USER MOD reduce.3.24.130724 H: found=0, std=0, add=998, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 998 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 82 CYS SG : rot -159:sc= 0.533 USER MOD Set 1.2: A 102 GLN : amide:sc= -3.49! K(o=-3!,f=-4.4) USER MOD Set 2.1: A 50 GLN : amide:sc= -8.48! C(o=-11!,f=-15!) USER MOD Set 2.2: A 56 THR OG1 : rot 180:sc= -2.41 USER MOD Set 3.1: A 49 GLN : amide:sc= -1.17 K(o=-0.78,f=-1.5) USER MOD Set 3.2: A 59 THR OG1 : rot -107:sc= 0.389 USER MOD Set 4.1: A 45 HIS : no HE2:sc= -5.28! C(o=-12!,f=-14!) USER MOD Set 4.2: A 124 HIS : no HE2:sc= -6.3! C(o=-12!,f=-16!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.0965 X(o=-0.096,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.314 X(o=-0.31,f=-0.15) USER MOD Single : A 7 HIS : no HE2:sc= 0.238 K(o=0.24,f=-4.3!) USER MOD Single : A 8 HIS : no HD1:sc= -0.127 X(o=-0.13,f=-0.032) USER MOD Single : A 9 HIS : no HD1:sc= -0.049 X(o=-0.049,f=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.0284 X(o=-0.028,f=-0.37) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0934 X(o=-0.093,f=-0.11) USER MOD Single : A 19 ASN : amide:sc= -0.302 K(o=-0.3,f=-2.5!) USER MOD Single : A 21 HIS : no HD1:sc= -0.28 K(o=-0.28,f=-1) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -0.566 X(o=-0.57,f=-0.61) USER MOD Single : A 55 LYS NZ :NH3+ 157:sc= -0.121 (180deg=-0.457) USER MOD Single : A 58 THR OG1 : rot 83:sc= 1.2 USER MOD Single : A 61 GLN : amide:sc= -2.15! C(o=-2.2!,f=-1.9!) USER MOD Single : A 67 TYR OH : rot -123:sc= 1.18 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.657) USER MOD Single : A 71 LYS NZ :NH3+ 170:sc= -0.0917 (180deg=-0.242) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -149:sc= 0.19 (180deg=-0.217) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -166:sc=-0.000352 (180deg=-0.124) USER MOD Single : A 83 ASN : amide:sc= -0.311 X(o=-0.31,f=-0.084) USER MOD Single : A 85 THR OG1 : rot -44:sc= -0.252 USER MOD Single : A 89 HIS : no HD1:sc= -2.72 K(o=-2.7,f=-4.7!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -3.64! C(o=-3.6!,f=-9.7!) USER MOD Single : A 99 GLN : amide:sc= -0.0173 K(o=-0.017,f=-1.5) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -1.11 X(o=-1.1,f=-1.3!) USER MOD Single : A 107 CYS SG : rot -108:sc= -0.588 USER MOD Single : A 108 GLN : amide:sc= -0.49 X(o=-0.49,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 GLN :FLIP amide:sc= -3.36 F(o=-6.9!,f=-3.4) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -29.451 -58.606 8.788 1.00 0.00 N ATOM 2 CA MET A 1 -28.143 -59.229 8.456 1.00 0.00 C ATOM 3 C MET A 1 -27.766 -58.974 7.000 1.00 0.00 C ATOM 4 O MET A 1 -26.696 -58.439 6.711 1.00 0.00 O ATOM 5 CB MET A 1 -28.238 -60.734 8.725 1.00 0.00 C ATOM 6 CG MET A 1 -27.332 -61.207 9.851 1.00 0.00 C ATOM 7 SD MET A 1 -25.705 -61.714 9.264 1.00 0.00 S ATOM 8 CE MET A 1 -24.860 -62.003 10.817 1.00 0.00 C ATOM 0 H1 MET A 1 -29.683 -58.795 9.784 1.00 0.00 H new ATOM 0 H2 MET A 1 -29.395 -57.579 8.634 1.00 0.00 H new ATOM 0 H3 MET A 1 -30.192 -59.008 8.178 1.00 0.00 H new ATOM 0 HA MET A 1 -27.365 -58.786 9.078 1.00 0.00 H new ATOM 0 HB2 MET A 1 -29.270 -60.987 8.969 1.00 0.00 H new ATOM 0 HB3 MET A 1 -27.984 -61.275 7.813 1.00 0.00 H new ATOM 0 HG2 MET A 1 -27.217 -60.406 10.581 1.00 0.00 H new ATOM 0 HG3 MET A 1 -27.805 -62.043 10.366 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.837 -62.324 10.620 1.00 0.00 H new ATOM 0 HE2 MET A 1 -24.846 -61.082 11.400 1.00 0.00 H new ATOM 0 HE3 MET A 1 -25.383 -62.779 11.377 1.00 0.00 H new ATOM 20 N ARG A 2 -28.651 -59.361 6.088 1.00 0.00 N ATOM 21 CA ARG A 2 -28.410 -59.173 4.662 1.00 0.00 C ATOM 22 C ARG A 2 -29.157 -57.950 4.140 1.00 0.00 C ATOM 23 O ARG A 2 -30.177 -57.547 4.700 1.00 0.00 O ATOM 24 CB ARG A 2 -28.841 -60.418 3.883 1.00 0.00 C ATOM 25 CG ARG A 2 -27.897 -61.598 4.054 1.00 0.00 C ATOM 26 CD ARG A 2 -28.267 -62.745 3.126 1.00 0.00 C ATOM 27 NE ARG A 2 -29.581 -63.301 3.440 1.00 0.00 N ATOM 28 CZ ARG A 2 -30.276 -64.071 2.606 1.00 0.00 C ATOM 29 NH1 ARG A 2 -29.790 -64.377 1.410 1.00 0.00 N ATOM 30 NH2 ARG A 2 -31.464 -64.537 2.970 1.00 0.00 N ATOM 0 H ARG A 2 -29.541 -59.807 6.310 1.00 0.00 H new ATOM 0 HA ARG A 2 -27.342 -59.013 4.518 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -29.839 -60.712 4.207 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -28.910 -60.169 2.824 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -26.874 -61.280 3.852 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -27.925 -61.941 5.088 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -28.259 -62.394 2.094 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -27.514 -63.530 3.201 1.00 0.00 H new ATOM 0 HE ARG A 2 -29.989 -63.087 4.350 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -28.878 -64.022 1.124 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -30.329 -64.968 0.777 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -31.843 -64.305 3.888 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -31.998 -65.127 2.332 1.00 0.00 H new ATOM 44 N GLY A 3 -28.641 -57.363 3.064 1.00 0.00 N ATOM 45 CA GLY A 3 -29.272 -56.191 2.484 1.00 0.00 C ATOM 46 C GLY A 3 -29.785 -56.443 1.080 1.00 0.00 C ATOM 47 O GLY A 3 -29.013 -56.778 0.181 1.00 0.00 O ATOM 0 H GLY A 3 -27.798 -57.678 2.584 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -30.100 -55.877 3.119 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -28.556 -55.369 2.464 1.00 0.00 H new ATOM 51 N SER A 4 -31.090 -56.280 0.891 1.00 0.00 N ATOM 52 CA SER A 4 -31.707 -56.492 -0.414 1.00 0.00 C ATOM 53 C SER A 4 -32.258 -55.184 -0.974 1.00 0.00 C ATOM 54 O SER A 4 -32.154 -54.918 -2.171 1.00 0.00 O ATOM 55 CB SER A 4 -32.827 -57.528 -0.309 1.00 0.00 C ATOM 56 OG SER A 4 -33.495 -57.685 -1.549 1.00 0.00 O ATOM 0 H SER A 4 -31.741 -56.002 1.625 1.00 0.00 H new ATOM 0 HA SER A 4 -30.941 -56.863 -1.095 1.00 0.00 H new ATOM 0 HB2 SER A 4 -32.413 -58.485 0.008 1.00 0.00 H new ATOM 0 HB3 SER A 4 -33.540 -57.221 0.456 1.00 0.00 H new ATOM 0 HG SER A 4 -34.205 -58.354 -1.456 1.00 0.00 H new ATOM 62 N HIS A 5 -32.844 -54.373 -0.099 1.00 0.00 N ATOM 63 CA HIS A 5 -33.411 -53.092 -0.507 1.00 0.00 C ATOM 64 C HIS A 5 -32.571 -51.933 0.020 1.00 0.00 C ATOM 65 O HIS A 5 -32.735 -51.501 1.161 1.00 0.00 O ATOM 66 CB HIS A 5 -34.852 -52.967 -0.006 1.00 0.00 C ATOM 67 CG HIS A 5 -35.853 -52.781 -1.104 1.00 0.00 C ATOM 68 ND1 HIS A 5 -36.861 -51.842 -1.053 1.00 0.00 N ATOM 69 CD2 HIS A 5 -35.996 -53.420 -2.289 1.00 0.00 C ATOM 70 CE1 HIS A 5 -37.582 -51.913 -2.159 1.00 0.00 C ATOM 71 NE2 HIS A 5 -37.077 -52.861 -2.925 1.00 0.00 N ATOM 0 H HIS A 5 -32.939 -54.579 0.895 1.00 0.00 H new ATOM 0 HA HIS A 5 -33.409 -53.050 -1.596 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -35.110 -53.861 0.562 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -34.917 -52.123 0.681 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -35.375 -54.220 -2.664 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -38.439 -51.299 -2.395 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -37.432 -53.134 -3.841 1.00 0.00 H new ATOM 80 N HIS A 6 -31.670 -51.433 -0.820 1.00 0.00 N ATOM 81 CA HIS A 6 -30.803 -50.323 -0.441 1.00 0.00 C ATOM 82 C HIS A 6 -29.985 -49.839 -1.634 1.00 0.00 C ATOM 83 O HIS A 6 -28.949 -50.417 -1.965 1.00 0.00 O ATOM 84 CB HIS A 6 -29.872 -50.745 0.700 1.00 0.00 C ATOM 85 CG HIS A 6 -30.085 -49.969 1.962 1.00 0.00 C ATOM 86 ND1 HIS A 6 -29.819 -50.483 3.215 1.00 0.00 N ATOM 87 CD2 HIS A 6 -30.539 -48.710 2.163 1.00 0.00 C ATOM 88 CE1 HIS A 6 -30.101 -49.573 4.131 1.00 0.00 C ATOM 89 NE2 HIS A 6 -30.539 -48.488 3.518 1.00 0.00 N ATOM 0 H HIS A 6 -31.521 -51.779 -1.768 1.00 0.00 H new ATOM 0 HA HIS A 6 -31.432 -49.500 -0.101 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -30.019 -51.805 0.905 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -28.838 -50.624 0.378 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -30.845 -48.010 1.399 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -29.992 -49.696 5.198 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -30.830 -47.625 3.977 1.00 0.00 H new ATOM 98 N HIS A 7 -30.457 -48.776 -2.278 1.00 0.00 N ATOM 99 CA HIS A 7 -29.767 -48.216 -3.435 1.00 0.00 C ATOM 100 C HIS A 7 -29.741 -46.692 -3.372 1.00 0.00 C ATOM 101 O HIS A 7 -30.634 -46.023 -3.890 1.00 0.00 O ATOM 102 CB HIS A 7 -30.441 -48.674 -4.731 1.00 0.00 C ATOM 103 CG HIS A 7 -31.938 -48.629 -4.681 1.00 0.00 C ATOM 104 ND1 HIS A 7 -32.641 -47.641 -4.023 1.00 0.00 N ATOM 105 CD2 HIS A 7 -32.868 -49.458 -5.212 1.00 0.00 C ATOM 106 CE1 HIS A 7 -33.937 -47.865 -4.153 1.00 0.00 C ATOM 107 NE2 HIS A 7 -34.101 -48.961 -4.870 1.00 0.00 N ATOM 0 H HIS A 7 -31.313 -48.286 -2.019 1.00 0.00 H new ATOM 0 HA HIS A 7 -28.739 -48.578 -3.421 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -30.095 -48.046 -5.552 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -30.124 -49.693 -4.954 1.00 0.00 H new ATOM 0 HD1 HIS A 7 -32.226 -46.860 -3.516 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -32.675 -50.346 -5.796 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -34.728 -47.255 -3.742 1.00 0.00 H new ATOM 116 N HIS A 8 -28.708 -46.149 -2.732 1.00 0.00 N ATOM 117 CA HIS A 8 -28.565 -44.704 -2.602 1.00 0.00 C ATOM 118 C HIS A 8 -27.325 -44.211 -3.341 1.00 0.00 C ATOM 119 O HIS A 8 -26.343 -44.940 -3.480 1.00 0.00 O ATOM 120 CB HIS A 8 -28.484 -44.310 -1.126 1.00 0.00 C ATOM 121 CG HIS A 8 -29.814 -43.981 -0.521 1.00 0.00 C ATOM 122 ND1 HIS A 8 -29.951 -43.348 0.697 1.00 0.00 N ATOM 123 CD2 HIS A 8 -31.071 -44.200 -0.974 1.00 0.00 C ATOM 124 CE1 HIS A 8 -31.236 -43.193 0.967 1.00 0.00 C ATOM 125 NE2 HIS A 8 -31.936 -43.700 -0.031 1.00 0.00 N ATOM 0 H HIS A 8 -27.960 -46.688 -2.297 1.00 0.00 H new ATOM 0 HA HIS A 8 -29.442 -44.235 -3.049 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -28.031 -45.127 -0.565 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -27.824 -43.448 -1.024 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -31.343 -44.678 -1.903 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -31.644 -42.730 1.854 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -32.954 -43.718 -0.092 1.00 0.00 H new ATOM 134 N HIS A 9 -27.377 -42.970 -3.813 1.00 0.00 N ATOM 135 CA HIS A 9 -26.259 -42.378 -4.539 1.00 0.00 C ATOM 136 C HIS A 9 -26.519 -40.903 -4.827 1.00 0.00 C ATOM 137 O HIS A 9 -27.487 -40.554 -5.502 1.00 0.00 O ATOM 138 CB HIS A 9 -26.016 -43.134 -5.847 1.00 0.00 C ATOM 139 CG HIS A 9 -24.573 -43.436 -6.105 1.00 0.00 C ATOM 140 ND1 HIS A 9 -24.144 -44.592 -6.722 1.00 0.00 N ATOM 141 CD2 HIS A 9 -23.455 -42.723 -5.828 1.00 0.00 C ATOM 142 CE1 HIS A 9 -22.826 -44.579 -6.812 1.00 0.00 C ATOM 143 NE2 HIS A 9 -22.383 -43.456 -6.276 1.00 0.00 N ATOM 0 H HIS A 9 -28.183 -42.354 -3.706 1.00 0.00 H new ATOM 0 HA HIS A 9 -25.369 -42.455 -3.915 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -26.576 -44.069 -5.826 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -26.409 -42.545 -6.676 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -23.414 -41.758 -5.345 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -22.215 -45.355 -7.249 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -21.404 -43.178 -6.206 1.00 0.00 H new ATOM 152 N HIS A 10 -25.647 -40.041 -4.311 1.00 0.00 N ATOM 153 CA HIS A 10 -25.783 -38.603 -4.514 1.00 0.00 C ATOM 154 C HIS A 10 -24.585 -38.042 -5.273 1.00 0.00 C ATOM 155 O HIS A 10 -23.530 -37.790 -4.690 1.00 0.00 O ATOM 156 CB HIS A 10 -25.927 -37.890 -3.168 1.00 0.00 C ATOM 157 CG HIS A 10 -26.587 -36.550 -3.268 1.00 0.00 C ATOM 158 ND1 HIS A 10 -26.059 -35.503 -3.996 1.00 0.00 N ATOM 159 CD2 HIS A 10 -27.739 -36.087 -2.729 1.00 0.00 C ATOM 160 CE1 HIS A 10 -26.858 -34.455 -3.897 1.00 0.00 C ATOM 161 NE2 HIS A 10 -27.884 -34.783 -3.136 1.00 0.00 N ATOM 0 H HIS A 10 -24.840 -40.314 -3.750 1.00 0.00 H new ATOM 0 HA HIS A 10 -26.679 -38.429 -5.109 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -26.504 -38.521 -2.492 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -24.939 -37.767 -2.724 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -28.418 -36.640 -2.097 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -26.698 -33.493 -4.361 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -28.660 -34.168 -2.890 1.00 0.00 H new ATOM 170 N THR A 11 -24.755 -37.846 -6.576 1.00 0.00 N ATOM 171 CA THR A 11 -23.690 -37.312 -7.415 1.00 0.00 C ATOM 172 C THR A 11 -24.206 -36.173 -8.289 1.00 0.00 C ATOM 173 O THR A 11 -25.135 -36.353 -9.075 1.00 0.00 O ATOM 174 CB THR A 11 -23.100 -38.417 -8.294 1.00 0.00 C ATOM 175 OG1 THR A 11 -23.079 -39.651 -7.600 1.00 0.00 O ATOM 176 CG2 THR A 11 -21.689 -38.125 -8.756 1.00 0.00 C ATOM 0 H THR A 11 -25.622 -38.049 -7.074 1.00 0.00 H new ATOM 0 HA THR A 11 -22.909 -36.921 -6.762 1.00 0.00 H new ATOM 0 HB THR A 11 -23.748 -38.467 -9.169 1.00 0.00 H new ATOM 0 HG1 THR A 11 -22.700 -40.345 -8.179 1.00 0.00 H new ATOM 0 HG21 THR A 11 -21.331 -38.948 -9.375 1.00 0.00 H new ATOM 0 HG22 THR A 11 -21.680 -37.203 -9.338 1.00 0.00 H new ATOM 0 HG23 THR A 11 -21.038 -38.013 -7.889 1.00 0.00 H new ATOM 184 N ASP A 12 -23.599 -35.000 -8.144 1.00 0.00 N ATOM 185 CA ASP A 12 -24.000 -33.832 -8.920 1.00 0.00 C ATOM 186 C ASP A 12 -22.783 -33.120 -9.506 1.00 0.00 C ATOM 187 O ASP A 12 -22.301 -32.134 -8.948 1.00 0.00 O ATOM 188 CB ASP A 12 -24.800 -32.865 -8.045 1.00 0.00 C ATOM 189 CG ASP A 12 -25.942 -32.212 -8.802 1.00 0.00 C ATOM 190 OD1 ASP A 12 -25.678 -31.586 -9.850 1.00 0.00 O ATOM 191 OD2 ASP A 12 -27.098 -32.326 -8.345 1.00 0.00 O ATOM 0 H ASP A 12 -22.828 -34.833 -7.497 1.00 0.00 H new ATOM 0 HA ASP A 12 -24.628 -34.172 -9.744 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -25.198 -33.402 -7.184 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -24.135 -32.093 -7.659 1.00 0.00 H new ATOM 196 N PRO A 13 -22.269 -33.613 -10.647 1.00 0.00 N ATOM 197 CA PRO A 13 -21.104 -33.019 -11.311 1.00 0.00 C ATOM 198 C PRO A 13 -21.306 -31.540 -11.631 1.00 0.00 C ATOM 199 O PRO A 13 -20.341 -30.801 -11.830 1.00 0.00 O ATOM 200 CB PRO A 13 -20.972 -33.830 -12.605 1.00 0.00 C ATOM 201 CG PRO A 13 -21.665 -35.118 -12.322 1.00 0.00 C ATOM 202 CD PRO A 13 -22.784 -34.784 -11.378 1.00 0.00 C ATOM 0 HA PRO A 13 -20.218 -33.056 -10.677 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -21.432 -33.310 -13.446 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -19.926 -33.993 -12.864 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -22.048 -35.565 -13.239 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -20.981 -35.840 -11.877 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -23.706 -34.552 -11.912 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -23.005 -35.613 -10.706 1.00 0.00 H new ATOM 210 N MET A 14 -22.565 -31.114 -11.682 1.00 0.00 N ATOM 211 CA MET A 14 -22.895 -29.723 -11.979 1.00 0.00 C ATOM 212 C MET A 14 -22.200 -28.768 -11.011 1.00 0.00 C ATOM 213 O MET A 14 -22.019 -27.588 -11.314 1.00 0.00 O ATOM 214 CB MET A 14 -24.408 -29.513 -11.921 1.00 0.00 C ATOM 215 CG MET A 14 -25.167 -30.242 -13.018 1.00 0.00 C ATOM 216 SD MET A 14 -26.947 -29.967 -12.933 1.00 0.00 S ATOM 217 CE MET A 14 -27.305 -29.548 -14.636 1.00 0.00 C ATOM 0 H MET A 14 -23.375 -31.713 -11.521 1.00 0.00 H new ATOM 0 HA MET A 14 -22.540 -29.504 -12.986 1.00 0.00 H