USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 975 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 23 MET CE :methyl -177:sc= -0.131 (180deg=-0.163) USER MOD Set 1.2: A 103 THR OG1 : rot -170:sc= 0 USER MOD Set 2.1: A 87 ASN : amide:sc= -1.88! C(o=-1.9!,f=-4.7!) USER MOD Set 2.2: A 89 THR OG1 : rot 180:sc=0.000212 USER MOD Set 3.1: A 35 GLN : amide:sc= -0.485! C(o=0.25!,f=-7.7!) USER MOD Set 3.2: A 41 SER OG : rot 110:sc= 0.733 USER MOD Set 4.1: A 14 TYR OH : rot -148:sc= 0.8 USER MOD Set 4.2: A 62 HIS : no HD1:sc= -1.78 K(o=-0.98,f=-9.6!) USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.102 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.721 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 48:sc= 0.676 USER MOD Single : A 7 THR OG1 : rot -90:sc= 0.826 USER MOD Single : A 8 HIS : no HE2:sc= -0.0802 K(o=-0.08,f=-1.2) USER MOD Single : A 13 SER OG : rot 62:sc= 0.613 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -20:sc= 0.203 USER MOD Single : A 46 CYS SG : rot -33:sc= -2.7! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 158:sc= -0.173 (180deg=-0.89) USER MOD Single : A 50 HIS :FLIP no HD1:sc= 0.0916 F(o=-0.99,f=0.092) USER MOD Single : A 54 ASN : amide:sc= 0.0431 K(o=0.043,f=-3.9!) USER MOD Single : A 57 SER OG : rot 150:sc= -1.1 USER MOD Single : A 66 GLN : amide:sc= -2.99 K(o=-3,f=-6.9!) USER MOD Single : A 67 LYS NZ :NH3+ 161:sc= -0.056 (180deg=-0.441) USER MOD Single : A 69 LYS NZ :NH3+ -170:sc=-0.00473 (180deg=-0.139) USER MOD Single : A 75 CYS SG : rot -140:sc= 0.788 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -173:sc= -0.0514 (180deg=-0.106) USER MOD Single : A 83 TYR OH : rot -106:sc= 0.0647 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -134:sc= 1.31 (180deg=0.0109!) USER MOD Single : A 91 HIS : no HE2:sc= -3.88! C(o=-3.9!,f=-7.4!) USER MOD Single : A 92 HIS : no HD1:sc= -0.889 X(o=-0.89,f=-0.63) USER MOD Single : A 94 LYS NZ :NH3+ -145:sc= -2.82! (180deg=-5.34!) USER MOD Single : A 97 ASN : amide:sc= -0.114 K(o=-0.11,f=-4.7!) USER MOD Single : A 99 LYS NZ :NH3+ 178:sc= 1.39 (180deg=1.32) USER MOD Single : A 105 GLN :FLIP amide:sc= -0.209 F(o=-1.3,f=-0.21) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.035) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.933 16.786 -15.549 1.00 0.00 N ATOM 2 CA GLY A 1 3.819 15.644 -15.887 1.00 0.00 C ATOM 3 C GLY A 1 5.088 16.096 -16.582 1.00 0.00 C ATOM 4 O GLY A 1 5.292 17.296 -16.774 1.00 0.00 O ATOM 0 H1 GLY A 1 2.732 16.779 -14.529 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.404 17.678 -15.803 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.042 16.702 -16.078 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.077 15.104 -14.976 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.282 14.947 -16.530 1.00 0.00 H new ATOM 10 N SER A 2 5.935 15.128 -16.957 1.00 0.00 N ATOM 11 CA SER A 2 7.220 15.403 -17.612 1.00 0.00 C ATOM 12 C SER A 2 8.181 16.129 -16.661 1.00 0.00 C ATOM 13 O SER A 2 7.745 16.789 -15.713 1.00 0.00 O ATOM 14 CB SER A 2 7.011 16.224 -18.894 1.00 0.00 C ATOM 15 OG SER A 2 6.084 15.591 -19.762 1.00 0.00 O ATOM 0 H SER A 2 5.749 14.135 -16.815 1.00 0.00 H new ATOM 0 HA SER A 2 7.669 14.447 -17.882 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.651 17.220 -18.637 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.964 16.352 -19.407 1.00 0.00 H new ATOM 0 HG SER A 2 5.968 16.135 -20.569 1.00 0.00 H new ATOM 21 N MET A 3 9.488 15.988 -16.916 1.00 0.00 N ATOM 22 CA MET A 3 10.545 16.616 -16.107 1.00 0.00 C ATOM 23 C MET A 3 10.695 15.918 -14.753 1.00 0.00 C ATOM 24 O MET A 3 11.803 15.542 -14.356 1.00 0.00 O ATOM 25 CB MET A 3 10.302 18.126 -15.908 1.00 0.00 C ATOM 26 CG MET A 3 10.411 18.953 -17.188 1.00 0.00 C ATOM 27 SD MET A 3 9.139 18.540 -18.403 1.00 0.00 S ATOM 28 CE MET A 3 9.570 19.640 -19.750 1.00 0.00 C ATOM 0 H MET A 3 9.846 15.432 -17.693 1.00 0.00 H new ATOM 0 HA MET A 3 11.476 16.501 -16.662 1.00 0.00 H new ATOM 0 HB2 MET A 3 9.310 18.269 -15.480 1.00 0.00 H new ATOM 0 HB3 MET A 3 11.021 18.505 -15.182 1.00 0.00 H new ATOM 0 HG2 MET A 3 10.337 20.011 -16.938 1.00 0.00 H new ATOM 0 HG3 MET A 3 11.394 18.798 -17.632 1.00 0.00 H new ATOM 0 HE1 MET A 3 8.871 19.498 -20.574 1.00 0.00 H new ATOM 0 HE2 MET A 3 9.521 20.673 -19.406 1.00 0.00 H new ATOM 0 HE3 MET A 3 10.582 19.419 -20.091 1.00 0.00 H new ATOM 38 N THR A 4 9.591 15.766 -14.033 1.00 0.00 N ATOM 39 CA THR A 4 9.582 15.045 -12.769 1.00 0.00 C ATOM 40 C THR A 4 8.620 13.861 -12.841 1.00 0.00 C ATOM 41 O THR A 4 7.427 14.006 -12.562 1.00 0.00 O ATOM 42 CB THR A 4 9.183 15.975 -11.592 1.00 0.00 C ATOM 43 OG1 THR A 4 7.907 16.585 -11.848 1.00 0.00 O ATOM 44 CG2 THR A 4 10.229 17.064 -11.369 1.00 0.00 C ATOM 0 H THR A 4 8.682 16.137 -14.308 1.00 0.00 H new ATOM 0 HA THR A 4 10.593 14.679 -12.588 1.00 0.00 H new ATOM 0 HB THR A 4 9.121 15.362 -10.693 1.00 0.00 H new ATOM 0 HG1 THR A 4 7.271 15.901 -12.143 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.921 17.699 -10.538 1.00 0.00 H new ATOM 0 HG22 THR A 4 11.190 16.604 -11.138 1.00 0.00 H new ATOM 0 HG23 THR A 4 10.324 17.668 -12.272 1.00 0.00 H new ATOM 52 N GLU A 5 9.129 12.707 -13.272 1.00 0.00 N ATOM 53 CA GLU A 5 8.337 11.479 -13.286 1.00 0.00 C ATOM 54 C GLU A 5 8.047 11.059 -11.849 1.00 0.00 C ATOM 55 O GLU A 5 6.892 10.915 -11.444 1.00 0.00 O ATOM 56 CB GLU A 5 9.072 10.353 -14.035 1.00 0.00 C ATOM 57 CG GLU A 5 9.286 10.612 -15.528 1.00 0.00 C ATOM 58 CD GLU A 5 10.193 11.801 -15.810 1.00 0.00 C ATOM 59 OE1 GLU A 5 11.266 11.899 -15.172 1.00 0.00 O ATOM 60 OE2 GLU A 5 9.854 12.627 -16.685 1.00 0.00 O ATOM 0 H GLU A 5 10.083 12.598 -13.615 1.00 0.00 H new ATOM 0 HA GLU A 5 7.401 11.667 -13.811 1.00 0.00 H new ATOM 0 HB2 GLU A 5 10.043 10.196 -13.565 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.507 9.428 -13.918 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.714 9.721 -15.986 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.319 10.781 -16.002 1.00 0.00 H new ATOM 67 N GLU A 6 9.117 10.874 -11.079 1.00 0.00 N ATOM 68 CA GLU A 6 9.009 10.648 -9.642 1.00 0.00 C ATOM 69 C GLU A 6 9.062 11.987 -8.910 1.00 0.00 C ATOM 70 O GLU A 6 9.376 13.017 -9.517 1.00 0.00 O ATOM 71 CB GLU A 6 10.110 9.685 -9.144 1.00 0.00 C ATOM 72 CG GLU A 6 11.476 9.844 -9.819 1.00 0.00 C ATOM 73 CD GLU A 6 12.132 11.199 -9.585 1.00 0.00 C ATOM 74 OE1 GLU A 6 12.482 11.505 -8.427 1.00 0.00 O ATOM 75 OE2 GLU A 6 12.319 11.958 -10.563 1.00 0.00 O ATOM 0 H GLU A 6 10.074 10.877 -11.431 1.00 0.00 H new ATOM 0 HA GLU A 6 8.052 10.172 -9.428 1.00 0.00 H new ATOM 0 HB2 GLU A 6 10.235 9.827 -8.071 1.00 0.00 H new ATOM 0 HB3 GLU A 6 9.767 8.661 -9.292 1.00 0.00 H new ATOM 0 HG2 GLU A 6 12.142 9.062 -9.455 1.00 0.00 H new ATOM 0 HG3 GLU A 6 11.359 9.689 -10.892 1.00 0.00 H new ATOM 82 N THR A 7 8.753 11.984 -7.618 1.00 0.00 N ATOM 83 CA THR A 7 8.703 13.219 -6.851 1.00 0.00 C ATOM 84 C THR A 7 8.669 12.940 -5.346 1.00 0.00 C ATOM 85 O THR A 7 8.640 11.785 -4.918 1.00 0.00 O ATOM 86 CB THR A 7 7.486 14.084 -7.272 1.00 0.00 C ATOM 87 OG1 THR A 7 7.395 15.257 -6.454 1.00 0.00 O ATOM 88 CG2 THR A 7 6.185 13.292 -7.190 1.00 0.00 C ATOM 0 H THR A 7 8.535 11.143 -7.083 1.00 0.00 H new ATOM 0 HA THR A 7 9.614 13.777 -7.068 1.00 0.00 H new ATOM 0 HB THR A 7 7.639 14.383 -8.309 1.00 0.00 H new ATOM 0 HG1 THR A 7 6.842 15.066 -5.668 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.352 13.928 -7.492 1.00 0.00 H new ATOM 0 HG22 THR A 7 6.242 12.429 -7.854 1.00 0.00 H new ATOM 0 HG23 THR A 7 6.030 12.952 -6.166 1.00 0.00 H new ATOM 96 N HIS A 8 8.647 14.020 -4.565 1.00 0.00 N ATOM 97 CA HIS A 8 8.800 13.973 -3.109 1.00 0.00 C ATOM 98 C HIS A 8 8.815 15.405 -2.533 1.00 0.00 C ATOM 99 O HIS A 8 8.206 15.659 -1.491 1.00 0.00 O ATOM 100 CB HIS A 8 10.080 13.207 -2.715 1.00 0.00 C ATOM 101 CG HIS A 8 10.418 13.266 -1.253 1.00 0.00 C ATOM 102 ND1 HIS A 8 9.773 12.538 -0.275 1.00 0.00 N ATOM 103 CD2 HIS A 8 11.383 13.972 -0.611 1.00 0.00 C ATOM 104 CE1 HIS A 8 10.356 12.817 0.898 1.00 0.00 C ATOM 105 NE2 HIS A 8 11.339 13.683 0.748 1.00 0.00 N ATOM 0 H HIS A 8 8.521 14.964 -4.929 1.00 0.00 H new ATOM 0 HA HIS A 8 7.950 13.437 -2.686 1.00 0.00 H new ATOM 0 HB2 HIS A 8 9.967 12.163 -3.007 1.00 0.00 H new ATOM 0 HB3 HIS A 8 10.918 13.608 -3.285 1.00 0.00 H new ATOM 0 HD1 HIS A 8 8.990 11.900 -0.420 1.00 0.00 H new ATOM 0 HD2 HIS A 8 12.077 14.652 -1.082 1.00 0.00 H new ATOM 0 HE1 HIS A 8 10.060 12.388 1.844 1.00 0.00 H new ATOM 113 N PRO A 9 9.526 16.366 -3.187 1.00 0.00 N ATOM 114 CA PRO A 9 9.516 17.776 -2.789 1.00 0.00 C ATOM 115 C PRO A 9 8.600 18.656 -3.655 1.00 0.00 C ATOM 116 O PRO A 9 8.693 19.885 -3.609 1.00 0.00 O ATOM 117 CB PRO A 9 10.981 18.152 -3.010 1.00 0.00 C ATOM 118 CG PRO A 9 11.394 17.364 -4.219 1.00 0.00 C ATOM 119 CD PRO A 9 10.465 16.165 -4.309 1.00 0.00 C ATOM 0 HA PRO A 9 9.135 17.925 -1.779 1.00 0.00 H new ATOM 0 HB2 PRO A 9 11.095 19.223 -3.177 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.591 17.898 -2.143 1.00 0.00 H new ATOM 0 HG2 PRO A 9 11.323 17.974 -5.119 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.432 17.042 -4.133 1.00 0.00 H new ATOM 0 HD2 PRO A 9 9.944 16.133 -5.266 1.00 0.00 H new ATOM 0 HD3 PRO A 9 11.011 15.227 -4.211 1.00 0.00 H new ATOM 127 N ASP A 10 7.707 18.031 -4.421 1.00 0.00 N ATOM 128 CA ASP A 10 6.852 18.755 -5.375 1.00 0.00 C ATOM 129 C ASP A 10 5.467 18.112 -5.413 1.00 0.00 C ATOM 130 O ASP A 10 4.488 18.680 -4.923 1.00 0.00 O ATOM 131 CB ASP A 10 7.496 18.741 -6.772 1.00 0.00 C ATOM 132 CG ASP A 10 6.644 19.417 -7.837 1.00 0.00 C ATOM 133 OD1 ASP A 10 6.660 20.665 -7.922 1.00 0.00 O ATOM 134 OD2 ASP A 10 5.960 18.703 -8.605 1.00 0.00 O ATOM 0 H ASP A 10 7.553 17.023 -4.403 1.00 0.00 H new ATOM 0 HA ASP A 10 6.748 19.792 -5.055 1.00 0.00 H new ATOM 0 HB2 ASP A 10 8.465 19.238 -6.722 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.683 17.709 -7.068 1.00 0.00 H new ATOM 139 N ASP A 11 5.409 16.930 -6.022 1.00 0.00 N ATOM 140 CA ASP A 11 4.277 16.011 -5.898 1.00 0.00 C ATOM 141 C ASP A 11 3.048 16.457 -6.679 1.00 0.00 C ATOM 142 O ASP A 11 2.232 17.245 -6.197 1.00 0.00 O ATOM 143 CB ASP A 11 3.920 15.774 -4.424 1.00 0.00 C ATOM 144 CG ASP A 11 5.033 15.063 -3.680 1.00 0.00 C ATOM 145 OD1 ASP A 11 6.203 15.463 -3.843 1.00 0.00 O ATOM 146 OD2 ASP A 11 4.747 14.086 -2.962 1.00 0.00 O ATOM 0 H ASP A 11 6.155 16.578 -6.623 1.00 0.00 H new ATOM 0 HA ASP A 11 4.603 15.071 -6.343 1.00 0.00 H new ATOM 0 HB2 ASP A 11 3.714 16.730 -3.942 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.006 15.183 -4.362 1.00 0.00 H new ATOM 151 N ASP A 12 2.935 15.940 -7.896 1.00 0.00 N ATOM 152 CA ASP A 12 1.737 16.100 -8.718 1.00 0.00 C ATOM 153 C ASP A 12 1.331 14.725 -9.263 1.00 0.00 C ATOM 154 O ASP A 12 0.607 14.609 -10.252 1.00 0.00 O ATOM 155 CB ASP A 12 2.014 17.093 -9.864 1.00 0.00 C ATOM 156 CG ASP A 12 0.756 17.518 -10.615 1.00 0.00 C ATOM 157 OD1 ASP A 12 -0.054 18.282 -10.047 1.00 0.00 O ATOM 158 OD2 ASP A 12 0.581 17.115 -11.786 1.00 0.00 O ATOM 0 H ASP A 12 3.672 15.396 -8.344 1.00 0.00 H new ATOM 0 HA ASP A 12 0.919 16.503 -8.121 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.502 17.979 -9.457 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.712 16.639 -10.567 1.00 0.00 H new ATOM 163 N SER A 13 1.801 13.677 -8.577 1.00 0.00 N ATOM 164 CA SER A 13 1.588 12.292 -9.010 1.00 0.00 C ATOM 165 C SER A 13 1.019 11.430 -7.874 1.00 0.00 C ATOM 166 O SER A 13 0.371 10.406 -8.126 1.00 0.00 O ATOM 167 CB SER A 13 2.917 11.704 -9.513 1.00 0.00 C ATOM 168 OG SER A 13 2.788 10.339 -9.868 1.00 0.00 O ATOM 0 H SER A 13 2.336 13.764 -7.713 1.00 0.00 H new ATOM 0 HA SER A 13 0.858 12.291 -9.819 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.262 12.273 -10.376 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.677 11.808 -8.738 1.00 0.00 H new ATOM 0 HG SER A 13 2.146 10.251 -10.603 1.00 0.00 H new ATOM 174 N TYR A 14 1.258 11.844 -6.628 1.00 0.00 N ATOM 175 CA TYR A 14 0.807 11.084 -5.460 1.00 0.00 C ATOM 176 C TYR A 14 -0.720 11.019 -5.395 1.00 0.00 C ATOM 177 O TYR A 14 -1.410 11.996 -5.701 1.00 0.00 O ATOM 178 CB TYR A 14 1.369 11.698 -4.167 1.00 0.00 C ATOM 179 CG TYR A 14 2.831 11.369 -3.905 1.00 0.00 C ATOM 180 CD1 TYR A 14 3.810 11.610 -4.863 1.00 0.00 C ATOM 181 CD2 TYR A 14 3.231 10.825 -2.687 1.00 0.00 C ATOM 182 CE1 TYR A 14 5.137 11.317 -4.614 1.00 0.00 C ATOM 183 CE2 TYR A 14 4.555 10.530 -2.434 1.00 0.00 C ATOM 184 CZ TYR A 14 5.505 10.779 -3.402 1.00 0.00 C ATOM 185 OH TYR A 14 6.826 10.492 -3.154 1.00 0.00 O ATOM 0 H TYR A 14 1.761 12.702 -6.402 1.00 0.00 H new ATOM 0 HA TYR A 14 1.184 10.066 -5.560 1.00 0.00 H new ATOM 0 HB2 TYR A 14 1.254 12.781 -4.213 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.773 11.350 -3.324 1.00 0.00 H new ATOM 0 HD1 TYR A 14 3.529 12.033 -5.816 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.490 10.630 -1.925 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.884 11.510 -5.369 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.845 10.107 -1.484 1.00 0.00 H new ATOM 0 HH TYR A 14 6.886 9.712 -2.564 1.00 0.00 H new ATOM 195 N ILE A 15 -1.236 9.855 -5.002 1.00 0.00 N ATOM 196 CA ILE A 15 -2.677 9.636 -4.890 1.00 0.00 C ATOM 197 C ILE A 15 -3.029 9.108 -3.503 1.00 0.00 C ATOM 198 O ILE A 15 -3.710 9.776 -2.722 1.00 0.00 O ATOM 199 CB ILE A 15 -3.184 8.627 -5.957 1.00 0.00 C ATOM 200 CG1 ILE A 15 -2.791 9.092 -7.368 1.00 0.00 C ATOM 201 CG2 ILE A 15 -4.701 8.445 -5.853 1.00 0.00 C ATOM 202 CD1 ILE A 15 -3.176 8.117 -8.460 1.00 0.00 C ATOM 0 H ILE A 15 -0.671 9.043 -4.754 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.164 10.597 -5.056 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.711 7.663 -5.768 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.264 10.054 -7.569 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.714 9.253 -7.401 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.035 7.735 -6.609 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.955 8.067 -4.863 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.194 9.404 -6.013 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.867 8.513 -9.427 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -2.683 7.161 -8.285 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -4.257 7.974 -8.455 1.00 0.00 H new ATOM 214 N VAL A 16 -2.548 7.908 -3.197 1.00 0.00 N ATOM 215 CA VAL A 16 -2.837 7.263 -1.921 1.00 0.00 C ATOM 216 C VAL A 16 -1.670 7.457 -0.960 1.00 0.00 C ATOM 217 O VAL A 16 -0.612 6.853 -1.129 1.00 0.00 O ATOM 218 CB VAL A 16 -3.112 5.748 -2.104 1.00 0.00 C ATOM 219 CG1 VAL A 16 -3.454 5.085 -0.770 1.00 0.00 C ATOM 220 CG2 VAL A 16 -4.225 5.519 -3.127 1.00 0.00 C ATOM 0 H VAL A 16 -1.953 