USER MOD reduce.3.24.130724 H: found=0, std=0, add=916, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 910 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 34 HIS HE2 : A 34 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 201 ZNZN :(H bumps) USER MOD Set 1.1: A 46 MET CE :methyl 162:sc= -0.607 (180deg=-0.415) USER MOD Set 1.2: A 50 HIS : no HE2:sc= -2.2 X(o=-6.8,f=-6.6) USER MOD Set 1.3: A 74 MET CE :methyl -118:sc= -4.04! (180deg=-3.93!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -73:sc= 0.0403 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= -0.04 X(o=-0.04,f=0) USER MOD Single : A 14 GLN : amide:sc= -5.64! C(o=-5.6!,f=-8!) USER MOD Single : A 15 HIS : no HD1:sc= -1.17 X(o=-1.2,f=-0.96) USER MOD Single : A 16 THR OG1 : rot 120:sc= -0.507 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -72:sc= 0.931 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -77:sc= 0.0315 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 42 ASN : amide:sc= -0.0658 K(o=-0.066,f=-2.5!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -0.163 X(o=-0.16,f=-0.39) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 174:sc= 0.929 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -7.84! C(o=-7.8!,f=-8.5!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 ASN : amide:sc= -1.15 X(o=-1.1,f=-0.99) USER MOD Single : A 70 THR OG1 : rot 180:sc=-0.00514 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -0.0682 K(o=-0.068,f=-0.76) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.752 K(o=-0.75,f=-1.8!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= -0.0553 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 GLN : amide:sc= -1.56! C(o=-1.6!,f=-1.5!) USER MOD Single : A 107 TYR OH : rot 2:sc= 0.669 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= -0.0163 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 101:sc= 0.0438 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 33.552 -5.495 4.410 1.00 0.00 N ATOM 2 CA GLY A 1 32.165 -5.190 4.109 1.00 0.00 C ATOM 3 C GLY A 1 31.547 -4.243 5.119 1.00 0.00 C ATOM 4 O GLY A 1 31.037 -4.674 6.152 1.00 0.00 O ATOM 0 H1 GLY A 1 33.928 -6.145 3.691 1.00 0.00 H new ATOM 0 H2 GLY A 1 34.109 -4.617 4.408 1.00 0.00 H new ATOM 0 H3 GLY A 1 33.614 -5.942 5.347 1.00 0.00 H new ATOM 0 HA2 GLY A 1 32.101 -4.748 3.115 1.00 0.00 H new ATOM 0 HA3 GLY A 1 31.590 -6.116 4.084 1.00 0.00 H new ATOM 8 N SER A 2 31.595 -2.948 4.820 1.00 0.00 N ATOM 9 CA SER A 2 31.041 -1.937 5.712 1.00 0.00 C ATOM 10 C SER A 2 29.561 -2.198 5.976 1.00 0.00 C ATOM 11 O SER A 2 28.750 -2.227 5.050 1.00 0.00 O ATOM 12 CB SER A 2 31.226 -0.542 5.113 1.00 0.00 C ATOM 13 OG SER A 2 32.599 -0.246 4.924 1.00 0.00 O ATOM 0 H SER A 2 32.012 -2.575 3.967 1.00 0.00 H new ATOM 0 HA SER A 2 31.576 -1.991 6.660 1.00 0.00 H new ATOM 0 HB2 SER A 2 30.703 -0.480 4.159 1.00 0.00 H new ATOM 0 HB3 SER A 2 30.778 0.202 5.771 1.00 0.00 H new ATOM 0 HG SER A 2 32.690 0.650 4.538 1.00 0.00 H new ATOM 19 N SER A 3 29.217 -2.386 7.246 1.00 0.00 N ATOM 20 CA SER A 3 27.836 -2.648 7.633 1.00 0.00 C ATOM 21 C SER A 3 27.663 -2.533 9.144 1.00 0.00 C ATOM 22 O SER A 3 28.640 -2.527 9.893 1.00 0.00 O ATOM 23 CB SER A 3 27.408 -4.040 7.164 1.00 0.00 C ATOM 24 OG SER A 3 28.218 -5.046 7.747 1.00 0.00 O ATOM 0 H SER A 3 29.876 -2.362 8.024 1.00 0.00 H new ATOM 0 HA SER A 3 27.203 -1.900 7.155 1.00 0.00 H new ATOM 0 HB2 SER A 3 26.364 -4.211 7.428 1.00 0.00 H new ATOM 0 HB3 SER A 3 27.476 -4.098 6.078 1.00 0.00 H new ATOM 0 HG SER A 3 29.107 -5.029 7.336 1.00 0.00 H new ATOM 30 N GLY A 4 26.413 -2.442 9.586 1.00 0.00 N ATOM 31 CA GLY A 4 26.134 -2.328 11.006 1.00 0.00 C ATOM 32 C GLY A 4 24.933 -1.449 11.292 1.00 0.00 C ATOM 33 O GLY A 4 23.927 -1.915 11.828 1.00 0.00 O ATOM 0 H GLY A 4 25.588 -2.445 8.986 1.00 0.00 H new ATOM 0 HA2 GLY A 4 25.960 -3.321 11.420 1.00 0.00 H new ATOM 0 HA3 GLY A 4 27.008 -1.920 11.513 1.00 0.00 H new ATOM 37 N SER A 5 25.037 -0.173 10.935 1.00 0.00 N ATOM 38 CA SER A 5 23.953 0.776 11.162 1.00 0.00 C ATOM 39 C SER A 5 22.596 0.101 10.985 1.00 0.00 C ATOM 40 O SER A 5 22.460 -0.856 10.223 1.00 0.00 O ATOM 41 CB SER A 5 24.075 1.961 10.203 1.00 0.00 C ATOM 42 OG SER A 5 25.039 2.892 10.663 1.00 0.00 O ATOM 0 H SER A 5 25.861 0.228 10.487 1.00 0.00 H new ATOM 0 HA SER A 5 24.029 1.139 12.187 1.00 0.00 H new ATOM 0 HB2 SER A 5 24.354 1.603 9.212 1.00 0.00 H new ATOM 0 HB3 SER A 5 23.108 2.453 10.104 1.00 0.00 H new ATOM 0 HG SER A 5 25.099 3.639 10.032 1.00 0.00 H new ATOM 48 N SER A 6 21.593 0.608 11.695 1.00 0.00 N ATOM 49 CA SER A 6 20.246 0.053 11.621 1.00 0.00 C ATOM 50 C SER A 6 19.233 1.134 11.253 1.00 0.00 C ATOM 51 O SER A 6 18.563 1.048 10.226 1.00 0.00 O ATOM 52 CB SER A 6 19.862 -0.589 12.955 1.00 0.00 C ATOM 53 OG SER A 6 20.801 -1.581 13.332 1.00 0.00 O ATOM 0 H SER A 6 21.688 1.402 12.328 1.00 0.00 H new ATOM 0 HA SER A 6 20.236 -0.710 10.843 1.00 0.00 H new ATOM 0 HB2 SER A 6 19.807 0.177 13.728 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.870 -1.034 12.876 1.00 0.00 H new ATOM 0 HG SER A 6 20.534 -1.975 14.189 1.00 0.00 H new ATOM 59 N GLY A 7 19.128 2.151 12.103 1.00 0.00 N ATOM 60 CA GLY A 7 18.196 3.234 11.851 1.00 0.00 C ATOM 61 C GLY A 7 18.224 4.289 12.940 1.00 0.00 C ATOM 62 O GLY A 7 19.270 4.547 13.534 1.00 0.00 O ATOM 0 H GLY A 7 19.672 2.244 12.961 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.433 3.698 10.894 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.187 2.829 11.768 1.00 0.00 H new ATOM 66 N GLU A 8 17.073 4.900 13.199 1.00 0.00 N ATOM 67 CA GLU A 8 16.972 5.935 14.222 1.00 0.00 C ATOM 68 C GLU A 8 15.603 5.901 14.897 1.00 0.00 C ATOM 69 O GLU A 8 14.561 5.882 14.242 1.00 0.00 O ATOM 70 CB GLU A 8 17.217 7.315 13.609 1.00 0.00 C ATOM 71 CG GLU A 8 17.303 8.431 14.637 1.00 0.00 C ATOM 72 CD GLU A 8 18.711 8.632 15.163 1.00 0.00 C ATOM 73 OE1 GLU A 8 19.645 8.716 14.339 1.00 0.00 O ATOM 74 OE2 GLU A 8 18.878 8.704 16.399 1.00 0.00 O ATOM 0 H GLU A 8 16.198 4.697 12.716 1.00 0.00 H new ATOM 0 HA GLU A 8 17.735 5.740 14.976 1.00 0.00 H new ATOM 0 HB2 GLU A 8 18.143 7.289 13.035 1.00 0.00 H new ATOM 0 HB3 GLU A 8 16.413 7.540 12.908 1.00 0.00 H new ATOM 0 HG2 GLU A 8 16.950 9.360 14.189 1.00 0.00 H new ATOM 0 HG3 GLU A 8 16.637 8.205 15.470 1.00 0.00 H new ATOM 81 N PRO A 9 15.605 5.892 16.238 1.00 0.00 N ATOM 82 CA PRO A 9 14.373 5.861 17.031 1.00 0.00 C ATOM 83 C PRO A 9 13.593 7.168 16.943 1.00 0.00 C ATOM 84 O PRO A 9 14.159 8.251 17.095 1.00 0.00 O ATOM 85 CB PRO A 9 14.876 5.633 18.459 1.00 0.00 C ATOM 86 CG PRO A 9 16.266 6.170 18.461 1.00 0.00 C ATOM 87 CD PRO A 9 16.811 5.913 17.084 1.00 0.00 C ATOM 0 HA PRO A 9 13.682 5.094 16.680 1.00 0.00 H new ATOM 0 HB2 PRO A 9 14.251 6.150 19.186 1.00 0.00 H new ATOM 0 HB3 PRO A 9 14.860 4.575 18.720 1.00 0.00 H new ATOM 0 HG2 PRO A 9 16.272 7.236 18.691 1.00 0.00 H new ATOM 0 HG3 PRO A 9 16.874 5.677 19.220 1.00 0.00 H new ATOM 0 HD2 PRO A 9 17.505 6.694 16.774 1.00 0.00 H new ATOM 0 HD3 PRO A 9 17.352 4.968 17.036 1.00 0.00 H new ATOM 95 N ALA A 10 12.292 7.060 16.698 1.00 0.00 N ATOM 96 CA ALA A 10 11.434 8.234 16.593 1.00 0.00 C ATOM 97 C ALA A 10 10.687 8.488 17.898 1.00 0.00 C ATOM 98 O ALA A 10 10.012 7.600 18.421 1.00 0.00 O ATOM 99 CB ALA A 10 10.451 8.068 15.444 1.00 0.00 C ATOM 0 H ALA A 10 11.808 6.171 16.568 1.00 0.00 H new ATOM 0 HA ALA A 10 12.067 9.099 16.394 1.00 0.00 H new ATOM 0 HB1 ALA A 10 9.817 8.952 15.377 1.00 0.00 H new ATOM 0 HB2 ALA A 10 11.000 7.944 14.511 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.831 7.189 15.620 1.00 0.00 H new ATOM 105 N HIS A 11 10.813 9.703 18.420 1.00 0.00 N ATOM 106 CA HIS A 11 10.150 10.073 19.665 1.00 0.00 C ATOM 107 C HIS A 11 8.853 10.827 19.387 1.00 0.00 C ATOM 108 O HIS A 11 8.561 11.179 18.245 1.00 0.00 O ATOM 109 CB HIS A 11 11.077 10.931 20.527 1.00 0.00 C ATOM 110 CG HIS A 11 11.127 12.367 20.106 1.00 0.00 C ATOM 111 ND1 HIS A 11 10.884 13.414 20.970 1.00 0.00 N ATOM 112 CD2 HIS A 11 11.396 12.929 18.904 1.00 0.00 C ATOM 113 CE1 HIS A 11 10.999 14.557 20.317 1.00 0.00 C ATOM 114 NE2 HIS A 11 11.310 14.290 19.062 1.00 0.00 N ATOM 0 H HIS A 11 11.368 10.449 18.000 1.00 0.00 H new ATOM 0 HA HIS A 11 9.909 9.157 20.205 1.00 0.00 H new ATOM 0 HB2 HIS A 11 10.748 10.876 21.565 1.00 0.00 H new ATOM 0 HB3 HIS A 11 12.084 10.515 20.489 1.00 0.00 H new ATOM 0 HD2 HIS A 11 11.634 12.404 17.991 1.00 0.00 H new ATOM 0 HE1 HIS A 11 10.862 15.542 20.738 1.00 0.00 H new ATOM 0 HE2 HIS A 11 11.462 14.983 18.329 1.00 0.00 H new ATOM 122 N GLY A 12 8.078 11.071 20.439 1.00 0.00 N ATOM 123 CA GLY A 12 6.821 11.781 20.287 1.00 0.00 C ATOM 124 C GLY A 12 5.668 10.853 19.959 1.00 0.00 C ATOM 125 O GLY A 12 5.659 9.693 20.371 1.00 0.00 O ATOM 0 H GLY A 12 8.298 10.790 21.394 1.00 0.00 H new ATOM 0 HA2 GLY A 12 6.598 12.321 21.207 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.921 12.525 19.497 1.00 0.00 H new ATOM 129 N ARG A 13 4.691 11.365 19.217 1.00 0.00 N ATOM 130 CA ARG A 13 3.526 10.576 18.837 1.00 0.00 C ATOM 131 C ARG A 13 3.165 10.810 17.373 1.00 0.00 C ATOM 132 O ARG A 13 3.294 11.922 16.863 1.00 0.00 O ATOM 133 CB ARG A 13 2.334 10.924 19.730 1.00 0.00 C ATOM 134 CG ARG A 13 1.009 10.385 19.215 1.00 0.00 C ATOM 135 CD ARG A 13 -0.008 10.243 20.337 1.00 0.00 C ATOM 136 NE ARG A 13 -0.767 11.472 20.546 1.00 0.00 N ATOM 137 CZ ARG A 13 -1.953 11.511 21.145 1.00 0.00 C ATOM 138 NH1 ARG A 13 -2.510 10.393 21.591 1.00 0.00 N ATOM 139 NH2 ARG A 13 -2.583 12.668 21.298 1.00 0.00 N ATOM 0 H ARG A 13 4.684 12.323 18.867 1.00 0.00 H new ATOM 0 HA ARG A 13 3.773 9.523 18.968 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.513 10.530 20.730 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.264 12.008 19.823 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.616 11.053 18.449 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.168 9.416 18.742 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.694 9.429 20.104 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.506 9.973 21.260 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.365 12.349 20.214 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.028 9.502 21.475 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.420 10.425 22.050 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.158 13.530 20.956 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.493 12.696 21.758 1.00 0.00 H new ATOM 153 N GLN A 14 2.713 9.754 16.705 1.00 0.00 N ATOM 154 CA GLN A 14 2.335 9.844 15.299 1.00 0.00 C ATOM 155 C GLN A 14 1.516 8.629 14.876 1.00 0.00 C ATOM 156 O GLN A 14 1.930 7.487 15.082 1.00 0.00 O ATOM 157 CB GLN A 14 3.581 9.966 14.421 1.00 0.00 C ATOM 158 CG GLN A 14 4.594 8.856 14.645 1.00 0.00 C ATOM 159 CD GLN A 14 5.092 8.800 16.076 1.00 0.00 C ATOM 160 OE1 GLN A 14 5.417 9.827 16.673 1.00 0.00 O ATOM 161 NE2 GLN A 14 5.153 7.598 16.636 1.00 0.00 N ATOM 0 H GLN A 14 2.599 8.827 17.114 1.00 0.00 H new ATOM 0 HA GLN A 14 1.720 10.735 15.170 1.00 0.00 H new ATOM 0 HB2 GLN A 14 3.279 9.965 13.374 1.00 0.00 H new ATOM 0 HB3 GLN A 14 4.059 10.927 14.614 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.142 7.899 14.384 1.00 0.00 H new ATOM 0 HG3 GLN A 14 5.441 9.002 13.975 1.00 0.00 H new ATOM 0 HE21 GLN A 14 4.874 6.773 16.105 1.00 0.00 H new ATOM 0 HE22 GLN A 14 5.479 7.499 17.597 1.00 0.00 H new ATOM 170 N HIS A 15 0.353 8.881 14.285 1.00 0.00 N ATOM 171 CA HIS A 15 -0.524 7.807 13.833 1.00 0.00 C ATOM 172 C HIS A 15 -1.022 8.073 12.415 1.00 0.00 C ATOM 173 O HIS A 15 -1.401 9.195 12.079 1.00 0.00 O ATOM 174 CB HIS A 15 -1.711 7.655 14.783 1.00 0.00 C ATOM 175 CG HIS A 15 -1.321 7.236 16.167 1.00 0.00 C ATOM 176 ND1 HIS A 15 -0.713 8.085 17.067 1.00 0.00 N ATOM 177 CD2 HIS A 15 -1.457 6.049 16.804 1.00 0.00 C ATOM 178 CE1 HIS A 15 -0.490 7.439 18.198 1.00 0.00 C ATOM 179 NE2 HIS A 15 -0.933 6.201 18.064 1.00 0.00 N ATOM 0 H HIS A 15 -0.004 9.820 14.108 1.00 0.00 H new ATOM 0 HA HIS A 15 0.049 6.880 13.830 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -2.247 8.603 14.837 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -2.403 6.921 14.371 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -1.896 5.150 16.397 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -0.025 7.852 19.081 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -0.892 5.476 18.780 1.00 0.00 H new ATOM 187 N THR A 16 -1.018 7.033 11.587 1.00 0.00 N ATOM 188 CA THR A 16 -1.468 7.155 10.206 1.00 0.00 C ATOM 189 C THR A 16 -2.745 6.356 9.971 1.00 0.00 C ATOM 190 O THR A 16 -2.805 5.150 10.213 1.00 0.00 O ATOM 191 CB THR A 16 -0.387 6.675 9.219 1.00 0.00 C ATOM 192 OG1 THR A 16 -0.830 6.874 7.872 1.00 0.00 O ATOM 193 CG2 THR A 16 -0.065 5.205 9.441 1.00 0.00 C ATOM 0 H THR A 16 -0.708 6.097 11.849 1.00 0.00 H new ATOM 0 HA THR A 16 -1.667 8.212 10.030 1.00 0.00 H new ATOM 0 HB THR A 16 0.517 7.258 9.393 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.210 7.475 7.409 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.701 4.889 8.732 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.301 5.062 10.458 1.00 0.00 H new ATOM 0 HG23 THR A 16 -0.965 4.609 9.292 1.00 0.00 H new ATOM 201 N PRO A 17 -3.792 7.041 9.487 1.00 0.00 N ATOM 202 CA PRO A 17 -5.087 6.414 9.207 1.00 0.00 C ATOM 203 C PRO A 17 -5.027 5.469 8.012 1.00 0.00 C ATOM 204 O PRO A 17 -4.067 5.485 7.242 1.00 0.00 O ATOM 205 CB PRO A 17 -5.999 7.605 8.903 1.00 0.00 C ATOM 206 CG PRO A 17 -5.079 8.674 8.423 1.00 0.00 C ATOM 207 CD PRO A 17 -3.791 8.480 9.175 1.00 0.00 C ATOM 0 HA PRO A 17 -5.430 5.798 10.038 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -6.741 7.352 8.146 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -6.545 7.922 9.791 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.918 8.597 7.348 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.497 9.663 8.613 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -2.927 8.760 8.572 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -3.758 9.087 10.080 1.00 0.00 H new ATOM 215 N CYS A 18 -6.060 4.647 7.862 1.00 0.00 N ATOM 216 CA CYS A 18 -6.126 3.694 6.760 1.00 0.00 C ATOM 217 C CYS A 18 -6.579 4.380 5.474 1.00 0.00 C ATOM 218 O CYS A 18 -7.226 5.428 5.511 1.00 0.00 O ATOM 219 CB CYS A 18 -7.082 2.550 7.104 1.00 0.00 C ATOM 220 SG CYS A 18 -7.055 1.174 5.911 1.00 0.00 S ATOM 0 H CYS A 18 -6.863 4.621 8.490 1.00 0.00 H new ATOM 0 HA CYS A 18 -5.126 3.289 6.603 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.830 2.165 8.092 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.096 2.944 7.165 1.00 0.00 H new ATOM 225 N LEU A 19 -6.234 3.783 4.339 1.00 0.00 N ATOM 226 CA LEU A 19 -6.604 4.335 3.041 1.00 0.00 C ATOM 227 C LEU A 19 -8.067 4.044 2.722 1.00 0.00 C ATOM 228 O LEU A 19 -8.807 4.927 2.287 1.00 0.00 O ATOM 229 CB LEU A 19 -5.707 3.758 1.944 1.00 0.00 C ATOM 230 CG LEU A 19 -4.206 3.754 2.238 1.00 0.00 C ATOM 231 CD1 LEU A 19 -3.821 4.969 3.067 1.00 0.00 C ATOM 232 CD2 LEU A 19 -3.806 2.471 2.951 1.00 0.00 C ATOM 0 H LEU A 19 -5.698 2.916 4.291 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.468 5.416 3.082 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.021 2.733 1.747 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.876 4.325 1.028 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.670 3.802 1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.750 4.949 3.266 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.071 5.877 2.519 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.366 4.953 4.011 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.735 2.485 3.152 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.351 2.392 3.892 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.045 1.615 2.321 1.00 0.00 H new ATOM 244 N PHE A 20 -8.479 2.800 2.944 1.00 0.00 N ATOM 245 CA PHE A 20 -9.854 2.392 2.682 1.00 0.00 C ATOM 246 C PHE A 20 -10.776 2.824 3.819 1.00 0.00 C ATOM 247 O PHE A 20 -11.831 3.416 3.587 1.00 0.00 O ATOM 248 CB PHE A 20 -9.932 0.875 2.496 1.00 0.00 C ATOM 249 CG PHE A 20 -9.048 0.360 1.396 1.00 0.00 C ATOM 250 CD1 PHE A 20 -9.521 0.261 0.098 1.00 0.00 C ATOM 251 CD2 PHE A 20 -7.744 -0.025 1.662 1.00 0.00 C ATOM 252 CE1 PHE A 20 -8.709 -0.213 -0.915 1.00 0.00 C ATOM 253 CE2 PHE A 20 -6.927 -0.500 0.652 1.00 0.00 C ATOM 254 CZ PHE A 20 -7.411 -0.593 -0.638 1.00 0.00 C ATOM 0 H PHE A 20 -7.880 2.057 3.305 1.00 0.00 H new ATOM 0 HA PHE A 20 -10.183 2.881 1.765 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -9.656 0.388 3.431 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -10.964 0.596 2.283 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -10.535 0.557 -0.125 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -7.361 0.047 2.669 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -9.090 -0.286 -1.923 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -5.912 -0.798 0.872 1.00 0.00 H new ATOM 0 HZ PHE A 20 -6.775 -0.962 -1.429 1.00 0.00 H new ATOM 264 N CYS A 21 -10.370 2.525 5.048 1.00 0.00 N ATOM 265 CA CYS A 21 -11.158 2.880 6.222 1.00 0.00 C ATOM 266 C CYS A 21 -10.500 4.021 6.993 1.00 0.00 C ATOM 267 O CYS A 21 -9.487 4.573 6.562 1.00 0.00 O ATOM 268 CB CYS A 21 -11.328 1.664 7.135 1.00 0.00 C ATOM 269 SG CYS A 21 -9.790 1.123 7.946 1.00 0.00 S ATOM 0 H CYS A 21 -9.499 2.037 5.257 1.00 0.00 H new ATOM 0 HA CYS A 21 -12.140 3.212 5.884 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -12.067 1.899 7.901 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -11.728 0.836 6.549 1.00 0.00 H new ATOM 274 N ASP A 22 -11.083 4.369 8.135 1.00 0.00 N ATOM 275 CA ASP A 22 -10.553 5.442 8.968 1.00 0.00 C ATOM 276 C ASP A 22 -9.890 4.881 10.222 1.00 0.00 C ATOM 277 O ASP A 22 -10.070 5.409 11.320 1.00 0.00 O ATOM 278 CB ASP A 22 -11.670 6.413 9.357 1.00 0.00 C ATOM 279 CG ASP A 22 -12.111 7.282 8.196 1.00 0.00 C ATOM 280 OD1 ASP A 22 -12.760 6.751 7.269 1.00 0.00 O ATOM 281 OD2 ASP A 22 -11.810 8.494 8.214 1.00 0.00 O ATOM 0 H ASP A 22 -11.923 3.924 8.505 1.00 0.00 H new ATOM 0 HA ASP A 22 -9.800 5.978 8.391 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -12.525 5.849 9.730 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -11.327 7.049 10.173 1.00 0.00 H new ATOM 286 N ARG A 23 -9.126 3.808 10.051 1.00 0.00 N ATOM 287 CA ARG A 23 -8.438 3.174 11.169 1.00 0.00 C ATOM 288 C ARG A 23 -7.050 3.776 11.366 1.00 0.00 C ATOM 289 O ARG A 23 -6.222 3.765 10.454 1.00 0.00 O ATOM 290 CB ARG A 23 -8.324 1.666 10.936 1.00 0.00 C ATOM 291 CG ARG A 23 -9.583 0.896 11.300 1.00 0.00 C ATOM 292 CD ARG A 23 -9.357 -0.606 11.232 1.00 0.00 C ATOM 293 NE ARG A 23 -10.519 -1.356 11.701 1.00 0.00 N ATOM 294 CZ ARG A 23 -11.575 -1.624 10.941 1.00 0.00 C ATOM 295 NH1 ARG A 23 -11.615 -1.206 9.684 1.00 0.00 N ATOM 296 NH2 ARG A 23 -12.594 -2.313 11.439 1.00 0.00 N ATOM 0 H ARG A 23 -8.968 3.359 9.149 1.00 0.00 H new ATOM 0 HA ARG A 23 -9.023 3.352 12.071 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.089 1.486 9.887 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.490 1.279 11.521 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.902 1.172 12.305 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.390 1.175 10.622 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.131 -0.892 10.205 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.488 -0.870 11.835 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.520 -1.692 12.664 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.833 -0.677 9.297 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.427 -1.414 9.103 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.567 -2.637 12.406 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.405 -2.518 10.855 1.00 0.00 H new ATOM 310 N LEU A 24 -6.802 4.300 12.561 1.00 0.00 N ATOM 311 CA LEU A 24 -5.514 4.907 12.878 1.00 0.00 C ATOM 312 C LEU A 24 -4.523 3.857 13.369 1.00 0.00 C ATOM 313 O LEU A 24 -4.885 2.946 14.114 1.00 0.00 O ATOM 314 CB LEU A 24 -5.688 5.995 13.939 1.00 0.00 C ATOM 315 CG LEU A 24 -6.320 7.303 13.462 1.00 0.00 C ATOM 316 CD1 LEU A 24 -6.746 8.155 14.648 1.00 0.00 C ATOM 317 CD2 LEU A 24 -5.352 8.070 12.573 1.00 0.00 C ATOM 0 H LEU A 24 -7.476 4.317 13.327 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.118 5.356 11.967 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.300 5.593 14.746 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.709 6.221 14.363 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.207 7.062 12.877 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.193 9.082 14.288 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.475 7.608 15.246 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.875 8.387 15.261 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.819 8.998 12.243 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.446 8.299 13.134 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.097 7.463 11.704 1.00 0.00 H new ATOM 329 N PHE A 25 -3.270 3.991 12.947 1.00 0.00 N ATOM 330 CA PHE A 25 -2.225 3.054 13.344 1.00 0.00 C ATOM 331 C PHE A 25 -0.957 3.796 13.755 1.00 0.00 C ATOM 332 O PHE A 25 -0.626 4.839 13.193 1.00 0.00 O ATOM 333 CB PHE A 25 -1.916 2.086 12.200 1.00 0.00 C ATOM 334 CG PHE A 25 -3.109 1.296 11.744 1.00 0.00 C ATOM 335 CD1 PHE A 25 -4.022 1.844 10.857 1.00 0.00 C ATOM 336 CD2 PHE A 25 -3.318 0.005 12.201 1.00 0.00 C ATOM 337 CE1 PHE A 25 -5.121 1.120 10.437 1.00 0.00 C ATOM 338 CE2 PHE A 25 -4.415 -0.725 11.784 1.00 0.00 C ATOM 339 CZ PHE A 25 -5.317 -0.167 10.900 1.00 0.00 C ATOM 0 H PHE A 25 -2.953 4.739 12.330 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.587 2.487 14.202 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.519 2.649 11.355 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -1.134 1.397 12.519 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.873 2.849 10.490 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -2.615 -0.437 12.892 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.826 1.560 9.747 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.566 -1.730 12.149 1.00 0.00 H new ATOM 0 HZ PHE A 25 -6.174 -0.736 10.571 1.00 0.00 H new ATOM 349 N ALA A 26 -0.251 3.249 14.740 1.00 0.00 N ATOM 350 CA ALA A 26 0.981 3.857 15.225 1.00 0.00 C ATOM 351 C ALA A 26 1.963 4.096 14.083 1.00 0.00 C ATOM 352 O ALA A 26 2.409 5.221 13.860 1.00 0.00 O ATOM 353 CB ALA A 26 1.616 2.982 16.296 1.00 0.00 C ATOM 0 H ALA A 26 -0.512 2.386 15.217 1.00 0.00 H new ATOM 0 HA ALA A 26 0.732 4.824 15.662 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.536 3.449 16.649 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.924 2.868 17.130 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.844 2.002 15.877 1.00 0.00 H new ATOM 359 N SER A 27 2.296 3.029 13.363 1.00 0.00 N ATOM 360 CA SER A 27 3.229 3.122 12.246 1.00 0.00 C ATOM 361 C SER A 27 2.539 2.770 10.932 1.00 0.00 C ATOM 362 O SER A 27 1.367 2.396 10.914 1.00 0.00 O ATOM 363 CB SER A 27 4.423 2.193 12.473 1.00 0.00 C ATOM 364 OG SER A 27 5.201 2.623 13.577 1.00 0.00 O ATOM 0 H SER A 27 1.934 2.091 13.533 1.00 0.00 H new ATOM 0 HA SER A 27 3.584 4.151 12.186 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.069 1.177 12.647 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.042 2.166 11.576 1.00 0.00 H new ATOM 0 HG SER A 27 5.957 2.012 13.702 1.00 0.00 H new ATOM 370 N ALA A 28 3.276 2.894 9.833 1.00 0.00 N ATOM 371 CA ALA A 28 2.738 2.588 8.513 1.00 0.00 C ATOM 372 C ALA A 28 2.522 1.088 8.343 1.00 0.00 C ATOM 373 O ALA A 28 1.441 0.648 7.951 1.00 0.00 O ATOM 374 CB ALA A 28 3.665 3.116 7.429 1.00 0.00 C ATOM 0 H ALA A 28 4.248 3.204 9.831 1.00 0.00 H new ATOM 0 HA ALA A 28 1.770 3.081 8.419 1.00 0.00 H new ATOM 0 HB1 ALA A 28 3.250 2.880 6.449 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.765 4.197 7.530 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.645 2.650 7.530 1.00 0.00 H new ATOM 380 N GLU A 29 3.557 0.308 8.639 1.00 0.00 N ATOM 381 CA GLU A 29 3.479 -1.143 8.516 1.00 0.00 C ATOM 382 C GLU A 29 2.217 -1.678 9.185 1.00 0.00 C ATOM 383 O GLU A 29 1.531 -2.540 8.638 1.00 0.00 O ATOM 384 CB GLU A 29 4.716 -1.796 9.138 1.00 0.00 C ATOM 385 CG GLU A 29 5.919 -1.825 8.211 1.00 0.00 C ATOM 386 CD GLU A 29 7.205 -2.172 8.935 1.00 0.00 C ATOM 387 OE1 GLU A 29 7.609 -1.399 9.829 1.00 0.00 O ATOM 388 OE2 GLU A 29 7.808 -3.216 8.609 1.00 0.00 O ATOM 0 H GLU A 29 4.458 0.656 8.965 1.00 0.00 H new ATOM 0 HA GLU A 29 3.440 -1.391 7.455 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.982 -1.258 10.048 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.469 -2.816 9.431 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.745 -2.553 7.419 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.027 -0.852 7.732 1.00 0.00 H new ATOM 395 N GLU A 30 1.919 -1.161 10.373 1.00 0.00 N