new ATOM 0 HB2 MET A 14 -24.776 -29.849 -10.952 1.00 0.00 H new ATOM 0 HB3 MET A 14 -24.621 -28.446 -11.991 1.00 0.00 H new ATOM 0 HG2 MET A 14 -24.799 -29.913 -13.990 1.00 0.00 H new ATOM 0 HG3 MET A 14 -24.965 -31.311 -12.946 1.00 0.00 H new ATOM 0 HE1 MET A 14 -28.371 -29.349 -14.745 1.00 0.00 H new ATOM 0 HE2 MET A 14 -26.740 -28.660 -14.919 1.00 0.00 H new ATOM 0 HE3 MET A 14 -27.023 -30.379 -15.282 1.00 0.00 H new ATOM 227 N SER A 15 -21.815 -29.279 -9.845 1.00 0.00 N ATOM 228 CA SER A 15 -21.143 -28.462 -8.841 1.00 0.00 C ATOM 229 C SER A 15 -19.625 -28.569 -8.966 1.00 0.00 C ATOM 230 O SER A 15 -18.895 -28.295 -8.013 1.00 0.00 O ATOM 231 CB SER A 15 -21.579 -28.883 -7.436 1.00 0.00 C ATOM 232 OG SER A 15 -21.689 -27.762 -6.577 1.00 0.00 O ATOM 0 H SER A 15 -21.957 -30.252 -9.573 1.00 0.00 H new ATOM 0 HA SER A 15 -21.428 -27.424 -9.011 1.00 0.00 H new ATOM 0 HB2 SER A 15 -22.537 -29.399 -7.489 1.00 0.00 H new ATOM 0 HB3 SER A 15 -20.858 -29.590 -7.025 1.00 0.00 H new ATOM 0 HG SER A 15 -21.970 -28.059 -5.686 1.00 0.00 H new ATOM 238 N ALA A 16 -19.152 -28.965 -10.146 1.00 0.00 N ATOM 239 CA ALA A 16 -17.722 -29.103 -10.390 1.00 0.00 C ATOM 240 C ALA A 16 -17.451 -29.518 -11.833 1.00 0.00 C ATOM 241 O ALA A 16 -16.562 -30.325 -12.101 1.00 0.00 O ATOM 242 CB ALA A 16 -17.116 -30.113 -9.427 1.00 0.00 C ATOM 0 H ALA A 16 -19.740 -29.195 -10.947 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.254 -28.133 -10.222 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.047 -30.205 -9.621 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -17.271 -29.776 -8.402 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -17.595 -31.082 -9.567 1.00 0.00 H new ATOM 248 N ILE A 17 -18.225 -28.960 -12.758 1.00 0.00 N ATOM 249 CA ILE A 17 -18.070 -29.272 -14.174 1.00 0.00 C ATOM 250 C ILE A 17 -16.668 -28.928 -14.664 1.00 0.00 C ATOM 251 O ILE A 17 -15.976 -28.101 -14.069 1.00 0.00 O ATOM 252 CB ILE A 17 -19.100 -28.516 -15.035 1.00 0.00 C ATOM 253 CG1 ILE A 17 -20.501 -28.648 -14.434 1.00 0.00 C ATOM 254 CG2 ILE A 17 -19.076 -29.035 -16.465 1.00 0.00 C ATOM 255 CD1 ILE A 17 -21.027 -27.358 -13.846 1.00 0.00 C ATOM 0 H ILE A 17 -18.966 -28.290 -12.552 1.00 0.00 H new ATOM 0 HA ILE A 17 -18.237 -30.344 -14.279 1.00 0.00 H new ATOM 0 HB ILE A 17 -18.834 -27.459 -15.048 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -21.188 -28.993 -15.206 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -20.484 -29.412 -13.657 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -19.809 -28.492 -17.062 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -18.082 -28.888 -16.889 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -19.320 -30.097 -16.471 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -22.024 -27.524 -13.438 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -20.361 -27.022 -13.051 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -21.076 -26.597 -14.624 1.00 0.00 H new ATOM 267 N GLN A 18 -16.257 -29.565 -15.754 1.00 0.00 N ATOM 268 CA GLN A 18 -14.939 -29.327 -16.328 1.00 0.00 C ATOM 269 C GLN A 18 -14.940 -29.605 -17.827 1.00 0.00 C ATOM 270 O GLN A 18 -15.866 -30.222 -18.353 1.00 0.00 O ATOM 271 CB GLN A 18 -13.893 -30.204 -15.637 1.00 0.00 C ATOM 272 CG GLN A 18 -14.207 -31.690 -15.701 1.00 0.00 C ATOM 273 CD GLN A 18 -15.008 -32.168 -14.507 1.00 0.00 C ATOM 274 OE1 GLN A 18 -14.524 -32.154 -13.375 1.00 0.00 O ATOM 275 NE2 GLN A 18 -16.241 -32.595 -14.753 1.00 0.00 N ATOM 0 H GLN A 18 -16.819 -30.251 -16.258 1.00 0.00 H new ATOM 0 HA GLN A 18 -14.686 -28.278 -16.171 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -12.921 -30.026 -16.097 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -13.811 -29.903 -14.593 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.763 -31.901 -16.615 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -13.275 -32.252 -15.757 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -16.602 -32.589 -15.707 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -16.827 -32.929 -13.988 1.00 0.00 H new ATOM 284 N ASN A 19 -13.898 -29.145 -18.510 1.00 0.00 N ATOM 285 CA ASN A 19 -13.779 -29.344 -19.950 1.00 0.00 C ATOM 286 C ASN A 19 -12.415 -29.927 -20.308 1.00 0.00 C ATOM 287 O ASN A 19 -12.325 -30.935 -21.006 1.00 0.00 O ATOM 288 CB ASN A 19 -13.998 -28.022 -20.688 1.00 0.00 C ATOM 289 CG ASN A 19 -15.089 -28.117 -21.737 1.00 0.00 C ATOM 290 OD1 ASN A 19 -15.911 -29.034 -21.713 1.00 0.00 O ATOM 291 ND2 ASN A 19 -15.102 -27.168 -22.666 1.00 0.00 N ATOM 0 H ASN A 19 -13.123 -28.632 -18.090 1.00 0.00 H new ATOM 0 HA ASN A 19 -14.546 -30.053 -20.260 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -14.257 -27.246 -19.968 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -13.066 -27.716 -21.164 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -15.812 -27.180 -23.398 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -14.402 -26.427 -22.648 1.00 0.00 H new ATOM 298 N LEU A 20 -11.357 -29.283 -19.823 1.00 0.00 N ATOM 299 CA LEU A 20 -9.997 -29.738 -20.092 1.00 0.00 C ATOM 300 C LEU A 20 -9.737 -29.814 -21.594 1.00 0.00 C ATOM 301 O LEU A 20 -9.200 -30.802 -22.093 1.00 0.00 O ATOM 302 CB LEU A 20 -9.758 -31.105 -19.448 1.00 0.00 C ATOM 303 CG LEU A 20 -8.289 -31.512 -19.318 1.00 0.00 C ATOM 304 CD1 LEU A 20 -7.661 -30.861 -18.094 1.00 0.00 C ATOM 305 CD2 LEU A 20 -8.162 -33.026 -19.242 1.00 0.00 C ATOM 0 H LEU A 20 -11.415 -28.446 -19.243 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.305 -29.016 -19.659 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.209 -31.106 -18.455 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.278 -31.862 -20.035 1.00 0.00 H new ATOM 0 HG LEU A 20 -7.755 -31.165 -20.203 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -6.616 -31.162 -18.018 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.720 -29.777 -18.188 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.196 -31.178 -17.199 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -7.111 -33.299 -19.150 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -8.710 -33.394 -18.374 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.574 -33.472 -20.147 1.00 0.00 H new ATOM 317 N HIS A 21 -10.125 -28.762 -22.309 1.00 0.00 N ATOM 318 CA HIS A 21 -9.938 -28.706 -23.754 1.00 0.00 C ATOM 319 C HIS A 21 -10.745 -29.799 -24.447 1.00 0.00 C ATOM 320 O HIS A 21 -10.446 -30.986 -24.312 1.00 0.00 O ATOM 321 CB HIS A 21 -8.456 -28.848 -24.107 1.00 0.00 C ATOM 322 CG HIS A 21 -8.178 -28.731 -25.573 1.00 0.00 C ATOM 323 ND1 HIS A 21 -9.096 -28.239 -26.477 1.00 0.00 N ATOM 324 CD2 HIS A 21 -7.075 -29.043 -26.294 1.00 0.00 C ATOM 325 CE1 HIS A 21 -8.572 -28.255 -27.689 1.00 0.00 C ATOM 326 NE2 HIS A 21 -7.346 -28.738 -27.606 1.00 0.00 N ATOM 0 H HIS A 21 -10.571 -27.936 -21.910 1.00 0.00 H new ATOM 0 HA HIS A 21 -10.294 -27.737 -24.104 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -7.889 -28.084 -23.576 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -8.097 -29.815 -23.753 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -6.154 -29.455 -25.909 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -9.063 -27.929 -28.594 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -6.704 -28.864 -28.389 1.00 0.00 H new ATOM 335 N SER A 22 -11.769 -29.390 -25.189 1.00 0.00 N ATOM 336 CA SER A 22 -12.620 -30.335 -25.902 1.00 0.00 C ATOM 337 C SER A 22 -12.149 -30.514 -27.342 1.00 0.00 C ATOM 338 O SER A 22 -11.220 -29.841 -27.790 1.00 0.00 O ATOM 339 CB SER A 22 -14.074 -29.858 -25.884 1.00 0.00 C ATOM 340 OG SER A 22 -14.700 -30.175 -24.653 1.00 0.00 O ATOM 0 H SER A 22 -12.029 -28.411 -25.312 1.00 0.00 H new ATOM 0 HA SER A 22 -12.554 -31.298 -25.396 1.00 0.00 H new ATOM 0 HB2 SER A 22 -14.109 -28.781 -26.046 1.00 0.00 H new ATOM 0 HB3 SER A 22 -14.622 -30.322 -26.704 1.00 0.00 H new ATOM 0 HG SER A 22 -15.627 -29.858 -24.666 1.00 0.00 H new ATOM 346 N PHE A 23 -12.796 -31.425 -28.062 1.00 0.00 N ATOM 347 CA PHE A 23 -12.445 -31.693 -29.451 1.00 0.00 C ATOM 348 C PHE A 23 -11.005 -32.183 -29.563 1.00 0.00 C ATOM 349 O PHE A 23 -10.109 -31.427 -29.941 1.00 0.00 O ATOM 350 CB PHE A 23 -12.637 -30.436 -30.300 1.00 0.00 C ATOM 351 CG PHE A 23 -12.910 -30.728 -31.749 1.00 0.00 C ATOM 352 CD1 PHE A 23 -13.877 -31.651 -32.113 1.00 0.00 C ATOM 353 CD2 PHE A 23 -12.198 -30.078 -32.745 1.00 0.00 C ATOM 354 CE1 PHE A 23 -14.129 -31.921 -33.444 1.00 0.00 C ATOM 355 CE2 PHE A 23 -12.448 -30.345 -34.078 1.00 0.00 C ATOM 356 CZ PHE A 23 -13.414 -31.267 -34.428 1.00 0.00 C ATOM 0 H PHE A 23 -13.567 -31.990 -27.706 1.00 0.00 H new ATOM 0 HA PHE A 23 -13.106 -32.476 -29.822 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -13.464 -29.855 -29.892 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -11.744 -29.816 -30.224 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -14.440 -32.165 -31.348 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -11.441 -29.356 -32.477 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -14.885 -32.643 -33.715 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -11.888 -29.832 -34.846 1.00 0.00 H new ATOM 0 HZ PHE A 23 -13.610 -31.476 -35.469 1.00 0.00 H new ATOM 366 N ASP A 24 -10.789 -33.451 -29.233 1.00 0.00 N ATOM 367 CA ASP A 24 -9.458 -34.043 -29.298 1.00 0.00 C ATOM 368 C ASP A 24 -9.514 -35.447 -29.901 1.00 0.00 C ATOM 369 O ASP A 24 -9.175 -36.429 -29.241 1.00 0.00 O ATOM 370 CB ASP A 24 -8.834 -34.097 -27.902 1.00 0.00 C ATOM 371 CG ASP A 24 -9.748 -34.753 -26.886 1.00 0.00 C ATOM 372 OD1 ASP A 24 -10.664 -35.494 -27.302 1.00 0.00 O ATOM 373 OD2 ASP A 24 -9.548 -34.526 -25.674 1.00 0.00 O ATOM 0 H ASP A 24 -11.519 -34.090 -28.917 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.839 -33.417 -29.941 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.893 -34.646 -27.948 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -8.597 -33.085 -27.574 1.00 0.00 H new ATOM 378 N PRO A 25 -9.944 -35.559 -31.171 1.00 0.00 N ATOM 379 CA PRO A 25 -10.042 -36.851 -31.859 1.00 0.00 C ATOM 380 C PRO A 25 -8.717 -37.604 -31.869 1.00 0.00 C ATOM 381 O PRO A 25 -8.689 -38.833 -31.805 1.00 0.00 O ATOM 382 CB PRO A 25 -10.449 -36.472 -33.286 1.00 0.00 C ATOM 383 CG PRO A 25 -11.080 -35.129 -33.162 1.00 0.00 C ATOM 384 CD PRO A 25 -10.368 -34.441 -32.032 1.00 0.00 C ATOM 0 HA PRO A 25 -10.748 -37.519 -31.365 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -9.584 -36.442 -33.949 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.146 -37.199 -33.704 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.980 -34.564 -34.088 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -12.147 -35.216 -32.956 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -9.516 -33.860 -32.387 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -11.025 -33.752 -31.502 1.00 0.00 H new ATOM 392 N PHE A 26 -7.617 -36.861 -31.953 1.00 0.00 N ATOM 393 CA PHE A 26 -6.288 -37.461 -31.976 1.00 0.00 C ATOM 394 C PHE A 26 -5.514 -37.125 -30.706 1.00 0.00 C ATOM 395 O PHE A 26 -5.176 -38.011 -29.920 1.00 0.00 O ATOM 396 CB PHE A 26 -5.507 -36.982 -33.202 1.00 0.00 C ATOM 397 CG PHE A 26 -6.336 -36.902 -34.453 1.00 0.00 C ATOM 398 CD1 PHE A 26 -7.078 -35.766 -34.736 1.00 0.00 C ATOM 399 CD2 PHE A 26 -6.372 -37.961 -35.345 1.00 0.00 C ATOM 400 CE1 PHE A 26 -7.842 -35.690 -35.885 1.00 0.00 C ATOM 401 CE2 PHE A 26 -7.134 -37.890 -36.496 1.00 0.00 C ATOM 402 CZ PHE A 26 -7.869 -36.753 -36.766 1.00 0.00 C ATOM 0 H PHE A 26 -7.620 -35.842 -32.006 1.00 0.00 H new ATOM 0 HA PHE A 26 -6.410 -38.543 -32.031 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.086 -35.999 -32.992 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.669 -37.657 -33.375 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.059 -34.931 -34.051 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -5.798 -38.852 -35.139 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -8.417 -34.800 -36.094 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -7.154 -38.723 -37.183 1.00 0.00 H new ATOM 0 HZ PHE A 26 -8.464 -36.695 -37.665 1.00 0.00 H new ATOM 412 N ALA A 27 -5.232 -35.840 -30.511 1.00 0.00 N ATOM 413 CA ALA A 27 -4.494 -35.387 -29.337 1.00 0.00 C ATOM 414 C ALA A 27 -3.085 -35.972 -29.321 1.00 0.00 C ATOM 415 O ALA A 27 -2.650 -36.546 -28.322 1.00 0.00 O ATOM 416 CB ALA A 27 -5.242 -35.762 -28.066 1.00 0.00 C ATOM 0 H ALA A 27 -5.504 -35.094 -31.151 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.409 -34.301 -29.384 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.680 -35.418 -27.198 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.226 -35.292 -28.071 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -5.357 -36.845 -28.018 1.00 0.00 H new ATOM 422 N ASP A 28 -2.377 -35.821 -30.435 1.00 0.00 N ATOM 423 CA ASP A 28 -1.016 -36.334 -30.553 1.00 0.00 C ATOM 424 C ASP A 28 -0.002 -35.343 -29.987 1.00 0.00 C ATOM 425 O ASP A 28 1.095 -35.727 -29.584 1.00 0.00 O ATOM 426 CB ASP A 28 -0.689 -36.635 -32.016 1.00 0.00 C ATOM 427 CG ASP A 28 -1.375 -37.892 -32.515 1.00 0.00 C ATOM 428 OD1 ASP A 28 -2.620 -37.955 -32.449 1.00 0.00 O ATOM 429 OD2 ASP A 28 -0.667 -38.813 -32.973 1.00 0.00 O ATOM 0 H ASP A 28 -2.723 -35.347 -31.270 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.953 -37.255 -29.974 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.991 -35.790 -32.634 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.390 -36.744 -32.129 1.00 0.00 H new ATOM 434 N ALA A 29 -0.374 -34.066 -29.962 1.00 0.00 N ATOM 435 CA ALA A 29 0.506 -33.022 -29.447 1.00 0.00 C ATOM 436 C ALA A 29 0.983 -33.347 -28.034 1.00 0.00 C ATOM 437 O ALA A 29 0.203 -33.315 -27.082 1.00 0.00 O ATOM 438 CB ALA A 29 -0.204 -31.677 -29.468 1.00 0.00 C ATOM 0 H ALA A 29 -1.279 -33.730 -30.292 1.00 0.00 H new ATOM 0 HA ALA A 29 1.382 -32.971 -30.094 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.464 -30.907 -29.081 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -0.487 -31.431 -30.491 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.098 -31.728 -28.846 1.00 0.00 H new ATOM 444 N SER A 30 2.269 -33.661 -27.907 1.00 0.00 N ATOM 445 CA SER A 30 2.851 -33.993 -26.613 1.00 0.00 C ATOM 446 C SER A 30 3.590 -32.793 -26.026 1.00 0.00 C ATOM 447 O SER A 30 3.502 -32.523 -24.828 1.00 0.00 O ATOM 448 CB SER A 30 3.804 -35.182 -26.749 1.00 0.00 C ATOM 449 OG SER A 30 3.234 -36.357 -26.201 1.00 0.00 O ATOM 0 H SER A 30 2.927 -33.692 -28.686 1.00 0.00 H new ATOM 0 HA SER A 30 2.041 -34.264 -25.935 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.040 -35.345 -27.801 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.743 -34.959 -26.243 1.00 0.00 H new ATOM 0 HG SER A 30 3.862 -37.103 -26.302 1.00 0.00 H new ATOM 455 N LYS A 31 4.318 -32.079 -26.877 1.00 0.00 N ATOM 456 CA LYS A 31 5.073 -30.910 -26.444 1.00 0.00 C ATOM 457 C LYS A 31 5.251 -29.920 -27.591 1.00 0.00 C ATOM 458 O LYS A 31 6.049 -30.145 -28.501 1.00 0.00 O ATOM 459 CB LYS A 31 6.441 -31.331 -25.903 1.00 0.00 C ATOM 460 CG LYS A 31 7.193 -32.279 -26.824 1.00 0.00 C ATOM 461 CD LYS A 31 8.683 -31.973 -26.844 1.00 0.00 C ATOM 462 CE LYS A 31 9.422 -32.727 -25.751 1.00 0.00 C ATOM 463 NZ LYS A 31 10.109 -33.938 -26.280 1.00 0.00 N ATOM 0 H LYS A 31 4.401 -32.290 -27.872 1.00 0.00 H new ATOM 0 HA LYS A 31 4.510 -30.421 -25.649 1.00 0.00 H new ATOM 0 HB2 LYS A 31 7.047 -30.440 -25.738 1.00 0.00 H new ATOM 0 HB3 LYS A 31 6.307 -31.810 -24.933 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.036 -33.307 -26.497 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.791 -32.201 -27.834 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.097 -32.241 -27.816 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.837 -30.902 -26.716 1.00 0.00 H new ATOM 0 HE2 LYS A 31 10.155 -32.067 -25.287 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.718 -33.020 -24.