USER MOD reduce.3.24.130724 H: found=0, std=0, add=1085, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1081 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 LYS NZ :NH3+ 157:sc= -0.253 (180deg=-0.498) USER MOD Set 1.2: A 114 MET CE :methyl -134:sc= -2.54! (180deg=-4.63!) USER MOD Set 2.1: A 69 TYR OH : rot 155:sc= 1.02 USER MOD Set 2.2: A 71 TYR OH : rot 15:sc= 1.06 USER MOD Set 2.3: A 104 HIS : no HE2:sc= -3.58! C(o=-1.5!,f=-3.6!) USER MOD Set 3.1: A 5 SER OG : rot 173:sc= -1.59! USER MOD Set 3.2: A 7 HIS : no HE2:sc= 0 X(o=-1.6,f=-1.7) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 60:sc= 1.19 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= -0.0514 K(o=-0.051,f=-1.4) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot -85:sc= 0.361 USER MOD Single : A 43 ASN : amide:sc= -2.59! C(o=-2.6!,f=-7.4!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -141:sc= -3.7! (180deg=-6.52!) USER MOD Single : A 63 GLN : amide:sc= -2.31! K(o=-2.3!,f=0.18) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 GLN : amide:sc= -1.13 K(o=-1.1,f=-4.3!) USER MOD Single : A 78 LYS NZ :NH3+ -107:sc= 0.233 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.231 X(o=-0.23,f=0) USER MOD Single : A 83 THR OG1 : rot 163:sc= 0.306 USER MOD Single : A 88 ASN : amide:sc= -0.131 K(o=-0.13,f=-1.6!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot -27:sc= 0.39 USER MOD Single : A 106 LYS NZ :NH3+ -154:sc= 0.563 (180deg=0.118) USER MOD Single : A 113 SER OG : rot -83:sc= 0.0434 USER MOD Single : A 121 SER OG : rot -150:sc= -0.0756 USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 SER OG : rot 58:sc= 0.374 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 2.093 -0.001 -1.242 1.00 52.33 C ATOM 3 C MET A 1 3.107 -1.140 -1.256 1.00 71.13 C ATOM 4 O MET A 1 4.240 -0.983 -0.799 1.00 53.05 O ATOM 5 CB MET A 1 2.810 1.338 -1.426 1.00 11.22 C ATOM 6 CG MET A 1 1.969 2.386 -2.137 1.00 72.43 C ATOM 7 SD MET A 1 1.748 2.025 -3.890 1.00 51.42 S ATOM 8 CE MET A 1 3.241 2.741 -4.574 1.00 13.43 C ATOM 0 H1 MET A 1 0.645 0.784 -0.014 1.00 0.00 H new ATOM 0 H2 MET A 1 0.820 -0.902 0.095 1.00 0.00 H new ATOM 0 H3 MET A 1 1.976 0.119 0.805 1.00 0.00 H new ATOM 0 HA MET A 1 1.396 -0.148 -2.067 1.00 52.33 H new ATOM 0 HB2 MET A 1 3.103 1.721 -0.448 1.00 11.22 H new ATOM 0 HB3 MET A 1 3.727 1.175 -1.992 1.00 11.22 H new ATOM 0 HG2 MET A 1 0.992 2.450 -1.657 1.00 72.43 H new ATOM 0 HG3 MET A 1 2.442 3.362 -2.028 1.00 72.43 H new ATOM 0 HE1 MET A 1 3.251 2.598 -5.655 1.00 13.43 H new ATOM 0 HE2 MET A 1 3.269 3.807 -4.349 1.00 13.43 H new ATOM 0 HE3 MET A 1 4.112 2.254 -4.135 1.00 13.43 H new ATOM 18 N THR A 2 2.693 -2.288 -1.783 1.00 62.43 N ATOM 19 CA THR A 2 3.565 -3.454 -1.855 1.00 72.33 C ATOM 20 C THR A 2 4.587 -3.308 -2.977 1.00 33.31 C ATOM 21 O THR A 2 4.373 -2.561 -3.933 1.00 34.24 O ATOM 22 CB THR A 2 2.757 -4.747 -2.077 1.00 52.23 C ATOM 23 OG1 THR A 2 1.977 -4.638 -3.273 1.00 53.41 O ATOM 24 CG2 THR A 2 1.843 -5.024 -0.893 1.00 40.12 C ATOM 0 H THR A 2 1.759 -2.435 -2.166 1.00 62.43 H new ATOM 0 HA THR A 2 4.085 -3.519 -0.899 1.00 72.33 H new ATOM 0 HB THR A 2 3.459 -5.575 -2.176 1.00 52.23 H new ATOM 0 HG1 THR A 2 1.468 -5.464 -3.408 1.00 53.41 H new ATOM 0 HG21 THR A 2 1.283 -5.942 -1.073 1.00 40.12 H new ATOM 0 HG22 THR A 2 2.442 -5.136 0.011 1.00 40.12 H new ATOM 0 HG23 THR A 2 1.148 -4.194 -0.768 1.00 40.12 H new ATOM 32 N LEU A 3 5.698 -4.026 -2.856 1.00 32.25 N ATOM 33 CA LEU A 3 6.754 -3.977 -3.861 1.00 20.34 C ATOM 34 C LEU A 3 6.618 -5.130 -4.850 1.00 22.31 C ATOM 35 O LEU A 3 5.957 -6.134 -4.584 1.00 30.21 O ATOM 36 CB LEU A 3 8.127 -4.026 -3.189 1.00 3.14 C ATOM 37 CG LEU A 3 8.215 -4.842 -1.898 1.00 54.42 C ATOM 38 CD1 LEU A 3 9.609 -5.424 -1.728 1.00 2.31 C ATOM 39 CD2 LEU A 3 7.843 -3.983 -0.698 1.00 50.32 C ATOM 0 H LEU A 3 5.891 -4.649 -2.072 1.00 32.25 H new ATOM 0 HA LEU A 3 6.657 -3.039 -4.409 1.00 20.34 H new ATOM 0 HB2 LEU A 3 8.844 -4.433 -3.902 1.00 3.14 H new ATOM 0 HB3 LEU A 3 8.439 -3.005 -2.971 1.00 3.14 H new ATOM 0 HG LEU A 3 7.505 -5.667 -1.963 1.00 54.42 H new ATOM 0 HD11 LEU A 3 9.652 -6.001 -0.804 1.00 2.31 H new ATOM 0 HD12 LEU A 3 9.838 -6.074 -2.573 1.00 2.31 H new ATOM 0 HD13 LEU A 3 10.338 -4.615 -1.685 1.00 2.31 H new ATOM 0 HD21 LEU A 3 7.911 -4.580 0.212 1.00 50.32 H new ATOM 0 HD22 LEU A 3 8.528 -3.138 -0.630 1.00 50.32 H new ATOM 0 HD23 LEU A 3 6.824 -3.616 -0.816 1.00 50.32 H new ATOM 51 N PRO A 4 7.260 -4.986 -6.019 1.00 22.33 N ATOM 52 CA PRO A 4 7.228 -6.007 -7.070 1.00 65.13 C ATOM 53 C PRO A 4 8.007 -7.261 -6.685 1.00 52.52 C ATOM 54 O PRO A 4 7.869 -8.307 -7.318 1.00 61.23 O ATOM 55 CB PRO A 4 7.892 -5.310 -8.261 1.00 71.50 C ATOM 56 CG PRO A 4 8.770 -4.273 -7.652 1.00 3.04 C ATOM 57 CD PRO A 4 8.067 -3.816 -6.403 1.00 61.14 C ATOM 0 HA PRO A 4 6.214 -6.353 -7.271 1.00 65.13 H new ATOM 0 HB2 PRO A 4 8.469 -6.014 -8.861 1.00 71.50 H new ATOM 0 HB3 PRO A 4 7.150 -4.862 -8.922 1.00 71.50 H new ATOM 0 HG2 PRO A 4 9.753 -4.682 -7.419 1.00 3.04 H new ATOM 0 HG3 PRO A 4 8.926 -3.441 -8.339 1.00 3.04 H new ATOM 0 HD2 PRO A 4 8.775 -3.542 -5.621 1.00 61.14 H new ATOM 0 HD3 PRO A 4 7.444 -2.942 -6.590 1.00 61.14 H new ATOM 65 N SER A 5 8.824 -7.147 -5.643 1.00 62.22 N ATOM 66 CA SER A 5 9.627 -8.271 -5.176 1.00 22.12 C ATOM 67 C SER A 5 8.737 -9.425 -4.726 1.00 34.22 C ATOM 68 O SER A 5 9.157 -10.581 -4.716 1.00 22.25 O ATOM 69 CB SER A 5 10.534 -7.833 -4.024 1.00 64.14 C ATOM 70 OG SER A 5 9.937 -8.112 -2.770 1.00 62.30 O ATOM 0 H SER A 5 8.947 -6.288 -5.106 1.00 62.22 H new ATOM 0 HA SER A 5 10.245 -8.614 -6.006 1.00 22.12 H new ATOM 0 HB2 SER A 5 11.493 -8.347 -4.096 1.00 64.14 H new ATOM 0 HB3 SER A 5 10.738 -6.765 -4.104 1.00 64.14 H new ATOM 0 HG SER A 5 10.580 -7.929 -2.054 1.00 62.30 H new ATOM 76 N GLY A 6 7.502 -9.101 -4.354 1.00 33.41 N ATOM 77 CA GLY A 6 6.570 -10.121 -3.908 1.00 1.34 C ATOM 78 C GLY A 6 6.296 -10.044 -2.419 1.00 24.14 C ATOM 79 O GLY A 6 5.241 -10.472 -1.951 1.00 55.02 O ATOM 0 H GLY A 6 7.130 -8.151 -4.353 1.00 33.41 H new ATOM 0 HA2 GLY A 6 5.632 -10.015 -4.453 1.00 1.34 H new ATOM 0 HA3 GLY A 6 6.970 -11.106 -4.150 1.00 1.34 H new ATOM 83 N HIS A 7 7.250 -9.499 -1.670 1.00 44.14 N ATOM 84 CA HIS A 7 7.107 -9.369 -0.225 1.00 3.24 C ATOM 85 C HIS A 7 6.372 -8.081 0.135 1.00 70.22 C ATOM 86 O HIS A 7 6.412 -7.090 -0.595 1.00 24.24 O ATOM 87 CB HIS A 7 8.480 -9.391 0.449 1.00 73.21 C ATOM 88 CG HIS A 7 9.385 -10.465 -0.072 1.00 0.23 C ATOM 89 ND1 HIS A 7 9.092 -11.809 0.025 1.00 53.34 N ATOM 90 CD2 HIS A 7 10.582 -10.386 -0.698 1.00 63.51 C ATOM 91 CE1 HIS A 7 10.070 -12.511 -0.518 1.00 43.44 C ATOM 92 NE2 HIS A 7 10.987 -11.671 -0.965 1.00 21.20 N ATOM 0 H HIS A 7 8.130 -9.141 -2.041 1.00 44.14 H new ATOM 0 HA HIS A 7 6.520 -10.214 0.134 1.00 3.24 H new ATOM 0 HB2 HIS A 7 8.960 -8.423 0.309 1.00 73.21 H new ATOM 0 HB3 HIS A 7 8.347 -9.528 1.522 1.00 73.21 H new ATOM 0 HD1 HIS A 7 8.251 -12.200 0.450 1.00 53.34 H new ATOM 0 HD2 HIS A 7 11.119 -9.481 -0.942 1.00 63.51 H new ATOM 0 HE1 HIS A 7 10.113 -13.588 -0.585 1.00 43.44 H new ATOM 100 N PRO A 8 5.683 -8.094 1.285 1.00 33.24 N ATOM 101 CA PRO A 8 4.925 -6.936 1.767 1.00 0.54 C ATOM 102 C PRO A 8 5.832 -5.793 2.210 1.00 5.11 C ATOM 103 O PRO A 8 6.773 -5.995 2.978 1.00 64.11 O ATOM 104 CB PRO A 8 4.146 -7.493 2.961 1.00 12.12 C ATOM 105 CG PRO A 8 4.954 -8.652 3.433 1.00 0.13 C ATOM 106 CD PRO A 8 5.590 -9.241 2.205 1.00 44.23 C ATOM 0 HA PRO A 8 4.292 -6.511 0.988 1.00 0.54 H new ATOM 0 HB2 PRO A 8 4.033 -6.744 3.745 1.00 12.12 H new ATOM 0 HB3 PRO A 8 3.142 -7.803 2.669 1.00 12.12 H new ATOM 0 HG2 PRO A 8 5.711 -8.334 4.150 1.00 0.13 H new ATOM 0 HG3 PRO A 8 4.326 -9.386 3.937 1.00 0.13 H new ATOM 0 HD2 PRO A 8 6.572 -9.662 2.423 1.00 44.23 H new ATOM 0 HD3 PRO A 8 4.985 -10.045 1.785 1.00 44.23 H new ATOM 114 N LYS A 9 5.544 -4.591 1.722 1.00 61.33 N ATOM 115 CA LYS A 9 6.333 -3.415 2.068 1.00 53.31 C ATOM 116 C LYS A 9 6.238 -3.116 3.561 1.00 70.32 C ATOM 117 O LYS A 9 7.127 -2.488 4.136 1.00 62.55 O ATOM 118 CB LYS A 9 5.858 -2.202 1.264 1.00 70.44 C ATOM 119 CG LYS A 9 6.851 -1.053 1.253 1.00 53.11 C ATOM 120 CD LYS A 9 6.161 0.277 1.001 1.00 51.33 C ATOM 121 CE LYS A 9 6.983 1.441 1.533 1.00 50.12 C ATOM 122 NZ LYS A 9 8.001 1.898 0.546 1.00 31.05 N ATOM 0 H LYS A 9 4.769 -4.406 1.085 1.00 61.33 H new ATOM 0 HA LYS A 9 7.374 -3.622 1.822 1.00 53.31 H new ATOM 0 HB2 LYS A 9 5.662 -2.511 0.237 1.00 70.44 H new ATOM 0 HB3 LYS A 9 4.913 -1.850 1.677 1.00 70.44 H new ATOM 0 HG2 LYS A 9 7.377 -1.016 2.207 1.00 53.11 H new ATOM 0 HG3 LYS A 9 7.601 -1.227 0.482 1.00 53.11 H new ATOM 0 HD2 LYS A 9 5.996 0.406 -0.069 1.00 51.33 H new ATOM 0 HD3 LYS A 9 5.180 0.275 1.477 1.00 51.33 H new ATOM 0 HE2 LYS A 9 6.320 2.270 1.782 1.00 50.12 H new ATOM 0 HE3 LYS A 9 7.480 1.143 2.456 1.00 50.12 H new ATOM 0 HZ1 LYS A 9 8.540 2.692 0.946 1.00 31.05 H new ATOM 0 HZ2 LYS A 9 8.649 1.114 0.328 1.00 31.05 H new ATOM 0 HZ3 LYS A 9 7.525 2.207 -0.326 1.00 31.05 H new ATOM 136 N SER A 10 5.155 -3.572 4.183 1.00 3.42 N ATOM 137 CA SER A 10 4.944 -3.351 5.609 1.00 31.11 C ATOM 138 C SER A 10 5.946 -4.151 6.437 1.00 54.52 C ATOM 139 O SER A 10 6.453 -3.670 7.451 1.00 70.54 O ATOM 140 CB SER A 10 3.517 -3.739 6.001 1.00 73.25 C ATOM 141 OG SER A 10 3.255 -5.097 5.692 1.00 31.44 O ATOM 0 H SER A 10 4.411 -4.096 3.722 1.00 3.42 H new ATOM 0 HA SER A 10 5.094 -2.291 5.813 1.00 31.11 H new ATOM 0 HB2 SER A 10 3.371 -3.571 7.068 1.00 73.25 H new ATOM 0 HB3 SER A 10 2.806 -3.100 5.477 1.00 73.25 H new ATOM 0 HG SER A 10 2.337 -5.321 5.954 1.00 31.44 H new ATOM 147 N ARG A 11 6.225 -5.373 5.997 1.00 43.03 N ATOM 148 CA ARG A 11 7.165 -6.241 6.697 1.00 50.54 C ATOM 149 C ARG A 11 8.605 -5.843 6.387 1.00 25.43 C ATOM 150 O ARG A 11 9.454 -5.801 7.279 1.00 63.00 O ATOM 151 CB ARG A 11 6.932 -7.701 6.305 1.00 21.04 C ATOM 152 CG ARG A 11 7.446 -8.696 7.333 1.00 63.11 C ATOM 153 CD ARG A 11 6.352 -9.110 8.304 1.00 13.42 C ATOM 154 NE ARG A 11 6.617 -10.414 8.905 1.00 70.13 N ATOM 155 CZ ARG A 11 5.836 -10.973 9.823 1.00 61.15 C ATOM 156 NH1 ARG A 11 4.747 -10.345 10.243 1.00 51.23 N ATOM 157 NH2 ARG A 11 6.144 -12.163 10.322 1.00 61.44 N ATOM 0 H ARG A 11 5.814 -5.785 5.159 1.00 43.03 H new ATOM 0 HA ARG A 11 6.997 -6.129 7.768 1.00 50.54 H new ATOM 0 HB2 ARG A 11 5.864 -7.863 6.157 1.00 21.04 H new ATOM 0 HB3 ARG A 11 7.419 -7.894 5.349 1.00 21.04 H new ATOM 0 HG2 ARG A 11 7.835 -9.578 6.824 1.00 63.11 H new ATOM 0 HG3 ARG A 11 8.276 -8.254 7.885 1.00 63.11 H new ATOM 0 HD2 ARG A 11 6.263 -8.360 9.090 1.00 13.42 H new ATOM 0 HD3 ARG A 11 5.396 -9.140 7.781 1.00 13.42 H new ATOM 0 HE ARG A 11 7.447 -10.924 8.603 1.00 70.13 H new ATOM 0 HH11 ARG A 11 4.507 -9.430 9.861 1.00 51.23 H new ATOM 0 HH12 ARG A 11 4.149 -10.777 10.948 1.00 51.23 H new ATOM 0 HH21 ARG A 11 6.981 -12.650 10.001 1.00 61.44 H new ATOM 0 HH22 ARG A 11 5.544 -12.591 11.027 1.00 61.44 H new ATOM 171 N LEU A 12 8.874 -5.554 5.119 1.00 4.21 N ATOM 172 CA LEU A 12 10.212 -5.160 4.691 1.00 24.32 C ATOM 173 C LEU A 12 10.682 -3.920 5.444 1.00 1.23 C ATOM 174 O LEU A 12 11.790 -3.890 5.981 1.00 41.24 O ATOM 175 CB LEU A 12 10.230 -4.894 3.185 1.00 11.31 C ATOM 176 CG LEU A 12 10.685 -6.057 2.303 1.00 42.42 C ATOM 177 CD1 LEU A 12 12.111 -6.460 2.645 1.00 30.13 C ATOM 178 CD2 LEU A 12 9.743 -7.242 2.454 1.00 13.21 C ATOM 0 H LEU A 12 8.184 -5.585 4.369 1.00 4.21 H new ATOM 0 HA LEU A 12 10.894 -5.979 4.917 1.00 24.32 H new ATOM 0 HB2 LEU A 12 9.227 -4.601 2.876 1.00 11.31 H new ATOM 0 HB3 LEU A 12 10.883 -4.043 2.995 1.00 11.31 H new ATOM 0 HG LEU A 12 10.661 -5.730 1.263 1.00 42.42 H new ATOM 0 HD11 LEU A 12 12.418 -7.289 2.007 1.00 30.13 H new ATOM 0 HD12 LEU A 12 12.777 -5.612 2.484 1.00 30.13 H new ATOM 0 HD13 LEU A 12 12.162 -6.768 3.689 1.00 30.13 H new ATOM 0 HD21 LEU A 12 10.083 -8.060 1.819 1.00 13.21 H new ATOM 0 HD22 LEU A 12 9.734 -7.569 3.494 1.00 13.21 H new ATOM 0 HD23 LEU A 12 8.736 -6.947 2.158 1.00 13.21 H new ATOM 190 N ILE A 13 9.832 -2.900 5.482 1.00 53.53 N ATOM 191 CA ILE A 13 10.159 -1.658 6.172 1.00 32.11 C ATOM 192 C ILE A 13 10.369 -1.897 7.663 1.00 35.24 C ATOM 193 O ILE A 13 11.304 -1.368 8.263 1.00 5.21 O ATOM 194 CB ILE A 13 9.055 -0.601 5.983 1.00 35.23 C ATOM 195 CG1 ILE A 13 8.976 -0.171 4.517 1.00 15.32 C ATOM 196 CG2 ILE A 13 9.312 0.600 6.881 1.00 42.04 C ATOM 197 CD1 ILE A 13 10.186 0.607 4.050 1.00 61.54 C ATOM 0 H ILE A 13 8.911 -2.909 5.043 1.00 53.53 H new ATOM 0 HA ILE A 13 11.085 -1.287 5.732 1.00 32.11 H new ATOM 0 HB ILE A 13 8.098 -1.041 6.264 1.00 35.23 H new ATOM 0 HG12 ILE A 13 8.860 -1.057 3.893 1.00 15.32 H new ATOM 0 HG13 ILE A 13 8.084 0.439 4.373 1.00 15.32 H new ATOM 0 HG21 ILE A 13 8.523 1.338 6.736 1.00 42.04 H new ATOM 0 HG22 ILE A 13 9.322 0.280 7.923 1.00 42.04 H new ATOM 0 HG23 ILE A 13 10.275 1.044 6.628 1.00 42.04 H new ATOM 0 HD11 ILE A 13 10.061 0.879 3.002 1.00 61.54 H new ATOM 0 HD12 ILE A 13 10.291 1.511 4.650 1.00 61.54 H new ATOM 0 HD13 ILE A 13 11.079 -0.008 4.162 1.00 61.54 H new ATOM 209 N LYS A 14 9.492 -2.700 8.257 1.00 11.13 N ATOM 210 CA LYS A 14 9.581 -3.013 9.678 1.00 22.35 C ATOM 211 C LYS A 14 10.848 -3.807 9.982 1.00 0.31 C ATOM 212 O LYS A 14 11.489 -3.603 11.014 1.00 54.14 O ATOM 213 CB LYS A 14 8.351 -3.806 10.125 1.00 32.03 C ATOM 214 CG LYS A 14 7.083 -2.972 10.197 1.00 61.41 C ATOM 215 CD LYS A 14 6.969 -2.244 11.525 1.00 4.53 C ATOM 216 CE LYS A 14 5.940 -1.126 11.461 1.00 11.34 C ATOM 217 NZ LYS A 14 5.620 -0.588 12.813 1.00 70.32 N ATOM 0 H LYS A 14 8.711 -3.146 7.775 1.00 11.13 H new ATOM 0 HA LYS A 14 9.620 -2.073 10.229 1.00 22.35 H new ATOM 0 HB2 LYS A 14 8.192 -4.634 9.434 1.00 32.03 H new ATOM 0 HB3 LYS A 14 8.546 -4.241 11.105 1.00 32.03 H new ATOM 0 HG2 LYS A 14 7.076 -2.248 9.382 1.00 61.41 H new ATOM 0 HG3 LYS A 14 6.215 -3.616 10.058 1.00 61.41 H new ATOM 0 HD2 LYS A 14 6.691 -2.951 12.306 1.00 4.53 H new ATOM 0 HD3 LYS A 14 7.940 -1.831 11.799 1.00 4.53 H new ATOM 0 HE2 LYS A 14 6.317 -0.321 10.830 1.00 11.34 H new ATOM 0 HE3 LYS A 14 5.028 -1.498 10.993 1.00 11.34 H new ATOM 0 HZ1 LYS A 14 4.915 0.172 12.726 1.00 70.32 H new ATOM 0 HZ2 LYS A 14 5.236 -1.350 13.408 1.00 70.32 H new ATOM 0 HZ3 LYS A 14 6.485 -0.210 13.250 1.00 70.32 H new ATOM 231 N LYS A 15 11.205 -4.711 9.077 1.00 63.22 N ATOM 232 CA LYS A 15 12.397 -5.534 9.246 1.00 43.14 C ATOM 233 C LYS A 15 13.663 -4.703 9.059 1.00 72.14 C ATOM 234 O LYS A 15 14.583 -4.762 9.875 1.00 75.41 O ATOM 235 CB LYS A 15 12.385 -6.696 8.250 1.00 44.34 C ATOM 236 CG LYS A 15 11.645 -7.922 8.754 1.00 20.14 C ATOM 237 CD LYS A 15 12.153 -9.192 8.092 1.00 10.03 C ATOM 238 CE LYS A 15 11.146 -9.741 7.093 1.00 12.14 C ATOM 239 NZ LYS A 15 10.691 -8.697 6.134 1.00 51.02 N ATOM 0 H LYS A 15 10.686 -4.893 8.218 1.00 63.22 H new ATOM 0 HA LYS A 15 12.392 -5.933 10.260 1.00 43.14 H new ATOM 0 HB2 LYS A 15 11.925 -6.361 7.320 1.00 44.34 H new ATOM 0 HB3 LYS A 15 13.413 -6.973 8.016 1.00 44.34 H new ATOM 0 HG2 LYS A 15 11.764 -8.001 9.835 1.00 20.14 H new ATOM 0 HG3 LYS A 15 10.579 -7.810 8.558 1.00 20.14 H new ATOM 0 HD2 LYS A 15 13.096 -8.987 7.585 1.00 10.03 H new ATOM 0 HD3 LYS A 15 12.358 -9.944 8.854 1.00 10.03 H new ATOM 0 HE2 LYS A 15 11.594 -10.569 6.543 1.00 12.14 H new ATOM 0 HE3 LYS A 15 10.285 -10.143 7.628 1.00 12.14 H new ATOM 0 HZ1 LYS A 15 10.338 -9.152 5.268 1.00 51.02 H new ATOM 0 HZ2 LYS A 15 9.929 -8.137 6.566 1.00 51.02 H new ATOM 0 HZ3 LYS A 15 11.488 -8.072 5.897 1.00 51.02 H new ATOM 253 N PHE A 16 13.702 -3.928 7.980 1.00 63.12 N ATOM 254 CA PHE A 16 14.855 -3.085 7.686 1.00 0.43 C ATOM 255 C PHE A 16 15.110 -2.098 8.822 1.00 24.11 C ATOM 