ATOM 396 CA GLU A 30 0.740 -1.588 11.117 1.00 0.00 C ATOM 397 C GLU A 30 -0.504 -1.552 10.234 1.00 0.00 C ATOM 398 O GLU A 30 -1.295 -2.496 10.215 1.00 0.00 O ATOM 399 CB GLU A 30 0.534 -0.698 12.345 1.00 0.00 C ATOM 400 CG GLU A 30 1.239 -1.207 13.591 1.00 0.00 C ATOM 401 CD GLU A 30 0.574 -0.738 14.870 1.00 0.00 C ATOM 402 OE1 GLU A 30 0.080 0.409 14.895 1.00 0.00 O ATOM 403 OE2 GLU A 30 0.548 -1.516 15.846 1.00 0.00 O ATOM 0 H GLU A 30 2.477 -0.447 10.840 1.00 0.00 H new ATOM 0 HA GLU A 30 0.901 -2.615 11.445 1.00 0.00 H new ATOM 0 HB2 GLU A 30 0.893 0.306 12.120 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.534 -0.617 12.549 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.257 -2.297 13.574 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.276 -0.871 13.580 1.00 0.00 H new ATOM 410 N THR A 31 -0.672 -0.454 9.503 1.00 0.00 N ATOM 411 CA THR A 31 -1.819 -0.292 8.620 1.00 0.00 C ATOM 412 C THR A 31 -1.787 -1.309 7.484 1.00 0.00 C ATOM 413 O THR A 31 -2.687 -2.139 7.355 1.00 0.00 O ATOM 414 CB THR A 31 -1.872 1.126 8.022 1.00 0.00 C ATOM 415 OG1 THR A 31 -1.554 2.094 9.028 1.00 0.00 O ATOM 416 CG2 THR A 31 -3.249 1.420 7.446 1.00 0.00 C ATOM 0 H THR A 31 -0.027 0.336 9.506 1.00 0.00 H new ATOM 0 HA THR A 31 -2.710 -0.456 9.226 1.00 0.00 H new ATOM 0 HB THR A 31 -1.139 1.184 7.217 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.301 2.169 9.658 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.262 2.427 7.030 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.476 0.700 6.660 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.997 1.344 8.235 1.00 0.00 H new ATOM 424 N PHE A 32 -0.743 -1.239 6.664 1.00 0.00 N ATOM 425 CA PHE A 32 -0.594 -2.155 5.538 1.00 0.00 C ATOM 426 C PHE A 32 -1.079 -3.553 5.906 1.00 0.00 C ATOM 427 O PHE A 32 -2.033 -4.065 5.320 1.00 0.00 O ATOM 428 CB PHE A 32 0.869 -2.211 5.091 1.00 0.00 C ATOM 429 CG PHE A 32 1.346 -0.944 4.442 1.00 0.00 C ATOM 430 CD1 PHE A 32 0.581 -0.315 3.474 1.00 0.00 C ATOM 431 CD2 PHE A 32 2.561 -0.381 4.801 1.00 0.00 C ATOM 432 CE1 PHE A 32 1.019 0.851 2.874 1.00 0.00 C ATOM 433 CE2 PHE A 32 3.004 0.785 4.206 1.00 0.00 C ATOM 434 CZ PHE A 32 2.231 1.402 3.242 1.00 0.00 C ATOM 0 H PHE A 32 0.011 -0.559 6.758 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.205 -1.783 4.715 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.497 -2.426 5.956 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.996 -3.038 4.392 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.369 -0.740 3.184 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.169 -0.859 5.555 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.414 1.330 2.118 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.953 1.213 4.494 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.574 2.314 2.776 1.00 0.00 H new ATOM 444 N SER A 33 -0.415 -4.166 6.881 1.00 0.00 N ATOM 445 CA SER A 33 -0.775 -5.508 7.325 1.00 0.00 C ATOM 446 C SER A 33 -2.283 -5.627 7.525 1.00 0.00 C ATOM 447 O SER A 33 -2.903 -6.600 7.094 1.00 0.00 O ATOM 448 CB SER A 33 -0.048 -5.849 8.628 1.00 0.00 C ATOM 449 OG SER A 33 1.219 -6.426 8.368 1.00 0.00 O ATOM 0 H SER A 33 0.375 -3.755 7.378 1.00 0.00 H new ATOM 0 HA SER A 33 -0.471 -6.214 6.552 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.076 -4.946 9.226 1.00 0.00 H new ATOM 0 HB3 SER A 33 -0.652 -6.540 9.215 1.00 0.00 H new ATOM 0 HG SER A 33 1.664 -6.633 9.216 1.00 0.00 H new ATOM 455 N HIS A 34 -2.868 -4.630 8.182 1.00 0.00 N ATOM 456 CA HIS A 34 -4.304 -4.622 8.439 1.00 0.00 C ATOM 457 C HIS A 34 -5.090 -4.614 7.131 1.00 0.00 C ATOM 458 O HIS A 34 -6.110 -5.291 7.005 1.00 0.00 O ATOM 459 CB HIS A 34 -4.685 -3.407 9.284 1.00 0.00 C ATOM 460 CG HIS A 34 -6.065 -2.895 9.010 1.00 0.00 C ATOM 461 ND1 HIS A 34 -7.206 -3.607 9.315 1.00 0.00 N ATOM 462 CD2 HIS A 34 -6.485 -1.733 8.457 1.00 0.00 C ATOM 463 CE1 HIS A 34 -8.268 -2.906 8.959 1.00 0.00 C ATOM 464 NE2 HIS A 34 -7.858 -1.765 8.437 1.00 0.00 N ATOM 0 H HIS A 34 -2.370 -3.818 8.546 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.555 -5.530 8.988 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.607 -3.670 10.339 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.967 -2.608 9.101 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -7.227 -4.530 9.748 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.858 -0.930 8.098 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -9.297 -3.214 9.075 1.00 0.00 H new ATOM 472 N CYS A 35 -4.608 -3.843 6.162 1.00 0.00 N ATOM 473 CA CYS A 35 -5.267 -3.745 4.865 1.00 0.00 C ATOM 474 C CYS A 35 -5.044 -5.012 4.045 1.00 0.00 C ATOM 475 O CYS A 35 -5.832 -5.337 3.156 1.00 0.00 O ATOM 476 CB CYS A 35 -4.749 -2.528 4.097 1.00 0.00 C ATOM 477 SG CYS A 35 -4.736 -0.998 5.061 1.00 0.00 S ATOM 0 H CYS A 35 -3.764 -3.277 6.250 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.337 -3.628 5.036 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.737 -2.735 3.750 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.366 -2.381 3.211 1.00 0.00 H new ATOM 0 HG CYS A 35 -5.944 -0.525 5.140 1.00 0.00 H new ATOM 483 N LYS A 36 -3.963 -5.723 4.348 1.00 0.00 N ATOM 484 CA LYS A 36 -3.634 -6.954 3.639 1.00 0.00 C ATOM 485 C LYS A 36 -4.410 -8.136 4.212 1.00 0.00 C ATOM 486 O LYS A 36 -4.558 -9.170 3.559 1.00 0.00 O ATOM 487 CB LYS A 36 -2.131 -7.229 3.724 1.00 0.00 C ATOM 488 CG LYS A 36 -1.274 -6.106 3.165 1.00 0.00 C ATOM 489 CD LYS A 36 0.144 -6.164 3.706 1.00 0.00 C ATOM 490 CE LYS A 36 1.050 -6.994 2.809 1.00 0.00 C ATOM 491 NZ LYS A 36 2.439 -7.070 3.341 1.00 0.00 N ATOM 0 H LYS A 36 -3.300 -5.468 5.080 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.916 -6.828 2.594 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.859 -7.398 4.766 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.907 -8.149 3.184 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.252 -6.171 2.077 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.722 -5.145 3.418 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.543 -5.153 3.793 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.135 -6.590 4.709 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.642 -8.000 2.713 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.067 -6.560 1.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.025 -7.644 2.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.838 -6.112 3.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.426 -7.507 4.284 1.00 0.00 H new ATOM 505 N LEU A 37 -4.906 -7.975 5.434 1.00 0.00 N ATOM 506 CA LEU A 37 -5.670 -9.029 6.094 1.00 0.00 C ATOM 507 C LEU A 37 -7.167 -8.837 5.871 1.00 0.00 C ATOM 508 O LEU A 37 -7.888 -9.791 5.583 1.00 0.00 O ATOM 509 CB LEU A 37 -5.363 -9.046 7.592 1.00 0.00 C ATOM 510 CG LEU A 37 -3.905 -9.299 7.976 1.00 0.00 C ATOM 511 CD1 LEU A 37 -3.613 -8.743 9.361 1.00 0.00 C ATOM 512 CD2 LEU A 37 -3.589 -10.787 7.919 1.00 0.00 C ATOM 0 H LEU A 37 -4.793 -7.126 5.988 1.00 0.00 H new ATOM 0 HA LEU A 37 -5.377 -9.984 5.659 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.669 -8.089 8.016 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.979 -9.814 8.060 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.266 -8.784 7.259 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.571 -8.933 9.617 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.799 -7.669 9.369 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.260 -9.228 10.092 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.547 -10.949 8.195 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.236 -11.323 8.613 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.758 -11.156 6.907 1.00 0.00 H new ATOM 524 N GLU A 38 -7.626 -7.597 6.006 1.00 0.00 N ATOM 525 CA GLU A 38 -9.037 -7.281 5.819 1.00 0.00 C ATOM 526 C GLU A 38 -9.323 -6.909 4.366 1.00 0.00 C ATOM 527 O GLU A 38 -10.052 -7.612 3.666 1.00 0.00 O ATOM 528 CB GLU A 38 -9.452 -6.133 6.741 1.00 0.00 C ATOM 529 CG GLU A 38 -9.203 -6.415 8.213 1.00 0.00 C ATOM 530 CD GLU A 38 -10.356 -7.147 8.871 1.00 0.00 C ATOM 531 OE1 GLU A 38 -11.514 -6.713 8.694 1.00 0.00 O ATOM 532 OE2 GLU A 38 -10.101 -8.156 9.562 1.00 0.00 O ATOM 0 H GLU A 38 -7.042 -6.795 6.244 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.618 -8.168 6.071 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -8.907 -5.233 6.455 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.512 -5.925 6.594 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.295 -7.009 8.317 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -9.030 -5.474 8.735 1.00 0.00 H new ATOM 539 N HIS A 39 -8.743 -5.799 3.921 1.00 0.00 N ATOM 540 CA HIS A 39 -8.935 -5.332 2.552 1.00 0.00 C ATOM 541 C HIS A 39 -8.162 -6.205 1.568 1.00 0.00 C ATOM 542 O HIS A 39 -8.237 -6.004 0.356 1.00 0.00 O ATOM 543 CB HIS A 39 -8.488 -3.876 2.420 1.00 0.00 C ATOM 544 CG HIS A 39 -9.143 -2.957 3.405 1.00 0.00 C ATOM 545 ND1 HIS A 39 -10.479 -3.035 3.734 1.00 0.00 N ATOM 546 CD2 HIS A 39 -8.636 -1.937 4.135 1.00 0.00 C ATOM 547 CE1 HIS A 39 -10.767 -2.101 4.623 1.00 0.00 C ATOM 548 NE2 HIS A 39 -9.665 -1.421 4.884 1.00 0.00 N ATOM 0 H HIS A 39 -8.137 -5.206 4.488 1.00 0.00 H new ATOM 0 HA HIS A 39 -9.997 -5.401 2.316 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.407 -3.823 2.549 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -8.706 -3.528 1.410 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -11.142 -3.709 3.351 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -7.612 -1.593 4.130 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -11.738 -1.924 5.062 1.00 0.00 H new ATOM 556 N GLN A 40 -7.421 -7.173 2.097 1.00 0.00 N ATOM 557 CA GLN A 40 -6.634 -8.074 1.265 1.00 0.00 C ATOM 558 C GLN A 40 -5.932 -7.310 0.147 1.00 0.00 C ATOM 559 O GLN A 40 -5.657 -7.862 -0.919 1.00 0.00 O ATOM 560 CB GLN A 40 -7.528 -9.164 0.670 1.00 0.00 C ATOM 561 CG GLN A 40 -8.711 -9.529 1.552 1.00 0.00 C ATOM 562 CD GLN A 40 -9.155 -10.967 1.369 1.00 0.00 C ATOM 563 OE1 GLN A 40 -9.033 -11.532 0.282 1.00 0.00 O ATOM 564 NE2 GLN A 40 -9.673 -11.567 2.434 1.00 0.00 N ATOM 0 H GLN A 40 -7.349 -7.353 3.098 1.00 0.00 H new ATOM 0 HA GLN A 40 -5.875 -8.539 1.894 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -7.898 -8.830 -0.299 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -6.929 -10.057 0.492 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -8.445 -9.365 2.596 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -9.545 -8.864 1.328 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -9.755 -11.060 3.315 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -9.989 -12.535 2.371 1.00 0.00 H new ATOM 573 N PHE A 41 -5.646 -6.037 0.397 1.00 0.00 N ATOM 574 CA PHE A 41 -4.977 -5.196 -0.589 1.00 0.00 C ATOM 575 C PHE A 41 -3.484 -5.094 -0.295 1.00 0.00 C ATOM 576 O PHE A 41 -3.069 -4.401 0.633 1.00 0.00 O ATOM 577 CB PHE A 41 -5.601 -3.798 -0.606 1.00 0.00 C ATOM 578 CG PHE A 41 -4.699 -2.746 -1.183 1.00 0.00 C ATOM 579 CD1 PHE A 41 -4.616 -2.561 -2.554 1.00 0.00 C ATOM 580 CD2 PHE A 41 -3.934 -1.941 -0.355 1.00 0.00 C ATOM 581 CE1 PHE A 41 -3.786 -1.594 -3.088 1.00 0.00 C ATOM 582 CE2 PHE A 41 -3.102 -0.971 -0.883 1.00 0.00 C ATOM 583 CZ PHE A 41 -3.029 -0.797 -2.251 1.00 0.00 C ATOM 0 H PHE A 41 -5.867 -5.565 1.274 1.00 0.00 H new ATOM 0 HA PHE A 41 -5.106 -5.657 -1.568 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -6.525 -3.829 -1.183 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -5.870 -3.516 0.412 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -5.207 -3.180 -3.213 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.988 -2.073 0.716 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -3.729 -1.461 -4.158 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.510 -0.350 -0.227 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.381 -0.039 -2.666 1.00 0.00 H new ATOM 593 N ASN A 42 -2.681 -5.792 -1.091 1.00 0.00 N ATOM 594 CA ASN A 42 -1.233 -5.782 -0.916 1.00 0.00 C ATOM 595 C ASN A 42 -0.621 -4.521 -1.517 1.00 0.00 C ATOM 596 O ASN A 42 -0.606 -4.346 -2.736 1.00 0.00 O ATOM 597 CB ASN A 42 -0.612 -7.022 -1.563 1.00 0.00 C ATOM 598 CG ASN A 42 -1.343 -8.297 -1.189 1.00 0.00 C ATOM 599 OD1 ASN A 42 -2.493 -8.503 -1.577 1.00 0.00 O ATOM 600 ND2 ASN A 42 -0.676 -9.161 -0.432 1.00 0.00 N ATOM 0 H ASN A 42 -3.008 -6.372 -1.864 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.021 -5.793 0.153 