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.601 -34.425 -25.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 9.407 -34.580 -26.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 10.799 -33.657 -27.005 1.00 0.00 H new ATOM 477 N GLY A 32 4.500 -28.824 -27.542 1.00 0.00 N ATOM 478 CA GLY A 32 4.590 -27.818 -28.584 1.00 0.00 C ATOM 479 C GLY A 32 4.363 -26.416 -28.057 1.00 0.00 C ATOM 480 O GLY A 32 5.288 -25.604 -28.011 1.00 0.00 O ATOM 0 H GLY A 32 3.832 -28.615 -26.800 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.573 -27.872 -29.053 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.855 -28.035 -29.359 1.00 0.00 H new ATOM 484 N ASP A 33 3.128 -26.128 -27.659 1.00 0.00 N ATOM 485 CA ASP A 33 2.782 -24.812 -27.132 1.00 0.00 C ATOM 486 C ASP A 33 1.393 -24.829 -26.499 1.00 0.00 C ATOM 487 O ASP A 33 0.624 -23.877 -26.640 1.00 0.00 O ATOM 488 CB ASP A 33 2.836 -23.764 -28.245 1.00 0.00 C ATOM 489 CG ASP A 33 3.045 -22.361 -27.709 1.00 0.00 C ATOM 490 OD1 ASP A 33 2.228 -21.916 -26.876 1.00 0.00 O ATOM 491 OD2 ASP A 33 4.027 -21.709 -28.122 1.00 0.00 O ATOM 0 H ASP A 33 2.350 -26.787 -27.691 1.00 0.00 H new ATOM 0 HA ASP A 33 3.509 -24.552 -26.363 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.644 -24.011 -28.934 1.00 0.00 H new ATOM 0 HB3 ASP A 33 1.909 -23.797 -28.817 1.00 0.00 H new ATOM 496 N ASP A 34 1.080 -25.915 -25.801 1.00 0.00 N ATOM 497 CA ASP A 34 -0.216 -26.055 -25.146 1.00 0.00 C ATOM 498 C ASP A 34 -0.431 -24.944 -24.124 1.00 0.00 C ATOM 499 O ASP A 34 -1.280 -24.072 -24.310 1.00 0.00 O ATOM 500 CB ASP A 34 -0.321 -27.420 -24.465 1.00 0.00 C ATOM 501 CG ASP A 34 -0.471 -28.555 -25.460 1.00 0.00 C ATOM 502 OD1 ASP A 34 -0.061 -28.378 -26.626 1.00 0.00 O ATOM 503 OD2 ASP A 34 -0.999 -29.618 -25.073 1.00 0.00 O ATOM 0 H ASP A 34 1.705 -26.711 -25.674 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.992 -25.977 -25.908 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.568 -27.589 -23.857 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -1.175 -27.420 -23.787 1.00 0.00 H new ATOM 508 N LEU A 35 0.341 -24.982 -23.044 1.00 0.00 N ATOM 509 CA LEU A 35 0.234 -23.977 -21.993 1.00 0.00 C ATOM 510 C LEU A 35 1.212 -22.831 -22.234 1.00 0.00 C ATOM 511 O LEU A 35 2.416 -23.048 -22.373 1.00 0.00 O ATOM 512 CB LEU A 35 0.495 -24.609 -20.623 1.00 0.00 C ATOM 513 CG LEU A 35 -0.450 -24.154 -19.510 1.00 0.00 C ATOM 514 CD1 LEU A 35 -0.361 -22.647 -19.318 1.00 0.00 C ATOM 515 CD2 LEU A 35 -1.880 -24.571 -19.820 1.00 0.00 C ATOM 0 H LEU A 35 1.048 -25.698 -22.873 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.779 -23.575 -22.011 1.00 0.00 H new ATOM 0 HB2 LEU A 35 0.423 -25.692 -20.720 1.00 0.00 H new ATOM 0 HB3 LEU A 35 1.519 -24.383 -20.325 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.146 -24.637 -18.581 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.040 -22.341 -18.522 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.659 -22.374 -19.049 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.639 -22.145 -20.245 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -2.538 -24.239 -19.017 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.196 -24.117 -20.759 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.932 -25.656 -19.906 1.00 0.00 H new ATOM 527 N LEU A 36 0.687 -21.612 -22.281 1.00 0.00 N ATOM 528 CA LEU A 36 1.513 -20.432 -22.506 1.00 0.00 C ATOM 529 C LEU A 36 2.508 -20.240 -21.363 1.00 0.00 C ATOM 530 O LEU A 36 2.248 -20.640 -20.229 1.00 0.00 O ATOM 531 CB LEU A 36 0.635 -19.187 -22.645 1.00 0.00 C ATOM 532 CG LEU A 36 -0.506 -19.309 -23.655 1.00 0.00 C ATOM 533 CD1 LEU A 36 -1.405 -18.084 -23.593 1.00 0.00 C ATOM 534 CD2 LEU A 36 0.045 -19.497 -25.060 1.00 0.00 C ATOM 0 H LEU A 36 -0.307 -21.415 -22.166 1.00 0.00 H new ATOM 0 HA LEU A 36 2.070 -20.580 -23.431 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.212 -18.949 -21.669 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.266 -18.346 -22.933 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.101 -20.185 -23.399 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.212 -18.188 -24.319 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.827 -17.992 -22.592 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.822 -17.193 -23.824 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.781 -19.582 -25.766 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.663 -18.640 -25.326 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.648 -20.404 -25.096 1.00 0.00 H new ATOM 546 N PRO A 37 3.668 -19.623 -21.651 1.00 0.00 N ATOM 547 CA PRO A 37 4.704 -19.380 -20.642 1.00 0.00 C ATOM 548 C PRO A 37 4.270 -18.350 -19.605 1.00 0.00 C ATOM 549 O PRO A 37 4.636 -18.443 -18.433 1.00 0.00 O ATOM 550 CB PRO A 37 5.885 -18.852 -21.460 1.00 0.00 C ATOM 551 CG PRO A 37 5.268 -18.272 -22.688 1.00 0.00 C ATOM 552 CD PRO A 37 4.058 -19.115 -22.980 1.00 0.00 C ATOM 0 HA PRO A 37 4.935 -20.279 -20.071 1.00 0.00 H new ATOM 0 HB2 PRO A 37 6.445 -18.099 -20.905 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.584 -19.651 -21.708 1.00 0.00 H new ATOM 0 HG2 PRO A 37 4.989 -17.230 -22.530 1.00 0.00 H new ATOM 0 HG3 PRO A 37 5.968 -18.291 -23.523 1.00 0.00 H new ATOM 0 HD2 PRO A 37 3.260 -18.529 -23.436 1.00 0.00 H new ATOM 0 HD3 PRO A 37 4.291 -19.927 -23.669 1.00 0.00 H new ATOM 560 N ALA A 38 3.491 -17.368 -20.043 1.00 0.00 N ATOM 561 CA ALA A 38 3.007 -16.319 -19.153 1.00 0.00 C ATOM 562 C ALA A 38 2.066 -15.368 -19.885 1.00 0.00 C ATOM 563 O ALA A 38 2.447 -14.736 -20.869 1.00 0.00 O ATOM 564 CB ALA A 38 4.177 -15.552 -18.558 1.00 0.00 C ATOM 0 H ALA A 38 3.181 -17.276 -21.010 1.00 0.00 H new ATOM 0 HA ALA A 38 2.447 -16.791 -18.346 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.802 -14.772 -17.896 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.810 -16.235 -17.992 1.00 0.00 H new ATOM 0 HB3 ALA A 38 4.760 -15.098 -19.359 1.00 0.00 H new ATOM 570 N GLY A 39 0.832 -15.273 -19.397 1.00 0.00 N ATOM 571 CA GLY A 39 -0.145 -14.395 -20.017 1.00 0.00 C ATOM 572 C GLY A 39 -0.699 -13.365 -19.050 1.00 0.00 C ATOM 573 O GLY A 39 -1.771 -12.805 -19.279 1.00 0.00 O ATOM 0 H GLY A 39 0.492 -15.787 -18.585 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.316 -13.884 -20.862 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.965 -14.993 -20.415 1.00 0.00 H new ATOM 577 N THR A 40 0.035 -13.112 -17.971 1.00 0.00 N ATOM 578 CA THR A 40 -0.386 -12.139 -16.967 1.00 0.00 C ATOM 579 C THR A 40 0.726 -11.890 -15.953 1.00 0.00 C ATOM 580 O THR A 40 0.933 -10.761 -15.511 1.00 0.00 O ATOM 581 CB THR A 40 -1.645 -12.621 -16.245 1.00 0.00 C ATOM 582 OG1 THR A 40 -1.677 -14.036 -16.181 1.00 0.00 O ATOM 583 CG2 THR A 40 -2.928 -12.160 -16.903 1.00 0.00 C ATOM 0 H THR A 40 0.925 -13.567 -17.769 1.00 0.00 H new ATOM 0 HA THR A 40 -0.608 -11.204 -17.481 1.00 0.00 H new ATOM 0 HB THR A 40 -1.591 -12.183 -15.248 1.00 0.00 H new ATOM 0 HG1 THR A 40 -2.489 -14.324 -15.714 1.00 0.00 H new ATOM 0 HG21 THR A 40 -3.782 -12.537 -16.340 1.00 0.00 H new ATOM 0 HG22 THR A 40 -2.957 -11.071 -16.920 1.00 0.00 H new ATOM 0 HG23 THR A 40 -2.970 -12.540 -17.924 1.00 0.00 H new ATOM 591 N GLU A 41 1.437 -12.954 -15.585 1.00 0.00 N ATOM 592 CA GLU A 41 2.529 -12.853 -14.622 1.00 0.00 C ATOM 593 C GLU A 41 2.028 -12.413 -13.247 1.00 0.00 C ATOM 594 O GLU A 41 2.821 -12.030 -12.386 1.00 0.00 O ATOM 595 CB GLU A 41 3.594 -11.880 -15.128 1.00 0.00 C ATOM 596 CG GLU A 41 4.936 -12.537 -15.406 1.00 0.00 C ATOM 597 CD GLU A 41 6.060 -11.529 -15.547 1.00 0.00 C ATOM 598 OE1 GLU A 41 6.045 -10.758 -16.528 1.00 0.00 O ATOM 599 OE2 GLU A 41 6.956 -11.513 -14.677 1.00 0.00 O ATOM 0 H GLU A 41 1.275 -13.896 -15.940 1.00 0.00 H new ATOM 0 HA GLU A 41 2.969 -13.845 -14.516 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.236 -11.405 -16.041 1.00 0.00 H new ATOM 0 HB3 GLU A 41 3.732 -11.090 -14.390 1.00 0.00 H new ATOM 0 HG2 GLU A 41 5.172 -13.229 -14.597 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.865 -13.127 -16.320 1.00 0.00 H new ATOM 606 N ASP A 42 0.714 -12.471 -13.042 1.00 0.00 N ATOM 607 CA ASP A 42 0.119 -12.079 -11.767 1.00 0.00 C ATOM 608 C ASP A 42 0.667 -10.736 -11.297 1.00 0.00 C ATOM 609 O ASP A 42 1.274 -10.638 -10.231 1.00 0.00 O ATOM 610 CB ASP A 42 0.384 -13.150 -10.708 1.00 0.00 C ATOM 611 CG ASP A 42 -0.717 -13.222 -9.669 1.00 0.00 C ATOM 612 OD1 ASP A 42 -0.932 -12.217 -8.960 1.00 0.00 O ATOM 613 OD2 ASP A 42 -1.366 -14.285 -9.564 1.00 0.00 O ATOM 0 H ASP A 42 0.042 -12.785 -13.742 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.956 -11.978 -11.913 1.00 0.00 H new ATOM 0 HB2 ASP A 42 0.485 -14.120 -11.194 1.00 0.00 H new ATOM 0 HB3 ASP A 42 1.333 -12.941 -10.214 1.00 0.00 H new ATOM 618 N TYR A 43 0.451 -9.707 -12.104 1.00 0.00 N ATOM 619 CA TYR A 43 0.924 -8.368 -11.778 1.00 0.00 C ATOM 620 C TYR A 43 0.296 -7.866 -10.482 1.00 0.00 C ATOM 621 O TYR A 43 -0.589 -8.510 -9.919 1.00 0.00 O ATOM 622 CB TYR A 43 0.601 -7.404 -12.921 1.00 0.00 C ATOM 623 CG TYR A 43 1.164 -7.830 -14.262 1.00 0.00 C ATOM 624 CD1 TYR A 43 2.348 -8.556 -14.349 1.00 0.00 C ATOM 625 CD2 TYR A 43 0.514 -7.495 -15.443 1.00 0.00 C ATOM 626 CE1 TYR A 43 2.865 -8.933 -15.574 1.00 0.00 C ATOM 627 CE2 TYR A 43 1.024 -7.872 -16.671 1.00 0.00 C ATOM 628 CZ TYR A 43 2.199 -8.590 -16.731 1.00 0.00 C ATOM 629 OH TYR A 43 2.711 -8.964 -17.952 1.00 0.00 O ATOM 0 H TYR A 43 -0.049 -9.773 -12.990 1.00 0.00 H new ATOM 0 HA TYR A 43 2.004 -8.414 -11.640 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.481 -7.307 -13.007 1.00 0.00 H new ATOM 0 HB3 TYR A 43 0.990 -6.417 -12.672 1.00 0.00 H new ATOM 0 HD1 TYR A 43 2.871 -8.829 -13.445 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.406 -6.930 -15.401 1.00 0.00 H new ATOM 0 HE1 TYR A 43 3.787 -9.494 -15.624 1.00 0.00 H new ATOM 0 HE2 TYR A 43 0.504 -7.605 -17.579 1.00 0.00 H new ATOM 0 HH TYR A 43 2.120 -8.645 -18.666 1.00 0.00 H new ATOM 639 N ILE A 44 0.754 -6.707 -10.019 1.00 0.00 N ATOM 640 CA ILE A 44 0.231 -6.112 -8.795 1.00 0.00 C ATOM 641 C ILE A 44 -0.578 -4.861 -9.122 1.00 0.00 C ATOM 642 O ILE A 44 -0.023 -3.777 -9.308 1.00 0.00 O ATOM 643 CB ILE A 44 1.362 -5.762 -7.802 1.00 0.00 C ATOM 644 CG1 ILE A 44 2.156 -7.016 -7.426 1.00 0.00 C ATOM 645 CG2 ILE A 44 0.799 -5.107 -6.548 1.00 0.00 C ATOM 646 CD1 ILE A 44 1.285 -8.191 -7.038 1.00 0.00 C ATOM 0 H ILE A 44 1.486 -6.161 -10.473 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.416 -6.849 -8.320 1.00 0.00 H new ATOM 0 HB ILE A 44 2.032 -5.055 -8.292 1.00 0.00 H new ATOM 0 HG12 ILE A 44 2.785 -7.303 -8.268 1.00 0.00 H new ATOM 0 HG13 ILE A 44 2.822 -6.779 -6.597 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.614 -4.870 -5.864 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.275 -4.191 -6.820 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.104 -5.791 -6.061 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.915 -9.043 -6.785 1.00 0.00 H new ATOM 0 HD12 ILE A 44 0.674 -7.922 -6.176 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.637 -8.455 -7.874 1.00 0.00 H new ATOM 658 N HIS A 45 -1.891 -5.029 -9.211 1.00 0.00 N ATOM 659 CA HIS A 45 -2.794 -3.932 -9.539 1.00 0.00 C ATOM 660 C HIS A 45 -2.886 -2.912 -8.408 1.00 0.00 C ATOM 661 O HIS A 45 -3.343 -3.225 -7.309 1.00 0.00 O ATOM 662 CB HIS A 45 -4.185 -4.482 -9.852 1.00 0.00 C ATOM 663 CG HIS A 45 -4.655 -4.176 -11.238 1.00 0.00 C ATOM 664 ND1 HIS A 45 -4.395 -4.989 -12.321 1.00 0.00 N ATOM 665 CD2 HIS A 45 -5.383 -3.139 -11.716 1.00 0.00 C ATOM 666 CE1 HIS A 45 -4.941 -4.466 -13.404 1.00 0.00 C ATOM 667 NE2 HIS A 45 -5.548 -3.344 -13.063 1.00 0.00 N ATOM 0 H HIS A 45 -2.358 -5.923 -9.059 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.390 -3.422 -10.414 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.179 -5.563 -9.710 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -4.898 -4.071 -9.137 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.864 -5.859 -12.290 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -5.763 -2.306 -11.144 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -4.898 -4.885 -14.399 1.00 0.00 H new ATOM 676 N ILE A 46 -2.466 -1.686 -8.699 1.00 0.00 N ATOM 677 CA ILE A 46 -2.520 -0.605 -7.717 1.00 0.00 C ATOM 678 C ILE A 46 -3.947 -0.037 -7.625 1.00 0.00 C ATOM 679 O ILE A 46 -4.791 -0.610 -6.937 1.00 0.00 O ATOM 680 CB ILE A 46 -1.517 0.520 -8.061 1.00 0.00 C ATOM 681 CG1 ILE A 46 -0.097 -0.046 -8.161 1.00 0.00 C ATOM 682 CG2 ILE A 46 -1.579 1.630 -7.022 1.00 0.00 C ATOM 683 CD1 ILE A 46 0.453 -0.550 -6.844 1.00 0.00 C ATOM 0 H ILE A 46 -2.085 -1.414 -9.605 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.240 -1.019 -6.749 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.790 0.943 -9.028 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.091 -0.863 -8.883 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.566 0.727 -8.549 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -0.866 2.412 -7.282 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.585 2.050 -6.997 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.331 1.224 -6.041 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.461 -0.935 -6.994 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.481 0.268 -6.124 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.187 -1.346 -6.463 1.00 0.00 H new ATOM 695 N ARG A 47 -4.220 1.072 -8.333 1.00 0.00 N ATOM 696 CA ARG A 47 -5.548 1.694 -8.344 1.00 0.00 C ATOM 697 C ARG A 47 -5.706 2.721 -7.229 1.00 0.00 C ATOM 698 O ARG A 47 -5.385 2.460 -6.070 1.00 0.00 O ATOM 699 CB ARG A 47 -6.656 0.639 -8.239 1.00 0.00 C ATOM 700 CG ARG A 47 -7.994 1.107 -8.792 1.00 0.00 C ATOM 701 CD ARG A 47 -8.503 0.192 -9.895 1.00 0.00 C ATOM 702 NE ARG A 47 -8.654 0.899 -11.166 1.00 0.00 N ATOM 703 CZ ARG A 47 -9.536 1.875 -11.370 1.00 0.00 C ATOM 704 NH1 ARG A 47 -10.345 2.265 -10.393 1.00 0.00 N ATOM 705 NH2 ARG A 47 -9.608 2.463 -12.557 1.00 0.00 N ATOM 0 H ARG A 47 -3.531 1.556 -8.908 1.00 0.00 H new ATOM 0 HA ARG A 47 -5.642 2.212 -9.298 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -6.344 -0.258 -8.774 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.782 0.359 -7.193 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.726 1.146 -7.986 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.892 2.121 -9.179 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.812 -0.641 -10.023 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -9.463 -0.233 -9.600 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.049 0.629 -11.941 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.293 1.816 -9.478 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -11.018 3.014 -10.557 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.988 2.167 -13.311 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.283 3.211 -12.715 1.00 0.00 H new ATOM 719 N ILE A 48 -6.217 3.893 -7.599 1.00 0.00 N ATOM 720 CA ILE A 48 -6.441 