USER MOD reduce.3.24.130724 H: found=0, std=0, add=830, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 827 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 NoAdj-H: A 53 HIS HD1 : A 53 HIS ND1 : A 109 ZNZN :(H bumps) USER MOD Set 1.1: A 55 SER OG : rot 180:sc= 0.571 USER MOD Set 1.2: A 59 LYS NZ :NH3+ -160:sc= 1.98 (180deg=1.21) USER MOD Set 2.1: A 20 SER OG : rot 180:sc= 0.419 USER MOD Set 2.2: A 27 SER OG : rot -82:sc= 0.451 USER MOD Set 3.1: A 9 TYR OH : rot -26:sc= 0.748 USER MOD Set 3.2: A 62 HIS : no HD1:sc= 0.0286 X(o=0.78,f=0.72) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -112:sc= 0.0411 (180deg=-0.000394) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.893 USER MOD Single : A 7 LYS NZ :NH3+ 176:sc= 1.22 (180deg=1.21) USER MOD Single : A 13 TYR OH : rot 180:sc= 0.486 USER MOD Single : A 15 LYS NZ :NH3+ 173:sc= 3.02 (180deg=2.85) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 136:sc= 0.109 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 165:sc= 0.749 (180deg=0.596) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl -179:sc= -0.25 (180deg=-0.254) USER MOD Single : A 38 MET CE :methyl 164:sc= -1.45 (180deg=-2.4!) USER MOD Single : A 40 GLN : amide:sc= 0.796 K(o=0.8,f=0) USER MOD Single : A 41 SER OG : rot 130:sc= 0.323 USER MOD Single : A 43 MET CE :methyl 153:sc= -0.142 (180deg=-0.717) USER MOD Single : A 47 LYS NZ :NH3+ 158:sc= 1.98 (180deg=1.34) USER MOD Single : A 50 HIS : no HD1:sc= -0.103 X(o=-0.1,f=-0.53) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -0.179 X(o=-0.18,f=-0.05) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= 0.998 K(o=1,f=-0.33) USER MOD Single : A 83 GLN : amide:sc=-0.00185 X(o=-0.0019,f=-0.0019) USER MOD Single : A 84 LYS NZ :NH3+ 172:sc= 1.24 (180deg=1.12) USER MOD Single : A 86 LYS NZ :NH3+ 156:sc= 1.21 (180deg=0.923) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 70:sc= 1.26 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.00246 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 1.02 K(o=1,f=-1.2) USER MOD Single : A 104 SER OG : rot -90:sc= 0.408 USER MOD Single : A 105 LYS NZ :NH3+ 176:sc= 1.04 (180deg=0.94) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.596 -2.592 25.461 1.00 0.00 N ATOM 2 CA MET A 1 1.192 -1.514 24.625 1.00 0.00 C ATOM 3 C MET A 1 0.338 -1.265 23.378 1.00 0.00 C ATOM 4 O MET A 1 -0.359 -2.168 22.911 1.00 0.00 O ATOM 5 CB MET A 1 2.648 -1.824 24.213 1.00 0.00 C ATOM 6 CG MET A 1 3.627 -1.837 25.395 1.00 0.00 C ATOM 7 SD MET A 1 5.357 -2.098 24.910 1.00 0.00 S ATOM 8 CE MET A 1 6.145 -2.046 26.543 1.00 0.00 C ATOM 0 H1 MET A 1 0.247 -2.187 26.353 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.194 -3.032 24.948 1.00 0.00 H new ATOM 0 H3 MET A 1 1.318 -3.311 25.667 1.00 0.00 H new ATOM 0 HA MET A 1 1.210 -0.613 25.239 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.678 -2.793 23.715 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.978 -1.082 23.486 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.548 -0.891 25.930 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.332 -2.623 26.091 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.220 -2.191 26.433 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.955 -1.079 27.008 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.735 -2.837 27.170 1.00 0.00 H new ATOM 20 N ALA A 2 0.391 -0.050 22.821 1.00 0.00 N ATOM 21 CA ALA A 2 -0.289 0.305 21.569 1.00 0.00 C ATOM 22 C ALA A 2 0.372 -0.346 20.333 1.00 0.00 C ATOM 23 O ALA A 2 1.565 -0.661 20.341 1.00 0.00 O ATOM 24 CB ALA A 2 -0.337 1.835 21.454 1.00 0.00 C ATOM 0 H ALA A 2 0.913 0.724 23.231 1.00 0.00 H new ATOM 0 HA ALA A 2 -1.305 -0.089 21.595 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -0.840 2.115 20.528 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.884 2.247 22.302 1.00 0.00 H new ATOM 0 HB3 ALA A 2 0.678 2.232 21.450 1.00 0.00 H new ATOM 30 N GLU A 3 -0.401 -0.540 19.259 1.00 0.00 N ATOM 31 CA GLU A 3 0.036 -1.200 18.019 1.00 0.00 C ATOM 32 C GLU A 3 -0.682 -0.626 16.779 1.00 0.00 C ATOM 33 O GLU A 3 -1.861 -0.263 16.842 1.00 0.00 O ATOM 34 CB GLU A 3 -0.195 -2.719 18.168 1.00 0.00 C ATOM 35 CG GLU A 3 0.276 -3.585 16.991 1.00 0.00 C ATOM 36 CD GLU A 3 1.770 -3.388 16.678 1.00 0.00 C ATOM 37 OE1 GLU A 3 2.623 -4.105 17.252 1.00 0.00 O ATOM 38 OE2 GLU A 3 2.078 -2.499 15.848 1.00 0.00 O ATOM 0 H GLU A 3 -1.374 -0.235 19.225 1.00 0.00 H new ATOM 0 HA GLU A 3 1.097 -1.010 17.861 1.00 0.00 H new ATOM 0 HB2 GLU A 3 0.314 -3.058 19.070 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -1.261 -2.892 18.319 1.00 0.00 H new ATOM 0 HG2 GLU A 3 0.091 -4.635 17.219 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -0.313 -3.342 16.106 1.00 0.00 H new ATOM 45 N SER A 4 0.030 -0.577 15.648 1.00 0.00 N ATOM 46 CA SER A 4 -0.430 -0.049 14.347 1.00 0.00 C ATOM 47 C SER A 4 -0.138 -0.988 13.163 1.00 0.00 C ATOM 48 O SER A 4 -0.639 -0.760 12.062 1.00 0.00 O ATOM 49 CB SER A 4 0.217 1.317 14.070 1.00 0.00 C ATOM 50 OG SER A 4 -0.058 2.246 15.112 1.00 0.00 O ATOM 0 H SER A 4 0.990 -0.920 15.607 1.00 0.00 H new ATOM 0 HA SER A 4 -1.513 0.043 14.428 1.00 0.00 H new ATOM 0 HB2 SER A 4 1.295 1.195 13.965 1.00 0.00 H new ATOM 0 HB3 SER A 4 -0.153 1.711 13.123 1.00 0.00 H new ATOM 0 HG SER A 4 0.369 3.104 14.906 1.00 0.00 H new ATOM 56 N SER A 5 0.645 -2.053 13.377 1.00 0.00 N ATOM 57 CA SER A 5 1.089 -3.030 12.365 1.00 0.00 C ATOM 58 C SER A 5 0.478 -4.423 12.546 1.00 0.00 C ATOM 59 O SER A 5 0.880 -5.366 11.868 1.00 0.00 O ATOM 60 CB SER A 5 2.622 -3.099 12.317 1.00 0.00 C ATOM 61 OG SER A 5 3.173 -1.851 11.916 1.00 0.00 O ATOM 0 H SER A 5 1.006 -2.271 14.306 1.00 0.00 H new ATOM 0 HA SER A 5 0.719 -2.668 11.406 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.009 -3.373 13.298 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.934 -3.879 11.622 1.00 0.00 H new ATOM 0 HG SER A 5 4.151 -1.917 11.894 1.00 0.00 H new ATOM 67 N ASP A 6 -0.542 -4.568 13.401 1.00 0.00 N ATOM 68 CA ASP A 6 -1.334 -5.807 13.511 1.00 0.00 C ATOM 69 C ASP A 6 -2.592 -5.789 12.614 1.00 0.00 C ATOM 70 O ASP A 6 -3.594 -6.460 12.866 1.00 0.00 O ATOM 71 CB ASP A 6 -1.592 -6.173 14.981 1.00 0.00 C ATOM 72 CG ASP A 6 -2.119 -7.612 15.149 1.00 0.00 C ATOM 73 OD1 ASP A 6 -1.724 -8.500 14.353 1.00 0.00 O ATOM 74 OD2 ASP A 6 -2.901 -7.862 16.098 1.00 0.00 O ATOM 0 H ASP A 6 -0.844 -3.831 14.038 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.739 -6.627 13.108 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -0.668 -6.060 15.548 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -2.313 -5.474 15.405 1.00 0.00 H new ATOM 79 N LYS A 7 -2.520 -5.004 11.536 1.00 0.00 N ATOM 80 CA LYS A 7 -3.419 -5.040 10.378 1.00 0.00 C ATOM 81 C LYS A 7 -3.146 -6.272 9.510 1.00 0.00 C ATOM 82 O LYS A 7 -2.378 -7.164 9.881 1.00 0.00 O ATOM 83 CB LYS A 7 -3.231 -3.734 9.582 1.00 0.00 C ATOM 84 CG LYS A 7 -3.422 -2.411 10.330 1.00 0.00 C ATOM 85 CD LYS A 7 -4.826 -2.193 10.901 1.00 0.00 C ATOM 86 CE LYS A 7 -5.028 -2.849 12.270 1.00 0.00 C ATOM 87 NZ LYS A 7 -6.476 -2.961 12.584 1.00 0.00 N ATOM 0 H LYS A 7 -1.797 -4.290 11.442 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.454 -5.117 10.711 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.225 -3.739 9.161 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.927 -3.749 8.744 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.702 -2.364 11.147 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.189 -1.590 9.652 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.014 -1.123 10.987 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.562 -2.591 10.202 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.571 -3.838 12.277 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.527 -2.261 13.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.598 -3.468 13.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.888 -2.010 12.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.957 -3.484 11.824 1.00 0.00 H new ATOM 101 N LEU A 8 -3.739 -6.276 8.322 1.00 0.00 N ATOM 102 CA LEU A 8 -3.265 -7.005 7.150 1.00 0.00 C ATOM 103 C LEU A 8 -2.556 -6.096 6.144 1.00 0.00 C ATOM 104 O LEU A 8 -1.722 -6.585 5.387 1.00 0.00 O ATOM 105 CB LEU A 8 -4.474 -7.628 6.439 1.00 0.00 C ATOM 106 CG LEU A 8 -5.339 -8.589 7.261 1.00 0.00 C ATOM 107 CD1 LEU A 8 -6.582 -8.906 6.432 1.00 0.00 C ATOM 108 CD2 LEU A 8 -4.587 -9.878 7.586 1.00 0.00 C ATOM 0 H LEU A 8 -4.595 -5.752 8.141 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.556 -7.756 7.497 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.111 -6.819 6.081 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.113 -8.163 5.560 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.605 -8.124 8.210 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -7.224 -9.590 6.986 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.126 -7.984 6.225 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -6.284 -9.370 5.492 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -5.230 -10.537 8.170 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.302 -10.377 6.659 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.692 -9.642 8.161 1.00 0.00 H new ATOM 120 N TYR A 9 -2.880 -4.798 6.109 1.00 0.00 N ATOM 121 CA TYR A 9 -2.555 -3.902 5.012 1.00 0.00 C ATOM 122 C TYR A 9 -2.028 -2.559 5.544 1.00 0.00 C ATOM 123 O TYR A 9 -2.311 -2.140 6.669 1.00 0.00 O ATOM 124 CB TYR A 9 -3.814 -3.734 4.140 1.00 0.00 C ATOM 125 CG TYR A 9 -4.527 -5.013 3.727 1.00 0.00 C ATOM 126 CD1 TYR A 9 -3.820 -6.044 3.079 1.00 0.00 C ATOM 127 CD2 TYR A 9 -5.901 -5.176 3.995 1.00 0.00 C ATOM 128 CE1 TYR A 9 -4.475 -7.230 2.700 1.00 0.00 C ATOM 129 CE2 TYR A 9 -6.560 -6.365 3.631 1.00 0.00 C ATOM 130 CZ TYR A 9 -5.849 -7.395 2.977 1.00 0.00 C ATOM 131 OH TYR A 9 -6.488 -8.543 2.620 1.00 0.00 O ATOM 0 H TYR A 9 -3.388 -4.338 6.865 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.756 -4.321 4.400 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.523 -3.107 4.681 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.534 -3.192 3.237 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -2.767 -5.923 2.871 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.451 -4.384 4.482 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -3.927 -8.013 2.198 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -7.610 -6.490 3.852 1.00 0.00 H new ATOM 0 HH TYR A 9 -6.021 -8.956 1.864 1.00 0.00 H new ATOM 141 N ARG A 10 -1.230 -1.877 4.728 1.00 0.00 N ATOM 142 CA ARG A 10 -0.495 -0.660 5.072 1.00 0.00 C ATOM 143 C ARG A 10 -0.359 0.207 3.817 1.00 0.00 C ATOM 144 O ARG A 10 -0.185 -0.334 2.727 1.00 0.00 O ATOM 145 CB ARG A 10 0.863 -1.108 5.657 1.00 0.00 C ATOM 146 CG ARG A 10 1.980 -0.057 5.730 1.00 0.00 C ATOM 147 CD ARG A 10 1.725 1.110 6.691 1.00 0.00 C ATOM 148 NE ARG A 10 1.473 0.740 8.101 1.00 0.00 N ATOM 149 CZ ARG A 10 2.157 -0.023 8.936 1.00 0.00 C ATOM 150 NH1 ARG A 10 3.241 -0.674 8.627 1.00 0.00 N ATOM 151 NH2 ARG A 10 1.738 -0.123 10.155 1.00 0.00 N ATOM 0 H ARG A 10 -1.069 -2.170 3.764 1.00 0.00 H new ATOM 0 HA ARG A 10 -1.007 -0.049 5.815 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.688 -1.485 6.665 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.227 -1.946 5.062 1.00 0.00 H new ATOM 0 HG2 ARG A 10 2.904 -0.554 6.026 1.00 0.00 H new ATOM 0 HG3 ARG A 10 2.141 0.347 4.730 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.586 1.777 6.659 1.00 0.00 H new ATOM 0 HD3 ARG A 10 0.869 1.677 6.325 1.00 0.00 H new ATOM 0 HE ARG A 10 0.624 1.144 8.498 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.619 -0.615 7.682 1.00 0.00 H new ATOM 0 HH12 ARG A 10 3.712 -1.243 9.330 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.901 0.379 10.449 1.00 0.00 H new ATOM 0 HH22 ARG A 10 2.245 -0.704 10.822 1.00 0.00 H new ATOM 165 N VAL A 11 -0.422 1.528 3.946 1.00 0.00 N ATOM 166 CA VAL A 11 -0.153 2.506 2.876 1.00 0.00 C ATOM 167 C VAL A 11 0.620 3.698 3.437 1.00 0.00 C ATOM 168 O VAL A 11 0.424 4.070 4.592 1.00 0.00 O ATOM 169 CB VAL A 11 -1.476 2.946 2.218 1.00 0.00 C ATOM 170 CG1 VAL A 11 -2.317 3.889 3.083 1.00 0.00 C ATOM 171 CG2 VAL A 11 -1.270 3.673 0.883 1.00 0.00 C ATOM 0 H VAL A 11 -0.671 1.973 4.830 1.00 0.00 H new ATOM 0 HA VAL A 11 0.464 2.041 2.107 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.997 2.000 2.075 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.231 4.153 2.551 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.573 3.393 4.019 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.747 4.793 3.295 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -2.238 3.957 0.470 