7.360 -3.819 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.733 7.727 -1.508 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.201 5.285 -2.483 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -3.642 4.023 -0.929 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.620 5.206 -0.079 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.345 5.552 -0.349 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -4.401 4.449 -3.240 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.139 6.003 -2.784 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.929 5.941 -4.087 1.00 0.00 H new ATOM 230 N ARG A 17 -1.857 8.326 0.027 1.00 0.00 N ATOM 231 CA ARG A 17 -0.830 8.603 1.029 1.00 0.00 C ATOM 232 C ARG A 17 -1.351 8.274 2.421 1.00 0.00 C ATOM 233 O ARG A 17 -1.949 9.118 3.092 1.00 0.00 O ATOM 234 CB ARG A 17 -0.384 10.068 0.945 1.00 0.00 C ATOM 235 CG ARG A 17 0.363 10.397 -0.343 1.00 0.00 C ATOM 236 CD ARG A 17 0.628 11.888 -0.482 1.00 0.00 C ATOM 237 NE ARG A 17 -0.609 12.647 -0.668 1.00 0.00 N ATOM 238 CZ ARG A 17 -0.671 13.856 -1.225 1.00 0.00 C ATOM 239 NH1 ARG A 17 0.435 14.470 -1.633 1.00 0.00 N ATOM 240 NH2 ARG A 17 -1.849 14.452 -1.361 1.00 0.00 N ATOM 0 H ARG A 17 -2.719 8.856 0.156 1.00 0.00 H new ATOM 0 HA ARG A 17 0.036 7.972 0.829 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.260 10.712 1.024 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.257 10.295 1.797 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.310 9.857 -0.361 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.218 10.051 -1.198 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.145 12.249 0.407 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.291 12.061 -1.329 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.481 12.223 -0.351 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.341 14.016 -1.521 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.377 15.395 -2.058 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.697 13.985 -1.040 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -1.906 15.377 -1.786 1.00 0.00 H new ATOM 254 N VAL A 18 -1.135 7.032 2.837 1.00 0.00 N ATOM 255 CA VAL A 18 -1.638 6.544 4.115 1.00 0.00 C ATOM 256 C VAL A 18 -0.501 6.372 5.117 1.00 0.00 C ATOM 257 O VAL A 18 0.564 5.858 4.779 1.00 0.00 O ATOM 258 CB VAL A 18 -2.373 5.187 3.944 1.00 0.00 C ATOM 259 CG1 VAL A 18 -2.851 4.646 5.292 1.00 0.00 C ATOM 260 CG2 VAL A 18 -3.543 5.328 2.968 1.00 0.00 C ATOM 0 H VAL A 18 -0.610 6.339 2.303 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.341 7.287 4.491 1.00 0.00 H new ATOM 0 HB VAL A 18 -1.665 4.469 3.529 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.362 3.695 5.142 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.994 4.498 5.949 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -3.538 5.359 5.747 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.046 4.367 2.861 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.248 6.066 3.350 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.169 5.652 1.997 1.00 0.00 H new ATOM 270 N LYS A 19 -0.732 6.818 6.345 1.00 0.00 N ATOM 271 CA LYS A 19 0.214 6.609 7.431 1.00 0.00 C ATOM 272 C LYS A 19 -0.041 5.241 8.062 1.00 0.00 C ATOM 273 O LYS A 19 -1.038 5.048 8.763 1.00 0.00 O ATOM 274 CB LYS A 19 0.077 7.722 8.482 1.00 0.00 C ATOM 275 CG LYS A 19 1.035 7.585 9.664 1.00 0.00 C ATOM 276 CD LYS A 19 0.792 8.670 10.713 1.00 0.00 C ATOM 277 CE LYS A 19 1.699 8.500 11.926 1.00 0.00 C ATOM 278 NZ LYS A 19 1.410 9.503 12.987 1.00 0.00 N ATOM 0 H LYS A 19 -1.572 7.330 6.614 1.00 0.00 H new ATOM 0 HA LYS A 19 1.230 6.640 7.038 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.247 8.685 8.000 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.947 7.729 8.857 1.00 0.00 H new ATOM 0 HG2 LYS A 19 0.913 6.603 10.120 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.064 7.645 9.308 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.961 9.650 10.267 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.250 8.640 11.032 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.575 7.497 12.333 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.740 8.591 11.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.050 9.350 13.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.553 10.461 12.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.425 9.400 13.303 1.00 0.00 H new ATOM 292 N ALA A 20 0.845 4.293 7.785 1.00 0.00 N ATOM 293 CA ALA A 20 0.705 2.924 8.280 1.00 0.00 C ATOM 294 C ALA A 20 2.075 2.338 8.594 1.00 0.00 C ATOM 295 O ALA A 20 3.081 3.053 8.561 1.00 0.00 O ATOM 296 CB ALA A 20 -0.035 2.068 7.255 1.00 0.00 C ATOM 0 H ALA A 20 1.677 4.447 7.215 1.00 0.00 H new ATOM 0 HA ALA A 20 0.120 2.935 9.200 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.134 1.051 7.634 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.026 2.487 7.078 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.525 2.054 6.320 1.00 0.00 H new ATOM 302 N VAL A 21 2.117 1.044 8.901 1.00 0.00 N ATOM 303 CA VAL A 21 3.368 0.375 9.237 1.00 0.00 C ATOM 304 C VAL A 21 3.879 -0.429 8.047 1.00 0.00 C ATOM 305 O VAL A 21 3.186 -1.314 7.544 1.00 0.00 O ATOM 306 CB VAL A 21 3.207 -0.584 10.440 1.00 0.00 C ATOM 307 CG1 VAL A 21 4.569 -1.130 10.874 1.00 0.00 C ATOM 308 CG2 VAL A 21 2.488 0.104 11.599 1.00 0.00 C ATOM 0 H VAL A 21 1.297 0.438 8.924 1.00 0.00 H new ATOM 0 HA VAL A 21 4.080 1.157 9.502 1.00 0.00 H new ATOM 0 HB VAL A 21 2.589 -1.426 10.128 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.438 -1.803 11.721 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.024 -1.674 10.046 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.217 -0.303 11.164 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.389 -0.593 12.431 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.063 0.972 11.920 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.498 0.425 11.274 1.00 0.00 H new ATOM 318 N VAL A 22 5.087 -0.118 7.594 1.00 0.00 N ATOM 319 CA VAL A 22 5.711 -0.874 6.516 1.00 0.00 C ATOM 320 C VAL A 22 6.678 -1.915 7.083 1.00 0.00 C ATOM 321 O VAL A 22 7.814 -1.595 7.454 1.00 0.00 O ATOM 322 CB VAL A 22 6.463 0.049 5.521 1.00 0.00 C ATOM 323 CG1 VAL A 22 7.082 -0.767 4.385 1.00 0.00 C ATOM 324 CG2 VAL A 22 5.528 1.124 4.967 1.00 0.00 C ATOM 0 H VAL A 22 5.653 0.650 7.955 1.00 0.00 H new ATOM 0 HA VAL A 22 4.912 -1.377 5.971 1.00 0.00 H new ATOM 0 HB VAL A 22 7.269 0.545 6.062 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.604 -0.099 3.700 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.788 -1.488 4.798 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.296 -1.297 3.847 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.076 1.760 4.272 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.696 0.650 4.446 1.00 0.00 H new ATOM 0 HG23 VAL A 22 5.144 1.730 5.787 1.00 0.00 H new ATOM 334 N MET A 23 6.201 -3.151 7.183 1.00 0.00 N ATOM 335 CA MET A 23 7.037 -4.277 7.584 1.00 0.00 C ATOM 336 C MET A 23 7.943 -4.647 6.418 1.00 0.00 C ATOM 337 O MET A 23 7.483 -5.206 5.427 1.00 0.00 O ATOM 338 CB MET A 23 6.175 -5.483 7.983 1.00 0.00 C ATOM 339 CG MET A 23 5.324 -5.259 9.226 1.00 0.00 C ATOM 340 SD MET A 23 6.314 -5.010 10.713 1.00 0.00 S ATOM 341 CE MET A 23 5.027 -4.890 11.956 1.00 0.00 C ATOM 0 H MET A 23 5.231 -3.400 6.990 1.00 0.00 H new ATOM 0 HA MET A 23 7.635 -3.992 8.450 1.00 0.00 H new ATOM 0 HB2 MET A 23 5.521 -5.739 7.150 1.00 0.00 H new ATOM 0 HB3 MET A 23 6.826 -6.341 8.152 1.00 0.00 H new ATOM 0 HG2 MET A 23 4.684 -4.390 9.071 1.00 0.00 H new ATOM 0 HG3 MET A 23 4.668 -6.117 9.371 1.00 0.00 H new ATOM 0 HE1 MET A 23 5.477 -4.681 12.927 1.00 0.00 H new ATOM 0 HE2 MET A 23 4.341 -4.085 11.693 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.479 -5.831 12.005 1.00 0.00 H new ATOM 351 N THR A 24 9.220 -4.316 6.525 1.00 0.00 N ATOM 352 CA THR A 24 10.140 -4.491 5.410 1.00 0.00 C ATOM 353 C THR A 24 10.545 -5.954 5.240 1.00 0.00 C ATOM 354 O THR A 24 10.503 -6.480 4.130 1.00 0.00 O ATOM 355 CB THR A 24 11.394 -3.593 5.561 1.00 0.00 C ATOM 356 OG1 THR A 24 12.277 -3.761 4.439 1.00 0.00 O ATOM 357 CG2 THR A 24 12.138 -3.879 6.850 1.00 0.00 C ATOM 0 H THR A 24 9.643 -3.926 7.368 1.00 0.00 H new ATOM 0 HA THR A 24 9.610 -4.182 4.509 1.00 0.00 H new ATOM 0 HB THR A 24 11.048 -2.560 5.593 1.00 0.00 H new ATOM 0 HG1 THR A 24 13.062 -3.185 4.551 1.00 0.00 H new ATOM 0 HG21 THR A 24 13.010 -3.229 6.918 1.00 0.00 H new ATOM 0 HG22 THR A 24 11.480 -3.693 7.699 1.00 0.00 H new ATOM 0 HG23 THR A 24 12.460 -4.920 6.861 1.00 0.00 H new ATOM 365 N ARG A 25 10.899 -6.605 6.349 1.00 0.00 N ATOM 366 CA ARG A 25 11.473 -7.956 6.330 1.00 0.00 C ATOM 367 C ARG A 25 12.751 -7.982 5.482 1.00 0.00 C ATOM 368 O ARG A 25 12.805 -7.419 4.389 1.00 0.00 O ATOM 369 CB ARG A 25 10.476 -9.008 5.799 1.00 0.00 C ATOM 370 CG ARG A 25 10.831 -10.434 6.215 1.00 0.00 C ATOM 371 CD ARG A 25 9.837 -11.454 5.677 1.00 0.00 C ATOM 372 NE ARG A 25 10.005 -12.771 6.304 1.00 0.00 N ATOM 373 CZ ARG A 25 10.040 -13.924 5.631 1.00 0.00 C ATOM 374 NH1 ARG A 25 10.003 -13.924 4.306 1.00 0.00 N ATOM 375 NH2 ARG A 25 10.143 -15.070 6.285 1.00 0.00 N ATOM 0 H ARG A 25 10.797 -6.214 7.285 1.00 0.00 H new ATOM 0 HA ARG A 25 11.711 -8.215 7.362 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.477 -8.768 6.162 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.442 -8.951 4.711 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.830 -10.678 5.854 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.861 -10.497 7.303 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.822 -11.097 5.850 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.962 -11.548 4.598 1.00 0.00 H new ATOM 0 HE ARG A 25 10.101 -12.808 7.319 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.948 -13.042 3.797 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.030 -14.806 3.795 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.196 -15.073 7.304 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.170 -15.950 5.770 1.00 0.00 H new ATOM 389 N ASP A 26 13.793 -8.625 5.984 1.00 0.00 N ATOM 390 CA ASP A 26 15.032 -8.748 5.226 1.00 0.00 C ATOM 391 C ASP A 26 14.876 -9.894 4.227 1.00 0.00 C ATOM 392 O ASP A 26 15.530 -10.933 4.332 1.00 0.00 O ATOM 393 CB ASP A 26 16.222 -8.971 6.173 1.00 0.00 C ATOM 394 CG ASP A 26 17.561 -8.699 5.505 1.00 0.00 C ATOM 395 OD1 ASP A 26 18.095 -9.596 4.822 1.00 0.00 O ATOM 396 OD2 ASP A 26 18.091 -7.575 5.662 1.00 0.00 O ATOM 0 H ASP A 26 13.809 -9.066 6.903 1.00 0.00 H new ATOM 0 HA ASP A 26 15.234 -7.828 4.678 1.00 0.00 H new ATOM 0 HB2 ASP A 26 16.116 -8.323 7.043 1.00 0.00 H new ATOM 0 HB3 ASP A 26 16.204 -9.998 6.537 1.00 0.00 H new ATOM 401 N ASP A 27 13.949 -9.687 3.284 1.00 0.00 N ATOM 402 CA ASP A 27 13.519 -10.708 2.322 1.00 0.00 C ATOM 403 C ASP A 27 12.957 -11.933 3.041 1.00 0.00 C ATOM 404 O ASP A 27 11.739 -12.143 3.074 1.00 0.00 O ATOM 405 CB ASP A 27 14.653 -11.121 1.374 1.00 0.00 C ATOM 406 CG ASP A 27 14.189 -12.150 0.354 1.00 0.00 C ATOM 407 OD1 ASP A 27 13.472 -11.768 -0.596 1.00 0.00 O ATOM 408 OD2 ASP A 27 14.518 -13.345 0.504 1.00 0.00 O ATOM 0 H ASP A 27 13.470 -8.794 3.166 1.00 0.00 H new ATOM 0 HA ASP A 27 12.729 -10.262 1.717 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.032 -10.240 0.855 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.480 -11.531 1.953 1.00 0.00 H new ATOM 413 N SER A 28 13.844 -12.733 3.620 1.00 0.00 N ATOM 414 CA SER A 28 13.453 -13.904 4.390 1.00 0.00 C ATOM 415 C SER A 28 14.000 -13.783 5.812 1.00 0.00 C ATOM 416 O SER A 28 15.177 -14.043 6.063 1.00 0.00 O ATOM 417 CB SER A 28 13.964 -15.187 3.717 1.00 0.00 C ATOM 418 OG SER A 28 13.484 -16.348 4.381 1.00 0.00 O ATOM 0 H SER A 28 14.852 -12.588 3.568 1.00 0.00 H new ATOM 0 HA SER A 28 12.365 -13.959 4.432 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.646 -15.204 2.675 1.00 0.00 H new ATOM 0 HB3 SER A 28 15.054 -15.190 3.717 1.00 0.00 H new ATOM 0 HG SER A 28 13.825 -17.148 3.929 1.00 0.00 H new ATOM 424 N SER A 29 13.146 -13.354 6.732 1.00 0.00 N ATOM 425 CA SER A 29 13.522 -13.185 8.131 1.00 0.00 C ATOM 426 C SER A 29 12.556 -13.959 9.020 1.00 0.00 C ATOM 427 O SER A 29 11.444 -14.284 8.591 1.00 0.00 O ATOM 428 CB SER A 29 13.498 -11.697 8.501 1.00 0.00 C ATOM 429 OG SER A 29 14.202 -10.920 7.545 1.00 0.00 O ATOM 0 H SER A 29 12.175 -13.114 6.531 1.00 0.00 H new ATOM 0 HA SER A 29 14.531 -13.570 8.281 1.00 0.00 H new ATOM 0 HB2 SER A 29 12.466 -11.352 8.565 1.00 0.00 H new ATOM 0 HB3 SER A 29 13.943 -11.557 9.486 1.00 0.00 H new ATOM 0 HG SER A 29 14.813 -11.497 7.041 1.00 0.00 H new ATOM 435 N GLY A 30 12.979 -14.255 10.248 1.00 0.00 N ATOM 436 CA GLY A 30 12.111 -14.925 11.201 1.00 0.00 C ATOM 437 C GLY A 30 10.980 -14.020 11.659 1.00 0.00 C ATOM 438 O GLY A 30 11.014 -13.476 12.766 1.00 0.00 O ATOM 0 H GLY A 30 13.912 -14.041 10.600 1.00 0.00 H new ATOM 0 HA2 GLY A 30 11.696 -15.825 10.746 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.695 -15.244 12.064 1.00 0.00 H new ATOM 442 N GLY A 31 9.984 -13.857 10.797 1.00 0.00 N ATOM 443 CA GLY A 31 8.892 -12.938 11.059 1.00 0.00 C ATOM 444 C GLY A 31 8.998 -11.696 10.193 1.00 0.00 C ATOM 445 O GLY A 31 9.665 -11.715 9.151 1.00 0.00 O ATOM 0 H GLY A 31 9.913 -14.353 9.908 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.941 -13.436 10.870 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.898 -12.652 12.111 1.00 0.00 H new ATOM 449 N TRP A 32 8.351 -10.618 10.622 1.00 0.00 N ATOM 450 CA TRP A 32 8.361 -9.358 9.882 1.00 0.00 C ATOM 451 C TRP A 32 8.785 -8.212 10.790 1.00 0.00 C ATOM 452 O TRP A 32 8.215 -8.019 11.868 1.00 0.00 O ATOM 453 CB TRP A 32 6.978 -9.082 9.267 1.00 0.00 C ATOM 454 CG TRP A 32 6.696 -9.933 8.064 1.00 0.00 C ATOM 455 CD1 TRP A 32 6.316 -11.243 8.046 1.00 0.00 C ATOM 456 CD2 TRP A 32 6.790 -9.523 6.700 1.00 0.00 C ATOM 457 NE1 TRP A 32 6.177 -11.673 6.749 1.00 0.00 N ATOM 458 CE2 TRP A 32 6.460 -10.633 5.906 1.00 0.00 C ATOM 459 CE3 TRP A 32 7.123 -8.322 6.074 1.00 0.00 C ATOM 460 CZ2 TRP A 32 6.458 -10.576 4.518 1.00 0.00 C ATOM 461 CZ3 TRP A 32 7.118 -8.269 4.696 1.00 0.00 C ATOM 462 CH2 TRP A 32 6.786 -9.389 3.931 1.00 0.00 C ATOM 0 H TRP A 32 7.808 -10.591 11.485 1.00 0.00 H new ATOM 0 HA TRP A 32 9.085 -9.439 9.071 1.00 0.00 H new ATOM 0 HB2 TRP A 32 6.209 -9.258 10.019 1.00 0.00 H new ATOM 0 HB3 TRP A 32 6.914 -8.031 8.986 1.00 0.00 H new ATOM 0 HD1 TRP A 32 6.149 -11.852 8.922 1.00 0.00 H new ATOM 0 HE1 TRP A 32 5.907 -12.614 6.461 1.00 0.00 H new ATOM 0 HE3 TRP A 32 7.380 -7.450 6.657 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 6.205 -11.442 3.