4.978 -6.653 1.00 0.00 C ATOM 721 C ILE A 48 -7.939 5.247 -6.499 1.00 0.00 C ATOM 722 O ILE A 48 -8.727 4.941 -7.394 1.00 0.00 O ATOM 723 CB ILE A 48 -5.717 6.272 -7.109 1.00 0.00 C ATOM 724 CG1 ILE A 48 -4.358 6.395 -6.417 1.00 0.00 C ATOM 725 CG2 ILE A 48 -6.561 7.514 -6.839 1.00 0.00 C ATOM 726 CD1 ILE A 48 -3.594 7.641 -6.808 1.00 0.00 C ATOM 0 H ILE A 48 -6.485 4.114 -8.558 1.00 0.00 H new ATOM 0 HA ILE A 48 -6.031 4.675 -5.690 1.00 0.00 H new ATOM 0 HB ILE A 48 -5.563 6.202 -8.186 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.507 6.393 -5.337 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.756 5.519 -6.657 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -6.021 8.400 -7.172 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -7.503 7.438 -7.381 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.763 7.592 -5.771 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -2.641 7.664 -6.280 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.414 7.635 -7.883 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -4.177 8.523 -6.543 1.00 0.00 H new ATOM 738 N GLN A 49 -8.325 5.824 -5.365 1.00 0.00 N ATOM 739 CA GLN A 49 -9.728 6.135 -5.109 1.00 0.00 C ATOM 740 C GLN A 49 -9.870 7.456 -4.360 1.00 0.00 C ATOM 741 O GLN A 49 -9.779 7.502 -3.133 1.00 0.00 O ATOM 742 CB GLN A 49 -10.395 5.004 -4.324 1.00 0.00 C ATOM 743 CG GLN A 49 -9.793 4.775 -2.949 1.00 0.00 C ATOM 744 CD GLN A 49 -9.717 3.305 -2.584 1.00 0.00 C ATOM 745 OE1 GLN A 49 -9.240 2.483 -3.367 1.00 0.00 O ATOM 746 NE2 GLN A 49 -10.190 2.965 -1.391 1.00 0.00 N ATOM 0 H GLN A 49 -7.689 6.085 -4.611 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.230 6.235 -6.071 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -11.456 5.228 -4.213 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -10.322 4.082 -4.901 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -8.792 5.206 -2.918 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.389 5.301 -2.203 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.577 3.679 -0.773 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -10.167 1.990 -1.092 1.00 0.00 H new ATOM 755 N GLN A 50 -10.097 8.531 -5.111 1.00 0.00 N ATOM 756 CA GLN A 50 -10.257 9.859 -4.529 1.00 0.00 C ATOM 757 C GLN A 50 -11.734 10.225 -4.424 1.00 0.00 C ATOM 758 O GLN A 50 -12.340 10.684 -5.392 1.00 0.00 O ATOM 759 CB GLN A 50 -9.511 10.901 -5.372 1.00 0.00 C ATOM 760 CG GLN A 50 -8.500 11.725 -4.587 1.00 0.00 C ATOM 761 CD GLN A 50 -7.223 11.972 -5.366 1.00 0.00 C ATOM 762 OE1 GLN A 50 -6.813 11.150 -6.185 1.00 0.00 O ATOM 763 NE2 GLN A 50 -6.589 13.110 -5.113 1.00 0.00 N ATOM 0 H GLN A 50 -10.174 8.507 -6.128 1.00 0.00 H new ATOM 0 HA GLN A 50 -9.832 9.849 -3.525 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.995 10.392 -6.187 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.238 11.574 -5.826 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -8.947 12.681 -4.316 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.261 11.210 -3.657 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -6.966 13.762 -4.425 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.724 13.333 -5.606 1.00 0.00 H new ATOM 772 N ARG A 51 -12.309 10.018 -3.242 1.00 0.00 N ATOM 773 CA ARG A 51 -13.719 10.325 -3.012 1.00 0.00 C ATOM 774 C ARG A 51 -14.017 11.777 -3.365 1.00 0.00 C ATOM 775 O ARG A 51 -15.106 12.104 -3.839 1.00 0.00 O ATOM 776 CB ARG A 51 -14.090 10.056 -1.552 1.00 0.00 C ATOM 777 CG ARG A 51 -13.630 8.696 -1.049 1.00 0.00 C ATOM 778 CD ARG A 51 -14.799 7.855 -0.562 1.00 0.00 C ATOM 779 NE ARG A 51 -15.613 8.565 0.421 1.00 0.00 N ATOM 780 CZ ARG A 51 -16.858 8.219 0.743 1.00 0.00 C ATOM 781 NH1 ARG A 51 -17.434 7.173 0.164 1.00 0.00 N ATOM 782 NH2 ARG A 51 -17.528 8.920 1.648 1.00 0.00 N ATOM 0 H ARG A 51 -11.822 9.640 -2.430 1.00 0.00 H new ATOM 0 HA ARG A 51 -14.318 9.680 -3.655 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -13.653 10.833 -0.925 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -15.172 10.128 -1.441 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -13.110 8.169 -1.849 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.915 8.830 -0.238 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -15.421 7.573 -1.411 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -14.423 6.932 -0.122 1.00 0.00 H new ATOM 0 HE ARG A 51 -15.204 9.374 0.889 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -16.923 6.629 -0.532 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -18.388 6.913 0.415 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -17.090 9.724 2.097 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -18.482 8.655 1.895 1.00 0.00 H new ATOM 796 N ASN A 52 -13.036 12.642 -3.137 1.00 0.00 N ATOM 797 CA ASN A 52 -13.176 14.062 -3.433 1.00 0.00 C ATOM 798 C ASN A 52 -11.957 14.552 -4.212 1.00 0.00 C ATOM 799 O ASN A 52 -11.324 13.778 -4.932 1.00 0.00 O ATOM 800 CB ASN A 52 -13.340 14.864 -2.135 1.00 0.00 C ATOM 801 CG ASN A 52 -14.178 14.139 -1.099 1.00 0.00 C ATOM 802 OD1 ASN A 52 -15.278 13.669 -1.390 1.00 0.00 O ATOM 803 ND2 ASN A 52 -13.658 14.047 0.120 1.00 0.00 N ATOM 0 H ASN A 52 -12.130 12.383 -2.746 1.00 0.00 H new ATOM 0 HA ASN A 52 -14.067 14.210 -4.043 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -12.356 15.075 -1.717 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -13.802 15.824 -2.362 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -14.174 13.572 0.860 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -12.742 14.452 0.316 1.00 0.00 H new ATOM 810 N GLY A 53 -11.620 15.832 -4.065 1.00 0.00 N ATOM 811 CA GLY A 53 -10.470 16.374 -4.760 1.00 0.00 C ATOM 812 C GLY A 53 -9.197 16.262 -3.943 1.00 0.00 C ATOM 813 O GLY A 53 -8.295 17.090 -4.072 1.00 0.00 O ATOM 0 H GLY A 53 -12.122 16.499 -3.479 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.339 15.848 -5.706 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.654 17.421 -5.000 1.00 0.00 H new ATOM 817 N ARG A 54 -9.123 15.235 -3.099 1.00 0.00 N ATOM 818 CA ARG A 54 -7.951 15.018 -2.260 1.00 0.00 C ATOM 819 C ARG A 54 -8.093 13.752 -1.419 1.00 0.00 C ATOM 820 O ARG A 54 -7.104 13.074 -1.139 1.00 0.00 O ATOM 821 CB ARG A 54 -7.718 16.225 -1.348 1.00 0.00 C ATOM 822 CG ARG A 54 -8.868 16.497 -0.393 1.00 0.00 C ATOM 823 CD ARG A 54 -8.680 17.813 0.345 1.00 0.00 C ATOM 824 NE ARG A 54 -9.397 18.910 -0.300 1.00 0.00 N ATOM 825 CZ ARG A 54 -9.170 20.196 -0.043 1.00 0.00 C ATOM 826 NH1 ARG A 54 -8.250 20.551 0.845 1.00 0.00 N ATOM 827 NH2 ARG A 54 -9.865 21.131 -0.676 1.00 0.00 N ATOM 0 H ARG A 54 -9.861 14.541 -2.979 1.00 0.00 H new ATOM 0 HA ARG A 54 -7.092 14.893 -2.919 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -6.808 16.063 -0.771 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -7.552 17.109 -1.964 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -9.806 16.521 -0.948 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -8.945 15.682 0.327 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -9.029 17.706 1.372 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -7.618 18.053 0.393 1.00 0.00 H new ATOM 0 HE ARG A 54 -10.113 18.677 -0.988 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -7.712 19.837 1.335 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -8.081 21.538 1.037 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -10.573 20.865 -1.360 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.691 22.117 -0.479 1.00 0.00 H new ATOM 841 N LYS A 55 -9.322 13.435 -1.017 1.00 0.00 N ATOM 842 CA LYS A 55 -9.579 12.246 -0.210 1.00 0.00 C ATOM 843 C LYS A 55 -9.278 10.980 -1.008 1.00 0.00 C ATOM 844 O LYS A 55 -10.187 10.247 -1.399 1.00 0.00 O ATOM 845 CB LYS A 55 -11.032 12.232 0.270 1.00 0.00 C ATOM 846 CG LYS A 55 -11.318 11.164 1.313 1.00 0.00 C ATOM 847 CD LYS A 55 -10.506 11.387 2.579 1.00 0.00 C ATOM 848 CE LYS A 55 -10.820 12.732 3.215 1.00 0.00 C ATOM 849 NZ LYS A 55 -12.285 12.988 3.278 1.00 0.00 N ATOM 0 H LYS A 55 -10.153 13.984 -1.237 1.00 0.00 H new ATOM 0 HA LYS A 55 -8.922 12.273 0.659 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -11.278 13.209 0.686 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -11.687 12.076 -0.587 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.381 11.167 1.556 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -11.088 10.181 0.901 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -10.715 10.589 3.292 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.443 11.334 2.344 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -10.402 12.764 4.221 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.337 13.525 2.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.485 13.679 4.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.611 13.365 2.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -12.784 12.099 3.484 1.00 0.00 H new ATOM 863 N THR A 56 -7.995 10.739 -1.252 1.00 0.00 N ATOM 864 CA THR A 56 -7.558 9.574 -2.012 1.00 0.00 C ATOM 865 C THR A 56 -7.286 8.386 -1.098 1.00 0.00 C ATOM 866 O THR A 56 -7.138 8.540 0.114 1.00 0.00 O ATOM 867 CB THR A 56 -6.303 9.914 -2.818 1.00 0.00 C ATOM 868 OG1 THR A 56 -6.150 11.317 -2.944 1.00 0.00 O ATOM 869 CG2 THR A 56 -6.307 9.327 -4.211 1.00 0.00 C ATOM 0 H THR A 56 -7.235 11.339 -0.932 1.00 0.00 H new ATOM 0 HA THR A 56 -8.361 9.297 -2.695 1.00 0.00 H new ATOM 0 HB THR A 56 -5.476 9.475 -2.259 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.341 11.513 -3.462 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.388 9.607 -4.727 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.371 8.241 -4.148 1.00 0.00 H new ATOM 0 HG23 THR A 56 -7.165 9.709 -4.764 1.00 0.00 H new ATOM 877 N LEU A 57 -7.220 7.200 -1.693 1.00 0.00 N ATOM 878 CA LEU A 57 -6.967 5.980 -0.941 1.00 0.00 C ATOM 879 C LEU A 57 -6.384 4.897 -1.848 1.00 0.00 C ATOM 880 O LEU A 57 -7.080 3.960 -2.238 1.00 0.00 O ATOM 881 CB LEU A 57 -8.261 5.479 -0.297 1.00 0.00 C ATOM 882 CG LEU A 57 -8.449 5.875 1.169 1.00 0.00 C ATOM 883 CD1 LEU A 57 -9.888 5.642 1.604 1.00 0.00 C ATOM 884 CD2 LEU A 57 -7.491 5.097 2.058 1.00 0.00 C ATOM 0 H LEU A 57 -7.339 7.059 -2.696 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.242 6.205 -0.158 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.106 5.859 -0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.289 4.392 -0.370 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.227 6.937 1.270 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.003 5.929 2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -10.556 6.243 0.987 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.137 4.587 1.488 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.639 5.391 3.097 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -7.683 4.029 1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.464 5.312 1.762 1.00 0.00 H new ATOM 896 N THR A 58 -5.105 5.032 -2.184 1.00 0.00 N ATOM 897 CA THR A 58 -4.434 4.066 -3.050 1.00 0.00 C ATOM 898 C THR A 58 -4.523 2.658 -2.474 1.00 0.00 C ATOM 899 O THR A 58 -4.326 2.454 -1.279 1.00 0.00 O ATOM 900 CB THR A 58 -2.966 4.454 -3.238 1.00 0.00 C ATOM 901 OG1 THR A 58 -2.808 5.863 -3.224 1.00 0.00 O ATOM 902 CG2 THR A 58 -2.373 3.938 -4.531 1.00 0.00 C ATOM 0 H THR A 58 -4.512 5.800 -1.870 1.00 0.00 H new ATOM 0 HA THR A 58 -4.937 4.076 -4.017 1.00 0.00 H new ATOM 0 HB THR A 58 -2.438 3.992 -2.403 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.765 6.178 -2.297 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.330 4.248 -4.602 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.430 2.850 -4.549 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.931 4.344 -5.375 1.00 0.00 H new ATOM 910 N THR A 59 -4.815 1.686 -3.331 1.00 0.00 N ATOM 911 CA THR A 59 -4.920 0.298 -2.896 1.00 0.00 C ATOM 912 C THR A 59 -3.923 -0.581 -3.639 1.00 0.00 C ATOM 913 O THR A 59 -3.621 -0.343 -4.808 1.00 0.00 O ATOM 914 CB THR A 59 -6.342 -0.232 -3.111 1.00 0.00 C ATOM 915 OG1 THR A 59 -7.046 0.578 -4.035 1.00 0.00 O ATOM 916 CG2 THR A 59 -7.156 -0.291 -1.838 1.00 0.00 C ATOM 0 H THR A 59 -4.983 1.832 -4.326 1.00 0.00 H new ATOM 0 HA THR A 59 -4.689 0.265 -1.831 1.00 0.00 H new ATOM 0 HB THR A 59 -6.218 -1.246 -3.491 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.717 1.111 -3.559 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.152 -0.675 -2.060 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.665 -0.950 -1.122 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.239 0.709 -1.413 1.00 0.00 H new ATOM 924 N VAL A 60 -3.419 -1.602 -2.957 1.00 0.00 N ATOM 925 CA VAL A 60 -2.462 -2.521 -3.562 1.00 0.00 C ATOM 926 C VAL A 60 -3.072 -3.906 -3.715 1.00 0.00 C ATOM 927 O VAL A 60 -3.465 -4.536 -2.731 1.00 0.00 O ATOM 928 CB VAL A 60 -1.157 -2.635 -2.745 1.00 0.00 C ATOM 929 CG1 VAL A 60 0.027 -2.859 -3.675 1.00 0.00 C ATOM 930 CG2 VAL A 60 -0.939 -1.398 -1.885 1.00 0.00 C ATOM 0 H VAL A 60 -3.656 -1.814 -1.988 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.216 -2.110 -4.541 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.245 -3.492 -2.078 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.942 -2.938 -3.087 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.122 -3.780 -4.239 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.111 -2.020 -4.366 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.013 -1.506 -1.321 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.874 -0.517 -2.524 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -1.774 -1.284 -1.194 1.00 0.00 H new ATOM 940 N GLN A 61 -3.154 -4.371 -4.958 1.00 0.00 N ATOM 941 CA GLN A 61 -3.721 -5.679 -5.254 1.00 0.00 C ATOM 942 C GLN A 61 -2.672 -6.599 -5.863 1.00 0.00 C ATOM 943 O GLN A 61 -1.729 -6.139 -6.506 1.00 0.00 O ATOM 944 CB GLN A 61 -4.907 -5.537 -6.206 1.00 0.00 C ATOM 945 CG GLN A 61 -5.999 -6.567 -5.975 1.00 0.00 C ATOM 946 CD GLN A 61 -6.543 -7.138 -7.269 1.00 0.00 C ATOM 947 OE1 GLN A 61 -6.794 -8.338 -7.374 1.00 0.00 O ATOM 948 NE2 GLN A 61 -6.725 -6.277 -8.262 1.00 0.00 N ATOM 0 H GLN A 61 -2.833 -3.857 -5.779 1.00 0.00 H new ATOM 0 HA GLN A 61 -4.065 -6.120 -4.319 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -5.332 -4.539 -6.098 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -4.550 -5.622 -7.233 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -5.605 -7.377 -5.361 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -6.813 -6.109 -5.414 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -6.503 -5.290 -8.129 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -7.087 -6.602 -9.159 1.00 0.00 H new ATOM 957 N GLY A 62 -2.842 -7.898 -5.657 1.00 0.00 N ATOM 958 CA GLY A 62 -1.898 -8.861 -6.191 1.00 0.00 C ATOM 959 C GLY A 62 -0.929 -9.354 -5.136 1.00 0.00 C ATOM 960 O GLY A 62 -0.519 -10.514 -5.148 1.00 0.00 O ATOM 0 H GLY A 62 -3.616 -8.302 -5.130 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.442 -9.709 -6.607 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.341 -8.406 -7.010 1.00 0.00 H new ATOM 964 N ILE A 63 -0.561 -8.463 -4.221 1.00 0.00 N ATOM 965 CA ILE A 63 0.367 -8.795 -3.147 1.00 0.00 C ATOM 966 C ILE A 63 -0.080 -10.050 -2.401 1.00 0.00 C ATOM 967 O ILE A 63 -1.275 -10.311 -2.261 1.00 0.00 O ATOM 968 CB ILE A 63 0.517 -7.608 -2.164 1.00 0.00 C ATOM 969 CG1 ILE A 63 1.249 -6.432 -2.835 1.00 0.00 C ATOM 970 CG2 ILE A 63 1.242 -8.025 -0.891 1.00 0.00 C ATOM 971 CD1 ILE A 63 