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.668 4.567 1.045 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.757 3.012 0.184 1.00 0.00 H new ATOM 181 N GLU A 12 1.486 4.321 2.642 1.00 0.00 N ATOM 182 CA GLU A 12 2.073 5.616 3.002 1.00 0.00 C ATOM 183 C GLU A 12 2.509 6.447 1.790 1.00 0.00 C ATOM 184 O GLU A 12 2.845 5.911 0.729 1.00 0.00 O ATOM 185 CB GLU A 12 3.250 5.443 3.986 1.00 0.00 C ATOM 186 CG GLU A 12 4.543 4.853 3.394 1.00 0.00 C ATOM 187 CD GLU A 12 5.767 4.989 4.321 1.00 0.00 C ATOM 188 OE1 GLU A 12 5.618 5.384 5.504 1.00 0.00 O ATOM 189 OE2 GLU A 12 6.899 4.740 3.838 1.00 0.00 O ATOM 0 H GLU A 12 1.799 3.953 1.744 1.00 0.00 H new ATOM 0 HA GLU A 12 1.276 6.174 3.493 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.483 6.416 4.418 1.00 0.00 H new ATOM 0 HB3 GLU A 12 2.923 4.801 4.804 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.382 3.798 3.172 1.00 0.00 H new ATOM 0 HG3 GLU A 12 4.758 5.349 2.448 1.00 0.00 H new ATOM 196 N TYR A 13 2.611 7.763 1.996 1.00 0.00 N ATOM 197 CA TYR A 13 3.604 8.575 1.292 1.00 0.00 C ATOM 198 C TYR A 13 4.999 8.212 1.826 1.00 0.00 C ATOM 199 O TYR A 13 5.214 8.187 3.041 1.00 0.00 O ATOM 200 CB TYR A 13 3.332 10.073 1.504 1.00 0.00 C ATOM 201 CG TYR A 13 2.059 10.672 0.921 1.00 0.00 C ATOM 202 CD1 TYR A 13 1.144 9.924 0.147 1.00 0.00 C ATOM 203 CD2 TYR A 13 1.815 12.041 1.152 1.00 0.00 C ATOM 204 CE1 TYR A 13 -0.004 10.544 -0.387 1.00 0.00 C ATOM 205 CE2 TYR A 13 0.673 12.665 0.617 1.00 0.00 C ATOM 206 CZ TYR A 13 -0.239 11.915 -0.155 1.00 0.00 C ATOM 207 OH TYR A 13 -1.341 12.512 -0.677 1.00 0.00 O ATOM 0 H TYR A 13 2.020 8.286 2.642 1.00 0.00 H new ATOM 0 HA TYR A 13 3.547 8.372 0.223 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.324 10.259 2.578 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.177 10.625 1.091 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.324 8.875 -0.036 1.00 0.00 H new ATOM 0 HD2 TYR A 13 2.511 12.616 1.745 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -0.704 9.968 -0.974 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.495 13.715 0.797 1.00 0.00 H new ATOM 0 HH TYR A 13 -1.352 13.458 -0.422 1.00 0.00 H new ATOM 217 N ALA A 14 5.936 7.911 0.932 1.00 0.00 N ATOM 218 CA ALA A 14 7.258 7.378 1.252 1.00 0.00 C ATOM 219 C ALA A 14 8.236 8.443 1.795 1.00 0.00 C ATOM 220 O ALA A 14 8.446 9.479 1.158 1.00 0.00 O ATOM 221 CB ALA A 14 7.782 6.706 -0.021 1.00 0.00 C ATOM 0 H ALA A 14 5.792 8.035 -0.070 1.00 0.00 H new ATOM 0 HA ALA A 14 7.176 6.659 2.067 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.772 6.290 0.168 1.00 0.00 H new ATOM 0 HB2 ALA A 14 7.103 5.906 -0.316 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.845 7.443 -0.822 1.00 0.00 H new ATOM 227 N LYS A 15 8.878 8.164 2.942 1.00 0.00 N ATOM 228 CA LYS A 15 9.808 9.087 3.637 1.00 0.00 C ATOM 229 C LYS A 15 11.256 8.945 3.149 1.00 0.00 C ATOM 230 O LYS A 15 11.958 9.943 2.983 1.00 0.00 O ATOM 231 CB LYS A 15 9.770 8.886 5.168 1.00 0.00 C ATOM 232 CG LYS A 15 8.483 9.362 5.863 1.00 0.00 C ATOM 233 CD LYS A 15 7.338 8.353 5.742 1.00 0.00 C ATOM 234 CE LYS A 15 6.046 8.885 6.357 1.00 0.00 C ATOM 235 NZ LYS A 15 4.913 8.049 5.906 1.00 0.00 N ATOM 0 H LYS A 15 8.766 7.273 3.427 1.00 0.00 H new ATOM 0 HA LYS A 15 9.461 10.091 3.394 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.908 7.826 5.382 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.617 9.413 5.608 1.00 0.00 H new ATOM 0 HG2 LYS A 15 8.691 9.545 6.917 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.171 10.313 5.430 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.170 8.118 4.691 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.619 7.423 6.236 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.114 8.870 7.445 1.00 0.00 H new ATOM 0 HE3 LYS A 15 5.889 9.922 6.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 4.050 8.331 6.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.772 8.178 4.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.119 7.049 6.104 1.00 0.00 H new ATOM 249 N SER A 16 11.671 7.702 2.899 1.00 0.00 N ATOM 250 CA SER A 16 13.023 7.288 2.496 1.00 0.00 C ATOM 251 C SER A 16 12.935 6.117 1.513 1.00 0.00 C ATOM 252 O SER A 16 12.070 5.248 1.649 1.00 0.00 O ATOM 253 CB SER A 16 13.851 6.873 3.722 1.00 0.00 C ATOM 254 OG SER A 16 14.005 7.963 4.618 1.00 0.00 O ATOM 0 H SER A 16 11.037 6.907 2.976 1.00 0.00 H new ATOM 0 HA SER A 16 13.514 8.133 2.014 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.363 6.043 4.232 1.00 0.00 H new ATOM 0 HB3 SER A 16 14.831 6.518 3.402 1.00 0.00 H new ATOM 0 HG SER A 16 14.534 7.678 5.392 1.00 0.00 H new ATOM 260 N GLY A 17 13.826 6.065 0.523 1.00 0.00 N ATOM 261 CA GLY A 17 13.798 5.101 -0.589 1.00 0.00 C ATOM 262 C GLY A 17 14.393 3.719 -0.282 1.00 0.00 C ATOM 263 O GLY A 17 14.957 3.086 -1.176 1.00 0.00 O ATOM 0 H GLY A 17 14.614 6.711 0.466 1.00 0.00 H new ATOM 0 HA2 GLY A 17 12.764 4.969 -0.907 1.00 0.00 H new ATOM 0 HA3 GLY A 17 14.338 5.530 -1.433 1.00 0.00 H new ATOM 267 N ARG A 18 14.324 3.266 0.978 1.00 0.00 N ATOM 268 CA ARG A 18 14.938 2.012 1.468 1.00 0.00 C ATOM 269 C ARG A 18 14.070 0.756 1.276 1.00 0.00 C ATOM 270 O ARG A 18 14.600 -0.353 1.342 1.00 0.00 O ATOM 271 CB ARG A 18 15.335 2.183 2.950 1.00 0.00 C ATOM 272 CG ARG A 18 16.758 2.719 3.173 1.00 0.00 C ATOM 273 CD ARG A 18 17.040 4.102 2.570 1.00 0.00 C ATOM 274 NE ARG A 18 18.323 4.630 3.077 1.00 0.00 N ATOM 275 CZ ARG A 18 18.824 5.838 2.890 1.00 0.00 C ATOM 276 NH1 ARG A 18 18.283 6.700 2.080 1.00 0.00 N ATOM 277 NH2 ARG A 18 19.899 6.207 3.526 1.00 0.00 N ATOM 0 H ARG A 18 13.826 3.773 1.710 1.00 0.00 H new ATOM 0 HA ARG A 18 15.820 1.838 0.852 1.00 0.00 H new ATOM 0 HB2 ARG A 18 14.627 2.861 3.426 1.00 0.00 H new ATOM 0 HB3 ARG A 18 15.241 1.220 3.451 1.00 0.00 H new ATOM 0 HG2 ARG A 18 16.948 2.763 4.245 1.00 0.00 H new ATOM 0 HG3 ARG A 18 17.467 2.006 2.752 1.00 0.00 H new ATOM 0 HD2 ARG A 18 17.072 4.033 1.483 1.00 0.00 H new ATOM 0 HD3 ARG A 18 16.231 4.788 2.822 1.00 0.00 H new ATOM 0 HE ARG A 18 18.886 3.989 3.635 1.00 0.00 H new ATOM 0 HH11 ARG A 18 17.440 6.453 1.561 1.00 0.00 H new ATOM 0 HH12 ARG A 18 18.701 7.623 1.964 1.00 0.00 H new ATOM 0 HH21 ARG A 18 20.357 5.563 4.171 1.00 0.00 H new ATOM 0 HH22 ARG A 18 20.283 7.140 3.379 1.00 0.00 H new ATOM 291 N ALA A 19 12.762 0.905 1.047 1.00 0.00 N ATOM 292 CA ALA A 19 11.849 -0.213 0.805 1.00 0.00 C ATOM 293 C ALA A 19 12.040 -0.806 -0.604 1.00 0.00 C ATOM 294 O ALA A 19 12.306 -0.075 -1.564 1.00 0.00 O ATOM 295 CB ALA A 19 10.407 0.252 1.044 1.00 0.00 C ATOM 0 H ALA A 19 12.303 1.816 1.024 1.00 0.00 H new ATOM 0 HA ALA A 19 12.076 -1.017 1.505 1.00 0.00 H new ATOM 0 HB1 ALA A 19 9.723 -0.577 0.865 1.00 0.00 H new ATOM 0 HB2 ALA A 19 10.301 0.594 2.073 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.171 1.070 0.364 1.00 0.00 H new ATOM 301 N SER A 20 11.853 -2.122 -0.737 1.00 0.00 N ATOM 302 CA SER A 20 12.051 -2.860 -1.994 1.00 0.00 C ATOM 303 C SER A 20 10.814 -3.666 -2.363 1.00 0.00 C ATOM 304 O SER A 20 10.231 -4.345 -1.516 1.00 0.00 O ATOM 305 CB SER A 20 13.287 -3.760 -1.936 1.00 0.00 C ATOM 306 OG SER A 20 14.462 -2.965 -1.885 1.00 0.00 O ATOM 0 H SER A 20 11.555 -2.717 0.036 1.00 0.00 H new ATOM 0 HA SER A 20 12.219 -2.119 -2.776 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.236 -4.406 -1.060 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.315 -4.410 -2.810 1.00 0.00 H new ATOM 0 HG SER A 20 15.249 -3.547 -1.846 1.00 0.00 H new ATOM 312 N CYS A 21 10.423 -3.575 -3.634 1.00 0.00 N ATOM 313 CA CYS A 21 9.168 -4.100 -4.152 1.00 0.00 C ATOM 314 C CYS A 21 9.211 -5.628 -4.289 1.00 0.00 C ATOM 315 O CYS A 21 9.992 -6.187 -5.065 1.00 0.00 O ATOM 316 CB CYS A 21 8.896 -3.389 -5.475 1.00 0.00 C ATOM 317 SG CYS A 21 7.240 -3.806 -6.120 1.00 0.00 S ATOM 0 H CYS A 21 10.990 -3.120 -4.349 1.00 0.00 H new ATOM 0 HA CYS A 21 8.348 -3.905 -3.461 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.973 -2.311 -5.334 1.00 0.00 H new ATOM 0 HB3 CYS A 21 9.655 -3.670 -6.205 1.00 0.00 H new ATOM 322 N LYS A 22 8.346 -6.319 -3.541 1.00 0.00 N ATOM 323 CA LYS A 22 8.288 -7.792 -3.500 1.00 0.00 C ATOM 324 C LYS A 22 7.638 -8.413 -4.751 1.00 0.00 C ATOM 325 O LYS A 22 7.662 -9.635 -4.909 1.00 0.00 O ATOM 326 CB LYS A 22 7.554 -8.245 -2.222 1.00 0.00 C ATOM 327 CG LYS A 22 8.023 -7.595 -0.913 1.00 0.00 C ATOM 328 CD LYS A 22 9.438 -7.975 -0.463 1.00 0.00 C ATOM 329 CE LYS A 22 9.563 -9.476 -0.166 1.00 0.00 C ATOM 330 NZ LYS A 22 10.919 -9.824 0.337 1.00 0.00 N ATOM 0 H LYS A 22 7.656 -5.871 -2.938 1.00 0.00 H new ATOM 0 HA LYS A 22 9.316 -8.154 -3.487 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.490 -8.041 -2.346 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.662 -9.325 -2.128 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.974 -6.512 -1.027 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.323 -7.864 -0.122 1.00 0.00 H new ATOM 0 HD2 LYS A 22 10.152 -7.698 -1.239 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.700 -7.406 0.429 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.815 -9.765 0.573 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.353 -10.045 -1.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.967 -10.845 0.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 11.630 -9.571 -0.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.109 -9.299 1.215 1.00 0.00 H new ATOM 344 N LYS A 23 7.054 -7.583 -5.627 1.00 0.00 N ATOM 345 CA LYS A 23 6.331 -7.980 -6.852 1.00 0.00 C ATOM 346 C LYS A 23 7.189 -7.825 -8.112 1.00 0.00 C ATOM 347 O LYS A 23 7.332 -8.801 -8.850 1.00 0.00 O ATOM 348 CB LYS A 23 5.012 -7.191 -6.923 1.00 0.00 C ATOM 349 CG LYS A 23 4.210 -7.291 -8.236 1.00 0.00 C ATOM 350 CD LYS A 23 3.756 -8.701 -8.650 1.00 0.00 C ATOM 351 CE LYS A 23 2.863 -9.379 -7.605 1.00 0.00 C ATOM 352 NZ LYS A 23 2.343 -10.680 -8.109 1.00 0.00 N ATOM 0 H LYS A 23 7.071 -6.571 -5.499 1.00 0.00 H new ATOM 0 HA LYS A 23 6.099 -9.044 -6.805 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.371 -7.527 -6.108 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.235 -6.140 -6.741 1.00 0.00 H new ATOM 0 HG2 LYS A 23 3.326 -6.659 -8.146 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.818 -6.877 -9.041 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.216 -8.639 -9.595 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.635 -9.322 -8.825 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.429 -9.541 -6.688 1.00 0.00 H new ATOM 0 HE3 LYS A 23 2.029 -8.723 -7.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 2.420 -11.398 -7.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.346 -10.572 -8.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.899 -10.980 -8.935 1.00 0.00 H new ATOM 366 N CYS A 24 7.765 -6.638 -8.347 1.00 0.00 N ATOM 367 CA CYS A 24 8.575 -6.353 -9.547 1.00 0.00 C ATOM 368 C CYS A 24 10.106 -6.312 -9.305 1.00 0.00 C ATOM 369 O CYS A 24 10.884 -6.156 -10.252 1.00 0.00 O ATOM 370 CB CYS A 24 7.991 -5.151 -10.313 1.00 0.00 C ATOM 371 SG CYS A 24 8.417 -3.528 -9.582 1.00 0.00 S ATOM 0 H CYS A 24 7.684 -5.845 -7.711 1.00 0.00 H new ATOM 0 HA CYS A 24 8.492 -7.214 -10.210 1.00 0.00 H new ATOM 0 HB2 CYS A 24 8.349 -5.180 -11.342 1.00 0.00 H new ATOM 0 HB3 CYS A 24 6.906 -5.248 -10.350 1.00 0.00 H new ATOM 376 N SER A 25 10.544 -6.536 -8.058 1.00 0.00 N ATOM 377 CA SER A 25 11.952 -6.641 -7.623 1.00 0.00 C ATOM 378 C SER A 25 12.808 -5.373 -7.821 1.00 0.00 C ATOM 379 O SER A 25 14.038 -5.427 -7.740 1.00 0.00 O ATOM 380 CB SER A 25 12.631 -7.898 -8.199 1.00 0.00 C ATOM 381 OG SER A 25 11.880 -9.075 -7.924 1.00 0.00 O ATOM 0 H SER A 25 9.894 -6.656 -7.281 1.00 0.00 H new ATOM 0 HA SER A 25 11.894 -6.746 -6.540 1.00 0.00 H new ATOM 0 HB2 SER A 25 12.750 -7.786 -9.277 1.00 0.00 H new ATOM 0 HB3 SER A 25 13.631 -7.997 -7.777 1.00 0.00 H new ATOM 0 HG SER A 25 12.339 -9.852 -8.305 1.00 0.00 H new ATOM 387 N GLU A 26 12.172 -4.219 -8.043 1.00 0.00 N ATOM 388 CA GLU A 26 12.797 -2.887 -8.002 1.00 0.00 C ATOM 389 C GLU A 26 12.795 -2.336 -6.558 1.00 0.00 C ATOM 390 O GLU A 26 12.350 -3.010 -5.626 1.00 0.00 O ATOM 391 CB GLU A 26 12.047 -1.943 -8.967 1.00 0.00 C ATOM 392 CG GLU A 26 12.087 -2.350 -10.448 1.00 0.00 C ATOM 393 CD GLU A 26 13.470 -2.115 -11.086 1.00 0.00 C ATOM 394 OE1 GLU A 26 14.373 -2.974 -10.940 1.00 0.00 O ATOM 395 OE2 GLU A 26 13.656 -1.070 -11.755 1.00 0.00 O ATOM 0 H GLU A 26 11.177 -4.181 -8.263 1.00 0.00 H new ATOM 0 HA GLU A 26 13.836 -2.959 -8.323 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.005 -1.882 -8.652 1.00 0.00 H new ATOM 0 HB3 GLU A 26 12.469 -0.942 -8.871 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.822 -3.403 -10.540 1.00 0.00 H new ATOM 0 HG3 GLU A 26 11.335 -1.783 -10.998 1.00 0.00 H new ATOM 402 N SER A 27 13.252 -1.096 -6.351 1.00 0.00 N ATOM 403 CA SER A 27 13.158 -0.397 -5.058 1.00 0.00 C ATOM 404 C SER A 27 12.330 0.886 -5.152 1.00 0.00 C ATOM 405 O SER A 27 12.237 1.507 -6.213 1.00 0.00 O ATOM 406 CB SER A 27 14.523 -0.169 -4.408 1.00 0.00 C ATOM 407 OG SER A 27 15.273 -1.370 -4.307 1.00 0.00 O ATOM 0 H SER A 27 13.702 -0.542 -7.080 1.00 0.00 H new ATOM 0 HA SER A 27 12.617 -1.065 -4.388 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.085 0.561 -4.991 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.384 0.256 -3.414 1.00 0.00 H new ATOM 0 HG SER A 27 14.990 -1.867 -3.511 1.00 0.00 H new ATOM 413 N ILE A 28 11.654 1.235 -4.057 1.00 0.00 N ATOM 414 CA ILE A 28 10.505 2.149 -4.044 1.00 0.00 C ATOM 415 C ILE A 28 10.952 3.536 -3.533 1.00 0.00 C ATOM 416 O ILE A 28 11.264 3.654 -2.345 1.00 0.00 O ATOM 417 CB ILE A 28 9.370 1.553 -3.175 1.00 0.00 C ATOM 418 CG1 ILE A 28 9.014 0.085 -3.528 1.00 0.00 C ATOM 419 CG2 ILE A 28 8.116 2.436 -3.324 1.00 0.00 C ATOM 420 CD1 ILE A 28 8.229 -0.620 -2.414 1.00 0.00 C ATOM 0 H ILE A 28 11.894 0.883 -3.130 1.00 0.00 H new ATOM 0 HA ILE A 28 10.117 2.274 -5.055 1.00 0.00 H new ATOM 0 HB ILE A 28 9.731 1.540 -2.146 1.00 0.00 H new ATOM 0 HG12 ILE A 28 8.427 0.069 -4.446 1.00 0.00 H new ATOM 0 HG13 ILE A 28 9.931 -0.469 -3.727 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.309 2.027 -2.717 1.00 0.00 H new ATOM 0 HG22 ILE A 28 8.343 3.449 -2.992 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.808 2.458 -4.369 1.00 0.00 H new ATOM 0 HD11 ILE A 28 8.008 -1.644 -2.717 1.00 0.00 H new ATOM 0 HD12 ILE A 28 8.824 -0.632 -1.501 1.00 0.00 H new ATOM 0 HD13 ILE A 28 7.296 -0.086 -2.232 1.00 0.00 H new ATOM 432 N PRO A 29 10.999 4.586 -4.375 1.00 0.00 N ATOM 433 CA PRO A 29 11.548 5.899 -4.015 1.00 0.00 C ATOM 434 C PRO A 29 10.680 6.685 -3.017 1.00 0.00 C ATOM 435 O PRO A 29 9.474 6.459 -2.898 1.00 0.00 O ATOM 436 CB PRO A 29 11.703 6.649 -5.341 1.00 0.00 C ATOM 437 CG PRO A 29 10.563 6.079 -6.179 1.00 0.00 C ATOM 438 CD PRO A 29 10.540 4.609 -5.760 1.00 0.00 C ATOM 0 HA PRO A 29 12.496 5.779 -3.491 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.611 7.727 -5.210 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.675 6.466 -5.800 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.616 6.576 -5.966 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.749 6.193 -7.247 1.00 0.00 H new ATOM 0 HD2 PRO A 29 9.536 4.193 -5.847 1.00 0.00 H new ATOM 0 HD3 PRO A 29 11.190 4.010 -6.398 1.00 0.00 H new ATOM 446 N LYS A 30 11.307 7.638 -2.310 1.00 0.00 N ATOM 447 CA LYS A 30 10.614 8.625 -1.461 1.00 0.00 C ATOM 448 C LYS A 30 9.798 9.644 -2.271 1.00 0.00 C ATOM 449 O LYS A 30 9.975 9.774 -3.483 1.00 0.00 O ATOM 450 CB LYS A 30 11.589 9.287 -0.476 1.00 0.00 C ATOM 451 CG LYS A 30 12.676 10.165 -1.120 1.00 0.00 C ATOM 452 CD LYS A 30 13.528 10.868 -0.051 1.00 0.00 C ATOM 453 CE LYS A 30 12.764 12.018 0.626 1.00 0.00 C ATOM 454 NZ LYS A 30 13.287 12.292 1.989 1.00 0.00 N ATOM 0 H LYS A 30 12.321 7.748 -2.310 1.00 0.00 H new ATOM 0 HA LYS A 30 9.879 8.080 -0.869 1.00 0.00 H new ATOM 0 HB2 LYS A 30 11.016 9.899 0.221 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.075 8.506 0.109 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.316 9.550 -1.753 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.210 10.910 -1.766 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.835 10.143 0.703 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.437 11.257 -0.509 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.845 12.918 0.017 1.00 0.00 H new ATOM 0 HE3 LYS A 30 11.705 11.767 0.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.937 13.215 2.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.964 11.549 2.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.327 12.304 1.966 1.00 0.00 H new ATOM 468 N ASP A 31 8.901 10.361 -1.591 1.00 0.00 N ATOM 469 CA ASP A 31 7.931 11.299 -2.185 1.00 0.00 C ATOM 470 C ASP A 31 7.038 10.645 -3.270 1.00 0.00 C ATOM 471 O ASP A 31 6.727 11.232 -4.309 1.00 0.00 O ATOM 472 CB ASP A 31 8.637 12.602 -2.610 1.00 0.00 C ATOM 473 CG ASP A 31 7.657 13.744 -2.943 1.00 0.00 C ATOM 474 OD1 ASP A 31 6.683 13.956 -2.181 1.00 0.00 O ATOM 475 OD2 ASP A 31 7.891 14.475 -3.937 1.00 0.00 O ATOM 0 H ASP A 31 8.823 10.307 -0.575 1.00 0.00 H new ATOM 0 HA ASP A 31 7.209 11.584 -1.419 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.302 12.925 -1.809 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.261 12.402 -3.481 1.00 0.00 H new ATOM 480 N SER A 32 6.645 9.391 -3.019 1.00 0.00 N ATOM 481 CA SER A 32 5.767 8.558 -3.855 1.00 0.00 C ATOM 482 C SER A 32 4.841 7.703 -2.975 1.00 0.00 C ATOM 483 O SER A 32 5.037 7.624 -1.760 1.00 0.00 O ATOM 484 CB SER A 32 6.621 7.679 -4.778 1.00 0.00 C ATOM 485 OG SER A 32 5.807 7.096 -5.783 1.00 0.00 O ATOM 0 H SER A 32 6.948 8.900 -2.178 1.00 0.00 H new ATOM 0 HA SER A 32 5.138 9.201 -4.471 1.00 0.00 H new ATOM 0 HB2 SER A 32 7.408 8.277 -5.238 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.112 6.898 -4.198 1.00 0.00 H new ATOM 0 HG SER A 32 6.360 6.538 -6.369 1.00 0.00 H new ATOM 491 N LEU A 33 3.820 7.074 -3.561 1.00 0.00 N ATOM 492 CA LEU A 33 2.820 6.264 -2.859 1.00 0.00 C ATOM 493 C LEU A 33 3.225 4.778 -2.867 1.00 0.00 C ATOM 494 O LEU A 33 3.533 4.215 -3.924 1.00 0.00 O ATOM 495 CB LEU A 33 1.448 6.525 -3.510 1.00 0.00 C ATOM 496 CG LEU A 33 0.256 5.860 -2.798 1.00 0.00 C ATOM 497 CD1 LEU A 33 -0.030 6.469 -1.426 1.00 0.00 C ATOM 498 CD2 LEU A 33 -1.010 6.027 -3.637 1.00 0.00 C ATOM 0 H LEU A 33 3.661 7.115 -4.568 1.00 0.00 H new ATOM 0 HA LEU A 33 2.757 6.546 -1.808 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.277 7.601 -3.545 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.479 6.174 -4.541 1.00 0.00 H new ATOM 0 HG LEU A 33 0.525 4.811 -2.671 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.880 5.960 -0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.845 6.353 -0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.259 7.529 -1.539 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -1.849 5.554 -3.127 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.219 7.088 -3.773 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -0.866 5.558 -4.610 1.00 0.00 H new ATOM 510 N ARG A 34 3.198 4.132 -1.697 1.00 0.00 N ATOM 511 CA ARG A 34 3.568 2.720 -1.499 1.00 0.00 C ATOM 512 C ARG A 34 2.599 2.020 -0.549 1.00 0.00 C ATOM 513 O ARG A 34 1.965 2.671 0.281 1.00 0.00 O ATOM 514 CB ARG A 34 5.039 2.610 -1.040 1.00 0.00 C ATOM 515 CG ARG A 34 5.346 3.246 0.328 1.00 0.00 C ATOM 516 CD ARG A 34 6.650 2.728 0.960 1.00 0.00 C ATOM 517 NE ARG A 34 7.880 3.215 0.297 1.00 0.00 N ATOM 518 CZ ARG A 34 8.957 3.696 0.898 1.00 0.00 C ATOM 519 NH1 ARG A 34 8.994 4.027 2.156 1.00 0.00 N ATOM 520 NH2 ARG A 34 10.062 3.886 0.239 1.00 0.00 N ATOM 0 H ARG A 34 2.909 4.589 -0.832 1.00 0.00 H new ATOM 0 HA ARG A 34 3.487 2.199 -2.453 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.314 1.556 -1.003 1.00 0.00 H new ATOM 0 HB3 ARG A 34 5.674 3.079 -1.792 1.00 0.00 H new ATOM 0 HG2 ARG A 34 5.411 4.328 0.212 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.517 3.048 1.008 1.00 0.00 H new ATOM 0 HD2 ARG A 34 6.675 3.023 2.009 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.645 1.638 0.936 1.00 0.00 H new ATOM 0 HE ARG A 34 7.900 3.176 -0.722 1.00 0.00 H new ATOM 0 HH11 ARG A 34 8.162 3.921 2.736 1.00 0.00 H new ATOM 0 HH12 ARG A 34 9.855 4.393 2.562 1.00 0.00 H new ATOM 0 HH21 ARG A 34 10.107 3.664 -0.755 1.00 0.00 H new ATOM 0 HH22 ARG A 34 10.883 4.257 0.717 1.00 0.00 H new ATOM 534 N MET A 35 2.495 0.699 -0.660 1.00 0.00 N ATOM 535 CA MET A 35 1.618 -0.152 0.152 1.00 0.00 C ATOM 536 C MET A 35 2.347 -1.404 0.637 1.00 0.00 C ATOM 537 O MET A 35 3.274 -1.874 -0.013 1.00 0.00 O ATOM 538 CB MET A 35 0.348 -0.540 -0.619 1.00 0.00 C ATOM 539 CG MET A 35 -0.646 0.613 -0.730 1.00 0.00 C ATOM 540 SD MET A 35 -2.238 0.223 -1.507 1.00 0.00 S ATOM 541 CE MET A 35 -2.963 -0.849 -0.236 1.00 0.00 C ATOM 0 H MET A 35 3.037 0.168 -1.342 1.00 0.00 H new ATOM 0 HA MET A 35 1.325 0.430 1.025 1.00 0.00 H new ATOM 0 HB2 MET A 35 0.623 -0.876 -1.619 1.00 0.00 H new ATOM 0 HB3 MET A 35 -0.132 -1.382 -0.121 1.00 0.00 H new ATOM 0 HG2 MET A 35 -0.838 0.998 0.272 1.00 0.00 H new ATOM 0 HG3 MET A 35 -0.176 1.418 -1.296 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.943 -1.193 -0.566 1.00 0.00 H new ATOM 0 HE2 MET A 35 -2.313 -1.708 -0.071 1.00 0.00 H new ATOM 0 HE3 MET A 35 -3.069 -0.290 0.694 1.00 0.00 H new ATOM 551 N ALA A 36 1.945 -1.934 1.787 1.00 0.00 N ATOM 552 CA ALA A 36 2.560 -3.098 2.420 1.00 0.00 C ATOM 553 C ALA A 36 1.528 -4.108 2.934 1.00 0.00 C ATOM 554 O ALA A 36 0.378 -3.755 3.204 1.00 0.00 O ATOM 555 CB ALA A 36 3.517 -2.643 3.531 1.00 0.00 C ATOM 0 H ALA A 36 1.161 -1.557 2.320 1.00 0.00 H new ATOM 0 HA ALA A 36 3.133 -3.627 1.658 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.972 -3.516 3.999 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.297 -2.012 3.104 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.962 -2.078 4.280 1.00 0.00 H new ATOM 561 N ILE A 37 1.962 -5.359 3.108 1.00 0.00 N ATOM 562 CA ILE A 37 1.170 -6.435 3.715 1.00 0.00 C ATOM 563 C ILE A 37 1.800 -6.885 5.024 1.00 0.00 C ATOM 564 O ILE A 37 3.019 -6.989 5.126 1.00 0.00 O ATOM 565 CB ILE A 37 0.957 -7.578 2.701 1.00 0.00 C ATOM 566 CG1 ILE A 37 -0.467 -7.470 2.126 1.00 0.00 C ATOM 567 CG2 ILE A 37 1.207 -8.985 3.255 1.00 0.00 C ATOM 568 CD1 ILE A 37 -0.581 -8.112 0.742 1.00 0.00 C ATOM 0 H ILE A 37 2.895 -5.660 2.825 1.00 0.00 H new ATOM 0 HA ILE A 37 0.177 -6.066 3.971 1.00 0.00 H new ATOM 0 HB ILE A 37 1.709 -7.449 1.923 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.169 -7.951 2.807 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.753 -6.420 2.062 1.00 0.00 H new ATOM 0 HG21 ILE A 37 1.032 -9.721 2.470 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.238 -9.062 3.602 1.00 0.00 H new ATOM 0 HG23 ILE A 37 0.529 -9.174 4.087 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.603 -8.011 0.377 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.101 -7.614 0.053 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -0.322 -9.169 0.809 1.00 0.00 H new ATOM 580 N MET A 38 0.965 -7.162 6.019 1.00 0.00 N ATOM 581 CA MET A 38 1.381 -7.461 7.381 1.00 0.00 C ATOM 582 C MET A 38 1.382 -8.972 7.619 1.00 0.00 C ATOM 583 O MET A 38 0.330 -9.582 7.817 1.00 0.00 O ATOM 584 CB MET A 38 0.460 -6.714 8.364 1.00 0.00 C ATOM 585 CG MET A 38 0.234 -5.214 8.093 1.00 0.00 C ATOM 586 SD MET A 38 1.373 -4.025 8.850 1.00 0.00 S ATOM 587 CE MET A 38 2.941 -4.768 8.369 1.00 0.00 C ATOM 0 H MET A 38 -0.047 -7.185 5.895 1.00 0.00 H new ATOM 0 HA MET A 38 2.402 -7.117 7.545 1.00 0.00 H new ATOM 0 HB2 MET A 38 -0.511 -7.210 8.365 1.00 0.00 H new ATOM 0 HB3 MET A 38 0.874 -6.821 9.367 1.00 0.00 H new ATOM 0 HG2 MET A 38 0.264 -5.063 7.014 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.775 -4.965 8.422 1.00 0.00 H new ATOM 0 HE1 MET A 38 3.743 -4.040 8.496 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.139 -5.638 8.995 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.892 -5.076 7.325 1.00 0.00 H new ATOM 597 N VAL A 39 2.573 -9.573 7.617 1.00 0.00 N ATOM 598 CA VAL A 39 2.772 -11.014 7.857 1.00 0.00 C ATOM 599 C VAL A 39 3.459 -11.267 9.198 1.00 0.00 C ATOM 600 O VAL A 39 4.368 -10.540 9.596 1.00 0.00 O ATOM 601 CB VAL A 39 3.483 -11.693 6.668 1.00 0.00 C ATOM 602 CG1 VAL A 39 4.848 -11.081 6.347 1.00 0.00 C ATOM 603 CG2 VAL A 39 3.648 -13.205 6.861 1.00 0.00 C ATOM 0 H VAL A 39 3.444 -9.070 7.447 1.00 0.00 H new ATOM 0 HA VAL A 39 1.791 -11.484 7.927 1.00 0.00 H new ATOM 0 HB VAL A 39 2.819 -11.513 5.822 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.292 -11.606 5.501 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.724 -10.027 6.096 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.501 -11.173 7.215 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.154 -13.629 5.994 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.240 -13.395 7.756 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.667 -13.667 6.970 1.00 0.00 H new ATOM 613 N GLN A 40 3.015 -12.301 9.911 1.00 0.00 N ATOM 614 CA GLN A 40 3.639 -12.786 11.146 1.00 0.00 C ATOM 615 C GLN A 40 5.008 -13.419 10.850 1.00 0.00 C ATOM 616 O GLN A 40 5.104 -14.390 10.095 1.00 0.00 O ATOM 617 CB GLN A 40 2.672 -13.741 11.873 1.00 0.00 C ATOM 618 CG GLN A 40 2.088 -14.883 11.010 1.00 0.00 