256 O PHE A 16 16.225 -1.603 8.992 1.00 62.11 O ATOM 257 CB PHE A 16 14.638 -2.326 6.376 1.00 52.44 C ATOM 258 CG PHE A 16 14.798 -3.183 5.153 1.00 41.12 C ATOM 259 CD1 PHE A 16 15.880 -4.039 5.028 1.00 45.23 C ATOM 260 CD2 PHE A 16 13.866 -3.133 4.129 1.00 61.33 C ATOM 261 CE1 PHE A 16 16.031 -4.828 3.903 1.00 34.11 C ATOM 262 CE2 PHE A 16 14.011 -3.921 3.002 1.00 52.41 C ATOM 263 CZ PHE A 16 15.094 -4.770 2.890 1.00 41.14 C ATOM 0 H PHE A 16 12.949 -3.866 7.295 1.00 63.12 H new ATOM 0 HA PHE A 16 15.728 -3.729 7.584 1.00 0.43 H new ATOM 0 HB2 PHE A 16 13.638 -1.893 6.378 1.00 52.44 H new ATOM 0 HB3 PHE A 16 15.344 -1.497 6.324 1.00 52.44 H new ATOM 0 HD1 PHE A 16 16.614 -4.091 5.819 1.00 45.23 H new ATOM 0 HD2 PHE A 16 13.017 -2.471 4.212 1.00 61.33 H new ATOM 0 HE1 PHE A 16 16.881 -5.489 3.816 1.00 34.11 H new ATOM 0 HE2 PHE A 16 13.278 -3.872 2.210 1.00 52.41 H new ATOM 0 HZ PHE A 16 15.208 -5.388 2.012 1.00 41.14 H new ATOM 273 N THR A 17 14.069 -1.816 9.598 1.00 14.32 N ATOM 274 CA THR A 17 14.178 -0.888 10.717 1.00 51.34 C ATOM 275 C THR A 17 15.092 -1.442 11.804 1.00 54.14 C ATOM 276 O THR A 17 15.630 -0.692 12.617 1.00 11.22 O ATOM 277 CB THR A 17 12.798 -0.581 11.329 1.00 42.42 C ATOM 278 OG1 THR A 17 11.951 0.027 10.347 1.00 32.52 O ATOM 279 CG2 THR A 17 12.933 0.342 12.531 1.00 52.34 C ATOM 0 H THR A 17 13.140 -2.217 9.472 1.00 14.32 H new ATOM 0 HA THR A 17 14.605 0.034 10.322 1.00 51.34 H new ATOM 0 HB THR A 17 12.354 -1.520 11.660 1.00 42.42 H new ATOM 0 HG1 THR A 17 11.841 -0.583 9.588 1.00 32.52 H new ATOM 0 HG21 THR A 17 11.946 0.545 12.947 1.00 52.34 H new ATOM 0 HG22 THR A 17 13.555 -0.136 13.288 1.00 52.34 H new ATOM 0 HG23 THR A 17 13.395 1.279 12.220 1.00 52.34 H new ATOM 287 N ALA A 18 15.263 -2.760 11.811 1.00 11.20 N ATOM 288 CA ALA A 18 16.114 -3.414 12.797 1.00 62.01 C ATOM 289 C ALA A 18 17.586 -3.300 12.413 1.00 33.34 C ATOM 290 O ALA A 18 18.470 -3.674 13.185 1.00 32.32 O ATOM 291 CB ALA A 18 15.718 -4.875 12.950 1.00 61.12 C ATOM 0 H ALA A 18 14.824 -3.395 11.145 1.00 11.20 H new ATOM 0 HA ALA A 18 15.975 -2.909 13.753 1.00 62.01 H new ATOM 0 HB1 ALA A 18 16.362 -5.351 13.690 1.00 61.12 H new ATOM 0 HB2 ALA A 18 14.680 -4.938 13.278 1.00 61.12 H new ATOM 0 HB3 ALA A 18 15.828 -5.384 11.992 1.00 61.12 H new ATOM 297 N LEU A 19 17.842 -2.783 11.217 1.00 1.20 N ATOM 298 CA LEU A 19 19.208 -2.620 10.730 1.00 33.44 C ATOM 299 C LEU A 19 19.661 -1.169 10.853 1.00 15.02 C ATOM 300 O LEU A 19 20.757 -0.812 10.425 1.00 41.31 O ATOM 301 CB LEU A 19 19.309 -3.076 9.274 1.00 73.52 C ATOM 302 CG LEU A 19 18.812 -4.492 8.978 1.00 52.03 C ATOM 303 CD1 LEU A 19 19.093 -4.864 7.530 1.00 34.43 C ATOM 304 CD2 LEU A 19 19.459 -5.493 9.923 1.00 25.22 C ATOM 0 H LEU A 19 17.122 -2.469 10.566 1.00 1.20 H new ATOM 0 HA LEU A 19 19.862 -3.239 11.344 1.00 33.44 H new ATOM 0 HB2 LEU A 19 18.745 -2.378 8.656 1.00 73.52 H new ATOM 0 HB3 LEU A 19 20.352 -3.006 8.964 1.00 73.52 H new ATOM 0 HG LEU A 19 17.734 -4.519 9.136 1.00 52.03 H new ATOM 0 HD11 LEU A 19 18.733 -5.875 7.337 1.00 34.43 H new ATOM 0 HD12 LEU A 19 18.582 -4.164 6.869 1.00 34.43 H new ATOM 0 HD13 LEU A 19 20.166 -4.820 7.345 1.00 34.43 H new ATOM 0 HD21 LEU A 19 19.094 -6.495 9.698 1.00 25.22 H new ATOM 0 HD22 LEU A 19 20.541 -5.465 9.797 1.00 25.22 H new ATOM 0 HD23 LEU A 19 19.206 -5.238 10.952 1.00 25.22 H new ATOM 316 N GLY A 20 18.808 -0.336 11.444 1.00 64.34 N ATOM 317 CA GLY A 20 19.140 1.066 11.614 1.00 13.24 C ATOM 318 C GLY A 20 17.945 1.897 12.039 1.00 73.32 C ATOM 319 O GLY A 20 17.031 1.413 12.708 1.00 64.22 O ATOM 0 H GLY A 20 17.894 -0.608 11.807 1.00 64.34 H new ATOM 0 HA2 GLY A 20 19.929 1.162 12.360 1.00 13.24 H new ATOM 0 HA3 GLY A 20 19.537 1.458 10.678 1.00 13.24 H new ATOM 323 N PRO A 21 17.942 3.180 11.647 1.00 33.42 N ATOM 324 CA PRO A 21 16.856 4.107 11.981 1.00 23.41 C ATOM 325 C PRO A 21 15.564 3.776 11.243 1.00 51.15 C ATOM 326 O PRO A 21 15.556 2.961 10.320 1.00 71.12 O ATOM 327 CB PRO A 21 17.398 5.465 11.529 1.00 63.11 C ATOM 328 CG PRO A 21 18.386 5.142 10.462 1.00 42.34 C ATOM 329 CD PRO A 21 18.997 3.824 10.848 1.00 64.21 C ATOM 0 HA PRO A 21 16.596 4.067 13.039 1.00 23.41 H new ATOM 0 HB2 PRO A 21 16.600 6.103 11.150 1.00 63.11 H new ATOM 0 HB3 PRO A 21 17.868 5.999 12.355 1.00 63.11 H new ATOM 0 HG2 PRO A 21 17.901 5.077 9.488 1.00 42.34 H new ATOM 0 HG3 PRO A 21 19.148 5.918 10.388 1.00 42.34 H new ATOM 0 HD2 PRO A 21 19.257 3.230 9.972 1.00 64.21 H new ATOM 0 HD3 PRO A 21 19.912 3.959 11.425 1.00 64.21 H new ATOM 337 N TYR A 22 14.474 4.414 11.654 1.00 75.34 N ATOM 338 CA TYR A 22 13.175 4.186 11.032 1.00 74.42 C ATOM 339 C TYR A 22 13.197 4.586 9.560 1.00 65.13 C ATOM 340 O TYR A 22 13.494 5.732 9.221 1.00 12.34 O ATOM 341 CB TYR A 22 12.088 4.971 11.768 1.00 21.25 C ATOM 342 CG TYR A 22 11.860 4.502 13.188 1.00 54.51 C ATOM 343 CD1 TYR A 22 10.954 3.487 13.468 1.00 14.32 C ATOM 344 CD2 TYR A 22 12.551 5.075 14.249 1.00 70.23 C ATOM 345 CE1 TYR A 22 10.741 3.057 14.764 1.00 62.04 C ATOM 346 CE2 TYR A 22 12.346 4.650 15.547 1.00 21.21 C ATOM 347 CZ TYR A 22 11.440 3.641 15.799 1.00 10.15 C ATOM 348 OH TYR A 22 11.232 3.214 17.091 1.00 3.21 O ATOM 0 H TYR A 22 14.464 5.093 12.415 1.00 75.34 H new ATOM 0 HA TYR A 22 12.953 3.121 11.097 1.00 74.42 H new ATOM 0 HB2 TYR A 22 12.360 6.026 11.782 1.00 21.25 H new ATOM 0 HB3 TYR A 22 11.154 4.890 11.213 1.00 21.25 H new ATOM 0 HD1 TYR A 22 10.407 3.026 12.659 1.00 14.32 H new ATOM 0 HD2 TYR A 22 13.260 5.866 14.055 1.00 70.23 H new ATOM 0 HE1 TYR A 22 10.031 2.268 14.965 1.00 62.04 H new ATOM 0 HE2 TYR A 22 12.892 5.105 16.360 1.00 21.21 H new ATOM 0 HH TYR A 22 11.803 3.726 17.701 1.00 3.21 H new ATOM 358 N ILE A 23 12.882 3.633 8.689 1.00 31.14 N ATOM 359 CA ILE A 23 12.864 3.885 7.254 1.00 42.41 C ATOM 360 C ILE A 23 11.649 4.716 6.857 1.00 75.12 C ATOM 361 O ILE A 23 10.555 4.529 7.390 1.00 30.34 O ATOM 362 CB ILE A 23 12.858 2.571 6.451 1.00 3.11 C ATOM 363 CG1 ILE A 23 14.149 1.788 6.703 1.00 15.24 C ATOM 364 CG2 ILE A 23 12.688 2.858 4.967 1.00 70.22 C ATOM 365 CD1 ILE A 23 14.111 0.950 7.962 1.00 14.32 C ATOM 0 H ILE A 23 12.636 2.679 8.953 1.00 31.14 H new ATOM 0 HA ILE A 23 13.773 4.440 7.020 1.00 42.41 H new ATOM 0 HB ILE A 23 12.016 1.964 6.783 1.00 3.11 H new ATOM 0 HG12 ILE A 23 14.343 1.138 5.849 1.00 15.24 H new ATOM 0 HG13 ILE A 23 14.982 2.488 6.767 1.00 15.24 H new ATOM 0 HG21 ILE A 23 12.686 1.919 4.413 1.00 70.22 H new ATOM 0 HG22 ILE A 23 11.745 3.379 4.803 1.00 70.22 H new ATOM 0 HG23 ILE A 23 13.512 3.482 4.620 1.00 70.22 H new ATOM 0 HD11 ILE A 23 15.058 0.423 8.077 1.00 14.32 H new ATOM 0 HD12 ILE A 23 13.948 1.596 8.824 1.00 14.32 H new ATOM 0 HD13 ILE A 23 13.299 0.226 7.893 1.00 14.32 H new ATOM 377 N ARG A 24 11.847 5.633 5.916 1.00 61.14 N ATOM 378 CA ARG A 24 10.767 6.492 5.446 1.00 51.10 C ATOM 379 C ARG A 24 9.937 5.787 4.377 1.00 10.01 C ATOM 380 O ARG A 24 10.266 5.834 3.192 1.00 34.33 O ATOM 381 CB ARG A 24 11.332 7.799 4.888 1.00 44.42 C ATOM 382 CG ARG A 24 11.540 8.873 5.943 1.00 10.04 C ATOM 383 CD ARG A 24 10.251 9.627 6.232 1.00 22.22 C ATOM 384 NE ARG A 24 10.451 10.703 7.199 1.00 25.22 N ATOM 385 CZ ARG A 24 9.484 11.519 7.602 1.00 75.32 C ATOM 386 NH1 ARG A 24 8.255 11.381 7.124 1.00 54.34 N ATOM 387 NH2 ARG A 24 9.744 12.474 8.485 1.00 50.11 N ATOM 0 H ARG A 24 12.746 5.800 5.464 1.00 61.14 H new ATOM 0 HA ARG A 24 10.120 6.716 6.294 1.00 51.10 H new ATOM 0 HB2 ARG A 24 12.284 7.594 4.398 1.00 44.42 H new ATOM 0 HB3 ARG A 24 10.656 8.180 4.123 1.00 44.42 H new ATOM 0 HG2 ARG A 24 11.909 8.416 6.861 1.00 10.04 H new ATOM 0 HG3 ARG A 24 12.304 9.573 5.606 1.00 10.04 H new ATOM 0 HD2 ARG A 24 9.858 10.042 5.304 1.00 22.22 H new ATOM 0 HD3 ARG A 24 9.502 8.932 6.613 1.00 22.22 H new ATOM 0 HE ARG A 24 11.385 10.835 7.586 1.00 25.22 H new ATOM 0 HH11 ARG A 24 8.051 10.647 6.446 1.00 54.34 H new ATOM 0 HH12 ARG A 24 7.513 12.009 7.435 1.00 54.34 H new ATOM 0 HH21 ARG A 24 10.688 12.583 8.856 1.00 50.11 H new ATOM 0 HH22 ARG A 24 9.000 13.100 8.793 1.00 50.11 H new ATOM 401 N GLU A 25 8.861 5.134 4.806 1.00 51.45 N ATOM 402 CA GLU A 25 7.985 4.419 3.885 1.00 65.22 C ATOM 403 C GLU A 25 6.770 5.266 3.520 1.00 0.31 C ATOM 404 O GLU A 25 6.036 5.727 4.393 1.00 3.14 O ATOM 405 CB GLU A 25 7.531 3.095 4.503 1.00 11.02 C ATOM 406 CG GLU A 25 6.946 3.244 5.898 1.00 72.35 C ATOM 407 CD GLU A 25 5.562 2.634 6.018 1.00 45.53 C ATOM 408 OE1 GLU A 25 5.323 1.578 5.396 1.00 15.42 O ATOM 409 OE2 GLU A 25 4.720 3.215 6.734 1.00 33.52 O ATOM 0 H GLU A 25 8.575 5.085 5.784 1.00 51.45 H new ATOM 0 HA GLU A 25 8.548 4.213 2.975 1.00 65.22 H new ATOM 0 HB2 GLU A 25 6.786 2.637 3.853 1.00 11.02 H new ATOM 0 HB3 GLU A 25 8.380 2.413 4.545 1.00 11.02 H new ATOM 0 HG2 GLU A 25 7.612 2.770 6.620 1.00 72.35 H new ATOM 0 HG3 GLU A 25 6.897 4.302 6.156 1.00 72.35 H new ATOM 416 N GLY A 26 6.564 5.468 2.222 1.00 63.21 N ATOM 417 CA GLY A 26 5.438 6.260 1.764 1.00 71.24 C ATOM 418 C GLY A 26 5.130 6.036 0.296 1.00 23.44 C ATOM 419 O GLY A 26 5.416 4.969 -0.248 1.00 12.34 O ATOM 0 H GLY A 26 7.157 5.097 1.480 1.00 63.21 H new ATOM 0 HA2 GLY A 26 4.558 6.013 2.358 1.00 71.24 H new ATOM 0 HA3 GLY A 26 5.649 7.316 1.931 1.00 71.24 H new ATOM 423 N GLN A 27 4.545 7.042 -0.345 1.00 2.34 N ATOM 424 CA GLN A 27 4.197 6.948 -1.757 1.00 54.23 C ATOM 425 C GLN A 27 5.366 7.379 -2.636 1.00 60.14 C ATOM 426 O GLN A 27 6.101 8.307 -2.297 1.00 41.24 O ATOM 427 CB GLN A 27 2.970 7.811 -2.060 1.00 45.13 C ATOM 428 CG GLN A 27 3.250 9.304 -2.012 1.00 5.52 C ATOM 429 CD GLN A 27 2.007 10.122 -1.724 1.00 10.41 C ATOM 430 OE1 GLN A 27 0.900 9.587 -1.655 1.00 41.32 O ATOM 431 NE2 GLN A 27 2.183 11.427 -1.553 1.00 52.53 N ATOM 0 H GLN A 27 4.302 7.931 0.091 1.00 2.34 H new ATOM 0 HA GLN A 27 3.964 5.907 -1.979 1.00 54.23 H new ATOM 0 HB2 GLN A 27 2.589 7.553 -3.048 1.00 45.13 H new ATOM 0 HB3 GLN A 27 2.183 7.574 -1.344 1.00 45.13 H new ATOM 0 HG2 GLN A 27 3.998 9.505 -1.245 1.00 5.52 H new ATOM 0 HG3 GLN A 27 3.676 9.621 -2.964 1.00 5.52 H new ATOM 0 HE21 GLN A 27 3.118 11.828 -1.619 1.00 52.53 H new ATOM 0 HE22 GLN A 27 1.383 12.028 -1.356 1.00 52.53 H new ATOM 440 N CYS A 28 5.533 6.699 -3.765 1.00 55.24 N ATOM 441 CA CYS A 28 6.614 7.011 -4.693 1.00 60.02 C ATOM 442 C CYS A 28 6.492 6.183 -5.968 1.00 64.31 C ATOM 443 O CYS A 28 6.173 4.995 -5.920 1.00 3.34 O ATOM 444 CB CYS A 28 7.970 6.757 -4.033 1.00 33.43 C ATOM 445 SG CYS A 28 9.354 7.593 -4.842 1.00 34.02 S ATOM 0 H CYS A 28 4.934 5.928 -4.060 1.00 55.24 H new ATOM 0 HA CYS A 28 6.539 8.066 -4.958 1.00 60.02 H new ATOM 0 HB2 CYS A 28 7.922 7.080 -2.993 1.00 33.43 H new ATOM 0 HB3 CYS A 28 8.162 5.684 -4.025 1.00 33.43 H new ATOM 0 HG CYS A 28 10.456 7.319 -4.210 1.00 34.02 H new ATOM 451 N GLU A 29 6.747 6.819 -7.107 1.00 64.54 N ATOM 452 CA GLU A 29 6.664 6.140 -8.395 1.00 74.04 C ATOM 453 C GLU A 29 7.713 5.037 -8.499 1.00 21.05 C ATOM 454 O GLU A 29 7.444 3.957 -9.025 1.00 44.00 O ATOM 455 CB GLU A 29 6.847 7.142 -9.537 1.00 73.34 C ATOM 456 CG GLU A 29 8.132 7.946 -9.441 1.00 40.40 C ATOM 457 CD GLU A 29 8.275 8.954 -10.565 1.00 62.02 C ATOM 458 OE1 GLU A 29 7.453 9.891 -10.631 1.00 54.10 O ATOM 459 OE2 GLU A 29 9.211 8.805 -11.379 1.00 73.10 O ATOM 0 H GLU A 29 7.012 7.802 -7.164 1.00 64.54 H new ATOM 0 HA GLU A 29 5.676 5.686 -8.474 1.00 74.04 H new ATOM 0 HB2 GLU A 29 6.834 6.605 -10.486 1.00 73.34 H new ATOM 0 HB3 GLU A 29 5.999 7.827 -9.547 1.00 73.34 H new ATOM 0 HG2 GLU A 29 8.159 8.468 -8.484 1.00 40.40 H new ATOM 0 HG3 GLU A 29 8.984 7.266 -9.457 1.00 40.40 H new ATOM 466 N ASP A 30 8.909 5.317 -7.993 1.00 0.52 N ATOM 467 CA ASP A 30 10.000 4.350 -8.027 1.00 34.01 C ATOM 468 C ASP A 30 9.924 3.404 -6.833 1.00 21.42 C ATOM 469 O ASP A 30 9.510 3.796 -5.743 1.00 33.20 O ATOM 470 CB ASP A 30 11.349 5.070 -8.038 1.00 12.40 C ATOM 471 CG ASP A 30 11.849 5.340 -9.443 1.00 44.42 C ATOM 472 OD1 ASP A 30 11.925 4.382 -10.241 1.00 3.12 O ATOM 473 OD2 ASP A 30 12.165 6.510 -9.746 1.00 14.12 O ATOM 0 H ASP A 30 9.148 6.206 -7.554 1.00 0.52 H new ATOM 0 HA ASP A 30 9.904 3.763 -8.940 1.00 34.01 H new ATOM 0 HB2 ASP A 30 11.258 6.014 -7.500 1.00 12.40 H new ATOM 0 HB3 ASP A 30 12.084 4.468 -7.503 1.00 12.40 H new ATOM 478 N ASN A 31 10.327 2.155 -7.047 1.00 53.22 N ATOM 479 CA ASN A 31 10.303 1.152 -5.989 1.00 0.11 C ATOM 480 C ASN A 31 11.712 0.868 -5.477 1.00 71.33 C ATOM 481 O ASN A 31 12.327 -0.134 -5.845 1.00 55.43 O ATOM 482 CB ASN A 31 9.662 -0.141 -6.497 1.00 42.14 C ATOM 483 CG ASN A 31 8.390 0.114 -7.283 1.00 2.24 C ATOM 484 OD1 ASN A 31 8.423 0.278 -8.502 1.00 52.33 O ATOM 485 ND2 ASN A 31 7.261 0.149 -6.584 1.00 61.25 N ATOM 0 H ASN A 31 10.674 1.814 -7.944 1.00 53.22 H new ATOM 0 HA ASN A 31 9.708 1.544 -5.164 1.00 0.11 H new ATOM 0 HB2 ASN A 31 10.375 -0.673 -7.127 1.00 42.14 H new ATOM 0 HB3 ASN A 31 9.439 -0.790 -5.650 1.00 42.14 H new ATOM 0 HD21 ASN A 31 6.373 0.317 -7.057 1.00 61.25 H new ATOM 0 HD22 ASN A 31 7.282 0.008 -5.574 1.00 61.25 H new ATOM 492 N ARG A 32 12.217 1.755 -4.627 1.00 20.05 N ATOM 493 CA ARG A 32 13.553 1.600 -4.065 1.00 24.13 C ATOM 494 C ARG A 32 13.573 1.995 -2.591 1.00 52.31 C ATOM 495 O ARG A 32 12.749 2.791 -2.140 1.00 53.10 O ATOM 496 CB ARG A 32 14.559 2.448 -4.845 1.00 3.43 C ATOM 497 CG ARG A 32 14.492 2.243 -6.349 1.00 51.23 C ATOM 498 CD ARG A 32 15.300 3.296 -7.092 1.00 24.43 C ATOM 499 NE ARG A 32 16.680 2.871 -7.312 1.00 3.01 N ATOM 500 CZ ARG A 32 17.042 2.006 -8.253 1.00 32.10 C ATOM 501 NH1 ARG A 32 16.130 1.477 -9.057 1.00 61.31 N ATOM 502 NH2 ARG A 32 18.318 1.669 -8.391 1.00 53.04 N ATOM 0 H ARG A 32 11.721 2.589 -4.312 1.00 20.05 H new ATOM 0 HA ARG A 32 13.834 0.550 -4.145 1.00 24.13 H new ATOM 0 HB2 ARG A 32 14.384 3.501 -4.622 1.00 3.43 H new ATOM 0 HB3 ARG A 32 15.565 2.212 -4.499 1.00 3.43 H new ATOM 0 HG2 ARG A 32 14.868 1.251 -6.599 1.00 51.23 H new ATOM 0 HG3 ARG A 32 13.453 2.282 -6.677 1.00 51.23 H new ATOM 0 HD2 ARG A 32 14.828 3.505 -8.052 1.00 24.43 H new ATOM 0 HD3 ARG A 32 15.293 4.226 -6.524 1.00 24.43 H new ATOM 0 HE ARG A 32 17.406 3.260 -6.710 1.00 3.01 H new ATOM 0 HH11 ARG A 32 15.148 1.734 -8.954 1.00 61.31 H new ATOM 0 HH12 ARG A 32 16.410 0.813 -9.779 1.00 61.31 H new ATOM 0 HH21 ARG A 32 19.022 2.074 -7.774 1.00 53.04 H new ATOM 0 HH22 ARG A 32 18.595 1.005 -9.114 1.00 53.04 H new ATOM 516 N PHE A 33 14.519 1.434 -1.846 1.00 33.45 N ATOM 517 CA PHE A 33 14.645 1.726 -0.422 1.00 53.15 C ATOM 518 C PHE A 33 15.840 2.637 -0.158 1.00 53.53 C ATOM 519 O PHE A 33 16.991 2.230 -0.310 1.00 64.33 O ATOM 520 CB PHE A 33 14.792 0.429 0.375 1.00 23.23 C ATOM 521 CG PHE A 33 13.559 -0.428 0.360 1.00 15.24 C ATOM 522 CD1 PHE A 33 12.482 -0.129 1.179 1.00 14.13 C ATOM 523 CD2 PHE A 33 13.476 -1.532 -0.472 1.00 60.22 C ATOM 524 CE1 PHE A 33 11.345 -0.915 1.168 1.00 54.23 C ATOM 525 CE2 PHE A 33 12.342 -2.321 -0.488 1.00 74.44 C ATOM 526 CZ PHE A 33 11.275 -2.013 0.333 1.00 21.14 C ATOM 0 H PHE A 33 15.210 0.775 -2.204 1.00 33.45 H new ATOM 0 HA PHE A 33 13.740 2.241 -0.100 1.00 53.15 H new ATOM 0 HB2 PHE A 33 15.627 -0.143 -0.029 1.00 23.23 H new ATOM 0 HB3 PHE A 33 15.042 0.673 1.407 1.00 23.23 H new ATOM 0 HD1 PHE A 33 12.532 0.728 1.834 1.00 14.13 H new ATOM 0 HD2 PHE A 33 14.307 -1.779 -1.116 1.00 60.22 H new ATOM 0 HE1 PHE A 33 10.513 -0.671 1.811 1.00 54.23 H new ATOM 0 HE2 PHE A 33 12.290 -3.179 -1.142 1.00 74.44 H new ATOM 0 HZ PHE A 33 10.388 -2.629 0.322 1.00 21.14 H new ATOM 536 N PHE A 34 15.557 3.874 0.238 1.00 52.13 N ATOM 537 CA PHE A 34 16.607 4.845 0.522 1.00 61.03 C ATOM 538 C PHE A 34 16.653 5.177 2.010 1.00 21.44 C ATOM 539 O PHE A 34 15.636 5.522 2.613 1.00 