2.213 -6.834 -3.934 1.00 0.00 C ATOM 0 H ILE A 63 -0.894 -7.499 -4.203 1.00 0.00 H new ATOM 0 HA ILE A 63 1.339 -8.996 -3.598 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.486 -7.284 -1.888 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.508 -5.750 -3.251 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.798 -5.880 -2.072 1.00 0.00 H new ATOM 0 HG21 ILE A 63 1.329 -7.167 -0.224 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.679 -8.815 -0.394 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.237 -8.392 -1.143 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.683 -5.943 -4.350 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.980 -7.490 -3.523 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.670 -7.358 -4.720 1.00 0.00 H new ATOM 983 N ALA A 64 0.893 -10.828 -1.937 1.00 0.00 N ATOM 984 CA ALA A 64 0.610 -12.064 -1.220 1.00 0.00 C ATOM 985 C ALA A 64 0.450 -11.822 0.275 1.00 0.00 C ATOM 986 O ALA A 64 1.179 -11.029 0.869 1.00 0.00 O ATOM 987 CB ALA A 64 1.717 -13.077 -1.472 1.00 0.00 C ATOM 0 H ALA A 64 1.886 -10.623 -2.046 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.334 -12.459 -1.594 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.497 -13.998 -0.932 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.781 -13.288 -2.539 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.667 -12.671 -1.125 1.00 0.00 H new ATOM 993 N ASP A 65 -0.505 -12.521 0.878 1.00 0.00 N ATOM 994 CA ASP A 65 -0.758 -12.395 2.309 1.00 0.00 C ATOM 995 C ASP A 65 0.433 -12.909 3.115 1.00 0.00 C ATOM 996 O ASP A 65 0.590 -12.574 4.289 1.00 0.00 O ATOM 997 CB ASP A 65 -2.022 -13.165 2.695 1.00 0.00 C ATOM 998 CG ASP A 65 -2.599 -12.704 4.019 1.00 0.00 C ATOM 999 OD1 ASP A 65 -2.604 -11.481 4.271 1.00 0.00 O ATOM 1000 OD2 ASP A 65 -3.047 -13.566 4.803 1.00 0.00 O ATOM 0 H ASP A 65 -1.117 -13.181 0.398 1.00 0.00 H new ATOM 0 HA ASP A 65 -0.903 -11.339 2.538 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.771 -13.043 1.913 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.792 -14.229 2.753 1.00 0.00 H new ATOM 1005 N ASP A 66 1.271 -13.720 2.475 1.00 0.00 N ATOM 1006 CA ASP A 66 2.449 -14.275 3.130 1.00 0.00 C ATOM 1007 C ASP A 66 3.494 -13.191 3.378 1.00 0.00 C ATOM 1008 O ASP A 66 4.380 -13.349 4.218 1.00 0.00 O ATOM 1009 CB ASP A 66 3.053 -15.394 2.278 1.00 0.00 C ATOM 1010 CG ASP A 66 3.696 -16.482 3.117 1.00 0.00 C ATOM 1011 OD1 ASP A 66 3.667 -16.371 4.360 1.00 0.00 O ATOM 1012 OD2 ASP A 66 4.230 -17.446 2.529 1.00 0.00 O ATOM 0 H ASP A 66 1.155 -14.007 1.503 1.00 0.00 H new ATOM 0 HA ASP A 66 2.140 -14.685 4.091 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.273 -15.833 1.655 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.798 -14.971 1.604 1.00 0.00 H new ATOM 1017 N TYR A 67 3.379 -12.086 2.644 1.00 0.00 N ATOM 1018 CA TYR A 67 4.306 -10.967 2.781 1.00 0.00 C ATOM 1019 C TYR A 67 4.432 -10.532 4.240 1.00 0.00 C ATOM 1020 O TYR A 67 3.820 -11.121 5.131 1.00 0.00 O ATOM 1021 CB TYR A 67 3.819 -9.781 1.948 1.00 0.00 C ATOM 1022 CG TYR A 67 4.093 -9.889 0.464 1.00 0.00 C ATOM 1023 CD1 TYR A 67 4.420 -11.100 -0.135 1.00 0.00 C ATOM 1024 CD2 TYR A 67 4.021 -8.762 -0.338 1.00 0.00 C ATOM 1025 CE1 TYR A 67 4.667 -11.178 -1.495 1.00 0.00 C ATOM 1026 CE2 TYR A 67 4.264 -8.828 -1.693 1.00 0.00 C ATOM 1027 CZ TYR A 67 4.588 -10.038 -2.269 1.00 0.00 C ATOM 1028 OH TYR A 67 4.832 -10.110 -3.621 1.00 0.00 O ATOM 0 H TYR A 67 2.649 -11.942 1.946 1.00 0.00 H new ATOM 0 HA TYR A 67 5.283 -11.296 2.426 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.745 -9.668 2.097 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.291 -8.873 2.325 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.482 -11.993 0.469 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.769 -7.811 0.108 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.920 -12.125 -1.948 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.201 -7.937 -2.300 1.00 0.00 H new ATOM 0 HH TYR A 67 5.552 -9.488 -3.857 1.00 0.00 H new ATOM 1038 N ASP A 68 5.216 -9.484 4.469 1.00 0.00 N ATOM 1039 CA ASP A 68 5.409 -8.953 5.812 1.00 0.00 C ATOM 1040 C ASP A 68 4.403 -7.840 6.088 1.00 0.00 C ATOM 1041 O ASP A 68 4.743 -6.657 6.039 1.00 0.00 O ATOM 1042 CB ASP A 68 6.835 -8.426 5.977 1.00 0.00 C ATOM 1043 CG ASP A 68 7.881 -9.470 5.641 1.00 0.00 C ATOM 1044 OD1 ASP A 68 7.777 -10.603 6.156 1.00 0.00 O ATOM 1045 OD2 ASP A 68 8.805 -9.155 4.860 1.00 0.00 O ATOM 0 H ASP A 68 5.728 -8.986 3.741 1.00 0.00 H new ATOM 0 HA ASP A 68 5.250 -9.758 6.530 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.974 -7.557 5.335 1.00 0.00 H new ATOM 0 HB3 ASP A 68 6.978 -8.090 7.004 1.00 0.00 H new ATOM 1050 N LYS A 69 3.160 -8.231 6.363 1.00 0.00 N ATOM 1051 CA LYS A 69 2.083 -7.279 6.638 1.00 0.00 C ATOM 1052 C LYS A 69 2.567 -6.106 7.489 1.00 0.00 C ATOM 1053 O LYS A 69 2.303 -4.946 7.172 1.00 0.00 O ATOM 1054 CB LYS A 69 0.922 -7.988 7.338 1.00 0.00 C ATOM 1055 CG LYS A 69 -0.438 -7.677 6.733 1.00 0.00 C ATOM 1056 CD LYS A 69 -1.552 -8.427 7.446 1.00 0.00 C ATOM 1057 CE LYS A 69 -2.144 -9.516 6.567 1.00 0.00 C ATOM 1058 NZ LYS A 69 -3.574 -9.775 6.890 1.00 0.00 N ATOM 0 H LYS A 69 2.871 -9.209 6.402 1.00 0.00 H new ATOM 0 HA LYS A 69 1.743 -6.879 5.683 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.089 -9.064 7.300 1.00 0.00 H new ATOM 0 HB3 LYS A 69 0.915 -7.703 8.390 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.626 -6.605 6.790 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -0.437 -7.945 5.676 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -1.164 -8.870 8.363 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -2.335 -7.727 7.736 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.055 -9.226 5.520 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.571 -10.435 6.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -3.940 -10.524 6.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -3.657 -10.077 7.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -4.126 -8.905 6.746 1.00 0.00 H new ATOM 1072 N LYS A 70 3.276 -6.419 8.567 1.00 0.00 N ATOM 1073 CA LYS A 70 3.794 -5.391 9.461 1.00 0.00 C ATOM 1074 C LYS A 70 4.827 -4.519 8.750 1.00 0.00 C ATOM 1075 O LYS A 70 4.783 -3.294 8.837 1.00 0.00 O ATOM 1076 CB LYS A 70 4.421 -6.031 10.700 1.00 0.00 C ATOM 1077 CG LYS A 70 3.446 -6.871 11.509 1.00 0.00 C ATOM 1078 CD LYS A 70 4.175 -7.813 12.455 1.00 0.00 C ATOM 1079 CE LYS A 70 4.396 -7.173 13.816 1.00 0.00 C ATOM 1080 NZ LYS A 70 5.553 -6.236 13.808 1.00 0.00 N ATOM 0 H LYS A 70 3.505 -7.374 8.843 1.00 0.00 H new ATOM 0 HA LYS A 70 2.960 -4.760 9.767 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.258 -6.657 10.391 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.828 -5.246 11.338 1.00 0.00 H new ATOM 0 HG2 LYS A 70 2.788 -6.217 12.081 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.814 -7.448 10.834 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.599 -8.731 12.572 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.136 -8.093 12.023 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.496 -6.636 14.115 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.564 -7.951 14.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.937 -6.150 14.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.291 -6.601 13.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.241 -5.301 13.476 1.00 0.00 H new ATOM 1094 N LYS A 71 5.755 -5.161 8.048 1.00 0.00 N ATOM 1095 CA LYS A 71 6.803 -4.442 7.330 1.00 0.00 C ATOM 1096 C LYS A 71 6.306 -3.886 5.993 1.00 0.00 C ATOM 1097 O LYS A 71 7.104 -3.430 5.174 1.00 0.00 O ATOM 1098 CB LYS A 71 8.003 -5.360 7.095 1.00 0.00 C ATOM 1099 CG LYS A 71 9.343 -4.660 7.255 1.00 0.00 C ATOM 1100 CD LYS A 71 10.266 -4.944 6.080 1.00 0.00 C ATOM 1101 CE LYS A 71 11.170 -6.135 6.359 1.00 0.00 C ATOM 1102 NZ LYS A 71 10.399 -7.317 6.834 1.00 0.00 N ATOM 0 H LYS A 71 5.803 -6.176 7.961 1.00 0.00 H new ATOM 0 HA LYS A 71 7.102 -3.597 7.950 1.00 0.00 H new ATOM 0 HB2 LYS A 71 7.953 -6.196 7.793 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.939 -5.779 6.091 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.185 -3.585 7.343 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.818 -4.989 8.179 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.672 -5.138 5.187 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.875 -4.064 5.873 1.00 0.00 H new ATOM 0 HE2 LYS A 71 11.715 -6.397 5.452 1.00 0.00 H new ATOM 0 HE3 LYS A 71 11.912 -5.860 7.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 11.019 -8.152 6.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 10.038 -7.134 7.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.601 -7.492 6.191 1.00 0.00 H new ATOM 1116 N LEU A 72 4.993 -3.921 5.771 1.00 0.00 N ATOM 1117 CA LEU A 72 4.420 -3.414 4.531 1.00 0.00 C ATOM 1118 C LEU A 72 3.724 -2.080 4.759 1.00 0.00 C ATOM 1119 O LEU A 72 4.187 -1.041 4.288 1.00 0.00 O ATOM 1120 CB LEU A 72 3.434 -4.429 3.943 1.00 0.00 C ATOM 1121 CG LEU A 72 4.047 -5.471 2.998 1.00 0.00 C ATOM 1122 CD1 LEU A 72 5.539 -5.625 3.259 1.00 0.00 C ATOM 1123 CD2 LEU A 72 3.333 -6.806 3.145 1.00 0.00 C ATOM 0 H LEU A 72 4.311 -4.294 6.432 1.00 0.00 H new ATOM 0 HA LEU A 72 5.233 -3.260 3.822 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.944 -4.952 4.764 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.658 -3.886 3.403 1.00 0.00 H new ATOM 0 HG LEU A 72 3.918 -5.123 1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.953 -6.369 2.578 1.00 0.00 H new ATOM 0 HD12 LEU A 72 6.037 -4.669 3.098 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.697 -5.948 4.288 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.780 -7.534 2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.429 -7.159 4.172 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.278 -6.683 2.901 1.00 0.00 H new ATOM 1135 N VAL A 73 2.612 -2.110 5.482 1.00 0.00 N ATOM 1136 CA VAL A 73 1.863 -0.895 5.765 1.00 0.00 C ATOM 1137 C VAL A 73 2.552 -0.070 6.849 1.00 0.00 C ATOM 1138 O VAL A 73 2.613 1.157 6.761 1.00 0.00 O ATOM 1139 CB VAL A 73 0.410 -1.208 6.180 1.00 0.00 C ATOM 1140 CG1 VAL A 73 0.339 -1.691 7.624 1.00 0.00 C ATOM 1141 CG2 VAL A 73 -0.477 0.010 5.971 1.00 0.00 C ATOM 0 H VAL A 73 2.211 -2.959 5.881 1.00 0.00 H new ATOM 0 HA VAL A 73 1.834 -0.312 4.845 1.00 0.00 H new ATOM 0 HB VAL A 73 0.044 -2.014 5.545 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.698 -1.903 7.886 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.934 -2.598 7.734 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.730 -0.918 8.286 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.498 -0.228 6.269 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.107 0.838 6.576 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.463 0.294 4.919 1.00 0.00 H new ATOM 1151 N LYS A 74 3.089 -0.748 7.861 1.00 0.00 N ATOM 1152 CA LYS A 74 3.791 -0.060 8.936 1.00 0.00 C ATOM 1153 C LYS A 74 5.046 0.598 8.383 1.00 0.00 C ATOM 1154 O LYS A 74 5.335 1.759 8.676 1.00 0.00 O ATOM 1155 CB LYS A 74 4.155 -1.035 10.056 1.00 0.00 C ATOM 1156 CG LYS A 74 4.037 -0.438 11.448 1.00 0.00 C ATOM 1157 CD LYS A 74 4.011 -1.520 12.519 1.00 0.00 C ATOM 1158 CE LYS A 74 2.773 -1.410 13.394 1.00 0.00 C ATOM 1159 NZ LYS A 74 1.710 -2.366 12.977 1.00 0.00 N ATOM 0 H LYS A 74 3.051 -1.763 7.957 1.00 0.00 H new ATOM 0 HA LYS A 74 3.135 0.705 9.352 1.00 0.00 H new ATOM 0 HB2 LYS A 74 3.507 -1.909 9.989 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.177 -1.383 9.905 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.876 0.234 11.629 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.129 0.161 11.512 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.037 -2.502 12.046 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.904 -1.441 13.139 1.00 0.00 H new ATOM 0 HE2 LYS A 74 3.045 -1.600 14.432 1.00 0.00 H new ATOM 0 HE3 LYS A 74 2.385 -0.393 13.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.883 -2.259 13.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 1.432 -2.169 11.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.071 -3.339 13.046 1.00 0.00 H new ATOM 1173 N ALA A 75 5.773 -0.148 7.557 1.00 0.00 N ATOM 1174 CA ALA A 75 6.983 0.365 6.932 1.00 0.00 C ATOM 1175 C ALA A 75 6.635 1.535 6.027 1.00 0.00 C ATOM 1176 O ALA A 75 7.313 2.563 6.031 1.00 0.00 O ATOM 1177 CB ALA A 75 7.682 -0.733 6.144 1.00 0.00 C ATOM 0 H ALA A 75 5.544 -1.110 7.306 1.00 0.00 H new ATOM 0 HA ALA A 75 7.665 0.710 7.709 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.585 -0.332 5.683 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.949 -1.549 6.815 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.014 -1.106 5.368 1.00 0.00 H new ATOM 1183 N PHE A 76 5.558 1.377 5.258 1.00 0.00 N ATOM 1184 CA PHE A 76 5.100 2.429 4.355 1.00 0.00 C ATOM 1185 C PHE A 76 4.985 3.763 5.092 1.00 0.00 C ATOM 1186 O PHE A 76 5.317 4.817 4.549 1.00 0.00 O ATOM 1187 CB PHE A 76 3.746 2.060 3.749 1.00 0.00 C ATOM 1188 CG PHE A 76 3.440 2.796 2.476 1.00 0.00 C ATOM 1189 CD1 PHE A 76 3.904 2.322 1.261 1.00 0.00 C ATOM 1190 CD2 PHE A 76 2.691 3.962 2.495 1.00 0.00 C ATOM 1191 CE1 PHE A 76 3.627 2.995 0.087 1.00 0.00 C ATOM 1192 CE2 PHE A 76 2.410 4.640 1.323 1.00 0.00 C ATOM 1193 CZ PHE A 76 2.880 4.155 0.118 1.00 0.00 C ATOM 0 H PHE A 76 4.988 0.531 5.243 1.00 0.00 H new ATOM 0 HA PHE A 76 5.834 2.530 3.556 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.724 0.988 3.554 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.962 2.268 4.477 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.490 1.415 1.231 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.323 4.345 3.435 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.995 2.614 -0.854 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.824 5.547 1.350 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.663 4.683 -0.799 1.00 0.00 H new ATOM 1203 N LYS A 77 4.512 3.705 6.335 1.00 0.00 N ATOM 1204 CA LYS A 77 4.351 4.904 7.155 1.00 0.00 C ATOM 1205 C LYS A 77 5.697 5.416 7.668 1.00 0.00 C ATOM 1206 O LYS A 77 5.772 6.485 8.274 1.00 0.00 O ATOM 1207 CB LYS A 77 3.426 4.616 8.338 1.00 0.00 C ATOM 1208 CG LYS A 77 2.029 4.176 7.928 1.00 0.00 C ATOM 1209 CD LYS A 77 1.547 2.991 8.752 1.00 0.00 C ATOM 1210 CE LYS A 77 0.501 3.408 9.775 1.00 0.00 C ATOM 1211 NZ LYS A 77 -0.844 2.857 9.450 1.00 0.00 N ATOM 0 H LYS A 77 4.233 2.839 6.797 1.00 0.00 H new ATOM 0 HA LYS A 77 3.909 5.677 6.526 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.875 3.840 8.958 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.349 5.512 8.954 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.336 5.008 8.048 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.027 3.909 6.871 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.127 2.234 8.090 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.394 2.534 9.263 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.804 3.066 10.764 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.447 4.496 9.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.578 3.514 9.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.930 2.736 8.