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 7.375 -7.345 4.200 1.00 0.00 H new ATOM 0 HH2 TRP A 32 6.789 -9.314 2.854 1.00 0.00 H new ATOM 473 N PHE A 33 9.804 -7.464 10.364 1.00 0.00 N ATOM 474 CA PHE A 33 10.304 -6.340 11.146 1.00 0.00 C ATOM 475 C PHE A 33 10.053 -5.028 10.402 1.00 0.00 C ATOM 476 O PHE A 33 10.216 -4.962 9.177 1.00 0.00 O ATOM 477 CB PHE A 33 11.805 -6.510 11.470 1.00 0.00 C ATOM 478 CG PHE A 33 12.772 -6.056 10.390 1.00 0.00 C ATOM 479 CD1 PHE A 33 12.956 -6.791 9.225 1.00 0.00 C ATOM 480 CD2 PHE A 33 13.519 -4.896 10.561 1.00 0.00 C ATOM 481 CE1 PHE A 33 13.856 -6.374 8.261 1.00 0.00 C ATOM 482 CE2 PHE A 33 14.423 -4.484 9.601 1.00 0.00 C ATOM 483 CZ PHE A 33 14.591 -5.223 8.450 1.00 0.00 C ATOM 0 H PHE A 33 10.296 -7.618 9.484 1.00 0.00 H new ATOM 0 HA PHE A 33 9.764 -6.313 12.092 1.00 0.00 H new ATOM 0 HB2 PHE A 33 12.025 -5.957 12.383 1.00 0.00 H new ATOM 0 HB3 PHE A 33 11.994 -7.562 11.681 1.00 0.00 H new ATOM 0 HD1 PHE A 33 12.390 -7.698 9.071 1.00 0.00 H new ATOM 0 HD2 PHE A 33 13.391 -4.308 11.458 1.00 0.00 H new ATOM 0 HE1 PHE A 33 13.983 -6.952 7.357 1.00 0.00 H new ATOM 0 HE2 PHE A 33 14.998 -3.583 9.753 1.00 0.00 H new ATOM 0 HZ PHE A 33 15.296 -4.901 7.698 1.00 0.00 H new ATOM 493 N PRO A 34 9.613 -3.984 11.123 1.00 0.00 N ATOM 494 CA PRO A 34 9.418 -2.653 10.551 1.00 0.00 C ATOM 495 C PRO A 34 10.752 -1.954 10.302 1.00 0.00 C ATOM 496 O PRO A 34 11.748 -2.248 10.965 1.00 0.00 O ATOM 497 CB PRO A 34 8.614 -1.895 11.630 1.00 0.00 C ATOM 498 CG PRO A 34 8.229 -2.921 12.649 1.00 0.00 C ATOM 499 CD PRO A 34 9.259 -4.009 12.550 1.00 0.00 C ATOM 0 HA PRO A 34 8.912 -2.693 9.587 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.213 -1.103 12.080 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.732 -1.422 11.199 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.212 -2.490 13.650 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.230 -3.310 12.453 1.00 0.00 H new ATOM 0 HD2 PRO A 34 10.122 -3.810 13.186 1.00 0.00 H new ATOM 0 HD3 PRO A 34 8.857 -4.976 12.852 1.00 0.00 H new ATOM 507 N GLN A 35 10.765 -1.035 9.348 1.00 0.00 N ATOM 508 CA GLN A 35 11.953 -0.221 9.083 1.00 0.00 C ATOM 509 C GLN A 35 12.111 0.858 10.163 1.00 0.00 C ATOM 510 O GLN A 35 11.493 0.765 11.226 1.00 0.00 O ATOM 511 CB GLN A 35 11.896 0.378 7.657 1.00 0.00 C ATOM 512 CG GLN A 35 10.488 0.508 7.077 1.00 0.00 C ATOM 513 CD GLN A 35 9.694 1.680 7.627 1.00 0.00 C ATOM 514 OE1 GLN A 35 9.918 2.146 8.741 1.00 0.00 O ATOM 515 NE2 GLN A 35 8.730 2.140 6.853 1.00 0.00 N ATOM 0 H GLN A 35 9.970 -0.831 8.743 1.00 0.00 H new ATOM 0 HA GLN A 35 12.838 -0.856 9.127 1.00 0.00 H new ATOM 0 HB2 GLN A 35 12.361 1.364 7.672 1.00 0.00 H new ATOM 0 HB3 GLN A 35 12.493 -0.245 6.991 1.00 0.00 H new ATOM 0 HG2 GLN A 35 10.561 0.609 5.994 1.00 0.00 H new ATOM 0 HG3 GLN A 35 9.939 -0.413 7.275 1.00 0.00 H new ATOM 0 HE21 GLN A 35 8.574 1.728 5.933 1.00 0.00 H new ATOM 0 HE22 GLN A 35 8.141 2.908 7.174 1.00 0.00 H new ATOM 524 N GLU A 36 12.929 1.877 9.885 1.00 0.00 N ATOM 525 CA GLU A 36 13.273 2.910 10.874 1.00 0.00 C ATOM 526 C GLU A 36 12.049 3.435 11.635 1.00 0.00 C ATOM 527 O GLU A 36 12.146 3.767 12.818 1.00 0.00 O ATOM 528 CB GLU A 36 13.977 4.092 10.201 1.00 0.00 C ATOM 529 CG GLU A 36 15.219 3.718 9.404 1.00 0.00 C ATOM 530 CD GLU A 36 16.005 4.944 8.971 1.00 0.00 C ATOM 531 OE1 GLU A 36 15.528 5.685 8.087 1.00 0.00 O ATOM 532 OE2 GLU A 36 17.091 5.187 9.540 1.00 0.00 O ATOM 0 H GLU A 36 13.370 2.012 8.975 1.00 0.00 H new ATOM 0 HA GLU A 36 13.939 2.430 11.591 1.00 0.00 H new ATOM 0 HB2 GLU A 36 13.270 4.589 9.536 1.00 0.00 H new ATOM 0 HB3 GLU A 36 14.257 4.816 10.967 1.00 0.00 H new ATOM 0 HG2 GLU A 36 15.857 3.072 10.008 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.927 3.145 8.524 1.00 0.00 H new ATOM 539 N GLY A 37 10.911 3.510 10.949 1.00 0.00 N ATOM 540 CA GLY A 37 9.709 4.082 11.540 1.00 0.00 C ATOM 541 C GLY A 37 9.155 3.251 12.685 1.00 0.00 C ATOM 542 O GLY A 37 8.525 3.787 13.597 1.00 0.00 O ATOM 0 H GLY A 37 10.798 3.183 9.989 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.931 5.086 11.902 1.00 0.00 H new ATOM 0 HA3 GLY A 37 8.945 4.183 10.769 1.00 0.00 H new ATOM 546 N GLY A 38 9.369 1.937 12.619 1.00 0.00 N ATOM 547 CA GLY A 38 8.896 1.034 13.663 1.00 0.00 C ATOM 548 C GLY A 38 7.390 1.094 13.872 1.00 0.00 C ATOM 549 O GLY A 38 6.872 0.582 14.869 1.00 0.00 O ATOM 0 H GLY A 38 9.865 1.477 11.856 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.180 0.013 13.407 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.396 1.279 14.600 1.00 0.00 H new ATOM 553 N GLY A 39 6.689 1.716 12.929 1.00 0.00 N ATOM 554 CA GLY A 39 5.256 1.896 13.049 1.00 0.00 C ATOM 555 C GLY A 39 4.775 3.090 12.251 1.00 0.00 C ATOM 556 O GLY A 39 3.754 3.023 11.566 1.00 0.00 O ATOM 0 H GLY A 39 7.094 2.102 12.076 1.00 0.00 H new ATOM 0 HA2 GLY A 39 4.746 0.997 12.703 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.992 2.029 14.098 1.00 0.00 H new ATOM 560 N ILE A 40 5.519 4.186 12.332 1.00 0.00 N ATOM 561 CA ILE A 40 5.175 5.402 11.599 1.00 0.00 C ATOM 562 C ILE A 40 5.830 5.398 10.214 1.00 0.00 C ATOM 563 O ILE A 40 7.054 5.464 10.086 1.00 0.00 O ATOM 564 CB ILE A 40 5.579 6.682 12.381 1.00 0.00 C ATOM 565 CG1 ILE A 40 7.081 6.680 12.718 1.00 0.00 C ATOM 566 CG2 ILE A 40 4.745 6.809 13.654 1.00 0.00 C ATOM 567 CD1 ILE A 40 7.557 7.935 13.422 1.00 0.00 C ATOM 0 H ILE A 40 6.365 4.260 12.897 1.00 0.00 H new ATOM 0 HA ILE A 40 4.092 5.415 11.480 1.00 0.00 H new ATOM 0 HB ILE A 40 5.382 7.544 11.743 1.00 0.00 H new ATOM 0 HG12 ILE A 40 7.300 5.817 13.347 1.00 0.00 H new ATOM 0 HG13 ILE A 40 7.649 6.555 11.796 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.038 7.710 14.193 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.689 6.870 13.392 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.912 5.937 14.287 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.625 7.856 13.625 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.372 8.801 12.787 1.00 0.00 H new ATOM 0 HD13 ILE A 40 7.017 8.052 14.362 1.00 0.00 H new ATOM 579 N SER A 41 5.010 5.270 9.175 1.00 0.00 N ATOM 580 CA SER A 41 5.497 5.303 7.798 1.00 0.00 C ATOM 581 C SER A 41 4.465 5.947 6.875 1.00 0.00 C ATOM 582 O SER A 41 3.281 5.604 6.923 1.00 0.00 O ATOM 583 CB SER A 41 5.814 3.882 7.321 1.00 0.00 C ATOM 584 OG SER A 41 6.718 3.237 8.205 1.00 0.00 O ATOM 0 H SER A 41 4.002 5.142 9.260 1.00 0.00 H new ATOM 0 HA SER A 41 6.407 5.902 7.768 1.00 0.00 H new ATOM 0 HB2 SER A 41 4.893 3.304 7.252 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.243 3.918 6.320 1.00 0.00 H new ATOM 0 HG SER A 41 6.250 2.526 8.690 1.00 0.00 H new ATOM 590 N ARG A 42 4.914 6.893 6.058 1.00 0.00 N ATOM 591 CA ARG A 42 4.055 7.536 5.069 1.00 0.00 C ATOM 592 C ARG A 42 4.117 6.764 3.753 1.00 0.00 C ATOM 593 O ARG A 42 5.103 6.852 3.016 1.00 0.00 O ATOM 594 CB ARG A 42 4.488 8.991 4.846 1.00 0.00 C ATOM 595 CG ARG A 42 3.522 9.805 3.986 1.00 0.00 C ATOM 596 CD ARG A 42 4.081 11.187 3.669 1.00 0.00 C ATOM 597 NE ARG A 42 3.075 12.071 3.073 1.00 0.00 N ATOM 598 CZ ARG A 42 3.309 12.885 2.041 1.00 0.00 C ATOM 599 NH1 ARG A 42 4.448 12.801 1.365 1.00 0.00 N ATOM 600 NH2 ARG A 42 2.376 13.741 1.644 1.00 0.00 N ATOM 0 H ARG A 42 5.875 7.234 6.061 1.00 0.00 H new ATOM 0 HA ARG A 42 3.030 7.534 5.439 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.595 9.479 5.815 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.471 8.998 4.375 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.322 9.271 3.057 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.569 9.908 4.506 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.464 11.640 4.584 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.924 11.087 2.986 1.00 0.00 H new ATOM 0 HE ARG A 42 2.136 12.064 3.472 1.00 0.00 H new ATOM 0 HH11 ARG A 42 5.150 12.112 1.633 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.621 13.426 0.577 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.479 13.778 2.127 1.00 0.00 H new ATOM 0 HH22 ARG A 42 2.556 14.362 0.855 1.00 0.00 H new ATOM 614 N VAL A 43 3.077 5.987 3.480 1.00 0.00 N ATOM 615 CA VAL A 43 3.007 5.195 2.258 1.00 0.00 C ATOM 616 C VAL A 43 2.545 6.066 1.092 1.00 0.00 C ATOM 617 O VAL A 43 1.345 6.271 0.892 1.00 0.00 O ATOM 618 CB VAL A 43 2.047 3.989 2.423 1.00 0.00 C ATOM 619 CG1 VAL A 43 2.104 3.072 1.200 1.00 0.00 C ATOM 620 CG2 VAL A 43 2.370 3.217 3.703 1.00 0.00 C ATOM 0 H VAL A 43 2.266 5.888 4.091 1.00 0.00 H new ATOM 0 HA VAL A 43 4.006 4.811 2.051 1.00 0.00 H new ATOM 0 HB VAL A 43 1.030 4.372 2.504 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.421 2.234 1.341 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.812 3.632 0.312 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.119 2.696 1.074 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.686 2.374 3.802 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.395 2.849 3.657 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.260 3.877 4.564 1.00 0.00 H new ATOM 630 N GLY A 44 3.507 6.599 0.347 1.00 0.00 N ATOM 631 CA GLY A 44 3.202 7.485 -0.762 1.00 0.00 C ATOM 632 C GLY A 44 3.027 6.741 -2.073 1.00 0.00 C ATOM 633 O GLY A 44 3.955 6.657 -2.880 1.00 0.00 O ATOM 0 H GLY A 44 4.502 6.431 0.493 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.291 8.040 -0.539 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.003 8.217 -0.868 1.00 0.00 H new ATOM 637 N VAL A 45 1.838 6.187 -2.283 1.00 0.00 N ATOM 638 CA VAL A 45 1.518 5.509 -3.535 1.00 0.00 C ATOM 639 C VAL A 45 1.246 6.541 -4.629 1.00 0.00 C ATOM 640 O VAL A 45 0.223 7.241 -4.604 1.00 0.00 O ATOM 641 CB VAL A 45 0.293 4.571 -3.388 1.00 0.00 C ATOM 642 CG1 VAL A 45 -0.006 3.847 -4.703 1.00 0.00 C ATOM 643 CG2 VAL A 45 0.518 3.572 -2.254 1.00 0.00 C ATOM 0 H VAL A 45 1.079 6.194 -1.602 1.00 0.00 H new ATOM 0 HA VAL A 45 2.377 4.896 -3.807 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.575 5.181 -3.140 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.870 3.196 -4.571 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.219 4.580 -5.481 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.858 3.249 -4.994 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -0.352 2.921 -2.165 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.401 2.970 -2.469 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.666 4.111 -1.318 1.00 0.00 H new ATOM 653 N CYS A 46 2.174 6.648 -5.576 1.00 0.00 N ATOM 654 CA CYS A 46 2.075 7.622 -6.656 1.00 0.00 C ATOM 655 C CYS A 46 1.941 6.927 -8.009 1.00 0.00 C ATOM 656 O CYS A 46 2.632 5.941 -8.283 1.00 0.00 O ATOM 657 CB CYS A 46 3.309 8.534 -6.646 1.00 0.00 C ATOM 658 SG CYS A 46 4.884 7.644 -6.648 1.00 0.00 S ATOM 0 H CYS A 46 3.010 6.065 -5.616 1.00 0.00 H new ATOM 0 HA CYS A 46 1.181 8.225 -6.498 1.00 0.00 H new ATOM 0 HB2 CYS A 46 3.272 9.187 -7.518 1.00 0.00 H new ATOM 0 HB3 CYS A 46 3.267 9.175 -5.765 1.00 0.00 H new ATOM 0 HG CYS A 46 4.756 6.534 -5.983 1.00 0.00 H new ATOM 664 N LYS A 47 1.041 7.442 -8.846 1.00 0.00 N ATOM 665 CA LYS A 47 0.864 6.926 -10.198 1.00 0.00 C ATOM 666 C LYS A 47 1.761 7.708 -11.153 1.00 0.00 C ATOM 667 O LYS A 47 1.379 8.773 -11.650 1.00 0.00 O ATOM 668 CB LYS A 47 -0.606 7.035 -10.637 1.00 0.00 C ATOM 669 CG LYS A 47 -0.892 6.389 -11.992 1.00 0.00 C ATOM 670 CD LYS A 47 -2.291 6.719 -12.515 1.00 0.00 C ATOM 671 CE LYS A 47 -3.393 6.179 -11.611 1.00 0.00 C ATOM 672 NZ LYS A 47 -4.746 6.487 -12.146 1.00 0.00 N ATOM 0 H LYS A 47 0.423 8.218 -8.608 1.00 0.00 H new ATOM 0 HA LYS A 47 1.141 5.872 -10.216 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.237 6.568 -9.881 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.886 8.088 -10.680 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.149 6.725 -12.715 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.786 5.308 -11.905 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.396 7.800 -12.605 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.409 6.303 -13.515 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.281 5.100 -11.506 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.289 6.609 -10.615 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.469 6.104 -11.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.863 7.518 -12.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.854 6.055 -13.086 1.00 0.00 H new ATOM 686 N VAL A 48 2.965 7.200 -11.372 1.00 0.00 N ATOM 687 CA VAL A 48 3.947 7.879 -12.208 1.00 0.00 C ATOM 688 C VAL A 48 3.712 7.559 -13.685 1.00 0.00 C ATOM 689 O VAL A 48 3.880 6.420 -14.131 1.00 0.00 O ATOM 690 CB VAL A 48 5.400 7.516 -11.792 1.00 0.00 C ATOM 691 CG1 VAL A 48 5.713 8.071 -10.402 1.00 0.00 C ATOM 692 CG2 VAL A 48 5.629 6.005 -11.824 1.00 0.00 C ATOM 0 H VAL A 48 3.288 6.315 -10.980 1.00 0.00 H new ATOM 0 HA VAL A 48 3.820 8.952 -12.061 1.00 0.00 H new ATOM 0 HB VAL A 48 6.076 7.973 -12.515 1.00 0.00 H new ATOM 0 HG11 VAL A 48 6.734 7.808 -10.127 1.00 0.00 H new ATOM 0 HG12 VAL A 48 5.608 9.156 -10.411 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.020 7.646 -9.676 1.00 0.00 H new ATOM 0 HG21 VAL A 48 6.655 5.786 -11.528 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.940 5.518 -11.134 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.455 5.632 -12.833 1.00 0.00 H new ATOM 702 N MET A 49 3.288 8.572 -14.438 1.00 0.00 N ATOM 703 CA MET A 49 3.020 8.419 -15.863 1.00 0.00 C ATOM 704 C MET A 49 4.202 8.920 -16.682 1.00 0.00 C ATOM 705 O MET A 49 4.655 10.055 -16.511 1.00 0.00 O ATOM 706 CB MET A 49 1.727 9.159 -16.261 1.00 0.00 C ATOM 707 CG MET A 49 1.740 10.661 -16.004 1.00 0.00 C ATOM 708 SD MET A 49 0.152 11.440 -16.377 1.00 0.00 S ATOM 709 CE MET A 49 -0.922 10.606 -15.206 1.00 0.00 C ATOM 0 H MET A 49 3.122 9.513 -14.080 1.00 0.00 H new ATOM 0 HA MET A 49 2.879 7.359 -16.073 1.00 0.00 H new ATOM 0 HB2 MET A 49 1.540 8.989 -17.321 1.00 0.00 H new ATOM 0 HB3 MET A 49 0.892 8.719 -15.716 1.00 0.00 H new ATOM 0 HG2 MET A 49 1.996 10.846 -14.961 1.00 0.00 H new ATOM 0 HG3 MET A 49 2.519 11.123 -16.610 1.00 0.00 H new ATOM 0 HE1 MET A 49 -1.809 11.214 -15.028 1.00 0.00 H new ATOM 0 HE2 MET A 49 -1.220 9.639 -15.611 1.00 0.00 H new ATOM 0 HE3 MET A 49 -0.390 10.457 -14.266 1.00 0.00 H new ATOM 719 N HIS A 50 4.718 8.057 -17.549 1.00 0.00 N ATOM 720 CA HIS A 50 5.829 8.416 -18.420 1.00 0.00 C ATOM 721 C HIS A 50 5.363 9.414 -19.482 1.00 0.00 C ATOM 722 O HIS A 50 4.317 9.218 -20.108 1.00 0.00 O ATOM 723 CB HIS A 50 6.449 7.162 -19.065 1.00 0.00 C ATOM 724 CG HIS A 50 5.473 6.272 -19.786 1.00 0.00 C ATOM 725 ND1 HIS A 50 4.533 5.421 -19.292 1.00 0.00 N flip ATOM 726 CD2 HIS A 50 5.412 6.146 -21.155 1.00 0.00 C flip ATOM 727 CE1 HIS A 50 3.902 4.777 -20.349 1.00 0.00 C flip ATOM 728 NE2 HIS A 50 4.465 5.245 -21.445 1.00 0.00 N flip ATOM 0 H HIS A 50 4.383 7.101 -17.667 1.00 0.00 H