44.34 O ATOM 540 CB PHE A 34 16.383 6.122 -0.290 1.00 43.42 C ATOM 541 CG PHE A 34 16.862 6.022 -1.710 1.00 64.11 C ATOM 542 CD1 PHE A 34 16.152 5.286 -2.644 1.00 62.54 C ATOM 543 CD2 PHE A 34 18.024 6.663 -2.110 1.00 55.54 C ATOM 544 CE1 PHE A 34 16.590 5.191 -3.952 1.00 41.31 C ATOM 545 CE2 PHE A 34 18.466 6.573 -3.417 1.00 0.24 C ATOM 546 CZ PHE A 34 17.749 5.835 -4.338 1.00 42.23 C ATOM 0 H PHE A 34 14.609 4.227 0.369 1.00 52.13 H new ATOM 0 HA PHE A 34 17.562 4.404 0.237 1.00 61.03 H new ATOM 0 HB2 PHE A 34 15.320 6.361 -0.290 1.00 43.42 H new ATOM 0 HB3 PHE A 34 16.896 6.949 0.200 1.00 43.42 H new ATOM 0 HD1 PHE A 34 15.245 4.780 -2.347 1.00 62.54 H new ATOM 0 HD2 PHE A 34 18.590 7.239 -1.393 1.00 55.54 H new ATOM 0 HE1 PHE A 34 16.027 4.614 -4.671 1.00 41.31 H new ATOM 0 HE2 PHE A 34 19.371 7.079 -3.717 1.00 0.24 H new ATOM 0 HZ PHE A 34 18.094 5.762 -5.359 1.00 42.23 H new ATOM 556 N PHE A 35 17.840 5.068 2.598 1.00 31.03 N ATOM 557 CA PHE A 35 18.020 5.354 4.017 1.00 55.42 C ATOM 558 C PHE A 35 19.032 6.477 4.221 1.00 43.40 C ATOM 559 O PHE A 35 19.988 6.613 3.456 1.00 34.13 O ATOM 560 CB PHE A 35 18.479 4.097 4.759 1.00 54.35 C ATOM 561 CG PHE A 35 17.719 2.861 4.371 1.00 53.25 C ATOM 562 CD1 PHE A 35 16.358 2.920 4.114 1.00 45.35 C ATOM 563 CD2 PHE A 35 18.365 1.640 4.263 1.00 15.04 C ATOM 564 CE1 PHE A 35 15.656 1.785 3.756 1.00 62.31 C ATOM 565 CE2 PHE A 35 17.668 0.501 3.906 1.00 54.42 C ATOM 566 CZ PHE A 35 16.312 0.574 3.653 1.00 74.51 C ATOM 0 H PHE A 35 18.692 4.784 2.114 1.00 31.03 H new ATOM 0 HA PHE A 35 17.060 5.675 4.422 1.00 55.42 H new ATOM 0 HB2 PHE A 35 19.540 3.937 4.565 1.00 54.35 H new ATOM 0 HB3 PHE A 35 18.372 4.258 5.832 1.00 54.35 H new ATOM 0 HD1 PHE A 35 15.840 3.864 4.195 1.00 45.35 H new ATOM 0 HD2 PHE A 35 19.425 1.578 4.460 1.00 15.04 H new ATOM 0 HE1 PHE A 35 14.596 1.845 3.557 1.00 62.31 H new ATOM 0 HE2 PHE A 35 18.183 -0.445 3.825 1.00 54.42 H new ATOM 0 HZ PHE A 35 15.765 -0.315 3.375 1.00 74.51 H new ATOM 576 N ASP A 36 18.816 7.280 5.257 1.00 15.00 N ATOM 577 CA ASP A 36 19.709 8.391 5.563 1.00 14.42 C ATOM 578 C ASP A 36 20.553 8.086 6.797 1.00 51.25 C ATOM 579 O ASP A 36 20.033 7.991 7.909 1.00 72.21 O ATOM 580 CB ASP A 36 18.905 9.674 5.785 1.00 73.43 C ATOM 581 CG ASP A 36 17.632 9.430 6.572 1.00 51.14 C ATOM 582 OD1 ASP A 36 16.682 8.854 6.001 1.00 51.23 O ATOM 583 OD2 ASP A 36 17.586 9.815 7.759 1.00 61.34 O ATOM 0 H ASP A 36 18.030 7.182 5.899 1.00 15.00 H new ATOM 0 HA ASP A 36 20.377 8.532 4.713 1.00 14.42 H new ATOM 0 HB2 ASP A 36 19.523 10.400 6.314 1.00 73.43 H new ATOM 0 HB3 ASP A 36 18.654 10.113 4.820 1.00 73.43 H new ATOM 588 N CYS A 37 21.856 7.933 6.592 1.00 44.24 N ATOM 589 CA CYS A 37 22.773 7.637 7.687 1.00 71.41 C ATOM 590 C CYS A 37 23.612 8.860 8.040 1.00 44.13 C ATOM 591 O CYS A 37 23.998 9.636 7.164 1.00 74.22 O ATOM 592 CB CYS A 37 23.685 6.467 7.314 1.00 43.45 C ATOM 593 SG CYS A 37 24.369 5.582 8.734 1.00 61.10 S ATOM 0 H CYS A 37 22.302 8.009 5.678 1.00 44.24 H new ATOM 0 HA CYS A 37 22.181 7.362 8.560 1.00 71.41 H new ATOM 0 HB2 CYS A 37 23.123 5.765 6.698 1.00 43.45 H new ATOM 0 HB3 CYS A 37 24.506 6.841 6.703 1.00 43.45 H new ATOM 0 HG CYS A 37 25.124 4.610 8.317 1.00 61.10 H new ATOM 599 N LEU A 38 23.891 9.028 9.328 1.00 45.14 N ATOM 600 CA LEU A 38 24.684 10.159 9.798 1.00 64.25 C ATOM 601 C LEU A 38 26.045 9.695 10.307 1.00 2.23 C ATOM 602 O LEU A 38 26.131 8.924 11.262 1.00 4.25 O ATOM 603 CB LEU A 38 23.939 10.904 10.906 1.00 52.42 C ATOM 604 CG LEU A 38 22.611 11.549 10.505 1.00 4.14 C ATOM 605 CD1 LEU A 38 22.045 12.364 11.658 1.00 51.13 C ATOM 606 CD2 LEU A 38 22.793 12.421 9.271 1.00 34.15 C ATOM 0 H LEU A 38 23.580 8.396 10.065 1.00 45.14 H new ATOM 0 HA LEU A 38 24.842 10.835 8.958 1.00 64.25 H new ATOM 0 HB2 LEU A 38 23.750 10.206 11.722 1.00 52.42 H new ATOM 0 HB3 LEU A 38 24.594 11.682 11.298 1.00 52.42 H new ATOM 0 HG LEU A 38 21.902 10.757 10.264 1.00 4.14 H new ATOM 0 HD11 LEU A 38 21.100 12.816 11.355 1.00 51.13 H new ATOM 0 HD12 LEU A 38 21.877 11.713 12.516 1.00 51.13 H new ATOM 0 HD13 LEU A 38 22.751 13.148 11.930 1.00 51.13 H new ATOM 0 HD21 LEU A 38 21.838 12.872 9.000 1.00 34.15 H new ATOM 0 HD22 LEU A 38 23.518 13.207 9.484 1.00 34.15 H new ATOM 0 HD23 LEU A 38 23.154 11.810 8.444 1.00 34.15 H new ATOM 618 N ALA A 39 27.106 10.172 9.665 1.00 40.54 N ATOM 619 CA ALA A 39 28.463 9.810 10.055 1.00 12.55 C ATOM 620 C ALA A 39 29.129 10.939 10.834 1.00 5.41 C ATOM 621 O ALA A 39 29.387 10.814 12.031 1.00 23.43 O ATOM 622 CB ALA A 39 29.288 9.454 8.828 1.00 23.01 C ATOM 0 H ALA A 39 27.052 10.811 8.872 1.00 40.54 H new ATOM 0 HA ALA A 39 28.407 8.938 10.706 1.00 12.55 H new ATOM 0 HB1 ALA A 39 30.299 9.186 9.135 1.00 23.01 H new ATOM 0 HB2 ALA A 39 28.829 8.610 8.313 1.00 23.01 H new ATOM 0 HB3 ALA A 39 29.328 10.311 8.155 1.00 23.01 H new ATOM 628 N VAL A 40 29.407 12.043 10.147 1.00 62.23 N ATOM 629 CA VAL A 40 30.044 13.195 10.774 1.00 32.42 C ATOM 630 C VAL A 40 29.447 14.500 10.260 1.00 22.02 C ATOM 631 O VAL A 40 29.221 14.661 9.060 1.00 3.13 O ATOM 632 CB VAL A 40 31.563 13.203 10.522 1.00 62.23 C ATOM 633 CG1 VAL A 40 32.202 14.432 11.149 1.00 3.12 C ATOM 634 CG2 VAL A 40 32.199 11.929 11.058 1.00 72.13 C ATOM 0 H VAL A 40 29.201 12.164 9.155 1.00 62.23 H new ATOM 0 HA VAL A 40 29.862 13.113 11.846 1.00 32.42 H new ATOM 0 HB VAL A 40 31.735 13.243 9.446 1.00 62.23 H new ATOM 0 HG11 VAL A 40 33.276 14.420 10.960 1.00 3.12 H new ATOM 0 HG12 VAL A 40 31.767 15.331 10.713 1.00 3.12 H new ATOM 0 HG13 VAL A 40 32.022 14.427 12.224 1.00 3.12 H new ATOM 0 HG21 VAL A 40 33.273 11.952 10.871 1.00 72.13 H new ATOM 0 HG22 VAL A 40 32.019 11.856 12.130 1.00 72.13 H new ATOM 0 HG23 VAL A 40 31.762 11.065 10.557 1.00 72.13 H new ATOM 644 N CYS A 41 29.195 15.429 11.175 1.00 13.13 N ATOM 645 CA CYS A 41 28.624 16.722 10.815 1.00 75.02 C ATOM 646 C CYS A 41 29.674 17.619 10.168 1.00 52.01 C ATOM 647 O CYS A 41 30.858 17.542 10.495 1.00 62.43 O ATOM 648 CB CYS A 41 28.041 17.408 12.051 1.00 10.12 C ATOM 649 SG CYS A 41 26.963 16.349 13.044 1.00 1.02 S ATOM 0 H CYS A 41 29.377 15.311 12.172 1.00 13.13 H new ATOM 0 HA CYS A 41 27.825 16.550 10.094 1.00 75.02 H new ATOM 0 HB2 CYS A 41 28.860 17.763 12.677 1.00 10.12 H new ATOM 0 HB3 CYS A 41 27.478 18.286 11.734 1.00 10.12 H new ATOM 0 HG CYS A 41 25.760 16.372 12.552 1.00 1.02 H new ATOM 655 N VAL A 42 29.232 18.469 9.247 1.00 51.53 N ATOM 656 CA VAL A 42 30.134 19.381 8.553 1.00 54.22 C ATOM 657 C VAL A 42 30.811 20.334 9.531 1.00 42.32 C ATOM 658 O VAL A 42 32.034 20.466 9.538 1.00 23.14 O ATOM 659 CB VAL A 42 29.388 20.203 7.485 1.00 52.50 C ATOM 660 CG1 VAL A 42 30.337 21.173 6.798 1.00 3.21 C ATOM 661 CG2 VAL A 42 28.726 19.283 6.470 1.00 5.13 C ATOM 0 H VAL A 42 28.255 18.545 8.964 1.00 51.53 H new ATOM 0 HA VAL A 42 30.891 18.767 8.065 1.00 54.22 H new ATOM 0 HB VAL A 42 28.608 20.783 7.978 1.00 52.50 H new ATOM 0 HG11 VAL A 42 29.792 21.745 6.047 1.00 3.21 H new ATOM 0 HG12 VAL A 42 30.759 21.854 7.537 1.00 3.21 H new ATOM 0 HG13 VAL A 42 31.141 20.616 6.317 1.00 3.21 H new ATOM 0 HG21 VAL A 42 28.204 19.881 5.723 1.00 5.13 H new ATOM 0 HG22 VAL A 42 29.486 18.674 5.981 1.00 5.13 H new ATOM 0 HG23 VAL A 42 28.013 18.634 6.978 1.00 5.13 H new ATOM 671 N ASN A 43 30.007 20.997 10.356 1.00 41.22 N ATOM 672 CA ASN A 43 30.529 21.939 11.339 1.00 2.21 C ATOM 673 C ASN A 43 29.948 21.660 12.722 1.00 53.32 C ATOM 674 O ASN A 43 28.955 20.945 12.857 1.00 70.10 O ATOM 675 CB ASN A 43 30.210 23.376 10.920 1.00 61.43 C ATOM 676 CG ASN A 43 31.044 23.832 9.738 1.00 61.40 C ATOM 677 OD1 ASN A 43 31.669 23.020 9.055 1.00 5.14 O ATOM 678 ND2 ASN A 43 31.057 25.136 9.491 1.00 12.43 N ATOM 0 H ASN A 43 28.992 20.899 10.363 1.00 41.22 H new ATOM 0 HA ASN A 43 31.611 21.813 11.386 1.00 2.21 H new ATOM 0 HB2 ASN A 43 29.153 23.451 10.666 1.00 61.43 H new ATOM 0 HB3 ASN A 43 30.384 24.045 11.763 1.00 61.43 H new ATOM 0 HD21 ASN A 43 31.600 25.502 8.709 1.00 12.43 H new ATOM 0 HD22 ASN A 43 30.524 25.773 10.083 1.00 12.43 H new ATOM 685 N VAL A 44 30.573 22.231 13.747 1.00 72.12 N ATOM 686 CA VAL A 44 30.117 22.046 15.119 1.00 21.33 C ATOM 687 C VAL A 44 29.746 23.379 15.760 1.00 64.51 C ATOM 688 O VAL A 44 28.849 23.448 16.600 1.00 1.31 O ATOM 689 CB VAL A 44 31.193 21.357 15.980 1.00 72.42 C ATOM 690 CG1 VAL A 44 32.496 22.140 15.934 1.00 70.22 C ATOM 691 CG2 VAL A 44 30.707 21.197 17.413 1.00 40.55 C ATOM 0 H VAL A 44 31.396 22.825 13.653 1.00 72.12 H new ATOM 0 HA VAL A 44 29.234 21.409 15.075 1.00 21.33 H new ATOM 0 HB VAL A 44 31.380 20.364 15.571 1.00 72.42 H new ATOM 0 HG11 VAL A 44 33.244 21.638 16.548 1.00 70.22 H new ATOM 0 HG12 VAL A 44 32.850 22.197 14.905 1.00 70.22 H new ATOM 0 HG13 VAL A 44 32.329 23.147 16.316 1.00 70.22 H new ATOM 0 HG21 VAL A 44 31.480 20.709 18.007 1.00 40.55 H new ATOM 0 HG22 VAL A 44 30.491 22.178 17.836 1.00 40.55 H new ATOM 0 HG23 VAL A 44 29.802 20.589 17.425 1.00 40.55 H new ATOM 701 N LYS A 45 30.443 24.436 15.357 1.00 12.14 N ATOM 702 CA LYS A 45 30.187 25.769 15.890 1.00 40.12 C ATOM 703 C LYS A 45 28.709 26.128 15.771 1.00 2.02 C ATOM 704 O LYS A 45 28.034 26.416 16.760 1.00 44.21 O ATOM 705 CB LYS A 45 31.036 26.807 15.152 1.00 54.02 C ATOM 706 CG LYS A 45 32.206 27.327 15.968 1.00 42.10 C ATOM 707 CD LYS A 45 33.268 27.956 15.082 1.00 64.43 C ATOM 708 CE LYS A 45 34.668 27.542 15.510 1.00 60.20 C ATOM 709 NZ LYS A 45 35.637 27.610 14.381 1.00 55.21 N ATOM 0 H LYS A 45 31.190 24.395 14.663 1.00 12.14 H new ATOM 0 HA LYS A 45 30.459 25.770 16.946 1.00 40.12 H new ATOM 0 HB2 LYS A 45 31.415 26.365 14.230 1.00 54.02 H new ATOM 0 HB3 LYS A 45 30.402 27.646 14.866 1.00 54.02 H new ATOM 0 HG2 LYS A 45 31.850 28.063 16.689 1.00 42.10 H new ATOM 0 HG3 LYS A 45 32.645 26.509 16.539 1.00 42.10 H new ATOM 0 HD2 LYS A 45 33.101 27.661 14.046 1.00 64.43 H new ATOM 0 HD3 LYS A 45 33.180 29.042 15.122 1.00 64.43 H new ATOM 0 HE2 LYS A 45 35.007 28.190 16.319 1.00 60.20 H new ATOM 0 HE3 LYS A 45 34.641 26.526 15.905 1.00 60.20 H new ATOM 0 HZ1 LYS A 45 36.579 27.320 14.714 1.00 55.21 H new ATOM 0 HZ2 LYS A 45 35.328 26.973 13.619 1.00 55.21 H new ATOM 0 HZ3 LYS A 45 35.682 28.584 14.020 1.00 55.21 H new ATOM 723 N PRO A 46 28.192 26.110 14.534 1.00 63.53 N ATOM 724 CA PRO A 46 26.788 26.429 14.257 1.00 25.43 C ATOM 725 C PRO A 46 25.837 25.356 14.776 1.00 22.15 C ATOM 726 O PRO A 46 26.248 24.441 15.489 1.00 62.40 O ATOM 727 CB PRO A 46 26.734 26.497 12.729 1.00 25.11 C ATOM 728 CG PRO A 46 27.859 25.634 12.271 1.00 22.13 C ATOM 729 CD PRO A 46 28.938 25.775 13.309 1.00 44.11 C ATOM 0 HA PRO A 46 26.475 27.349 14.749 1.00 25.43 H new ATOM 0 HB2 PRO A 46 25.778 26.135 12.350 1.00 25.11 H new ATOM 0 HB3 PRO A 46 26.851 27.521 12.374 1.00 25.11 H new ATOM 0 HG2 PRO A 46 27.541 24.596 12.177 1.00 22.13 H new ATOM 0 HG3 PRO A 46 28.217 25.948 11.290 1.00 22.13 H new ATOM 0 HD2 PRO A 46 29.507 24.853 13.425 1.00 44.11 H new ATOM 0 HD3 PRO A 46 29.649 26.558 13.045 1.00 44.11 H new ATOM 737 N ALA A 47 24.564 25.475 14.414 1.00 0.14 N ATOM 738 CA ALA A 47 23.555 24.514 14.842 1.00 60.11 C ATOM 739 C ALA A 47 23.571 23.271 13.958 1.00 3.32 C ATOM 740 O ALA A 47 24.074 23.286 12.835 1.00 63.35 O ATOM 741 CB ALA A 47 22.176 25.156 14.828 1.00 35.41 C ATOM 0 H ALA A 47 24.207 26.228 13.825 1.00 0.14 H new ATOM 0 HA ALA A 47 23.790 24.206 15.861 1.00 60.11 H new ATOM 0 HB1 ALA A 47 21.432 24.427 15.150 1.00 35.41 H new ATOM 0 HB2 ALA A 47 22.165 26.009 15.506 1.00 35.41 H new ATOM 0 HB3 ALA A 47 21.941 25.492 13.818 1.00 35.41 H new ATOM 747 N PRO A 48 23.009 22.169 14.476 1.00 62.24 N ATOM 748 CA PRO A 48 22.947 20.897 13.750 1.00 70.23 C ATOM 749 C PRO A 48 21.986 20.951 12.567 1.00 32.42 C ATOM 750 O PRO A 48 22.328 20.540 11.459 1.00 20.50 O ATOM 751 CB PRO A 48 22.441 19.910 14.805 1.00 3.44 C ATOM 752 CG PRO A 48 21.688 20.750 15.779 1.00 43.14 C ATOM 753 CD PRO A 48 22.391 22.079 15.809 1.00 54.41 C ATOM 0 HA PRO A 48 23.911 20.626 13.321 1.00 70.23 H new ATOM 0 HB2 PRO A 48 21.800 19.149 14.360 1.00 3.44 H new ATOM 0 HB3 PRO A 48 23.267 19.388 15.288 1.00 3.44 H new ATOM 0 HG2 PRO A 48 20.648 20.865 15.473 1.00 43.14 H new ATOM 0 HG3 PRO A 48 21.680 20.290 16.767 1.00 43.14 H new ATOM 0 HD2 PRO A 48 21.694 22.898 15.985 1.00 54.41 H new ATOM 0 HD3 PRO A 48 23.138 22.121 16.602 1.00 54.41 H new ATOM 761 N GLU A 49 20.782 21.460 12.811 1.00 5.41 N ATOM 762 CA GLU A 49 19.772 21.567 11.765 1.00 64.12 C ATOM 763 C GLU A 49 20.151 22.643 10.751 1.00 71.53 C ATOM 764 O GLU A 49 19.671 22.640 9.617 1.00 71.11 O ATOM 765 CB GLU A 49 18.406 21.884 12.375 1.00 14.31 C ATOM 766 CG GLU A 49 18.301 23.293 12.934 1.00 0.24 C ATOM 767 CD GLU A 49 17.066 23.490 13.792 1.00 4.14 C ATOM 768 OE1 GLU A 49 16.275 22.532 13.921 1.00 41.32 O ATOM 769 OE2 GLU A 49 16.891 24.601 14.335 1.00 61.01 O ATOM 0 H GLU A 49 20.483 21.804 13.723 1.00 5.41 H new ATOM 0 HA GLU A 49 19.717 20.609 11.249 1.00 64.12 H new ATOM 0 HB2 GLU A 49 17.637 21.746 11.615 1.00 14.31 H new ATOM 0 HB3 GLU A 49 18.199 21.170 13.172 1.00 14.31 H new ATOM 0 HG2 GLU A 49 19.189 23.512 13.527 1.00 0.24 H new ATOM 0 HG3 GLU A 49 18.284 24.006 12.110 1.00 0.24 H new ATOM 776 N LYS A 50 21.015 23.562 11.167 1.00 11.11 N ATOM 777 CA LYS A 50 21.460 24.644 10.297 1.00 11.21 C ATOM 778 C LYS A 50 22.617 24.190 9.412 1.00 14.33 C ATOM 779 O LYS A 50 22.965 24.859 8.439 1.00 21.30 O ATOM 780 CB LYS A 50 21.886 25.854 11.131 1.00 3.33 C ATOM 781 CG LYS A 50 20.756 26.830 11.409 1.00 42.52 C ATOM 782 CD LYS A 50 21.210 27.969 12.307 1.00 25.41 C ATOM 783 CE LYS A 50 20.293 29.176 12.185 1.00 71.53 C ATOM 784 NZ LYS A 50 20.749 30.308 13.038 1.00 71.31 N ATOM 0 H LYS A 50 21.422 23.579 12.102 1.00 11.11 H new ATOM 0 HA LYS A 50 20.625 24.928 9.656 1.00 11.21 H new ATOM 0 HB2 LYS A 50 22.295 25.505 12.079 1.00 3.33 H new ATOM 0 HB3 LYS A 50 22.688 26.378 10.612 1.00 3.33 H new ATOM 0 HG2 LYS A 50 20.383 27.234 10.468 1.00 42.52 H new ATOM 0 HG3 LYS A 50 19.926 26.303 11.880 1.00 42.52 H new ATOM 0 HD2 LYS A 50 21.231 27.630 13.343 1.00 25.41 H new ATOM 0 HD3 LYS A 50 22.228 28.257 12.045 1.00 25.41 H new ATOM 0 HE2 LYS A 50 20.254 29.498 11.145 1.00 71.53 H new ATOM 0 HE3 LYS A 50 19.280 28.892 12.469 1.00 71.53 H new ATOM 0 HZ1 LYS A 50 20.098 31.111 12.926 1.00 71.31 H new ATOM 0 HZ2 LYS A 50 20.762 30.009 14.034 1.00 71.31 H new ATOM 0 HZ3 LYS A 50 21.706 30.596 12.750 1.00 71.31 H new ATOM 798 N ARG A 51 23.207 23.050 9.756 1.00 15.22 N ATOM 799 CA ARG A 51 24.324 22.507 8.993 1.00 54.44 C ATOM 800 C ARG A 51 23.997 21.112 8.468 1.00 11.15 C ATOM 801 O ARG A 51 23.106 20.438 8.984 1.00 13.42 O ATOM 802 CB ARG A 51 25.584 22.457 9.858 1.00 31.52 C ATOM 803 CG ARG A 51 26.552 23.598 9.592 1.00 61.41 C ATOM 804 CD ARG A 51 27.407 23.328 8.363 1.00 33.24 C ATOM 805 NE ARG A 51 28.041 24.543 7.861 1.00 44.24 N ATOM 806 CZ ARG A 51 28.525 24.664 6.629 1.00 5.14 C ATOM 807 NH1 ARG A 51 28.447 23.649 5.780 1.00 2.01 N ATOM 808 NH2 ARG A 51 29.089 25.803 6.246 1.00 72.54 N ATOM 0 H ARG A 51 22.930 22.484 10.558 1.00 15.22 H new ATOM 0 HA ARG A 51 24.503 23.163 8.141 1.00 54.44 H new ATOM 0 HB2 ARG A 51 25.294 22.475 10.909 1.00 31.52 H new ATOM 0 HB3 ARG A 51 26.096 21.510 9.685 1.00 31.52 H new ATOM 0 HG2 ARG A 51 25.995 24.524 9.453 1.00 61.41 H new ATOM 0 HG3 ARG A 51 27.195 23.741 10.460 1.00 61.41 H new ATOM 0 HD2 ARG A 51 28.174 22.594 8.609 1.00 33.24 H new ATOM 0 HD3 ARG A 51 26.788 22.892 7.579 1.00 33.24 H new ATOM 0 HE ARG A 51 28.117 25.343 8.490 1.00 44.24 H new ATOM 0 HH11 ARG A 51 28.015 22.772 6.072 1.00 2.01 H new ATOM 0 HH12 ARG A 51 28.819 23.745 