C ATOM 619 CD GLN A 40 2.539 -16.268 11.474 1.00 0.00 C ATOM 620 OE1 GLN A 40 1.816 -17.004 12.135 1.00 0.00 O ATOM 621 NE2 GLN A 40 3.749 -16.676 11.154 1.00 0.00 N ATOM 0 H GLN A 40 2.192 -12.839 9.641 1.00 0.00 H new ATOM 0 HA GLN A 40 3.833 -11.950 11.818 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.195 -14.182 12.722 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.846 -13.155 12.276 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.000 -14.833 11.038 1.00 0.00 H new ATOM 0 HG3 GLN A 40 2.388 -14.737 9.972 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.362 -16.074 10.604 1.00 0.00 H new ATOM 0 HE22 GLN A 40 4.074 -17.595 11.456 1.00 0.00 H new ATOM 630 N SER A 41 6.078 -12.860 11.416 1.00 0.00 N ATOM 631 CA SER A 41 7.450 -13.218 11.055 1.00 0.00 C ATOM 632 C SER A 41 7.943 -14.506 11.714 1.00 0.00 C ATOM 633 O SER A 41 7.662 -14.747 12.894 1.00 0.00 O ATOM 634 CB SER A 41 8.409 -12.088 11.411 1.00 0.00 C ATOM 635 OG SER A 41 9.679 -12.342 10.850 1.00 0.00 O ATOM 0 H SER A 41 6.017 -12.144 12.140 1.00 0.00 H new ATOM 0 HA SER A 41 7.433 -13.387 9.978 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.021 -11.139 11.040 1.00 0.00 H new ATOM 0 HB3 SER A 41 8.492 -11.997 12.494 1.00 0.00 H new ATOM 0 HG SER A 41 9.987 -11.548 10.364 1.00 0.00 H new ATOM 641 N PRO A 42 8.754 -15.303 10.995 1.00 0.00 N ATOM 642 CA PRO A 42 9.533 -16.376 11.587 1.00 0.00 C ATOM 643 C PRO A 42 10.820 -15.886 12.285 1.00 0.00 C ATOM 644 O PRO A 42 11.448 -16.676 12.994 1.00 0.00 O ATOM 645 CB PRO A 42 9.816 -17.336 10.426 1.00 0.00 C ATOM 646 CG PRO A 42 9.918 -16.400 9.221 1.00 0.00 C ATOM 647 CD PRO A 42 8.914 -15.294 9.547 1.00 0.00 C ATOM 0 HA PRO A 42 8.987 -16.863 12.395 1.00 0.00 H new ATOM 0 HB2 PRO A 42 10.738 -17.896 10.581 1.00 0.00 H new ATOM 0 HB3 PRO A 42 9.017 -18.067 10.303 1.00 0.00 H new ATOM 0 HG2 PRO A 42 10.927 -16.005 9.103 1.00 0.00 H new ATOM 0 HG3 PRO A 42 9.665 -16.911 8.292 1.00 0.00 H new ATOM 0 HD2 PRO A 42 9.276 -14.326 9.202 1.00 0.00 H new ATOM 0 HD3 PRO A 42 7.961 -15.474 9.049 1.00 0.00 H new ATOM 655 N MET A 43 11.224 -14.613 12.109 1.00 0.00 N ATOM 656 CA MET A 43 12.453 -14.040 12.697 1.00 0.00 C ATOM 657 C MET A 43 12.232 -12.878 13.681 1.00 0.00 C ATOM 658 O MET A 43 13.079 -12.635 14.545 1.00 0.00 O ATOM 659 CB MET A 43 13.440 -13.656 11.592 1.00 0.00 C ATOM 660 CG MET A 43 13.127 -12.353 10.845 1.00 0.00 C ATOM 661 SD MET A 43 13.656 -12.333 9.112 1.00 0.00 S ATOM 662 CE MET A 43 12.512 -13.587 8.469 1.00 0.00 C ATOM 0 H MET A 43 10.699 -13.943 11.547 1.00 0.00 H new ATOM 0 HA MET A 43 12.877 -14.833 13.313 1.00 0.00 H new ATOM 0 HB2 MET A 43 14.434 -13.572 12.031 1.00 0.00 H new ATOM 0 HB3 MET A 43 13.480 -14.469 10.867 1.00 0.00 H new ATOM 0 HG2 MET A 43 12.052 -12.175 10.885 1.00 0.00 H new ATOM 0 HG3 MET A 43 13.607 -11.525 11.368 1.00 0.00 H new ATOM 0 HE1 MET A 43 12.325 -13.401 7.411 1.00 0.00 H new ATOM 0 HE2 MET A 43 12.951 -14.577 8.591 1.00 0.00 H new ATOM 0 HE3 MET A 43 11.571 -13.537 9.018 1.00 0.00 H new ATOM 672 N PHE A 44 11.105 -12.171 13.568 1.00 0.00 N ATOM 673 CA PHE A 44 10.700 -11.057 14.432 1.00 0.00 C ATOM 674 C PHE A 44 9.521 -11.460 15.335 1.00 0.00 C ATOM 675 O PHE A 44 8.688 -12.290 14.971 1.00 0.00 O ATOM 676 CB PHE A 44 10.404 -9.829 13.556 1.00 0.00 C ATOM 677 CG PHE A 44 9.923 -8.601 14.304 1.00 0.00 C ATOM 678 CD1 PHE A 44 10.842 -7.777 14.982 1.00 0.00 C ATOM 679 CD2 PHE A 44 8.553 -8.275 14.319 1.00 0.00 C ATOM 680 CE1 PHE A 44 10.392 -6.635 15.667 1.00 0.00 C ATOM 681 CE2 PHE A 44 8.103 -7.131 15.003 1.00 0.00 C ATOM 682 CZ PHE A 44 9.023 -6.311 15.678 1.00 0.00 C ATOM 0 H PHE A 44 10.419 -12.367 12.840 1.00 0.00 H new ATOM 0 HA PHE A 44 11.511 -10.793 15.111 1.00 0.00 H new ATOM 0 HB2 PHE A 44 11.309 -9.568 13.007 1.00 0.00 H new ATOM 0 HB3 PHE A 44 9.650 -10.103 12.818 1.00 0.00 H new ATOM 0 HD1 PHE A 44 11.894 -8.023 14.976 1.00 0.00 H new ATOM 0 HD2 PHE A 44 7.845 -8.906 13.803 1.00 0.00 H new ATOM 0 HE1 PHE A 44 11.099 -6.005 16.186 1.00 0.00 H new ATOM 0 HE2 PHE A 44 7.052 -6.883 15.009 1.00 0.00 H new ATOM 0 HZ PHE A 44 8.680 -5.433 16.205 1.00 0.00 H new ATOM 692 N ASP A 45 9.435 -10.864 16.522 1.00 0.00 N ATOM 693 CA ASP A 45 8.459 -11.187 17.574 1.00 0.00 C ATOM 694 C ASP A 45 7.100 -10.475 17.379 1.00 0.00 C ATOM 695 O ASP A 45 6.535 -9.893 18.309 1.00 0.00 O ATOM 696 CB ASP A 45 9.097 -10.996 18.963 1.00 0.00 C ATOM 697 CG ASP A 45 9.503 -9.543 19.283 1.00 0.00 C ATOM 698 OD1 ASP A 45 10.375 -8.988 18.571 1.00 0.00 O ATOM 699 OD2 ASP A 45 9.010 -8.975 20.288 1.00 0.00 O ATOM 0 H ASP A 45 10.067 -10.111 16.794 1.00 0.00 H new ATOM 0 HA ASP A 45 8.198 -12.242 17.495 1.00 0.00 H new ATOM 0 HB2 ASP A 45 8.395 -11.340 19.722 1.00 0.00 H new ATOM 0 HB3 ASP A 45 9.980 -11.631 19.034 1.00 0.00 H new ATOM 704 N GLY A 46 6.576 -10.503 16.149 1.00 0.00 N ATOM 705 CA GLY A 46 5.353 -9.812 15.747 1.00 0.00 C ATOM 706 C GLY A 46 5.143 -9.813 14.230 1.00 0.00 C ATOM 707 O GLY A 46 5.571 -10.727 13.515 1.00 0.00 O ATOM 0 H GLY A 46 7.007 -11.024 15.385 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.498 -10.287 16.228 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.388 -8.783 16.104 1.00 0.00 H new ATOM 711 N LYS A 47 4.474 -8.767 13.742 1.00 0.00 N ATOM 712 CA LYS A 47 4.047 -8.591 12.346 1.00 0.00 C ATOM 713 C LYS A 47 4.991 -7.632 11.612 1.00 0.00 C ATOM 714 O LYS A 47 5.386 -6.608 12.175 1.00 0.00 O ATOM 715 CB LYS A 47 2.595 -8.079 12.341 1.00 0.00 C ATOM 716 CG LYS A 47 1.586 -9.046 13.001 1.00 0.00 C ATOM 717 CD LYS A 47 0.960 -10.058 12.029 1.00 0.00 C ATOM 718 CE LYS A 47 -0.053 -9.423 11.065 1.00 0.00 C ATOM 719 NZ LYS A 47 -1.394 -9.231 11.680 1.00 0.00 N ATOM 0 H LYS A 47 4.201 -7.982 14.333 1.00 0.00 H new ATOM 0 HA LYS A 47 4.089 -9.542 11.816 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.557 -7.121 12.859 1.00 0.00 H new ATOM 0 HB3 LYS A 47 2.288 -7.897 11.311 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.090 -9.590 13.800 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.790 -8.463 13.464 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.752 -10.535 11.451 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.465 -10.843 12.601 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.328 -8.459 10.728 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.151 -10.054 10.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -1.912 -8.494 11.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.926 -10.123 11.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.282 -8.942 12.673 1.00 0.00 H new ATOM 733 N VAL A 48 5.342 -7.949 10.364 1.00 0.00 N ATOM 734 CA VAL A 48 6.308 -7.193 9.539 1.00 0.00 C ATOM 735 C VAL A 48 5.752 -6.861 8.143 1.00 0.00 C ATOM 736 O VAL A 48 4.948 -7.637 7.618 1.00 0.00 O ATOM 737 CB VAL A 48 7.665 -7.922 9.425 1.00 0.00 C ATOM 738 CG1 VAL A 48 8.328 -8.094 10.799 1.00 0.00 C ATOM 739 CG2 VAL A 48 7.577 -9.299 8.755 1.00 0.00 C ATOM 0 H VAL A 48 4.956 -8.759 9.879 1.00 0.00 H new ATOM 0 HA VAL A 48 6.475 -6.250 10.059 1.00 0.00 H new ATOM 0 HB VAL A 48 8.269 -7.277 8.787 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.281 -8.611 10.681 1.00 0.00 H new ATOM 0 HG12 VAL A 48 8.499 -7.115 11.246 1.00 0.00 H new ATOM 0 HG13 VAL A 48 7.676 -8.679 11.447 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.570 -9.747 8.712 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.913 -9.943 9.332 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.185 -9.187 7.744 1.00 0.00 H new ATOM 749 N PRO A 49 6.142 -5.722 7.529 1.00 0.00 N ATOM 750 CA PRO A 49 5.613 -5.282 6.239 1.00 0.00 C ATOM 751 C PRO A 49 6.326 -5.902 5.029 1.00 0.00 C ATOM 752 O PRO A 49 7.556 -5.894 4.934 1.00 0.00 O ATOM 753 CB PRO A 49 5.760 -3.757 6.237 1.00 0.00 C ATOM 754 CG PRO A 49 7.007 -3.529 7.091 1.00 0.00 C ATOM 755 CD PRO A 49 6.941 -4.654 8.124 1.00 0.00 C ATOM 0 HA PRO A 49 4.578 -5.608 6.135 1.00 0.00 H new ATOM 0 HB2 PRO A 49 5.885 -3.365 5.228 1.00 0.00 H new ATOM 0 HB3 PRO A 49 4.884 -3.267 6.663 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.918 -3.584 6.495 1.00 0.00 H new ATOM 0 HG3 PRO A 49 6.995 -2.547 7.565 1.00 0.00 H new ATOM 0 HD2 PRO A 49 7.941 -5.011 8.372 1.00 0.00 H new ATOM 0 HD3 PRO A 49 6.488 -4.302 9.051 1.00 0.00 H new ATOM 763 N HIS A 50 5.546 -6.362 4.046 1.00 0.00 N ATOM 764 CA HIS A 50 5.995 -6.654 2.681 1.00 0.00 C ATOM 765 C HIS A 50 5.621 -5.475 1.800 1.00 0.00 C ATOM 766 O HIS A 50 4.468 -5.385 1.397 1.00 0.00 O ATOM 767 CB HIS A 50 5.365 -7.972 2.190 1.00 0.00 C ATOM 768 CG HIS A 50 6.064 -9.206 2.706 1.00 0.00 C ATOM 769 ND1 HIS A 50 6.203 -10.415 2.018 1.00 0.00 N ATOM 770 CD2 HIS A 50 6.668 -9.322 3.922 1.00 0.00 C ATOM 771 CE1 HIS A 50 6.882 -11.231 2.844 1.00 0.00 C ATOM 772 NE2 HIS A 50 7.197 -10.591 3.983 1.00 0.00 N ATOM 0 H HIS A 50 4.552 -6.547 4.183 1.00 0.00 H new ATOM 0 HA HIS A 50 7.076 -6.789 2.645 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.320 -8.002 2.497 1.00 0.00 H new ATOM 0 HB3 HIS A 50 5.377 -7.987 1.100 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.721 -8.564 4.690 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.138 -12.257 2.623 1.00 0.00 H new ATOM 0 HE2 HIS A 50 7.735 -10.979 4.758 1.00 0.00 H new ATOM 780 N TRP A 51 6.553 -4.552 1.555 1.00 0.00 N ATOM 781 CA TRP A 51 6.305 -3.333 0.780 1.00 0.00 C ATOM 782 C TRP A 51 6.296 -3.606 -0.730 1.00 0.00 C ATOM 783 O TRP A 51 7.132 -4.333 -1.258 1.00 0.00 O ATOM 784 CB TRP A 51 7.365 -2.272 1.098 1.00 0.00 C ATOM 785 CG TRP A 51 7.270 -1.632 2.449 1.00 0.00 C ATOM 786 CD1 TRP A 51 8.101 -1.853 3.493 1.00 0.00 C ATOM 787 CD2 TRP A 51 6.308 -0.632 2.908 1.00 0.00 C ATOM 788 NE1 TRP A 51 7.727 -1.056 4.559 1.00 0.00 N ATOM 789 CE2 TRP A 51 6.627 -0.284 4.255 1.00 0.00 C ATOM 790 CE3 TRP A 51 5.194 0.010 2.324 1.00 0.00 C ATOM 791 CZ2 TRP A 51 5.892 0.664 4.980 1.00 0.00 C ATOM 792 CZ3 TRP A 51 4.438 0.955 3.047 1.00 0.00 C ATOM 793 CH2 TRP A 51 4.795 1.292 4.366 1.00 0.00 C ATOM 0 H TRP A 51 7.512 -4.630 1.893 1.00 0.00 H new ATOM 0 HA TRP A 51 5.319 -2.967 1.066 1.00 0.00 H new ATOM 0 HB2 TRP A 51 8.349 -2.731 1.004 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.305 -1.489 0.342 1.00 0.00 H new ATOM 0 HD1 TRP A 51 8.930 -2.546 3.494 1.00 0.00 H new ATOM 0 HE1 TRP A 51 8.206 -1.041 5.459 1.00 0.00 H new ATOM 0 HE3 TRP A 51 4.917 -0.227 1.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 6.165 0.908 5.996 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.580 1.423 2.586 1.00 0.00 H new ATOM 0 HH2 TRP A 51 4.226 2.034 4.907 1.00 0.00 H new ATOM 804 N TYR A 52 5.395 -2.948 -1.442 1.00 0.00 N ATOM 805 CA TYR A 52 5.333 -2.914 -2.895 1.00 0.00 C ATOM 806 C TYR A 52 4.988 -1.483 -3.356 1.00 0.00 C ATOM 807 O TYR A 52 4.495 -0.661 -2.571 1.00 0.00 O ATOM 808 CB TYR A 52 4.332 -3.954 -3.447 1.00 0.00 C ATOM 809 CG TYR A 52 4.025 -5.242 -2.683 1.00 0.00 C ATOM 810 CD1 TYR A 52 3.261 -5.237 -1.496 1.00 0.00 C ATOM 811 CD2 TYR A 52 4.392 -6.477 -3.253 1.00 0.00 C ATOM 812 CE1 TYR A 52 2.892 -6.452 -0.874 1.00 0.00 C ATOM 813 CE2 TYR A 52 4.012 -7.690 -2.648 1.00 0.00 C ATOM 814 CZ TYR A 52 3.278 -7.682 -1.447 1.00 0.00 C ATOM 815 OH TYR A 52 2.939 -8.862 -0.858 1.00 0.00 O ATOM 0 H TYR A 52 4.655 -2.399 -1.004 1.00 0.00 H new ATOM 0 HA TYR A 52 6.308 -3.186 -3.298 1.00 0.00 H new ATOM 0 HB2 TYR A 52 3.384 -3.437 -3.592 1.00 0.00 H new ATOM 0 HB3 TYR A 52 4.690 -4.247 -4.434 1.00 0.00 H new ATOM 0 HD1 TYR A 52 2.956 -4.297 -1.059 1.00 0.00 H new ATOM 0 HD2 TYR A 52 4.971 -6.493 -4.164 1.00 0.00 H new ATOM 0 HE1 TYR A 52 2.315 -6.438 0.039 1.00 0.00 H new ATOM 0 HE2 TYR A 52 4.284 -8.629 -3.107 1.00 0.00 H new ATOM 0 HH TYR A 52 3.288 -9.606 -1.392 1.00 0.00 H new ATOM 825 N HIS A 53 5.214 -1.167 -4.636 1.00 0.00 N ATOM 826 CA HIS A 53 4.628 0.040 -5.254 1.00 0.00 C ATOM 827 C HIS A 53 3.095 0.039 -5.097 1.00 0.00 C ATOM 828 O HIS A 53 2.488 -1.029 -4.975 1.00 0.00 O ATOM 829 CB HIS A 53 4.968 0.134 -6.753 1.00 0.00 C ATOM 830 CG HIS A 53 6.430 0.275 -7.102 1.00 0.00 C ATOM 831 ND1 HIS A 53 7.262 -0.689 -7.681 1.00 0.00 N ATOM 832 CD2 HIS A 53 7.125 1.446 -7.014 1.00 0.00 C ATOM 833 CE1 HIS A 53 8.431 -0.077 -7.922 1.00 0.00 C ATOM 834 NE2 HIS A 53 8.379 1.205 -7.528 1.00 0.00 N ATOM 0 H HIS A 53 5.794 -1.722 -5.265 1.00 0.00 H new ATOM 0 HA HIS A 53 5.057 0.900 -4.739 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.583 -0.758 -7.247 1.00 0.00 H new ATOM 0 HB3 HIS A 53 4.433 0.986 -7.172 1.00 0.00 H new ATOM 0 HD2 HIS A 53 6.761 2.382 -6.617 1.00 0.00 H new ATOM 0 HE1 HIS A 53 9.293 -0.549 -8.370 1.00 0.00 H new ATOM 0 HE2 HIS A 53 9.138 1.883 -7.597 