new ATOM 0 HA HIS A 50 6.604 8.892 -17.820 1.00 0.00 H new ATOM 0 HB2 HIS A 50 7.220 7.477 -19.769 1.00 0.00 H new ATOM 0 HB3 HIS A 50 6.945 6.579 -18.289 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.021 6.680 -21.870 1.00 0.00 H new ATOM 0 HE1 HIS A 50 3.112 4.043 -20.286 1.00 0.00 H new ATOM 0 HE2 HIS A 50 4.212 4.958 -22.391 1.00 0.00 H new ATOM 736 N PRO A 51 6.132 10.504 -19.688 1.00 0.00 N ATOM 737 CA PRO A 51 5.751 11.586 -20.604 1.00 0.00 C ATOM 738 C PRO A 51 5.491 11.084 -22.023 1.00 0.00 C ATOM 739 O PRO A 51 6.215 10.222 -22.530 1.00 0.00 O ATOM 740 CB PRO A 51 6.961 12.540 -20.575 1.00 0.00 C ATOM 741 CG PRO A 51 8.079 11.731 -20.009 1.00 0.00 C ATOM 742 CD PRO A 51 7.438 10.764 -19.056 1.00 0.00 C ATOM 0 HA PRO A 51 4.819 12.062 -20.299 1.00 0.00 H new ATOM 0 HB2 PRO A 51 7.202 12.901 -21.575 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.758 13.416 -19.960 1.00 0.00 H new ATOM 0 HG2 PRO A 51 8.619 11.205 -20.796 1.00 0.00 H new ATOM 0 HG3 PRO A 51 8.801 12.366 -19.496 1.00 0.00 H new ATOM 0 HD2 PRO A 51 8.025 9.852 -18.949 1.00 0.00 H new ATOM 0 HD3 PRO A 51 7.328 11.191 -18.059 1.00 0.00 H new ATOM 750 N GLU A 52 4.442 11.625 -22.646 1.00 0.00 N ATOM 751 CA GLU A 52 4.070 11.289 -24.022 1.00 0.00 C ATOM 752 C GLU A 52 3.613 9.833 -24.131 1.00 0.00 C ATOM 753 O GLU A 52 3.526 9.279 -25.229 1.00 0.00 O ATOM 754 CB GLU A 52 5.245 11.561 -24.974 1.00 0.00 C ATOM 755 CG GLU A 52 5.773 12.989 -24.890 1.00 0.00 C ATOM 756 CD GLU A 52 6.982 13.220 -25.776 1.00 0.00 C ATOM 757 OE1 GLU A 52 8.110 12.893 -25.347 1.00 0.00 O ATOM 758 OE2 GLU A 52 6.810 13.724 -26.911 1.00 0.00 O ATOM 0 H GLU A 52 3.825 12.310 -22.209 1.00 0.00 H new ATOM 0 HA GLU A 52 3.232 11.923 -24.311 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.055 10.868 -24.747 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.929 11.358 -25.997 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.981 13.682 -25.175 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.037 13.214 -23.857 1.00 0.00 H new ATOM 765 N GLY A 53 3.308 9.231 -22.981 1.00 0.00 N ATOM 766 CA GLY A 53 2.856 7.853 -22.948 1.00 0.00 C ATOM 767 C GLY A 53 1.513 7.667 -23.629 1.00 0.00 C ATOM 768 O GLY A 53 0.673 8.568 -23.612 1.00 0.00 O ATOM 0 H GLY A 53 3.368 9.680 -22.067 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.597 7.219 -23.434 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.784 7.522 -21.912 1.00 0.00 H new ATOM 772 N ASN A 54 1.306 6.497 -24.222 1.00 0.00 N ATOM 773 CA ASN A 54 0.075 6.214 -24.960 1.00 0.00 C ATOM 774 C ASN A 54 -1.070 5.866 -24.006 1.00 0.00 C ATOM 775 O ASN A 54 -2.246 5.961 -24.372 1.00 0.00 O ATOM 776 CB ASN A 54 0.297 5.071 -25.962 1.00 0.00 C ATOM 777 CG ASN A 54 0.616 3.739 -25.297 1.00 0.00 C ATOM 778 OD1 ASN A 54 1.216 3.690 -24.221 1.00 0.00 O ATOM 779 ND2 ASN A 54 0.224 2.651 -25.938 1.00 0.00 N ATOM 0 H ASN A 54 1.974 5.726 -24.208 1.00 0.00 H new ATOM 0 HA ASN A 54 -0.200 7.114 -25.510 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -0.596 4.957 -26.576 1.00 0.00 H new ATOM 0 HB3 ASN A 54 1.113 5.339 -26.633 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.416 1.730 -25.544 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.270 2.733 -26.827 1.00 0.00 H new ATOM 786 N GLY A 55 -0.726 5.452 -22.793 1.00 0.00 N ATOM 787 CA GLY A 55 -1.736 5.133 -21.800 1.00 0.00 C ATOM 788 C GLY A 55 -1.182 4.302 -20.665 1.00 0.00 C ATOM 789 O GLY A 55 -0.135 3.664 -20.815 1.00 0.00 O ATOM 0 H GLY A 55 0.236 5.331 -22.478 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.154 6.057 -21.400 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -2.554 4.593 -22.277 1.00 0.00 H new ATOM 793 N ARG A 56 -1.907 4.293 -19.547 1.00 0.00 N ATOM 794 CA ARG A 56 -1.499 3.596 -18.323 1.00 0.00 C ATOM 795 C ARG A 56 -0.266 4.249 -17.705 1.00 0.00 C ATOM 796 O ARG A 56 0.372 5.111 -18.315 1.00 0.00 O ATOM 797 CB ARG A 56 -1.244 2.102 -18.582 1.00 0.00 C ATOM 798 CG ARG A 56 -2.462 1.359 -19.119 1.00 0.00 C ATOM 799 CD ARG A 56 -2.209 -0.138 -19.236 1.00 0.00 C ATOM 800 NE ARG A 56 -3.337 -0.829 -19.857 1.00 0.00 N ATOM 801 CZ ARG A 56 -4.305 -1.449 -19.184 1.00 0.00 C ATOM 802 NH1 ARG A 56 -4.315 -1.455 -17.857 1.00 0.00 N ATOM 803 NH2 ARG A 56 -5.278 -2.050 -19.844 1.00 0.00 N ATOM 0 H ARG A 56 -2.803 4.773 -19.462 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.323 3.677 -17.614 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -0.424 2.000 -19.293 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -0.922 1.631 -17.654 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.313 1.533 -18.460 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.729 1.759 -20.097 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -1.308 -0.310 -19.825 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.027 -0.555 -18.245 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.386 -0.837 -20.876 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.575 -0.981 -17.339 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -5.063 -1.934 -17.355 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.286 -2.038 -20.864 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.022 -2.526 -19.334 1.00 0.00 H new ATOM 817 N SER A 57 0.054 3.851 -16.481 1.00 0.00 N ATOM 818 CA SER A 57 1.174 4.427 -15.749 1.00 0.00 C ATOM 819 C SER A 57 1.721 3.428 -14.735 1.00 0.00 C ATOM 820 O SER A 57 1.042 2.462 -14.377 1.00 0.00 O ATOM 821 CB SER A 57 0.720 5.704 -15.033 1.00 0.00 C ATOM 822 OG SER A 57 0.136 6.625 -15.940 1.00 0.00 O ATOM 0 H SER A 57 -0.451 3.126 -15.971 1.00 0.00 H new ATOM 0 HA SER A 57 1.967 4.671 -16.456 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.000 5.451 -14.255 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.573 6.169 -14.539 1.00 0.00 H new ATOM 0 HG SER A 57 -0.540 7.159 -15.474 1.00 0.00 H new ATOM 828 N GLY A 58 2.945 3.666 -14.278 1.00 0.00 N ATOM 829 CA GLY A 58 3.544 2.821 -13.263 1.00 0.00 C ATOM 830 C GLY A 58 3.174 3.291 -11.871 1.00 0.00 C ATOM 831 O GLY A 58 2.776 4.443 -11.688 1.00 0.00 O ATOM 0 H GLY A 58 3.536 4.434 -14.595 1.00 0.00 H new ATOM 0 HA2 GLY A 58 3.214 1.792 -13.402 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.628 2.826 -13.375 1.00 0.00 H new ATOM 835 N PHE A 59 3.299 2.410 -10.889 1.00 0.00 N ATOM 836 CA PHE A 59 2.979 2.757 -9.511 1.00 0.00 C ATOM 837 C PHE A 59 4.218 2.639 -8.636 1.00 0.00 C ATOM 838 O PHE A 59 4.687 1.535 -8.346 1.00 0.00 O ATOM 839 CB PHE A 59 1.843 1.869 -8.978 1.00 0.00 C ATOM 840 CG PHE A 59 0.514 2.138 -9.647 1.00 0.00 C ATOM 841 CD1 PHE A 59 0.167 1.494 -10.827 1.00 0.00 C ATOM 842 CD2 PHE A 59 -0.383 3.047 -9.099 1.00 0.00 C ATOM 843 CE1 PHE A 59 -1.043 1.749 -11.442 1.00 0.00 C ATOM 844 CE2 PHE A 59 -1.593 3.306 -9.714 1.00 0.00 C ATOM 845 CZ PHE A 59 -1.923 2.655 -10.888 1.00 0.00 C ATOM 0 H PHE A 59 3.619 1.451 -11.020 1.00 0.00 H new ATOM 0 HA PHE A 59 2.637 3.792 -9.483 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.110 0.822 -9.123 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.741 2.026 -7.904 1.00 0.00 H new ATOM 0 HD1 PHE A 59 0.851 0.785 -11.269 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.131 3.557 -8.181 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -1.300 1.238 -12.358 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.280 4.016 -9.278 1.00 0.00 H new ATOM 0 HZ PHE A 59 -2.868 2.855 -11.370 1.00 0.00 H new ATOM 855 N LEU A 60 4.763 3.781 -8.240 1.00 0.00 N ATOM 856 CA LEU A 60 5.945 3.813 -7.396 1.00 0.00 C ATOM 857 C LEU A 60 5.506 3.783 -5.937 1.00 0.00 C ATOM 858 O LEU A 60 4.987 4.775 -5.414 1.00 0.00 O ATOM 859 CB LEU A 60 6.785 5.076 -7.688 1.00 0.00 C ATOM 860 CG LEU A 60 8.296 4.985 -7.373 1.00 0.00 C ATOM 861 CD1 LEU A 60 9.002 6.283 -7.762 1.00 0.00 C ATOM 862 CD2 LEU A 60 8.553 4.661 -5.903 1.00 0.00 C ATOM 0 H LEU A 60 4.402 4.701 -8.492 1.00 0.00 H new ATOM 0 HA LEU A 60 6.569 2.945 -7.606 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.670 5.326 -8.743 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.366 5.904 -7.117 1.00 0.00 H new ATOM 0 HG LEU A 60 8.704 4.166 -7.966 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.065 6.202 -7.534 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.873 6.462 -8.830 1.00 0.00 H new ATOM 0 HD13 LEU A 60 8.573 7.113 -7.201 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.627 4.606 -5.725 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.121 5.442 -5.277 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.095 3.703 -5.656 1.00 0.00 H new ATOM 874 N ILE A 61 5.673 2.633 -5.293 1.00 0.00 N ATOM 875 CA ILE A 61 5.397 2.520 -3.872 1.00 0.00 C ATOM 876 C ILE A 61 6.504 3.227 -3.097 1.00 0.00 C ATOM 877 O ILE A 61 7.528 2.626 -2.757 1.00 0.00 O ATOM 878 CB ILE A 61 5.270 1.041 -3.411 1.00 0.00 C ATOM 879 CG1 ILE A 61 4.158 0.332 -4.204 1.00 0.00 C ATOM 880 CG2 ILE A 61 4.996 0.965 -1.907 1.00 0.00 C ATOM 881 CD1 ILE A 61 3.955 -1.120 -3.819 1.00 0.00 C ATOM 0 H ILE A 61 5.997 1.772 -5.733 1.00 0.00 H new ATOM 0 HA ILE A 61 4.435 2.993 -3.672 1.00 0.00 H new ATOM 0 HB ILE A 61 6.214 0.533 -3.608 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.222 0.870 -4.057 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.393 0.386 -5.267 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.911 -0.079 -1.605 1.00 0.00 H new ATOM 0 HG22 ILE A 61 5.816 1.434 -1.364 1.00 0.00 H new ATOM 0 HG23 ILE A 61 4.066 1.486 -1.680 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.155 -1.548 -4.423 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.877 -1.675 -3.993 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.687 -1.183 -2.764 1.00 0.00 H new ATOM 893 N HIS A 62 6.316 4.524 -2.882 1.00 0.00 N ATOM 894 CA HIS A 62 7.324 5.357 -2.247 1.00 0.00 C ATOM 895 C HIS A 62 7.101 5.395 -0.738 1.00 0.00 C ATOM 896 O HIS A 62 6.219 6.100 -0.241 1.00 0.00 O ATOM 897 CB HIS A 62 7.282 6.771 -2.847 1.00 0.00 C ATOM 898 CG HIS A 62 8.487 7.602 -2.529 1.00 0.00 C ATOM 899 ND1 HIS A 62 8.433 8.865 -1.986 1.00 0.00 N ATOM 900 CD2 HIS A 62 9.803 7.335 -2.724 1.00 0.00 C ATOM 901 CE1 HIS A 62 9.686 9.318 -1.874 1.00 0.00 C ATOM 902 NE2 HIS A 62 10.556 8.426 -2.307 1.00 0.00 N ATOM 0 H HIS A 62 5.465 5.023 -3.142 1.00 0.00 H new ATOM 0 HA HIS A 62 8.311 4.933 -2.431 1.00 0.00 H new ATOM 0 HB2 HIS A 62 7.182 6.693 -3.930 1.00 0.00 H new ATOM 0 HB3 HIS A 62 6.392 7.284 -2.481 1.00 0.00 H new ATOM 0 HD2 HIS A 62 10.202 6.420 -3.137 1.00 0.00 H new ATOM 0 HE1 HIS A 62 9.951 10.288 -1.480 1.00 0.00 H new ATOM 0 HE2 HIS A 62 11.572 8.518 -2.331 1.00 0.00 H new ATOM 910 N GLY A 63 7.883 4.599 -0.019 1.00 0.00 N ATOM 911 CA GLY A 63 7.758 4.520 1.422 1.00 0.00 C ATOM 912 C GLY A 63 8.584 5.572 2.129 1.00 0.00 C ATOM 913 O GLY A 63 9.786 5.384 2.362 1.00 0.00 O ATOM 0 H GLY A 63 8.609 4.001 -0.415 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.711 4.636 1.700 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.069 3.531 1.758 1.00 0.00 H new ATOM 917 N GLU A 64 7.944 6.688 2.454 1.00 0.00 N ATOM 918 CA GLU A 64 8.586 7.766 3.194 1.00 0.00 C ATOM 919 C GLU A 64 8.544 7.458 4.691 1.00 0.00 C ATOM 920 O GLU A 64 7.529 6.983 5.206 1.00 0.00 O ATOM 921 CB GLU A 64 7.869 9.094 2.905 1.00 0.00 C ATOM 922 CG GLU A 64 7.813 9.455 1.421 1.00 0.00 C ATOM 923 CD GLU A 64 6.905 10.645 1.139 1.00 0.00 C ATOM 924 OE1 GLU A 64 5.683 10.441 0.996 1.00 0.00 O ATOM 925 OE2 GLU A 64 7.404 11.789 1.070 1.00 0.00 O ATOM 0 H GLU A 64 6.970 6.871 2.213 1.00 0.00 H new ATOM 0 HA GLU A 64 9.626 7.852 2.879 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.852 9.040 3.295 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.375 9.894 3.445 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.819 9.680 1.068 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.461 8.593 0.855 1.00 0.00 H new ATOM 932 N ARG A 65 9.648 7.708 5.384 1.00 0.00 N ATOM 933 CA ARG A 65 9.719 7.487 6.828 1.00 0.00 C ATOM 934 C ARG A 65 9.890 8.830 7.532 1.00 0.00 C ATOM 935 O ARG A 65 10.801 9.588 7.204 1.00 0.00 O ATOM 936 CB ARG A 65 10.877 6.526 7.157 1.00 0.00 C ATOM 937 CG ARG A 65 10.875 5.978 8.587 1.00 0.00 C ATOM 938 CD ARG A 65 11.566 6.909 9.578 1.00 0.00 C ATOM 939 NE ARG A 65 12.998 7.048 9.298 1.00 0.00 N ATOM 940 CZ ARG A 65 13.831 7.809 10.008 1.00 0.00 C ATOM 941 NH1 ARG A 65 13.401 8.473 11.072 1.00 0.00 N ATOM 942 NH2 ARG A 65 15.109 7.873 9.671 1.00 0.00 N ATOM 0 H ARG A 65 10.510 8.065 4.971 1.00 0.00 H new ATOM 0 HA ARG A 65 8.797 7.026 7.181 1.00 0.00 H new ATOM 0 HB2 ARG A 65 10.842 5.687 6.462 1.00 0.00 H new ATOM 0 HB3 ARG A 65 11.820 7.044 6.984 1.00 0.00 H new ATOM 0 HG2 ARG A 65 9.846 5.814 8.907 1.00 0.00 H new ATOM 0 HG3 ARG A 65 11.372 5.008 8.600 1.00 0.00 H new ATOM 0 HD2 ARG A 65 11.093 7.891 9.543 1.00 0.00 H new ATOM 0 HD3 ARG A 65 11.430 6.526 10.589 1.00 0.00 H new ATOM 0 HE ARG A 65 13.382 6.529 8.509 1.00 0.00 H new ATOM 0 HH11 ARG A 65 12.423 8.405 11.355 1.00 0.00 H new ATOM 0 HH12 ARG A 65 14.048 9.052 11.607 1.00 0.00 H new ATOM 0 HH21 ARG A 65 15.453 7.342 8.871 1.00 0.00 H new ATOM 0 HH22 ARG A 65 15.750 8.454 10.211 1.00 0.00 H new ATOM 956 N GLN A 66 9.006 9.111 8.490 1.00 0.00 N ATOM 957 CA GLN A 66 8.961 10.410 9.174 1.00 0.00 C ATOM 958 C GLN A 66 10.198 10.642 10.054 1.00 0.00 C ATOM 959 O GLN A 66 11.232 9.996 9.872 1.00 0.00 O ATOM 960 CB GLN A 66 7.673 10.532 10.010 1.00 0.00 C ATOM 961 CG GLN A 66 6.388 10.529 9.182 1.00 0.00 C ATOM 962 CD GLN A 66 5.992 9.146 8.692 1.00 0.00 C ATOM 963 OE1 GLN A 66 6.409 8.705 7.624 1.00 0.00 O ATOM 964 NE2 GLN A 66 5.181 8.452 9.474 1.00 0.00 N ATOM 0 H GLN A 66 8.302 8.449 8.815 1.00 0.00 H new ATOM 0 HA GLN A 66 8.961 11.183 8.406 1.00 0.00 H new ATOM 0 HB2 GLN A 66 7.635 9.708 10.722 1.00 0.00 H new ATOM 0 HB3 GLN A 66 7.716 11.453 10.591 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.576 10.940 9.782 1.00 0.00 H new ATOM 0 HG3 GLN A 66 6.516 11.188 8.323 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.855 8.852 10.354 1.00 0.00 H new ATOM 0 HE22 GLN A 66 4.881 7.517 9.197 1.00 0.00 H new ATOM 973 N LYS A 67 10.078 11.580 11.002 1.00 0.00 N ATOM 974 CA LYS A 67 11.198 12.015 11.841 1.00 0.00 C ATOM 975 C LYS A 67 12.245 12.705 10.971 1.00 0.00 C ATOM 976 O LYS A 67 12.259 13.931 10.841 1.00 0.00 O ATOM 977 CB LYS A 67 11.842 10.840 12.598 1.00 0.00 C ATOM 978 CG LYS A 67 10.895 10.063 13.501 1.00 0.00 C ATOM 979 CD LYS A 67 10.413 10.898 14.688 1.00 0.00 C ATOM 980 CE LYS A 67 9.672 10.045 15.713 1.00 0.00 C ATOM 981 NZ LYS A 67 10.549 8.999 16.308 1.00 0.00 N ATOM 0 H LYS A 67 9.201 12.058 11.208 1.00 0.00 H new ATOM 0 HA LYS A 67 10.809 12.710 12.585 1.00 0.00 H new ATOM 0 HB2 LYS A 67 12.274 10.152 11.871 1.00 0.00 H new ATOM 0 HB3 LYS A 67 12.664 11.223 13.202 1.00 0.00 H new ATOM 0 HG2 LYS A 67 10.035 9.729 12.921 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.398 9.169 13.869 1.00 0.00 H new ATOM 0 HD2 LYS A 67 11.267 11.380 15.164 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.756 11.692 14.332 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.284 10.686 16.505 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.814 9.571 15.