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.621 -6.906 -2.647 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.432 -7.103 -1.260 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.116 -10.037 -0.149 1.00 0.00 H new ATOM 0 HD22 ASN A 42 0.276 -8.949 -0.133 1.00 0.00 H new ATOM 607 N ILE A 43 -0.117 -3.645 -0.653 1.00 0.00 N ATOM 608 CA ILE A 43 0.498 -2.401 -1.099 1.00 0.00 C ATOM 609 C ILE A 43 1.712 -2.673 -1.981 1.00 0.00 C ATOM 610 O ILE A 43 1.860 -2.080 -3.050 1.00 0.00 O ATOM 611 CB ILE A 43 0.930 -1.528 0.094 1.00 0.00 C ATOM 612 CG1 ILE A 43 1.604 -0.247 -0.401 1.00 0.00 C ATOM 613 CG2 ILE A 43 1.864 -2.306 1.009 1.00 0.00 C ATOM 614 CD1 ILE A 43 0.665 0.687 -1.130 1.00 0.00 C ATOM 0 H ILE A 43 -0.123 -3.774 0.359 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.255 -1.866 -1.677 1.00 0.00 H new ATOM 0 HB ILE A 43 0.043 -1.252 0.664 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.037 0.278 0.450 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.427 -0.512 -1.064 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.161 -1.676 1.847 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.351 -3.192 1.384 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.750 -2.609 0.452 1.00 0.00 H new ATOM 0 HD11 ILE A 43 1.211 1.574 -1.452 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.251 0.180 -2.001 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.145 0.982 -0.463 1.00 0.00 H new ATOM 626 N ASP A 44 2.576 -3.574 -1.528 1.00 0.00 N ATOM 627 CA ASP A 44 3.776 -3.927 -2.277 1.00 0.00 C ATOM 628 C ASP A 44 3.429 -4.294 -3.717 1.00 0.00 C ATOM 629 O ASP A 44 3.869 -3.634 -4.659 1.00 0.00 O ATOM 630 CB ASP A 44 4.501 -5.092 -1.601 1.00 0.00 C ATOM 631 CG ASP A 44 5.582 -5.689 -2.480 1.00 0.00 C ATOM 632 OD1 ASP A 44 6.586 -4.993 -2.739 1.00 0.00 O ATOM 633 OD2 ASP A 44 5.425 -6.851 -2.909 1.00 0.00 O ATOM 0 H ASP A 44 2.468 -4.074 -0.645 1.00 0.00 H new ATOM 0 HA ASP A 44 4.435 -3.059 -2.291 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.945 -4.747 -0.667 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.778 -5.866 -1.343 1.00 0.00 H new ATOM 638 N SER A 45 2.639 -5.350 -3.879 1.00 0.00 N ATOM 639 CA SER A 45 2.237 -5.807 -5.204 1.00 0.00 C ATOM 640 C SER A 45 1.976 -4.624 -6.131 1.00 0.00 C ATOM 641 O SER A 45 2.439 -4.601 -7.271 1.00 0.00 O ATOM 642 CB SER A 45 0.985 -6.680 -5.108 1.00 0.00 C ATOM 643 OG SER A 45 1.319 -8.016 -4.771 1.00 0.00 O ATOM 0 H SER A 45 2.265 -5.905 -3.110 1.00 0.00 H new ATOM 0 HA SER A 45 3.053 -6.399 -5.620 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.309 -6.270 -4.357 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.453 -6.664 -6.059 1.00 0.00 H new ATOM 0 HG SER A 45 0.501 -8.553 -4.714 1.00 0.00 H new ATOM 649 N MET A 46 1.230 -3.643 -5.633 1.00 0.00 N ATOM 650 CA MET A 46 0.907 -2.456 -6.415 1.00 0.00 C ATOM 651 C MET A 46 2.176 -1.776 -6.920 1.00 0.00 C ATOM 652 O MET A 46 2.280 -1.427 -8.096 1.00 0.00 O ATOM 653 CB MET A 46 0.086 -1.474 -5.577 1.00 0.00 C ATOM 654 CG MET A 46 -1.224 -2.055 -5.070 1.00 0.00 C ATOM 655 SD MET A 46 -2.272 -2.671 -6.402 1.00 0.00 S ATOM 656 CE MET A 46 -2.793 -1.135 -7.161 1.00 0.00 C ATOM 0 H MET A 46 0.838 -3.647 -4.691 1.00 0.00 H new ATOM 0 HA MET A 46 0.316 -2.768 -7.276 1.00 0.00 H new ATOM 0 HB2 MET A 46 0.683 -1.148 -4.725 1.00 0.00 H new ATOM 0 HB3 MET A 46 -0.126 -0.588 -6.175 1.00 0.00 H new ATOM 0 HG2 MET A 46 -1.012 -2.867 -4.375 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.764 -1.290 -4.512 1.00 0.00 H new ATOM 0 HE1 MET A 46 -3.171 -1.334 -8.164 1.00 0.00 H new ATOM 0 HE2 MET A 46 -3.581 -0.681 -6.560 1.00 0.00 H new ATOM 0 HE3 MET A 46 -1.945 -0.453 -7.222 1.00 0.00 H new ATOM 666 N VAL A 47 3.139 -1.590 -6.022 1.00 0.00 N ATOM 667 CA VAL A 47 4.401 -0.952 -6.377 1.00 0.00 C ATOM 668 C VAL A 47 5.074 -1.674 -7.538 1.00 0.00 C ATOM 669 O VAL A 47 5.693 -1.046 -8.398 1.00 0.00 O ATOM 670 CB VAL A 47 5.368 -0.917 -5.178 1.00 0.00 C ATOM 671 CG1 VAL A 47 6.672 -0.235 -5.564 1.00 0.00 C ATOM 672 CG2 VAL A 47 4.721 -0.217 -3.993 1.00 0.00 C ATOM 0 H VAL A 47 3.069 -1.872 -5.044 1.00 0.00 H new ATOM 0 HA VAL A 47 4.167 0.070 -6.676 1.00 0.00 H new ATOM 0 HB VAL A 47 5.595 -1.942 -4.886 1.00 0.00 H new ATOM 0 HG11 VAL A 47 7.343 -0.219 -4.705 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.141 -0.783 -6.381 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.468 0.787 -5.883 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.418 -0.201 -3.155 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.464 0.805 -4.270 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.817 -0.753 -3.703 1.00 0.00 H new ATOM 682 N HIS A 48 4.950 -2.997 -7.558 1.00 0.00 N ATOM 683 CA HIS A 48 5.546 -3.805 -8.615 1.00 0.00 C ATOM 684 C HIS A 48 4.627 -3.872 -9.831 1.00 0.00 C ATOM 685 O HIS A 48 4.938 -3.324 -10.889 1.00 0.00 O ATOM 686 CB HIS A 48 5.838 -5.216 -8.104 1.00 0.00 C ATOM 687 CG HIS A 48 6.905 -5.264 -7.054 1.00 0.00 C ATOM 688 ND1 HIS A 48 8.244 -5.417 -7.347 1.00 0.00 N ATOM 689 CD2 HIS A 48 6.824 -5.176 -5.706 1.00 0.00 C ATOM 690 CE1 HIS A 48 8.940 -5.423 -6.224 1.00 0.00 C ATOM 691 NE2 HIS A 48 8.102 -5.277 -5.214 1.00 0.00 N ATOM 0 H HIS A 48 4.442 -3.532 -6.854 1.00 0.00 H new ATOM 0 HA HIS A 48 6.482 -3.334 -8.914 1.00 0.00 H new ATOM 0 HB2 HIS A 48 4.921 -5.644 -7.698 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.138 -5.843 -8.944 1.00 0.00 H new ATOM 0 HD2 HIS A 48 5.922 -5.050 -5.125 1.00 0.00 H new ATOM 0 HE1 HIS A 48 10.012 -5.529 -6.145 1.00 0.00 H new ATOM 0 HE2 HIS A 48 8.362 -5.245 -4.228 1.00 0.00 H new ATOM 699 N LYS A 49 3.494 -4.549 -9.674 1.00 0.00 N ATOM 700 CA LYS A 49 2.529 -4.688 -10.758 1.00 0.00 C ATOM 701 C LYS A 49 2.512 -3.440 -11.635 1.00 0.00 C ATOM 702 O LYS A 49 2.854 -3.495 -12.817 1.00 0.00 O ATOM 703 CB LYS A 49 1.130 -4.946 -10.193 1.00 0.00 C ATOM 704 CG LYS A 49 0.217 -5.694 -11.149 1.00 0.00 C ATOM 705 CD LYS A 49 -0.422 -4.756 -12.159 1.00 0.00 C ATOM 706 CE LYS A 49 -1.620 -5.401 -12.839 1.00 0.00 C ATOM 707 NZ LYS A 49 -1.222 -6.570 -13.672 1.00 0.00 N ATOM 0 H LYS A 49 3.222 -5.010 -8.806 1.00 0.00 H new ATOM 0 HA LYS A 49 2.829 -5.538 -11.371 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.220 -5.516 -9.269 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.670 -3.992 -9.935 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.787 -6.461 -11.673 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -0.561 -6.207 -10.584 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -0.736 -3.840 -11.658 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.315 -4.472 -12.910 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -2.338 -5.721 -12.084 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.123 -4.664 -13.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -2.066 -6.982 -14.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -0.557 -6.261 -14.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -0.765 -7.285 -13.071 1.00 0.00 H new ATOM 721 N HIS A 50 2.113 -2.315 -11.049 1.00 0.00 N ATOM 722 CA HIS A 50 2.054 -1.053 -11.777 1.00 0.00 C ATOM 723 C HIS A 50 3.447 -0.452 -11.936 1.00 0.00 C ATOM 724 O HIS A 50 3.715 0.274 -12.893 1.00 0.00 O ATOM 725 CB HIS A 50 1.140 -0.064 -11.053 1.00 0.00 C ATOM 726 CG HIS A 50 -0.309 -0.441 -11.104 1.00 0.00 C ATOM 727 ND1 HIS A 50 -1.021 -0.534 -12.281 1.00 0.00 N ATOM 728 CD2 HIS A 50 -1.179 -0.750 -10.114 1.00 0.00 C ATOM 729 CE1 HIS A 50 -2.267 -0.883 -12.013 1.00 0.00 C ATOM 730 NE2 HIS A 50 -2.389 -1.021 -10.705 1.00 0.00 N ATOM 0 H HIS A 50 1.826 -2.252 -10.072 1.00 0.00 H new ATOM 0 HA HIS A 50 1.648 -1.253 -12.768 1.00 0.00 H new ATOM 0 HB2 HIS A 50 1.451 0.010 -10.011 1.00 0.00 H new ATOM 0 HB3 HIS A 50 1.266 0.925 -11.494 1.00 0.00 H new ATOM 0 HD1 HIS A 50 -0.645 -0.361 -13.213 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -0.962 -0.778 -9.056 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -3.052 -1.030 -12.740 1.00 0.00 H new ATOM 738 N GLY A 51 4.331 -0.759 -10.992 1.00 0.00 N ATOM 739 CA GLY A 51 5.686 -0.241 -11.046 1.00 0.00 C ATOM 740 C GLY A 51 5.798 1.148 -10.450 1.00 0.00 C ATOM 741 O GLY A 51 6.498 2.008 -10.987 1.00 0.00 O ATOM 0 H GLY A 51 4.133 -1.358 -10.190 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.352 -0.918 -10.511 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.022 -0.217 -12.083 1.00 0.00 H new ATOM 745 N LEU A 52 5.107 1.371 -9.337 1.00 0.00 N ATOM 746 CA LEU A 52 5.131 2.667 -8.668 1.00 0.00 C ATOM 747 C LEU A 52 6.525 2.978 -8.133 1.00 0.00 C ATOM 748 O LEU A 52 7.103 2.189 -7.386 1.00 0.00 O ATOM 749 CB LEU A 52 4.116 2.691 -7.524 1.00 0.00 C ATOM 750 CG LEU A 52 2.712 2.189 -7.861 1.00 0.00 C ATOM 751 CD1 LEU A 52 1.935 1.882 -6.591 1.00 0.00 C ATOM 752 CD2 LEU A 52 1.970 3.212 -8.709 1.00 0.00 C ATOM 0 H LEU A 52 4.523 0.671 -8.879 1.00 0.00 H new ATOM 0 HA LEU A 52 4.864 3.431 -9.399 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.508 2.089 -6.704 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.036 3.714 -7.158 1.00 0.00 H new ATOM 0 HG LEU A 52 2.805 1.268 -8.436 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.938 1.526 -6.851 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.458 1.113 -6.022 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.851 2.786 -5.988 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.972 2.838 -8.940 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.888 4.150 -8.159 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.517 3.382 -9.636 1.00 0.00 H new ATOM 764 N GLU A 53 7.058 4.133 -8.519 1.00 0.00 N ATOM 765 CA GLU A 53 8.384 4.548 -8.076 1.00 0.00 C ATOM 766 C GLU A 53 8.289 5.477 -6.870 1.00 0.00 C ATOM 767 O GLU A 53 7.205 5.709 -6.335 1.00 0.00 O ATOM 768 CB GLU A 53 9.131 5.246 -9.215 1.00 0.00 C ATOM 769 CG GLU A 53 8.308 6.311 -9.919 1.00 0.00 C ATOM 770 CD GLU A 53 9.079 7.011 -11.021 1.00 0.00 C ATOM 771 OE1 GLU A 53 9.553 6.319 -11.946 1.00 0.00 O ATOM 772 OE2 GLU A 53 9.209 8.252 -10.957 1.00 0.00 O ATOM 0 H GLU A 53 6.592 4.798 -9.137 1.00 0.00 H new ATOM 0 HA GLU A 53 8.937 3.656 -7.782 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.037 5.703 -8.818 1.00 0.00 H new ATOM 0 HB3 GLU A 53 9.444 4.499 -9.945 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.413 5.853 -10.341 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.975 7.049 -9.189 1.00 0.00 H new ATOM 779 N PHE A 54 9.432 6.007 -6.446 1.00 0.00 N ATOM 780 CA PHE A 54 9.479 6.910 -5.303 1.00 0.00 C ATOM 781 C PHE A 54 8.222 7.772 -5.238 1.00 0.00 C ATOM 782 O PHE A 54 7.453 7.698 -4.279 1.00 0.00 O ATOM 783 CB PHE A 54 10.720 7.802 -5.381 1.00 0.00 C ATOM 784 CG PHE A 54 10.565 9.108 -4.655 1.00 0.00 C ATOM 785 CD1 PHE A 54 10.141 9.137 -3.337 1.00 0.00 C ATOM 786 CD2 PHE A 54 10.845 10.307 -5.292 1.00 0.00 C ATOM 787 CE1 PHE A 54 9.998 10.337 -2.666 1.00 0.00 C ATOM 788 CE2 PHE A 54 10.705 11.509 -4.626 1.00 0.00 C ATOM 789 CZ PHE A 54 10.279 11.525 -3.312 1.00 0.00 C ATOM 0 H PHE A 54 10.338 5.826 -6.878 1.00 0.00 H new ATOM 0 HA PHE A 54 9.531 6.306 -4.397 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.572 7.263 -4.966 1.00 0.00 H new ATOM 0 HB3 PHE A 54 10.949 8.002 -6.428 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.919 8.211 -2.827 1.00 0.00 H new ATOM 0 HD2 PHE A 54 11.176 10.301 -6.320 1.00 0.00 H new ATOM 0 HE1 PHE A 54 9.667 10.346 -1.638 1.00 0.00 H new ATOM 0 HE2 PHE A 54 10.929 12.436 -5.133 1.00 0.00 H new ATOM 0 HZ PHE A 54 10.166 12.464 -2.791 1.00 0.00 H new ATOM 799 N TYR A 55 8.019 8.589 -6.266 1.00 0.00 N ATOM 800 CA TYR A 55 6.858 9.468 -6.326 1.00 0.00 C ATOM 801 C TYR A 55 5.583 8.670 -6.582 1.00 0.00 C ATOM 802 O TYR A 55 4.595 8.809 -5.863 1.00 0.00 O ATOM 803 CB TYR A 55 7.043 10.519 -7.422 1.00 0.00 C ATOM 804 CG TYR A 55 7.786 11.752 -6.959 1.00 0.00 C ATOM 805 CD1 TYR A 55 7.325 12.502 -5.884 1.00 0.00 C ATOM 806 CD2 TYR A 55 8.949 12.166 -7.596 1.00 0.00 C ATOM 807 CE1 TYR A 55 8.000 13.630 -5.458 1.00 0.00 C ATOM 808 CE2 TYR A 55 9.632 13.291 -7.176 1.00 0.00 C ATOM 809 CZ TYR A 55 9.153 14.020 -6.107 1.00 0.00 C ATOM 810 OH TYR A 55 9.830 15.142 -5.686 1.00 0.00 O ATOM 0 H TYR A 55 8.644 8.660 -7.069 1.00 0.00 H new ATOM 0 HA TYR A 55 6.764 9.970 -5.363 1.00 0.00 H new ATOM 0 HB2 TYR A 55 7.583 10.071 -8.256 1.00 0.00 H new ATOM 0 HB3 TYR A 55 6.064 