4.835 1.00 2.01 H new ATOM 0 HH21 ARG A 51 29.151 26.586 6.897 1.00 72.54 H new ATOM 0 HH22 ARG A 51 29.460 25.896 5.301 1.00 72.54 H new ATOM 822 N GLU A 52 24.724 20.686 7.441 1.00 44.24 N ATOM 823 CA GLU A 52 24.510 19.372 6.846 1.00 23.25 C ATOM 824 C GLU A 52 25.422 18.330 7.488 1.00 63.24 C ATOM 825 O GLU A 52 26.387 18.670 8.172 1.00 3.22 O ATOM 826 CB GLU A 52 24.758 19.423 5.337 1.00 0.14 C ATOM 827 CG GLU A 52 24.094 20.605 4.651 1.00 10.15 C ATOM 828 CD GLU A 52 25.080 21.697 4.286 1.00 45.13 C ATOM 829 OE1 GLU A 52 26.075 21.392 3.595 1.00 10.01 O ATOM 830 OE2 GLU A 52 24.857 22.857 4.691 1.00 41.45 O ATOM 0 H GLU A 52 25.467 21.231 7.003 1.00 44.24 H new ATOM 0 HA GLU A 52 23.474 19.084 7.026 1.00 23.25 H new ATOM 0 HB2 GLU A 52 25.832 19.464 5.155 1.00 0.14 H new ATOM 0 HB3 GLU A 52 24.393 18.500 4.886 1.00 0.14 H new ATOM 0 HG2 GLU A 52 23.589 20.260 3.749 1.00 10.15 H new ATOM 0 HG3 GLU A 52 23.327 21.017 5.307 1.00 10.15 H new ATOM 837 N PHE A 53 25.109 17.058 7.261 1.00 41.40 N ATOM 838 CA PHE A 53 25.899 15.966 7.817 1.00 34.31 C ATOM 839 C PHE A 53 26.369 15.020 6.716 1.00 21.53 C ATOM 840 O PHE A 53 25.746 14.921 5.660 1.00 55.25 O ATOM 841 CB PHE A 53 25.080 15.193 8.854 1.00 42.22 C ATOM 842 CG PHE A 53 24.345 16.079 9.818 1.00 10.24 C ATOM 843 CD1 PHE A 53 24.977 17.166 10.401 1.00 51.22 C ATOM 844 CD2 PHE A 53 23.022 15.826 10.142 1.00 30.54 C ATOM 845 CE1 PHE A 53 24.303 17.982 11.289 1.00 12.53 C ATOM 846 CE2 PHE A 53 22.343 16.639 11.030 1.00 74.30 C ATOM 847 CZ PHE A 53 22.984 17.719 11.603 1.00 12.23 C ATOM 0 H PHE A 53 24.314 16.759 6.696 1.00 41.40 H new ATOM 0 HA PHE A 53 26.776 16.395 8.302 1.00 34.31 H new ATOM 0 HB2 PHE A 53 24.361 14.557 8.337 1.00 42.22 H new ATOM 0 HB3 PHE A 53 25.745 14.534 9.413 1.00 42.22 H new ATOM 0 HD1 PHE A 53 26.008 17.378 10.158 1.00 51.22 H new ATOM 0 HD2 PHE A 53 22.515 14.983 9.695 1.00 30.54 H new ATOM 0 HE1 PHE A 53 24.807 18.825 11.737 1.00 12.53 H new ATOM 0 HE2 PHE A 53 21.312 16.430 11.275 1.00 74.30 H new ATOM 0 HZ PHE A 53 22.455 18.357 12.295 1.00 12.23 H new ATOM 857 N TRP A 54 27.473 14.327 6.972 1.00 33.33 N ATOM 858 CA TRP A 54 28.028 13.389 6.003 1.00 30.43 C ATOM 859 C TRP A 54 27.427 11.999 6.185 1.00 42.11 C ATOM 860 O TRP A 54 27.141 11.578 7.305 1.00 72.13 O ATOM 861 CB TRP A 54 29.550 13.322 6.142 1.00 72.25 C ATOM 862 CG TRP A 54 30.229 14.628 5.864 1.00 44.53 C ATOM 863 CD1 TRP A 54 30.968 15.371 6.740 1.00 23.43 C ATOM 864 CD2 TRP A 54 30.231 15.348 4.626 1.00 74.43 C ATOM 865 NE1 TRP A 54 31.429 16.508 6.122 1.00 72.13 N ATOM 866 CE2 TRP A 54 30.991 16.517 4.824 1.00 72.11 C ATOM 867 CE3 TRP A 54 29.665 15.117 3.369 1.00 65.23 C ATOM 868 CZ2 TRP A 54 31.197 17.450 3.812 1.00 44.52 C ATOM 869 CZ3 TRP A 54 29.871 16.045 2.365 1.00 22.54 C ATOM 870 CH2 TRP A 54 30.632 17.199 2.591 1.00 3.11 C ATOM 0 H TRP A 54 28.001 14.397 7.842 1.00 33.33 H new ATOM 0 HA TRP A 54 27.776 13.745 5.004 1.00 30.43 H new ATOM 0 HB2 TRP A 54 29.802 12.997 7.152 1.00 72.25 H new ATOM 0 HB3 TRP A 54 29.937 12.566 5.458 1.00 72.25 H new ATOM 0 HD1 TRP A 54 31.162 15.104 7.768 1.00 23.43 H new ATOM 0 HE1 TRP A 54 32.004 17.228 6.559 1.00 72.13 H new ATOM 0 HE3 TRP A 54 29.077 14.230 3.185 1.00 65.23 H new ATOM 0 HZ2 TRP A 54 31.782 18.341 3.984 1.00 44.52 H new ATOM 0 HZ3 TRP A 54 29.438 15.877 1.390 1.00 22.54 H new ATOM 0 HH2 TRP A 54 30.776 17.905 1.786 1.00 3.11 H new ATOM 881 N GLY A 55 27.239 11.291 5.076 1.00 71.54 N ATOM 882 CA GLY A 55 26.673 9.955 5.135 1.00 1.52 C ATOM 883 C GLY A 55 26.279 9.431 3.769 1.00 53.33 C ATOM 884 O GLY A 55 25.625 10.130 2.994 1.00 62.33 O ATOM 0 H GLY A 55 27.468 11.618 4.137 1.00 71.54 H new ATOM 0 HA2 GLY A 55 27.397 9.277 5.586 1.00 1.52 H new ATOM 0 HA3 GLY A 55 25.797 9.963 5.784 1.00 1.52 H new ATOM 888 N TRP A 56 26.678 8.200 3.472 1.00 75.13 N ATOM 889 CA TRP A 56 26.363 7.584 2.188 1.00 71.42 C ATOM 890 C TRP A 56 25.032 6.843 2.251 1.00 32.23 C ATOM 891 O TRP A 56 24.802 6.036 3.153 1.00 45.43 O ATOM 892 CB TRP A 56 27.477 6.621 1.774 1.00 22.12 C ATOM 893 CG TRP A 56 27.570 5.409 2.651 1.00 65.45 C ATOM 894 CD1 TRP A 56 28.304 5.279 3.795 1.00 11.33 C ATOM 895 CD2 TRP A 56 26.909 4.155 2.452 1.00 71.43 C ATOM 896 NE1 TRP A 56 28.138 4.020 4.320 1.00 1.21 N ATOM 897 CE2 TRP A 56 27.286 3.311 3.515 1.00 4.30 C ATOM 898 CE3 TRP A 56 26.033 3.663 1.480 1.00 31.34 C ATOM 899 CZ2 TRP A 56 26.818 2.005 3.631 1.00 43.10 C ATOM 900 CZ3 TRP A 56 25.569 2.366 1.597 1.00 44.12 C ATOM 901 CH2 TRP A 56 25.962 1.550 2.666 1.00 71.52 C ATOM 0 H TRP A 56 27.220 7.609 4.102 1.00 75.13 H new ATOM 0 HA TRP A 56 26.282 8.376 1.444 1.00 71.42 H new ATOM 0 HB2 TRP A 56 27.310 6.304 0.745 1.00 22.12 H new ATOM 0 HB3 TRP A 56 28.430 7.149 1.794 1.00 22.12 H new ATOM 0 HD1 TRP A 56 28.924 6.052 4.224 1.00 11.33 H new ATOM 0 HE1 TRP A 56 28.578 3.670 5.171 1.00 1.21 H new ATOM 0 HE3 TRP A 56 25.724 4.285 0.653 1.00 31.34 H new ATOM 0 HZ2 TRP A 56 27.120 1.374 4.454 1.00 43.10 H new ATOM 0 HZ3 TRP A 56 24.892 1.975 0.852 1.00 44.12 H new ATOM 0 HH2 TRP A 56 25.581 0.541 2.729 1.00 71.52 H new ATOM 912 N TRP A 57 24.159 7.121 1.290 1.00 33.10 N ATOM 913 CA TRP A 57 22.850 6.479 1.238 1.00 52.53 C ATOM 914 C TRP A 57 22.940 5.111 0.571 1.00 42.44 C ATOM 915 O TRP A 57 23.745 4.906 -0.337 1.00 63.31 O ATOM 916 CB TRP A 57 21.856 7.364 0.483 1.00 34.33 C ATOM 917 CG TRP A 57 22.338 7.774 -0.875 1.00 53.41 C ATOM 918 CD1 TRP A 57 22.525 6.964 -1.958 1.00 22.41 C ATOM 919 CD2 TRP A 57 22.695 9.096 -1.294 1.00 62.12 C ATOM 920 NE1 TRP A 57 22.978 7.702 -3.025 1.00 72.40 N ATOM 921 CE2 TRP A 57 23.090 9.013 -2.644 1.00 34.51 C ATOM 922 CE3 TRP A 57 22.719 10.342 -0.662 1.00 33.35 C ATOM 923 CZ2 TRP A 57 23.503 10.127 -3.369 1.00 12.24 C ATOM 924 CZ3 TRP A 57 23.129 11.447 -1.382 1.00 44.00 C ATOM 925 CH2 TRP A 57 23.516 11.334 -2.724 1.00 42.31 C ATOM 0 H TRP A 57 24.333 7.786 0.537 1.00 33.10 H new ATOM 0 HA TRP A 57 22.500 6.341 2.261 1.00 52.53 H new ATOM 0 HB2 TRP A 57 20.911 6.830 0.379 1.00 34.33 H new ATOM 0 HB3 TRP A 57 21.654 8.257 1.074 1.00 34.33 H new ATOM 0 HD1 TRP A 57 22.344 5.899 -1.974 1.00 22.41 H new ATOM 0 HE1 TRP A 57 23.196 7.333 -3.951 1.00 72.40 H new ATOM 0 HE3 TRP A 57 22.422 10.439 0.372 1.00 33.35 H new ATOM 0 HZ2 TRP A 57 23.802 10.042 -4.403 1.00 12.24 H new ATOM 0 HZ3 TRP A 57 23.152 12.414 -0.903 1.00 44.00 H new ATOM 0 HH2 TRP A 57 23.831 12.217 -3.260 1.00 42.31 H new ATOM 936 N MET A 58 22.109 4.180 1.026 1.00 25.53 N ATOM 937 CA MET A 58 22.096 2.831 0.471 1.00 11.04 C ATOM 938 C MET A 58 20.783 2.555 -0.255 1.00 2.30 C ATOM 939 O MET A 58 19.724 2.483 0.366 1.00 14.14 O ATOM 940 CB MET A 58 22.305 1.798 1.580 1.00 5.02 C ATOM 941 CG MET A 58 22.738 0.434 1.066 1.00 11.35 C ATOM 942 SD MET A 58 21.340 -0.622 0.640 1.00 25.54 S ATOM 943 CE MET A 58 21.290 -1.708 2.064 1.00 3.02 C ATOM 0 H MET A 58 21.436 4.334 1.777 1.00 25.53 H new ATOM 0 HA MET A 58 22.912 2.753 -0.247 1.00 11.04 H new ATOM 0 HB2 MET A 58 23.057 2.171 2.275 1.00 5.02 H new ATOM 0 HB3 MET A 58 21.378 1.688 2.142 1.00 5.02 H new ATOM 0 HG2 MET A 58 23.371 0.565 0.188 1.00 11.35 H new ATOM 0 HG3 MET A 58 23.344 -0.061 1.825 1.00 11.35 H new ATOM 0 HE1 MET A 58 21.055 -2.722 1.740 1.00 3.02 H new ATOM 0 HE2 MET A 58 22.260 -1.702 2.561 1.00 3.02 H new ATOM 0 HE3 MET A 58 20.525 -1.362 2.759 1.00 3.02 H new ATOM 953 N GLU A 59 20.862 2.403 -1.573 1.00 70.32 N ATOM 954 CA GLU A 59 19.679 2.136 -2.383 1.00 12.13 C ATOM 955 C GLU A 59 19.740 0.738 -2.991 1.00 54.14 C ATOM 956 O GLU A 59 20.590 0.452 -3.836 1.00 11.54 O ATOM 957 CB GLU A 59 19.546 3.182 -3.492 1.00 23.21 C ATOM 958 CG GLU A 59 20.844 3.447 -4.237 1.00 32.31 C ATOM 959 CD GLU A 59 20.620 3.776 -5.700 1.00 14.41 C ATOM 960 OE1 GLU A 59 20.328 4.952 -6.004 1.00 75.14 O ATOM 961 OE2 GLU A 59 20.736 2.860 -6.540 1.00 31.22 O ATOM 0 H GLU A 59 21.732 2.460 -2.102 1.00 70.32 H new ATOM 0 HA GLU A 59 18.805 2.193 -1.734 1.00 12.13 H new ATOM 0 HB2 GLU A 59 18.790 2.851 -4.203 1.00 23.21 H new ATOM 0 HB3 GLU A 59 19.189 4.116 -3.058 1.00 23.21 H new ATOM 0 HG2 GLU A 59 21.371 4.273 -3.759 1.00 32.31 H new ATOM 0 HG3 GLU A 59 21.488 2.571 -4.160 1.00 32.31 H new ATOM 968 N LEU A 60 18.833 -0.130 -2.557 1.00 13.23 N ATOM 969 CA LEU A 60 18.782 -1.499 -3.058 1.00 23.05 C ATOM 970 C LEU A 60 17.463 -1.768 -3.774 1.00 61.43 C ATOM 971 O LEU A 60 16.456 -1.113 -3.508 1.00 23.35 O ATOM 972 CB LEU A 60 18.962 -2.491 -1.907 1.00 4.21 C ATOM 973 CG LEU A 60 18.039 -2.297 -0.703 1.00 62.44 C ATOM 974 CD1 LEU A 60 16.707 -2.994 -0.935 1.00 3.20 C ATOM 975 CD2 LEU A 60 18.701 -2.816 0.565 1.00 11.01 C ATOM 0 H LEU A 60 18.123 0.090 -1.859 1.00 13.23 H new ATOM 0 HA LEU A 60 19.595 -1.629 -3.772 1.00 23.05 H new ATOM 0 HB2 LEU A 60 18.813 -3.498 -2.295 1.00 4.21 H new ATOM 0 HB3 LEU A 60 19.994 -2.432 -1.561 1.00 4.21 H new ATOM 0 HG LEU A 60 17.851 -1.230 -0.580 1.00 62.44 H new ATOM 0 HD11 LEU A 60 16.063 -2.846 -0.068 1.00 3.20 H new ATOM 0 HD12 LEU A 60 16.227 -2.576 -1.820 1.00 3.20 H new ATOM 0 HD13 LEU A 60 16.875 -4.061 -1.083 1.00 3.20 H new ATOM 0 HD21 LEU A 60 18.030 -2.670 1.412 1.00 11.01 H new ATOM 0 HD22 LEU A 60 18.918 -3.878 0.453 1.00 11.01 H new ATOM 0 HD23 LEU A 60 19.629 -2.272 0.740 1.00 11.01 H new ATOM 987 N GLU A 61 17.477 -2.738 -4.684 1.00 32.24 N ATOM 988 CA GLU A 61 16.280 -3.095 -5.437 1.00 45.43 C ATOM 989 C GLU A 61 15.931 -4.567 -5.240 1.00 4.14 C ATOM 990 O GLU A 61 16.650 -5.453 -5.699 1.00 64.35 O ATOM 991 CB GLU A 61 16.483 -2.802 -6.926 1.00 35.44 C ATOM 992 CG GLU A 61 15.193 -2.483 -7.664 1.00 24.03 C ATOM 993 CD GLU A 61 15.366 -2.491 -9.170 1.00 63.12 C ATOM 994 OE1 GLU A 61 16.477 -2.817 -9.639 1.00 11.32 O ATOM 995 OE2 GLU A 61 14.390 -2.172 -9.880 1.00 51.34 O ATOM 0 H GLU A 61 18.303 -3.290 -4.917 1.00 32.24 H new ATOM 0 HA GLU A 61 15.453 -2.491 -5.064 1.00 45.43 H new ATOM 0 HB2 GLU A 61 17.170 -1.962 -7.032 1.00 35.44 H new ATOM 0 HB3 GLU A 61 16.957 -3.663 -7.396 1.00 35.44 H new ATOM 0 HG2 GLU A 61 14.430 -3.210 -7.386 1.00 24.03 H new ATOM 0 HG3 GLU A 61 14.831 -1.504 -7.349 1.00 24.03 H new ATOM 1002 N ALA A 62 14.823 -4.819 -4.551 1.00 54.34 N ATOM 1003 CA ALA A 62 14.377 -6.182 -4.294 1.00 33.34 C ATOM 1004 C ALA A 62 14.033 -6.902 -5.593 1.00 73.40 C ATOM 1005 O ALA A 62 13.079 -6.538 -6.281 1.00 22.24 O ATOM 1006 CB ALA A 62 13.177 -6.177 -3.357 1.00 65.22 C ATOM 0 H ALA A 62 14.218 -4.097 -4.161 1.00 54.34 H new ATOM 0 HA ALA A 62 15.195 -6.721 -3.817 1.00 33.34 H new ATOM 0 HB1 ALA A 62 12.854 -7.202 -3.174 1.00 65.22 H new ATOM 0 HB2 ALA A 62 13.455 -5.710 -2.412 1.00 65.22 H new ATOM 0 HB3 ALA A 62 12.361 -5.616 -3.813 1.00 65.22 H new ATOM 1012 N GLN A 63 14.816 -7.925 -5.923 1.00 14.51 N ATOM 1013 CA GLN A 63 14.593 -8.694 -7.141 1.00 64.13 C ATOM 1014 C GLN A 63 13.445 -9.681 -6.960 1.00 12.10 C ATOM 1015 O GLN A 63 12.766 -9.675 -5.934 1.00 12.02 O ATOM 1016 CB GLN A 63 15.867 -9.443 -7.536 1.00 64.01 C ATOM 1017 CG GLN A 63 16.491 -8.943 -8.829 1.00 70.22 C ATOM 1018 CD GLN A 63 15.499 -8.894 -9.975 1.00 0.25 C ATOM 1019 OE1 GLN A 63 15.195 -7.823 -10.502 1.00 64.52 O ATOM 1020 NE2 GLN A 63 14.988 -10.055 -10.366 1.00 31.22 N ATOM 0 H GLN A 63 15.609 -8.240 -5.364 1.00 14.51 H new ATOM 0 HA GLN A 63 14.327 -7.998 -7.936 1.00 64.13 H new ATOM 0 HB2 GLN A 63 16.596 -9.352 -6.731 1.00 64.01 H new ATOM 0 HB3 GLN A 63 15.638 -10.504 -7.639 1.00 64.01 H new ATOM 0 HG2 GLN A 63 16.903 -7.947 -8.668 1.00 70.22 H new ATOM 0 HG3 GLN A 63 17.323 -9.592 -9.101 1.00 70.22 H new ATOM 0 HE21 GLN A 63 15.268 -10.918 -9.901 1.00 31.22 H new ATOM 0 HE22 GLN A 63 14.315 -10.084 -11.132 1.00 31.22 H new ATOM 1029 N GLU A 64 13.234 -10.527 -7.964 1.00 14.34 N ATOM 1030 CA GLU A 64 12.166 -11.518 -7.914 1.00 72.51 C ATOM 1031 C GLU A 64 12.272 -12.370 -6.652 1.00 64.24 C ATOM 1032 O GLU A 64 11.395 -12.334 -5.789 1.00 63.51 O ATOM 1033 CB GLU A 64 12.214 -12.415 -9.153 1.00 41.23 C ATOM 1034 CG GLU A 64 11.281 -11.966 -10.265 1.00 72.54 C ATOM 1035 CD GLU A 64 10.682 -13.131 -11.030 1.00 21.44 C ATOM 1036 OE1 GLU A 64 11.457 -13.957 -11.557 1.00 14.41 O ATOM 1037 OE2 GLU A 64 9.438 -13.217 -11.100 1.00 21.44 O ATOM 0 H GLU A 64 13.788 -10.546 -8.820 1.00 14.34 H new ATOM 0 HA GLU A 64 11.214 -10.987 -7.894 1.00 72.51 H new ATOM 0 HB2 GLU A 64 13.235 -12.440 -9.534 1.00 41.23 H new ATOM 0 HB3 GLU A 64 11.957 -13.434 -8.864 1.00 41.23 H new ATOM 0 HG2 GLU A 64 10.478 -11.364 -9.840 1.00 72.54 H new ATOM 0 HG3 GLU A 64 11.828 -11.325 -10.956 1.00 72.54 H new ATOM 1044 N LYS A 65 13.353 -13.137 -6.553 1.00 2.42 N ATOM 1045 CA LYS A 65 13.577 -13.998 -5.398 1.00 3.23 C ATOM 1046 C LYS A 65 14.963 -13.763 -4.804 1.00 54.42 C ATOM 1047 O LYS A 65 15.626 -14.701 -4.363 1.00 3.34 O ATOM 1048 CB LYS A 65 13.424 -15.468 -5.794 1.00 54.13 C ATOM 1049 CG LYS A 65 14.037 -15.801 -7.143 1.00 75.15 C ATOM 1050 CD LYS A 65 15.552 -15.692 -7.110 1.00 13.51 C ATOM 1051 CE LYS A 65 16.190 -16.424 -8.280 1.00 74.42 C ATOM 1052 NZ LYS A 65 16.097 -15.640 -9.543 1.00 4.14 N ATOM 0 H LYS A 65 14.088 -13.180 -7.259 1.00 2.42 H new ATOM 0 HA LYS A 65 12.830 -13.751 -4.643 1.00 3.23 H new ATOM 0 HB2 LYS A 65 13.888 -16.092 -5.030 1.00 54.13 H new ATOM 0 HB3 LYS A 65 12.364 -15.722 -5.813 1.00 54.13 H new ATOM 0 HG2 LYS A 65 13.750 -16.812 -7.434 1.00 75.15 H new ATOM 0 HG3 LYS A 65 13.639 -15.126 -7.901 1.00 75.15 H new ATOM 0 HD2 LYS A 65 15.843 -14.642 -7.135 1.00 13.51 H new ATOM 0 HD3 LYS A 65 15.927 -16.105 -6.173 1.00 13.51 H new ATOM 0 HE2 LYS A 65 17.237 -16.626 -8.054 1.00 74.42 H new ATOM 0 HE3 LYS A 65 15.701 -17.389 -8.415 1.00 74.42 H new ATOM 0 HZ1 LYS A 65 16.543 -16.173 -10.316 1.00 4.14 H new ATOM 0 HZ2 LYS A 65 15.097 -15.469 -9.772 1.00 4.14 H new ATOM 0 HZ3 LYS A 65 16.586 -14.730 -9.423 1.00 4.14 H new ATOM 1066 N ARG A 66 15.392 -12.505 -4.796 1.00 1.11 N ATOM 1067 CA ARG A 66 16.698 -12.147 -4.256 1.00 63.21 C ATOM 1068 C ARG A 66 16.782 -10.648 -3.984 1.00 30.24 C ATOM 1069 O ARG A 66 15.881 -9.890 -4.343 1.00 42.14 O ATOM 1070 CB ARG A 66 17.806 -12.563 -5.226 1.00 52.32 C ATOM 1071 CG ARG A 66 17.861 -11.715 -6.487 1.00 21.14 C ATOM 1072 CD ARG A 66 19.037 -12.105 -7.369 1.00 54.00 C ATOM 1073 NE ARG A 66 19.588 -10.958 -8.085 1.00 2.54 N ATOM 1074 CZ ARG A 66 20.329 -11.063 -9.182 1.00 5.22 C ATOM 1075 NH1 ARG A 66 20.606 -12.257 -9.687 1.00 1.00 N ATOM 1076 NH2 ARG A 66 20.795 -9.972 -9.776 1.00 44.23 N ATOM 0 H ARG A 66 14.854 -11.717 -5.157 1.00 1.11 H new ATOM 0 HA ARG A 66 16.831 -12.678 -3.313 1.00 63.21 H new ATOM 0 HB2 ARG A 66 18.767 -12.502 -4.715 1.00 52.32 H new ATOM 0 HB3 ARG A 66 17.660 -13.606 -5.506 1.00 52.32 H new ATOM 0 HG2 ARG A 66 16.932 -11.830 -7.045 1.00 21.14 H new ATOM 0 HG3 ARG A 66 17.941 -10.662 -6.216 1.00 21.14 H new ATOM 0 HD2 ARG A 66 19.816 -12.558 -6.755 1.00 54.00 H new ATOM 0 HD3 ARG A 66 18.717 -12.861 -8.086 1.00 54.00 H new ATOM 0 HE ARG A 66 19.393 -10.025 -7.723 1.00 2.54 H new ATOM 0 HH11 ARG A 66 20.250 -13.098 -9.233 1.00 1.00 H new ATOM 0 HH12 ARG A 66 21.175 -12.335 -10.530 1.00 1.00 H new ATOM 0 HH21 ARG A 66 20.584 -9.052 -9.390 1.00 44.23 H new ATOM 0 HH22 ARG A 66 21.364 -10.054 -10.619 1.00 44.23 H new ATOM 1090 N PHE A 67 17.869 -10.228 -3.345 1.00 41.13 N ATOM 1091 CA PHE A 67 18.070 -8.820 -3.023 1.00 1.01 C ATOM 1092 C PHE A 67 19.432 -8.339 -3.514 1.00 42.42 C ATOM 1093 O PHE A 67 20.413 -9.084 -3.492 1.00 14.52 O ATOM 1094 CB PHE A 67 17.952 -8.599 -1.514 1.00 3.45 C ATOM 1095 CG PHE A 67 16.629 -8.026 -1.093 1.00 50.32 C ATOM 1096 CD1 PHE A 67 15.565 -8.858 -0.786 1.00 72.12 C ATOM 1097 CD2 PHE A 67 16.449 -6.655 -1.006 1.00 