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 10.132 8.663 17.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.638 8.203 15.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.490 9.400 16.495 1.00 0.00 H new ATOM 995 N ASP A 68 13.093 11.896 10.346 1.00 0.00 N ATOM 996 CA ASP A 68 14.105 12.384 9.419 1.00 0.00 C ATOM 997 C ASP A 68 13.444 12.791 8.108 1.00 0.00 C ATOM 998 O ASP A 68 13.900 13.711 7.426 1.00 0.00 O ATOM 999 CB ASP A 68 15.147 11.285 9.156 1.00 0.00 C ATOM 1000 CG ASP A 68 16.027 10.992 10.360 1.00 0.00 C ATOM 1001 OD1 ASP A 68 15.618 10.176 11.221 1.00 0.00 O ATOM 1002 OD2 ASP A 68 17.140 11.548 10.443 1.00 0.00 O ATOM 0 H ASP A 68 13.098 10.883 10.468 1.00 0.00 H new ATOM 0 HA ASP A 68 14.603 13.249 9.856 1.00 0.00 H new ATOM 0 HB2 ASP A 68 14.634 10.371 8.859 1.00 0.00 H new ATOM 0 HB3 ASP A 68 15.777 11.584 8.318 1.00 0.00 H new ATOM 1007 N LYS A 69 12.351 12.098 7.787 1.00 0.00 N ATOM 1008 CA LYS A 69 11.617 12.291 6.539 1.00 0.00 C ATOM 1009 C LYS A 69 12.525 12.001 5.347 1.00 0.00 C ATOM 1010 O LYS A 69 13.114 12.907 4.753 1.00 0.00 O ATOM 1011 CB LYS A 69 11.007 13.700 6.446 1.00 0.00 C ATOM 1012 CG LYS A 69 10.089 13.894 5.239 1.00 0.00 C ATOM 1013 CD LYS A 69 8.872 12.967 5.288 1.00 0.00 C ATOM 1014 CE LYS A 69 7.990 13.119 4.048 1.00 0.00 C ATOM 1015 NZ LYS A 69 7.494 14.510 3.876 1.00 0.00 N ATOM 0 H LYS A 69 11.948 11.382 8.391 1.00 0.00 H new ATOM 0 HA LYS A 69 10.785 11.586 6.524 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.443 13.903 7.356 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.813 14.433 6.400 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.754 14.930 5.202 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.650 13.707 4.323 1.00 0.00 H new ATOM 0 HD2 LYS A 69 9.206 11.933 5.371 1.00 0.00 H new ATOM 0 HD3 LYS A 69 8.285 13.185 6.180 1.00 0.00 H new ATOM 0 HE2 LYS A 69 8.556 12.825 3.164 1.00 0.00 H new ATOM 0 HE3 LYS A 69 7.141 12.439 4.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 6.771 14.531 3.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.079 14.843 4.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 8.285 15.130 3.609 1.00 0.00 H new ATOM 1029 N LEU A 70 12.656 10.716 5.028 1.00 0.00 N ATOM 1030 CA LEU A 70 13.526 10.269 3.945 1.00 0.00 C ATOM 1031 C LEU A 70 12.981 8.987 3.316 1.00 0.00 C ATOM 1032 O LEU A 70 12.064 8.361 3.854 1.00 0.00 O ATOM 1033 CB LEU A 70 14.988 10.091 4.445 1.00 0.00 C ATOM 1034 CG LEU A 70 15.292 8.953 5.462 1.00 0.00 C ATOM 1035 CD1 LEU A 70 14.229 8.854 6.554 1.00 0.00 C ATOM 1036 CD2 LEU A 70 15.483 7.610 4.761 1.00 0.00 C ATOM 0 H LEU A 70 12.166 9.961 5.509 1.00 0.00 H new ATOM 0 HA LEU A 70 13.541 11.037 3.171 1.00 0.00 H new ATOM 0 HB2 LEU A 70 15.620 9.932 3.571 1.00 0.00 H new ATOM 0 HB3 LEU A 70 15.300 11.032 4.898 1.00 0.00 H new ATOM 0 HG LEU A 70 16.231 9.214 5.949 1.00 0.00 H new ATOM 0 HD11 LEU A 70 14.485 8.046 7.239 1.00 0.00 H new ATOM 0 HD12 LEU A 70 14.183 9.794 7.103 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.259 8.651 6.100 1.00 0.00 H new ATOM 0 HD21 LEU A 70 15.694 6.839 5.502 1.00 0.00 H new ATOM 0 HD22 LEU A 70 14.575 7.351 4.217 1.00 0.00 H new ATOM 0 HD23 LEU A 70 16.317 7.679 4.063 1.00 0.00 H new ATOM 1048 N VAL A 71 13.551 8.610 2.176 1.00 0.00 N ATOM 1049 CA VAL A 71 13.091 7.446 1.421 1.00 0.00 C ATOM 1050 C VAL A 71 13.700 6.157 1.980 1.00 0.00 C ATOM 1051 O VAL A 71 14.903 5.927 1.843 1.00 0.00 O ATOM 1052 CB VAL A 71 13.475 7.572 -0.074 1.00 0.00 C ATOM 1053 CG1 VAL A 71 12.828 6.458 -0.898 1.00 0.00 C ATOM 1054 CG2 VAL A 71 13.100 8.951 -0.612 1.00 0.00 C ATOM 0 H VAL A 71 14.339 9.098 1.750 1.00 0.00 H new ATOM 0 HA VAL A 71 12.006 7.405 1.516 1.00 0.00 H new ATOM 0 HB VAL A 71 14.556 7.462 -0.161 1.00 0.00 H new ATOM 0 HG11 VAL A 71 13.112 6.568 -1.945 1.00 0.00 H new ATOM 0 HG12 VAL A 71 13.166 5.490 -0.530 1.00 0.00 H new ATOM 0 HG13 VAL A 71 11.744 6.522 -0.808 1.00 0.00 H new ATOM 0 HG21 VAL A 71 13.378 9.019 -1.664 1.00 0.00 H new ATOM 0 HG22 VAL A 71 12.025 9.101 -0.510 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.629 9.718 -0.046 1.00 0.00 H new ATOM 1064 N VAL A 72 12.878 5.328 2.619 1.00 0.00 N ATOM 1065 CA VAL A 72 13.345 4.045 3.156 1.00 0.00 C ATOM 1066 C VAL A 72 12.931 2.886 2.248 1.00 0.00 C ATOM 1067 O VAL A 72 13.671 1.909 2.089 1.00 0.00 O ATOM 1068 CB VAL A 72 12.823 3.789 4.596 1.00 0.00 C ATOM 1069 CG1 VAL A 72 13.462 4.762 5.583 1.00 0.00 C ATOM 1070 CG2 VAL A 72 11.298 3.885 4.654 1.00 0.00 C ATOM 0 H VAL A 72 11.889 5.517 2.779 1.00 0.00 H new ATOM 0 HA VAL A 72 14.433 4.102 3.194 1.00 0.00 H new ATOM 0 HB VAL A 72 13.107 2.776 4.880 1.00 0.00 H new ATOM 0 HG11 VAL A 72 13.082 4.565 6.586 1.00 0.00 H new ATOM 0 HG12 VAL A 72 14.544 4.632 5.573 1.00 0.00 H new ATOM 0 HG13 VAL A 72 13.216 5.785 5.296 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.960 3.701 5.674 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.984 4.881 4.342 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.861 3.141 3.988 1.00 0.00 H new ATOM 1080 N LEU A 73 11.745 2.995 1.657 1.00 0.00 N ATOM 1081 CA LEU A 73 11.234 1.975 0.742 1.00 0.00 C ATOM 1082 C LEU A 73 11.070 2.557 -0.658 1.00 0.00 C ATOM 1083 O LEU A 73 10.293 3.487 -0.866 1.00 0.00 O ATOM 1084 CB LEU A 73 9.890 1.402 1.243 1.00 0.00 C ATOM 1085 CG LEU A 73 9.979 0.191 2.194 1.00 0.00 C ATOM 1086 CD1 LEU A 73 10.630 -1.000 1.496 1.00 0.00 C ATOM 1087 CD2 LEU A 73 10.738 0.540 3.471 1.00 0.00 C ATOM 0 H LEU A 73 11.115 3.785 1.796 1.00 0.00 H new ATOM 0 HA LEU A 73 11.957 1.160 0.705 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.346 2.198 1.752 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.296 1.114 0.376 1.00 0.00 H new ATOM 0 HG LEU A 73 8.962 -0.083 2.472 1.00 0.00 H new ATOM 0 HD11 LEU A 73 10.682 -1.842 2.186 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.037 -1.280 0.625 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.637 -0.729 1.177 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.782 -0.336 4.119 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.750 0.856 3.218 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.225 1.350 3.990 1.00 0.00 H new ATOM 1099 N GLU A 74 11.821 2.010 -1.599 1.00 0.00 N ATOM 1100 CA GLU A 74 11.728 2.393 -3.001 1.00 0.00 C ATOM 1101 C GLU A 74 11.318 1.161 -3.800 1.00 0.00 C ATOM 1102 O GLU A 74 12.124 0.251 -4.001 1.00 0.00 O ATOM 1103 CB GLU A 74 13.082 2.952 -3.488 1.00 0.00 C ATOM 1104 CG GLU A 74 13.054 3.625 -4.864 1.00 0.00 C ATOM 1105 CD GLU A 74 12.849 2.656 -6.023 1.00 0.00 C ATOM 1106 OE1 GLU A 74 13.791 1.901 -6.350 1.00 0.00 O ATOM 1107 OE2 GLU A 74 11.747 2.640 -6.609 1.00 0.00 O ATOM 0 H GLU A 74 12.515 1.286 -1.413 1.00 0.00 H new ATOM 0 HA GLU A 74 10.984 3.178 -3.137 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.443 3.674 -2.756 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.805 2.137 -3.515 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.256 4.367 -4.878 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.991 4.162 -5.014 1.00 0.00 H new ATOM 1114 N CYS A 75 10.058 1.107 -4.210 1.00 0.00 N ATOM 1115 CA CYS A 75 9.556 -0.029 -4.967 1.00 0.00 C ATOM 1116 C CYS A 75 8.716 0.442 -6.149 1.00 0.00 C ATOM 1117 O CYS A 75 7.490 0.558 -6.060 1.00 0.00 O ATOM 1118 CB CYS A 75 8.751 -0.969 -4.059 1.00 0.00 C ATOM 1119 SG CYS A 75 9.666 -1.561 -2.618 1.00 0.00 S ATOM 0 H CYS A 75 9.367 1.836 -4.031 1.00 0.00 H new ATOM 0 HA CYS A 75 10.407 -0.586 -5.359 1.00 0.00 H new ATOM 0 HB2 CYS A 75 7.855 -0.450 -3.719 1.00 0.00 H new ATOM 0 HB3 CYS A 75 8.420 -1.827 -4.644 1.00 0.00 H new ATOM 0 HG CYS A 75 9.393 -2.816 -2.416 1.00 0.00 H new ATOM 1125 N TYR A 76 9.398 0.772 -7.238 1.00 0.00 N ATOM 1126 CA TYR A 76 8.743 1.086 -8.498 1.00 0.00 C ATOM 1127 C TYR A 76 8.128 -0.188 -9.069 1.00 0.00 C ATOM 1128 O TYR A 76 8.844 -1.064 -9.555 1.00 0.00 O ATOM 1129 CB TYR A 76 9.759 1.688 -9.483 1.00 0.00 C ATOM 1130 CG TYR A 76 9.199 2.005 -10.861 1.00 0.00 C ATOM 1131 CD1 TYR A 76 8.565 3.218 -11.115 1.00 0.00 C ATOM 1132 CD2 TYR A 76 9.317 1.096 -11.910 1.00 0.00 C ATOM 1133 CE1 TYR A 76 8.066 3.513 -12.369 1.00 0.00 C ATOM 1134 CE2 TYR A 76 8.822 1.387 -13.166 1.00 0.00 C ATOM 1135 CZ TYR A 76 8.198 2.596 -13.391 1.00 0.00 C ATOM 1136 OH TYR A 76 7.711 2.894 -14.647 1.00 0.00 O ATOM 0 H TYR A 76 10.416 0.829 -7.272 1.00 0.00 H new ATOM 0 HA TYR A 76 7.955 1.820 -8.333 1.00 0.00 H new ATOM 0 HB2 TYR A 76 10.164 2.603 -9.051 1.00 0.00 H new ATOM 0 HB3 TYR A 76 10.591 0.993 -9.595 1.00 0.00 H new ATOM 0 HD1 TYR A 76 8.462 3.940 -10.319 1.00 0.00 H new ATOM 0 HD2 TYR A 76 9.804 0.147 -11.738 1.00 0.00 H new ATOM 0 HE1 TYR A 76 7.575 4.458 -12.548 1.00 0.00 H new ATOM 0 HE2 TYR A 76 8.923 0.671 -13.968 1.00 0.00 H new ATOM 0 HH TYR A 76 7.885 2.143 -15.252 1.00 0.00 H new ATOM 1146 N VAL A 77 6.808 -0.302 -8.992 1.00 0.00 N ATOM 1147 CA VAL A 77 6.124 -1.515 -9.406 1.00 0.00 C ATOM 1148 C VAL A 77 5.528 -1.323 -10.792 1.00 0.00 C ATOM 1149 O VAL A 77 4.874 -0.310 -11.066 1.00 0.00 O ATOM 1150 CB VAL A 77 5.014 -1.910 -8.407 1.00 0.00 C ATOM 1151 CG1 VAL A 77 4.394 -3.249 -8.793 1.00 0.00 C ATOM 1152 CG2 VAL A 77 5.560 -1.957 -6.980 1.00 0.00 C ATOM 0 H VAL A 77 6.191 0.433 -8.646 1.00 0.00 H new ATOM 0 HA VAL A 77 6.856 -2.322 -9.429 1.00 0.00 H new ATOM 0 HB VAL A 77 4.234 -1.149 -8.446 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.615 -3.509 -8.077 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.960 -3.175 -9.790 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.163 -4.021 -8.788 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.761 -2.237 -6.294 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.363 -2.692 -6.922 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.946 -0.975 -6.706 1.00 0.00 H new ATOM 1162 N ARG A 78 5.750 -2.297 -11.662 1.00 0.00 N ATOM 1163 CA ARG A 78 5.344 -2.189 -13.051 1.00 0.00 C ATOM 1164 C ARG A 78 4.683 -3.488 -13.516 1.00 0.00 C ATOM 1165 O ARG A 78 5.366 -4.471 -13.803 1.00 0.00 O ATOM 1166 CB ARG A 78 6.568 -1.862 -13.917 1.00 0.00 C ATOM 1167 CG ARG A 78 6.328 -1.956 -15.423 1.00 0.00 C ATOM 1168 CD ARG A 78 7.588 -1.602 -16.205 1.00 0.00 C ATOM 1169 NE ARG A 78 8.756 -2.358 -15.737 1.00 0.00 N ATOM 1170 CZ ARG A 78 9.946 -1.814 -15.459 1.00 0.00 C ATOM 1171 NH1 ARG A 78 10.157 -0.512 -15.646 1.00 0.00 N ATOM 1172 NH2 ARG A 78 10.927 -2.577 -14.998 1.00 0.00 N ATOM 0 H ARG A 78 6.212 -3.175 -11.426 1.00 0.00 H new ATOM 0 HA ARG A 78 4.614 -1.386 -13.152 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.906 -0.853 -13.679 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.378 -2.541 -13.649 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.009 -2.966 -15.681 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.519 -1.283 -15.708 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.426 -1.804 -17.264 1.00 0.00 H new ATOM 0 HD3 ARG A 78 7.785 -0.534 -16.110 1.00 0.00 H new ATOM 0 HE ARG A 78 8.653 -3.366 -15.616 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.407 0.080 -16.004 1.00 0.00 H new ATOM 0 HH12 ARG A 78 11.068 -0.107 -15.431 1.00 0.00 H new ATOM 0 HH21 ARG A 78 10.773 -3.575 -14.856 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.836 -2.166 -14.785 1.00 0.00 H new ATOM 1186 N LYS A 79 3.347 -3.489 -13.547 1.00 0.00 N ATOM 1187 CA LYS A 79 2.548 -4.642 -14.000 1.00 0.00 C ATOM 1188 C LYS A 79 2.564 -5.805 -12.999 1.00 0.00 C ATOM 1189 O LYS A 79 1.590 -6.553 -12.899 1.00 0.00 O ATOM 1190 CB LYS A 79 3.004 -5.126 -15.388 1.00 0.00 C ATOM 1191 CG LYS A 79 2.518 -4.255 -16.546 1.00 0.00 C ATOM 1192 CD LYS A 79 1.000 -4.345 -16.719 1.00 0.00 C ATOM 1193 CE LYS A 79 0.523 -3.611 -17.966 1.00 0.00 C ATOM 1194 NZ LYS A 79 -0.924 -3.837 -18.220 1.00 0.00 N ATOM 0 H LYS A 79 2.783 -2.690 -13.259 1.00 0.00 H new ATOM 0 HA LYS A 79 1.519 -4.290 -14.070 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.093 -5.163 -15.408 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.648 -6.145 -15.540 1.00 0.00 H new ATOM 0 HG2 LYS A 79 2.804 -3.218 -16.367 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.009 -4.567 -17.468 1.00 0.00 H new ATOM 0 HD2 LYS A 79 0.703 -5.392 -16.779 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.510 -3.925 -15.841 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.710 -2.543 -17.853 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.100 -3.946 -18.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.185 -3.421 -19.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.118 -4.859 -18.