10.815 -7.799 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.424 12.198 -5.373 1.00 0.00 H new ATOM 0 HD2 TYR A 55 9.326 11.599 -8.434 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.627 14.203 -4.622 1.00 0.00 H new ATOM 0 HE2 TYR A 55 10.536 13.598 -7.682 1.00 0.00 H new ATOM 0 HH TYR A 55 10.621 15.277 -6.248 1.00 0.00 H new ATOM 820 N GLY A 56 5.615 7.831 -7.613 1.00 0.00 N ATOM 821 CA GLY A 56 4.457 7.022 -7.946 1.00 0.00 C ATOM 822 C GLY A 56 3.735 6.508 -6.717 1.00 0.00 C ATOM 823 O GLY A 56 2.553 6.790 -6.520 1.00 0.00 O ATOM 0 H GLY A 56 6.421 7.697 -8.223 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.767 7.612 -8.549 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.772 6.177 -8.558 1.00 0.00 H new ATOM 827 N TYR A 57 4.446 5.752 -5.888 1.00 0.00 N ATOM 828 CA TYR A 57 3.863 5.194 -4.673 1.00 0.00 C ATOM 829 C TYR A 57 3.127 6.269 -3.879 1.00 0.00 C ATOM 830 O TYR A 57 2.007 6.055 -3.415 1.00 0.00 O ATOM 831 CB TYR A 57 4.952 4.559 -3.806 1.00 0.00 C ATOM 832 CG TYR A 57 4.564 4.422 -2.351 1.00 0.00 C ATOM 833 CD1 TYR A 57 3.851 3.316 -1.904 1.00 0.00 C ATOM 834 CD2 TYR A 57 4.909 5.398 -1.424 1.00 0.00 C ATOM 835 CE1 TYR A 57 3.493 3.187 -0.575 1.00 0.00 C ATOM 836 CE2 TYR A 57 4.557 5.276 -0.094 1.00 0.00 C ATOM 837 CZ TYR A 57 3.849 4.169 0.325 1.00 0.00 C ATOM 838 OH TYR A 57 3.495 4.044 1.649 1.00 0.00 O ATOM 0 H TYR A 57 5.426 5.511 -6.035 1.00 0.00 H new ATOM 0 HA TYR A 57 3.145 4.427 -4.963 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.192 3.573 -4.204 1.00 0.00 H new ATOM 0 HB3 TYR A 57 5.858 5.161 -3.877 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.572 2.545 -2.606 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.462 6.267 -1.749 1.00 0.00 H new ATOM 0 HE1 TYR A 57 2.938 2.322 -0.244 1.00 0.00 H new ATOM 0 HE2 TYR A 57 4.835 6.043 0.614 1.00 0.00 H new ATOM 0 HH TYR A 57 3.903 4.769 2.167 1.00 0.00 H new ATOM 848 N ILE A 58 3.765 7.424 -3.728 1.00 0.00 N ATOM 849 CA ILE A 58 3.171 8.534 -2.992 1.00 0.00 C ATOM 850 C ILE A 58 1.787 8.875 -3.534 1.00 0.00 C ATOM 851 O ILE A 58 0.859 9.146 -2.773 1.00 0.00 O ATOM 852 CB ILE A 58 4.059 9.790 -3.055 1.00 0.00 C ATOM 853 CG1 ILE A 58 5.437 9.498 -2.459 1.00 0.00 C ATOM 854 CG2 ILE A 58 3.393 10.946 -2.322 1.00 0.00 C ATOM 855 CD1 ILE A 58 6.492 10.507 -2.853 1.00 0.00 C ATOM 0 H ILE A 58 4.693 7.616 -4.105 1.00 0.00 H new ATOM 0 HA ILE A 58 3.083 8.213 -1.954 1.00 0.00 H new ATOM 0 HB ILE A 58 4.189 10.073 -4.100 1.00 0.00 H new ATOM 0 HG12 ILE A 58 5.356 9.475 -1.372 1.00 0.00 H new ATOM 0 HG13 ILE A 58 5.758 8.506 -2.776 1.00 0.00 H new ATOM 0 HG21 ILE A 58 4.032 11.827 -2.375 1.00 0.00 H new ATOM 0 HG22 ILE A 58 2.432 11.166 -2.787 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.237 10.673 -1.278 1.00 0.00 H new ATOM 0 HD11 ILE A 58 7.443 10.237 -2.394 1.00 0.00 H new ATOM 0 HD12 ILE A 58 6.601 10.514 -3.937 1.00 0.00 H new ATOM 0 HD13 ILE A 58 6.193 11.498 -2.512 1.00 0.00 H new ATOM 867 N LYS A 59 1.655 8.857 -4.856 1.00 0.00 N ATOM 868 CA LYS A 59 0.384 9.161 -5.503 1.00 0.00 C ATOM 869 C LYS A 59 -0.637 8.059 -5.241 1.00 0.00 C ATOM 870 O LYS A 59 -1.833 8.325 -5.112 1.00 0.00 O ATOM 871 CB LYS A 59 0.584 9.338 -7.010 1.00 0.00 C ATOM 872 CG LYS A 59 1.566 10.440 -7.368 1.00 0.00 C ATOM 873 CD LYS A 59 1.618 10.674 -8.869 1.00 0.00 C ATOM 874 CE LYS A 59 2.860 11.456 -9.268 1.00 0.00 C ATOM 875 NZ LYS A 59 2.845 11.821 -10.712 1.00 0.00 N ATOM 0 H LYS A 59 2.413 8.635 -5.501 1.00 0.00 H new ATOM 0 HA LYS A 59 0.004 10.092 -5.082 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.936 8.398 -7.434 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.379 9.556 -7.473 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.278 11.363 -6.865 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.559 10.176 -7.005 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.608 9.716 -9.388 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.727 11.217 -9.185 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.928 12.362 -8.665 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.748 10.862 -9.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.708 12.353 -10.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.805 10.956 -11.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.011 12.409 -10.913 1.00 0.00 H new ATOM 889 N LEU A 60 -0.159 6.823 -5.160 1.00 0.00 N ATOM 890 CA LEU A 60 -1.031 5.680 -4.911 1.00 0.00 C ATOM 891 C LEU A 60 -1.761 5.832 -3.581 1.00 0.00 C ATOM 892 O LEU A 60 -2.978 5.659 -3.506 1.00 0.00 O ATOM 893 CB LEU A 60 -0.219 4.383 -4.916 1.00 0.00 C ATOM 894 CG LEU A 60 -1.019 3.089 -4.767 1.00 0.00 C ATOM 895 CD1 LEU A 60 -1.452 2.892 -3.322 1.00 0.00 C ATOM 896 CD2 LEU A 60 -2.229 3.101 -5.691 1.00 0.00 C ATOM 0 H LEU A 60 0.828 6.586 -5.263 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.773 5.639 -5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.343 4.334 -5.849 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.510 4.431 -4.107 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.378 2.254 -5.050 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.020 1.966 -3.235 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.571 2.838 -2.682 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.075 3.730 -3.011 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.787 2.172 -5.572 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.871 3.945 -5.439 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.896 3.194 -6.725 1.00 0.00 H new ATOM 908 N ILE A 61 -1.010 6.157 -2.534 1.00 0.00 N ATOM 909 CA ILE A 61 -1.587 6.335 -1.207 1.00 0.00 C ATOM 910 C ILE A 61 -2.590 7.484 -1.193 1.00 0.00 C ATOM 911 O ILE A 61 -3.786 7.275 -0.994 1.00 0.00 O ATOM 912 CB ILE A 61 -0.498 6.606 -0.152 1.00 0.00 C ATOM 913 CG1 ILE A 61 0.510 5.456 -0.121 1.00 0.00 C ATOM 914 CG2 ILE A 61 -1.127 6.803 1.219 1.00 0.00 C ATOM 915 CD1 ILE A 61 -0.059 4.168 0.432 1.00 0.00 C ATOM 0 H ILE A 61 -0.001 6.302 -2.579 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.100 5.406 -0.958 1.00 0.00 H new ATOM 0 HB ILE A 61 0.030 7.520 -0.423 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.876 5.277 -1.132 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.369 5.752 0.481 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.345 6.994 1.954 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.810 7.652 1.187 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.677 5.905 1.499 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.711 3.397 0.424 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.399 4.330 1.455 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.899 3.848 -0.184 1.00 0.00 H new ATOM 927 N ASN A 62 -2.093 8.698 -1.409 1.00 0.00 N ATOM 928 CA ASN A 62 -2.946 9.881 -1.423 1.00 0.00 C ATOM 929 C ASN A 62 -4.157 9.668 -2.326 1.00 0.00 C ATOM 930 O ASN A 62 -5.268 10.091 -2.004 1.00 0.00 O ATOM 931 CB ASN A 62 -2.153 11.102 -1.893 1.00 0.00 C ATOM 932 CG ASN A 62 -1.277 11.679 -0.798 1.00 0.00 C ATOM 933 OD1 ASN A 62 -1.620 11.620 0.383 1.00 0.00 O ATOM 934 ND2 ASN A 62 -0.138 12.241 -1.186 1.00 0.00 N ATOM 0 H ASN A 62 -1.105 8.888 -1.577 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.299 10.055 -0.407 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.531 10.822 -2.743 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.845 11.868 -2.243 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.493 12.646 -0.494 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.106 12.268 -2.176 1.00 0.00 H new ATOM 941 N PHE A 63 -3.935 9.009 -3.459 1.00 0.00 N ATOM 942 CA PHE A 63 -5.007 8.740 -4.410 1.00 0.00 C ATOM 943 C PHE A 63 -6.229 8.162 -3.702 1.00 0.00 C ATOM 944 O PHE A 63 -7.359 8.587 -3.945 1.00 0.00 O ATOM 945 CB PHE A 63 -4.525 7.773 -5.493 1.00 0.00 C ATOM 946 CG PHE A 63 -5.644 7.100 -6.236 1.00 0.00 C ATOM 947 CD1 PHE A 63 -6.402 7.802 -7.159 1.00 0.00 C ATOM 948 CD2 PHE A 63 -5.938 5.764 -6.010 1.00 0.00 C ATOM 949 CE1 PHE A 63 -7.432 7.185 -7.844 1.00 0.00 C ATOM 950 CE2 PHE A 63 -6.966 5.142 -6.692 1.00 0.00 C ATOM 951 CZ PHE A 63 -7.715 5.854 -7.609 1.00 0.00 C ATOM 0 H PHE A 63 -3.022 8.652 -3.741 1.00 0.00 H new ATOM 0 HA PHE A 63 -5.292 9.683 -4.876 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.903 8.317 -6.204 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.894 7.012 -5.035 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.186 8.844 -7.346 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.357 5.203 -5.293 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.015 7.743 -8.562 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.184 4.100 -6.508 1.00 0.00 H new ATOM 0 HZ PHE A 63 -8.521 5.370 -8.141 1.00 0.00 H new ATOM 961 N ILE A 64 -5.993 7.189 -2.828 1.00 0.00 N ATOM 962 CA ILE A 64 -7.074 6.553 -2.085 1.00 0.00 C ATOM 963 C ILE A 64 -7.627 7.485 -1.012 1.00 0.00 C ATOM 964 O ILE A 64 -8.808 7.423 -0.671 1.00 0.00 O ATOM 965 CB ILE A 64 -6.606 5.245 -1.420 1.00 0.00 C ATOM 966 CG1 ILE A 64 -5.839 4.382 -2.425 1.00 0.00 C ATOM 967 CG2 ILE A 64 -7.795 4.481 -0.858 1.00 0.00 C ATOM 968 CD1 ILE A 64 -5.389 3.053 -1.861 1.00 0.00 C ATOM 0 H ILE A 64 -5.064 6.824 -2.617 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.860 6.325 -2.805 1.00 0.00 H new ATOM 0 HB ILE A 64 -5.936 5.493 -0.597 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -6.471 4.203 -3.295 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -4.966 4.934 -2.774 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -7.448 3.559 -0.391 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -8.303 5.095 -0.114 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.487 4.241 -1.665 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -4.852 2.495 -2.628 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.731 3.223 -1.009 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.259 2.481 -1.538 1.00 0.00 H new ATOM 980 N ARG A 65 -6.766 8.349 -0.486 1.00 0.00 N ATOM 981 CA ARG A 65 -7.169 9.296 0.548 1.00 0.00 C ATOM 982 C ARG A 65 -8.176 10.302 0.001 1.00 0.00 C ATOM 983 O ARG A 65 -9.073 10.751 0.716 1.00 0.00 O ATOM 984 CB ARG A 65 -5.946 10.030 1.101 1.00 0.00 C ATOM 985 CG ARG A 65 -4.875 9.103 1.650 1.00 0.00 C ATOM 986 CD ARG A 65 -5.317 8.447 2.948 1.00 0.00 C ATOM 987 NE ARG A 65 -4.190 8.173 3.835 1.00 0.00 N ATOM 988 CZ ARG A 65 -4.320 7.652 5.050 1.00 0.00 C ATOM 989 NH1 ARG A 65 -5.523 7.350 5.520 1.00 0.00 N ATOM 990 NH2 ARG A 65 -3.246 7.432 5.798 1.00 0.00 N ATOM 0 H ARG A 65 -5.785 8.414 -0.758 1.00 0.00 H new ATOM 0 HA ARG A 65 -7.643 8.736 1.354 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -5.513 10.643 0.311 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -6.267 10.709 1.891 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.645 8.334 0.912 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.957 9.666 1.820 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -6.030 9.096 3.457 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -5.837 7.515 2.724 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.251 8.394 3.503 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.351 7.518 4.948 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -5.620 6.950 6.453 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.319 7.663 5.440 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -3.347 7.032 6.731 1.00 0.00 H new ATOM 1004 N LEU A 66 -8.022 10.654 -1.271 1.00 0.00 N ATOM 1005 CA LEU A 66 -8.918 11.608 -1.915 1.00 0.00 C ATOM 1006 C LEU A 66 -10.094 10.893 -2.573 1.00 0.00 C ATOM 1007 O LEU A 66 -11.254 11.175 -2.271 1.00 0.00 O ATOM 1008 CB LEU A 66 -8.157 12.428 -2.959 1.00 0.00 C ATOM 1009 CG LEU A 66 -8.825 13.727 -3.409 1.00 0.00 C ATOM 1010 CD1 LEU A 66 -7.777 14.768 -3.773 1.00 0.00 C ATOM 1011 CD2 LEU A 66 -9.755 13.470 -4.586 1.00 0.00 C ATOM 0 H LEU A 66 -7.285 10.293 -1.877 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.307 12.278 -1.148 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.174 12.669 -2.556 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.997 11.802 -3.837 1.00 0.00 H new ATOM 0 HG LEU A 66 -9.419 14.113 -2.580 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -8.271 15.686 -4.091 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.152 14.974 -2.904 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.156 14.390 -4.585 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.221 14.406 -4.892 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.183 13.060 -5.419 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -10.527 12.759 -4.291 1.00 0.00 H new ATOM 1023 N LYS A 67 -9.787 9.964 -3.472 1.00 0.00 N ATOM 1024 CA LYS A 67 -10.818 9.205 -4.170 1.00 0.00 C ATOM 1025 C LYS A 67 -11.540 8.260 -3.214 1.00 0.00 C ATOM 1026 O LYS A 67 -12.769 8.240 -3.157 1.00 0.00 O ATOM 1027 CB LYS A 67 -10.201 8.408 -5.322 1.00 0.00 C ATOM 1028 CG LYS A 67 -9.726 9.274 -6.475 1.00 0.00 C ATOM 1029 CD LYS A 67 -10.891 9.778 -7.311 1.00 0.00 C ATOM 1030 CE LYS A 67 -10.427 10.275 -8.672 1.00 0.00 C ATOM 1031 NZ LYS A 67 -11.552 10.835 -9.470 1.00 0.00 N ATOM 0 H LYS A 67 -8.832 9.719 -3.734 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.544 9.911 -4.572 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.359 7.829 -4.942 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.936 7.694 -5.694 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.162 10.122 -6.086 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.046 8.701 -7.105 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.618 8.977 -7.444 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.398 10.585 -6.781 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -9.661 11.039 -8.538 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -9.966 9.454 -9.