2.44 C ATOM 1098 CE1 PHE A 67 14.346 -8.334 -0.399 1.00 32.14 C ATOM 1099 CE2 PHE A 67 15.233 -6.125 -0.618 1.00 51.02 C ATOM 1100 CZ PHE A 67 14.180 -6.966 -0.316 1.00 15.34 C ATOM 0 H PHE A 67 18.624 -10.842 -3.040 1.00 41.13 H new ATOM 0 HA PHE A 67 17.296 -8.243 -3.530 1.00 1.01 H new ATOM 0 HB2 PHE A 67 18.106 -9.549 -1.003 1.00 3.45 H new ATOM 0 HB3 PHE A 67 18.749 -7.929 -1.190 1.00 3.45 H new ATOM 0 HD1 PHE A 67 15.689 -9.929 -0.850 1.00 72.12 H new ATOM 0 HD2 PHE A 67 17.268 -5.993 -1.244 1.00 2.44 H new ATOM 0 HE1 PHE A 67 13.525 -8.994 -0.162 1.00 32.14 H new ATOM 0 HE2 PHE A 67 15.106 -5.055 -0.551 1.00 51.02 H new ATOM 0 HZ PHE A 67 13.228 -6.554 -0.015 1.00 15.34 H new ATOM 1110 N THR A 68 19.486 -7.087 -3.959 1.00 12.22 N ATOM 1111 CA THR A 68 20.726 -6.505 -4.457 1.00 74.34 C ATOM 1112 C THR A 68 20.859 -5.047 -4.033 1.00 31.44 C ATOM 1113 O THR A 68 19.900 -4.279 -4.106 1.00 53.03 O ATOM 1114 CB THR A 68 20.808 -6.590 -5.993 1.00 62.22 C ATOM 1115 OG1 THR A 68 22.045 -6.030 -6.449 1.00 55.30 O ATOM 1116 CG2 THR A 68 19.644 -5.855 -6.639 1.00 75.23 C ATOM 0 H THR A 68 18.685 -6.457 -3.984 1.00 12.22 H new ATOM 0 HA THR A 68 21.543 -7.082 -4.023 1.00 74.34 H new ATOM 0 HB THR A 68 20.757 -7.640 -6.280 1.00 62.22 H new ATOM 0 HG1 THR A 68 22.090 -6.089 -7.426 1.00 55.30 H new ATOM 0 HG21 THR A 68 19.724 -5.929 -7.724 1.00 75.23 H new ATOM 0 HG22 THR A 68 18.705 -6.302 -6.313 1.00 75.23 H new ATOM 0 HG23 THR A 68 19.668 -4.806 -6.344 1.00 75.23 H new ATOM 1124 N TYR A 69 22.053 -4.672 -3.589 1.00 24.44 N ATOM 1125 CA TYR A 69 22.311 -3.306 -3.150 1.00 44.01 C ATOM 1126 C TYR A 69 23.489 -2.703 -3.910 1.00 73.04 C ATOM 1127 O TYR A 69 24.172 -3.393 -4.667 1.00 42.10 O ATOM 1128 CB TYR A 69 22.591 -3.275 -1.647 1.00 1.34 C ATOM 1129 CG TYR A 69 23.960 -3.797 -1.274 1.00 62.24 C ATOM 1130 CD1 TYR A 69 24.281 -5.139 -1.437 1.00 70.34 C ATOM 1131 CD2 TYR A 69 24.933 -2.949 -0.759 1.00 33.31 C ATOM 1132 CE1 TYR A 69 25.530 -5.621 -1.098 1.00 64.51 C ATOM 1133 CE2 TYR A 69 26.185 -3.422 -0.418 1.00 60.33 C ATOM 1134 CZ TYR A 69 26.479 -4.759 -0.589 1.00 60.05 C ATOM 1135 OH TYR A 69 27.725 -5.234 -0.250 1.00 70.40 O ATOM 0 H TYR A 69 22.858 -5.295 -3.524 1.00 24.44 H new ATOM 0 HA TYR A 69 21.423 -2.710 -3.360 1.00 44.01 H new ATOM 0 HB2 TYR A 69 22.492 -2.250 -1.289 1.00 1.34 H new ATOM 0 HB3 TYR A 69 21.834 -3.867 -1.133 1.00 1.34 H new ATOM 0 HD1 TYR A 69 23.541 -5.817 -1.836 1.00 70.34 H new ATOM 0 HD2 TYR A 69 24.706 -1.902 -0.623 1.00 33.31 H new ATOM 0 HE1 TYR A 69 25.762 -6.667 -1.231 1.00 64.51 H new ATOM 0 HE2 TYR A 69 26.930 -2.749 -0.020 1.00 60.33 H new ATOM 0 HH TYR A 69 28.377 -4.503 -0.294 1.00 70.40 H new ATOM 1145 N ARG A 70 23.719 -1.411 -3.703 1.00 3.23 N ATOM 1146 CA ARG A 70 24.813 -0.713 -4.368 1.00 60.30 C ATOM 1147 C ARG A 70 25.410 0.356 -3.457 1.00 71.33 C ATOM 1148 O ARG A 70 24.731 0.886 -2.578 1.00 10.22 O ATOM 1149 CB ARG A 70 24.323 -0.075 -5.669 1.00 14.53 C ATOM 1150 CG ARG A 70 23.466 -1.001 -6.517 1.00 2.52 C ATOM 1151 CD ARG A 70 23.401 -0.531 -7.962 1.00 25.41 C ATOM 1152 NE ARG A 70 22.491 -1.346 -8.762 1.00 34.24 N ATOM 1153 CZ ARG A 70 21.167 -1.271 -8.674 1.00 4.54 C ATOM 1154 NH1 ARG A 70 20.603 -0.421 -7.826 1.00 25.21 N ATOM 1155 NH2 ARG A 70 20.405 -2.045 -9.435 1.00 62.20 N ATOM 0 H ARG A 70 23.162 -0.826 -3.080 1.00 3.23 H new ATOM 0 HA ARG A 70 25.589 -1.443 -4.599 1.00 60.30 H new ATOM 0 HB2 ARG A 70 23.749 0.821 -5.431 1.00 14.53 H new ATOM 0 HB3 ARG A 70 25.185 0.245 -6.254 1.00 14.53 H new ATOM 0 HG2 ARG A 70 23.873 -2.011 -6.480 1.00 2.52 H new ATOM 0 HG3 ARG A 70 22.459 -1.048 -6.103 1.00 2.52 H new ATOM 0 HD2 ARG A 70 23.076 0.509 -7.991 1.00 25.41 H new ATOM 0 HD3 ARG A 70 24.399 -0.566 -8.400 1.00 25.41 H new ATOM 0 HE ARG A 70 22.893 -2.009 -9.424 1.00 34.24 H new ATOM 0 HH11 ARG A 70 21.186 0.177 -7.240 1.00 25.21 H new ATOM 0 HH12 ARG A 70 19.587 -0.365 -7.760 1.00 25.21 H new ATOM 0 HH21 ARG A 70 20.835 -2.699 -10.089 1.00 62.20 H new ATOM 0 HH22 ARG A 70 19.389 -1.986 -9.366 1.00 62.20 H new ATOM 1169 N TYR A 71 26.683 0.666 -3.674 1.00 41.31 N ATOM 1170 CA TYR A 71 27.372 1.669 -2.871 1.00 45.43 C ATOM 1171 C TYR A 71 27.259 3.050 -3.510 1.00 43.31 C ATOM 1172 O TYR A 71 27.739 3.272 -4.622 1.00 13.44 O ATOM 1173 CB TYR A 71 28.845 1.293 -2.701 1.00 43.05 C ATOM 1174 CG TYR A 71 29.057 0.013 -1.925 1.00 5.22 C ATOM 1175 CD1 TYR A 71 28.822 -0.039 -0.556 1.00 44.12 C ATOM 1176 CD2 TYR A 71 29.494 -1.143 -2.559 1.00 32.41 C ATOM 1177 CE1 TYR A 71 29.016 -1.206 0.158 1.00 54.32 C ATOM 1178 CE2 TYR A 71 29.688 -2.315 -1.853 1.00 42.12 C ATOM 1179 CZ TYR A 71 29.448 -2.341 -0.495 1.00 70.12 C ATOM 1180 OH TYR A 71 29.642 -3.506 0.212 1.00 52.25 O ATOM 0 H TYR A 71 27.259 0.237 -4.399 1.00 41.31 H new ATOM 0 HA TYR A 71 26.897 1.702 -1.891 1.00 45.43 H new ATOM 0 HB2 TYR A 71 29.301 1.191 -3.686 1.00 43.05 H new ATOM 0 HB3 TYR A 71 29.363 2.106 -2.193 1.00 43.05 H new ATOM 0 HD1 TYR A 71 28.482 0.848 -0.042 1.00 44.12 H new ATOM 0 HD2 TYR A 71 29.685 -1.126 -3.622 1.00 32.41 H new ATOM 0 HE1 TYR A 71 28.830 -1.229 1.222 1.00 54.32 H new ATOM 0 HE2 TYR A 71 30.026 -3.206 -2.362 1.00 42.12 H new ATOM 0 HH TYR A 71 29.212 -3.432 1.089 1.00 52.25 H new ATOM 1190 N GLN A 72 26.622 3.974 -2.798 1.00 1.00 N ATOM 1191 CA GLN A 72 26.445 5.333 -3.295 1.00 4.53 C ATOM 1192 C GLN A 72 26.739 6.355 -2.201 1.00 12.10 C ATOM 1193 O GLN A 72 26.061 6.392 -1.174 1.00 11.31 O ATOM 1194 CB GLN A 72 25.022 5.526 -3.820 1.00 51.03 C ATOM 1195 CG GLN A 72 24.642 4.548 -4.920 1.00 71.21 C ATOM 1196 CD GLN A 72 23.481 5.039 -5.762 1.00 71.33 C ATOM 1197 OE1 GLN A 72 22.670 5.848 -5.311 1.00 33.53 O ATOM 1198 NE2 GLN A 72 23.395 4.551 -6.994 1.00 42.14 N ATOM 0 H GLN A 72 26.220 3.806 -1.876 1.00 1.00 H new ATOM 0 HA GLN A 72 27.150 5.489 -4.112 1.00 4.53 H new ATOM 0 HB2 GLN A 72 24.321 5.420 -2.992 1.00 51.03 H new ATOM 0 HB3 GLN A 72 24.918 6.543 -4.198 1.00 51.03 H new ATOM 0 HG2 GLN A 72 25.505 4.377 -5.563 1.00 71.21 H new ATOM 0 HG3 GLN A 72 24.382 3.588 -4.474 1.00 71.21 H new ATOM 0 HE21 GLN A 72 24.089 3.882 -7.327 1.00 42.14 H new ATOM 0 HE22 GLN A 72 22.635 4.845 -7.607 1.00 42.14 H new ATOM 1207 N PHE A 73 27.754 7.183 -2.428 1.00 35.40 N ATOM 1208 CA PHE A 73 28.138 8.204 -1.461 1.00 52.40 C ATOM 1209 C PHE A 73 27.452 9.532 -1.771 1.00 62.20 C ATOM 1210 O PHE A 73 27.019 9.771 -2.897 1.00 44.44 O ATOM 1211 CB PHE A 73 29.657 8.390 -1.460 1.00 34.13 C ATOM 1212 CG PHE A 73 30.390 7.325 -0.696 1.00 30.23 C ATOM 1213 CD1 PHE A 73 30.579 6.066 -1.244 1.00 44.51 C ATOM 1214 CD2 PHE A 73 30.890 7.582 0.570 1.00 23.14 C ATOM 1215 CE1 PHE A 73 31.253 5.084 -0.543 1.00 2.51 C ATOM 1216 CE2 PHE A 73 31.565 6.604 1.276 1.00 24.24 C ATOM 1217 CZ PHE A 73 31.748 5.354 0.718 1.00 32.23 C ATOM 0 H PHE A 73 28.325 7.166 -3.273 1.00 35.40 H new ATOM 0 HA PHE A 73 27.819 7.872 -0.473 1.00 52.40 H new ATOM 0 HB2 PHE A 73 30.015 8.399 -2.490 1.00 34.13 H new ATOM 0 HB3 PHE A 73 29.896 9.363 -1.031 1.00 34.13 H new ATOM 0 HD1 PHE A 73 30.195 5.850 -2.230 1.00 44.51 H new ATOM 0 HD2 PHE A 73 30.751 8.558 1.011 1.00 23.14 H new ATOM 0 HE1 PHE A 73 31.393 4.107 -0.981 1.00 2.51 H new ATOM 0 HE2 PHE A 73 31.949 6.817 2.263 1.00 24.24 H new ATOM 0 HZ PHE A 73 32.277 4.589 1.267 1.00 32.23 H new ATOM 1227 N GLY A 74 27.357 10.392 -0.761 1.00 72.14 N ATOM 1228 CA GLY A 74 26.723 11.684 -0.945 1.00 55.23 C ATOM 1229 C GLY A 74 26.636 12.476 0.344 1.00 1.32 C ATOM 1230 O GLY A 74 27.547 12.430 1.172 1.00 0.51 O ATOM 0 H GLY A 74 27.708 10.217 0.181 1.00 72.14 H new ATOM 0 HA2 GLY A 74 27.283 12.258 -1.683 1.00 55.23 H new ATOM 0 HA3 GLY A 74 25.720 11.539 -1.347 1.00 55.23 H new ATOM 1234 N LEU A 75 25.540 13.206 0.516 1.00 55.22 N ATOM 1235 CA LEU A 75 25.338 14.014 1.714 1.00 52.04 C ATOM 1236 C LEU A 75 23.865 14.041 2.111 1.00 43.25 C ATOM 1237 O LEU A 75 22.980 14.029 1.254 1.00 4.05 O ATOM 1238 CB LEU A 75 25.842 15.440 1.482 1.00 33.31 C ATOM 1239 CG LEU A 75 25.408 16.481 2.515 1.00 70.15 C ATOM 1240 CD1 LEU A 75 26.509 17.508 2.732 1.00 75.31 C ATOM 1241 CD2 LEU A 75 24.120 17.162 2.076 1.00 34.24 C ATOM 0 H LEU A 75 24.777 13.255 -0.159 1.00 55.22 H new ATOM 0 HA LEU A 75 25.906 13.562 2.527 1.00 52.04 H new ATOM 0 HB2 LEU A 75 26.931 15.419 1.452 1.00 33.31 H new ATOM 0 HB3 LEU A 75 25.503 15.769 0.500 1.00 33.31 H new ATOM 0 HG LEU A 75 25.222 15.972 3.461 1.00 70.15 H new ATOM 0 HD11 LEU A 75 26.183 18.241 3.470 1.00 75.31 H new ATOM 0 HD12 LEU A 75 27.408 17.007 3.091 1.00 75.31 H new ATOM 0 HD13 LEU A 75 26.726 18.013 1.791 1.00 75.31 H new ATOM 0 HD21 LEU A 75 23.826 17.900 2.823 1.00 34.24 H new ATOM 0 HD22 LEU A 75 24.279 17.658 1.119 1.00 34.24 H new ATOM 0 HD23 LEU A 75 23.332 16.417 1.972 1.00 34.24 H new ATOM 1253 N PHE A 76 23.610 14.080 3.414 1.00 12.10 N ATOM 1254 CA PHE A 76 22.244 14.110 3.925 1.00 42.51 C ATOM 1255 C PHE A 76 21.850 15.525 4.339 1.00 11.13 C ATOM 1256 O PHE A 76 22.137 15.959 5.455 1.00 14.31 O ATOM 1257 CB PHE A 76 22.101 13.160 5.115 1.00 21.31 C ATOM 1258 CG PHE A 76 20.776 13.268 5.813 1.00 55.11 C ATOM 1259 CD1 PHE A 76 19.626 12.762 5.228 1.00 62.21 C ATOM 1260 CD2 PHE A 76 20.679 13.877 7.054 1.00 72.11 C ATOM 1261 CE1 PHE A 76 18.405 12.860 5.868 1.00 73.45 C ATOM 1262 CE2 PHE A 76 19.460 13.977 7.698 1.00 3.24 C ATOM 1263 CZ PHE A 76 18.322 13.469 7.104 1.00 13.10 C ATOM 0 H PHE A 76 24.331 14.092 4.136 1.00 12.10 H new ATOM 0 HA PHE A 76 21.577 13.784 3.127 1.00 42.51 H new ATOM 0 HB2 PHE A 76 22.238 12.135 4.770 1.00 21.31 H new ATOM 0 HB3 PHE A 76 22.897 13.365 5.831 1.00 21.31 H new ATOM 0 HD1 PHE A 76 19.685 12.285 4.261 1.00 62.21 H new ATOM 0 HD2 PHE A 76 21.565 14.278 7.523 1.00 72.11 H new ATOM 0 HE1 PHE A 76 17.517 12.460 5.402 1.00 73.45 H new ATOM 0 HE2 PHE A 76 19.398 14.452 8.666 1.00 3.24 H new ATOM 0 HZ PHE A 76 17.369 13.548 7.605 1.00 13.10 H new ATOM 1273 N ASP A 77 21.192 16.239 3.433 1.00 74.34 N ATOM 1274 CA ASP A 77 20.757 17.604 3.703 1.00 51.22 C ATOM 1275 C ASP A 77 19.575 17.618 4.667 1.00 72.50 C ATOM 1276 O ASP A 77 19.012 16.572 4.991 1.00 22.52 O ATOM 1277 CB ASP A 77 20.376 18.308 2.399 1.00 11.14 C ATOM 1278 CG ASP A 77 21.385 19.365 1.996 1.00 63.35 C ATOM 1279 OD1 ASP A 77 21.496 20.383 2.710 1.00 71.21 O ATOM 1280 OD2 ASP A 77 22.064 19.174 0.965 1.00 62.14 O ATOM 0 H ASP A 77 20.948 15.895 2.504 1.00 74.34 H new ATOM 0 HA ASP A 77 21.587 18.138 4.167 1.00 51.22 H new ATOM 0 HB2 ASP A 77 20.290 17.569 1.602 1.00 11.14 H new ATOM 0 HB3 ASP A 77 19.395 18.770 2.512 1.00 11.14 H new ATOM 1285 N LYS A 78 19.203 18.809 5.123 1.00 24.12 N ATOM 1286 CA LYS A 78 18.088 18.960 6.050 1.00 4.14 C ATOM 1287 C LYS A 78 16.757 18.944 5.307 1.00 54.11 C ATOM 1288 O LYS A 78 15.721 18.603 5.878 1.00 64.10 O ATOM 1289 CB LYS A 78 18.228 20.263 6.840 1.00 1.51 C ATOM 1290 CG LYS A 78 17.990 21.509 6.005 1.00 44.45 C ATOM 1291 CD LYS A 78 18.645 22.731 6.627 1.00 51.42 C ATOM 1292 CE LYS A 78 20.153 22.716 6.431 1.00 2.22 C ATOM 1293 NZ LYS A 78 20.723 24.092 6.407 1.00 23.30 N ATOM 0 H LYS A 78 19.658 19.685 4.865 1.00 24.12 H new ATOM 0 HA LYS A 78 18.107 18.119 6.743 1.00 4.14 H new ATOM 0 HB2 LYS A 78 17.522 20.252 7.671 1.00 1.51 H new ATOM 0 HB3 LYS A 78 19.228 20.311 7.272 1.00 1.51 H new ATOM 0 HG2 LYS A 78 18.384 21.356 5.000 1.00 44.45 H new ATOM 0 HG3 LYS A 78 16.918 21.681 5.904 1.00 44.45 H new ATOM 0 HD2 LYS A 78 18.228 23.635 6.182 1.00 51.42 H new ATOM 0 HD3 LYS A 78 18.416 22.765 7.692 1.00 51.42 H new ATOM 0 HE2 LYS A 78 20.618 22.144 7.234 1.00 2.22 H new ATOM 0 HE3 LYS A 78 20.393 22.207 5.497 1.00 2.22 H new ATOM 0 HZ1 LYS A 78 20.998 24.337 5.434 1.00 23.30 H new ATOM 0 HZ2 LYS A 78 20.010 24.769 6.747 1.00 23.30 H new ATOM 0 HZ3 LYS A 78 21.560 24.132 7.023 1.00 23.30 H new ATOM 1307 N GLU A 79 16.792 19.314 4.031 1.00 71.15 N ATOM 1308 CA GLU A 79 15.587 19.341 3.210 1.00 33.31 C ATOM 1309 C GLU A 79 15.208 17.935 2.754 1.00 73.23 C ATOM 1310 O GLU A 79 14.129 17.719 2.203 1.00 62.22 O ATOM 1311 CB GLU A 79 15.791 20.246 1.993 1.00 23.24 C ATOM 1312 CG GLU A 79 16.363 21.611 2.339 1.00 35.33 C ATOM 1313 CD GLU A 79 16.512 22.506 1.124 1.00 31.43 C ATOM 1314 OE1 GLU A 79 16.747 21.973 0.020 1.00 62.02 O ATOM 1315 OE2 GLU A 79 16.393 23.739 1.279 1.00 40.22 O ATOM 0 H GLU A 79 17.641 19.599 3.543 1.00 71.15 H new ATOM 0 HA GLU A 79 14.774 19.739 3.817 1.00 33.31 H new ATOM 0 HB2 GLU A 79 16.459 19.749 1.289 1.00 23.24 H new ATOM 0 HB3 GLU A 79 14.836 20.380 1.486 1.00 23.24 H new ATOM 0 HG2 GLU A 79 15.715 22.098 3.067 1.00 35.33 H new ATOM 0 HG3 GLU A 79 17.336 21.483 2.813 1.00 35.33 H new ATOM 1322 N GLY A 80 16.104 16.981 2.987 1.00 5.13 N ATOM 1323 CA GLY A 80 15.847 15.608 2.594 1.00 52.22 C ATOM 1324 C GLY A 80 15.907 15.415 1.092 1.00 71.34 C ATOM 1325 O GLY A 80 15.381 14.436 0.564 1.00 71.22 O ATOM 0 H GLY A 80 17.004 17.135 3.441 1.00 5.13 H new ATOM 0 HA2 GLY A 80 16.577 14.954 3.071 1.00 52.22 H new ATOM 0 HA3 GLY A 80 14.864 15.307 2.957 1.00 52.22 H new ATOM 1329 N ASN A 81 16.549 16.351 0.401 1.00 53.50 N ATOM 1330 CA ASN A 81 16.674 16.280 -1.050 1.00 55.53 C ATOM 1331 C ASN A 81 18.026 15.701 -1.452 1.00 44.13 C ATOM 1332 O ASN A 81 18.978 15.722 -0.672 1.00 45.53 O ATOM 1333 CB ASN A 81 16.498 17.670 -1.667 1.00 34.32 C ATOM 1334 CG ASN A 81 15.041 18.080 -1.761 1.00 53.13 C ATOM 1335 OD1 ASN A 81 14.430 18.002 -2.828 1.00 3.25 O ATOM 1336 ND2 ASN A 81 14.477 18.520 -0.643 1.00 15.43 N ATOM 0 H ASN A 81 16.991 17.168 0.823 1.00 53.50 H new ATOM 0 HA ASN A 81 15.891 15.621 -1.425 1.00 55.53 H new ATOM 0 HB2 ASN A 81 17.041 18.402 -1.068 1.00 34.32 H new ATOM 0 HB3 ASN A 81 16.941 17.681 -2.663 1.00 34.32 H new ATOM 0 HD21 ASN A 81 13.499 18.810 -0.645 1.00 15.43 H new ATOM 0 HD22 ASN A 81 15.021 18.568 0.218 1.00 15.43 H new ATOM 1343 N TRP A 82 18.103 15.185 -2.674 1.00 2.04 N ATOM 1344 CA TRP A 82 19.340 14.600 -3.180 1.00 12.34 C ATOM 1345 C TRP A 82 20.402 15.673 -3.394 1.00 13.33 C ATOM 1346 O TRP A 82 20.195 16.625 -4.148 1.00 32.32 O ATOM 1347 CB TRP A 82 19.077 13.856 -4.490 1.00 44.31 C ATOM 1348 CG TRP A 82 20.327 13.355 -5.149 1.00 52.21 C ATOM 1349 CD1 TRP A 82 21.035 12.235 -4.819 1.00 1.33 C ATOM 1350 CD2 TRP A 82 21.016 13.958 -6.250 1.00 31.11 C ATOM 1351 NE1 TRP A 82 22.123 12.105 -5.648 1.00 1.52 N ATOM 1352 CE2 TRP A 82 22.133 13.149 -6.535 1.00 43.01 C ATOM 1353 CE3 TRP A 82 20.797 15.101 -7.024 1.00 32.33 C ATOM 1354 CZ2 TRP A 82 23.027 13.449 -7.560 1.00 1.24 C ATOM 1355 CZ3 TRP A 82 21.685 15.397 -8.040 1.00 11.41 C ATOM 1356 CH2 TRP A 82 22.788 14.574 -8.301 1.00 43.22 C ATOM 0 H TRP A 82 17.324 15.160 -3.332 1.00 2.04 H new ATOM 0 HA TRP A 82 19.710 13.893 -2.437 1.00 12.34 H new ATOM 0 HB2 TRP A 82 18.415 13.013 -4.294 1.00 44.31 H new ATOM 0 HB3 TRP A 82 18.553 14.520 -5.178 1.00 44.31 H new ATOM 0 HD1 TRP A 82 20.778 11.552 -4.023 1.00 1.33 H new ATOM 0 HE1 TRP A 82 22.811 11.353 -5.609 1.00 1.52 H new ATOM 0 HE3 TRP A 82 19.949 15.741 -6.831 1.00 32.33 H new ATOM 0 HZ2 TRP A 82 23.878 12.816 -7.763 1.00 1.24 H new ATOM 0 HZ3 TRP A 82 21.526 16.278 -8.644 1.00 11.41 H new ATOM 0 HH2 TRP A 82 23.463 14.833 -9.103 1.00 43.22 H new ATOM 1367 N THR A 83 21.540 15.515 -2.726 1.00 23.22 N ATOM 1368 CA THR A 83 22.634 16.471 -2.843 1.00 22.34 C ATOM 1369 C THR A 83 23.986 15.773 -2.747 1.00 43.25 C ATOM 1370 O THR A 83 24.365 15.273 -1.688 1.00 41.12 O ATOM 1371 CB THR A 83 22.551 17.556 -1.752 1.00 61.43 C ATOM 1372 OG1 THR A 83 21.192 17.971 -1.577 1.00 31.42 O ATOM 1373 CG2 THR A 83 23.410 18.757 -2.117 1.00 63.34 C ATOM 0 H THR A 83 21.728 14.734 -2.098 1.00 23.22 H new ATOM 0 HA THR A 