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -1.483 -3.389 -17.466 1.00 0.00 H new ATOM 1208 N ASP A 80 3.650 -5.947 -12.244 1.00 0.00 N ATOM 1209 CA ASP A 80 3.801 -7.057 -11.301 1.00 0.00 C ATOM 1210 C ASP A 80 3.211 -6.694 -9.938 1.00 0.00 C ATOM 1211 O ASP A 80 3.562 -7.289 -8.915 1.00 0.00 O ATOM 1212 CB ASP A 80 5.288 -7.429 -11.163 1.00 0.00 C ATOM 1213 CG ASP A 80 6.120 -6.352 -10.472 1.00 0.00 C ATOM 1214 OD1 ASP A 80 6.100 -5.185 -10.932 1.00 0.00 O ATOM 1215 OD2 ASP A 80 6.819 -6.677 -9.485 1.00 0.00 O ATOM 0 H ASP A 80 4.443 -5.306 -12.266 1.00 0.00 H new ATOM 0 HA ASP A 80 3.256 -7.918 -11.686 1.00 0.00 H new ATOM 0 HB2 ASP A 80 5.372 -8.359 -10.601 1.00 0.00 H new ATOM 0 HB3 ASP A 80 5.701 -7.617 -12.154 1.00 0.00 H new ATOM 1220 N LEU A 81 2.290 -5.735 -9.938 1.00 0.00 N ATOM 1221 CA LEU A 81 1.647 -5.268 -8.712 1.00 0.00 C ATOM 1222 C LEU A 81 0.693 -6.339 -8.187 1.00 0.00 C ATOM 1223 O LEU A 81 -0.481 -6.377 -8.564 1.00 0.00 O ATOM 1224 CB LEU A 81 0.893 -3.948 -8.978 1.00 0.00 C ATOM 1225 CG LEU A 81 0.858 -2.935 -7.814 1.00 0.00 C ATOM 1226 CD1 LEU A 81 0.050 -1.697 -8.198 1.00 0.00 C ATOM 1227 CD2 LEU A 81 0.300 -3.566 -6.544 1.00 0.00 C ATOM 0 H LEU A 81 1.969 -5.261 -10.782 1.00 0.00 H new ATOM 0 HA LEU A 81 2.409 -5.081 -7.956 1.00 0.00 H new ATOM 0 HB2 LEU A 81 1.348 -3.462 -9.841 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.134 -4.190 -9.253 1.00 0.00 H new ATOM 0 HG LEU A 81 1.884 -2.629 -7.611 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.039 -0.997 -7.363 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.506 -1.220 -9.066 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.972 -1.990 -8.440 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.289 -2.826 -5.744 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.716 -3.916 -6.728 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.927 -4.408 -6.250 1.00 0.00 H new ATOM 1239 N VAL A 82 1.209 -7.227 -7.343 1.00 0.00 N ATOM 1240 CA VAL A 82 0.403 -8.297 -6.765 1.00 0.00 C ATOM 1241 C VAL A 82 0.445 -8.237 -5.239 1.00 0.00 C ATOM 1242 O VAL A 82 1.416 -8.661 -4.612 1.00 0.00 O ATOM 1243 CB VAL A 82 0.874 -9.697 -7.239 1.00 0.00 C ATOM 1244 CG1 VAL A 82 -0.023 -10.795 -6.671 1.00 0.00 C ATOM 1245 CG2 VAL A 82 0.922 -9.767 -8.765 1.00 0.00 C ATOM 0 H VAL A 82 2.184 -7.227 -7.044 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.620 -8.147 -7.109 1.00 0.00 H new ATOM 0 HB VAL A 82 1.884 -9.859 -6.862 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.328 -11.767 -7.018 1.00 0.00 H new ATOM 0 HG12 VAL A 82 0.010 -10.765 -5.582 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -1.048 -10.638 -7.007 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.255 -10.758 -9.073 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -0.072 -9.576 -9.169 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.617 -9.017 -9.142 1.00 0.00 H new ATOM 1255 N TYR A 83 -0.605 -7.670 -4.657 1.00 0.00 N ATOM 1256 CA TYR A 83 -0.759 -7.617 -3.208 1.00 0.00 C ATOM 1257 C TYR A 83 -1.443 -8.883 -2.697 1.00 0.00 C ATOM 1258 O TYR A 83 -2.598 -9.156 -3.037 1.00 0.00 O ATOM 1259 CB TYR A 83 -1.578 -6.380 -2.798 1.00 0.00 C ATOM 1260 CG TYR A 83 -0.750 -5.148 -2.477 1.00 0.00 C ATOM 1261 CD1 TYR A 83 0.155 -4.626 -3.392 1.00 0.00 C ATOM 1262 CD2 TYR A 83 -0.884 -4.503 -1.251 1.00 0.00 C ATOM 1263 CE1 TYR A 83 0.902 -3.499 -3.092 1.00 0.00 C ATOM 1264 CE2 TYR A 83 -0.145 -3.380 -0.947 1.00 0.00 C ATOM 1265 CZ TYR A 83 0.746 -2.880 -1.870 1.00 0.00 C ATOM 1266 OH TYR A 83 1.485 -1.758 -1.570 1.00 0.00 O ATOM 0 H TYR A 83 -1.370 -7.236 -5.173 1.00 0.00 H new ATOM 0 HA TYR A 83 0.233 -7.547 -2.762 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -2.270 -6.136 -3.604 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -2.181 -6.633 -1.926 1.00 0.00 H new ATOM 0 HD1 TYR A 83 0.278 -5.106 -4.352 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -1.581 -4.890 -0.523 1.00 0.00 H new ATOM 0 HE1 TYR A 83 1.604 -3.107 -3.813 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -0.264 -2.895 0.010 1.00 0.00 H new ATOM 0 HH TYR A 83 2.184 -1.990 -0.923 1.00 0.00 H new ATOM 1276 N THR A 84 -0.719 -9.659 -1.904 1.00 0.00 N ATOM 1277 CA THR A 84 -1.279 -10.818 -1.231 1.00 0.00 C ATOM 1278 C THR A 84 -1.635 -10.459 0.214 1.00 0.00 C ATOM 1279 O THR A 84 -0.771 -10.046 0.991 1.00 0.00 O ATOM 1280 CB THR A 84 -0.287 -12.003 -1.226 1.00 0.00 C ATOM 1281 OG1 THR A 84 0.167 -12.282 -2.560 1.00 0.00 O ATOM 1282 CG2 THR A 84 -0.931 -13.252 -0.636 1.00 0.00 C ATOM 0 H THR A 84 0.270 -9.502 -1.710 1.00 0.00 H new ATOM 0 HA THR A 84 -2.174 -11.117 -1.776 1.00 0.00 H new ATOM 0 HB THR A 84 0.564 -11.722 -0.606 1.00 0.00 H new ATOM 0 HG1 THR A 84 0.796 -13.033 -2.541 1.00 0.00 H new ATOM 0 HG21 THR A 84 -0.212 -14.071 -0.644 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.241 -13.052 0.390 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.802 -13.528 -1.231 1.00 0.00 H new ATOM 1290 N LYS A 85 -2.907 -10.586 0.566 1.00 0.00 N ATOM 1291 CA LYS A 85 -3.351 -10.343 1.931 1.00 0.00 C ATOM 1292 C LYS A 85 -3.200 -11.622 2.752 1.00 0.00 C ATOM 1293 O LYS A 85 -3.984 -12.563 2.604 1.00 0.00 O ATOM 1294 CB LYS A 85 -4.811 -9.857 1.938 1.00 0.00 C ATOM 1295 CG LYS A 85 -5.396 -9.647 3.336 1.00 0.00 C ATOM 1296 CD LYS A 85 -6.858 -9.200 3.282 1.00 0.00 C ATOM 1297 CE LYS A 85 -7.013 -7.785 2.731 1.00 0.00 C ATOM 1298 NZ LYS A 85 -6.516 -6.754 3.685 1.00 0.00 N ATOM 0 H LYS A 85 -3.651 -10.857 -0.077 1.00 0.00 H new ATOM 0 HA LYS A 85 -2.734 -9.564 2.379 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.872 -8.919 1.386 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.426 -10.582 1.404 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.321 -10.574 3.904 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -4.807 -8.899 3.867 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.424 -9.893 2.660 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.287 -9.246 4.283 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.468 -7.701 1.791 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -8.063 -7.596 2.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -7.209 -5.982 3.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.383 -7.184 4.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.609 -6.376 3.346 1.00 0.00 H new ATOM 1312 N ALA A 86 -2.170 -11.667 3.595 1.00 0.00 N ATOM 1313 CA ALA A 86 -1.902 -12.846 4.420 1.00 0.00 C ATOM 1314 C ALA A 86 -2.771 -12.822 5.672 1.00 0.00 C ATOM 1315 O ALA A 86 -2.983 -13.851 6.320 1.00 0.00 O ATOM 1316 CB ALA A 86 -0.425 -12.909 4.794 1.00 0.00 C ATOM 0 H ALA A 86 -1.508 -10.902 3.725 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.148 -13.738 3.844 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.242 -13.791 5.407 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.178 -12.966 3.888 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.153 -12.015 5.355 1.00 0.00 H new ATOM 1322 N ASN A 87 -3.258 -11.633 5.998 1.00 0.00 N ATOM 1323 CA ASN A 87 -4.130 -11.411 7.144 1.00 0.00 C ATOM 1324 C ASN A 87 -4.942 -10.140 6.897 1.00 0.00 C ATOM 1325 O ASN A 87 -4.432 -9.210 6.273 1.00 0.00 O ATOM 1326 CB ASN A 87 -3.289 -11.283 8.427 1.00 0.00 C ATOM 1327 CG ASN A 87 -4.079 -10.754 9.614 1.00 0.00 C ATOM 1328 OD1 ASN A 87 -4.163 -9.542 9.828 1.00 0.00 O ATOM 1329 ND2 ASN A 87 -4.670 -11.649 10.390 1.00 0.00 N ATOM 0 H ASN A 87 -3.057 -10.785 5.468 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.809 -12.254 7.271 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -2.875 -12.259 8.681 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -2.446 -10.619 8.236 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -5.217 -11.344 11.195 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -4.579 -12.643 10.182 1.00 0.00 H new ATOM 1336 N PRO A 88 -6.216 -10.091 7.348 1.00 0.00 N ATOM 1337 CA PRO A 88 -7.087 -8.920 7.183 1.00 0.00 C ATOM 1338 C PRO A 88 -6.342 -7.581 7.260 1.00 0.00 C ATOM 1339 O PRO A 88 -6.471 -6.741 6.365 1.00 0.00 O ATOM 1340 CB PRO A 88 -8.057 -9.075 8.354 1.00 0.00 C ATOM 1341 CG PRO A 88 -8.231 -10.553 8.492 1.00 0.00 C ATOM 1342 CD PRO A 88 -6.934 -11.190 8.034 1.00 0.00 C ATOM 0 HA PRO A 88 -7.557 -8.893 6.200 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.654 -8.634 9.266 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -9.007 -8.579 8.153 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -8.450 -10.822 9.525 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.068 -10.902 7.887 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -6.360 -11.577 8.876 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -7.117 -12.028 7.361 1.00 0.00 H new ATOM 1350 N THR A 89 -5.542 -7.400 8.311 1.00 0.00 N ATOM 1351 CA THR A 89 -4.831 -6.142 8.532 1.00 0.00 C ATOM 1352 C THR A 89 -3.350 -6.237 8.137 1.00 0.00 C ATOM 1353 O THR A 89 -2.609 -5.257 8.244 1.00 0.00 O ATOM 1354 CB THR A 89 -4.954 -5.690 10.006 1.00 0.00 C ATOM 1355 OG1 THR A 89 -4.655 -6.790 10.876 1.00 0.00 O ATOM 1356 CG2 THR A 89 -6.356 -5.164 10.307 1.00 0.00 C ATOM 0 H THR A 89 -5.370 -8.110 9.023 1.00 0.00 H new ATOM 0 HA THR A 89 -5.301 -5.398 7.889 1.00 0.00 H new ATOM 0 HB THR A 89 -4.242 -4.882 10.175 1.00 0.00 H new ATOM 0 HG1 THR A 89 -4.732 -6.500 11.809 1.00 0.00 H new ATOM 0 HG21 THR A 89 -6.412 -4.854 11.350 1.00 0.00 H new ATOM 0 HG22 THR A 89 -6.571 -4.311 9.663 1.00 0.00 H new ATOM 0 HG23 THR A 89 -7.087 -5.951 10.123 1.00 0.00 H new ATOM 1364 N PHE A 90 -2.924 -7.412 7.678 1.00 0.00 N ATOM 1365 CA PHE A 90 -1.552 -7.608 7.208 1.00 0.00 C ATOM 1366 C PHE A 90 -1.551 -7.940 5.714 1.00 0.00 C ATOM 1367 O PHE A 90 -1.810 -9.081 5.306 1.00 0.00 O ATOM 1368 CB PHE A 90 -0.842 -8.714 8.010 1.00 0.00 C ATOM 1369 CG PHE A 90 0.598 -8.948 7.597 1.00 0.00 C ATOM 1370 CD1 PHE A 90 0.909 -9.856 6.590 1.00 0.00 C ATOM 1371 CD2 PHE A 90 1.638 -8.259 8.210 1.00 0.00 C ATOM 1372 CE1 PHE A 90 2.219 -10.070 6.208 1.00 0.00 C ATOM 1373 CE2 PHE A 90 2.949 -8.472 7.827 1.00 0.00 C ATOM 1374 CZ PHE A 90 3.238 -9.377 6.825 1.00 0.00 C ATOM 0 H PHE A 90 -3.510 -8.245 7.621 1.00 0.00 H new ATOM 0 HA PHE A 90 -1.001 -6.680 7.363 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.868 -8.455 9.068 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -1.398 -9.645 7.896 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.115 -10.401 6.100 1.00 0.00 H new ATOM 0 HD2 PHE A 90 1.419 -7.549 8.994 1.00 0.00 H new ATOM 0 HE1 PHE A 90 2.445 -10.780 5.426 1.00 0.00 H new ATOM 0 HE2 PHE A 90 3.748 -7.930 8.312 1.00 0.00 H new ATOM 0 HZ PHE A 90 4.262 -9.542 6.525 1.00 0.00 H new ATOM 1384 N HIS A 91 -1.281 -6.926 4.906 1.00 0.00 N ATOM 1385 CA HIS A 91 -1.187 -7.080 3.459 1.00 0.00 C ATOM 1386 C HIS A 91 0.294 -7.081 3.078 1.00 0.00 C ATOM 1387 O HIS A 91 1.098 -6.468 3.772 1.00 0.00 O ATOM 1388 CB HIS A 91 -1.926 -5.914 2.770 1.00 0.00 C ATOM 1389 CG HIS A 91 -2.674 -6.293 1.526 1.00 0.00 C ATOM 1390 ND1 HIS A 91 -3.897 -5.763 1.176 1.00 0.00 N ATOM 1391 CD2 HIS A 91 -2.353 -7.164 0.537 1.00 0.00 C ATOM 1392 CE1 HIS A 91 -4.273 -6.317 0.021 1.00 0.00 C ATOM 1393 NE2 HIS A 91 -3.373 -7.175 -0.411 1.00 0.00 N ATOM 0 H HIS A 91 -1.121 -5.973 5.233 1.00 0.00 H new ATOM 0 HA HIS A 91 -1.648 -8.014 3.137 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -2.628 -5.476 3.480 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -1.201 -5.140 2.520 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -4.423 -5.069 1.707 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -1.450 -7.755 0.492 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -5.196 -6.091 -0.492 1.00 0.00 H new ATOM 1401 N HIS A 92 0.667 -7.777 2.010 1.00 0.00 N ATOM 1402 CA HIS A 92 2.059 -7.763 1.553 1.00 0.00 C ATOM 1403 C HIS A 92 2.133 -7.954 0.047 1.00 0.00 C ATOM 1404 O HIS A 92 1.192 -8.445 -0.570 1.00 0.00 O ATOM 1405 CB HIS A 92 2.897 -8.841 2.271 1.00 0.00 C ATOM 1406 CG HIS A 92 2.569 -10.255 1.887 1.00 0.00 C ATOM 1407 ND1 HIS A 92 3.184 -10.929 0.853 1.00 0.00 N ATOM 1408 CD2 HIS A 92 1.696 -11.135 2.440 1.00 0.00 C ATOM 1409 CE1 HIS A 92 2.679 -12.167 0.810 1.00 0.00 C ATOM 1410 NE2 HIS A 92 1.771 -12.345 1.753 1.00 0.00 N ATOM 0 H HIS A 92 0.038 -8.351 1.449 1.00 0.00 H new ATOM 0 HA HIS A 92 2.478 -6.788 1.803 1.00 0.00 H new ATOM 0 HB2 HIS A 92 3.951 -8.659 2.064 1.00 0.00 H new ATOM 0 HB3 HIS A 92 2.760 -8.731 3.347 1.00 0.00 H new ATOM 0 HD2 HIS A 92 1.047 -10.930 3.279 1.00 0.00 H new ATOM 0 HE1 HIS A 92 2.975 -12.923 0.097 1.00 0.00 H new ATOM 0 HE2 HIS A 92 1.236 -13.193 1.940 1.00 0.00 H new ATOM 1418 N TRP A 93 3.252 -7.552 -0.543 1.00 0.00 N ATOM 1419 CA TRP A 93 3.471 -7.701 -1.975 1.00 0.00 C ATOM 1420 C TRP A 93 4.893 -8.185 -2.237 1.00 0.00 C ATOM 1421 O TRP A 93 5.819 -7.853 -1.493 1.00 0.00 O ATOM 1422 CB TRP A 93 3.200 -6.376 -2.709 1.00 0.00 C ATOM 1423 CG TRP A 93 4.141 -5.255 -2.353 1.00 0.00 C ATOM 1424 CD1 TRP A 93 5.215 -4.826 -3.079 1.00 0.00 C ATOM 1425 CD2 TRP A 93 4.088 -4.415 -1.191 1.00 0.00 C ATOM 1426 NE1 TRP A 93 5.827 -3.773 -2.447 1.00 0.00 N ATOM 1427 CE2 TRP A 93 5.157 -3.503 -1.285 1.00 0.00 C ATOM 1428 CE3 TRP A 93 3.243 -4.345 -0.082 1.00 0.00 C ATOM 1429 CZ2 TRP A 93 5.399 -2.533 -0.314 1.00 0.00 C ATOM 1430 CZ3 TRP A 93 3.487 -3.384 0.881 1.00 0.00 C ATOM 1431 CH2 TRP A 93 4.555 -2.489 0.758 1.00 0.00 C ATOM 0 H TRP A 93 4.028 -7.116 -0.045 1.00 0.00 H new ATOM 0 HA TRP A 93 2.773 -8.445 -2.360 1.00 0.00 H new ATOM 0 HB2 TRP A 93 3.257 -6.553 -3.783 1.00 0.00 H new ATOM 0 HB3 TRP A 93 2.180 -6.058 -2.492 1.00 0.00 H new ATOM 0 HD1 TRP A 93 5.537 -5.254 -4.017 1.00 0.00 H new ATOM 0 HE1 TRP A 93 6.648 -3.273 -2.788 1.00 0.00 H new ATOM 0 HE3 TRP A 93 2.414 -5.029 0.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 6.224 -1.842 -0.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 2.841 -3.323 1.744 1.00 0.00 H new ATOM 0 HH2 TRP A 93 4.715 -1.748 1.527 1.00 0.00 H new ATOM 1442 N LYS A 94 5.053 -8.982 -3.282 1.00 0.00 N ATOM 1443 CA LYS A 94 6.349 -9.543 -3.637 1.00 0.00 C ATOM 1444 C LYS A 94 6.823 -8.998 -4.983 1.00 0.00 C ATOM 1445 O LYS A 94 6.379 -9.455 -6.037 1.00 0.00 O ATOM 1446 CB LYS A 94 6.253 -11.076 -3.689 1.00 0.00 C ATOM 1447 CG LYS A 94 7.519 -11.775 -4.177 1.00 0.00 C ATOM 1448 CD LYS A 94 7.346 -13.295 -4.255 1.00 0.00 C ATOM 1449 CE LYS A 94 6.403 -13.734 -5.382 1.00 0.00 C ATOM 1450 NZ LYS A 94 4.988 -13.326 -5.155 1.00 0.00 N ATOM 0 H LYS A 94 4.294 -9.257 -3.905 1.00 0.00 H new ATOM 0 HA LYS A 94 7.076 -9.254 -2.878 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.010 -11.446 -2.693 1.00 0.00 H new ATOM 0 HB3 LYS A 94 5.426 -11.353 -4.342 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.788 -11.391 -5.161 1.00 0.00 H new ATOM 0 HG3 LYS A 94 8.344 -11.539 -3.506 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.321 -13.759 -4.403 1.00 0.00 H new ATOM 0 HD3 LYS A 94 6.961 -13.661 -3.303 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.750 -13.309 -6.324 1.00 0.00 H new ATOM 0 HE3 LYS A 94 6.450 -14.818 -5.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 4.351 -14.059 -5.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.820 -13.207 -4.