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -11.195 11.163 -10.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -12.271 10.099 -9.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -11.976 11.635 -8.958 1.00 0.00 H new ATOM 1045 N ASN A 68 -10.768 7.481 -2.464 1.00 0.00 N ATOM 1046 CA ASN A 68 -11.335 6.535 -1.510 1.00 0.00 C ATOM 1047 C ASN A 68 -12.142 5.457 -2.226 1.00 0.00 C ATOM 1048 O ASN A 68 -13.285 5.165 -1.875 1.00 0.00 O ATOM 1049 CB ASN A 68 -12.223 7.267 -0.501 1.00 0.00 C ATOM 1050 CG ASN A 68 -11.459 8.306 0.295 1.00 0.00 C ATOM 1051 OD1 ASN A 68 -11.055 8.060 1.432 1.00 0.00 O ATOM 1052 ND2 ASN A 68 -11.257 9.476 -0.300 1.00 0.00 N ATOM 0 H ASN A 68 -9.749 7.486 -2.498 1.00 0.00 H new ATOM 0 HA ASN A 68 -10.512 6.055 -0.980 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -13.045 7.750 -1.029 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -12.665 6.542 0.183 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -10.749 10.215 0.187 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -11.610 9.636 -1.244 1.00 0.00 H new ATOM 1059 N PRO A 69 -11.534 4.849 -3.256 1.00 0.00 N ATOM 1060 CA PRO A 69 -12.176 3.792 -4.043 1.00 0.00 C ATOM 1061 C PRO A 69 -12.342 2.500 -3.252 1.00 0.00 C ATOM 1062 O PRO A 69 -12.128 2.469 -2.039 1.00 0.00 O ATOM 1063 CB PRO A 69 -11.210 3.583 -5.212 1.00 0.00 C ATOM 1064 CG PRO A 69 -9.886 4.026 -4.692 1.00 0.00 C ATOM 1065 CD PRO A 69 -10.172 5.147 -3.731 1.00 0.00 C ATOM 0 HA PRO A 69 -13.185 4.069 -4.350 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -11.184 2.538 -5.523 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -11.509 4.167 -6.082 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -9.369 3.207 -4.193 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -9.241 4.363 -5.504 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -9.455 5.166 -2.910 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.121 6.119 -4.221 1.00 0.00 H new ATOM 1073 N THR A 70 -12.726 1.432 -3.945 1.00 0.00 N ATOM 1074 CA THR A 70 -12.922 0.136 -3.307 1.00 0.00 C ATOM 1075 C THR A 70 -11.855 -0.860 -3.747 1.00 0.00 C ATOM 1076 O THR A 70 -11.399 -0.832 -4.890 1.00 0.00 O ATOM 1077 CB THR A 70 -14.313 -0.443 -3.627 1.00 0.00 C ATOM 1078 OG1 THR A 70 -14.486 -1.698 -2.960 1.00 0.00 O ATOM 1079 CG2 THR A 70 -14.489 -0.631 -5.126 1.00 0.00 C ATOM 0 H THR A 70 -12.907 1.439 -4.949 1.00 0.00 H new ATOM 0 HA THR A 70 -12.843 0.297 -2.232 1.00 0.00 H new ATOM 0 HB THR A 70 -15.066 0.262 -3.275 1.00 0.00 H new ATOM 0 HG1 THR A 70 -15.373 -2.059 -3.167 1.00 0.00 H new ATOM 0 HG21 THR A 70 -15.479 -1.041 -5.328 1.00 0.00 H new ATOM 0 HG22 THR A 70 -14.386 0.331 -5.628 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.729 -1.318 -5.498 1.00 0.00 H new ATOM 1087 N VAL A 71 -11.462 -1.741 -2.833 1.00 0.00 N ATOM 1088 CA VAL A 71 -10.450 -2.748 -3.128 1.00 0.00 C ATOM 1089 C VAL A 71 -10.604 -3.283 -4.547 1.00 0.00 C ATOM 1090 O VAL A 71 -9.711 -3.126 -5.380 1.00 0.00 O ATOM 1091 CB VAL A 71 -10.524 -3.925 -2.137 1.00 0.00 C ATOM 1092 CG1 VAL A 71 -9.612 -5.058 -2.584 1.00 0.00 C ATOM 1093 CG2 VAL A 71 -10.164 -3.463 -0.733 1.00 0.00 C ATOM 0 H VAL A 71 -11.829 -1.778 -1.882 1.00 0.00 H new ATOM 0 HA VAL A 71 -9.480 -2.260 -3.030 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.548 -4.299 -2.121 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -9.678 -5.880 -1.872 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -9.921 -5.406 -3.570 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -8.584 -4.700 -2.631 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.222 -4.307 -0.046 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -9.151 -3.062 -0.731 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.862 -2.688 -0.415 1.00 0.00 H new ATOM 1103 N GLU A 72 -11.742 -3.915 -4.815 1.00 0.00 N ATOM 1104 CA GLU A 72 -12.012 -4.474 -6.135 1.00 0.00 C ATOM 1105 C GLU A 72 -11.439 -3.580 -7.231 1.00 0.00 C ATOM 1106 O GLU A 72 -10.861 -4.066 -8.204 1.00 0.00 O ATOM 1107 CB GLU A 72 -13.518 -4.649 -6.340 1.00 0.00 C ATOM 1108 CG GLU A 72 -14.314 -3.371 -6.136 1.00 0.00 C ATOM 1109 CD GLU A 72 -15.801 -3.568 -6.355 1.00 0.00 C ATOM 1110 OE1 GLU A 72 -16.501 -3.932 -5.387 1.00 0.00 O ATOM 1111 OE2 GLU A 72 -16.265 -3.357 -7.495 1.00 0.00 O ATOM 0 H GLU A 72 -12.491 -4.053 -4.137 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.529 -5.449 -6.195 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -13.698 -5.022 -7.348 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -13.884 -5.409 -5.650 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.146 -3.000 -5.125 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -13.948 -2.606 -6.821 1.00 0.00 H new ATOM 1118 N TYR A 73 -11.604 -2.272 -7.067 1.00 0.00 N ATOM 1119 CA TYR A 73 -11.107 -1.311 -8.043 1.00 0.00 C ATOM 1120 C TYR A 73 -9.582 -1.256 -8.026 1.00 0.00 C ATOM 1121 O TYR A 73 -8.932 -1.436 -9.055 1.00 0.00 O ATOM 1122 CB TYR A 73 -11.681 0.079 -7.760 1.00 0.00 C ATOM 1123 CG TYR A 73 -11.249 1.128 -8.760 1.00 0.00 C ATOM 1124 CD1 TYR A 73 -10.094 1.873 -8.558 1.00 0.00 C ATOM 1125 CD2 TYR A 73 -11.996 1.374 -9.905 1.00 0.00 C ATOM 1126 CE1 TYR A 73 -9.695 2.833 -9.468 1.00 0.00 C ATOM 1127 CE2 TYR A 73 -11.604 2.331 -10.821 1.00 0.00 C ATOM 1128 CZ TYR A 73 -10.454 3.058 -10.598 1.00 0.00 C ATOM 1129 OH TYR A 73 -10.061 4.013 -11.508 1.00 0.00 O ATOM 0 H TYR A 73 -12.078 -1.853 -6.267 1.00 0.00 H new ATOM 0 HA TYR A 73 -11.430 -1.636 -9.032 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -12.769 0.019 -7.756 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -11.375 0.393 -6.762 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -9.498 1.699 -7.675 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -12.898 0.808 -10.082 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.794 3.404 -9.296 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -12.195 2.509 -11.707 1.00 0.00 H new ATOM 0 HH TYR A 73 -10.704 4.045 -12.247 1.00 0.00 H new ATOM 1139 N MET A 74 -9.019 -1.006 -6.849 1.00 0.00 N ATOM 1140 CA MET A 74 -7.571 -0.929 -6.696 1.00 0.00 C ATOM 1141 C MET A 74 -6.887 -2.095 -7.403 1.00 0.00 C ATOM 1142 O MET A 74 -5.739 -1.985 -7.832 1.00 0.00 O ATOM 1143 CB MET A 74 -7.192 -0.924 -5.213 1.00 0.00 C ATOM 1144 CG MET A 74 -7.536 0.375 -4.503 1.00 0.00 C ATOM 1145 SD MET A 74 -6.830 1.820 -5.317 1.00 0.00 S ATOM 1146 CE MET A 74 -5.104 1.351 -5.403 1.00 0.00 C ATOM 0 H MET A 74 -9.543 -0.853 -5.987 1.00 0.00 H new ATOM 0 HA MET A 74 -7.232 0.000 -7.153 1.00 0.00 H new ATOM 0 HB2 MET A 74 -7.702 -1.748 -4.713 1.00 0.00 H new ATOM 0 HB3 MET A 74 -6.122 -1.108 -5.119 1.00 0.00 H new ATOM 0 HG2 MET A 74 -8.620 0.483 -4.456 1.00 0.00 H new ATOM 0 HG3 MET A 74 -7.175 0.329 -3.475 1.00 0.00 H new ATOM 0 HE1 MET A 74 -4.506 2.059 -4.829 1.00 0.00 H new ATOM 0 HE2 MET A 74 -4.978 0.350 -4.990 1.00 0.00 H new ATOM 0 HE3 MET A 74 -4.776 1.358 -6.443 1.00 0.00 H new ATOM 1156 N ASN A 75 -7.599 -3.210 -7.520 1.00 0.00 N ATOM 1157 CA ASN A 75 -7.060 -4.397 -8.175 1.00 0.00 C ATOM 1158 C ASN A 75 -7.193 -4.290 -9.691 1.00 0.00 C ATOM 1159 O ASN A 75 -6.326 -4.748 -10.434 1.00 0.00 O ATOM 1160 CB ASN A 75 -7.779 -5.652 -7.675 1.00 0.00 C ATOM 1161 CG ASN A 75 -7.167 -6.200 -6.401 1.00 0.00 C ATOM 1162 OD1 ASN A 75 -5.946 -6.218 -6.243 1.00 0.00 O ATOM 1163 ND2 ASN A 75 -8.015 -6.651 -5.484 1.00 0.00 N ATOM 0 H ASN A 75 -8.551 -3.317 -7.170 1.00 0.00 H new ATOM 0 HA ASN A 75 -6.001 -4.470 -7.926 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -8.829 -5.420 -7.500 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -7.747 -6.419 -8.449 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -7.662 -7.032 -4.606 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.020 -6.617 -5.657 1.00 0.00 H new ATOM 1170 N SER A 76 -8.286 -3.681 -10.142 1.00 0.00 N ATOM 1171 CA SER A 76 -8.535 -3.517 -11.569 1.00 0.00 C ATOM 1172 C SER A 76 -8.261 -2.081 -12.006 1.00 0.00 C ATOM 1173 O SER A 76 -9.184 -1.282 -12.166 1.00 0.00 O ATOM 1174 CB SER A 76 -9.979 -3.896 -11.903 1.00 0.00 C ATOM 1175 OG SER A 76 -10.152 -5.303 -11.891 1.00 0.00 O ATOM 0 H SER A 76 -9.012 -3.294 -9.540 1.00 0.00 H new ATOM 0 HA SER A 76 -7.858 -4.179 -12.109 1.00 0.00 H new ATOM 0 HB2 SER A 76 -10.655 -3.437 -11.182 1.00 0.00 H new ATOM 0 HB3 SER A 76 -10.244 -3.502 -12.884 1.00 0.00 H new ATOM 0 HG SER A 76 -11.083 -5.520 -12.106 1.00 0.00 H new ATOM 1181 N ILE A 77 -6.985 -1.761 -12.197 1.00 0.00 N ATOM 1182 CA ILE A 77 -6.589 -0.422 -12.616 1.00 0.00 C ATOM 1183 C ILE A 77 -5.922 -0.451 -13.987 1.00 0.00 C ATOM 1184 O ILE A 77 -5.293 -1.441 -14.363 1.00 0.00 O ATOM 1185 CB ILE A 77 -5.626 0.223 -11.603 1.00 0.00 C ATOM 1186 CG1 ILE A 77 -6.294 0.334 -10.231 1.00 0.00 C ATOM 1187 CG2 ILE A 77 -5.180 1.592 -12.093 1.00 0.00 C ATOM 1188 CD1 ILE A 77 -7.507 1.238 -10.221 1.00 0.00 C ATOM 0 H ILE A 77 -6.209 -2.410 -12.068 1.00 0.00 H new ATOM 0 HA ILE A 77 -7.500 0.175 -12.669 1.00 0.00 H new ATOM 0 HB ILE A 77 -4.745 -0.411 -11.507 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -6.590 -0.661 -9.898 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -5.566 0.708 -9.511 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.500 2.035 -11.366 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -4.670 1.487 -13.050 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -6.051 2.236 -12.215 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -7.929 1.269 -9.217 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -7.214 2.244 -10.523 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -8.253 0.853 -10.916 1.00 0.00 H new ATOM 1200 N TYR A 78 -6.062 0.641 -14.730 1.00 0.00 N ATOM 1201 CA TYR A 78 -5.473 0.742 -16.060 1.00 0.00 C ATOM 1202 C TYR A 78 -4.661 2.025 -16.201 1.00 0.00 C ATOM 1203 O TYR A 78 -4.692 2.891 -15.328 1.00 0.00 O ATOM 1204 CB TYR A 78 -6.567 0.697 -17.129 1.00 0.00 C ATOM 1205 CG TYR A 78 -7.139 -0.684 -17.353 1.00 0.00 C ATOM 1206 CD1 TYR A 78 -7.882 -1.318 -16.364 1.00 0.00 C ATOM 1207 CD2 TYR A 78 -6.937 -1.356 -18.552 1.00 0.00 C ATOM 1208 CE1 TYR A 78 -8.406 -2.580 -16.563 1.00 0.00 C ATOM 1209 CE2 TYR A 78 -7.459 -2.618 -18.760 1.00 0.00 C ATOM 1210 CZ TYR A 78 -8.193 -3.226 -17.763 1.00 0.00 C ATOM 1211 OH TYR A 78 -8.713 -4.484 -17.966 1.00 0.00 O ATOM 0 H TYR A 78 -6.578 1.469 -14.434 1.00 0.00 H new ATOM 0 HA TYR A 78 -4.803 -0.107 -16.198 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -7.373 1.372 -16.841 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -6.160 1.069 -18.069 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -8.052 -0.815 -15.424 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -6.362 -0.884 -19.335 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -8.980 -3.059 -15.783 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -7.293 -3.126 -19.699 1.00 0.00 H new ATOM 0 HH TYR A 78 -8.473 -4.797 -18.863 1.00 0.00 H new ATOM 1221 N ASN A 