1.00 0.00 H new ATOM 842 N PHE A 54 2.451 1.212 -5.156 1.00 0.00 N ATOM 843 CA PHE A 54 0.988 1.304 -5.043 1.00 0.00 C ATOM 844 C PHE A 54 0.254 0.371 -6.029 1.00 0.00 C ATOM 845 O PHE A 54 -0.675 -0.322 -5.630 1.00 0.00 O ATOM 846 CB PHE A 54 0.514 2.749 -5.253 1.00 0.00 C ATOM 847 CG PHE A 54 -1.001 2.845 -5.375 1.00 0.00 C ATOM 848 CD1 PHE A 54 -1.818 2.561 -4.263 1.00 0.00 C ATOM 849 CD2 PHE A 54 -1.597 3.094 -6.627 1.00 0.00 C ATOM 850 CE1 PHE A 54 -3.214 2.491 -4.409 1.00 0.00 C ATOM 851 CE2 PHE A 54 -2.996 3.039 -6.766 1.00 0.00 C ATOM 852 CZ PHE A 54 -3.802 2.726 -5.661 1.00 0.00 C ATOM 0 H PHE A 54 2.919 2.110 -5.281 1.00 0.00 H new ATOM 0 HA PHE A 54 0.738 0.979 -4.033 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.849 3.365 -4.418 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.976 3.154 -6.153 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.370 2.396 -3.294 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.979 3.327 -7.481 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.835 2.256 -3.557 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -3.450 3.238 -7.725 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.874 2.666 -5.774 1.00 0.00 H new ATOM 862 N SER A 55 0.681 0.308 -7.297 1.00 0.00 N ATOM 863 CA SER A 55 0.042 -0.533 -8.319 1.00 0.00 C ATOM 864 C SER A 55 0.395 -2.011 -8.134 1.00 0.00 C ATOM 865 O SER A 55 -0.470 -2.878 -8.268 1.00 0.00 O ATOM 866 CB SER A 55 0.422 -0.035 -9.718 1.00 0.00 C ATOM 867 OG SER A 55 1.827 -0.091 -9.917 1.00 0.00 O ATOM 0 H SER A 55 1.480 0.839 -7.644 1.00 0.00 H new ATOM 0 HA SER A 55 -1.039 -0.452 -8.205 1.00 0.00 H new ATOM 0 HB2 SER A 55 -0.080 -0.642 -10.472 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.074 0.989 -9.850 1.00 0.00 H new ATOM 0 HG SER A 55 2.043 0.230 -10.817 1.00 0.00 H new ATOM 873 N CYS A 56 1.649 -2.298 -7.777 1.00 0.00 N ATOM 874 CA CYS A 56 2.172 -3.636 -7.533 1.00 0.00 C ATOM 875 C CYS A 56 1.429 -4.394 -6.418 1.00 0.00 C ATOM 876 O CYS A 56 1.226 -5.602 -6.523 1.00 0.00 O ATOM 877 CB CYS A 56 3.657 -3.515 -7.208 1.00 0.00 C ATOM 878 SG CYS A 56 4.637 -3.038 -8.678 1.00 0.00 S ATOM 0 H CYS A 56 2.353 -1.572 -7.646 1.00 0.00 H new ATOM 0 HA CYS A 56 2.017 -4.228 -8.435 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.798 -2.774 -6.421 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.023 -4.466 -6.820 1.00 0.00 H new ATOM 883 N PHE A 57 0.979 -3.690 -5.379 1.00 0.00 N ATOM 884 CA PHE A 57 0.125 -4.221 -4.315 1.00 0.00 C ATOM 885 C PHE A 57 -1.133 -4.903 -4.878 1.00 0.00 C ATOM 886 O PHE A 57 -1.471 -6.023 -4.496 1.00 0.00 O ATOM 887 CB PHE A 57 -0.251 -3.069 -3.385 1.00 0.00 C ATOM 888 CG PHE A 57 -1.060 -3.536 -2.198 1.00 0.00 C ATOM 889 CD1 PHE A 57 -2.452 -3.699 -2.316 1.00 0.00 C ATOM 890 CD2 PHE A 57 -0.414 -3.866 -0.995 1.00 0.00 C ATOM 891 CE1 PHE A 57 -3.194 -4.218 -1.246 1.00 0.00 C ATOM 892 CE2 PHE A 57 -1.164 -4.338 0.093 1.00 0.00 C ATOM 893 CZ PHE A 57 -2.548 -4.536 -0.038 1.00 0.00 C ATOM 0 H PHE A 57 1.206 -2.704 -5.250 1.00 0.00 H new ATOM 0 HA PHE A 57 0.672 -4.987 -3.765 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.656 -2.577 -3.034 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.822 -2.326 -3.942 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -2.951 -3.424 -3.234 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.657 -3.757 -0.908 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -4.258 -4.373 -1.349 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.676 -4.549 1.033 1.00 0.00 H new ATOM 0 HZ PHE A 57 -3.117 -4.933 0.790 1.00 0.00 H new ATOM 903 N TRP A 58 -1.801 -4.267 -5.843 1.00 0.00 N ATOM 904 CA TRP A 58 -2.989 -4.823 -6.496 1.00 0.00 C ATOM 905 C TRP A 58 -2.639 -5.884 -7.555 1.00 0.00 C ATOM 906 O TRP A 58 -3.446 -6.780 -7.805 1.00 0.00 O ATOM 907 CB TRP A 58 -3.851 -3.684 -7.046 1.00 0.00 C ATOM 908 CG TRP A 58 -4.065 -2.553 -6.084 1.00 0.00 C ATOM 909 CD1 TRP A 58 -3.436 -1.360 -6.140 1.00 0.00 C ATOM 910 CD2 TRP A 58 -4.899 -2.498 -4.883 1.00 0.00 C ATOM 911 NE1 TRP A 58 -3.793 -0.586 -5.055 1.00 0.00 N ATOM 912 CE2 TRP A 58 -4.713 -1.226 -4.256 1.00 0.00 C ATOM 913 CE3 TRP A 58 -5.787 -3.395 -4.254 1.00 0.00 C ATOM 914 CZ2 TRP A 58 -5.394 -0.856 -3.086 1.00 0.00 C ATOM 915 CZ3 TRP A 58 -6.456 -3.045 -3.065 1.00 0.00 C ATOM 916 CH2 TRP A 58 -6.268 -1.776 -2.489 1.00 0.00 C ATOM 0 H TRP A 58 -1.532 -3.348 -6.195 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.577 -5.360 -5.752 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.383 -3.293 -7.950 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -4.821 -4.086 -7.338 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -2.753 -1.056 -6.920 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.421 0.345 -4.868 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -5.957 -4.368 -4.692 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -5.247 0.122 -2.652 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -7.118 -3.756 -2.593 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -6.797 -1.510 -1.586 1.00 0.00 H new ATOM 927 N LYS A 59 -1.407 -5.879 -8.095 1.00 0.00 N ATOM 928 CA LYS A 59 -0.843 -6.994 -8.892 1.00 0.00 C ATOM 929 C LYS A 59 -0.614 -8.265 -8.058 1.00 0.00 C ATOM 930 O LYS A 59 -0.490 -9.347 -8.632 1.00 0.00 O ATOM 931 CB LYS A 59 0.452 -6.588 -9.619 1.00 0.00 C ATOM 932 CG LYS A 59 0.248 -5.456 -10.635 1.00 0.00 C ATOM 933 CD LYS A 59 1.593 -4.872 -11.108 1.00 0.00 C ATOM 934 CE LYS A 59 1.463 -3.348 -11.195 1.00 0.00 C ATOM 935 NZ LYS A 59 2.771 -2.659 -11.056 1.00 0.00 N ATOM 0 H LYS A 59 -0.764 -5.094 -7.992 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.597 -7.228 -9.644 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.192 -6.276 -8.882 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.861 -7.458 -10.132 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.308 -5.832 -11.493 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.355 -4.667 -10.186 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.388 -5.144 -10.414 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.863 -5.284 -12.080 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.013 -3.079 -12.151 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.787 -2.999 -10.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.614 -1.668 -10.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.337 -3.134 -10.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.279 -2.692 -11.963 1.00 0.00 H new ATOM 949 N VAL A 60 -0.582 -8.177 -6.718 1.00 0.00 N ATOM 950 CA VAL A 60 -0.661 -9.366 -5.829 1.00 0.00 C ATOM 951 C VAL A 60 -2.058 -10.030 -5.871 1.00 0.00 C ATOM 952 O VAL A 60 -2.197 -11.203 -5.525 1.00 0.00 O ATOM 953 CB VAL A 60 -0.249 -9.046 -4.369 1.00 0.00 C ATOM 954 CG1 VAL A 60 0.025 -10.308 -3.535 1.00 0.00 C ATOM 955 CG2 VAL A 60 1.041 -8.224 -4.282 1.00 0.00 C ATOM 0 H VAL A 60 -0.502 -7.292 -6.217 1.00 0.00 H new ATOM 0 HA VAL A 60 0.062 -10.081 -6.221 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.103 -8.490 -3.981 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.309 -10.021 -2.523 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.874 -10.923 -3.499 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.835 -10.877 -3.991 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.279 -8.031 -3.236 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.858 -8.779 -4.744 1.00 0.00 H new ATOM 0 HG23 VAL A 60 0.905 -7.277 -4.804 1.00 0.00 H new ATOM 965 N GLY A 61 -3.094 -9.323 -6.342 1.00 0.00 N ATOM 966 CA GLY A 61 -4.452 -9.852 -6.547 1.00 0.00 C ATOM 967 C GLY A 61 -5.414 -9.687 -5.360 1.00 0.00 C ATOM 968 O GLY A 61 -6.479 -10.308 -5.346 1.00 0.00 O ATOM 0 H GLY A 61 -3.010 -8.339 -6.599 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.888 -9.359 -7.416 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.377 -10.913 -6.787 1.00 0.00 H new ATOM 972 N HIS A 62 -5.061 -8.868 -4.363 1.00 0.00 N ATOM 973 CA HIS A 62 -5.926 -8.539 -3.218 1.00 0.00 C ATOM 974 C HIS A 62 -7.033 -7.536 -3.591 1.00 0.00 C ATOM 975 O HIS A 62 -6.856 -6.690 -4.469 1.00 0.00 O ATOM 976 CB HIS A 62 -5.085 -8.004 -2.042 1.00 0.00 C ATOM 977 CG HIS A 62 -4.289 -9.064 -1.316 1.00 0.00 C ATOM 978 ND1 HIS A 62 -4.537 -9.517 -0.016 1.00 0.00 N ATOM 979 CD2 HIS A 62 -3.203 -9.725 -1.809 1.00 0.00 C ATOM 980 CE1 HIS A 62 -3.585 -10.432 0.245 1.00 0.00 C ATOM 981 NE2 HIS A 62 -2.776 -10.581 -0.817 1.00 0.00 N ATOM 0 H HIS A 62 -4.152 -8.406 -4.326 1.00 0.00 H new ATOM 0 HA HIS A 62 -6.419 -9.462 -2.912 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -4.399 -7.244 -2.417 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -5.748 -7.512 -1.330 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -2.763 -9.602 -2.787 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -3.486 -10.970 1.176 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -1.982 -11.218 -0.879 1.00 0.00 H new ATOM 989 N SER A 63 -8.158 -7.599 -2.877 1.00 0.00 N ATOM 990 CA SER A 63 -9.199 -6.560 -2.829 1.00 0.00 C ATOM 991 C SER A 63 -9.589 -6.292 -1.371 1.00 0.00 C ATOM 992 O SER A 63 -9.623 -7.210 -0.544 1.00 0.00 O ATOM 993 CB SER A 63 -10.412 -6.933 -3.693 1.00 0.00 C ATOM 994 OG SER A 63 -10.988 -8.168 -3.292 1.00 0.00 O ATOM 0 H SER A 63 -8.382 -8.404 -2.292 1.00 0.00 H new ATOM 0 HA SER A 63 -8.798 -5.639 -3.252 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.161 -6.144 -3.627 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.108 -6.996 -4.738 1.00 0.00 H new ATOM 0 HG SER A 63 -11.758 -8.371 -3.864 1.00 0.00 H new ATOM 1000 N ILE A 64 -9.818 -5.024 -1.018 1.00 0.00 N ATOM 1001 CA ILE A 64 -9.882 -4.562 0.379 1.00 0.00 C ATOM 1002 C ILE A 64 -11.284 -4.011 0.671 1.00 0.00 C ATOM 1003 O ILE A 64 -11.778 -3.111 -0.006 1.00 0.00 O ATOM 1004 CB ILE A 64 -8.703 -3.605 0.687 1.00 0.00 C ATOM 1005 CG1 ILE A 64 -7.367 -4.377 0.576 1.00 0.00 C ATOM 1006 CG2 ILE A 64 -8.819 -2.955 2.077 1.00 0.00 C ATOM 1007 CD1 ILE A 64 -6.121 -3.546 0.896 1.00 0.00 C ATOM 0 H ILE A 64 -9.966 -4.279 -1.698 1.00 0.00 H new ATOM 0 HA ILE A 64 -9.746 -5.389 1.076 1.00 0.00 H new ATOM 0 HB ILE A 64 -8.735 -2.800 -0.047 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.400 -5.233 1.251 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.274 -4.772 -0.436 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.968 -2.294 2.242 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -9.742 -2.378 2.133 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.829 -3.731 2.842 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -5.232 -4.168 0.792 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -6.057 -2.705 0.206 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.185 -3.172 1.918 1.00 0.00 H new ATOM 1019 N ARG A 65 -11.938 -4.603 1.677 1.00 0.00 N ATOM 1020 CA ARG A 65 -13.389 -4.485 1.939 1.00 0.00 C ATOM 1021 C ARG A 65 -13.768 -3.393 2.950 1.00 0.00 C ATOM 1022 O ARG A 65 -14.904 -2.921 2.947 1.00 0.00 O ATOM 1023 CB ARG A 65 -13.988 -5.865 2.305 1.00 0.00 C ATOM 1024 CG ARG A 65 -13.151 -6.754 3.248 1.00 0.00 C ATOM 1025 CD ARG A 65 -12.196 -7.697 2.488 1.00 0.00 C ATOM 1026 NE ARG A 65 -11.210 -8.309 3.402 1.00 0.00 N ATOM 1027 CZ ARG A 65 -9.918 -8.499 3.190 1.00 0.00 C ATOM 1028 NH1 ARG A 65 -9.315 -8.209 2.075 1.00 0.00 N ATOM 1029 NH2 ARG A 65 -9.159 -8.987 4.125 1.00 0.00 N ATOM 0 H ARG A 65 -11.463 -5.197 2.356 1.00 0.00 H new ATOM 0 HA ARG A 65 -13.840 -4.147 1.006 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -14.962 -5.702 2.766 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -14.161 -6.417 1.381 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.571 -6.120 3.918 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -13.821 -7.347 3.871 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -12.771 -8.479 1.993 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.676 -7.141 1.708 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.568 -8.622 4.304 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -9.843 -7.810 1.299 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.314 -8.381 1.977 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.558 -9.227 5.032 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.164 -9.130 3.952 1.00 0.00 H new ATOM 1043 N HIS A 66 -12.813 -2.962 3.776 1.00 0.00 N ATOM 1044 CA HIS A 66 -12.925 -1.814 4.692 1.00 0.00 C ATOM 1045 C HIS A 66 -11.578 -1.077 4.811 1.00 0.00 C ATOM 1046 O HIS A 66 -10.893 -1.173 5.832 1.00 0.00 O ATOM 1047 CB HIS A 66 -13.557 -2.233 6.037 1.00 0.00 C ATOM 1048 CG HIS A 66 -12.962 -3.387 6.822 1.00 0.00 C ATOM 1049 ND1 HIS A 66 -13.485 -3.843 8.037 