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.964 1.936 9.918 1.00 0.00 H new ATOM 1225 N LYS A 78 6.758 4.654 7.426 1.00 0.00 N ATOM 1226 CA LYS A 78 8.093 5.042 7.866 1.00 0.00 C ATOM 1227 C LYS A 78 8.934 5.542 6.694 1.00 0.00 C ATOM 1228 O LYS A 78 9.930 6.238 6.886 1.00 0.00 O ATOM 1229 CB LYS A 78 8.792 3.860 8.539 1.00 0.00 C ATOM 1230 CG LYS A 78 9.970 4.267 9.411 1.00 0.00 C ATOM 1231 CD LYS A 78 9.971 3.516 10.733 1.00 0.00 C ATOM 1232 CE LYS A 78 10.337 2.053 10.540 1.00 0.00 C ATOM 1233 NZ LYS A 78 10.029 1.240 11.749 1.00 0.00 N ATOM 0 H LYS A 78 6.720 3.765 6.928 1.00 0.00 H new ATOM 0 HA LYS A 78 7.987 5.855 8.585 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.068 3.320 9.149 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.140 3.169 7.771 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.902 4.072 8.880 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.930 5.340 9.601 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.679 3.983 11.418 1.00 0.00 H new ATOM 0 HD3 LYS A 78 8.986 3.588 11.195 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.793 1.652 9.685 1.00 0.00 H new ATOM 0 HE3 LYS A 78 11.399 1.972 10.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.293 0.249 11.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 10.567 1.606 12.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 9.011 1.296 11.955 1.00 0.00 H new ATOM 1247 N LYS A 79 8.529 5.179 5.480 1.00 0.00 N ATOM 1248 CA LYS A 79 9.249 5.587 4.281 1.00 0.00 C ATOM 1249 C LYS A 79 8.713 6.907 3.734 1.00 0.00 C ATOM 1250 O LYS A 79 9.484 7.805 3.394 1.00 0.00 O ATOM 1251 CB LYS A 79 9.147 4.501 3.208 1.00 0.00 C ATOM 1252 CG LYS A 79 10.420 4.328 2.396 1.00 0.00 C ATOM 1253 CD LYS A 79 10.142 4.376 0.902 1.00 0.00 C ATOM 1254 CE LYS A 79 11.404 4.674 0.109 1.00 0.00 C ATOM 1255 NZ LYS A 79 11.825 6.096 0.249 1.00 0.00 N ATOM 0 H LYS A 79 7.706 4.603 5.302 1.00 0.00 H new ATOM 0 HA LYS A 79 10.295 5.730 4.552 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.898 3.553 3.685 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.326 4.744 2.534 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.130 5.112 2.660 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.887 3.376 2.649 1.00 0.00 H new ATOM 0 HD2 LYS A 79 9.724 3.423 0.578 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.392 5.140 0.695 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.209 4.022 0.449 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.233 4.448 -0.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 12.534 6.321 -0.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.999 6.716 0.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.237 6.245 1.192 1.00 0.00 H new ATOM 1269 N PHE A 80 7.392 7.018 3.645 1.00 0.00 N ATOM 1270 CA PHE A 80 6.761 8.231 3.128 1.00 0.00 C ATOM 1271 C PHE A 80 5.931 8.934 4.199 1.00 0.00 C ATOM 1272 O PHE A 80 5.533 10.086 4.027 1.00 0.00 O ATOM 1273 CB PHE A 80 5.870 7.903 1.926 1.00 0.00 C ATOM 1274 CG PHE A 80 6.351 6.738 1.109 1.00 0.00 C ATOM 1275 CD1 PHE A 80 6.035 5.440 1.479 1.00 0.00 C ATOM 1276 CD2 PHE A 80 7.117 6.941 -0.027 1.00 0.00 C ATOM 1277 CE1 PHE A 80 6.474 4.367 0.729 1.00 0.00 C ATOM 1278 CE2 PHE A 80 7.559 5.871 -0.780 1.00 0.00 C ATOM 1279 CZ PHE A 80 7.237 4.581 -0.402 1.00 0.00 C ATOM 0 H PHE A 80 6.738 6.286 3.923 1.00 0.00 H new ATOM 0 HA PHE A 80 7.560 8.903 2.816 1.00 0.00 H new ATOM 0 HB2 PHE A 80 4.861 7.693 2.281 1.00 0.00 H new ATOM 0 HB3 PHE A 80 5.805 8.782 1.284 1.00 0.00 H new ATOM 0 HD1 PHE A 80 5.439 5.266 2.363 1.00 0.00 H new ATOM 0 HD2 PHE A 80 7.371 7.947 -0.327 1.00 0.00 H new ATOM 0 HE1 PHE A 80 6.221 3.360 1.027 1.00 0.00 H new ATOM 0 HE2 PHE A 80 8.156 6.042 -1.664 1.00 0.00 H new ATOM 0 HZ PHE A 80 7.581 3.743 -0.990 1.00 0.00 H new ATOM 1289 N ALA A 81 5.660 8.238 5.302 1.00 0.00 N ATOM 1290 CA ALA A 81 4.865 8.809 6.383 1.00 0.00 C ATOM 1291 C ALA A 81 3.415 8.984 5.949 1.00 0.00 C ATOM 1292 O ALA A 81 2.792 10.012 6.218 1.00 0.00 O ATOM 1293 CB ALA A 81 5.452 10.139 6.835 1.00 0.00 C ATOM 0 H ALA A 81 5.978 7.283 5.468 1.00 0.00 H new ATOM 0 HA ALA A 81 4.889 8.119 7.226 1.00 0.00 H new ATOM 0 HB1 ALA A 81 4.845 10.549 7.642 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.471 9.985 7.190 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.461 10.836 5.997 1.00 0.00 H new ATOM 1299 N CYS A 82 2.886 7.970 5.272 1.00 0.00 N ATOM 1300 CA CYS A 82 1.510 8.004 4.792 1.00 0.00 C ATOM 1301 C CYS A 82 0.631 7.046 5.587 1.00 0.00 C ATOM 1302 O CYS A 82 1.111 6.048 6.123 1.00 0.00 O ATOM 1303 CB CYS A 82 1.459 7.646 3.305 1.00 0.00 C ATOM 1304 SG CYS A 82 2.301 8.832 2.231 1.00 0.00 S ATOM 0 H CYS A 82 3.391 7.114 5.043 1.00 0.00 H new ATOM 0 HA CYS A 82 1.129 9.016 4.930 1.00 0.00 H new ATOM 0 HB2 CYS A 82 1.907 6.662 3.164 1.00 0.00 H new ATOM 0 HB3 CYS A 82 0.416 7.569 2.996 1.00 0.00 H new ATOM 0 HG CYS A 82 1.851 8.714 1.017 1.00 0.00 H new ATOM 1310 N ASN A 83 -0.659 7.357 5.658 1.00 0.00 N ATOM 1311 CA ASN A 83 -1.607 6.523 6.386 1.00 0.00 C ATOM 1312 C ASN A 83 -1.967 5.281 5.577 1.00 0.00 C ATOM 1313 O ASN A 83 -2.630 5.373 4.544 1.00 0.00 O ATOM 1314 CB ASN A 83 -2.871 7.321 6.716 1.00 0.00 C ATOM 1315 CG ASN A 83 -3.042 7.540 8.206 1.00 0.00 C ATOM 1316 OD1 ASN A 83 -4.149 7.441 8.736 1.00 0.00 O ATOM 1317 ND2 ASN A 83 -1.944 7.841 8.891 1.00 0.00 N ATOM 0 H ASN A 83 -1.072 8.181 5.220 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.137 6.204 7.316 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.830 8.286 6.212 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -3.742 6.794 6.326 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -1.998 8.000 9.897 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.047 7.913 8.411 1.00 0.00 H new ATOM 1324 N GLY A 84 -1.523 4.122 6.051 1.00 0.00 N ATOM 1325 CA GLY A 84 -1.806 2.881 5.356 1.00 0.00 C ATOM 1326 C GLY A 84 -2.717 1.964 6.146 1.00 0.00 C ATOM 1327 O GLY A 84 -2.572 1.829 7.362 1.00 0.00 O ATOM 0 H GLY A 84 -0.973 4.020 6.904 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -2.268 3.105 4.394 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -0.869 2.364 5.147 1.00 0.00 H new ATOM 1331 N THR A 85 -3.656 1.330 5.453 1.00 0.00 N ATOM 1332 CA THR A 85 -4.595 0.416 6.094 1.00 0.00 C ATOM 1333 C THR A 85 -4.696 -0.894 5.317 1.00 0.00 C ATOM 1334 O THR A 85 -4.257 -0.980 4.172 1.00 0.00 O ATOM 1335 CB THR A 85 -5.976 1.064 6.206 1.00 0.00 C ATOM 1336 OG1 THR A 85 -6.474 1.404 4.925 1.00 0.00 O ATOM 1337 CG2 THR A 85 -5.980 2.322 7.048 1.00 0.00 C ATOM 0 H THR A 85 -3.788 1.432 4.447 1.00 0.00 H new ATOM 0 HA THR A 85 -4.223 0.196 7.095 1.00 0.00 H new ATOM 0 HB THR A 85 -6.607 0.319 6.691 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.761 1.818 4.396 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.990 2.731 7.086 1.00 0.00 H new ATOM 0 HG22 THR A 85 -5.646 2.085 8.058 1.00 0.00 H new ATOM 0 HG23 THR A 85 -5.307 3.057 6.607 1.00 0.00 H new ATOM 1345 N VAL A 86 -5.271 -1.910 5.950 1.00 0.00 N ATOM 1346 CA VAL A 86 -5.428 -3.215 5.320 1.00 0.00 C ATOM 1347 C VAL A 86 -6.883 -3.678 5.373 1.00 0.00 C ATOM 1348 O VAL A 86 -7.508 -3.662 6.433 1.00 0.00 O ATOM 1349 CB VAL A 86 -4.533 -4.269 6.001 1.00 0.00 C ATOM 1350 CG1 VAL A 86 -5.002 -4.543 7.424 1.00 0.00 C ATOM 1351 CG2 VAL A 86 -4.499 -5.552 5.184 1.00 0.00 C ATOM 0 H VAL A 86 -5.637 -1.855 6.901 1.00 0.00 H new ATOM 0 HA VAL A 86 -5.125 -3.110 4.278 1.00 0.00 H new ATOM 0 HB VAL A 86 -3.519 -3.872 6.053 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -4.354 -5.290 7.883 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.961 -3.621 8.004 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.027 -4.914 7.404 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.862 -6.283 5.681 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.509 -5.952 5.093 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -4.102 -5.341 4.191 1.00 0.00 H new ATOM 1361 N ILE A 87 -7.417 -4.092 4.228 1.00 0.00 N ATOM 1362 CA ILE A 87 -8.798 -4.559 4.157 1.00 0.00 C ATOM 1363 C ILE A 87 -8.952 -5.689 3.145 1.00 0.00 C ATOM 1364 O ILE A 87 -8.105 -5.874 2.271 1.00 0.00 O ATOM 1365 CB ILE A 87 -9.773 -3.421 3.779 1.00 0.00 C ATOM 1366 CG1 ILE A 87 -9.494 -2.909 2.357 1.00 0.00 C ATOM 1367 CG2 ILE A 87 -9.690 -2.286 4.788 1.00 0.00 C ATOM 1368 CD1 ILE A 87 -8.333 -1.942 2.266 1.00 0.00 C ATOM 0 H ILE A 87 -6.917 -4.114 3.339 1.00 0.00 H new ATOM 0 HA ILE A 87 -9.046 -4.924 5.153 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.786 -3.822 3.799 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -9.295 -3.762 1.708 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -10.391 -2.421 1.976 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -10.384 -1.495 4.504 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -9.951 -2.660 5.778 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -8.675 -1.889 4.806 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -8.201 -1.628 1.231 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.537 -1.070 2.887 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.424 -2.431 2.615 1.00 0.00 H new ATOM 1380 N GLU A 88 -10.046 -6.432 3.263 1.00 0.00 N ATOM 1381 CA GLU A 88 -10.324 -7.531 2.351 1.00 0.00 C ATOM 1382 C GLU A 88 -11.437 -7.145 1.385 1.00 0.00 C ATOM 1383 O GLU A 88 -12.579 -7.585 1.524 1.00 0.00 O ATOM 1384 CB GLU A 88 -10.714 -8.788 3.127 1.00 0.00 C ATOM 1385 CG GLU A 88 -10.302 -10.072 2.431 1.00 0.00 C ATOM 1386 CD GLU A 88 -10.762 -11.312 3.172 1.00 0.00 C ATOM 1387 OE1 GLU A 88 -11.784 -11.232 3.886 1.00 0.00 O ATOM 1388 OE2 GLU A 88 -10.101 -12.363 3.039 1.00 0.00 O ATOM 0 H GLU A 88 -10.755 -6.292 3.983 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.419 -7.743 1.781 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.255 -8.754 4.115 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -11.794 -8.794 3.277 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.715 -10.082 1.422 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.217 -10.095 2.332 1.00 0.00 H new ATOM 1395 N HIS A 89 -11.094 -6.307 0.414 1.00 0.00 N ATOM 1396 CA HIS A 89 -12.055 -5.839 -0.575 1.00 0.00 C ATOM 1397 C HIS A 89 -12.753 -7.006 -1.274 1.00 0.00 C ATOM 1398 O HIS A 89 -12.117 -8.003 -1.619 1.00 0.00 O ATOM 1399 CB HIS A 89 -11.351 -4.961 -1.607 1.00 0.00 C ATOM 1400 CG HIS A 89 -12.205 -3.849 -2.125 1.00 0.00 C ATOM 1401 ND1 HIS A 89 -12.727 -3.836 -3.401 1.00 0.00 N ATOM 1402 CD2 HIS A 89 -12.632 -2.709 -1.532 1.00 0.00 C ATOM 1403 CE1 HIS A 89 -13.440 -2.737 -3.571 1.00 0.00 C ATOM 1404 NE2 HIS A 89 -13.399 -2.037 -2.452 1.00 0.00 N ATOM 0 H HIS A 89 -10.152 -5.936 0.291 1.00 0.00 H new ATOM 0 HA HIS A 89 -12.815 -5.256 -0.056 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -10.451 -4.539 -1.160 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -11.031 -5.582 -2.443 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -12.411 -2.388 -0.525 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -13.967 -2.458 -4.472 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -13.862 -1.142 -2.296 1.00 0.00 H new ATOM 1413 N PRO A 90 -14.075 -6.893 -1.497 1.00 0.00 N ATOM 1414 CA PRO A 90 -14.856 -7.937 -2.163 1.00 0.00 C ATOM 1415 C PRO A 90 -14.707 -7.893 -3.681 1.00 0.00 C ATOM 1416 O PRO A 90 -15.034 -8.856 -4.375 1.00 0.00 O ATOM 1417 CB PRO A 90 -16.287 -7.600 -1.756 1.00 0.00 C ATOM 1418 CG PRO A 90 -16.291 -6.117 -1.604 1.00 0.00 C ATOM 1419 CD PRO A 90 -14.914 -5.737 -1.123 1.00 0.00 C ATOM 0 HA PRO A 90 -14.536 -8.940 -1.879 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -17.002 -7.924 -2.513 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -16.562 -8.095 -0.825 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -16.520 -5.630 -2.552 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -17.053 -5.801 -0.891 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -14.564 -4.820 -1.597 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -14.900 -5.565 -0.047 1.00 0.00 H new ATOM 1427 N GLU A 91 -14.209 -6.769 -4.191 1.00 0.00 N ATOM 1428 CA GLU A 91 -14.015 -6.598 -5.624 1.00 0.00 C ATOM 1429 C GLU A 91 -12.680 -7.192 -6.066 1.00 0.00 C ATOM 1430 O GLU A 91 -12.492 -7.517 -7.238 1.00 0.00 O ATOM 1431 CB GLU A 91 -14.070 -5.112 -5.986 1.00 0.00 C ATOM 1432 CG GLU A 91 -15.147 -4.770 -7.001 1.00 0.00 C ATOM 1433 CD GLU A 91 -14.731 -5.087 -8.424 1.00 0.00 C ATOM 1434 OE1 GLU A 91 -14.980 -6.224 -8.877 1.00 0.00 O ATOM 1435 OE2 GLU A 91 -14.156 -4.198 -9.086 1.00 0.00 O ATOM 0 H GLU A 91 -13.933 -5.963 -3.630 1.00 0.00 H new ATOM 0 HA GLU A 91 -14.815 -7.125 -6.144 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -14.241 -4.532 -5.079 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -13.101 -4.807 -6.381 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -16.056 -5.322 -6.761 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -15.389 -3.710 -6.925 1.00 0.00 H new ATOM 1442 N TYR A 92 -11.755 -7.320 -5.120 1.00 0.00 N ATOM 1443 CA TYR A 92 -10.434 -7.862 -5.412 1.00 0.00 C ATOM 1444 C TYR A 92 -10.089 -9.005 -4.463 1.00 0.00 C ATOM 1445 O TYR A 92 -9.755 -10.107 -4.899 1.00 0.00 O ATOM 1446 CB TYR A 92 -9.384 -6.757 -5.304 1.00 0.00 C ATOM 1447 CG TYR A 92 -9.890 -5.407 -5.756 1.00 0.00 C ATOM 1448 CD1 TYR A 92 -10.489 -5.254 -7.000 1.00 0.00 C ATOM 1449 CD2 TYR A 92 -9.781 -4.289 -4.939 1.00 0.00 C ATOM 1450 CE1 TYR A 92 -10.963 -4.027 -7.418 1.00 0.00 C ATOM 1451 CE2 TYR A 92 -10.253 -3.057 -5.350 1.00 0.00 C ATOM 1452 CZ TYR A 92 -10.844 -2.931 -6.590 1.00 0.00 C ATOM 1453 OH TYR A 92 -11.316 -1.707 -7.002 1.00 0.00 O ATOM 0 H TYR A 92 -11.896 -7.056 -4.145 1.00 0.00 H new ATOM 0 HA TYR A 92 -10.442 -8.255 -6.429 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -9.048 -6.684 -4.270 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.515 -7.031 -5.903 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.585 -6.110 -7.651 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -9.320 -4.384 -3.967 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.425 -3.926 -8.389 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -10.160 -2.197 -4.703 1.00 0.00 H new ATOM 0 HH TYR A 92 -11.155 -1.041 -6.301 1.00 0.00 H new ATOM 1463 N GLY A 93 -10.173 -8.736 -3.165 1.00 0.00 N ATOM 1464 CA GLY A 93 -9.868 -9.753 -2.178 1.00 0.00 C ATOM 1465 C GLY A 93 -8.521 -9.541 -1.515 1.00 0.00 C ATOM 1466 O GLY A 93 -7.480 -9.874 -2.082 1.00 0.00 O ATOM 0 H GLY A 93 -10.447 -7.832 -2.779 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -10.647 -9.758 -1.415 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -9.883 -10.733 -2.655 1.00 0.00 H new ATOM 1470 N GLU A 94 -8.542 -8.990 -0.306 1.00 0.00 N ATOM 1471 CA GLU A 94 -7.318 -8.737 0.447 1.00 0.00 C ATOM 1472 C GLU A 94 -6.424 -7.725 -0.265 1.00 0.00 C ATOM 1473 O GLU A 94 -5.540 -8.097 -1.037 1.00 0.00 O ATOM 1474 CB GLU A 94 -6.550 -10.041 0.668 1.00 0.00 C ATOM 1475 CG GLU A 94 -5.520 -9.960 1.782 1.00 0.00 C ATOM 1476 CD GLU A 94 -6.012 -10.572 3.077 1.00 0.00 C ATOM 1477 OE1 GLU A 94 -6.727 -11.595 3.017 1.00 0.00 O ATOM 1478 OE2 GLU A 94 -5.684 -10.029 4.153 1.00 0.00 O ATOM 0 H GLU A 94 -9.396 -8.709 0.175 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.605 -8.319 1.412 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -7.259 -10.836 0.898 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.049 -10.319 -0.259 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -4.609 -10.469 1.467 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -5.258 -8.916 1.954 1.00 