79 -3.934 2.139 -17.308 1.00 0.00 N ATOM 1222 CA ASN A 79 -3.112 3.316 -17.565 1.00 0.00 C ATOM 1223 C ASN A 79 -3.784 4.238 -18.578 1.00 0.00 C ATOM 1224 O ASN A 79 -4.474 3.794 -19.497 1.00 0.00 O ATOM 1225 CB ASN A 79 -1.732 2.899 -18.075 1.00 0.00 C ATOM 1226 CG ASN A 79 -1.814 1.909 -19.221 1.00 0.00 C ATOM 1227 OD1 ASN A 79 -2.795 1.883 -19.965 1.00 0.00 O ATOM 1228 ND2 ASN A 79 -0.781 1.088 -19.369 1.00 0.00 N ATOM 0 H ASN A 79 -3.897 1.431 -18.041 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.996 3.859 -16.627 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.186 3.784 -18.401 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -1.163 2.457 -17.257 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.780 0.401 -20.123 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.011 1.145 -18.729 1.00 0.00 H new ATOM 1235 N PRO A 80 -3.579 5.553 -18.410 1.00 0.00 N ATOM 1236 CA PRO A 80 -2.760 6.093 -17.320 1.00 0.00 C ATOM 1237 C PRO A 80 -3.423 5.922 -15.958 1.00 0.00 C ATOM 1238 O PRO A 80 -4.584 6.286 -15.771 1.00 0.00 O ATOM 1239 CB PRO A 80 -2.635 7.577 -17.673 1.00 0.00 C ATOM 1240 CG PRO A 80 -3.838 7.872 -18.501 1.00 0.00 C ATOM 1241 CD PRO A 80 -4.130 6.613 -19.270 1.00 0.00 C ATOM 0 HA PRO A 80 -1.802 5.579 -17.235 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.610 8.196 -16.776 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -1.716 7.777 -18.224 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -4.685 8.151 -17.874 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -3.652 8.707 -19.176 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -5.199 6.482 -19.435 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.655 6.622 -20.251 1.00 0.00 H new ATOM 1249 N VAL A 81 -2.677 5.367 -15.008 1.00 0.00 N ATOM 1250 CA VAL A 81 -3.192 5.150 -13.661 1.00 0.00 C ATOM 1251 C VAL A 81 -3.983 6.358 -13.174 1.00 0.00 C ATOM 1252 O VAL A 81 -3.692 7.503 -13.521 1.00 0.00 O ATOM 1253 CB VAL A 81 -2.054 4.859 -12.665 1.00 0.00 C ATOM 1254 CG1 VAL A 81 -1.136 3.772 -13.205 1.00 0.00 C ATOM 1255 CG2 VAL A 81 -1.272 6.129 -12.365 1.00 0.00 C ATOM 0 H VAL A 81 -1.714 5.060 -15.146 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.852 4.284 -13.710 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.492 4.501 -11.733 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.338 3.580 -12.488 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.708 2.858 -13.364 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.703 4.098 -14.151 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.472 5.905 -11.660 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.843 6.519 -13.288 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.940 6.874 -11.932 1.00 0.00 H new ATOM 1265 N PRO A 82 -5.008 6.101 -12.348 1.00 0.00 N ATOM 1266 CA PRO A 82 -5.862 7.155 -11.793 1.00 0.00 C ATOM 1267 C PRO A 82 -5.128 8.019 -10.772 1.00 0.00 C ATOM 1268 O PRO A 82 -5.706 8.939 -10.195 1.00 0.00 O ATOM 1269 CB PRO A 82 -6.995 6.377 -11.120 1.00 0.00 C ATOM 1270 CG PRO A 82 -6.402 5.049 -10.797 1.00 0.00 C ATOM 1271 CD PRO A 82 -5.412 4.760 -11.891 1.00 0.00 C ATOM 0 HA PRO A 82 -6.202 7.850 -12.561 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -7.344 6.884 -10.220 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -7.854 6.276 -11.783 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -5.913 5.067 -9.823 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -7.172 4.278 -10.754 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -4.561 4.188 -11.522 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -5.861 4.179 -12.697 1.00 0.00 H new ATOM 1279 N TRP A 83 -3.854 7.715 -10.556 1.00 0.00 N ATOM 1280 CA TRP A 83 -3.041 8.465 -9.604 1.00 0.00 C ATOM 1281 C TRP A 83 -1.854 9.120 -10.300 1.00 0.00 C ATOM 1282 O TRP A 83 -0.831 9.396 -9.673 1.00 0.00 O ATOM 1283 CB TRP A 83 -2.549 7.544 -8.486 1.00 0.00 C ATOM 1284 CG TRP A 83 -1.681 6.425 -8.978 1.00 0.00 C ATOM 1285 CD1 TRP A 83 -0.350 6.490 -9.277 1.00 0.00 C ATOM 1286 CD2 TRP A 83 -2.085 5.075 -9.229 1.00 0.00 C ATOM 1287 NE1 TRP A 83 0.098 5.261 -9.699 1.00 0.00 N ATOM 1288 CE2 TRP A 83 -0.947 4.376 -9.678 1.00 0.00 C ATOM 1289 CE3 TRP A 83 -3.297 4.387 -9.118 1.00 0.00 C ATOM 1290 CZ2 TRP A 83 -0.988 3.026 -10.015 1.00 0.00 C ATOM 1291 CZ3 TRP A 83 -3.336 3.047 -9.452 1.00 0.00 C ATOM 1292 CH2 TRP A 83 -2.187 2.377 -9.896 1.00 0.00 C ATOM 0 H TRP A 83 -3.361 6.956 -11.026 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.662 9.249 -9.172 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -1.992 8.134 -7.758 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -3.410 7.125 -7.965 1.00 0.00 H new ATOM 0 HD1 TRP A 83 0.261 7.377 -9.194 1.00 0.00 H new ATOM 0 HE1 TRP A 83 1.054 5.043 -9.982 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -4.187 4.894 -8.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -0.104 2.509 -10.358 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -4.267 2.506 -9.370 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -2.249 1.329 -10.149 1.00 0.00 H new ATOM 1303 N GLU A 84 -1.996 9.367 -11.598 1.00 0.00 N ATOM 1304 CA GLU A 84 -0.933 9.991 -12.378 1.00 0.00 C ATOM 1305 C GLU A 84 -1.067 11.511 -12.362 1.00 0.00 C ATOM 1306 O GLU A 84 -0.583 12.197 -13.263 1.00 0.00 O ATOM 1307 CB GLU A 84 -0.962 9.480 -13.820 1.00 0.00 C ATOM 1308 CG GLU A 84 0.074 8.406 -14.106 1.00 0.00 C ATOM 1309 CD GLU A 84 1.425 8.983 -14.481 1.00 0.00 C ATOM 1310 OE1 GLU A 84 1.456 10.017 -15.180 1.00 0.00 O ATOM 1311 OE2 GLU A 84 2.452 8.401 -14.074 1.00 0.00 O ATOM 0 H GLU A 84 -2.836 9.145 -12.132 1.00 0.00 H new ATOM 0 HA GLU A 84 0.021 9.723 -11.924 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.954 9.083 -14.036 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -0.800 10.319 -14.497 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.186 7.771 -13.227 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -0.282 7.769 -14.916 1.00 0.00 H new ATOM 1318 N LYS A 85 -1.726 12.030 -11.332 1.00 0.00 N ATOM 1319 CA LYS A 85 -1.923 13.468 -11.196 1.00 0.00 C ATOM 1320 C LYS A 85 -0.970 14.053 -10.159 1.00 0.00 C ATOM 1321 O LYS A 85 -0.906 13.579 -9.024 1.00 0.00 O ATOM 1322 CB LYS A 85 -3.371 13.770 -10.802 1.00 0.00 C ATOM 1323 CG LYS A 85 -4.398 13.111 -11.706 1.00 0.00 C ATOM 1324 CD LYS A 85 -4.737 13.990 -12.898 1.00 0.00 C ATOM 1325 CE LYS A 85 -3.822 13.706 -14.079 1.00 0.00 C ATOM 1326 NZ LYS A 85 -4.379 12.652 -14.972 1.00 0.00 N ATOM 0 H LYS A 85 -2.133 11.476 -10.579 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.711 13.931 -12.160 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -3.536 13.439 -9.777 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.525 14.849 -10.817 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.014 12.153 -12.057 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.304 12.902 -11.137 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.773 13.823 -13.191 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -4.651 15.039 -12.614 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -3.670 14.622 -14.649 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -2.844 13.393 -13.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -3.726 12.488 -15.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.500 11.770 -14.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.301 12.961 -15.341 1.00 0.00 H new ATOM 1340 N ASP A 86 -0.233 15.085 -10.555 1.00 0.00 N ATOM 1341 CA ASP A 86 0.715 15.735 -9.658 1.00 0.00 C ATOM 1342 C ASP A 86 0.046 16.112 -8.340 1.00 0.00 C ATOM 1343 O ASP A 86 0.588 15.861 -7.264 1.00 0.00 O ATOM 1344 CB ASP A 86 1.303 16.983 -10.321 1.00 0.00 C ATOM 1345 CG ASP A 86 0.252 17.806 -11.040 1.00 0.00 C ATOM 1346 OD1 ASP A 86 -0.307 17.310 -12.040 1.00 0.00 O ATOM 1347 OD2 ASP A 86 -0.010 18.946 -10.602 1.00 0.00 O ATOM 0 H ASP A 86 -0.274 15.489 -11.491 1.00 0.00 H new ATOM 0 HA ASP A 86 1.520 15.031 -9.447 1.00 0.00 H new ATOM 0 HB2 ASP A 86 1.787 17.599 -9.564 1.00 0.00 H new ATOM 0 HB3 ASP A 86 2.075 16.685 -11.031 1.00 0.00 H new ATOM 1352 N GLU A 87 -1.135 16.716 -8.433 1.00 0.00 N ATOM 1353 CA GLU A 87 -1.876 17.128 -7.247 1.00 0.00 C ATOM 1354 C GLU A 87 -1.782 16.071 -6.151 1.00 0.00 C ATOM 1355 O GLU A 87 -1.585 16.392 -4.979 1.00 0.00 O ATOM 1356 CB GLU A 87 -3.343 17.384 -7.599 1.00 0.00 C ATOM 1357 CG GLU A 87 -4.046 16.176 -8.195 1.00 0.00 C ATOM 1358 CD GLU A 87 -5.445 16.498 -8.684 1.00 0.00 C ATOM 1359 OE1 GLU A 87 -6.368 16.557 -7.846 1.00 0.00 O ATOM 1360 OE2 GLU A 87 -5.616 16.690 -9.907 1.00 0.00 O ATOM 0 H GLU A 87 -1.598 16.930 -9.316 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.432 18.051 -6.876 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.874 17.696 -6.700 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.399 18.212 -8.306 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.455 15.789 -9.025 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.100 15.386 -7.446 1.00 0.00 H new ATOM 1367 N TYR A 88 -1.924 14.809 -6.541 1.00 0.00 N ATOM 1368 CA TYR A 88 -1.858 13.704 -5.593 1.00 0.00 C ATOM 1369 C TYR A 88 -0.561 13.751 -4.790 1.00 0.00 C ATOM 1370 O TYR A 88 -0.557 13.518 -3.581 1.00 0.00 O ATOM 1371 CB TYR A 88 -1.968 12.366 -6.327 1.00 0.00 C ATOM 1372 CG TYR A 88 -3.363 12.061 -6.823 1.00 0.00 C ATOM 1373 CD1 TYR A 88 -4.459 12.154 -5.974 1.00 0.00 C ATOM 1374 CD2 TYR A 88 -3.586 11.678 -8.140 1.00 0.00 C ATOM 1375 CE1 TYR A 88 -5.736 11.875 -6.422 1.00 0.00 C ATOM 1376 CE2 TYR A 88 -4.859 11.398 -8.597 1.00 0.00 C ATOM 1377 CZ TYR A 88 -5.931 11.498 -7.735 1.00 0.00 C ATOM 1378 OH TYR A 88 -7.201 11.219 -8.186 1.00 0.00 O ATOM 0 H TYR A 88 -2.086 14.526 -7.508 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.696 13.802 -4.902 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -1.283 12.369 -7.174 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -1.646 11.567 -5.659 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -4.310 12.450 -4.946 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -2.749 11.598 -8.818 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -6.577 11.952 -5.748 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.014 11.102 -9.624 1.00 0.00 H new ATOM 0 HH TYR A 88 -7.164 10.970 -9.133 1.00 0.00 H new ATOM 1388 N LEU A 89 0.537 14.054 -5.472 1.00 0.00 N ATOM 1389 CA LEU A 89 1.842 14.134 -4.825 1.00 0.00 C ATOM 1390 C LEU A 89 1.723 14.743 -3.431 1.00 0.00 C ATOM 1391 O LEU A 89 2.356 14.280 -2.483 1.00 0.00 O ATOM 1392 CB LEU A 89 2.806 14.962 -5.675 1.00 0.00 C ATOM 1393 CG LEU A 89 3.258 14.326 -6.990 1.00 0.00 C ATOM 1394 CD1 LEU A 89 3.943 15.357 -7.874 1.00 0.00 C ATOM 1395 CD2 LEU A 89 4.186 13.150 -6.722 1.00 0.00 C ATOM 0 H LEU A 89 0.550 14.248 -6.473 1.00 0.00 H new ATOM 0 HA LEU A 89 2.233 13.121 -4.727 1.00 0.00 H new ATOM 0 HB2 LEU A 89 2.331 15.917 -5.901 1.00 0.00 H new ATOM 0 HB3 LEU A 89 3.691 15.180 -5.077 1.00 0.00 H new ATOM 0 HG LEU A 89 2.377 13.956 -7.514 1.00 0.00 H new ATOM 0 HD11 LEU A 89 4.258 14.886 -8.805 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.248 16.167 -8.094 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.815 15.758 -7.357 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.498 12.709 -7.669 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.064 13.496 -6.176 1.00 0.00 H new ATOM 0 HD23 LEU A 89 3.662 12.401 -6.128 1.00 0.00 H new ATOM 1407 N LYS A 90 0.905 15.784 -3.315 1.00 0.00 N ATOM 1408 CA LYS A 90 0.698 16.456 -2.037 1.00 0.00 C ATOM 1409 C LYS A 90 0.043 15.517 -1.029 1.00 0.00 C ATOM 1410 O LYS A 90 -0.840 14.727 -1.363 1.00 0.00 O ATOM 1411 CB LYS A 90 -0.169 17.702 -2.228 1.00 0.00 C ATOM 1412 CG LYS A 90 0.629 18.958 -2.534 1.00 0.00 C ATOM 1413 CD LYS A 90 1.156 18.950 -3.960 1.00 0.00 C ATOM 1414 CE LYS A 90 0.068 19.318 -4.957 1.00 0.00 C ATOM 1415 NZ LYS A 90 -0.135 20.791 -5.038 1.00 0.00 N ATOM 0 H LYS A 90 0.374 16.181 -4.091 1.00 0.00 H new ATOM 0 HA LYS A 90 1.672 16.755 -1.649 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.874 17.523 -3.040 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -0.758 17.867 -1.325 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.001 19.836 -2.382 1.00 0.00 H new ATOM 0 HG3 LYS A 90 1.463 19.039 -1.837 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.984 19.653 -4.047 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.550 17.962 -4.198 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.333 18.933 -5.942 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.867 18.838 -4.