1.00 0.00 N ATOM 1050 CD2 HIS A 66 -11.899 -4.181 6.487 1.00 0.00 C ATOM 1051 CE1 HIS A 66 -12.731 -4.892 8.404 1.00 0.00 C ATOM 1052 NE2 HIS A 66 -11.776 -5.120 7.487 1.00 0.00 N ATOM 0 H HIS A 66 -11.902 -3.418 3.831 1.00 0.00 H new ATOM 0 HA HIS A 66 -13.617 -1.083 4.275 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -13.548 -1.358 6.687 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -14.602 -2.476 5.844 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -11.277 -4.089 5.609 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -12.872 -5.469 9.306 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -11.078 -5.863 7.525 1.00 0.00 H new ATOM 1060 N PRO A 67 -11.135 -0.381 3.745 1.00 0.00 N ATOM 1061 CA PRO A 67 -9.762 0.107 3.639 1.00 0.00 C ATOM 1062 C PRO A 67 -9.378 1.165 4.677 1.00 0.00 C ATOM 1063 O PRO A 67 -8.252 1.134 5.159 1.00 0.00 O ATOM 1064 CB PRO A 67 -9.599 0.623 2.203 1.00 0.00 C ATOM 1065 CG PRO A 67 -11.032 0.911 1.768 1.00 0.00 C ATOM 1066 CD PRO A 67 -11.842 -0.154 2.492 1.00 0.00 C ATOM 0 HA PRO A 67 -9.075 -0.710 3.857 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -8.980 1.519 2.166 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -9.125 -0.119 1.560 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -11.344 1.916 2.053 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -11.146 0.836 0.687 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.864 0.181 2.671 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -11.905 -1.069 1.903 1.00 0.00 H new ATOM 1074 N ASP A 68 -10.290 2.040 5.111 1.00 0.00 N ATOM 1075 CA ASP A 68 -9.980 3.009 6.176 1.00 0.00 C ATOM 1076 C ASP A 68 -9.879 2.362 7.577 1.00 0.00 C ATOM 1077 O ASP A 68 -9.423 3.005 8.526 1.00 0.00 O ATOM 1078 CB ASP A 68 -10.952 4.198 6.138 1.00 0.00 C ATOM 1079 CG ASP A 68 -12.399 3.816 6.473 1.00 0.00 C ATOM 1080 OD1 ASP A 68 -12.755 3.735 7.671 1.00 0.00 O ATOM 1081 OD2 ASP A 68 -13.191 3.635 5.518 1.00 0.00 O ATOM 0 H ASP A 68 -11.241 2.101 4.748 1.00 0.00 H new ATOM 0 HA ASP A 68 -8.982 3.397 5.973 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -10.613 4.957 6.843 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -10.924 4.649 5.146 1.00 0.00 H new ATOM 1086 N VAL A 69 -10.269 1.084 7.701 1.00 0.00 N ATOM 1087 CA VAL A 69 -10.151 0.273 8.923 1.00 0.00 C ATOM 1088 C VAL A 69 -8.874 -0.575 8.900 1.00 0.00 C ATOM 1089 O VAL A 69 -8.175 -0.656 9.911 1.00 0.00 O ATOM 1090 CB VAL A 69 -11.390 -0.630 9.117 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -11.365 -1.343 10.475 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -12.701 0.163 9.028 1.00 0.00 C ATOM 0 H VAL A 69 -10.689 0.569 6.927 1.00 0.00 H new ATOM 0 HA VAL A 69 -10.094 0.960 9.767 1.00 0.00 H new ATOM 0 HB VAL A 69 -11.348 -1.362 8.310 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -12.252 -1.968 10.574 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -10.473 -1.966 10.543 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -11.352 -0.602 11.275 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -13.545 -0.512 9.170 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -12.715 0.930 9.802 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -12.775 0.635 8.048 1.00 0.00 H new ATOM 1102 N GLU A 70 -8.555 -1.197 7.756 1.00 0.00 N ATOM 1103 CA GLU A 70 -7.472 -2.191 7.654 1.00 0.00 C ATOM 1104 C GLU A 70 -6.214 -1.763 6.887 1.00 0.00 C ATOM 1105 O GLU A 70 -5.176 -2.388 7.076 1.00 0.00 O ATOM 1106 CB GLU A 70 -8.015 -3.533 7.132 1.00 0.00 C ATOM 1107 CG GLU A 70 -8.576 -4.409 8.261 1.00 0.00 C ATOM 1108 CD GLU A 70 -7.497 -4.767 9.306 1.00 0.00 C ATOM 1109 OE1 GLU A 70 -6.467 -5.376 8.933 1.00 0.00 O ATOM 1110 OE2 GLU A 70 -7.657 -4.401 10.496 1.00 0.00 O ATOM 0 H GLU A 70 -9.039 -1.027 6.875 1.00 0.00 H new ATOM 0 HA GLU A 70 -7.116 -2.299 8.678 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.798 -3.345 6.397 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.218 -4.071 6.619 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.397 -3.886 8.752 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.989 -5.325 7.838 1.00 0.00 H new ATOM 1117 N VAL A 71 -6.248 -0.701 6.081 1.00 0.00 N ATOM 1118 CA VAL A 71 -5.043 -0.042 5.543 1.00 0.00 C ATOM 1119 C VAL A 71 -4.573 1.030 6.529 1.00 0.00 C ATOM 1120 O VAL A 71 -5.050 2.166 6.521 1.00 0.00 O ATOM 1121 CB VAL A 71 -5.281 0.513 4.132 1.00 0.00 C ATOM 1122 CG1 VAL A 71 -3.943 0.956 3.562 1.00 0.00 C ATOM 1123 CG2 VAL A 71 -5.833 -0.565 3.192 1.00 0.00 C ATOM 0 H VAL A 71 -7.118 -0.265 5.777 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.247 -0.779 5.436 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.996 1.332 4.205 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.089 1.354 2.558 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.514 1.728 4.200 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.266 0.103 3.519 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.990 -0.138 2.201 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.121 -1.388 3.124 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.781 -0.937 3.581 1.00 0.00 H new ATOM 1133 N ASP A 72 -3.612 0.681 7.387 1.00 0.00 N ATOM 1134 CA ASP A 72 -2.956 1.665 8.259 1.00 0.00 C ATOM 1135 C ASP A 72 -2.116 2.662 7.439 1.00 0.00 C ATOM 1136 O ASP A 72 -1.508 2.295 6.436 1.00 0.00 O ATOM 1137 CB ASP A 72 -2.119 0.957 9.330 1.00 0.00 C ATOM 1138 CG ASP A 72 -1.354 1.957 10.203 1.00 0.00 C ATOM 1139 OD1 ASP A 72 -2.001 2.776 10.894 1.00 0.00 O ATOM 1140 OD2 ASP A 72 -0.104 1.934 10.155 1.00 0.00 O ATOM 0 H ASP A 72 -3.269 -0.273 7.499 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.726 2.243 8.769 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -2.770 0.349 9.958 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.414 0.278 8.851 1.00 0.00 H new ATOM 1145 N GLY A 73 -2.089 3.929 7.860 1.00 0.00 N ATOM 1146 CA GLY A 73 -1.369 5.033 7.213 1.00 0.00 C ATOM 1147 C GLY A 73 -2.178 5.780 6.144 1.00 0.00 C ATOM 1148 O GLY A 73 -1.761 6.844 5.689 1.00 0.00 O ATOM 0 H GLY A 73 -2.589 4.228 8.697 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -1.057 5.744 7.978 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.462 4.639 6.755 1.00 0.00 H new ATOM 1152 N PHE A 74 -3.385 5.303 5.815 1.00 0.00 N ATOM 1153 CA PHE A 74 -4.361 5.956 4.927 1.00 0.00 C ATOM 1154 C PHE A 74 -4.721 7.381 5.382 1.00 0.00 C ATOM 1155 O PHE A 74 -4.989 8.255 4.557 1.00 0.00 O ATOM 1156 CB PHE A 74 -5.601 5.047 4.922 1.00 0.00 C ATOM 1157 CG PHE A 74 -6.788 5.524 4.110 1.00 0.00 C ATOM 1158 CD1 PHE A 74 -6.878 5.216 2.740 1.00 0.00 C ATOM 1159 CD2 PHE A 74 -7.833 6.230 4.739 1.00 0.00 C ATOM 1160 CE1 PHE A 74 -8.012 5.605 2.006 1.00 0.00 C ATOM 1161 CE2 PHE A 74 -8.963 6.624 4.002 1.00 0.00 C ATOM 1162 CZ PHE A 74 -9.056 6.303 2.638 1.00 0.00 C ATOM 0 H PHE A 74 -3.725 4.412 6.176 1.00 0.00 H new ATOM 0 HA PHE A 74 -3.940 6.077 3.929 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.304 4.067 4.548 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -5.927 4.909 5.953 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -6.076 4.681 2.253 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.765 6.469 5.790 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -8.081 5.367 0.955 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -9.759 7.173 4.484 1.00 0.00 H new ATOM 0 HZ PHE A 74 -9.930 6.593 2.074 1.00 0.00 H new ATOM 1172 N SER A 75 -4.653 7.649 6.687 1.00 0.00 N ATOM 1173 CA SER A 75 -4.856 8.975 7.290 1.00 0.00 C ATOM 1174 C SER A 75 -3.792 10.019 6.898 1.00 0.00 C ATOM 1175 O SER A 75 -4.019 11.215 7.083 1.00 0.00 O ATOM 1176 CB SER A 75 -4.884 8.832 8.816 1.00 0.00 C ATOM 1177 OG SER A 75 -5.884 7.904 9.213 1.00 0.00 O ATOM 0 H SER A 75 -4.449 6.928 7.379 1.00 0.00 H new ATOM 0 HA SER A 75 -5.804 9.347 6.902 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.909 8.500 9.173 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.078 9.802 9.274 1.00 0.00 H new ATOM 0 HG SER A 75 -5.887 7.824 10.190 1.00 0.00 H new ATOM 1183 N GLU A 76 -2.643 9.603 6.347 1.00 0.00 N ATOM 1184 CA GLU A 76 -1.583 10.509 5.866 1.00 0.00 C ATOM 1185 C GLU A 76 -1.810 11.007 4.423 1.00 0.00 C ATOM 1186 O GLU A 76 -1.172 11.970 3.990 1.00 0.00 O ATOM 1187 CB GLU A 76 -0.204 9.830 5.970 1.00 0.00 C ATOM 1188 CG GLU A 76 0.125 9.292 7.373 1.00 0.00 C ATOM 1189 CD GLU A 76 1.632 9.006 7.541 1.00 0.00 C ATOM 1190 OE1 GLU A 76 2.278 8.467 6.610 1.00 0.00 O ATOM 1191 OE2 GLU A 76 2.194 9.325 8.616 1.00 0.00 O ATOM 0 H GLU A 76 -2.418 8.616 6.220 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.618 11.385 6.514 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.161 9.006 5.257 1.00 0.00 H new ATOM 0 HB3 GLU A 76 0.565 10.545 5.677 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.193 10.016 8.123 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.440 8.378 7.553 1.00 0.00 H new ATOM 1198 N LEU A 77 -2.709 10.361 3.669 1.00 0.00 N ATOM 1199 CA LEU A 77 -2.991 10.645 2.257 1.00 0.00 C ATOM 1200 C LEU A 77 -3.948 11.844 2.102 1.00 0.00 C ATOM 1201 O LEU A 77 -4.815 12.079 2.951 1.00 0.00 O ATOM 1202 CB LEU A 77 -3.589 9.387 1.592 1.00 0.00 C ATOM 1203 CG LEU A 77 -2.631 8.229 1.247 1.00 0.00 C ATOM 1204 CD1 LEU A 77 -1.700 7.771 2.366 1.00 0.00 C ATOM 1205 CD2 LEU A 77 -3.469 7.033 0.797 1.00 0.00 C ATOM 0 H LEU A 77 -3.279 9.600 4.039 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.056 10.910 1.763 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.363 8.995 2.252 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.083 9.698 0.671 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.974 8.619 0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.075 6.954 2.007 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.067 8.603 2.676 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.292 7.429 3.215 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.811 6.201 0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.141 6.736 1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.054 7.308 -0.080 1.00 0.00 H new ATOM 1217 N ARG A 78 -3.845 12.570 0.980 1.00 0.00 N ATOM 1218 CA ARG A 78 -4.839 13.580 0.562 1.00 0.00 C ATOM 1219 C ARG A 78 -6.144 12.932 0.109 1.00 0.00 C ATOM 1220 O ARG A 78 -6.169 11.759 -0.266 1.00 0.00 O ATOM 1221 CB ARG A 78 -4.269 14.488 -0.550 1.00 0.00 C ATOM 1222 CG ARG A 78 -3.387 15.620 -0.004 1.00 0.00 C ATOM 1223 CD ARG A 78 -4.227 16.688 0.713 1.00 0.00 C ATOM 1224 NE ARG A 78 -3.386 17.816 1.164 1.00 0.00 N ATOM 1225 CZ ARG A 78 -3.798 18.927 1.750 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -5.056 19.154 2.007 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -2.941 19.846 2.094 1.00 0.00 N ATOM 0 H ARG A 78 -3.065 12.475 0.329 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.060 14.197 1.433 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -3.686 13.882 -1.243 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.093 14.919 -1.119 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -2.651 15.209 0.687 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -2.833 16.079 -0.823 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.003 17.055 0.041 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.732 16.242 1.570 1.00 0.00 H new ATOM 0 HE ARG A 78 -2.382 17.728 1.007 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.761 18.462 1.754 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -5.335 20.024 2.461 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.947 19.710 1.911 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.264 20.701 2.546 1.00 0.00 H new ATOM 1241 N TRP A 79 -7.220 13.718 0.090 1.00 0.00 N ATOM 1242 CA TRP A 79 -8.564 13.257 -0.276 1.00 0.00 C ATOM 1243 C TRP A 79 -8.599 12.554 -1.648 1.00 0.00 C ATOM 1244 O TRP A 79 -9.165 11.471 -1.762 1.00 0.00 O ATOM 1245 CB TRP A 79 -9.562 14.426 -0.161 1.00 0.00 C ATOM 1246 CG TRP A 79 -10.613 14.515 -1.226 1.00 0.00 C ATOM 1247 CD1 TRP A 79 -11.839 13.944 -1.205 1.00 0.00 C ATOM 1248 CD2 TRP A 79 -10.517 15.211 -2.503 1.00 0.00 C ATOM 1249 NE1 TRP A 79 -12.504 14.241 -2.383 1.00 0.00 N ATOM 1250 CE2 TRP A 79 -11.730 15.010 -3.226 1.00 0.00 C ATOM 1251 CE3 TRP A 79 -9.510 15.979 -3.123 1.00 0.00 C ATOM 1252 CZ2 TRP A 79 -11.931 15.547 -4.507 1.00 0.00 C ATOM 1253 CZ3 TRP A 79 -9.697 16.517 -4.410 1.00 0.00 C ATOM 1254 CH2 TRP A 79 -10.905 16.304 -5.102 1.00 0.00 C ATOM 0 H TRP A 79 -7.185 14.708 0.332 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.871 12.486 0.431 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -10.061 14.355 0.806 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.997 15.358 -0.160 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -12.237 13.349 -0.396 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -13.450 13.929 -2.600 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -8.581 16.157 -2.