new ATOM 0 HG13 ILE A 88 5.354 8.236 -19.880 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.416 7.168 -23.414 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.907 6.202 -23.313 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.400 5.590 -22.591 1.00 0.00 H new ATOM 0 HD11 ILE A 88 3.185 8.684 -20.920 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.499 9.343 -21.924 1.00 0.00 H new ATOM 0 HD13 ILE A 88 3.692 7.828 -22.395 1.00 0.00 H new ATOM 1403 N VAL A 89 8.807 4.500 -21.221 1.00 0.00 N ATOM 1404 CA VAL A 89 10.127 3.961 -21.550 1.00 0.00 C ATOM 1405 C VAL A 89 10.459 4.311 -23.008 1.00 0.00 C ATOM 1406 O VAL A 89 9.586 4.229 -23.876 1.00 0.00 O ATOM 1407 CB VAL A 89 10.139 2.434 -21.286 1.00 0.00 C ATOM 1408 CG1 VAL A 89 11.502 1.794 -21.593 1.00 0.00 C ATOM 1409 CG2 VAL A 89 9.791 2.116 -19.821 1.00 0.00 C ATOM 0 H VAL A 89 8.102 3.780 -21.061 1.00 0.00 H new ATOM 0 HA VAL A 89 10.898 4.404 -20.920 1.00 0.00 H new ATOM 0 HB VAL A 89 9.387 2.017 -21.956 1.00 0.00 H new ATOM 0 HG11 VAL A 89 11.455 0.724 -21.391 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.751 1.955 -22.642 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.267 2.249 -20.964 1.00 0.00 H new ATOM 0 HG21 VAL A 89 9.808 1.037 -19.669 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.522 2.587 -19.163 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.797 2.499 -19.592 1.00 0.00 H new