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 4.803 -12.427 -5.644 1.00 0.00 H new ATOM 1464 N VAL A 95 7.704 -8.006 -4.942 1.00 0.00 N ATOM 1465 CA VAL A 95 8.295 -7.460 -6.157 1.00 0.00 C ATOM 1466 C VAL A 95 9.507 -8.298 -6.560 1.00 0.00 C ATOM 1467 O VAL A 95 10.514 -8.349 -5.843 1.00 0.00 O ATOM 1468 CB VAL A 95 8.689 -5.966 -6.006 1.00 0.00 C ATOM 1469 CG1 VAL A 95 7.437 -5.097 -5.900 1.00 0.00 C ATOM 1470 CG2 VAL A 95 9.599 -5.750 -4.796 1.00 0.00 C ATOM 0 H VAL A 95 8.025 -7.563 -4.081 1.00 0.00 H new ATOM 0 HA VAL A 95 7.540 -7.506 -6.942 1.00 0.00 H new ATOM 0 HB VAL A 95 9.246 -5.672 -6.895 1.00 0.00 H new ATOM 0 HG11 VAL A 95 7.727 -4.052 -5.795 1.00 0.00 H new ATOM 0 HG12 VAL A 95 6.834 -5.217 -6.800 1.00 0.00 H new ATOM 0 HG13 VAL A 95 6.855 -5.401 -5.030 1.00 0.00 H new ATOM 0 HG21 VAL A 95 9.857 -4.694 -4.718 1.00 0.00 H new ATOM 0 HG22 VAL A 95 9.081 -6.065 -3.890 1.00 0.00 H new ATOM 0 HG23 VAL A 95 10.509 -6.338 -4.916 1.00 0.00 H new ATOM 1480 N ASP A 96 9.381 -8.974 -7.698 1.00 0.00 N ATOM 1481 CA ASP A 96 10.383 -9.924 -8.166 1.00 0.00 C ATOM 1482 C ASP A 96 10.617 -11.011 -7.118 1.00 0.00 C ATOM 1483 O ASP A 96 9.953 -12.052 -7.138 1.00 0.00 O ATOM 1484 CB ASP A 96 11.701 -9.219 -8.538 1.00 0.00 C ATOM 1485 CG ASP A 96 11.587 -8.414 -9.824 1.00 0.00 C ATOM 1486 OD1 ASP A 96 11.104 -7.262 -9.777 1.00 0.00 O ATOM 1487 OD2 ASP A 96 11.978 -8.937 -10.890 1.00 0.00 O ATOM 0 H ASP A 96 8.580 -8.878 -8.322 1.00 0.00 H new ATOM 0 HA ASP A 96 10.002 -10.395 -9.072 1.00 0.00 H new ATOM 0 HB2 ASP A 96 11.998 -8.558 -7.724 1.00 0.00 H new ATOM 0 HB3 ASP A 96 12.489 -9.964 -8.648 1.00 0.00 H new ATOM 1492 N ASN A 97 11.523 -10.745 -6.176 1.00 0.00 N ATOM 1493 CA ASN A 97 11.877 -11.719 -5.138 1.00 0.00 C ATOM 1494 C ASN A 97 11.732 -11.121 -3.736 1.00 0.00 C ATOM 1495 O ASN A 97 11.686 -11.857 -2.750 1.00 0.00 O ATOM 1496 CB ASN A 97 13.320 -12.228 -5.335 1.00 0.00 C ATOM 1497 CG ASN A 97 13.486 -13.161 -6.529 1.00 0.00 C ATOM 1498 OD1 ASN A 97 12.774 -13.058 -7.527 1.00 0.00 O ATOM 1499 ND2 ASN A 97 14.434 -14.082 -6.431 1.00 0.00 N ATOM 0 H ASN A 97 12.027 -9.861 -6.109 1.00 0.00 H new ATOM 0 HA ASN A 97 11.185 -12.556 -5.231 1.00 0.00 H new ATOM 0 HB2 ASN A 97 13.983 -11.372 -5.460 1.00 0.00 H new ATOM 0 HB3 ASN A 97 13.638 -12.749 -4.432 1.00 0.00 H new ATOM 0 HD21 ASN A 97 14.592 -14.735 -7.199 1.00 0.00 H new ATOM 0 HD22 ASN A 97 15.006 -14.138 -5.588 1.00 0.00 H new ATOM 1506 N ARG A 98 11.660 -9.790 -3.640 1.00 0.00 N ATOM 1507 CA ARG A 98 11.577 -9.118 -2.342 1.00 0.00 C ATOM 1508 C ARG A 98 10.125 -9.008 -1.878 1.00 0.00 C ATOM 1509 O ARG A 98 9.241 -8.637 -2.652 1.00 0.00 O ATOM 1510 CB ARG A 98 12.221 -7.719 -2.409 1.00 0.00 C ATOM 1511 CG ARG A 98 13.692 -7.659 -1.976 1.00 0.00 C ATOM 1512 CD ARG A 98 14.619 -8.503 -2.851 1.00 0.00 C ATOM 1513 NE ARG A 98 14.571 -9.933 -2.518 1.00 0.00 N ATOM 1514 CZ ARG A 98 15.408 -10.847 -3.014 1.00 0.00 C ATOM 1515 NH1 ARG A 98 16.391 -10.491 -3.831 1.00 0.00 N ATOM 1516 NH2 ARG A 98 15.274 -12.120 -2.667 1.00 0.00 N ATOM 0 H ARG A 98 11.658 -9.160 -4.442 1.00 0.00 H new ATOM 0 HA ARG A 98 12.127 -9.719 -1.618 1.00 0.00 H new ATOM 0 HB2 ARG A 98 12.144 -7.349 -3.431 1.00 0.00 H new ATOM 0 HB3 ARG A 98 11.645 -7.040 -1.780 1.00 0.00 H new ATOM 0 HG2 ARG A 98 14.028 -6.622 -1.999 1.00 0.00 H new ATOM 0 HG3 ARG A 98 13.773 -7.997 -0.943 1.00 0.00 H new ATOM 0 HD2 ARG A 98 14.345 -8.369 -3.897 1.00 0.00 H new ATOM 0 HD3 ARG A 98 15.642 -8.143 -2.741 1.00 0.00 H new ATOM 0 HE ARG A 98 13.852 -10.248 -1.866 1.00 0.00 H new ATOM 0 HH11 ARG A 98 16.513 -9.511 -4.086 1.00 0.00 H new ATOM 0 HH12 ARG A 98 17.025 -11.197 -4.204 1.00 0.00 H new ATOM 0 HH21 ARG A 98 14.533 -12.398 -2.023 1.00 0.00 H new ATOM 0 HH22 ARG A 98 15.912 -12.821 -3.044 1.00 0.00 H new ATOM 1530 N LYS A 99 9.893 -9.337 -0.609 1.00 0.00 N ATOM 1531 CA LYS A 99 8.558 -9.281 -0.015 1.00 0.00 C ATOM 1532 C LYS A 99 8.483 -8.142 0.993 1.00 0.00 C ATOM 1533 O LYS A 99 9.274 -8.093 1.935 1.00 0.00 O ATOM 1534 CB LYS A 99 8.203 -10.608 0.687 1.00 0.00 C ATOM 1535 CG LYS A 99 7.927 -11.779 -0.255 1.00 0.00 C ATOM 1536 CD LYS A 99 9.190 -12.302 -0.943 1.00 0.00 C ATOM 1537 CE LYS A 99 10.171 -12.931 0.044 1.00 0.00 C ATOM 1538 NZ LYS A 99 11.365 -13.491 -0.645 1.00 0.00 N ATOM 0 H LYS A 99 10.621 -9.649 0.034 1.00 0.00 H new ATOM 0 HA LYS A 99 7.842 -9.111 -0.819 1.00 0.00 H new ATOM 0 HB2 LYS A 99 9.022 -10.881 1.352 1.00 0.00 H new ATOM 0 HB3 LYS A 99 7.324 -10.448 1.312 1.00 0.00 H new ATOM 0 HG2 LYS A 99 7.464 -12.590 0.308 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.209 -11.467 -1.014 1.00 0.00 H new ATOM 0 HD2 LYS A 99 8.912 -13.040 -1.695 1.00 0.00 H new ATOM 0 HD3 LYS A 99 9.681 -11.482 -1.467 1.00 0.00 H new ATOM 0 HE2 LYS A 99 10.488 -12.181 0.769 1.00 0.00 H new ATOM 0 HE3 LYS A 99 9.669 -13.722 0.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 12.023 -13.879 0.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 11.068 -14.247 -1.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 11.839 -12.739 -1.184 1.00 0.00 H new ATOM 1552 N PHE A 100 7.537 -7.233 0.787 1.00 0.00 N ATOM 1553 CA PHE A 100 7.302 -6.135 1.720 1.00 0.00 C ATOM 1554 C PHE A 100 5.858 -6.189 2.210 1.00 0.00 C ATOM 1555 O PHE A 100 4.952 -6.506 1.437 1.00 0.00 O ATOM 1556 CB PHE A 100 7.582 -4.783 1.052 1.00 0.00 C ATOM 1557 CG PHE A 100 8.927 -4.698 0.374 1.00 0.00 C ATOM 1558 CD1 PHE A 100 10.101 -4.734 1.112 1.00 0.00 C ATOM 1559 CD2 PHE A 100 9.014 -4.576 -1.007 1.00 0.00 C ATOM 1560 CE1 PHE A 100 11.332 -4.651 0.488 1.00 0.00 C ATOM 1561 CE2 PHE A 100 10.240 -4.494 -1.634 1.00 0.00 C ATOM 1562 CZ PHE A 100 11.402 -4.530 -0.888 1.00 0.00 C ATOM 0 H PHE A 100 6.916 -7.234 -0.023 1.00 0.00 H new ATOM 0 HA PHE A 100 7.980 -6.241 2.567 1.00 0.00 H new ATOM 0 HB2 PHE A 100 6.803 -4.585 0.316 1.00 0.00 H new ATOM 0 HB3 PHE A 100 7.516 -3.997 1.805 1.00 0.00 H new ATOM 0 HD1 PHE A 100 10.053 -4.828 2.187 1.00 0.00 H new ATOM 0 HD2 PHE A 100 8.110 -4.545 -1.597 1.00 0.00 H new ATOM 0 HE1 PHE A 100 12.238 -4.681 1.075 1.00 0.00 H new ATOM 0 HE2 PHE A 100 10.291 -4.402 -2.709 1.00 0.00 H new ATOM 0 HZ PHE A 100 12.362 -4.464 -1.378 1.00 0.00 H new ATOM 1572 N GLY A 101 5.647 -5.888 3.485 1.00 0.00 N ATOM 1573 CA GLY A 101 4.328 -6.018 4.086 1.00 0.00 C ATOM 1574 C GLY A 101 3.754 -4.697 4.560 1.00 0.00 C ATOM 1575 O GLY A 101 4.382 -3.976 5.339 1.00 0.00 O ATOM 0 H GLY A 101 6.371 -5.553 4.121 1.00 0.00 H new ATOM 0 HA2 GLY A 101 3.647 -6.463 3.360 1.00 0.00 H new ATOM 0 HA3 GLY A 101 4.387 -6.705 4.930 1.00 0.00 H new ATOM 1579 N LEU A 102 2.554 -4.382 4.086 1.00 0.00 N ATOM 1580 CA LEU A 102 1.826 -3.195 4.514 1.00 0.00 C ATOM 1581 C LEU A 102 0.874 -3.574 5.652 1.00 0.00 C ATOM 1582 O LEU A 102 -0.158 -4.212 5.425 1.00 0.00 O ATOM 1583 CB LEU A 102 1.038 -2.597 3.329 1.00 0.00 C ATOM 1584 CG LEU A 102 0.780 -1.078 3.382 1.00 0.00 C ATOM 1585 CD1 LEU A 102 -0.068 -0.687 4.592 1.00 0.00 C ATOM 1586 CD2 LEU A 102 2.104 -0.317 3.381 1.00 0.00 C ATOM 0 H LEU A 102 2.059 -4.944 3.393 1.00 0.00 H new ATOM 0 HA LEU A 102 2.531 -2.443 4.869 1.00 0.00 H new ATOM 0 HB2 LEU A 102 1.579 -2.821 2.410 1.00 0.00 H new ATOM 0 HB3 LEU A 102 0.076 -3.106 3.265 1.00 0.00 H new ATOM 0 HG LEU A 102 0.215 -0.806 2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -0.227 0.391 4.592 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.031 -1.195 4.541 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.448 -0.978 5.507 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.908 0.755 3.419 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.692 -0.609 4.251 1.00 0.00 H new ATOM 0 HD23 LEU A 102 2.658 -0.553 2.473 1.00 0.00 H new ATOM 1598 N THR A 103 1.243 -3.212 6.871 1.00 0.00 N ATOM 1599 CA THR A 103 0.402 -3.456 8.034 1.00 0.00 C ATOM 1600 C THR A 103 -0.484 -2.239 8.297 1.00 0.00 C ATOM 1601 O THR A 103 0.014 -1.132 8.525 1.00 0.00 O ATOM 1602 CB THR A 103 1.259 -3.770 9.280 1.00 0.00 C ATOM 1603 OG1 THR A 103 2.160 -4.843 8.978 1.00 0.00 O ATOM 1604 CG2 THR A 103 0.387 -4.151 10.477 1.00 0.00 C ATOM 0 H THR A 103 2.125 -2.745 7.082 1.00 0.00 H new ATOM 0 HA THR A 103 -0.227 -4.322 7.829 1.00 0.00 H new ATOM 0 HB THR A 103 1.819 -2.873 9.545 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.591 -5.150 9.803 1.00 0.00 H new ATOM 0 HG21 THR A 103 1.022 -4.366 11.336 1.00 0.00 H new ATOM 0 HG22 THR A 103 -0.282 -3.325 10.718 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.202 -5.035 10.232 1.00 0.00 H new ATOM 1612 N PHE A 104 -1.795 -2.453 8.244 1.00 0.00 N ATOM 1613 CA PHE A 104 -2.766 -1.369 8.368 1.00 0.00 C ATOM 1614 C PHE A 104 -2.867 -0.872 9.809 1.00 0.00 C ATOM 1615 O PHE A 104 -2.705 -1.643 10.763 1.00 0.00 O ATOM 1616 CB PHE A 104 -4.138 -1.830 7.864 1.00 0.00 C ATOM 1617 CG PHE A 104 -4.126 -2.295 6.427 1.00 0.00 C ATOM 1618 CD1 PHE A 104 -3.663 -1.461 5.419 1.00 0.00 C ATOM 1619 CD2 PHE A 104 -4.573 -3.563 6.084 1.00 0.00 C ATOM 1620 CE1 PHE A 104 -3.646 -1.883 4.105 1.00 0.00 C ATOM 1621 CE2 PHE A 104 -4.557 -3.988 4.769 1.00 0.00 C ATOM 1622 CZ PHE A 104 -4.092 -3.146 3.778 1.00 0.00 C ATOM 0 H PHE A 104 -2.213 -3.375 8.115 1.00 0.00 H new ATOM 0 HA PHE A 104 -2.422 -0.537 7.754 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -4.495 -2.642 8.497 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -4.848 -1.010 7.966 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -3.312 -0.470 5.666 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -4.938 -4.226 6.854 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -3.283 -1.223 3.331 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -4.908 -4.978 4.517 1.00 0.00 H new ATOM 0 HZ PHE A 104 -4.078 -3.476 2.750 1.00 0.00 H new ATOM 1632 N GLN A 105 -3.150 0.418 9.953 1.00 0.00 N ATOM 1633 CA GLN A 105 -3.210 1.065 11.259 1.00 0.00 C ATOM 1634 C GLN A 105 -4.617 0.962 11.846 1.00 0.00 C ATOM 1635 O GLN A 105 -4.802 0.517 12.981 1.00 0.00 O ATOM 1636 CB GLN A 105 -2.797 2.539 11.131 1.00 0.00 C ATOM 1637 CG GLN A 105 -2.873 3.323 12.440 1.00 0.00 C ATOM 1638 CD GLN A 105 -2.521 4.796 12.280 1.00 0.00 C ATOM 1639 OE1 GLN A 105 -1.631 5.108 11.351 1.00 0.00 O flip ATOM 1640 NE2 GLN A 105 -3.046 5.653 12.993 1.00 0.00 N flip ATOM 0 H GLN A 105 -3.344 1.043 9.171 1.00 0.00 H new ATOM 0 HA GLN A 105 -2.519 0.557 11.932 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -1.777 2.588 10.749 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -3.437 3.022 10.393 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -3.880 3.239 12.848 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -2.197 2.872 13.166 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -3.729 5.380 13.700 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -2.798 6.635 12.876 1.00 0.00 H new ATOM 1649 N SER A 106 -5.604 1.379 11.064 1.00 0.00 N ATOM 1650 CA SER A 106 -6.996 1.386 11.503 1.00 0.00 C ATOM 1651 C SER A 106 -7.895 0.796 10.414 1.00 0.00 C ATOM 1652 O SER A 106 -7.505 0.754 9.247 1.00 0.00 O ATOM 1653 CB SER A 106 -7.418 2.826 11.832 1.00 0.00 C ATOM 1654 OG SER A 106 -6.521 3.415 12.765 1.00 0.00 O ATOM 0 H SER A 106 -5.465 1.720 10.113 1.00 0.00 H new ATOM 0 HA SER A 106 -7.099 0.773 12.398 1.00 0.00 H new ATOM 0 HB2 SER A 106 -7.442 3.420 10.919 1.00 0.00 H new ATOM 0 HB3 SER A 106 -8.429 2.829 12.241 1.00 0.00 H new ATOM 0 HG SER A 106 -6.807 4.332 12.960 1.00 0.00 H new ATOM 1660 N PRO A 107 -9.109 0.326 10.773 1.00 0.00 N ATOM 1661 CA PRO A 107 -10.044 -0.271 9.806 1.00 0.00 C ATOM 1662 C PRO A 107 -10.348 0.671 8.640 1.00 0.00 C ATOM 1663 O PRO A 107 -10.614 0.224 7.520 1.00 0.00 O ATOM 1664 CB PRO A 107 -11.312 -0.546 10.638 1.00 0.00 C ATOM 1665 CG PRO A 107 -11.148 0.255 11.885 1.00 0.00 C ATOM 1666 CD PRO A 107 -9.670 0.327 12.137 1.00 0.00 C ATOM 0 HA PRO A 107 -9.633 -1.168 9.343 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -12.210 -0.250 10.096 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -11.412 -1.608 10.863 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -11.573 1.252 11.768 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -11.664 -0.215 12.722 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -9.396 1.227 12.687 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -9.317 -0.523 12.721 1.00 0.00 H new ATOM 1674 N ALA A 108 -10.295 1.974 8.913 1.00 0.00 N ATOM 1675 CA ALA A 108 -10.548 2.990 7.898 1.00 0.00 C ATOM 1676 C ALA A 108 -9.523 2.895 6.769 1.00 0.00 C ATOM 1677 O ALA A 108 -9.875 2.619 5.620 1.00 0.00 O ATOM 1678 CB ALA A 108 -10.527 4.380 8.524 1.00 0.00 C ATOM 0 H ALA A 108 -10.077 2.350 9.836 1.00 0.00 H new ATOM 0 HA ALA A 108 -11.537 2.814 7.474 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -10.717 5.128 7.755 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -11.298 4.445 9.292 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -9.551 4.562 8.974 1.00 0.00 H new ATOM 1684 N ASP A 109 -8.250 3.100 7.111 1.00 0.00 N ATOM 1685 CA ASP A 109 -7.169 3.050 6.126 1.00 0.00 C ATOM 1686 C ASP A 109 -6.995 1.636 5.583 1.00 0.00 C ATOM 1687 O ASP A 109 -6.580 1.457 4.442 1.00 0.00 O ATOM 1688 CB ASP A 109 -5.845 3.565 6.717 1.00 0.00 C ATOM 1689 CG ASP A 109 -5.479 2.915 8.043 1.00 0.00 C ATOM 1690 OD1 ASP A 109 -5.934 3.423 9.090 1.00 0.00 O ATOM 1691 OD2 ASP A 109 -4.735 1.912 8.050 1.00 0.00 O ATOM 0 H ASP A 109 -7.943 3.302 8.062 1.00 0.00 H new ATOM 0 HA ASP A 109 -7.446 3.707 5.302 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -5.043 3.387 6.001 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -5.914 4.644 6.857 1.00 0.00 H new ATOM 1696 N ALA A 110 -7.325 0.640 6.401 1.00 0.00 N ATOM 1697 CA ALA A 110 -7.269 -0.755 5.978 1.00 0.00 C ATOM 1698 C ALA A 110 -8.154 -0.984 4.755 1.00 0.00 C ATOM 1699 O ALA A 110 -7.670 -1.351 3.683 1.00 0.00 O ATOM 1700 CB ALA A 110 -7.690 -1.676 7.119 1.00 0.00 C ATOM 0 H ALA A 110 -7.635 0.775 7.363 1.00 0.00 H new ATOM 0 HA ALA A 110 -6.240 -0.988 5.705 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -7.642 -2.713 6.786 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -7.019 -1.536 7.966 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -8.710 -1.438 7.421 1.00 0.00 H new ATOM 1706 N ARG A 111 -9.446 -0.728 4.927 1.00 0.00 N ATOM 1707 CA ARG A 111 -10.427 -0.929 3.865 1.00 0.00 C ATOM 1708 C ARG A 111 -10.153 0.007 2.689 1.00 0.00 C ATOM 1709 O ARG A 111 -10.222 -0.403 1.526 1.00 0.00 O ATOM 1710 CB ARG A 111 -11.841 -0.698 4.416 1.00 0.00 C ATOM 1711 CG ARG A 111 -12.256 -1.718 5.473 1.00 0.00 C ATOM 1712 CD ARG A 111 -13.463 -1.250 6.276 1.00 0.00 C ATOM 1713 NE ARG A 111 -14.606 -0.915 5.426 1.00 0.00 N ATOM 1714 CZ ARG A 111 -15.618 -0.140 5.815 1.00 0.00 C ATOM 1715 NH1 ARG A 111 -15.626 0.387 7.034 1.00 0.00 N ATOM 1716 NH2 ARG A 111 -16.619 0.104 4.985 1.00 0.00 N ATOM 0 H ARG A 111 -9.842 -0.378 5.799 1.00 0.00 H new ATOM 0 HA ARG A 111 -10.348 -1.955 3.504 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -11.896 0.302 4.846 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -12.553 -0.730 3.592 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -12.488 -2.667 4.989 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -11.420 -1.901 6.148 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -13.753 -2.031 6.978 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -13.186 -0.377 6.867 1.00 0.00 H new ATOM 0 HE ARG A 111 -14.630 -1.297 4.481 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -14.856 0.199 7.676 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -16.402 0.980 7.328 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -16.615 -0.301 4.049 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -17.394 0.697 5.281 1.00 0.00 H new ATOM 1730 N ALA A 112 -9.828 1.261 3.001 1.00 0.00 N ATOM 1731 CA ALA A 112 -9.554 2.264 1.978 1.00 0.00 C ATOM 1732 C ALA A 112 -8.354 1.859 1.124 1.00 0.00 C ATOM 1733 O ALA A 112 -8.370 2.008 -0.104 1.00 0.00 O ATOM 1734 CB ALA A 112 -9.317 