0.00 H new ATOM 1485 N VAL A 95 -6.654 -6.443 0.007 1.00 0.00 N ATOM 1486 CA VAL A 95 -5.864 -5.376 -0.598 1.00 0.00 C ATOM 1487 C VAL A 95 -5.595 -4.265 0.409 1.00 0.00 C ATOM 1488 O VAL A 95 -6.472 -3.902 1.193 1.00 0.00 O ATOM 1489 CB VAL A 95 -6.569 -4.774 -1.829 1.00 0.00 C ATOM 1490 CG1 VAL A 95 -6.611 -5.778 -2.969 1.00 0.00 C ATOM 1491 CG2 VAL A 95 -7.970 -4.306 -1.467 1.00 0.00 C ATOM 0 H VAL A 95 -7.382 -6.118 0.643 1.00 0.00 H new ATOM 0 HA VAL A 95 -4.921 -5.822 -0.915 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.997 -3.908 -2.163 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.113 -5.332 -3.828 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.594 -6.056 -3.247 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.156 -6.667 -2.651 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.452 -3.884 -2.349 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.554 -5.152 -1.104 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.910 -3.546 -0.688 1.00 0.00 H new ATOM 1501 N ILE A 96 -4.382 -3.724 0.384 1.00 0.00 N ATOM 1502 CA ILE A 96 -4.013 -2.650 1.300 1.00 0.00 C ATOM 1503 C ILE A 96 -4.617 -1.327 0.839 1.00 0.00 C ATOM 1504 O ILE A 96 -4.958 -1.168 -0.332 1.00 0.00 O ATOM 1505 CB ILE A 96 -2.471 -2.531 1.429 1.00 0.00 C ATOM 1506 CG1 ILE A 96 -1.965 -3.521 2.490 1.00 0.00 C ATOM 1507 CG2 ILE A 96 -2.040 -1.102 1.758 1.00 0.00 C ATOM 1508 CD1 ILE A 96 -1.597 -2.884 3.816 1.00 0.00 C ATOM 0 H ILE A 96 -3.641 -4.009 -0.256 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.414 -2.891 2.284 1.00 0.00 H new ATOM 0 HB ILE A 96 -2.024 -2.781 0.467 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.734 -4.274 2.663 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.092 -4.042 2.096 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -0.954 -1.059 1.840 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -2.371 -0.431 0.965 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -2.488 -0.795 2.703 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.250 -3.654 4.506 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -0.804 -2.152 3.661 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.472 -2.388 4.236 1.00 0.00 H new ATOM 1520 N GLN A 97 -4.761 -0.386 1.767 1.00 0.00 N ATOM 1521 CA GLN A 97 -5.337 0.916 1.450 1.00 0.00 C ATOM 1522 C GLN A 97 -4.483 2.051 2.004 1.00 0.00 C ATOM 1523 O GLN A 97 -4.522 2.343 3.200 1.00 0.00 O ATOM 1524 CB GLN A 97 -6.757 1.017 2.015 1.00 0.00 C ATOM 1525 CG GLN A 97 -7.818 1.282 0.958 1.00 0.00 C ATOM 1526 CD GLN A 97 -9.140 1.718 1.558 1.00 0.00 C ATOM 1527 OE1 GLN A 97 -9.217 2.737 2.244 1.00 0.00 O ATOM 1528 NE2 GLN A 97 -10.188 0.944 1.304 1.00 0.00 N ATOM 0 H GLN A 97 -4.487 -0.501 2.743 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.369 1.010 0.365 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.998 0.090 2.535 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.788 1.816 2.756 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.461 2.053 0.275 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -7.971 0.379 0.367 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -10.078 0.108 0.730 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -11.104 1.185 1.683 1.00 0.00 H new ATOM 1537 N LEU A 98 -3.729 2.701 1.126 1.00 0.00 N ATOM 1538 CA LEU A 98 -2.888 3.819 1.526 1.00 0.00 C ATOM 1539 C LEU A 98 -3.655 5.123 1.376 1.00 0.00 C ATOM 1540 O LEU A 98 -4.610 5.201 0.606 1.00 0.00 O ATOM 1541 CB LEU A 98 -1.613 3.864 0.686 1.00 0.00 C ATOM 1542 CG LEU A 98 -0.762 2.595 0.730 1.00 0.00 C ATOM 1543 CD1 LEU A 98 0.142 2.520 -0.492 1.00 0.00 C ATOM 1544 CD2 LEU A 98 0.058 2.547 2.011 1.00 0.00 C ATOM 0 H LEU A 98 -3.684 2.472 0.133 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.608 3.685 2.571 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.886 4.064 -0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.004 4.703 1.023 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.426 1.731 0.718 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.742 1.611 -0.446 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.468 2.507 -1.395 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.801 3.388 -0.511 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.658 1.637 2.025 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.715 3.415 2.055 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -0.611 2.554 2.872 1.00 0.00 H new ATOM 1556 N GLN A 99 -3.241 6.140 2.114 1.00 0.00 N ATOM 1557 CA GLN A 99 -3.907 7.437 2.056 1.00 0.00 C ATOM 1558 C GLN A 99 -3.233 8.358 1.044 1.00 0.00 C ATOM 1559 O GLN A 99 -2.006 8.451 0.993 1.00 0.00 O ATOM 1560 CB GLN A 99 -3.915 8.093 3.438 1.00 0.00 C ATOM 1561 CG GLN A 99 -5.212 7.885 4.201 1.00 0.00 C ATOM 1562 CD GLN A 99 -6.305 8.841 3.763 1.00 0.00 C ATOM 1563 OE1 GLN A 99 -7.179 8.484 2.974 1.00 0.00 O ATOM 1564 NE2 GLN A 99 -6.259 10.066 4.276 1.00 0.00 N ATOM 0 H GLN A 99 -2.451 6.096 2.758 1.00 0.00 H new ATOM 0 HA GLN A 99 -4.935 7.272 1.734 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.089 7.693 4.026 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -3.737 9.162 3.325 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -5.553 6.859 4.059 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -5.027 8.014 5.267 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -5.516 10.319 4.927 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -6.967 10.754 4.019 1.00 0.00 H new ATOM 1573 N GLY A 100 -4.046 9.036 0.240 1.00 0.00 N ATOM 1574 CA GLY A 100 -3.515 9.942 -0.762 1.00 0.00 C ATOM 1575 C GLY A 100 -3.033 9.216 -2.001 1.00 0.00 C ATOM 1576 O GLY A 100 -2.883 7.994 -1.990 1.00 0.00 O ATOM 0 H GLY A 100 -5.064 8.974 0.265 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -4.285 10.661 -1.042 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.690 10.510 -0.333 1.00 0.00 H new ATOM 1580 N ASP A 101 -2.789 9.964 -3.071 1.00 0.00 N ATOM 1581 CA ASP A 101 -2.321 9.377 -4.320 1.00 0.00 C ATOM 1582 C ASP A 101 -0.930 8.776 -4.149 1.00 0.00 C ATOM 1583 O ASP A 101 0.078 9.472 -4.272 1.00 0.00 O ATOM 1584 CB ASP A 101 -2.306 10.428 -5.431 1.00 0.00 C ATOM 1585 CG ASP A 101 -1.535 11.674 -5.040 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -2.112 12.533 -4.341 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -0.354 11.789 -5.431 1.00 0.00 O ATOM 0 H ASP A 101 -2.907 10.977 -3.098 1.00 0.00 H new ATOM 0 HA ASP A 101 -3.010 8.579 -4.598 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -1.863 9.997 -6.329 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -3.331 10.702 -5.681 1.00 0.00 H new ATOM 1592 N GLN A 102 -0.884 7.480 -3.861 1.00 0.00 N ATOM 1593 CA GLN A 102 0.381 6.780 -3.670 1.00 0.00 C ATOM 1594 C GLN A 102 0.678 5.844 -4.840 1.00 0.00 C ATOM 1595 O GLN A 102 1.649 5.091 -4.805 1.00 0.00 O ATOM 1596 CB GLN A 102 0.350 5.984 -2.362 1.00 0.00 C ATOM 1597 CG GLN A 102 1.138 6.629 -1.233 1.00 0.00 C ATOM 1598 CD GLN A 102 0.839 8.108 -1.074 1.00 0.00 C ATOM 1599 OE1 GLN A 102 1.726 8.903 -0.763 1.00 0.00 O ATOM 1600 NE2 GLN A 102 -0.417 8.485 -1.287 1.00 0.00 N ATOM 0 H GLN A 102 -1.710 6.892 -3.754 1.00 0.00 H new ATOM 0 HA GLN A 102 1.174 7.526 -3.621 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -0.686 5.862 -2.046 1.00 0.00 H new ATOM 0 HB3 GLN A 102 0.747 4.986 -2.546 1.00 0.00 H new ATOM 0 HG2 GLN A 102 0.911 6.115 -0.299 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.204 6.497 -1.419 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -1.121 7.793 -1.543 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.677 9.467 -1.194 1.00 0.00 H new ATOM 1609 N ARG A 103 -0.161 5.887 -5.874 1.00 0.00 N ATOM 1610 CA ARG A 103 0.026 5.031 -7.043 1.00 0.00 C ATOM 1611 C ARG A 103 1.475 5.068 -7.527 1.00 0.00 C ATOM 1612 O ARG A 103 1.981 4.093 -8.083 1.00 0.00 O ATOM 1613 CB ARG A 103 -0.933 5.448 -8.169 1.00 0.00 C ATOM 1614 CG ARG A 103 -0.422 6.583 -9.051 1.00 0.00 C ATOM 1615 CD ARG A 103 -0.442 7.918 -8.322 1.00 0.00 C ATOM 1616 NE ARG A 103 -1.412 8.842 -8.904 1.00 0.00 N ATOM 1617 CZ ARG A 103 -1.363 10.164 -8.752 1.00 0.00 C ATOM 1618 NH1 ARG A 103 -0.396 10.721 -8.033 1.00 0.00 N ATOM 1619 NH2 ARG A 103 -2.285 10.929 -9.319 1.00 0.00 N ATOM 0 H ARG A 103 -0.973 6.502 -5.926 1.00 0.00 H new ATOM 0 HA ARG A 103 -0.202 4.005 -6.753 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -1.134 4.580 -8.797 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -1.883 5.749 -7.727 1.00 0.00 H new ATOM 0 HG2 ARG A 103 0.595 6.361 -9.376 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -1.036 6.650 -9.949 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -0.682 7.754 -7.271 1.00 0.00 H new ATOM 0 HD3 ARG A 103 0.551 8.365 -8.356 1.00 0.00 H new ATOM 0 HE ARG A 103 -2.172 8.451 -9.460 1.00 0.00 H new ATOM 0 HH11 ARG A 103 0.315 10.136 -7.594 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -0.363 11.734 -7.920 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -3.031 10.505 -9.871 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -2.249 11.942 -9.203 1.00 0.00 H new ATOM 1633 N LYS A 104 2.138 6.199 -7.305 1.00 0.00 N ATOM 1634 CA LYS A 104 3.527 6.365 -7.715 1.00 0.00 C ATOM 1635 C LYS A 104 4.480 6.002 -6.579 1.00 0.00 C ATOM 1636 O LYS A 104 5.629 5.627 -6.817 1.00 0.00 O ATOM 1637 CB LYS A 104 3.776 7.805 -8.170 1.00 0.00 C ATOM 1638 CG LYS A 104 4.192 7.919 -9.627 1.00 0.00 C ATOM 1639 CD LYS A 104 5.598 7.386 -9.851 1.00 0.00 C ATOM 1640 CE LYS A 104 6.641 8.258 -9.168 1.00 0.00 C ATOM 1641 NZ LYS A 104 7.823 8.496 -10.043 1.00 0.00 N ATOM 0 H LYS A 104 1.735 7.014 -6.843 1.00 0.00 H new ATOM 0 HA LYS A 104 3.717 5.690 -8.549 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.869 8.389 -8.013 1.00 0.00 H new ATOM 0 HB3 LYS A 104 4.551 8.246 -7.544 1.00 0.00 H new ATOM 0 HG2 LYS A 104 3.489 7.367 -10.251 1.00 0.00 H new ATOM 0 HG3 LYS A 104 4.144 8.962 -9.939 1.00 0.00 H new ATOM 0 HD2 LYS A 104 5.667 6.368 -9.469 1.00 0.00 H new ATOM 0 HD3 LYS A 104 5.805 7.340 -10.920 1.00 0.00 H new ATOM 0 HE2 LYS A 104 6.193 9.213 -8.895 1.00 0.00 H new ATOM 0 HE3 LYS A 104 6.964 7.781 -8.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 8.511 9.094 -9.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 8.266 7.586 -10.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 7.519 8.974 -10.915 1.00 0.00 H new ATOM 1655 N ASN A 105 4.001 6.118 -5.343 1.00 0.00 N ATOM 1656 CA ASN A 105 4.817 5.804 -4.175 1.00 0.00 C ATOM 1657 C ASN A 105 4.769 4.313 -3.853 1.00 0.00 C ATOM 1658 O ASN A 105 5.786 3.716 -3.502 1.00 0.00 O ATOM 1659 CB ASN A 105 4.346 6.614 -2.966 1.00 0.00 C ATOM 1660 CG ASN A 105 5.114 7.910 -2.805 1.00 0.00 C ATOM 1661 OD1 ASN A 105 6.330 7.905 -2.605 1.00 0.00 O ATOM 1662 ND2 ASN A 105 4.408 9.032 -2.890 1.00 0.00 N ATOM 0 H ASN A 105 3.053 6.427 -5.125 1.00 0.00 H new ATOM 0 HA ASN A 105 5.848 6.071 -4.406 1.00 0.00 H new ATOM 0 HB2 ASN A 105 3.284 6.835 -3.071 1.00 0.00 H new ATOM 0 HB3 ASN A 105 4.459 6.013 -2.063 1.00 0.00 H new ATOM 0 HD21 ASN A 105 4.871 9.935 -2.789 1.00 0.00 H new ATOM 0 HD22 ASN A 105 3.403 8.991 -3.057 1.00 0.00 H new ATOM 1669 N ILE A 106 3.587 3.715 -3.970 1.00 0.00 N ATOM 1670 CA ILE A 106 3.429 2.294 -3.684 1.00 0.00 C ATOM 1671 C ILE A 106 4.284 1.452 -4.626 1.00 0.00 C ATOM 1672 O ILE A 106 5.065 0.615 -4.177 1.00 0.00 O ATOM 1673 CB ILE A 106 1.956 1.849 -3.763 1.00 0.00 C ATOM 1674 CG1 ILE A 106 1.811 0.415 -3.251 1.00 0.00 C ATOM 1675 CG2 ILE A 106 1.426 1.969 -5.184 1.00 0.00 C ATOM 1676 CD1 ILE A 106 2.340 0.223 -1.844 1.00 0.00 C ATOM 0 H ILE A 106 2.731 4.189 -4.259 1.00 0.00 H new ATOM 0 HA ILE A 106 3.769 2.136 -2.661 1.00 0.00 H new ATOM 0 HB ILE A 106 1.363 2.508 -3.129 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.759 0.132 -3.278 1.00 0.00 H new ATOM 0 HG13 ILE A 106 2.339 -0.259 -3.925 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.384 1.649 -5.212 1.00 0.00 H new ATOM 0 HG22 ILE A 106 1.496 3.006 -5.512 1.00 0.00 H new ATOM 0 HG23 ILE A 106 2.018 1.338 -5.847 1.00 0.00 H new ATOM 0 HD11 ILE A 106 2.206 -0.816 -1.544 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.400 0.475 -1.816 1.00 0.00 H new ATOM 0 HD13 ILE A 106 1.795 0.872 -1.159 1.00 0.00 H new ATOM 1688 N CYS A 107 4.165 1.697 -5.930 1.00 0.00 N ATOM 1689 CA CYS A 107 4.970 0.971 -6.907 1.00 0.00 C ATOM 1690 C CYS A 107 6.442 1.165 -6.569 1.00 0.00 C ATOM 1691 O CYS A 107 7.265 0.261 -6.724 1.00 0.00 O ATOM 1692 CB CYS A 107 4.682 1.472 -8.324 1.00 0.00 C ATOM 1693 SG CYS A 107 4.802 3.267 -8.508 1.00 0.00 S ATOM 0 H CYS A 107 3.526 2.385 -6.330 1.00 0.00 H new ATOM 0 HA CYS A 107 4.718 -0.089 -6.869 1.00 0.00 H new ATOM 0 HB2 CYS A 107 5.380 0.999 -9.015 1.00 0.00 H new ATOM 0 HB3 CYS A 107 3.681 1.153 -8.615 1.00 0.00 H new ATOM 0 HG CYS A 107 3.611 3.770 -8.646 1.00 0.00 H new ATOM 1699 N GLN A 108 6.746 2.361 -6.075 1.00 0.00 N ATOM 1700 CA GLN A 108 8.095 2.716 -5.667 1.00 0.00 C ATOM 1701 C GLN A 108 8.452 1.975 -4.380 1.00 0.00 C ATOM 1702 O GLN A 108 9.605 1.600 -4.165 1.00 0.00 O ATOM 1703 CB GLN A 108 8.179 4.241 -5.480 1.00 0.00 C ATOM 1704 CG GLN A 108 9.282 4.720 -4.546 1.00 0.00 C ATOM 1705 CD GLN A 108 10.562 5.061 -5.283 1.00 0.00 C ATOM 1706 OE1 GLN A 108 10.803 6.217 -5.631 1.00 0.00 O ATOM 1707 NE2 GLN A 108 11.392 4.053 -5.522 1.00 0.00 N ATOM 0 H GLN A 108 6.063 3.108 -5.948 1.00 0.00 H new ATOM 0 HA GLN A 108 8.812 2.423 -6.433 1.00 0.00 H new ATOM 0 HB2 GLN A 108 8.326 4.703 -6.456 1.00 0.00 H new ATOM 0 HB3 GLN A 108 7.222 4.597 -5.099 1.00 0.00 H new ATOM 0 HG2 GLN A 108 8.936 5.598 -4.001 1.00 0.00 H new ATOM 0 HG3 GLN A 108 9.488 3.947 -3.806 1.00 0.00 H new ATOM 0 HE21 GLN A 108 11.151 3.110 -5.215 1.00 0.00 H new ATOM 0 HE22 GLN A 108 12.270 4.221 -6.012 1.00 0.00 H new ATOM 1716 N PHE A 109 7.446 1.759 -3.536 1.00 0.00 N ATOM 1717 CA PHE A 109 7.639 1.052 -2.276 1.00 0.00 C ATOM 1718 C PHE A 109 7.824 -0.438 -2.528 1.00 0.00 C ATOM 1719 O PHE A 109 8.689 -1.078 -1.931 1.00 0.00 O ATOM 1720 CB PHE A 109 6.440 1.273 -1.351 1.00 0.00 C ATOM 1721 CG PHE A 109 6.625 0.687 0.020 1.00 0.00 C ATOM 1722 CD1 PHE A 109 7.528 1.246 0.909 1.00 0.00 C ATOM 1723 CD2 PHE A 109 5.897 -0.423 0.417 1.00 0.00 C ATOM 1724 CE1 PHE A 109 7.700 0.710 2.171 1.00 0.00 C ATOM 1725 CE2 PHE A 109 6.066 -0.965 1.678 1.00 0.00 C ATOM 1726 CZ PHE A 109 6.968 -0.398 2.556 1.00 0.00 C ATOM 0 H PHE A 109 6.488 2.065 -3.704 1.00 0.00 H new ATOM 0 HA PHE A 109 8.535 1.446 -1.796 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.255 2.343 -1.258 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.553 0.835 -1.808 1.00 0.00 H new ATOM 0 HD1 PHE A 109 8.104 2.110 0.613 1.00 0.00 H new ATOM 0 HD2 PHE A 109 5.190 -0.870 -0.266 1.00 0.00 H new ATOM 0 HE1 PHE A 109 8.406 1.156 2.856 1.00 0.00 H new ATOM 0 HE2 PHE A 109 5.493 -1.831 1.976 1.00 0.00 H new ATOM 0 HZ PHE A 109 7.102 -0.819 3.542 1.00 0.00 H new ATOM 1736 N LEU A 110 7.003 -0.982 -3.421 1.00 0.00 N ATOM 1737 CA LEU A 110 7.067 -2.397 -3.765 1.00 0.00 C ATOM 1738 C LEU A 110 8.452 -2.762 -4.285 1.00 0.00 C ATOM 1739 O LEU A 110 8.910 -3.892 -4.125 1.00 0.00 O ATOM 1740 CB LEU A 110 6.008 -2.733 -4.818 1.00 0.00 C ATOM 1741 CG LEU A 110 4.626 -3.117 -4.271 1.00 0.00 C ATOM 1742 CD1 LEU A 110 4.278 -2.288 -3.044 1.00 0.00 C ATOM 1743 CD2 LEU A 110 3.565 -2.941 -5.347 1.00 0.00 C ATOM 0 H LEU A 110 6.283 -0.461 -3.921 1.00 0.00 H new ATOM 0 HA LEU A 110 6.870 -2.978 -2.864 1.00 0.00 H new ATOM 0 HB2 LEU A 110 5.892 -1.873 -5.477 1.00 0.00 H new ATOM 0 HB3 LEU A 110 6.378 -3.556 -5.430 1.00 0.00 H new ATOM 0 HG LEU A 110 4.656 -4.166 -3.975 1.00 0.00 H new ATOM 0 HD11 LEU A 110 3.294 -2.579 -2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.022 -2.459 -2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 110 4.268 -1.231 -3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 110 2.590 -3.217 -4.945 1.00 0.00 H new ATOM 0 HD22 LEU A 110 3.543 -1.900 -5.670 1.00 0.00 H new ATOM 0 HD23 LEU A 110 3.801 -3.580 -6.198 1.00 0.00 H new ATOM 1755 N VAL A 111 9.114 -1.796 -4.909 1.00 0.00 N ATOM 1756 CA VAL A 111 10.447 -2.015 -5.453 1.00 0.00 C ATOM 1757 C VAL A 111 11.524 -1.601 -4.454 1.00 0.00 C ATOM 1758 O VAL A 111 12.620 -2.162 -4.441 1.00 0.00 O ATOM 1759 CB VAL A 111 10.646 -1.236 -6.767 1.00 0.00 C ATOM 1760 CG1 VAL A 111 12.018 -1.520 -7.362 1.00 0.00 C ATOM 1761 CG2 VAL A 111 9.546 -1.578 -7.760 1.00 0.00 C ATOM 0 H VAL A 111 8.749 -0.854 -5.051 1.00 0.00 H new ATOM 0 HA VAL A 111 10.540 -3.082 -5.655 1.00 0.00 H new ATOM 0 HB VAL A 111 10.589 -0.170 -6.545 1.00 0.00 H new ATOM 0 HG11 VAL A 111 12.136 -0.959 -8.289 1.00 0.00 H new ATOM 0 HG12 VAL A 111 12.791 -1.218 -6.655 1.00 0.00 H new ATOM 0 HG13 VAL A 111 12.111 -2.586 -7.569 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.702 -1.019 -8.683 1.00 0.00 H new ATOM 0 HG22 VAL A 111 9.569 -2.646 -7.975 1.00 0.00 H new ATOM 0 HG23 VAL A 111 8.577 -1.314 -7.335 1.00 0.00 H new ATOM 1771 N GLU A 112 11.206 -0.617 -3.619 1.00 0.00 N ATOM 1772 CA GLU A 112 12.148 -0.131 -2.617 1.00 0.00 C ATOM 1773 C GLU A 112 12.372 -1.175 -1.529 1.00 0.00 C ATOM 1774 O GLU A 112 13.482 -1.325 -1.016 1.00 0.00 O ATOM 1775 CB GLU A 112 11.633 1.167 -1.991 1.00 0.00 C ATOM 1776 CG GLU A 112 11.873 2.396 -2.851 1.00 0.00 C ATOM 1777 CD GLU A 112 13.000 3.263 -2.325 1.00 0.00 C ATOM 1778 OE1 GLU A 112 13.981 2.704 -1.793 1.00 0.00 O ATOM 1779 OE2 GLU A 112 12.900 4.503 -2.447 1.00 0.00 O ATOM 0 H GLU A 112 10.304 -0.141 -3.616 1.00 0.00 H new ATOM 0 HA GLU A 112 13.099 0.062 -3.113 1.00 0.00 H new ATOM 0 HB2 GLU A 112 10.564 1.070 -1.802 1.00 0.00 H new ATOM 0 HB3 GLU A 112 12.116 1.311 -1.024 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.105 2.083 -3.869 1.00 0.00 H new ATOM 0 HG3 GLU A 112 10.958 2.986 -2.899 1.00 0.00 H new ATOM 1786 N ILE A 113 11.309 -1.892 -1.179 1.00 0.00 N ATOM 1787 CA ILE A 113 11.383 -2.920 -0.148 1.00 0.00 C ATOM 1788 C ILE A 113 11.508 -4.314 -0.759 1.00 0.00 C ATOM 1789 O ILE A 113 11.978 -5.248 -0.109 1.00 0.00 O ATOM 1790 CB ILE A 113 10.138 -2.882 0.768 1.00 0.00 C ATOM 1791 CG1 ILE A 113 8.923 -3.486 0.051 1.00 0.00 C ATOM 1792 CG2 ILE A 113 9.848 -1.454 1.205 1.00 0.00 C ATOM 1793 CD1 ILE A 113 7.627 -3.350 0.819 1.00 0.00 C ATOM 0 H ILE A 113 10.385 -1.779 -1.595 1.00 0.00 H new ATOM 0 HA ILE A 113 12.273 -2.709 0.444 1.00 0.00 H new ATOM 0 HB ILE A 113 10.342 -3.480 1.656 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.810 -3.004 -0.920 1.00 0.00 H new ATOM 0 HG13 ILE A 113 9.113 -4.543 -0.137 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.969 -1.442 1.849 1.00 0.00 H new ATOM 0 HG22 ILE A 113 10.704 -1.060 1.752 1.00 0.00 H new ATOM 0 HG23 ILE A 113 9.663 -0.835 0.327 1.00 0.00 H new ATOM 0 HD11 ILE A 113 6.816 -3.801 0.247 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.719 -3.857 1.780 1.00 0.00 H new ATOM 0 HD13 ILE A 113 7.411 -2.294 0.985 1.00 0.00 H new ATOM 1805 N GLY A 114 11.064 -4.451 -2.004 1.00 0.00 N ATOM 1806 CA GLY A 114 11.115 -5.737 -2.671 1.00 0.00 C ATOM 1807 C GLY A 114 9.821 -6.506 -2.490 1.00 0.00 C ATOM 1808 O GLY A 114 9.820 -7.734 -2.422 1.00 0.00 O ATOM 0 H GLY A 114 10.670 -3.694 -2.562 1.00 0.00 H new ATOM 0 HA2 GLY A 114 11.307 -5.590 -3.734 1.00 0.00 H new ATOM 0 HA3 GLY A 114 11.946 -6.321 -2.275 1.00 0.00 H new ATOM 1812 N LEU A 115 8.719 -5.767 -2.404 1.00 0.00 N ATOM 1813 CA LEU A 115 7.402 -6.363 -2.219 1.00 0.00 C ATOM 1814 C LEU A 115 6.910 -7.016 -3.506 1.00 0.00 C ATOM 1815 O LEU A 115 6.825 -8.241 -3.600 1.00 0.00 O ATOM 1816 CB LEU A 115 6.405 -5.296 -1.759 1.00 0.00 C ATOM 1817 CG LEU A 115 5.290 -5.792 -0.838 1.00 0.00 C ATOM 1818 CD1 LEU A 115 5.862 -6.598 0.319 1.00 0.00 C ATOM 1819 CD2 LEU A 115 4.468 -4.622 -0.322 1.00 0.00 C ATOM 0 H LEU A 115 8.714 -4.749 -2.460 1.00 0.00 H new ATOM 0 HA LEU A 115 7.482 -7.136 -1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 115 6.954 -4.508 -1.244 1.00 0.00 H new ATOM 0 HB3 LEU A 115 5.950 -4.844 -2.641 1.00 0.00 H new ATOM 0 HG LEU A 115 4.636 -6.446 -1.414 1.00 0.00 H new ATOM 0 HD11 LEU A 115 5.050 -6.940 0.961 1.00 0.00 H new ATOM 0 HD12 LEU A 115 6.404 -7.459 -0.071 1.00 0.00 H new ATOM 0 HD13 LEU A 115 6.542 -5.972 0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 115 3.679 -4.992 0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 115 5.112 -3.943 0.236 1.00 0.00 H new ATOM 0 HD23 LEU A 115 4.023 -4.091 -1.163 1.00 0.00 H new ATOM 1831 N ALA A 116 6.588 -6.192 -4.496 1.00 0.00 N ATOM 1832 CA ALA A 116 6.108 -6.689 -5.777 1.00 0.00 C ATOM 1833 C ALA A 116 7.259 -6.824 -6.768 1.00 0.00 C ATOM 1834 O ALA A 116 8.427 -6.721 -6.394 1.00 0.00 O ATOM 1835 CB ALA A 116 5.036 -5.766 -6.333 1.00 0.00 C ATOM 0 H ALA A 116 6.651 -5.176 -4.435 1.00 0.00 H new ATOM 0 HA ALA A 116 5.673 -7.676 -5.621 1.00 0.00 H new ATOM 0 HB1 ALA A 116 4.686 -6.150 -7.291 1.00 0.00 H new ATOM 0 HB2 ALA A 116 4.200 -5.717 -5.635 1.00 0.00 H new ATOM 0 HB3 ALA A 116 5.452 -4.768 -6.472 1.00 0.00 H new ATOM 1841 N LYS A 117 6.924 -7.042 -8.035 1.00 0.00 N ATOM 1842 CA LYS A 117 7.934 -7.177 -9.078 1.00 0.00 C ATOM 1843 C LYS A 117 7.812 -6.040 -10.085 1.00 0.00 C ATOM 1844 O LYS A 117 6.708 -5.599 -10.403 1.00 0.00 O ATOM 1845 CB LYS A 117 7.795 -8.525 -9.787 1.00 0.00 C ATOM 1846 CG LYS A 117 8.735 -9.593 -9.251 1.00 0.00 C ATOM 1847 CD LYS A 117 10.131 -9.454 -9.839 1.00 0.00 C ATOM 1848 CE LYS A 117 11.090 -8.803 -8.855 1.00 0.00 C ATOM 1849 NZ LYS A 117 12.166 -9.739 -8.426 1.00 0.00 N ATOM 0 H LYS A 117 5.962 -7.129 -8.364 1.00 0.00 H new ATOM 0 HA LYS A 117 8.918 -7.128 -8.612 1.00 0.00 H new ATOM 0 HB2 LYS A 117 6.767 -8.874 -9.688 1.00 0.00 H new ATOM 0 HB3 LYS A 117 7.984 -8.388 -10.852 1.00 0.00 H new ATOM 0 HG2 LYS A 117 8.788 -9.520 -8.165 1.00 0.00 H new ATOM 0 HG3 LYS A 117 8.337 -10.580 -9.486 1.00 0.00 H new ATOM 0 HD2 LYS A 117 10.508 -10.438 -10.119 1.00 0.00 H new ATOM 0 HD3 LYS A 117 10.085 -8.859 -10.751 1.00 0.00 H new ATOM 0 HE2 LYS A 117 11.537 -7.921 -9.314 1.00 0.00 H new ATOM 0 HE3 LYS A 117 10.536 -8.461 -7.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 12.798 -9.257 -7.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 11.741 -10.569 -7.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 12.711 -10.046 -9.257 1.00 0.00 H new ATOM 1863 N ASP A 118 8.949 -5.565 -10.584 1.00 0.00 N ATOM 1864 CA ASP A 118 8.955 -4.474 -11.553 1.00 0.00 C ATOM 1865 C ASP A 118 8.048 -4.794 -12.737 1.00 0.00 C ATOM 1866 O ASP A 118 7.462 -3.897 -13.345 1.00 0.00 O ATOM 1867 CB ASP A 118 10.377 -4.192 -12.041 1.00 0.00 C ATOM 1868 CG ASP A 118 10.970 -5.357 -12.809 1.00 0.00 C ATOM 1869 OD1 ASP A 118 11.139 -6.439 -12.209 1.00 0.00 O ATOM 1870 OD2 ASP A 118 11.266 -5.186 -14.010 1.00 0.00 O ATOM 0 H ASP A 118 9.874 -5.916 -10.335 1.00 0.00 H new ATOM 0 HA ASP A 118 8.573 -3.582 -11.056 1.00 0.00 H new ATOM 0 HB2 ASP A 118 10.370 -3.307 -12.678 1.00 0.00 H new ATOM 0 HB3 ASP A 118 11.013 -3.964 -11.185 1.00 0.00 H new ATOM 1875 N ASP A 119 7.926 -6.079 -13.050 1.00 0.00 N ATOM 1876 CA ASP A 119 7.080 -6.519 -14.150 1.00 0.00 C ATOM 1877 C ASP A 119 5.617 -6.530 -13.719 1.00 0.00 C ATOM 1878 O ASP A 119 4.714 -6.391 -14.542 1.00 0.00 O ATOM 1879 CB ASP A 119 7.500 -7.913 -14.622 1.00 0.00 C ATOM 1880 CG ASP A 119 8.444 -7.860 -15.807 1.00 0.00 C ATOM 1881 OD1 ASP A 119 7.993 -7.484 -16.909 1.00 0.00 O ATOM 1882 OD2 ASP A 119 9.635 -8.194 -15.633 1.00 0.00 O ATOM 0 H ASP A 119 8.403 -6.834 -12.557 1.00 0.00 H new ATOM 0 HA ASP A 119 7.198 -5.820 -14.978 1.00 0.00 H new ATOM 0 HB2 ASP A 119 7.982 -8.442 -13.800 1.00 0.00 H new ATOM 0 HB3 ASP A 119 6.613 -8.485 -14.893 1.00 0.00 H new ATOM 1887 N GLN A 120 5.396 -6.694 -12.416 1.00 0.00 N ATOM 1888 CA GLN A 120 4.048 -6.720 -11.865 1.00 0.00 C ATOM 1889 C GLN A 120 3.524 -5.308 -11.611 1.00 0.00 C ATOM 1890 O GLN A 120 2.350 -5.125 -11.293 1.00 0.00 O ATOM 1891 CB GLN A 120 4.023 -7.508 -10.559 1.00 0.00 C ATOM 1892 CG GLN A 120 4.359 -8.981 -10.715 1.00 0.00 C ATOM 1893 CD GLN A 120 4.222 -9.736 -9.409 1.00 0.00 C ATOM 1894 OE1 GLN A 120 3.078 -9.571 -8.754 1.00 0.00 O flip ATOM 1895 NE2 GLN A 120 5.128 -10.458 -8.994 1.00 0.00 N flip ATOM 0 H GLN A 120 6.136 -6.811 -11.724 1.00 0.00 H new ATOM 0 HA GLN A 120 3.404 -7.205 -12.598 1.00 0.00 H new ATOM 0 HB2 GLN A 120 4.730 -7.057 -9.862 1.00 0.00 H new ATOM 0 HB3 GLN A 120 3.033 -7.418 -10.112 1.00 0.00 H new ATOM 0 HG2 GLN A 120 3.701 -9.426 -11.462 1.00 0.00 H new ATOM 0 HG3 GLN A 120 5.378 -9.083 -11.087 1.00 0.00 H new ATOM 0 HE21 GLN A 120 5.990 -10.555 -9.531 1.00 0.00 H new ATOM 0 HE22 GLN A 120 5.017 -10.960 -8.113 1.00 0.00 H new ATOM 1904 N LEU A 121 4.401 -4.316 -11.740 1.00 0.00 N ATOM 1905 CA LEU A 121 4.024 -2.924 -11.512 1.00 0.00 C ATOM 1906 C LEU A 121 2.791 -2.546 -12.328 1.00 0.00 C ATOM 1907 O LEU A 121 2.903 -2.088 -13.465 1.00 0.00 O ATOM 1908 CB LEU A 121 5.187 -1.993 -11.862 1.00 0.00 C ATOM 1909 CG LEU A 121 6.363 -2.029 -10.882 1.00 0.00 C ATOM 1910 CD1 LEU A 121 7.603 -1.410 -11.513 1.00 0.00 C ATOM 1911 CD2 LEU A 121 6.002 -1.312 -9.586 1.00 0.00 C ATOM 0 H LEU A 121 5.378 -4.450 -12.001 1.00 0.00 H new ATOM 0 HA LEU A 121 3.782 -2.812 -10.455 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.553 -2.252 -12.855 1.00 0.00 H new ATOM 0 HB3 LEU A 121 4.811 -0.971 -11.917 1.00 0.00 H new ATOM 0 HG LEU A 121 6.583 -3.070 -10.646 1.00 0.00 H new ATOM 0 HD11 LEU A 121 8.429 -1.444 -10.802 1.00 0.00 H new ATOM 0 HD12 LEU A 121 7.872 -1.969 -12.409 1.00 0.00 H new ATOM 0 HD13 LEU A 121 7.397 -0.373 -11.780 1.00 0.00 H new ATOM 0 HD21 LEU A 121 6.850 -1.348 -8.902 1.00 0.00 H new ATOM 0 HD22 LEU A 121 5.754 -0.273 -9.802 1.00 0.00 H new ATOM 0 HD23 LEU A 121 5.144 -1.802 -9.126 1.00 0.00 H new ATOM 1923 N LYS A 122 1.616 -2.741 -11.738 1.00 0.00 N ATOM 1924 CA LYS A 122 0.363 -2.421 -12.406 1.00 0.00 C ATOM 1925 C LYS A 122 -0.289 -1.201 -11.764 1.00 0.00 C ATOM 1926 O LYS A 122 -1.187 -1.332 -10.932 1.00 0.00 O ATOM 1927 CB LYS A 122 -0.586 -3.617 -12.352 1.00 0.00 C ATOM 1928 CG LYS A 122 -0.517 -4.502 -13.585 1.00 0.00 C ATOM 1929 CD LYS A 122 -1.116 -3.814 -14.801 1.00 0.00 C ATOM 1930 CE LYS A 122 -0.313 -4.106 -16.058 1.00 0.00 C ATOM 1931 NZ LYS A 122 -1.169 -4.115 -17.276 1.00 0.00 N ATOM 0 H LYS A 122 1.507 -3.120 -10.797 1.00 0.00 H new ATOM 0 HA LYS A 122 0.577 -2.190 -13.449 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -0.353 -4.216 -11.471 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -1.607 -3.255 -12.231 1.00 0.00 H new ATOM 0 HG2 LYS A 122 0.521 -4.763 -13.789 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -1.049 -5.434 -13.395 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -2.144 -4.148 -14.939 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -1.150 -2.738 -14.632 1.00 0.00 H new ATOM 0 HE2 LYS A 122 0.470 -3.356 -16.171 1.00 0.00 H new ATOM 0 HE3 LYS A 122 0.183 -5.071 -15.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -0.583 -4.318 -18.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -1.901 -4.848 -17.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -1.622 -3.186 -17.389 1.00 0.00 H new ATOM 1945 N VAL A 123 0.174 -0.016 -12.149 1.00 0.00 N ATOM 1946 CA VAL A 123 -0.360 1.226 -11.603 1.00 0.00 C ATOM 1947 C VAL A 123 -1.500 1.768 -12.459 1.00 0.00 C ATOM 1948 O VAL A 123 -1.306 2.103 -13.627 1.00 0.00 O ATOM 1949 CB VAL A 123 0.736 2.304 -11.480 1.00 0.00 C ATOM 1950 CG1 VAL A 123 1.253 2.712 -12.852 1.00 0.00 C ATOM 1951 CG2 VAL A 123 0.212 3.511 -10.719 1.00 0.00 C ATOM 0 H VAL A 123 0.917 0.110 -12.836 1.00 0.00 H new ATOM 0 HA VAL A 123 -0.742 0.991 -10.610 1.00 0.00 H new ATOM 0 HB VAL A 123 1.570 1.881 -10.920 1.00 0.00 H new ATOM 0 HG11 VAL A 123 2.025 3.473 -12.738 1.00 0.00 H new ATOM 0 HG12 VAL A 123 1.673 1.842 -13.356 1.00 0.00 H new ATOM 0 HG13 VAL A 123 0.432 3.114 -13.446 1.00 0.00 H new ATOM 0 HG21 VAL A 123 0.998 4.262 -10.642 1.00 0.00 H new ATOM 0 HG22 VAL A 123 -0.642 3.933 -11.249 1.00 0.00 H new ATOM 0 HG23 VAL A 123 -0.097 3.205 -9.720 1.00 0.00 H new ATOM 1961 N HIS A 124 -2.689 1.853 -11.870 1.00 0.00 N ATOM 1962 CA HIS A 124 -3.858 2.355 -12.583 1.00 0.00 C ATOM 1963 C HIS A 124 -4.461 3.561 -11.870 1.00 0.00 C ATOM 1964 O HIS A 124 -5.458 3.439 -11.157 1.00 0.00 O ATOM 1965 CB HIS A 124 -4.908 1.254 -12.720 1.00 0.00 C ATOM 1966 CG HIS A 124 -4.362 -0.018 -13.286 1.00 0.00 C ATOM 1967 ND1 HIS A 124 -4.570 -0.411 -14.590 1.00 0.00 N ATOM 1968 CD2 HIS A 124 -3.605 -0.986 -12.717 1.00 0.00 C ATOM 1969 CE1 HIS A 124 -3.966 -1.566 -14.801 1.00 0.00 C ATOM 1970 NE2 HIS A 124 -3.373 -1.938 -13.681 1.00 0.00 N ATOM 0 H HIS A 124 -2.868 1.581 -10.903 1.00 0.00 H new ATOM 0 HA HIS A 124 -3.536 2.669 -13.576 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -5.341 1.051 -11.741 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -5.716 1.610 -13.359 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -5.107 0.109 -15.284 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -3.250 -1.006 -11.697 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -3.958 -2.114 -15.732 1.00 0.00 H new ATOM 1979 N GLY A 125 -3.854 4.726 -12.071 1.00 0.00 N ATOM 1980 CA GLY A 125 -4.351 5.936 -11.445 1.00 0.00 C ATOM 1981 C GLY A 125 -5.713 6.338 -11.976 1.00 0.00 C ATOM 1982 O GLY A 125 -5.873 6.569 -13.175 1.00 0.00 O ATOM 0 H GLY A 125 -3.028 4.853 -12.656 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -4.413 5.786 -10.367 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -3.643 6.747 -11.614 1.00 0.00 H new ATOM 1986 N PHE A 126 -6.696 6.420 -11.085 1.00 0.00 N ATOM 1987 CA PHE A 126 -8.056 6.794 -11.470 1.00 0.00 C ATOM 1988 C PHE A 126 -8.057 8.017 -12.385 1.00 0.00 C ATOM 1989 O PHE A 126 -7.132 8.847 -12.263 1.00 0.00 O ATOM 1990 CB PHE A 126 -8.905 7.064 -10.221 1.00 0.00 C ATOM 1991 CG PHE A 126 -8.681 8.419 -9.608 1.00 0.00 C ATOM 1992 CD1 PHE A 126 -7.402 8.938 -9.485 1.00 0.00 C ATOM 1993 CD2 PHE A 126 -9.752 9.175 -9.159 1.00 0.00 C ATOM 1994 CE1 PHE A 126 -7.195 10.186 -8.925 1.00 0.00 C ATOM 1995 CE2 PHE A 126 -9.553 10.422 -8.598 1.00 0.00 C ATOM 1996 CZ PHE A 126 -8.273 10.928 -8.482 1.00 0.00 C ATOM 1997 OXT PHE A 126 -8.983 8.133 -13.215 1.00 0.00 O ATOM 0 H PHE A 126 -6.578 6.233 -10.089 1.00 0.00 H new ATOM 0 HA PHE A 126 -8.491 5.961 -12.023 1.00 0.00 H new ATOM 0 HB2 PHE A 126 -9.959 6.965 -10.482 1.00 0.00 H new ATOM 0 HB3 PHE A 126 -8.688 6.299 -9.475 1.00 0.00 H new ATOM 0 HD1 PHE A 126 -6.557 8.361 -9.830 1.00 0.00 H new ATOM 0 HD2 PHE A 126 -10.755 8.785 -9.249 1.00 0.00 H new ATOM 0 HE1 PHE A 126 -6.193 10.579 -8.834 1.00 0.00 H new ATOM 0 HE2 PHE A 126 -10.397 11.000 -8.251 1.00 0.00 H new ATOM 0 HZ PHE A 126 -8.115 11.903 -8.045 1.00 0.00 H new TER 2007 PHE A 126