83 22.539 16.942 -3.822 1.00 22.34 H new ATOM 0 HB THR A 83 22.924 17.132 -0.820 1.00 61.43 H new ATOM 0 HG1 THR A 83 21.102 18.444 -0.723 1.00 31.42 H new ATOM 0 HG21 THR A 83 23.335 19.510 -1.332 1.00 63.34 H new ATOM 0 HG22 THR A 83 24.449 18.443 -2.221 1.00 63.34 H new ATOM 0 HG23 THR A 83 23.062 19.180 -3.060 1.00 63.34 H new ATOM 1381 N VAL A 84 24.712 15.744 -3.861 1.00 75.32 N ATOM 1382 CA VAL A 84 26.023 15.109 -3.903 1.00 23.34 C ATOM 1383 C VAL A 84 27.137 16.137 -3.742 1.00 0.41 C ATOM 1384 O VAL A 84 27.260 17.065 -4.541 1.00 51.53 O ATOM 1385 CB VAL A 84 26.234 14.342 -5.222 1.00 23.24 C ATOM 1386 CG1 VAL A 84 25.330 13.120 -5.280 1.00 0.15 C ATOM 1387 CG2 VAL A 84 25.988 15.255 -6.413 1.00 60.44 C ATOM 0 H VAL A 84 24.413 16.153 -4.746 1.00 75.32 H new ATOM 0 HA VAL A 84 26.060 14.404 -3.072 1.00 23.34 H new ATOM 0 HB VAL A 84 27.268 14.000 -5.263 1.00 23.24 H new ATOM 0 HG11 VAL A 84 25.493 12.591 -6.219 1.00 0.15 H new ATOM 0 HG12 VAL A 84 25.560 12.457 -4.445 1.00 0.15 H new ATOM 0 HG13 VAL A 84 24.288 13.435 -5.217 1.00 0.15 H new ATOM 0 HG21 VAL A 84 26.141 14.697 -7.337 1.00 60.44 H new ATOM 0 HG22 VAL A 84 24.964 15.628 -6.380 1.00 60.44 H new ATOM 0 HG23 VAL A 84 26.682 16.095 -6.377 1.00 60.44 H new ATOM 1397 N VAL A 85 27.948 15.966 -2.703 1.00 11.04 N ATOM 1398 CA VAL A 85 29.054 16.879 -2.437 1.00 74.50 C ATOM 1399 C VAL A 85 30.316 16.115 -2.053 1.00 10.15 C ATOM 1400 O VAL A 85 30.266 14.970 -1.604 1.00 22.34 O ATOM 1401 CB VAL A 85 28.704 17.871 -1.312 1.00 45.12 C ATOM 1402 CG1 VAL A 85 27.940 19.062 -1.869 1.00 51.21 C ATOM 1403 CG2 VAL A 85 27.905 17.178 -0.219 1.00 61.54 C ATOM 0 H VAL A 85 27.860 15.203 -2.031 1.00 11.04 H new ATOM 0 HA VAL A 85 29.235 17.435 -3.357 1.00 74.50 H new ATOM 0 HB VAL A 85 29.632 18.238 -0.874 1.00 45.12 H new ATOM 0 HG11 VAL A 85 27.701 19.752 -1.060 1.00 51.21 H new ATOM 0 HG12 VAL A 85 28.553 19.572 -2.612 1.00 51.21 H new ATOM 0 HG13 VAL A 85 27.017 18.717 -2.335 1.00 51.21 H new ATOM 0 HG21 VAL A 85 27.667 17.894 0.567 1.00 61.54 H new ATOM 0 HG22 VAL A 85 26.981 16.781 -0.640 1.00 61.54 H new ATOM 0 HG23 VAL A 85 28.493 16.362 0.200 1.00 61.54 H new ATOM 1413 N PRO A 86 31.477 16.763 -2.231 1.00 72.13 N ATOM 1414 CA PRO A 86 32.775 16.164 -1.908 1.00 43.32 C ATOM 1415 C PRO A 86 32.983 16.005 -0.406 1.00 13.31 C ATOM 1416 O PRO A 86 32.463 16.790 0.388 1.00 4.31 O ATOM 1417 CB PRO A 86 33.780 17.165 -2.484 1.00 3.22 C ATOM 1418 CG PRO A 86 33.053 18.465 -2.500 1.00 41.31 C ATOM 1419 CD PRO A 86 31.611 18.130 -2.762 1.00 71.11 C ATOM 0 HA PRO A 86 32.872 15.158 -2.316 1.00 43.32 H new ATOM 0 HB2 PRO A 86 34.679 17.222 -1.870 1.00 3.22 H new ATOM 0 HB3 PRO A 86 34.096 16.876 -3.486 1.00 3.22 H new ATOM 0 HG2 PRO A 86 33.166 18.987 -1.550 1.00 41.31 H new ATOM 0 HG3 PRO A 86 33.448 19.123 -3.274 1.00 41.31 H new ATOM 0 HD2 PRO A 86 30.939 18.825 -2.258 1.00 71.11 H new ATOM 0 HD3 PRO A 86 31.375 18.173 -3.825 1.00 71.11 H new ATOM 1427 N ILE A 87 33.744 14.986 -0.023 1.00 43.11 N ATOM 1428 CA ILE A 87 34.021 14.726 1.384 1.00 11.22 C ATOM 1429 C ILE A 87 35.317 15.399 1.823 1.00 0.01 C ATOM 1430 O ILE A 87 36.398 15.056 1.347 1.00 42.12 O ATOM 1431 CB ILE A 87 34.118 13.216 1.669 1.00 34.23 C ATOM 1432 CG1 ILE A 87 32.830 12.510 1.240 1.00 71.05 C ATOM 1433 CG2 ILE A 87 34.394 12.972 3.145 1.00 3.14 C ATOM 1434 CD1 ILE A 87 31.604 12.979 1.991 1.00 11.31 C ATOM 0 H ILE A 87 34.180 14.327 -0.668 1.00 43.11 H new ATOM 0 HA ILE A 87 33.188 15.142 1.951 1.00 11.22 H new ATOM 0 HB ILE A 87 34.946 12.805 1.091 1.00 34.23 H new ATOM 0 HG12 ILE A 87 32.676 12.670 0.173 1.00 71.05 H new ATOM 0 HG13 ILE A 87 32.948 11.436 1.387 1.00 71.05 H new ATOM 0 HG21 ILE A 87 34.460 11.900 3.330 1.00 3.14 H new ATOM 0 HG22 ILE A 87 35.335 13.447 3.422 1.00 3.14 H new ATOM 0 HG23 ILE A 87 33.585 13.394 3.741 1.00 3.14 H new ATOM 0 HD11 ILE A 87 30.729 12.435 1.635 1.00 11.31 H new ATOM 0 HD12 ILE A 87 31.737 12.794 3.057 1.00 11.31 H new ATOM 0 HD13 ILE A 87 31.461 14.047 1.824 1.00 11.31 H new ATOM 1446 N ASN A 88 35.200 16.358 2.736 1.00 71.02 N ATOM 1447 CA ASN A 88 36.363 17.079 3.241 1.00 70.33 C ATOM 1448 C ASN A 88 36.989 16.342 4.421 1.00 42.10 C ATOM 1449 O ASN A 88 36.306 15.624 5.149 1.00 32.54 O ATOM 1450 CB ASN A 88 35.968 18.496 3.661 1.00 32.21 C ATOM 1451 CG ASN A 88 36.003 19.474 2.502 1.00 21.44 C ATOM 1452 OD1 ASN A 88 36.792 19.320 1.570 1.00 3.21 O ATOM 1453 ND2 ASN A 88 35.146 20.486 2.557 1.00 54.14 N ATOM 0 H ASN A 88 34.312 16.654 3.141 1.00 71.02 H new ATOM 0 HA ASN A 88 37.100 17.137 2.440 1.00 70.33 H new ATOM 0 HB2 ASN A 88 34.965 18.479 4.088 1.00 32.21 H new ATOM 0 HB3 ASN A 88 36.643 18.841 4.444 1.00 32.21 H new ATOM 0 HD21 ASN A 88 35.123 21.176 1.806 1.00 54.14 H new ATOM 0 HD22 ASN A 88 34.510 20.573 3.350 1.00 54.14 H new ATOM 1460 N GLU A 89 38.293 16.527 4.603 1.00 40.32 N ATOM 1461 CA GLU A 89 39.011 15.880 5.694 1.00 31.05 C ATOM 1462 C GLU A 89 38.978 14.362 5.543 1.00 73.11 C ATOM 1463 O GLU A 89 37.960 13.721 5.808 1.00 54.54 O ATOM 1464 CB GLU A 89 38.406 16.282 7.041 1.00 4.33 C ATOM 1465 CG GLU A 89 39.403 16.932 7.986 1.00 23.33 C ATOM 1466 CD GLU A 89 39.717 18.366 7.608 1.00 50.23 C ATOM 1467 OE1 GLU A 89 39.447 18.746 6.449 1.00 70.32 O ATOM 1468 OE2 GLU A 89 40.232 19.109 8.469 1.00 22.32 O ATOM 0 H GLU A 89 38.873 17.119 4.009 1.00 40.32 H new ATOM 0 HA GLU A 89 40.049 16.209 5.657 1.00 31.05 H new ATOM 0 HB2 GLU A 89 37.580 16.972 6.867 1.00 4.33 H new ATOM 0 HB3 GLU A 89 37.987 15.397 7.520 1.00 4.33 H new ATOM 0 HG2 GLU A 89 39.006 16.907 9.001 1.00 23.33 H new ATOM 0 HG3 GLU A 89 40.325 16.351 7.990 1.00 23.33 H new ATOM 1475 N THR A 90 40.099 13.791 5.114 1.00 3.11 N ATOM 1476 CA THR A 90 40.199 12.349 4.925 1.00 3.50 C ATOM 1477 C THR A 90 39.811 11.600 6.194 1.00 15.23 C ATOM 1478 O THR A 90 39.338 10.466 6.135 1.00 31.34 O ATOM 1479 CB THR A 90 41.625 11.934 4.514 1.00 55.44 C ATOM 1480 OG1 THR A 90 41.688 10.515 4.332 1.00 4.53 O ATOM 1481 CG2 THR A 90 42.637 12.363 5.565 1.00 65.43 C ATOM 0 H THR A 90 40.951 14.305 4.891 1.00 3.11 H new ATOM 0 HA THR A 90 39.507 12.086 4.125 1.00 3.50 H new ATOM 0 HB THR A 90 41.869 12.431 3.575 1.00 55.44 H new ATOM 0 HG1 THR A 90 42.597 10.259 4.069 1.00 4.53 H new ATOM 0 HG21 THR A 90 43.636 12.059 5.253 1.00 65.43 H new ATOM 0 HG22 THR A 90 42.606 13.447 5.679 1.00 65.43 H new ATOM 0 HG23 THR A 90 42.395 11.891 6.517 1.00 65.43 H new ATOM 1489 N GLU A 91 40.012 12.243 7.341 1.00 61.44 N ATOM 1490 CA GLU A 91 39.682 11.635 8.624 1.00 31.03 C ATOM 1491 C GLU A 91 38.230 11.166 8.647 1.00 51.01 C ATOM 1492 O GLU A 91 37.907 10.136 9.239 1.00 5.25 O ATOM 1493 CB GLU A 91 39.926 12.629 9.762 1.00 61.31 C ATOM 1494 CG GLU A 91 39.183 13.943 9.592 1.00 43.22 C ATOM 1495 CD GLU A 91 39.367 14.874 10.775 1.00 54.35 C ATOM 1496 OE1 GLU A 91 40.520 15.272 11.042 1.00 31.15 O ATOM 1497 OE2 GLU A 91 38.358 15.205 11.432 1.00 31.10 O ATOM 0 H GLU A 91 40.401 13.183 7.407 1.00 61.44 H new ATOM 0 HA GLU A 91 40.328 10.768 8.763 1.00 31.03 H new ATOM 0 HB2 GLU A 91 39.625 12.171 10.704 1.00 61.31 H new ATOM 0 HB3 GLU A 91 40.995 12.832 9.833 1.00 61.31 H new ATOM 0 HG2 GLU A 91 39.532 14.439 8.686 1.00 43.22 H new ATOM 0 HG3 GLU A 91 38.121 13.741 9.455 1.00 43.22 H new ATOM 1504 N VAL A 92 37.357 11.930 7.997 1.00 23.13 N ATOM 1505 CA VAL A 92 35.940 11.594 7.942 1.00 73.44 C ATOM 1506 C VAL A 92 35.674 10.501 6.912 1.00 41.10 C ATOM 1507 O VAL A 92 34.955 9.539 7.183 1.00 52.44 O ATOM 1508 CB VAL A 92 35.083 12.827 7.598 1.00 63.21 C ATOM 1509 CG1 VAL A 92 33.605 12.471 7.612 1.00 75.14 C ATOM 1510 CG2 VAL A 92 35.375 13.964 8.565 1.00 4.10 C ATOM 0 H VAL A 92 37.607 12.786 7.501 1.00 23.13 H new ATOM 0 HA VAL A 92 35.662 11.232 8.932 1.00 73.44 H new ATOM 0 HB VAL A 92 35.342 13.159 6.593 1.00 63.21 H new ATOM 0 HG11 VAL A 92 33.016 13.354 7.367 1.00 75.14 H new ATOM 0 HG12 VAL A 92 33.412 11.690 6.876 1.00 75.14 H new ATOM 0 HG13 VAL A 92 33.326 12.113 8.603 1.00 75.14 H new ATOM 0 HG21 VAL A 92 34.761 14.827 8.308 1.00 4.10 H new ATOM 0 HG22 VAL A 92 35.145 13.645 9.582 1.00 4.10 H new ATOM 0 HG23 VAL A 92 36.429 14.236 8.500 1.00 4.10 H new ATOM 1520 N VAL A 93 36.260 10.655 5.729 1.00 42.41 N ATOM 1521 CA VAL A 93 36.089 9.681 4.658 1.00 54.22 C ATOM 1522 C VAL A 93 36.404 8.271 5.142 1.00 22.53 C ATOM 1523 O VAL A 93 35.799 7.299 4.691 1.00 52.13 O ATOM 1524 CB VAL A 93 36.987 10.010 3.450 1.00 14.44 C ATOM 1525 CG1 VAL A 93 38.217 9.116 3.440 1.00 74.42 C ATOM 1526 CG2 VAL A 93 36.205 9.872 2.153 1.00 43.05 C ATOM 0 H VAL A 93 36.858 11.446 5.488 1.00 42.41 H new ATOM 0 HA VAL A 93 35.045 9.731 4.349 1.00 54.22 H new ATOM 0 HB VAL A 93 37.321 11.044 3.537 1.00 14.44 H new ATOM 0 HG11 VAL A 93 38.839 9.363 2.580 1.00 74.42 H new ATOM 0 HG12 VAL A 93 38.787 9.271 4.356 1.00 74.42 H new ATOM 0 HG13 VAL A 93 37.908 8.073 3.377 1.00 74.42 H new ATOM 0 HG21 VAL A 93 36.854 10.108 1.310 1.00 43.05 H new ATOM 0 HG22 VAL A 93 35.840 8.850 2.055 1.00 43.05 H new ATOM 0 HG23 VAL A 93 35.359 10.559 2.163 1.00 43.05 H new ATOM 1536 N GLU A 94 37.356 8.167 6.065 1.00 71.53 N ATOM 1537 CA GLU A 94 37.752 6.874 6.610 1.00 31.53 C ATOM 1538 C GLU A 94 36.621 6.260 7.431 1.00 3.24 C ATOM 1539 O GLU A 94 36.446 5.042 7.453 1.00 72.22 O ATOM 1540 CB GLU A 94 39.004 7.023 7.477 1.00 32.33 C ATOM 1541 CG GLU A 94 40.264 7.315 6.681 1.00 43.21 C ATOM 1542 CD GLU A 94 40.841 6.076 6.025 1.00 75.35 C ATOM 1543 OE1 GLU A 94 40.271 5.622 5.010 1.00 23.32 O ATOM 1544 OE2 GLU A 94 41.862 5.560 6.526 1.00 74.12 O ATOM 0 H GLU A 94 37.866 8.962 6.450 1.00 71.53 H new ATOM 0 HA GLU A 94 37.974 6.209 5.775 1.00 31.53 H new ATOM 0 HB2 GLU A 94 38.844 7.826 8.196 1.00 32.33 H new ATOM 0 HB3 GLU A 94 39.150 6.107 8.050 1.00 32.33 H new ATOM 0 HG2 GLU A 94 40.041 8.057 5.914 1.00 43.21 H new ATOM 0 HG3 GLU A 94 41.012 7.754 7.341 1.00 43.21 H new ATOM 1551 N ARG A 95 35.858 7.113 8.106 1.00 10.44 N ATOM 1552 CA ARG A 95 34.746 6.656 8.931 1.00 54.24 C ATOM 1553 C ARG A 95 33.645 6.046 8.068 1.00 13.10 C ATOM 1554 O ARG A 95 32.993 5.080 8.466 1.00 31.23 O ATOM 1555 CB ARG A 95 34.181 7.817 9.752 1.00 72.14 C ATOM 1556 CG ARG A 95 32.969 7.438 10.588 1.00 43.41 C ATOM 1557 CD ARG A 95 33.345 6.491 11.716 1.00 24.23 C ATOM 1558 NE ARG A 95 34.191 7.138 12.716 1.00 51.13 N ATOM 1559 CZ ARG A 95 33.730 7.979 13.635 1.00 50.11 C ATOM 1560 NH1 ARG A 95 32.438 8.273 13.681 1.00 32.32 N ATOM 1561 NH2 ARG A 95 34.562 8.528 14.511 1.00 42.14 N ATOM 0 H ARG A 95 35.989 8.124 8.098 1.00 10.44 H new ATOM 0 HA ARG A 95 35.120 5.889 9.609 1.00 54.24 H new ATOM 0 HB2 ARG A 95 34.961 8.199 10.411 1.00 72.14 H new ATOM 0 HB3 ARG A 95 33.908 8.629 9.078 1.00 72.14 H new ATOM 0 HG2 ARG A 95 32.516 8.338 11.003 1.00 43.41 H new ATOM 0 HG3 ARG A 95 32.219 6.968 9.952 1.00 43.41 H new ATOM 0 HD2 ARG A 95 32.439 6.119 12.194 1.00 24.23 H new ATOM 0 HD3 ARG A 95 33.866 5.627 11.305 1.00 24.23 H new ATOM 0 HE ARG A 95 35.190 6.933 12.708 1.00 51.13 H new ATOM 0 HH11 ARG A 95 31.795 7.853 13.010 1.00 32.32 H new ATOM 0 HH12 ARG A 95 32.087 8.919 14.388 1.00 32.32 H new ATOM 0 HH21 ARG A 95 35.557 8.304 14.479 1.00 42.14 H new ATOM 0 HH22 ARG A 95 34.207 9.174 15.216 1.00 42.14 H new ATOM 1575 N LEU A 96 33.442 6.617 6.886 1.00 64.44 N ATOM 1576 CA LEU A 96 32.420 6.130 5.966 1.00 31.41 C ATOM 1577 C LEU A 96 32.806 4.770 5.393 1.00 33.53 C ATOM 1578 O LEU A 96 31.965 3.881 5.261 1.00 63.40 O ATOM 1579 CB LEU A 96 32.208 7.132 4.831 1.00 52.35 C ATOM 1580 CG LEU A 96 32.243 8.609 5.224 1.00 10.42 C ATOM 1581 CD1 LEU A 96 31.943 9.490 4.021 1.00 61.21 C ATOM 1582 CD2 LEU A 96 31.255 8.885 6.349 1.00 44.44 C ATOM 0 H LEU A 96 33.972 7.418 6.542 1.00 64.44 H new ATOM 0 HA LEU A 96 31.489 6.018 6.523 1.00 31.41 H new ATOM 0 HB2 LEU A 96 32.973 6.960 4.074 1.00 52.35 H new ATOM 0 HB3 LEU A 96 31.245 6.924 4.364 1.00 52.35 H new ATOM 0 HG LEU A 96 33.245 8.846 5.580 1.00 10.42 H new ATOM 0 HD11 LEU A 96 31.972 10.538 4.321 1.00 61.21 H new ATOM 0 HD12 LEU A 96 32.688 9.313 3.246 1.00 61.21 H new ATOM 0 HD13 LEU A 96 30.953 9.251 3.633 1.00 61.21 H new ATOM 0 HD21 LEU A 96 31.293 9.941 6.616 1.00 44.44 H new ATOM 0 HD22 LEU A 96 30.248 8.630 6.019 1.00 44.44 H new ATOM 0 HD23 LEU A 96 31.516 8.281 7.218 1.00 44.44 H new ATOM 1594 N GLU A 97 34.083 4.615 5.058 1.00 53.24 N ATOM 1595 CA GLU A 97 34.579 3.362 4.501 1.00 44.55 C ATOM 1596 C GLU A 97 34.369 2.211 5.479 1.00 32.40 C ATOM 1597 O GLU A 97 34.037 1.094 5.079 1.00 44.43 O ATOM 1598 CB GLU A 97 36.064 3.486 4.153 1.00 5.25 C ATOM 1599 CG GLU A 97 36.330 4.299 2.898 1.00 44.32 C ATOM 1600 CD GLU A 97 37.795 4.657 2.733 1.00 31.43 C ATOM 1601 OE1 GLU A 97 38.626 4.111 3.489 1.00 64.34 O ATOM 1602 OE2 GLU A 97 38.109 5.481 1.850 1.00 5.53 O ATOM 0 H GLU A 97 34.792 5.341 5.162 1.00 53.24 H new ATOM 0 HA GLU A 97 34.016 3.150 3.592 1.00 44.55 H new ATOM 0 HB2 GLU A 97 36.588 3.946 4.991 1.00 5.25 H new ATOM 0 HB3 GLU A 97 36.483 2.488 4.024 1.00 5.25 H new ATOM 0 HG2 GLU A 97 35.998 3.734 2.027 1.00 44.32 H new ATOM 0 HG3 GLU A 97 35.738 5.214 2.930 1.00 44.32 H new ATOM 1609 N TYR A 98 34.564 2.490 6.763 1.00 60.21 N ATOM 1610 CA TYR A 98 34.399 1.477 7.799 1.00 52.30 C ATOM 1611 C TYR A 98 32.930 1.100 7.962 1.00 33.43 C ATOM 1612 O TYR A 98 32.573 -0.079 7.949 1.00 63.13 O ATOM 1613 CB TYR A 98 34.958 1.983 9.130 1.00 53.42 C ATOM 1614 CG TYR A 98 34.761 1.017 10.276 1.00 63.11 C ATOM 1615 CD1 TYR A 98 33.575 0.997 10.998 1.00 34.50 C ATOM 1616 CD2 TYR A 98 35.763 0.123 10.636 1.00 55.12 C ATOM 1617 CE1 TYR A 98 33.391 0.116 12.046 1.00 23.32 C ATOM 1618 CE2 TYR A 98 35.587 -0.762 11.682 1.00 64.33 C ATOM 1619 CZ TYR A 98 34.400 -0.762 12.384 1.00 4.21 C ATOM 1620 OH TYR A 98 34.221 -1.642 13.427 1.00 42.23 O ATOM 0 H TYR A 98 34.836 3.409 7.111 1.00 60.21 H new ATOM 0 HA TYR A 98 34.952 0.588 7.495 1.00 52.30 H new ATOM 0 HB2 TYR A 98 36.023 2.184 9.014 1.00 53.42 H new ATOM 0 HB3 TYR A 98 34.480 2.931 9.378 1.00 53.42 H new ATOM 0 HD1 TYR A 98 32.783 1.682 10.736 1.00 34.50 H new ATOM 0 HD2 TYR A 98 36.694 0.120 10.089 1.00 55.12 H new ATOM 0 HE1 TYR A 98 32.462 0.115 12.598 1.00 23.32 H new ATOM 0 HE2 TYR A 98 36.375 -1.451 11.949 1.00 64.33 H new ATOM 0 HH TYR A 98 35.026 -2.191 13.534 1.00 42.23 H new ATOM 1630 N THR A 99 32.079 2.110 8.116 1.00 22.13 N ATOM 1631 CA THR A 99 30.649 1.886 8.283 1.00 53.13 C ATOM 1632 C THR A 99 30.044 1.247 7.038 1.00 33.01 C ATOM 1633 O THR A 99 29.043 0.534 7.118 1.00 73.40 O ATOM 1634 CB THR A 99 29.906 3.201 8.583 1.00 14.45 C ATOM 1635 OG1 THR A 99 29.913 4.044 7.426 1.00 71.03 O ATOM 1636 CG2 THR A 99 30.549 3.932 9.752 1.00 25.44 C ATOM 0 H THR A 99 32.356 3.092 8.128 1.00 22.13 H new ATOM 0 HA THR A 99 30.532 1.209 9.130 1.00 53.13 H new ATOM 0 HB THR A 99 28.877 2.957 8.848 1.00 14.45 H new ATOM 0 HG1 THR A 99 30.703 3.845 6.881 1.00 71.03 H new ATOM 0 HG21 THR A 99 30.007 4.858 9.945 1.00 25.44 H new ATOM 0 HG22 THR A 99 30.515 3.300 10.639 1.00 25.44 H new ATOM 0 HG23 THR A 99 31.587 4.163 9.510 1.00 25.44 H new ATOM 1644 N LEU A 100 30.657 1.506 5.888 1.00 33.04 N ATOM 1645 CA LEU A 100 30.179 0.955 4.625 1.00 35.22 C ATOM 1646 C LEU A 100 30.155 -0.570 4.671 1.00 54.34 C ATOM 1647 O LEU A 100 29.161 -1.196 4.302 1.00 60.03 O ATOM 1648 CB LEU A 100 31.065 1.428 3.472 1.00 55.14 C ATOM 1649 CG LEU A 100 30.830 0.748 2.122 1.00 11.03 C ATOM 1650 CD1 LEU A 100 31.096 1.718 0.982 1.00 51.40 C ATOM 1651 CD2 LEU A 100 31.707 -0.488 1.989 1.00 61.35 C ATOM 0 H LEU A 100 31.486 2.094 5.804 1.00 33.04 H new ATOM 0 HA LEU A 100 29.162 1.311 4.463 1.00 35.22 H new ATOM 0 HB2 LEU A 100 