3.625 2.623 1.00 0.00 C ATOM 0 H ALA A 112 -9.748 1.605 3.958 1.00 0.00 H new ATOM 0 HA ALA A 112 -10.424 2.333 1.325 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -9.114 4.364 1.848 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -10.204 3.921 3.184 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -8.464 3.564 3.299 1.00 0.00 H new ATOM 1740 N PHE A 113 -7.320 1.331 1.774 1.00 0.00 N ATOM 1741 CA PHE A 113 -6.097 0.946 1.082 1.00 0.00 C ATOM 1742 C PHE A 113 -6.314 -0.353 0.311 1.00 0.00 C ATOM 1743 O PHE A 113 -5.787 -0.517 -0.784 1.00 0.00 O ATOM 1744 CB PHE A 113 -4.929 0.794 2.069 1.00 0.00 C ATOM 1745 CG PHE A 113 -3.573 0.719 1.404 1.00 0.00 C ATOM 1746 CD1 PHE A 113 -3.045 -0.497 0.989 1.00 0.00 C ATOM 1747 CD2 PHE A 113 -2.825 1.871 1.195 1.00 0.00 C ATOM 1748 CE1 PHE A 113 -1.806 -0.561 0.382 1.00 0.00 C ATOM 1749 CE2 PHE A 113 -1.584 1.810 0.588 1.00 0.00 C ATOM 1750 CZ PHE A 113 -1.074 0.594 0.182 1.00 0.00 C ATOM 0 H PHE A 113 -7.306 1.161 2.780 1.00 0.00 H new ATOM 0 HA PHE A 113 -5.842 1.737 0.376 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -4.938 1.637 2.760 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -5.082 -0.107 2.663 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -3.611 -1.404 1.143 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -3.218 2.826 1.511 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -1.409 -1.514 0.064 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -1.014 2.714 0.432 1.00 0.00 H new ATOM 0 HZ PHE A 113 -0.104 0.545 -0.291 1.00 0.00 H new ATOM 1760 N ASP A 114 -7.094 -1.273 0.886 1.00 0.00 N ATOM 1761 CA ASP A 114 -7.419 -2.534 0.210 1.00 0.00 C ATOM 1762 C ASP A 114 -8.116 -2.259 -1.118 1.00 0.00 C ATOM 1763 O ASP A 114 -7.682 -2.733 -2.171 1.00 0.00 O ATOM 1764 CB ASP A 114 -8.308 -3.436 1.088 1.00 0.00 C ATOM 1765 CG ASP A 114 -7.534 -4.201 2.155 1.00 0.00 C ATOM 1766 OD1 ASP A 114 -6.400 -4.655 1.874 1.00 0.00 O ATOM 1767 OD2 ASP A 114 -8.071 -4.401 3.267 1.00 0.00 O ATOM 0 H ASP A 114 -7.510 -1.170 1.812 1.00 0.00 H new ATOM 0 HA ASP A 114 -6.481 -3.058 0.026 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -9.068 -2.823 1.572 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -8.832 -4.148 0.450 1.00 0.00 H new ATOM 1772 N ARG A 115 -9.193 -1.478 -1.067 1.00 0.00 N ATOM 1773 CA ARG A 115 -9.936 -1.124 -2.275 1.00 0.00 C ATOM 1774 C ARG A 115 -9.080 -0.254 -3.194 1.00 0.00 C ATOM 1775 O ARG A 115 -9.123 -0.398 -4.418 1.00 0.00 O ATOM 1776 CB ARG A 115 -11.252 -0.403 -1.929 1.00 0.00 C ATOM 1777 CG ARG A 115 -12.406 -1.336 -1.558 1.00 0.00 C ATOM 1778 CD ARG A 115 -12.161 -2.091 -0.255 1.00 0.00 C ATOM 1779 NE ARG A 115 -13.233 -3.048 0.029 1.00 0.00 N ATOM 1780 CZ ARG A 115 -14.369 -2.745 0.662 1.00 0.00 C ATOM 1781 NH1 ARG A 115 -14.593 -1.511 1.100 1.00 0.00 N ATOM 1782 NH2 ARG A 115 -15.284 -3.686 0.857 1.00 0.00 N ATOM 0 H ARG A 115 -9.570 -1.080 -0.207 1.00 0.00 H new ATOM 0 HA ARG A 115 -10.185 -2.048 -2.797 1.00 0.00 H new ATOM 0 HB2 ARG A 115 -11.071 0.279 -1.098 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -11.553 0.206 -2.781 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -13.323 -0.754 -1.468 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -12.561 -2.053 -2.364 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -11.209 -2.619 -0.314 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -12.081 -1.380 0.567 1.00 0.00 H new ATOM 0 HE ARG A 115 -13.103 -4.012 -0.278 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -13.893 -0.783 0.954 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -15.465 -1.291 1.582 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -15.118 -4.636 0.524 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -16.153 -3.460 1.340 1.00 0.00 H new ATOM 1796 N GLY A 116 -8.298 0.639 -2.592 1.00 0.00 N ATOM 1797 CA GLY A 116 -7.441 1.528 -3.359 1.00 0.00 C ATOM 1798 C GLY A 116 -6.391 0.777 -4.157 1.00 0.00 C ATOM 1799 O GLY A 116 -6.237 1.000 -5.362 1.00 0.00 O ATOM 0 H GLY A 116 -8.243 0.763 -1.581 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -8.053 2.121 -4.038 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -6.948 2.226 -2.682 1.00 0.00 H new ATOM 1803 N VAL A 117 -5.676 -0.126 -3.489 1.00 0.00 N ATOM 1804 CA VAL A 117 -4.619 -0.890 -4.134 1.00 0.00 C ATOM 1805 C VAL A 117 -5.218 -1.879 -5.127 1.00 0.00 C ATOM 1806 O VAL A 117 -4.644 -2.125 -6.184 1.00 0.00 O ATOM 1807 CB VAL A 117 -3.715 -1.641 -3.116 1.00 0.00 C ATOM 1808 CG1 VAL A 117 -4.467 -2.771 -2.411 1.00 0.00 C ATOM 1809 CG2 VAL A 117 -2.457 -2.168 -3.805 1.00 0.00 C ATOM 0 H VAL A 117 -5.812 -0.344 -2.502 1.00 0.00 H new ATOM 0 HA VAL A 117 -3.985 -0.176 -4.660 1.00 0.00 H new ATOM 0 HB VAL A 117 -3.418 -0.926 -2.349 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -3.799 -3.270 -1.709 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -5.320 -2.359 -1.871 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -4.819 -3.491 -3.150 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -1.836 -2.691 -3.078 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -2.740 -2.856 -4.602 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -1.897 -1.334 -4.227 1.00 0.00 H new ATOM 1819 N ARG A 118 -6.386 -2.431 -4.788 1.00 0.00 N ATOM 1820 CA ARG A 118 -7.096 -3.327 -5.696 1.00 0.00 C ATOM 1821 C ARG A 118 -7.367 -2.608 -7.012 1.00 0.00 C ATOM 1822 O ARG A 118 -7.038 -3.108 -8.087 1.00 0.00 O ATOM 1823 CB ARG A 118 -8.419 -3.802 -5.075 1.00 0.00 C ATOM 1824 CG ARG A 118 -9.184 -4.787 -5.955 1.00 0.00 C ATOM 1825 CD ARG A 118 -10.525 -5.187 -5.348 1.00 0.00 C ATOM 1826 NE ARG A 118 -11.207 -6.191 -6.169 1.00 0.00 N ATOM 1827 CZ ARG A 118 -12.511 -6.461 -6.114 1.00 0.00 C ATOM 1828 NH1 ARG A 118 -13.304 -5.801 -5.281 1.00 0.00 N ATOM 1829 NH2 ARG A 118 -13.022 -7.394 -6.901 1.00 0.00 N ATOM 0 H ARG A 118 -6.855 -2.273 -3.896 1.00 0.00 H new ATOM 0 HA ARG A 118 -6.473 -4.203 -5.879 1.00 0.00 H new ATOM 0 HB2 ARG A 118 -8.212 -4.271 -4.113 1.00 0.00 H new ATOM 0 HB3 ARG A 118 -9.051 -2.936 -4.878 1.00 0.00 H new ATOM 0 HG2 ARG A 118 -9.350 -4.341 -6.936 1.00 0.00 H new ATOM 0 HG3 ARG A 118 -8.577 -5.679 -6.110 1.00 0.00 H new ATOM 0 HD2 ARG A 118 -10.368 -5.582 -4.344 1.00 0.00 H new ATOM 0 HD3 ARG A 118 -11.158 -4.305 -5.249 1.00 0.00 H new ATOM 0 HE ARG A 118 -10.642 -6.722 -6.831 1.00 0.00 H new ATOM 0 HH11 ARG A 118 -12.917 -5.078 -4.674 1.00 0.00 H new ATOM 0 HH12 ARG A 118 -14.301 -6.016 -5.247 1.00 0.00 H new ATOM 0 HH21 ARG A 118 -12.418 -7.903 -7.546 1.00 0.00 H new ATOM 0 HH22 ARG A 118 -14.019 -7.604 -6.862 1.00 0.00 H new ATOM 1843 N LYS A 119 -7.945 -1.414 -6.904 1.00 0.00 N ATOM 1844 CA LYS A 119 -8.223 -0.572 -8.062 1.00 0.00 C ATOM 1845 C LYS A 119 -6.938 -0.298 -8.843 1.00 0.00 C ATOM 1846 O LYS A 119 -6.921 -0.374 -10.072 1.00 0.00 O ATOM 1847 CB LYS A 119 -8.857 0.749 -7.605 1.00 0.00 C ATOM 1848 CG LYS A 119 -9.101 1.749 -8.733 1.00 0.00 C ATOM 1849 CD LYS A 119 -9.661 3.068 -8.205 1.00 0.00 C ATOM 1850 CE LYS A 119 -9.808 4.109 -9.311 1.00 0.00 C ATOM 1851 NZ LYS A 119 -10.771 3.686 -10.364 1.00 0.00 N ATOM 0 H LYS A 119 -8.232 -1.005 -6.015 1.00 0.00 H new ATOM 0 HA LYS A 119 -8.920 -1.094 -8.717 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -9.806 0.533 -7.114 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -8.210 1.211 -6.859 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -8.167 1.936 -9.262 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -9.796 1.321 -9.455 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -10.632 2.891 -7.742 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -9.003 3.456 -7.427 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -10.140 5.052 -8.877 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -8.834 4.292 -9.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -10.913 4.465 -11.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -10.393 2.858 -10.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -11.680 3.438 -9.924 1.00 0.00 H new ATOM 1865 N ALA A 120 -5.867 0.011 -8.114 1.00 0.00 N ATOM 1866 CA ALA A 120 -4.570 0.296 -8.722 1.00 0.00 C ATOM 1867 C ALA A 120 -4.056 -0.907 -9.516 1.00 0.00 C ATOM 1868 O ALA A 120 -3.545 -0.757 -10.627 1.00 0.00 O ATOM 1869 CB ALA A 120 -3.563 0.699 -7.650 1.00 0.00 C ATOM 0 H ALA A 120 -5.873 0.070 -7.096 1.00 0.00 H new ATOM 0 HA ALA A 120 -4.695 1.126 -9.417 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -2.600 0.909 -8.116 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -3.918 1.591 -7.134 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.450 -0.114 -6.933 1.00 0.00 H new ATOM 1875 N ILE A 121 -4.200 -2.098 -8.936 1.00 0.00 N ATOM 1876 CA ILE A 121 -3.764 -3.336 -9.582 1.00 0.00 C ATOM 1877 C ILE A 121 -4.534 -3.559 -10.878 1.00 0.00 C ATOM 1878 O ILE A 121 -3.942 -3.776 -11.935 1.00 0.00 O ATOM 1879 CB ILE A 121 -3.960 -4.568 -8.659 1.00 0.00 C ATOM 1880 CG1 ILE A 121 -3.089 -4.444 -7.398 1.00 0.00 C ATOM 1881 CG2 ILE A 121 -3.641 -5.865 -9.407 1.00 0.00 C ATOM 1882 CD1 ILE A 121 -3.277 -5.572 -6.403 1.00 0.00 C ATOM 0 H ILE A 121 -4.617 -2.232 -8.015 1.00 0.00 H new ATOM 0 HA ILE A 121 -2.700 -3.228 -9.795 1.00 0.00 H new ATOM 0 HB ILE A 121 -5.006 -4.600 -8.353 1.00 0.00 H new ATOM 0 HG12 ILE A 121 -2.041 -4.407 -7.695 1.00 0.00 H new ATOM 0 HG13 ILE A 121 -3.314 -3.498 -6.905 1.00 0.00 H new ATOM 0 HG21 ILE A 121 -3.785 -6.715 -8.740 1.00 0.00 H new ATOM 0 HG22 ILE A 121 -4.304 -5.962 -10.267 1.00 0.00 H new ATOM 0 HG23 ILE A 121 -2.606 -5.843 -9.748 1.00 0.00 H new ATOM 0 HD11 ILE A 121 -2.628 -5.410 -5.543 1.00 0.00 H new ATOM 0 HD12 ILE A 121 -4.316 -5.597 -6.074 1.00 0.00 H new ATOM 0 HD13 ILE A 121 -3.023 -6.521 -6.876 1.00 0.00 H new ATOM 1894 N GLU A 122 -5.860 -3.488 -10.782 1.00 0.00 N ATOM 1895 CA GLU A 122 -6.735 -3.735 -11.925 1.00 0.00 C ATOM 1896 C GLU A 122 -6.463 -2.725 -13.039 1.00 0.00 C ATOM 1897 O GLU A 122 -6.357 -3.090 -14.214 1.00 0.00 O ATOM 1898 CB GLU A 122 -8.203 -3.674 -11.485 1.00 0.00 C ATOM 1899 CG GLU A 122 -8.531 -4.611 -10.327 1.00 0.00 C ATOM 1900 CD GLU A 122 -10.004 -4.602 -9.954 1.00 0.00 C ATOM 1901 OE1 GLU A 122 -10.507 -3.551 -9.506 1.00 0.00 O ATOM 1902 OE2 GLU A 122 -10.662 -5.655 -10.101 1.00 0.00 O ATOM 0 H GLU A 122 -6.354 -3.260 -9.919 1.00 0.00 H new ATOM 0 HA GLU A 122 -6.529 -4.732 -12.315 1.00 0.00 H new ATOM 0 HB2 GLU A 122 -8.445 -2.652 -11.194 1.00 0.00 H new ATOM 0 HB3 GLU A 122 -8.839 -3.923 -12.334 1.00 0.00 H new ATOM 0 HG2 GLU A 122 -8.236 -5.626 -10.593 1.00 0.00 H new ATOM 0 HG3 GLU A 122 -7.940 -4.325 -9.457 1.00 0.00 H new ATOM 1909 N ASP A 123 -6.331 -1.458 -12.651 1.00 0.00 N ATOM 1910 CA ASP A 123 -6.033 -0.380 -13.592 1.00 0.00 C ATOM 1911 C ASP A 123 -4.699 -0.628 -14.283 1.00 0.00 C ATOM 1912 O ASP A 123 -4.564 -0.437 -15.495 1.00 0.00 O ATOM 1913 CB ASP A 123 -5.990 0.973 -12.864 1.00 0.00 C ATOM 1914 CG ASP A 123 -5.630 2.132 -13.788 1.00 0.00 C ATOM 1915 OD1 ASP A 123 -6.552 2.725 -14.392 1.00 0.00 O ATOM 1916 OD2 ASP A 123 -4.431 2.467 -13.910 1.00 0.00 O ATOM 0 H ASP A 123 -6.427 -1.151 -11.683 1.00 0.00 H new ATOM 0 HA ASP A 123 -6.824 -0.357 -14.342 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -6.961 1.166 -12.409 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -5.263 0.921 -12.054 1.00 0.00 H new ATOM 1921 N LEU A 124 -3.722 -1.069 -13.499 1.00 0.00 N ATOM 1922 CA LEU A 124 -2.376 -1.307 -13.998 1.00 0.00 C ATOM 1923 C LEU A 124 -2.354 -2.467 -14.991 1.00 0.00 C ATOM 1924 O LEU A 124 -1.775 -2.353 -16.078 1.00 0.00 O ATOM 1925 CB LEU A 124 -1.422 -1.587 -12.827 1.00 0.00 C ATOM 1926 CG LEU A 124 0.051 -1.820 -13.205 1.00 0.00 C ATOM 1927 CD1 LEU A 124 0.603 -0.651 -14.017 1.00 0.00 C ATOM 1928 CD2 LEU A 124 0.890 -2.044 -11.950 1.00 0.00 C ATOM 0 H LEU A 124 -3.841 -1.270 -12.506 1.00 0.00 H new ATOM 0 HA LEU A 124 -2.043 -0.411 -14.522 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -1.471 -0.747 -12.134 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -1.783 -2.464 -12.291 1.00 0.00 H new ATOM 0 HG LEU A 124 0.104 -2.714 -13.827 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.646 -0.844 -14.270 1.00 0.00 H new ATOM 0 HD12 LEU A 124 0.023 -0.538 -14.933 1.00 0.00 H new ATOM 0 HD13 LEU A 124 0.535 0.264 -13.429 1.00 0.00 H new ATOM 0 HD21 LEU A 124 1.930 -2.208 -12.232 1.00 0.00 H new ATOM 0 HD22 LEU A 124 0.822 -1.167 -11.306 1.00 0.00 H new ATOM 0 HD23 LEU A 124 0.518 -2.917 -11.414 1.00 0.00 H new ATOM 1940 N ILE A 125 -2.988 -3.582 -14.631 1.00 0.00 N ATOM 1941 CA ILE A 125 -2.964 -4.765 -15.480 1.00 0.00 C ATOM 1942 C ILE A 125 -3.874 -4.596 -16.701 1.00 0.00 C ATOM 1943 O ILE A 125 -3.381 -4.506 -17.823 1.00 0.00 O ATOM 1944 CB ILE A 125 -3.298 -6.079 -14.707 1.00 0.00 C ATOM 1945 CG1 ILE A 125 -4.661 -6.002 -13.993 1.00 0.00 C ATOM 1946 CG2 ILE A 125 -2.186 -6.401 -13.708 1.00 0.00 C ATOM 1947 CD1 ILE A 125 -4.993 -7.227 -13.161 1.00 0.00 C ATOM 0 H ILE A 125 -3.518 -3.688 -13.766 1.00 0.00 H new ATOM 0 HA ILE A 125 -1.937 -4.866 -15.831 1.00 0.00 H new ATOM 0 HB ILE A 125 -3.365 -6.883 -15.440 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -4.672 -5.124 -13.348 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -5.443 -5.860 -14.739 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -2.431 -7.320 -13.175 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -1.244 -6.531 -14.241 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -2.089 -5.582 -12.995 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -5.968 -7.095 -12.691 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -5.016 -8.108 -13.803 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -4.234 -7.360 -12.390 1.00 0.00 H new ATOM 1959 N GLU A 126 -5.182 -4.485 -16.488 1.00 0.00 N ATOM 1960 CA GLU A 126 -6.139 -4.483 -17.592 1.00 0.00 C ATOM 1961 C GLU A 126 -7.237 -3.450 -17.333 1.00 0.00 C ATOM 1962 O GLU A 126 -8.229 -3.778 -16.646 1.00 0.00 O ATOM 1963 CB GLU A 126 -6.751 -5.886 -17.788 1.00 0.00 C ATOM 1964 CG GLU A 126 -5.734 -6.991 -18.094 1.00 0.00 C ATOM 1965 CD GLU A 126 -4.942 -6.750 -19.376 1.00 0.00 C ATOM 1966 OE1 GLU A 126 -5.564 -6.521 -20.435 1.00 0.00 O ATOM 1967 OE2 GLU A 126 -3.689 -6.792 -19.337 1.00 0.00 O ATOM 1968 OXT GLU A 126 -7.094 -2.303 -17.807 1.00 0.00 O ATOM 0 H GLU A 126 -5.604 -4.395 -15.564 1.00 0.00 H new ATOM 0 HA GLU A 126 -5.612 -4.213 -18.507 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -7.301 -6.157 -16.887 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -7.475 -5.841 -18.602 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -5.040 -7.077 -17.258 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -6.257 -7.944 -18.173 1.00 0.00 H new TER 1975 GLU A 126