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -12.862 15.381 -5.030 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -8.910 17.096 -4.869 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -11.044 16.721 -6.088 1.00 0.00 H new ATOM 1265 N ASP A 80 -7.918 13.086 -2.666 1.00 0.00 N ATOM 1266 CA ASP A 80 -7.871 12.495 -4.015 1.00 0.00 C ATOM 1267 C ASP A 80 -7.159 11.126 -4.059 1.00 0.00 C ATOM 1268 O ASP A 80 -7.483 10.274 -4.885 1.00 0.00 O ATOM 1269 CB ASP A 80 -7.197 13.492 -4.967 1.00 0.00 C ATOM 1270 CG ASP A 80 -7.244 13.023 -6.432 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -8.352 12.977 -7.021 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -6.169 12.738 -7.015 1.00 0.00 O ATOM 0 H ASP A 80 -7.377 13.947 -2.581 1.00 0.00 H new ATOM 0 HA ASP A 80 -8.896 12.301 -4.330 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -7.688 14.461 -4.882 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.159 13.633 -4.666 1.00 0.00 H new ATOM 1277 N ASP A 81 -6.204 10.897 -3.157 1.00 0.00 N ATOM 1278 CA ASP A 81 -5.437 9.659 -3.034 1.00 0.00 C ATOM 1279 C ASP A 81 -6.189 8.650 -2.165 1.00 0.00 C ATOM 1280 O ASP A 81 -6.262 7.482 -2.531 1.00 0.00 O ATOM 1281 CB ASP A 81 -4.027 9.957 -2.505 1.00 0.00 C ATOM 1282 CG ASP A 81 -3.140 10.535 -3.618 1.00 0.00 C ATOM 1283 OD1 ASP A 81 -2.622 9.732 -4.431 1.00 0.00 O ATOM 1284 OD2 ASP A 81 -2.978 11.775 -3.702 1.00 0.00 O ATOM 0 H ASP A 81 -5.934 11.597 -2.466 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.321 9.206 -4.018 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -4.086 10.663 -1.677 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -3.579 9.043 -2.114 1.00 0.00 H new ATOM 1289 N GLN A 82 -6.854 9.097 -1.095 1.00 0.00 N ATOM 1290 CA GLN A 82 -7.815 8.302 -0.329 1.00 0.00 C ATOM 1291 C GLN A 82 -8.951 7.781 -1.219 1.00 0.00 C ATOM 1292 O GLN A 82 -9.235 6.585 -1.206 1.00 0.00 O ATOM 1293 CB GLN A 82 -8.375 9.150 0.824 1.00 0.00 C ATOM 1294 CG GLN A 82 -7.355 9.303 1.960 1.00 0.00 C ATOM 1295 CD GLN A 82 -7.882 10.109 3.148 1.00 0.00 C ATOM 1296 OE1 GLN A 82 -8.865 10.838 3.079 1.00 0.00 O ATOM 1297 NE2 GLN A 82 -7.240 10.016 4.292 1.00 0.00 N ATOM 0 H GLN A 82 -6.736 10.042 -0.731 1.00 0.00 H new ATOM 0 HA GLN A 82 -7.299 7.432 0.078 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.654 10.135 0.450 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.283 8.686 1.210 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.057 8.313 2.306 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -6.459 9.788 1.571 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.420 9.415 4.369 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.562 10.545 5.102 1.00 0.00 H new ATOM 1306 N GLN A 83 -9.551 8.632 -2.057 1.00 0.00 N ATOM 1307 CA GLN A 83 -10.599 8.241 -3.009 1.00 0.00 C ATOM 1308 C GLN A 83 -10.102 7.240 -4.066 1.00 0.00 C ATOM 1309 O GLN A 83 -10.862 6.367 -4.481 1.00 0.00 O ATOM 1310 CB GLN A 83 -11.156 9.499 -3.701 1.00 0.00 C ATOM 1311 CG GLN A 83 -11.996 10.400 -2.780 1.00 0.00 C ATOM 1312 CD GLN A 83 -13.345 9.783 -2.417 1.00 0.00 C ATOM 1313 OE1 GLN A 83 -14.292 9.787 -3.193 1.00 0.00 O ATOM 1314 NE2 GLN A 83 -13.488 9.217 -1.237 1.00 0.00 N ATOM 0 H GLN A 83 -9.321 9.625 -2.095 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.383 7.739 -2.442 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -10.324 10.080 -4.100 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -11.768 9.193 -4.550 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -11.436 10.601 -1.867 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -12.161 11.360 -3.270 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -12.709 9.205 -0.579 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -14.378 8.790 -0.981 1.00 0.00 H new ATOM 1323 N LYS A 84 -8.828 7.311 -4.468 1.00 0.00 N ATOM 1324 CA LYS A 84 -8.193 6.444 -5.459 1.00 0.00 C ATOM 1325 C LYS A 84 -7.794 5.114 -4.827 1.00 0.00 C ATOM 1326 O LYS A 84 -8.007 4.078 -5.445 1.00 0.00 O ATOM 1327 CB LYS A 84 -7.040 7.252 -6.080 1.00 0.00 C ATOM 1328 CG LYS A 84 -6.082 6.501 -7.010 1.00 0.00 C ATOM 1329 CD LYS A 84 -4.906 5.850 -6.266 1.00 0.00 C ATOM 1330 CE LYS A 84 -3.996 6.785 -5.453 1.00 0.00 C ATOM 1331 NZ LYS A 84 -3.339 7.827 -6.284 1.00 0.00 N ATOM 0 H LYS A 84 -8.185 8.008 -4.092 1.00 0.00 H new ATOM 0 HA LYS A 84 -8.868 6.156 -6.265 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -7.472 8.083 -6.639 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -6.454 7.684 -5.268 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -6.636 5.731 -7.547 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -5.693 7.193 -7.757 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.308 5.095 -5.590 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.289 5.327 -6.997 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -4.585 7.268 -4.674 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -3.231 6.192 -4.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -2.849 8.506 -5.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -2.650 7.379 -6.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -4.057 8.326 -6.846 1.00 0.00 H new ATOM 1345 N VAL A 85 -7.311 5.111 -3.582 1.00 0.00 N ATOM 1346 CA VAL A 85 -7.057 3.873 -2.814 1.00 0.00 C ATOM 1347 C VAL A 85 -8.380 3.164 -2.531 1.00 0.00 C ATOM 1348 O VAL A 85 -8.477 1.968 -2.786 1.00 0.00 O ATOM 1349 CB VAL A 85 -6.285 4.154 -1.503 1.00 0.00 C ATOM 1350 CG1 VAL A 85 -6.183 2.929 -0.576 1.00 0.00 C ATOM 1351 CG2 VAL A 85 -4.848 4.612 -1.773 1.00 0.00 C ATOM 0 H VAL A 85 -7.082 5.964 -3.071 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.424 3.222 -3.417 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.868 4.936 -1.017 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.629 3.198 0.323 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.184 2.597 -0.300 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.663 2.123 -1.094 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.342 4.798 -0.826 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.316 3.835 -2.322 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.863 5.528 -2.363 1.00 0.00 H new ATOM 1361 N LYS A 86 -9.431 3.884 -2.108 1.00 0.00 N ATOM 1362 CA LYS A 86 -10.773 3.311 -1.912 1.00 0.00 C ATOM 1363 C LYS A 86 -11.374 2.769 -3.211 1.00 0.00 C ATOM 1364 O LYS A 86 -11.849 1.635 -3.224 1.00 0.00 O ATOM 1365 CB LYS A 86 -11.713 4.330 -1.240 1.00 0.00 C ATOM 1366 CG LYS A 86 -11.397 4.480 0.258 1.00 0.00 C ATOM 1367 CD LYS A 86 -12.546 5.148 1.028 1.00 0.00 C ATOM 1368 CE LYS A 86 -12.423 4.830 2.523 1.00 0.00 C ATOM 1369 NZ LYS A 86 -13.631 5.237 3.286 1.00 0.00 N ATOM 0 H LYS A 86 -9.375 4.879 -1.892 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.661 2.458 -1.243 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -11.616 5.297 -1.733 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -12.748 4.011 -1.365 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -11.198 3.498 0.686 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -10.489 5.071 0.379 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -12.521 6.227 0.873 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -13.505 4.793 0.649 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.257 3.760 2.652 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -11.550 5.340 2.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -13.699 4.672 4.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.563 6.245 3.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -14.479 5.079 2.704 1.00 0.00 H new ATOM 1383 N LYS A 87 -11.278 3.504 -4.326 1.00 0.00 N ATOM 1384 CA LYS A 87 -11.739 3.019 -5.643 1.00 0.00 C ATOM 1385 C LYS A 87 -10.955 1.787 -6.080 1.00 0.00 C ATOM 1386 O LYS A 87 -11.554 0.807 -6.514 1.00 0.00 O ATOM 1387 CB LYS A 87 -11.683 4.169 -6.667 1.00 0.00 C ATOM 1388 CG LYS A 87 -12.242 3.825 -8.061 1.00 0.00 C ATOM 1389 CD LYS A 87 -11.197 3.263 -9.041 1.00 0.00 C ATOM 1390 CE LYS A 87 -11.848 3.031 -10.411 1.00 0.00 C ATOM 1391 NZ LYS A 87 -10.870 2.530 -11.411 1.00 0.00 N ATOM 0 H LYS A 87 -10.883 4.444 -4.347 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.778 2.698 -5.571 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -12.238 5.018 -6.268 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.647 4.489 -6.776 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -13.045 3.097 -7.948 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -12.684 4.722 -8.494 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -10.363 3.958 -9.137 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -10.790 2.327 -8.657 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -12.663 2.314 -10.309 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -12.286 3.963 -10.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -11.349 2.386 -12.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -10.105 3.225 -11.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -10.470 1.627 -11.084 1.00 0.00 H new ATOM 1405 N THR A 88 -9.636 1.787 -5.903 1.00 0.00 N ATOM 1406 CA THR A 88 -8.772 0.657 -6.267 1.00 0.00 C ATOM 1407 C THR A 88 -8.994 -0.568 -5.368 1.00 0.00 C ATOM 1408 O THR A 88 -8.925 -1.700 -5.843 1.00 0.00 O ATOM 1409 CB THR A 88 -7.298 1.069 -6.315 1.00 0.00 C ATOM 1410 OG1 THR A 88 -7.132 2.205 -7.136 1.00 0.00 O ATOM 1411 CG2 THR A 88 -6.472 -0.010 -6.991 1.00 0.00 C ATOM 0 H THR A 88 -9.129 2.575 -5.500 1.00 0.00 H new ATOM 0 HA THR A 88 -9.060 0.355 -7.274 1.00 0.00 H new ATOM 0 HB THR A 88 -6.987 1.250 -5.286 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.521 2.988 -6.694 1.00 0.00 H new ATOM 0 HG21 THR A 88 -5.426 0.296 -7.018 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.563 -0.942 -6.432 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.833 -0.160 -8.009 1.00 0.00 H new ATOM 1419 N ALA A 89 -9.354 -0.361 -4.101 1.00 0.00 N ATOM 1420 CA ALA A 89 -9.700 -1.400 -3.141 1.00 0.00 C ATOM 1421 C ALA A 89 -11.019 -2.090 -3.505 1.00 0.00 C ATOM 1422 O ALA A 89 -11.125 -3.311 -3.374 1.00 0.00 O ATOM 1423 CB ALA A 89 -9.762 -0.747 -1.757 1.00 0.00 C ATOM 0 H ALA A 89 -9.414 0.576 -3.703 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.944 -2.185 -3.149 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -10.020 -1.499 -1.011 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -8.791 -0.314 -1.515 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -10.519 0.037 -1.758 1.00 0.00 H new ATOM 1429 N GLU A 90 -11.985 -1.330 -4.037 1.00 0.00 N ATOM 1430 CA GLU A 90 -13.212 -1.893 -4.611 1.00 0.00 C ATOM 1431 C GLU A 90 -12.961 -2.581 -5.967 1.00 0.00 C ATOM 1432 O GLU A 90 -13.562 -3.615 -6.267 1.00 0.00 O ATOM 1433 CB GLU A 90 -14.298 -0.816 -4.771 1.00 0.00 C ATOM 1434 CG GLU A 90 -14.801 -0.251 -3.438 1.00 0.00 C ATOM 1435 CD GLU A 90 -16.032 0.650 -3.655 1.00 0.00 C ATOM 1436 OE1 GLU A 90 -15.869 1.858 -3.952 1.00 0.00 O ATOM 1437 OE2 GLU A 90 -17.180 0.155 -3.525 1.00 0.00 O ATOM 0 H GLU A 90 -11.938 -0.312 -4.081 1.00 0.00 H new ATOM 0 HA GLU A 90 -13.560 -2.650 -3.908 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -13.903 -0.000 -5.376 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -15.140 -1.239 -5.318 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -15.058 -1.069 -2.765 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -14.007 0.320 -2.957 1.00 0.00 H new ATOM 1444 N ALA A 91 -12.059 -2.021 -6.778 1.00 0.00 N ATOM 1445 CA ALA A 91 -11.727 -2.496 -8.121 1.00 0.00 C ATOM 1446 C ALA A 91 -10.855 -3.773 -8.137 1.00 0.00 C ATOM 1447 O ALA A 91 -10.920 -4.553 -9.089 1.00 0.00 O ATOM 1448 CB ALA A 91 -11.035 -1.333 -8.850 1.00 0.00 C ATOM 0 H ALA A 91 -11.523 -1.197 -6.507 1.00 0.00 H new ATOM 0 HA ALA A 91 -12.645 -2.794 -8.627 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -10.769 -1.644 -9.860 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -11.712 -0.480 -8.899 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.133 -1.049 -8.308 1.00 0.00 H new ATOM 1454 N GLY A 92 -10.031 -3.990 -7.103 1.00 0.00 N ATOM 1455 CA GLY A 92 -9.049 -5.083 -7.028 1.00 0.00 C ATOM 1456 C GLY A 92 -7.885 -4.950 -8.025 1.00 0.00 C ATOM 1457 O GLY A 92 -7.252 -5.949 -8.371 1.00 0.00 O ATOM 0 H GLY A 92 -10.028 -3.396 -6.274 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -8.644 -5.125 -6.017 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -9.560 -6.029 -7.206 1.00 0.00 H new ATOM 1461 N GLY A 93 -7.633 -3.738 -8.533 1.00 0.00 N ATOM 1462 CA GLY A 93 -6.688 -3.454 -9.615 1.00 0.00 C ATOM 1463 C GLY A 93 -6.815 -2.015 -10.122 1.00 0.00 C ATOM 1464 O GLY A 93 -7.926 -1.514 -10.310 1.00 0.00 O ATOM 0 H GLY A 93 -8.099 -2.899 -8.188 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.671 -3.626 -9.263 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -6.862 -4.146 -10.439 1.00 0.00 H new ATOM 1468 N VAL A 94 -5.679 -1.349 -10.338 1.00 0.00 N ATOM 1469 CA VAL A 94 -5.601 0.006 -10.919 1.00 0.00 C ATOM 1470 C VAL A 94 -5.397 -0.048 -12.439 1.00 0.00 C ATOM 1471 O VAL A 94 -4.750 -0.959 -12.963 1.00 0.00 O ATOM 1472 CB VAL A 94 -4.545 0.868 -10.195 1.00 0.00 C ATOM 1473 CG1 VAL A 94 -3.101 0.400 -10.417 1.00 0.00 C ATOM 1474 CG2 VAL A 94 -4.644 2.351 -10.577 1.00 0.00 C ATOM 0 H VAL A 94 -4.764 -1.739 -10.111 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.559 0.501 -10.759 1.00 0.00 H new ATOM 0 HB VAL A 94 -4.781 0.742 -9.138 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.419 1.056 -9.876 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -2.989 -0.621 -10.051 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -2.868 0.432 -11.481 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.881 2.916 -10.042 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -4.491 2.461 -11.651 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -5.630 2.730 -10.310 1.00 0.00 H new ATOM 1484 N THR A 95 -5.955 0.928 -13.154 1.00 0.00 N ATOM 1485 CA THR A 95 -5.821 1.088 -14.611 1.00 0.00 C ATOM 1486 C THR A 95 -4.516 1.802 -14.998 1.00 0.00 C ATOM 1487 O THR A 95 -3.932 2.545 -14.202 1.00 0.00 O ATOM 1488 CB THR A 95 -7.043 1.822 -15.191 1.00 0.00 C ATOM 1489 OG1 THR A 95 -7.265 3.042 -14.509 1.00 0.00 O ATOM 1490 CG2 THR A 95 -8.314 0.983 -15.040 1.00 0.00 C ATOM 0 H THR A 95 -6.531 1.654 -12.728 1.00 0.00 H new ATOM 0 HA THR A 95 -5.778 0.089 -15.044 1.00 0.00 H new ATOM 0 HB THR A 95 -6.830 2.002 -16.245 1.00 0.00 H new ATOM 0 HG1 THR A 95 -8.045 3.494 -14.893 1.00 0.00 H new ATOM 0 HG21 THR A 95 -9.161 1.527 -15.458 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.192 0.038 -15.570 1.00 0.00 H new ATOM 0 HG23 THR A 95 -8.496 0.785 -13.984 1.00 0.00 H new ATOM 1498 N GLY A 96 -4.042 1.584 -16.229 1.00 0.00 N ATOM 1499 CA GLY A 96 -2.765 2.126 -16.716 1.00 0.00 C ATOM 1500 C GLY A 96 -1.523 1.335 -16.268 1.00 0.00 C ATOM 1501 O GLY A 96 -1.620 0.335 -15.550 1.00 0.00 O ATOM 0 H GLY A 96 -4.536 1.022 -16.922 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -2.789 2.154 -17.805 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -2.667 3.156 -16.373 1.00 0.00 H new ATOM 1505 N LYS A 97 -0.345 1.784 -16.721 1.00 0.00 N ATOM 1506 CA LYS A 97 0.972 1.167 -16.463 1.00 0.00 C ATOM 1507 C LYS A 97 2.086 2.227 -16.430 1.00 0.00 C ATOM 1508 O LYS A 97 2.053 3.184 -17.206 1.00 0.00 O ATOM 1509 CB LYS A 97 1.231 0.103 -17.550 1.00 0.00 C ATOM 1510 CG LYS A 97 2.471 -0.768 -17.279 1.00 0.00 C ATOM 1511 CD LYS A 97 2.724 -1.810 -18.380 1.00 0.00 C ATOM 1512 CE LYS A 97 1.598 -2.850 -18.479 1.00 0.00 C ATOM 1513 NZ LYS A 97 1.893 -3.876 -19.514 1.00 0.00 N ATOM 0 H LYS A 97 -0.276 2.620 -17.301 1.00 0.00 H new ATOM 0 HA LYS A 97 0.971 0.690 -15.483 1.00 0.00 H new ATOM 0 HB2 LYS A 97 0.356 -0.542 -17.631 1.00 0.00 H new ATOM 0 HB3 LYS A 97 1.351 0.601 -18.512 1.00 0.00 H new ATOM 0 HG2 LYS A 97 3.347 -0.125 -17.186 1.00 0.00 H new ATOM 0 HG3 LYS A 97 2.348 -1.279 -16.324 1.00 0.00 H new ATOM 0 HD2 LYS A 97 2.830 -1.302 -19.339 1.00 0.00 H new ATOM 0 HD3 LYS A 97 3.668 -2.319 -18.183 1.00 0.00 H new ATOM 0 HE2 LYS A 97 1.463 -3.335 -17.512 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.659 -2.350 -18.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 1.113 -4.562 -19.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.997 -3.415 -20.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 2.776 -4.369 -19.272 1.00 0.00 H new ATOM 1527 N GLY A 98 3.080 2.045 -15.557 1.00 0.00 N ATOM 1528 CA GLY A 98 4.264 2.909 -15.460 1.00 0.00 C ATOM 1529 C GLY A 98 5.178 2.582 -14.271 1.00 0.00 C ATOM 1530 O GLY A 98 4.780 1.883 -13.335 1.00 0.00 O ATOM 0 H GLY A 98 3.086 1.279 -14.884 1.00 0.00 H new ATOM 0 HA2 GLY A 98 4.840 2.825 -16.382 1.00 0.00 H new ATOM 0 HA3 GLY A 98 3.939 3.946 -15.381 1.00 0.00 H new ATOM 1534 N GLN A 99 6.409 3.097 -14.313 1.00 0.00 N ATOM 1535 CA GLN A 99 7.418 3.006 -13.245 1.00 0.00 C ATOM 1536 C GLN A 99 8.342 4.241 -13.302 1.00 0.00 C ATOM 1537 O GLN A 99 8.664 4.724 -14.391 1.00 0.00 O ATOM 1538 CB GLN A 99 8.219 1.690 -13.400 1.00 0.00 C ATOM 1539 CG GLN A 99 8.554 0.993 -12.070 1.00 0.00 C ATOM 1540 CD GLN A 99 9.459 1.813 -11.156 1.00 0.00 C ATOM 1541 OE1 GLN A 99 8.999 2.505 -10.260 1.00 0.00 O ATOM 1542 NE2 GLN A 99 10.758 1.797 -11.355 1.00 0.00 N ATOM 0 H GLN A 99 6.748 3.612 -15.126 1.00 0.00 H new ATOM 0 HA GLN A 99 6.931 2.992 -12.270 1.00 0.00 H new ATOM 0 HB2 GLN A 99 7.648 1.002 -14.024 1.00 0.00 H new ATOM 0 HB3 GLN A 99 9.148 1.904 -13.929 1.00 0.00 H new ATOM 0 HG2 GLN A 99 7.626 0.771 -11.543 1.00 0.00 H new ATOM 0 HG3 GLN A 99 9.036 0.039 -12.282 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.153 1.223 -12.100 1.00 0.00 H new ATOM 0 HE22 GLN A 99 11.371 2.359 -10.764 1.00 0.00 H new ATOM 1551 N ASP A 100 8.778 4.754 -12.150 1.00 0.00 N ATOM 1552 CA ASP A 100 9.713 5.884 -12.037 1.00 0.00 C ATOM 1553 C ASP A 100 10.540 5.800 -10.740 1.00 0.00 C ATOM 1554 O ASP A 100 9.996 5.548 -9.663 1.00 0.00 O ATOM 1555 CB ASP A 100 8.937 7.211 -12.098 1.00 0.00 C ATOM 1556 CG ASP A 100 9.871 8.432 -12.029 1.00 0.00 C ATOM 1557 OD1 ASP A 100 10.830 8.506 -12.835 1.00 0.00 O ATOM 1558 OD2 ASP A 100 9.649 9.321 -11.174 1.00 0.00 O ATOM 0 H ASP A 100 8.485 4.388 -11.244 1.00 0.00 H new ATOM 0 HA ASP A 100 10.409 5.838 -12.874 1.00 0.00 H new ATOM 0 HB2 ASP A 100 8.358 7.250 -13.021 1.00 0.00 H new ATOM 0 HB3 ASP A 100 8.225 7.252 -11.273 1.00 0.00 H new ATOM 1563 N GLY A 101 11.854 6.033 -10.840 1.00 0.00 N ATOM 1564 CA GLY A 101 12.810 5.899 -9.732 1.00 0.00 C ATOM 1565 C GLY A 101 13.146 4.446 -9.357 1.00 0.00 C ATOM 1566 O GLY A 101 12.549 3.491 -9.864 1.00 0.00 O ATOM 0 H GLY A 101 12.293 6.327 -11.713 1.00 0.00 H new ATOM 0 HA2 GLY A 101 13.732 6.415 -9.999 1.00 0.00 H new ATOM 0 HA3 GLY A 101 12.405 6.404 -8.855 1.00 0.00 H new ATOM 1570 N ILE A 102 14.146 4.278 -8.483 1.00 0.00 N ATOM 1571 CA ILE A 102 14.707 2.971 -8.083 1.00 0.00 C ATOM 1572 C ILE A 102 15.183 2.978 -6.614 1.00 0.00 C ATOM 1573 O ILE A 102 16.240 2.457 -6.258 1.00 0.00 O ATOM 1574 CB ILE A 102 15.755 2.511 -9.132 1.00 0.00 C ATOM 1575 CG1 ILE A 102 16.060 1.000 -9.012 1.00 0.00 C ATOM 1576 CG2 ILE A 102 17.023 3.388 -9.135 1.00 0.00 C ATOM 1577 CD1 ILE A 102 16.876 0.442 -10.185 1.00 0.00 C ATOM 0 H ILE A 102 14.602 5.064 -8.020 1.00 0.00 H new ATOM 0 HA ILE A 102 13.929 2.207 -8.089 1.00 0.00 H new ATOM 0 HB ILE A 102 15.305 2.658 -10.114 1.00 0.00 H new ATOM 0 HG12 ILE A 102 16.604 0.820 -8.084 1.00 0.00 H new ATOM 0 HG13 ILE A 102 15.120 0.453 -8.942 1.00 0.00 H new ATOM 0 HG21 ILE A 102 17.719 3.019 -9.888 1.00 0.00 H new ATOM 0 HG22 ILE A 102 16.752 4.418 -9.365 1.00 0.00 H new ATOM 0 HG23 ILE A 102 17.495 3.348 -8.154 1.00 0.00 H new ATOM 0 HD11 ILE A 102 17.052 -0.623 -10.032 1.00 0.00 H new ATOM 0 HD12 ILE A 102 16.325 0.589 -11.114 1.00 0.00 H new ATOM 0 HD13 ILE A 102 17.832 0.963 -10.243 1.00 0.00 H new ATOM 1589 N GLY A 103 14.395 3.604 -5.736 1.00 0.00 N ATOM 1590 CA GLY A 103 14.748 3.791 -4.327 1.00 0.00 C ATOM 1591 C GLY A 103 15.786 4.900 -4.109 1.00 0.00 C ATOM 1592 O GLY A 103 15.969 5.778 -4.957 1.00 0.00 O ATOM 0 H GLY A 103 13.488 3.998 -5.985 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.847 4.028 -3.761 1.00 0.00 H new ATOM 0 HA3 GLY A 103 15.137 2.854 -3.929 1.00 0.00 H new ATOM 1596 N SER A 104 16.464 4.871 -2.960 1.00 0.00 N ATOM 1597 CA SER A 104 17.554 5.800 -2.625 1.00 0.00 C ATOM 1598 C SER A 104 18.821 5.536 -3.457 1.00 0.00 C ATOM 1599 O SER A 104 19.125 4.391 -3.806 1.00 0.00 O ATOM 1600 CB SER A 104 17.882 5.732 -1.129 1.00 0.00 C ATOM 1601 OG SER A 104 16.798 6.236 -0.360 1.00 0.00 O ATOM 0 H SER A 104 16.271 4.193 -2.223 1.00 0.00 H new ATOM 0 HA SER A 104 17.203 6.803 -2.870 1.00 0.00 H new ATOM 0 HB2 SER A 104 18.091 4.701 -0.843 1.00 0.00 H new ATOM 0 HB3 SER A 104 18.783 6.309 -0.921 1.00 0.00 H new ATOM 0 HG SER A 104 16.914 7.199 -0.223 1.00 0.00 H new ATOM 1607 N LYS A 105 19.571 6.605 -3.759 1.00 0.00 N ATOM 1608 CA LYS A 105 20.784 6.598 -4.603 1.00 0.00 C ATOM 1609 C LYS A 105 21.886 7.523 -4.067 1.00 0.00 C ATOM 1610 O LYS A 105 21.615 8.441 -3.289 1.00 0.00 O ATOM 1611 CB LYS A 105 20.406 6.943 -6.062 1.00 0.00 C ATOM 1612 CG LYS A 105 19.737 8.321 -6.225 1.00 0.00 C ATOM 1613 CD LYS A 105 19.513 8.674 -7.701 1.00 0.00 C ATOM 1614 CE LYS A 105 18.767 10.011 -7.799 1.00 0.00 C ATOM 1615 NZ LYS A 105 18.603 10.455 -9.205 1.00 0.00 N ATOM 0 H LYS A 105 19.344 7.537 -3.411 1.00 0.00 H new ATOM 0 HA LYS A 105 21.205 5.593 -4.575 1.00 0.00 H new ATOM 0 HB2 LYS A 105 21.305 6.912 -6.677 1.00 0.00 H new ATOM 0 HB3 LYS A 105 19.732 6.176 -6.443 1.00 0.00 H new ATOM 0 HG2 LYS A 105 18.781 8.325 -5.701 1.00 0.00 H new ATOM 0 HG3 LYS A 105 20.359 9.085 -5.759 1.00 0.00 H new ATOM 0 HD2 LYS A 105 20.470 8.740 -8.219 1.00 0.00 H new ATOM 0 HD3 LYS A 105 18.938 7.888 -8.191 1.00 0.00 H new ATOM 0 HE2 LYS A 105 17.786 9.914 -7.333 1.00 0.00 H new ATOM 0 HE3 LYS A 105 19.312 10.772 -7.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 18.036 11.326 -9.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 19.538 10.638 -9.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 18.120 9.712 -9.750 1.00 0.00 H new ATOM 1629 N ALA A 106 23.118 7.299 -4.525 1.00 0.00 N ATOM 1630 CA ALA A 106 24.309 8.103 -4.215 1.00 0.00 C ATOM 1631 C ALA A 106 24.692 9.093 -5.346 1.00 0.00 C ATOM 1632 O ALA A 106 25.819 9.592 -5.392 1.00 0.00 O ATOM 1633 CB ALA A 106 25.446 7.140 -3.840 1.00 0.00 C ATOM 0 H ALA A 106 23.326 6.520 -5.149 1.00 0.00 H new ATOM 0 HA ALA A 106 24.094 8.755 -3.368 1.00 0.00 H new ATOM 0 HB1 ALA A 106 26.344 7.711 -3.605 1.00 0.00 H new ATOM 0 HB2 ALA A 106 25.152 6.551 -2.971 1.00 0.00 H new ATOM 0 HB3 ALA A 106 25.649 6.473 -4.678 1.00 0.00 H new ATOM 1639 N GLU A 107 23.770 9.361 -6.276 1.00 0.00 N ATOM 1640 CA GLU A 107 23.968 10.180 -7.484 1.00 0.00 C ATOM 1641 C GLU A 107 22.871 11.253 -7.645 1.00 0.00 C ATOM 1642 O GLU A 107 21.829 11.202 -6.981 1.00 0.00 O ATOM 1643 CB GLU A 107 24.019 9.269 -8.726 1.00 0.00 C ATOM 1644 CG GLU A 107 25.207 8.296 -8.716 1.00 0.00 C ATOM 1645 CD GLU A 107 25.275 7.494 -10.030 1.00 0.00 C ATOM 1646 OE1 GLU A 107 24.658 6.403 -10.116 1.00 0.00 O ATOM 1647 OE2 GLU A 107 25.953 7.943 -10.988 1.00 0.00 O ATOM 0 H GLU A 107 22.819 8.997 -6.207 1.00 0.00 H new ATOM 0 HA GLU A 107 24.916 10.707 -7.379 1.00 0.00 H new ATOM 0 HB2 GLU A 107 23.092 8.699 -8.789 1.00 0.00 H new ATOM 0 HB3 GLU A 107 24.073 9.889 -9.621 1.00 0.00 H new ATOM 0 HG2 GLU A 107 26.135 8.851 -8.576 1.00 0.00 H new ATOM 0 HG3 GLU A 107 25.114 7.612 -7.873 1.00 0.00 H new ATOM 1654 N LYS A 108 23.103 12.224 -8.541 1.00 0.00 N ATOM 1655 CA LYS A 108 22.156 13.304 -8.886 1.00 0.00 C ATOM 1656 C LYS A 108 20.846 12.778 -9.495 1.00 0.00 C ATOM 1657 O LYS A 108 19.785 13.384 -9.229 1.00 0.00 O ATOM 1658 CB LYS A 108 22.830 14.317 -9.830 1.00 0.00 C ATOM 1659 CG LYS A 108 24.001 15.062 -9.167 1.00 0.00 C ATOM 1660 CD LYS A 108 24.602 16.104 -10.119 1.00 0.00 C ATOM 1661 CE LYS A 108 25.769 16.829 -9.439 1.00 0.00 C ATOM 1662 NZ LYS A 108 26.380 17.848 -10.334 1.00 0.00 N ATOM 1663 OXT LYS A 108 20.864 11.752 -10.214 1.00 0.00 O ATOM 0 H LYS A 108 23.978 12.285 -9.062 1.00 0.00 H new ATOM 0 HA LYS A 108 21.884 13.802 -7.956 1.00 0.00 H new ATOM 0 HB2 LYS A 108 23.192 13.796 -10.716 1.00 0.00 H new ATOM 0 HB3 LYS A 108 22.089 15.042 -10.167 1.00 0.00 H new ATOM 0 HG2 LYS A 108 23.655 15.553 -8.257 1.00 0.00 H new ATOM 0 HG3 LYS A 108 24.770 14.348 -8.872 1.00 0.00 H new ATOM 0 HD2 LYS A 108 24.948 15.618 -11.031 1.00 0.00 H new ATOM 0 HD3 LYS A 108 23.838 16.824 -10.412 1.00 0.00 H new ATOM 0 HE2 LYS A 108 25.416 17.310 -8.527 1.00 0.00 H new ATOM 0 HE3 LYS A 108 26.526 16.103 -9.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 27.166 18.318 -9.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 26.739 17.385 -11.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 25.663 18.555 -10.595 1.00 0.00 H new TER 1677 LYS A 108 HETATM 1678 ZN ZN A 109 6.865 -2.611 -8.091 1.00 0.00 ZN