30.921 2.501 3.346 1.00 55.14 H new ATOM 0 HB3 LEU A 100 32.107 1.278 3.755 1.00 55.14 H new ATOM 0 HG LEU A 100 29.787 0.437 2.070 1.00 11.03 H new ATOM 0 HD11 LEU A 100 30.924 1.216 0.030 1.00 51.40 H new ATOM 0 HD12 LEU A 100 30.426 2.573 1.068 1.00 51.40 H new ATOM 0 HD13 LEU A 100 32.130 2.061 1.030 1.00 51.40 H new ATOM 0 HD21 LEU A 100 31.527 -0.960 1.023 1.00 61.35 H new ATOM 0 HD22 LEU A 100 32.756 -0.200 2.062 1.00 61.35 H new ATOM 0 HD23 LEU A 100 31.467 -1.192 2.786 1.00 61.35 H new ATOM 1663 N ARG A 101 31.254 -1.160 5.127 1.00 22.23 N ATOM 1664 CA ARG A 101 31.359 -2.611 5.222 1.00 31.31 C ATOM 1665 C ARG A 101 30.437 -3.153 6.311 1.00 3.10 C ATOM 1666 O ARG A 101 29.704 -4.117 6.093 1.00 0.34 O ATOM 1667 CB ARG A 101 32.804 -3.022 5.511 1.00 11.23 C ATOM 1668 CG ARG A 101 33.143 -4.427 5.042 1.00 23.12 C ATOM 1669 CD ARG A 101 32.919 -5.452 6.143 1.00 1.54 C ATOM 1670 NE ARG A 101 33.670 -6.682 5.908 1.00 41.31 N ATOM 1671 CZ ARG A 101 33.302 -7.612 5.034 1.00 54.20 C ATOM 1672 NH1 ARG A 101 32.198 -7.452 4.316 1.00 2.14 N ATOM 1673 NH2 ARG A 101 34.038 -8.704 4.876 1.00 32.41 N ATOM 0 H ARG A 101 32.085 -0.656 5.437 1.00 22.23 H new ATOM 0 HA ARG A 101 31.052 -3.035 4.266 1.00 31.31 H new ATOM 0 HB2 ARG A 101 33.478 -2.314 5.028 1.00 11.23 H new ATOM 0 HB3 ARG A 101 32.985 -2.953 6.584 1.00 11.23 H new ATOM 0 HG2 ARG A 101 32.530 -4.681 4.177 1.00 23.12 H new ATOM 0 HG3 ARG A 101 34.183 -4.462 4.717 1.00 23.12 H new ATOM 0 HD2 ARG A 101 33.214 -5.025 7.101 1.00 1.54 H new ATOM 0 HD3 ARG A 101 31.856 -5.684 6.211 1.00 1.54 H new ATOM 0 HE ARG A 101 34.524 -6.835 6.444 1.00 41.31 H new ATOM 0 HH11 ARG A 101 31.630 -6.613 4.434 1.00 2.14 H new ATOM 0 HH12 ARG A 101 31.918 -8.168 3.645 1.00 2.14 H new ATOM 0 HH21 ARG A 101 34.888 -8.830 5.426 1.00 32.41 H new ATOM 0 HH22 ARG A 101 33.754 -9.417 4.205 1.00 32.41 H new ATOM 1687 N GLU A 102 30.482 -2.526 7.483 1.00 74.05 N ATOM 1688 CA GLU A 102 29.651 -2.947 8.605 1.00 4.31 C ATOM 1689 C GLU A 102 28.172 -2.913 8.231 1.00 44.13 C ATOM 1690 O GLU A 102 27.369 -3.682 8.758 1.00 22.44 O ATOM 1691 CB GLU A 102 29.902 -2.049 9.818 1.00 3.33 C ATOM 1692 CG GLU A 102 31.091 -2.481 10.660 1.00 34.45 C ATOM 1693 CD GLU A 102 30.970 -3.912 11.148 1.00 61.20 C ATOM 1694 OE1 GLU A 102 30.170 -4.157 12.075 1.00 75.02 O ATOM 1695 OE2 GLU A 102 31.676 -4.787 10.603 1.00 11.45 O ATOM 0 H GLU A 102 31.084 -1.726 7.680 1.00 74.05 H new ATOM 0 HA GLU A 102 29.920 -3.973 8.858 1.00 4.31 H new ATOM 0 HB2 GLU A 102 30.062 -1.027 9.476 1.00 3.33 H new ATOM 0 HB3 GLU A 102 29.009 -2.039 10.443 1.00 3.33 H new ATOM 0 HG2 GLU A 102 32.004 -2.377 10.074 1.00 34.45 H new ATOM 0 HG3 GLU A 102 31.185 -1.815 11.518 1.00 34.45 H new ATOM 1702 N PHE A 103 27.820 -2.015 7.317 1.00 71.04 N ATOM 1703 CA PHE A 103 26.438 -1.879 6.872 1.00 52.21 C ATOM 1704 C PHE A 103 25.971 -3.141 6.152 1.00 43.54 C ATOM 1705 O PHE A 103 24.859 -3.620 6.373 1.00 31.11 O ATOM 1706 CB PHE A 103 26.294 -0.668 5.948 1.00 41.21 C ATOM 1707 CG PHE A 103 24.889 -0.145 5.860 1.00 51.54 C ATOM 1708 CD1 PHE A 103 23.882 -0.916 5.301 1.00 44.52 C ATOM 1709 CD2 PHE A 103 24.575 1.118 6.336 1.00 75.01 C ATOM 1710 CE1 PHE A 103 22.589 -0.436 5.218 1.00 52.03 C ATOM 1711 CE2 PHE A 103 23.283 1.603 6.256 1.00 75.31 C ATOM 1712 CZ PHE A 103 22.288 0.824 5.697 1.00 42.10 C ATOM 0 H PHE A 103 28.472 -1.371 6.870 1.00 71.04 H new ATOM 0 HA PHE A 103 25.812 -1.732 7.752 1.00 52.21 H new ATOM 0 HB2 PHE A 103 26.948 0.129 6.302 1.00 41.21 H new ATOM 0 HB3 PHE A 103 26.635 -0.941 4.949 1.00 41.21 H new ATOM 0 HD1 PHE A 103 24.110 -1.903 4.926 1.00 44.52 H new ATOM 0 HD2 PHE A 103 25.349 1.731 6.775 1.00 75.01 H new ATOM 0 HE1 PHE A 103 21.814 -1.046 4.779 1.00 52.03 H new ATOM 0 HE2 PHE A 103 23.052 2.589 6.630 1.00 75.31 H new ATOM 0 HZ PHE A 103 21.277 1.200 5.635 1.00 42.10 H new ATOM 1722 N HIS A 104 26.830 -3.673 5.288 1.00 72.22 N ATOM 1723 CA HIS A 104 26.507 -4.879 4.534 1.00 34.50 C ATOM 1724 C HIS A 104 26.475 -6.100 5.449 1.00 2.22 C ATOM 1725 O HIS A 104 25.701 -7.031 5.230 1.00 24.10 O ATOM 1726 CB HIS A 104 27.524 -5.094 3.413 1.00 3.03 C ATOM 1727 CG HIS A 104 27.467 -6.462 2.806 1.00 54.44 C ATOM 1728 ND1 HIS A 104 28.318 -7.484 3.170 1.00 54.41 N ATOM 1729 CD2 HIS A 104 26.652 -6.974 1.854 1.00 14.10 C ATOM 1730 CE1 HIS A 104 28.030 -8.565 2.468 1.00 54.24 C ATOM 1731 NE2 HIS A 104 27.022 -8.282 1.662 1.00 71.21 N ATOM 0 H HIS A 104 27.754 -3.288 5.093 1.00 72.22 H new ATOM 0 HA HIS A 104 25.517 -4.749 4.096 1.00 34.50 H new ATOM 0 HB2 HIS A 104 27.354 -4.352 2.633 1.00 3.03 H new ATOM 0 HB3 HIS A 104 28.526 -4.921 3.805 1.00 3.03 H new ATOM 0 HD1 HIS A 104 29.055 -7.416 3.872 1.00 54.41 H new ATOM 0 HD2 HIS A 104 25.858 -6.451 1.341 1.00 14.10 H new ATOM 0 HE1 HIS A 104 28.533 -9.518 2.540 1.00 54.24 H new ATOM 1739 N GLU A 105 27.322 -6.087 6.474 1.00 71.20 N ATOM 1740 CA GLU A 105 27.391 -7.194 7.421 1.00 61.24 C ATOM 1741 C GLU A 105 26.029 -7.450 8.059 1.00 0.12 C ATOM 1742 O GLU A 105 25.557 -8.586 8.110 1.00 65.10 O ATOM 1743 CB GLU A 105 28.429 -6.902 8.506 1.00 11.23 C ATOM 1744 CG GLU A 105 29.337 -8.081 8.814 1.00 15.10 C ATOM 1745 CD GLU A 105 28.751 -9.011 9.859 1.00 73.15 C ATOM 1746 OE1 GLU A 105 28.853 -8.691 11.061 1.00 10.24 O ATOM 1747 OE2 GLU A 105 28.191 -10.059 9.474 1.00 53.43 O ATOM 0 H GLU A 105 27.969 -5.323 6.670 1.00 71.20 H new ATOM 0 HA GLU A 105 27.690 -8.088 6.874 1.00 61.24 H new ATOM 0 HB2 GLU A 105 29.040 -6.056 8.193 1.00 11.23 H new ATOM 0 HB3 GLU A 105 27.914 -6.603 9.419 1.00 11.23 H new ATOM 0 HG2 GLU A 105 29.522 -8.641 7.898 1.00 15.10 H new ATOM 0 HG3 GLU A 105 30.301 -7.711 9.162 1.00 15.10 H new ATOM 1754 N LYS A 106 25.401 -6.385 8.546 1.00 4.04 N ATOM 1755 CA LYS A 106 24.093 -6.491 9.182 1.00 62.34 C ATOM 1756 C LYS A 106 23.000 -6.717 8.142 1.00 42.11 C ATOM 1757 O LYS A 106 22.005 -7.393 8.409 1.00 45.35 O ATOM 1758 CB LYS A 106 23.791 -5.227 9.989 1.00 50.44 C ATOM 1759 CG LYS A 106 23.184 -4.107 9.160 1.00 24.25 C ATOM 1760 CD LYS A 106 23.441 -2.747 9.788 1.00 30.31 C ATOM 1761 CE LYS A 106 22.854 -2.660 11.189 1.00 63.23 C ATOM 1762 NZ LYS A 106 23.121 -1.338 11.821 1.00 61.44 N ATOM 0 H LYS A 106 25.777 -5.438 8.512 1.00 4.04 H new ATOM 0 HA LYS A 106 24.112 -7.348 9.856 1.00 62.34 H new ATOM 0 HB2 LYS A 106 23.108 -5.478 10.800 1.00 50.44 H new ATOM 0 HB3 LYS A 106 24.713 -4.870 10.448 1.00 50.44 H new ATOM 0 HG2 LYS A 106 23.603 -4.129 8.154 1.00 24.25 H new ATOM 0 HG3 LYS A 106 22.110 -4.267 9.062 1.00 24.25 H new ATOM 0 HD2 LYS A 106 24.514 -2.561 9.830 1.00 30.31 H new ATOM 0 HD3 LYS A 106 23.007 -1.968 9.161 1.00 30.31 H new ATOM 0 HE2 LYS A 106 21.778 -2.830 11.143 1.00 63.23 H new ATOM 0 HE3 LYS A 106 23.276 -3.451 11.809 1.00 63.23 H new ATOM 0 HZ1 LYS A 106 23.121 -1.442 12.856 1.00 61.44 H new ATOM 0 HZ2 LYS A 106 24.048 -0.985 11.508 1.00 61.44 H new ATOM 0 HZ3 LYS A 106 22.381 -0.663 11.541 1.00 61.44 H new ATOM 1776 N LEU A 107 23.192 -6.149 6.956 1.00 15.24 N ATOM 1777 CA LEU A 107 22.222 -6.289 5.875 1.00 22.52 C ATOM 1778 C LEU A 107 22.167 -7.730 5.378 1.00 73.34 C ATOM 1779 O LEU A 107 21.104 -8.229 5.008 1.00 34.34 O ATOM 1780 CB LEU A 107 22.578 -5.352 4.720 1.00 71.22 C ATOM 1781 CG LEU A 107 21.398 -4.707 3.992 1.00 44.32 C ATOM 1782 CD1 LEU A 107 20.403 -5.766 3.544 1.00 44.14 C ATOM 1783 CD2 LEU A 107 20.719 -3.678 4.884 1.00 3.10 C ATOM 0 H LEU A 107 24.010 -5.588 6.719 1.00 15.24 H new ATOM 0 HA LEU A 107 21.240 -6.020 6.263 1.00 22.52 H new ATOM 0 HB2 LEU A 107 23.219 -4.559 5.106 1.00 71.22 H new ATOM 0 HB3 LEU A 107 23.166 -5.911 3.993 1.00 71.22 H new ATOM 0 HG LEU A 107 21.777 -4.197 3.106 1.00 44.32 H new ATOM 0 HD11 LEU A 107 19.570 -5.288 3.028 1.00 44.14 H new ATOM 0 HD12 LEU A 107 20.895 -6.465 2.868 1.00 44.14 H new ATOM 0 HD13 LEU A 107 20.029 -6.305 4.414 1.00 44.14 H new ATOM 0 HD21 LEU A 107 19.882 -3.229 4.350 1.00 3.10 H new ATOM 0 HD22 LEU A 107 20.353 -4.165 5.788 1.00 3.10 H new ATOM 0 HD23 LEU A 107 21.435 -2.902 5.154 1.00 3.10 H new ATOM 1795 N ARG A 108 23.318 -8.394 5.373 1.00 42.13 N ATOM 1796 CA ARG A 108 23.400 -9.778 4.922 1.00 44.13 C ATOM 1797 C ARG A 108 22.642 -10.704 5.868 1.00 25.13 C ATOM 1798 O ARG A 108 21.903 -11.585 5.430 1.00 32.53 O ATOM 1799 CB ARG A 108 24.862 -10.218 4.822 1.00 60.11 C ATOM 1800 CG ARG A 108 25.033 -11.700 4.533 1.00 63.43 C ATOM 1801 CD ARG A 108 24.283 -12.113 3.276 1.00 63.11 C ATOM 1802 NE ARG A 108 24.694 -13.432 2.802 1.00 51.14 N ATOM 1803 CZ ARG A 108 24.011 -14.136 1.906 1.00 30.41 C ATOM 1804 NH1 ARG A 108 22.890 -13.651 1.390 1.00 4.43 N ATOM 1805 NH2 ARG A 108 24.449 -15.329 1.524 1.00 21.35 N ATOM 0 H ARG A 108 24.207 -7.996 5.676 1.00 42.13 H new ATOM 0 HA ARG A 108 22.941 -9.840 3.935 1.00 44.13 H new ATOM 0 HB2 ARG A 108 25.352 -9.644 4.036 1.00 60.11 H new ATOM 0 HB3 ARG A 108 25.370 -9.978 5.756 1.00 60.11 H new ATOM 0 HG2 ARG A 108 26.092 -11.929 4.418 1.00 63.43 H new ATOM 0 HG3 ARG A 108 24.671 -12.281 5.381 1.00 63.43 H new ATOM 0 HD2 ARG A 108 23.212 -12.118 3.478 1.00 63.11 H new ATOM 0 HD3 ARG A 108 24.456 -11.376 2.492 1.00 63.11 H new ATOM 0 HE ARG A 108 25.552 -13.834 3.179 1.00 51.14 H new ATOM 0 HH11 ARG A 108 22.549 -12.735 1.681 1.00 4.43 H new ATOM 0 HH12 ARG A 108 22.368 -14.194 0.702 1.00 4.43 H new ATOM 0 HH21 ARG A 108 25.311 -15.706 1.918 1.00 21.35 H new ATOM 0 HH22 ARG A 108 23.924 -15.869 0.836 1.00 21.35 H new ATOM 1819 N ASP A 109 22.832 -10.498 7.167 1.00 64.32 N ATOM 1820 CA ASP A 109 22.167 -11.314 8.176 1.00 73.23 C ATOM 1821 C ASP A 109 20.653 -11.278 7.991 1.00 32.31 C ATOM 1822 O ASP A 109 19.988 -12.315 8.019 1.00 65.33 O ATOM 1823 CB ASP A 109 22.534 -10.828 9.579 1.00 74.23 C ATOM 1824 CG ASP A 109 22.497 -11.943 10.605 1.00 22.15 C ATOM 1825 OD1 ASP A 109 22.728 -13.109 10.223 1.00 22.01 O ATOM 1826 OD2 ASP A 109 22.237 -11.650 11.791 1.00 11.34 O ATOM 0 H ASP A 109 23.441 -9.773 7.546 1.00 64.32 H new ATOM 0 HA ASP A 109 22.506 -12.343 8.057 1.00 73.23 H new ATOM 0 HB2 ASP A 109 23.532 -10.389 9.559 1.00 74.23 H new ATOM 0 HB3 ASP A 109 21.845 -10.039 9.879 1.00 74.23 H new ATOM 1831 N LEU A 110 20.113 -10.079 7.804 1.00 1.01 N ATOM 1832 CA LEU A 110 18.677 -9.907 7.616 1.00 73.31 C ATOM 1833 C LEU A 110 18.190 -10.685 6.398 1.00 62.45 C ATOM 1834 O LEU A 110 17.237 -11.461 6.483 1.00 64.32 O ATOM 1835 CB LEU A 110 18.337 -8.424 7.457 1.00 31.32 C ATOM 1836 CG LEU A 110 16.888 -8.103 7.088 1.00 63.44 C ATOM 1837 CD1 LEU A 110 16.005 -8.123 8.325 1.00 33.33 C ATOM 1838 CD2 LEU A 110 16.802 -6.754 6.390 1.00 2.43 C ATOM 0 H LEU A 110 20.648 -9.211 7.779 1.00 1.01 H new ATOM 0 HA LEU A 110 18.171 -10.297 8.499 1.00 73.31 H new ATOM 0 HB2 LEU A 110 18.574 -7.915 8.391 1.00 31.32 H new ATOM 0 HB3 LEU A 110 18.988 -8.003 6.691 1.00 31.32 H new ATOM 0 HG LEU A 110 16.530 -8.869 6.400 1.00 63.44 H new ATOM 0 HD11 LEU A 110 14.978 -7.892 8.043 1.00 33.33 H new ATOM 0 HD12 LEU A 110 16.042 -9.112 8.783 1.00 33.33 H new ATOM 0 HD13 LEU A 110 16.361 -7.379 9.038 1.00 33.33 H new ATOM 0 HD21 LEU A 110 15.764 -6.542 6.135 1.00 2.43 H new ATOM 0 HD22 LEU A 110 17.179 -5.976 7.054 1.00 2.43 H new ATOM 0 HD23 LEU A 110 17.402 -6.776 5.480 1.00 2.43 H new ATOM 1850 N LEU A 111 18.852 -10.475 5.265 1.00 54.41 N ATOM 1851 CA LEU A 111 18.488 -11.158 4.028 1.00 23.03 C ATOM 1852 C LEU A 111 18.585 -12.671 4.194 1.00 64.33 C ATOM 1853 O LEU A 111 17.821 -13.422 3.586 1.00 24.03 O ATOM 1854 CB LEU A 111 19.394 -10.699 2.884 1.00 20.50 C ATOM 1855 CG LEU A 111 18.778 -9.708 1.896 1.00 32.22 C ATOM 1856 CD1 LEU A 111 18.011 -8.623 2.637 1.00 65.32 C ATOM 1857 CD2 LEU A 111 19.855 -9.095 1.014 1.00 63.02 C ATOM 0 H LEU A 111 19.643 -9.837 5.177 1.00 54.41 H new ATOM 0 HA LEU A 111 17.455 -10.903 3.790 1.00 23.03 H new ATOM 0 HB2 LEU A 111 20.287 -10.245 3.314 1.00 20.50 H new ATOM 0 HB3 LEU A 111 19.720 -11.579 2.330 1.00 20.50 H new ATOM 0 HG LEU A 111 18.078 -10.248 1.258 1.00 32.22 H new ATOM 0 HD11 LEU A 111 17.580 -7.927 1.918 1.00 65.32 H new ATOM 0 HD12 LEU A 111 17.214 -9.078 3.225 1.00 65.32 H new ATOM 0 HD13 LEU A 111 18.689 -8.086 3.300 1.00 65.32 H new ATOM 0 HD21 LEU A 111 19.398 -8.392 0.317 1.00 63.02 H new ATOM 0 HD22 LEU A 111 20.580 -8.570 1.636 1.00 63.02 H new ATOM 0 HD23 LEU A 111 20.360 -9.883 0.456 1.00 63.02 H new ATOM 1869 N ILE A 112 19.528 -13.112 5.021 1.00 53.45 N ATOM 1870 CA ILE A 112 19.722 -14.535 5.268 1.00 12.22 C ATOM 1871 C ILE A 112 18.510 -15.141 5.968 1.00 24.21 C ATOM 1872 O ILE A 112 18.201 -16.319 5.787 1.00 51.21 O ATOM 1873 CB ILE A 112 20.977 -14.791 6.124 1.00 74.44 C ATOM 1874 CG1 ILE A 112 22.241 -14.618 5.279 1.00 75.31 C ATOM 1875 CG2 ILE A 112 20.927 -16.185 6.733 1.00 55.44 C ATOM 1876 CD1 ILE A 112 23.502 -14.474 6.101 1.00 31.33 C ATOM 0 H ILE A 112 20.169 -12.504 5.531 1.00 53.45 H new ATOM 0 HA ILE A 112 19.852 -15.010 4.296 1.00 12.22 H new ATOM 0 HB ILE A 112 21.002 -14.062 6.934 1.00 74.44 H new ATOM 0 HG12 ILE A 112 22.345 -15.477 4.616 1.00 75.31 H new ATOM 0 HG13 ILE A 112 22.127 -13.738 4.646 1.00 75.31 H new ATOM 0 HG21 ILE A 112 21.820 -16.351 7.335 1.00 55.44 H new ATOM 0 HG22 ILE A 112 20.043 -16.275 7.364 1.00 55.44 H new ATOM 0 HG23 ILE A 112 20.882 -16.928 5.937 1.00 55.44 H new ATOM 0 HD11 ILE A 112 24.358 -14.355 5.437 1.00 31.33 H new ATOM 0 HD12 ILE A 112 23.418 -13.599 6.745 1.00 31.33 H new ATOM 0 HD13 ILE A 112 23.640 -15.364 6.715 1.00 31.33 H new ATOM 1888 N SER A 113 17.827 -14.328 6.767 1.00 30.12 N ATOM 1889 CA SER A 113 16.650 -14.785 7.496 1.00 14.34 C ATOM 1890 C SER A 113 15.497 -15.076 6.540 1.00 64.22 C ATOM 1891 O SER A 113 14.665 -15.944 6.800 1.00 30.40 O ATOM 1892 CB SER A 113 16.221 -13.735 8.524 1.00 63.31 C ATOM 1893 OG SER A 113 15.094 -13.007 8.070 1.00 72.04 O ATOM 0 H SER A 113 18.068 -13.350 6.926 1.00 30.12 H new ATOM 0 HA SER A 113 16.911 -15.707 8.015 1.00 14.34 H new ATOM 0 HB2 SER A 113 15.986 -14.223 9.470 1.00 63.31 H new ATOM 0 HB3 SER A 113 17.047 -13.050 8.715 1.00 63.31 H new ATOM 0 HG SER A 113 15.388 -12.288 7.473 1.00 72.04 H new ATOM 1899 N MET A 114 15.457 -14.344 5.432 1.00 52.53 N ATOM 1900 CA MET A 114 14.408 -14.524 4.435 1.00 53.41 C ATOM 1901 C MET A 114 14.877 -15.442 3.311 1.00 23.23 C ATOM 1902 O MET A 114 14.106 -15.786 2.416 1.00 21.13 O ATOM 1903 CB MET A 114 13.983 -13.171 3.860 1.00 43.11 C ATOM 1904 CG MET A 114 13.760 -12.103 4.919 1.00 63.42 C ATOM 1905 SD MET A 114 14.867 -10.693 4.727 1.00 40.11 S ATOM 1906 CE MET A 114 13.719 -9.332 4.924 1.00 72.42 C ATOM 0 H MET A 114 16.138 -13.621 5.202 1.00 52.53 H new ATOM 0 HA MET A 114 13.552 -14.988 4.925 1.00 53.41 H new ATOM 0 HB2 MET A 114 14.747 -12.826 3.163 1.00 43.11 H new ATOM 0 HB3 MET A 114 13.064 -13.301 3.288 1.00 43.11 H new ATOM 0 HG2 MET A 114 12.727 -11.758 4.870 1.00 63.42 H new ATOM 0 HG3 MET A 114 13.903 -12.541 5.907 1.00 63.42 H new ATOM 0 HE1 MET A 114 13.894 -8.592 4.143 1.00 72.42 H new ATOM 0 HE2 MET A 114 12.697 -9.704 4.848 1.00 72.42 H new ATOM 0 HE3 MET A 114 13.866 -8.871 5.901 1.00 72.42 H new ATOM 1916 N GLU A 115 16.146 -15.835 3.365 1.00 2.12 N ATOM 1917 CA GLU A 115 16.717 -16.713 2.350 1.00 1.33 C ATOM 1918 C GLU A 115 16.710 -16.038 0.981 1.00 24.35 C ATOM 1919 O GLU A 115 16.277 -16.626 -0.011 1.00 2.13 O ATOM 1920 CB GLU A 115 15.939 -18.029 2.286 1.00 3.25 C ATOM 1921 CG GLU A 115 15.664 -18.640 3.650 1.00 11.21 C ATOM 1922 CD GLU A 115 15.477 -20.143 3.589 1.00 74.33 C ATOM 1923 OE1 GLU A 115 16.450 -20.848 3.251 1.00 65.43 O ATOM 1924 OE2 GLU A 115 14.357 -20.615 3.878 1.00 2.41 O ATOM 0 H GLU A 115 16.797 -15.560 4.100 1.00 2.12 H new ATOM 0 HA GLU A 115 17.750 -16.923 2.627 1.00 1.33 H new ATOM 0 HB2 GLU A 115 14.991 -17.857 1.777 1.00 3.25 H new ATOM 0 HB3 GLU A 115 16.499 -18.744 1.683 1.00 3.25 H new ATOM 0 HG2 GLU A 115 16.491 -18.407 4.321 1.00 11.21 H new ATOM 0 HG3 GLU A 115 14.770 -18.183 4.075 1.00 11.21 H new ATOM 1931 N LEU A 116 17.193 -14.801 0.936 1.00 73.43 N ATOM 1932 CA LEU A 116 17.242 -14.045 -0.311 1.00 24.21 C ATOM 1933 C LEU A 116 18.660 -14.017 -0.874 1.00 55.24 C ATOM 1934 O LEU A 116 19.620 -13.753 -0.152 1.00 41.40 O ATOM 1935 CB LEU A 116 16.743 -12.617 -0.084 1.00 73.34 C ATOM 1936 CG LEU A 116 15.233 -12.407 -0.208 1.00 2.14 C ATOM 1937 CD1 LEU A 116 14.814 -12.393 -1.669 1.00 73.23 C ATOM 1938 CD2 LEU A 116 14.480 -13.487 0.555 1.00 22.12 C ATOM 0 H LEU A 116 17.556 -14.301 1.747 1.00 73.43 H new ATOM 0 HA LEU A 116 16.593 -14.539 -1.034 1.00 24.21 H new ATOM 0 HB2 LEU A 116 17.054 -12.299 0.911 1.00 73.34 H new ATOM 0 HB3 LEU A 116 17.241 -11.961 -0.798 1.00 73.34 H new ATOM 0 HG LEU A 116 14.983 -11.440 0.229 1.00 2.14 H new ATOM 0 HD11 LEU A 116 13.737 -12.243 -1.737 1.00 73.23 H new ATOM 0 HD12 LEU A 116 15.327 -11.583 -2.187 1.00 73.23 H new ATOM 0 HD13 LEU A 116 15.078 -13.344 -2.132 1.00 73.23 H new ATOM 0 HD21 LEU A 116 13.407 -13.322 0.456 1.00 22.12 H new ATOM 0 HD22 LEU A 116 14.736 -14.465 0.148 1.00 22.12 H new ATOM 0 HD23 LEU A 116 14.757 -13.449 1.608 1.00 22.12 H new ATOM 1950 N ALA A 117 18.781 -14.289 -2.170 1.00 3.25 N ATOM 1951 CA ALA A 117 20.080 -14.290 -2.831 1.00 22.30 C ATOM 1952 C ALA A 117 20.728 -12.911 -2.772 1.00 31.01 C ATOM 1953 O ALA A 117 20.053 -11.890 -2.916 1.00 64.40 O ATOM 1954 CB ALA A 117 19.936 -14.747 -4.275 1.00 44.43 C ATOM 0 H ALA A 117 17.996 -14.511 -2.782 1.00 3.25 H new ATOM 0 HA ALA A 117 20.728 -14.989 -2.303 1.00 22.30 H new ATOM 0 HB1 ALA A 117 20.914 -14.743 -4.757 1.00 44.43 H new ATOM 0 HB2 ALA A 117 19.524 -15.756 -4.298 1.00 44.43 H new ATOM 0 HB3 ALA A 117 19.267 -14.070 -4.806 1.00 44.43 H new ATOM 1960 N LEU A 118 22.039 -12.887 -2.558 1.00 52.15 N ATOM 1961 CA LEU A 118 22.778 -11.632 -2.480 1.00 2.24 C ATOM 1962 C LEU A 118 23.886 -11.586 -3.527 1.00 51.41 C ATOM 1963 O LEU A 118 24.542 -12.592 -3.795 1.00 11.34 O ATOM 1964 CB LEU A 118 23.375 -11.455 -1.082 1.00 74.50 C ATOM 1965 CG LEU A 118 24.073 -10.122 -0.814 1.00 22.12 C ATOM 1966 CD1 LEU A 118 23.085 -9.101 -0.271 1.00 61.31 C ATOM 1967 CD2 LEU A 118 25.232 -10.312 0.154 1.00 31.32 C ATOM 0 H LEU A 118 22.612 -13.722 -2.435 1.00 52.15 H new ATOM 0 HA LEU A 118 22.082 -10.817 -2.678 1.00 2.24 H new ATOM 0 HB2 LEU A 118 22.577 -11.578 -0.350 1.00 74.50 H new ATOM 0 HB3 LEU A 118 24.091 -12.258 -0.910 1.00 74.50 H new ATOM 0 HG LEU A 118 24.471 -9.746 -1.757 1.00 22.12 H new ATOM 0 HD11 LEU A 118 23.600 -8.158 -0.086 1.00 61.31 H new ATOM 0 HD12 LEU A 118 22.289 -8.943 -0.998 1.00 61.31 H new ATOM 0 HD13 LEU A 118 22.657 -9.469 0.661 1.00 61.31 H new ATOM 0 HD21 LEU A 118 25.717 -9.353 0.333 1.00 31.32 H new ATOM 0 HD22 LEU A 118 24.857 -10.711 1.097 1.00 31.32 H new ATOM 0 HD23 LEU A 118 25.953 -11.009 -0.274 1.00 31.32 H new ATOM 1979 N GLU A 119 24.089 -10.411 -4.115 1.00 1.43 N ATOM 1980 CA GLU A 119 25.119 -10.234 -5.132 1.00 11.11 C ATOM 1981 C GLU A 119 25.735 -8.840 -5.046 1.00 74.25 C ATOM 1982 O GLU A 119 25.157 -7.913 -4.479 1.00 3.32 O ATOM 1983 CB GLU A 119 24.533 -10.460 -6.527 1.00 51.22 C ATOM 1984 CG GLU A 119 24.551 -11.914 -6.967 1.00 23.10 C ATOM 1985 CD GLU A 119 25.782 -12.262 -7.782 1.00 2.34 C ATOM 1986 OE1 GLU A 119 26.832 -12.560 -7.174 1.00 53.43 O ATOM 1987 OE2 GLU A 119 25.695 -12.236 -9.027 1.00 41.23 O ATOM 0 H GLU A 119 23.554 -9.568 -3.905 1.00 1.43 H new ATOM 0 HA GLU A 119 25.903 -10.970 -4.951 1.00 11.11 H new ATOM 0 HB2 GLU A 119 23.505 -10.097 -6.543 1.00 51.22 H new ATOM 0 HB3 GLU A 119 25.093 -9.864 -7.248 1.00 51.22 H new ATOM 0 HG2 GLU A 119 24.509 -12.556 -6.087 1.00 23.10 H new ATOM 0 HG3 GLU A 119 23.658 -12.122 -7.557 1.00 23.10 H new ATOM 1994 N PRO A 120 26.936 -8.688 -5.623 1.00 71.23 N ATOM 1995 CA PRO A 120 27.657 -7.412 -5.626 1.00 51.11 C ATOM 1996 C PRO A 120 26.988 -6.370 -6.517 1.00 64.50 C ATOM 1997 O PRO A 120 26.055 -6.680 -7.258 1.00 24.33 O ATOM 1998 CB PRO A 120 29.035 -7.784 -6.180 1.00 33.04 C ATOM 1999 CG PRO A 120 28.796 -9.005 -6.999 1.00 45.13 C ATOM 2000 CD PRO A 120 27.683 -9.751 -6.318 1.00 13.44 C ATOM 0 HA PRO A 120 27.689 -6.960 -4.635 1.00 51.11 H new ATOM 0 HB2 PRO A 120 29.450 -6.977 -6.784 1.00 33.04 H new ATOM 0 HB3 PRO A 120 29.745 -7.979 -5.377 1.00 33.04 H new ATOM 0 HG2 PRO A 120 28.521 -8.742 -8.020 1.00 45.13 H new ATOM 0 HG3 PRO A 120 29.696 -9.617 -7.059 1.00 45.13 H new ATOM 0 HD2 PRO A 120 27.056 -10.280 -7.035 1.00 13.44 H new ATOM 0 HD3 PRO A 120 28.066 -10.495 -5.620 1.00 13.44 H new ATOM 2008 N SER A 121 27.472 -5.135 -6.440 1.00 51.33 N ATOM 2009 CA SER A 121 26.919 -4.046 -7.238 1.00 35.52 C ATOM 2010 C SER A 121 27.490 -4.065 -8.652 1.00 54.24 C ATOM 2011 O SER A 121 28.704 -4.130 -8.843 1.00 22.45 O ATOM 2012 CB SER A 121 27.212 -2.699 -6.574 1.00 61.55 C ATOM 2013 OG SER A 121 26.481 -1.656 -7.194 1.00 50.33 O ATOM 0 H SER A 121 28.246 -4.863 -5.834 1.00 51.33 H new ATOM 0 HA SER A 121 25.840 -4.185 -7.299 1.00 35.52 H new ATOM 0 HB2 SER A 121 26.955 -2.748 -5.516 1.00 61.55 H new ATOM 0 HB3 SER A 121 28.279 -2.485 -6.634 1.00 61.55 H new ATOM 0 HG SER A 121 26.983 -0.818 -7.123 1.00 50.33 H new ATOM 2019 N ASP A 122 26.605 -4.006 -9.641 1.00 73.44 N ATOM 2020 CA ASP A 122 27.019 -4.015 -11.040 1.00 21.14 C ATOM 2021 C ASP A 122 27.888 -2.802 -11.356 1.00 63.14 C ATOM 2022 O ASP A 122 28.601 -2.782 -12.360 1.00 24.13 O ATOM 2023 CB ASP A 122 25.795 -4.034 -11.956 1.00 70.34 C ATOM 2024 CG ASP A 122 24.809 -5.123 -11.583 1.00 31.53 C ATOM 2025 OD1 ASP A 122 25.208 -6.307 -11.570 1.00 40.03 O ATOM 2026 OD2 ASP A 122 23.638 -4.792 -11.302 1.00 22.41 O ATOM 0 H ASP A 122 25.596 -3.951 -9.500 1.00 73.44 H new ATOM 0 HA ASP A 122 27.607 -4.916 -11.214 1.00 21.14 H new ATOM 0 HB2 ASP A 122 25.296 -3.066 -11.911 1.00 70.34 H new ATOM 0 HB3 ASP A 122 26.119 -4.179 -12.987 1.00 70.34 H new ATOM 2031 N ASP A 123 27.823 -1.793 -10.495 1.00 53.22 N ATOM 2032 CA ASP A 123 28.604 -0.576 -10.683 1.00 13.41 C ATOM 2033 C ASP A 123 30.062 -0.801 -10.297 1.00 2.21 C ATOM 2034 O ASP A 123 30.918 0.049 -10.542 1.00 5.32 O ATOM 2035 CB ASP A 123 28.014 0.567 -9.854 1.00 63.22 C ATOM 2036 CG ASP A 123 26.721 1.100 -10.440 1.00 25.22 C ATOM 2037 OD1 ASP A 123 26.672 1.316 -11.669 1.00 32.45 O ATOM 2038 OD2 ASP A 123 25.760 1.302 -9.669 1.00 75.11 O ATOM 0 H ASP A 123 27.237 -1.794 -9.660 1.00 53.22 H new ATOM 0 HA ASP A 123 28.564 -0.307 -11.739 1.00 13.41 H new ATOM 0 HB2 ASP A 123 27.832 0.218 -8.837 1.00 63.22 H new ATOM 0 HB3 ASP A 123 28.741 1.377 -9.788 1.00 63.22 H new ATOM 2043 N PHE A 124 30.338 -1.951 -9.691 1.00 12.11 N ATOM 2044 CA PHE A 124 31.692 -2.287 -9.269 1.00 25.33 C ATOM 2045 C PHE A 124 32.294 -3.358 -10.174 1.00 43.11 C ATOM 2046 O PHE A 124 31.635 -4.339 -10.516 1.00 41.43 O ATOM 2047 CB PHE A 124 31.692 -2.772 -7.817 1.00 75.25 C ATOM 2048 CG PHE A 124 31.934 -1.676 -6.819 1.00 75.42 C ATOM 2049 CD1 PHE A 124 30.930 -0.775 -6.504 1.00 10.43 C ATOM 2050 CD2 PHE A 124 33.164 -1.548 -6.196 1.00 23.42 C ATOM 2051 CE1 PHE A 124 31.150 0.235 -5.586 1.00 44.10 C ATOM 2052 CE2 PHE A 124 33.390 -0.541 -5.277 1.00 4.11 C ATOM 2053 CZ PHE A 124 32.382 0.351 -4.971 1.00 13.31 C ATOM 0 H PHE A 124 29.641 -2.666 -9.481 1.00 12.11 H new ATOM 0 HA PHE A 124 32.302 -1.387 -9.344 1.00 25.33 H new ATOM 0 HB2 PHE A 124 30.734 -3.245 -7.600 1.00 75.25 H new ATOM 0 HB3 PHE A 124 32.459 -3.537 -7.698 1.00 75.25 H new ATOM 0 HD1 PHE A 124 29.965 -0.863 -6.981 1.00 10.43 H new ATOM 0 HD2 PHE A 124 33.956 -2.243 -6.431 1.00 23.42 H new ATOM 0 HE1 PHE A 124 30.360 0.932 -5.350 1.00 44.10 H new ATOM 0 HE2 PHE A 124 34.354 -0.452 -4.799 1.00 4.11 H new ATOM 0 HZ PHE A 124 32.556 1.138 -4.252 1.00 13.31 H new ATOM 2063 N ASN A 125 33.551 -3.161 -10.559 1.00 2.02 N ATOM 2064 CA ASN A 125 34.243 -4.108 -11.426 1.00 34.45 C ATOM 2065 C ASN A 125 35.536 -4.594 -10.778 1.00 70.12 C ATOM 2066 O ASN A 125 36.630 -4.190 -11.173 1.00 73.13 O ATOM 2067 CB ASN A 125 34.547 -3.464 -12.779 1.00 64.35 C ATOM 2068 CG ASN A 125 33.291 -3.180 -13.580 1.00 64.24 C ATOM 2069 OD1 ASN A 125 32.398 -4.022 -13.673 1.00 55.34 O ATOM 2070 ND2 ASN A 125 33.219 -1.990 -14.164 1.00 14.52 N ATOM 0 H ASN A 125 34.111 -2.354 -10.284 1.00 2.02 H new ATOM 0 HA ASN A 125 33.590 -4.967 -11.579 1.00 34.45 H new ATOM 0 HB2 ASN A 125 35.092 -2.533 -12.621 1.00 64.35 H new ATOM 0 HB3 ASN A 125 35.200 -4.122 -13.353 1.00 64.35 H new ATOM 0 HD21 ASN A 125 32.399 -1.742 -14.717 1.00 14.52 H new ATOM 0 HD22 ASN A 125 33.984 -1.323 -14.059 1.00 14.52 H new ATOM 2077 N ASP A 126 35.402 -5.463 -9.782 1.00 65.25 N ATOM 2078 CA ASP A 126 36.560 -6.006 -9.081 1.00 0.00 C ATOM 2079 C ASP A 126 37.458 -4.885 -8.565 1.00 74.34 C ATOM 2080 O ASP A 126 38.683 -4.976 -8.637 1.00 74.42 O ATOM 2081 CB ASP A 126 37.356 -6.930 -10.004 1.00 51.44 C ATOM 2082 CG ASP A 126 38.156 -7.964 -9.238 1.00 65.33 C ATOM 2083 OD1 ASP A 126 37.804 -8.244 -8.074 1.00 15.23 O ATOM 2084 OD2 ASP A 126 39.137 -8.494 -9.803 1.00 54.01 O ATOM 0 H ASP A 126 34.504 -5.806 -9.442 1.00 65.25 H new ATOM 0 HA ASP A 126 36.200 -6.581 -8.228 1.00 0.00 H new ATOM 0 HB2 ASP A 126 36.672 -7.436 -10.685 1.00 51.44 H new ATOM 0 HB3 ASP A 126 38.032 -6.333 -10.616 1.00 51.44 H new ATOM 2089 N GLU A 127 36.839 -3.829 -8.047 1.00 34.21 N ATOM 2090 CA GLU A 127 37.582 -2.690 -7.522 1.00 25.55 C ATOM 2091 C GLU A 127 36.879 -2.095 -6.305 1.00 73.24 C ATOM 2092 O GLU A 127 36.353 -0.982 -6.344 1.00 21.53 O ATOM 2093 CB GLU A 127 37.750 -1.620 -8.602 1.00 62.10 C ATOM 2094 CG GLU A 127 38.784 -0.562 -8.255 1.00 51.11 C ATOM 2095 CD GLU A 127 39.331 0.143 -9.481 1.00 65.21 C ATOM 2096 OE1 GLU A 127 39.479 -0.519 -10.530 1.00 12.50 O ATOM 2097 OE2 GLU A 127 39.612 1.356 -9.391 1.00 43.41 O ATOM 0 H GLU A 127 35.825 -3.739 -7.980 1.00 34.21 H new ATOM 0 HA GLU A 127 38.567 -3.042 -7.214 1.00 25.55 H new ATOM 0 HB2 GLU A 127 38.035 -2.102 -9.537 1.00 62.10 H new ATOM 0 HB3 GLU A 127 36.789 -1.135 -8.773 1.00 62.10 H new ATOM 0 HG2 GLU A 127 38.336 0.174 -7.587 1.00 51.11 H new ATOM 0 HG3 GLU A 127 39.606 -1.027 -7.711 1.00 51.11 H new ATOM 2104 N PRO A 128 36.867 -2.853 -5.199 1.00 70.51 N ATOM 2105 CA PRO A 128 36.231 -2.422 -3.951 1.00 24.35 C ATOM 2106 C PRO A 128 36.988 -1.281 -3.279 1.00 31.42 C ATOM 2107 O PRO A 128 38.204 -1.158 -3.426 1.00 52.32 O ATOM 2108 CB PRO A 128 36.274 -3.679 -3.078 1.00 65.30 C ATOM 2109 CG PRO A 128 37.424 -4.467 -3.605 1.00 4.45 C ATOM 2110 CD PRO A 128 37.474 -4.190 -5.082 1.00 31.02 C ATOM 0 HA PRO A 128 35.225 -2.037 -4.118 1.00 24.35 H new ATOM 0 HB2 PRO A 128 36.415 -3.427 -2.027 1.00 65.30 H new ATOM 0 HB3 PRO A 128 35.343 -4.242 -3.148 1.00 65.30 H new ATOM 0 HG2 PRO A 128 38.355 -4.171 -3.121 1.00 4.45 H new ATOM 0 HG3 PRO A 128 37.289 -5.531 -3.412 1.00 4.45 H new ATOM 0 HD2 PRO A 128 38.497 -4.201 -5.459 1.00 31.02 H new ATOM 0 HD3 PRO A 128 36.917 -4.935 -5.650 1.00 31.02 H new ATOM 2118 N VAL A 129 36.261 -0.449 -2.540 1.00 33.30 N ATOM 2119 CA VAL A 129 36.864 0.681 -1.844 1.00 13.10 C ATOM 2120 C VAL A 129 38.021 0.229 -0.960 1.00 73.53 C ATOM 2121 O VAL A 129 38.010 -0.879 -0.423 1.00 31.04 O ATOM 2122 CB VAL A 129 35.829 1.423 -0.977 1.00 24.24 C ATOM 2123 CG1 VAL A 129 34.818 2.146 -1.853 1.00 32.23 C ATOM 2124 CG2 VAL A 129 35.133 0.454 -0.033 1.00 24.13 C ATOM 0 H VAL A 129 35.253 -0.537 -2.408 1.00 33.30 H new ATOM 0 HA VAL A 129 37.240 1.360 -2.609 1.00 13.10 H new ATOM 0 HB VAL A 129 36.351 2.168 -0.376 1.00 24.24 H new ATOM 0 HG11 VAL A 129 34.095 2.664 -1.223 1.00 32.23 H new ATOM 0 HG12 VAL A 129 35.335 2.870 -2.483 1.00 32.23 H new ATOM 0 HG13 VAL A 129 34.298 1.423 -2.482 1.00 32.23 H new ATOM 0 HG21 VAL A 129 34.405 0.995 0.572 1.00 24.13 H new ATOM 0 HG22 VAL A 129 34.623 -0.315 -0.613 1.00 24.13 H new ATOM 0 HG23 VAL A 129 35.872 -0.013 0.619 1.00 24.13 H new ATOM 2134 N LYS A 130 39.019 1.093 -0.814 1.00 20.04 N ATOM 2135 CA LYS A 130 40.184 0.785 0.007 1.00 65.45 C ATOM 2136 C LYS A 130 39.851 0.898 1.491 1.00 40.54 C ATOM 2137 O LYS A 130 39.862 1.992 2.058 1.00 65.22 O ATOM 2138 CB LYS A 130 41.341 1.724 -0.341 1.00 3.43 C ATOM 2139 CG LYS A 130 42.171 1.256 -1.524 1.00 10.53 C ATOM 2140 CD LYS A 130 43.208 0.227 -1.105 1.00 54.35 C ATOM 2141 CE LYS A 130 43.781 -0.507 -2.308 1.00 34.11 C ATOM 2142 NZ LYS A 130 44.276 -1.864 -1.945 1.00 0.31 N ATOM 0 H LYS A 130 39.045 2.013 -1.254 1.00 20.04 H new ATOM 0 HA LYS A 130 40.483 -0.242 -0.202 1.00 65.45 H new ATOM 0 HB2 LYS A 130 40.941 2.714 -0.558 1.00 3.43 H new ATOM 0 HB3 LYS A 130 41.989 1.826 0.529 1.00 3.43 H new ATOM 0 HG2 LYS A 130 41.516 0.826 -2.282 1.00 10.53 H new ATOM 0 HG3 LYS A 130 42.669 2.111 -1.981 1.00 10.53 H new ATOM 0 HD2 LYS A 130 44.013 0.721 -0.561 1.00 54.35 H new ATOM 0 HD3 LYS A 130 42.755 -0.491 -0.421 1.00 54.35 H new ATOM 0 HE2 LYS A 130 43.015 -0.594 -3.079 1.00 34.11 H new ATOM 0 HE3 LYS A 130 44.598 0.076 -2.734 1.00 34.11 H new ATOM 0 HZ1 LYS A 130 44.659 -2.332 -2.791 1.00 0.31 H new ATOM 0 HZ2 LYS A 130 45.024 -1.780 -1.228 1.00 0.31 H new ATOM 0 HZ3 LYS A 130 43.491 -2.429 -1.562 1.00 0.31 H new ATOM 2156 N LEU A 131 39.556 -0.236 2.115 1.00 72.53 N ATOM 2157 CA LEU A 131 39.221 -0.264 3.534 1.00 34.32 C ATOM 2158 C LEU A 131 40.462 -0.038 4.391 1.00 31.23 C ATOM 2159 O LEU A 131 40.372 0.467 5.510 1.00 3.41 O ATOM 2160 CB LEU A 131 38.571 -1.600 3.899 1.00 64.50 C ATOM 2161 CG LEU A 131 37.073 -1.718 3.617 1.00 42.01 C ATOM 2162 CD1 LEU A 131 36.298 -0.673 4.404 1.00 42.42 C ATOM 2163 CD2 LEU A 131 36.799 -1.578 2.127 1.00 75.24 C ATOM 0 H LEU A 131 39.542 -1.149 1.661 1.00 72.53 H new ATOM 0 HA LEU A 131 38.514 0.542 3.731 1.00 34.32 H new ATOM 0 HB2 LEU A 131 39.086 -2.392 3.355 1.00 64.50 H new ATOM 0 HB3 LEU A 131 38.736 -1.783 4.961 1.00 64.50 H new ATOM 0 HG LEU A 131 36.739 -2.705 3.937 1.00 42.01 H new ATOM 0 HD11 LEU A 131 35.234 -0.772 4.191 1.00 42.42 H new ATOM 0 HD12 LEU A 131 36.470 -0.820 5.470 1.00 42.42 H new ATOM 0 HD13 LEU A 131 36.634 0.323 4.116 1.00 42.42 H new ATOM 0 HD21 LEU A 131 35.728 -1.665 1.944 1.00 75.24 H new ATOM 0 HD22 LEU A 131 37.148 -0.605 1.783 1.00 75.24 H new ATOM 0 HD23 LEU A 131 37.324 -2.364 1.585 1.00 75.24 H new ATOM 2175 N SER A 132 41.620 -0.414 3.858 1.00 73.33 N ATOM 2176 CA SER A 132 42.880 -0.254 4.574 1.00 35.14 C ATOM 2177 C SER A 132 43.687 0.907 4.001 1.00 32.31 C ATOM 2178 O SER A 132 44.820 0.729 3.555 1.00 31.43 O ATOM 2179 CB SER A 132 43.699 -1.544 4.503 1.00 32.22 C ATOM 2180 OG SER A 132 44.059 -1.846 3.166 1.00 21.44 O ATOM 0 H SER A 132 41.712 -0.832 2.932 1.00 73.33 H new ATOM 0 HA SER A 132 42.651 -0.035 5.617 1.00 35.14 H new ATOM 0 HB2 SER A 132 44.598 -1.442 5.111 1.00 32.22 H new ATOM 0 HB3 SER A 132 43.122 -2.368 4.923 1.00 32.22 H new ATOM 0 HG SER A 132 44.573 -1.101 2.789 1.00 21.44 H new ATOM 2186 N ALA A 133 43.094 2.096 4.017 1.00 50.04 N ATOM 2187 CA ALA A 133 43.757 3.287 3.501 1.00 63.03 C ATOM 2188 C ALA A 133 44.571 3.977 4.590 1.00 44.32 C ATOM 2189 O ALA A 133 44.539 3.573 5.753 1.00 71.12 O ATOM 2190 CB ALA A 133 42.734 4.249 2.914 1.00 25.51 C ATOM 0 H ALA A 133 42.156 2.260 4.382 1.00 50.04 H new ATOM 0 HA ALA A 133 44.443 2.978 2.712 1.00 63.03 H new ATOM 0 HB1 ALA A 133 43.244 5.134 2.533 1.00 25.51 H new ATOM 0 HB2 ALA A 133 42.199 3.759 2.100 1.00 25.51 H new ATOM 0 HB3 ALA A 133 42.026 4.544 3.688 1.00 25.51 H new TER 2196 ALA A 133