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.884 21.001 -5.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.412 21.155 -4.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.750 21.247 -5.339 1.00 0.00 H new ATOM 1429 N PRO A 91 0.483 15.606 0.235 1.00 0.00 N ATOM 1430 CA PRO A 91 -0.049 14.774 1.318 1.00 0.00 C ATOM 1431 C PRO A 91 -1.481 15.147 1.687 1.00 0.00 C ATOM 1432 O PRO A 91 -1.717 16.141 2.372 1.00 0.00 O ATOM 1433 CB PRO A 91 0.897 15.064 2.486 1.00 0.00 C ATOM 1434 CG PRO A 91 1.444 16.421 2.202 1.00 0.00 C ATOM 1435 CD PRO A 91 1.532 16.526 0.705 1.00 0.00 C ATOM 0 HA PRO A 91 -0.093 13.721 1.038 1.00 0.00 H new ATOM 0 HB2 PRO A 91 0.368 15.042 3.439 1.00 0.00 H new ATOM 0 HB3 PRO A 91 1.692 14.321 2.545 1.00 0.00 H new ATOM 0 HG2 PRO A 91 0.796 17.196 2.610 1.00 0.00 H new ATOM 0 HG3 PRO A 91 2.424 16.551 2.661 1.00 0.00 H new ATOM 0 HD2 PRO A 91 1.355 17.546 0.363 1.00 0.00 H new ATOM 0 HD3 PRO A 91 2.516 16.234 0.339 1.00 0.00 H new ATOM 1443 N VAL A 92 -2.434 14.342 1.228 1.00 0.00 N ATOM 1444 CA VAL A 92 -3.843 14.587 1.511 1.00 0.00 C ATOM 1445 C VAL A 92 -4.074 14.807 3.001 1.00 0.00 C ATOM 1446 O VAL A 92 -4.991 15.527 3.399 1.00 0.00 O ATOM 1447 CB VAL A 92 -4.723 13.416 1.033 1.00 0.00 C ATOM 1448 CG1 VAL A 92 -6.197 13.764 1.175 1.00 0.00 C ATOM 1449 CG2 VAL A 92 -4.389 13.050 -0.405 1.00 0.00 C ATOM 0 H VAL A 92 -2.256 13.515 0.659 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.123 15.489 0.966 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.516 12.549 1.661 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.803 12.925 0.833 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -6.423 13.972 2.221 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.423 14.644 0.573 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -5.020 12.221 -0.726 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.565 13.911 -1.050 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.342 12.755 -0.472 1.00 0.00 H new ATOM 1459 N LEU A 93 -3.237 14.183 3.822 1.00 0.00 N ATOM 1460 CA LEU A 93 -3.349 14.311 5.271 1.00 0.00 C ATOM 1461 C LEU A 93 -2.079 14.914 5.864 1.00 0.00 C ATOM 1462 O LEU A 93 -1.182 15.334 5.135 1.00 0.00 O ATOM 1463 CB LEU A 93 -3.622 12.946 5.904 1.00 0.00 C ATOM 1464 CG LEU A 93 -4.600 12.042 5.153 1.00 0.00 C ATOM 1465 CD1 LEU A 93 -3.852 11.113 4.210 1.00 0.00 C ATOM 1466 CD2 LEU A 93 -5.447 11.242 6.132 1.00 0.00 C ATOM 0 H LEU A 93 -2.473 13.583 3.509 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.183 14.979 5.488 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.674 12.418 6.004 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -4.006 13.105 6.912 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.263 12.671 4.560 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.565 10.477 3.684 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -3.290 11.704 3.486 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -3.164 10.491 4.782 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -6.137 10.604 5.579 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.799 10.623 6.753 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -6.013 11.925 6.766 1.00 0.00 H new ATOM 1478 N GLU A 94 -2.012 14.951 7.192 1.00 0.00 N ATOM 1479 CA GLU A 94 -0.851 15.501 7.882 1.00 0.00 C ATOM 1480 C GLU A 94 0.074 14.387 8.364 1.00 0.00 C ATOM 1481 O GLU A 94 -0.371 13.273 8.641 1.00 0.00 O ATOM 1482 CB GLU A 94 -1.295 16.360 9.068 1.00 0.00 C ATOM 1483 CG GLU A 94 -1.651 15.552 10.305 1.00 0.00 C ATOM 1484 CD GLU A 94 -3.103 15.113 10.316 1.00 0.00 C ATOM 1485 OE1 GLU A 94 -3.544 14.495 9.325 1.00 0.00 O ATOM 1486 OE2 GLU A 94 -3.797 15.387 11.318 1.00 0.00 O ATOM 0 H GLU A 94 -2.747 14.607 7.810 1.00 0.00 H new ATOM 0 HA GLU A 94 -0.302 16.125 7.176 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -0.497 17.059 9.318 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -2.159 16.955 8.772 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -1.009 14.673 10.358 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -1.449 16.148 11.195 1.00 0.00 H new ATOM 1493 N ASP A 95 1.362 14.697 8.461 1.00 0.00 N ATOM 1494 CA ASP A 95 2.350 13.723 8.910 1.00 0.00 C ATOM 1495 C ASP A 95 1.974 12.317 8.453 1.00 0.00 C ATOM 1496 O ASP A 95 1.872 11.397 9.264 1.00 0.00 O ATOM 1497 CB ASP A 95 2.479 13.761 10.433 1.00 0.00 C ATOM 1498 CG ASP A 95 3.762 13.117 10.922 1.00 0.00 C ATOM 1499 OD1 ASP A 95 4.820 13.359 10.303 1.00 0.00 O ATOM 1500 OD2 ASP A 95 3.708 12.373 11.923 1.00 0.00 O ATOM 0 H ASP A 95 1.746 15.614 8.235 1.00 0.00 H new ATOM 0 HA ASP A 95 3.310 13.985 8.466 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.444 14.796 10.772 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.626 13.250 10.880 1.00 0.00 H new ATOM 1505 N ASP A 96 1.769 12.159 7.150 1.00 0.00 N ATOM 1506 CA ASP A 96 1.404 10.865 6.585 1.00 0.00 C ATOM 1507 C ASP A 96 2.575 9.890 6.660 1.00 0.00 C ATOM 1508 O ASP A 96 3.447 9.882 5.790 1.00 0.00 O ATOM 1509 CB ASP A 96 0.952 11.028 5.133 1.00 0.00 C ATOM 1510 CG ASP A 96 -0.538 11.278 5.015 1.00 0.00 C ATOM 1511 OD1 ASP A 96 -1.317 10.535 5.649 1.00 0.00 O ATOM 1512 OD2 ASP A 96 -0.926 12.217 4.289 1.00 0.00 O ATOM 0 H ASP A 96 1.849 12.911 6.465 1.00 0.00 H new ATOM 0 HA ASP A 96 0.579 10.460 7.171 1.00 0.00 H new ATOM 0 HB2 ASP A 96 1.494 11.857 4.678 1.00 0.00 H new ATOM 0 HB3 ASP A 96 1.212 10.131 4.572 1.00 0.00 H new ATOM 1517 N LEU A 97 2.588 9.069 7.705 1.00 0.00 N ATOM 1518 CA LEU A 97 3.652 8.090 7.895 1.00 0.00 C ATOM 1519 C LEU A 97 3.828 7.227 6.649 1.00 0.00 C ATOM 1520 O LEU A 97 4.942 6.828 6.308 1.00 0.00 O ATOM 1521 CB LEU A 97 3.347 7.203 9.103 1.00 0.00 C ATOM 1522 CG LEU A 97 3.098 7.932 10.424 1.00 0.00 C ATOM 1523 CD1 LEU A 97 2.491 6.987 11.449 1.00 0.00 C ATOM 1524 CD2 LEU A 97 4.391 8.536 10.952 1.00 0.00 C ATOM 0 H LEU A 97 1.874 9.062 8.433 1.00 0.00 H new ATOM 0 HA LEU A 97 4.581 8.631 8.074 1.00 0.00 H new ATOM 0 HB2 LEU A 97 2.469 6.599 8.873 1.00 0.00 H new ATOM 0 HB3 LEU A 97 4.180 6.514 9.242 1.00 0.00 H new ATOM 0 HG LEU A 97 2.390 8.741 10.243 1.00 0.00 H new ATOM 0 HD11 LEU A 97 2.321 7.523 12.383 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.543 6.603 11.073 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.174 6.156 11.627 1.00 0.00 H new ATOM 0 HD21 LEU A 97 4.195 9.051 11.893 1.00 0.00 H new ATOM 0 HD22 LEU A 97 5.122 7.744 11.117 1.00 0.00 H new ATOM 0 HD23 LEU A 97 4.784 9.246 10.225 1.00 0.00 H new ATOM 1536 N LEU A 98 2.721 6.945 5.970 1.00 0.00 N ATOM 1537 CA LEU A 98 2.752 6.132 4.760 1.00 0.00 C ATOM 1538 C LEU A 98 3.600 6.795 3.680 1.00 0.00 C ATOM 1539 O LEU A 98 4.520 6.183 3.134 1.00 0.00 O ATOM 1540 CB LEU A 98 1.332 5.903 4.239 1.00 0.00 C ATOM 1541 CG LEU A 98 0.362 5.226 5.209 1.00 0.00 C ATOM 1542 CD1 LEU A 98 -1.019 5.103 4.584 1.00 0.00 C ATOM 1543 CD2 LEU A 98 0.888 3.858 5.619 1.00 0.00 C ATOM 0 H LEU A 98 1.791 7.268 6.237 1.00 0.00 H new ATOM 0 HA LEU A 98 3.201 5.171 5.010 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.912 6.867 3.951 1.00 0.00 H new ATOM 0 HB3 LEU A 98 1.392 5.298 3.334 1.00 0.00 H new ATOM 0 HG LEU A 98 0.279 5.845 6.103 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.695 4.619 5.289 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.398 6.096 4.341 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.955 4.506 3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.186 3.390 6.309 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.000 3.231 4.734 1.00 0.00 H new ATOM 0 HD23 LEU A 98 1.856 3.972 6.108 1.00 0.00 H new ATOM 1555 N LEU A 99 3.288 8.050 3.377 1.00 0.00 N ATOM 1556 CA LEU A 99 4.023 8.799 2.363 1.00 0.00 C ATOM 1557 C LEU A 99 5.514 8.829 2.684 1.00 0.00 C ATOM 1558 O LEU A 99 6.350 8.906 1.784 1.00 0.00 O ATOM 1559 CB LEU A 99 3.483 10.226 2.262 1.00 0.00 C ATOM 1560 CG LEU A 99 2.344 10.443 1.265 1.00 0.00 C ATOM 1561 CD1 LEU A 99 1.202 9.478 1.540 1.00 0.00 C ATOM 1562 CD2 LEU A 99 1.854 11.883 1.321 1.00 0.00 C ATOM 0 H LEU A 99 2.531 8.571 3.819 1.00 0.00 H new ATOM 0 HA LEU A 99 3.885 8.297 1.405 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.139 10.534 3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.307 10.887 1.992 1.00 0.00 H new ATOM 0 HG LEU A 99 2.723 10.248 0.262 1.00 0.00 H new ATOM 0 HD11 LEU A 99 0.401 9.648 0.820 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.561 8.453 1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.824 9.640 2.549 1.00 0.00 H new ATOM 0 HD21 LEU A 99 1.043 12.020 0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.493 12.106 2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 99 2.674 12.556 1.073 1.00 0.00 H new ATOM 1574 N GLN A 100 5.839 8.767 3.971 1.00 0.00 N ATOM 1575 CA GLN A 100 7.229 8.785 4.410 1.00 0.00 C ATOM 1576 C GLN A 100 7.712 7.379 4.751 1.00 0.00 C ATOM 1577 O GLN A 100 8.603 7.203 5.582 1.00 0.00 O ATOM 1578 CB GLN A 100 7.391 9.702 5.624 1.00 0.00 C ATOM 1579 CG GLN A 100 6.115 9.871 6.432 1.00 0.00 C ATOM 1580 CD GLN A 100 6.383 10.286 7.866 1.00 0.00 C ATOM 1581 OE1 GLN A 100 5.963 11.358 8.302 1.00 0.00 O ATOM 1582 NE2 GLN A 100 7.085 9.438 8.607 1.00 0.00 N ATOM 0 H GLN A 100 5.158 8.704 4.728 1.00 0.00 H new ATOM 0 HA GLN A 100 7.837 9.168 3.590 1.00 0.00 H new ATOM 0 HB2 GLN A 100 8.171 9.300 6.271 1.00 0.00 H new ATOM 0 HB3 GLN A 100 7.730 10.681 5.287 1.00 0.00 H new ATOM 0 HG2 GLN A 100 5.483 10.619 5.953 1.00 0.00 H new ATOM 0 HG3 GLN A 100 5.559 8.933 6.427 1.00 0.00 H new ATOM 0 HE21 GLN A 100 7.413 8.560 8.205 1.00 0.00 H new ATOM 0 HE22 GLN A 100 7.296 9.664 9.579 1.00 0.00 H new ATOM 1591 N PHE A 101 7.116 6.382 4.106 1.00 0.00 N ATOM 1592 CA PHE A 101 7.484 4.991 4.342 1.00 0.00 C ATOM 1593 C PHE A 101 8.663 4.583 3.463 1.00 0.00 C ATOM 1594 O PHE A 101 8.872 5.144 2.387 1.00 0.00 O ATOM 1595 CB PHE A 101 6.290 4.073 4.073 1.00 0.00 C ATOM 1596 CG PHE A 101 6.670 2.629 3.908 1.00 0.00 C ATOM 1597 CD1 PHE A 101 6.852 1.816 5.014 1.00 0.00 C ATOM 1598 CD2 PHE A 101 6.846 2.085 2.645 1.00 0.00 C ATOM 1599 CE1 PHE A 101 7.201 0.486 4.866 1.00 0.00 C ATOM 1600 CE2 PHE A 101 7.194 0.757 2.491 1.00 0.00 C ATOM 1601 CZ PHE A 101 7.373 -0.043 3.603 1.00 0.00 C ATOM 0 H PHE A 101 6.376 6.511 3.416 1.00 0.00 H new ATOM 0 HA PHE A 101 7.781 4.892 5.386 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.581 4.162 4.896 1.00 0.00 H new ATOM 0 HB3 PHE A 101 5.778 4.411 3.172 1.00 0.00 H new ATOM 0 HD1 PHE A 101 6.720 2.226 6.005 1.00 0.00 H new ATOM 0 HD2 PHE A 101 6.710 2.706 1.772 1.00 0.00 H new ATOM 0 HE1 PHE A 101 7.339 -0.137 5.737 1.00 0.00 H new ATOM 0 HE2 PHE A 101 7.326 0.344 1.502 1.00 0.00 H new ATOM 0 HZ PHE A 101 7.647 -1.081 3.484 1.00 0.00 H new ATOM 1611 N ASP A 102 9.429 3.603 3.929 1.00 0.00 N ATOM 1612 CA ASP A 102 10.587 3.119 3.186 1.00 0.00 C ATOM 1613 C ASP A 102 10.157 2.190 2.055 1.00 0.00 C ATOM 1614 O ASP A 102 10.263 0.968 2.167 1.00 0.00 O ATOM 1615 CB ASP A 102 11.552 2.391 4.122 1.00 0.00 C ATOM 1616 CG ASP A 102 12.451 3.345 4.884 1.00 0.00 C ATOM 1617 OD1 ASP A 102 13.191 4.112 4.232 1.00 0.00 O ATOM 1618 OD2 ASP A 102 12.414 3.326 6.132 1.00 0.00 O ATOM 0 H ASP A 102 9.269 3.128 4.817 1.00 0.00 H new ATOM 0 HA ASP A 102 11.095 3.980 2.751 1.00 0.00 H new ATOM 0 HB2 ASP A 102 10.982 1.790 4.830 1.00 0.00 H new ATOM 0 HB3 ASP A 102 12.167 1.703 3.542 1.00 0.00 H new ATOM 1623 N VAL A 103 9.670 2.776 0.967 1.00 0.00 N ATOM 1624 CA VAL A 103 9.223 2.001 -0.185 1.00 0.00 C ATOM 1625 C VAL A 103 10.408 1.504 -1.005 1.00 0.00 C ATOM 1626 O VAL A 103 10.262 0.626 -1.854 1.00 0.00 O ATOM 1627 CB VAL A 103 8.296 2.830 -1.094 1.00 0.00 C ATOM 1628 CG1 VAL A 103 9.035 4.035 -1.656 1.00 0.00 C ATOM 1629 CG2 VAL A 103 7.738 1.966 -2.214 1.00 0.00 C ATOM 0 H VAL A 103 9.575 3.786 0.858 1.00 0.00 H new ATOM 0 HA VAL A 103 8.669 1.147 0.204 1.00 0.00 H new ATOM 0 HB VAL A 103 7.461 3.194 -0.496 1.00 0.00 H new ATOM 0 HG11 VAL A 103 8.363 4.608 -2.295 1.00 0.00 H new ATOM 0 HG12 VAL A 103 9.381 4.665 -0.836 1.00 0.00 H new ATOM 0 HG13 VAL A 103 9.891 3.697 -2.240 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.085 2.567 -2.847 1.00 0.00 H new ATOM 0 HG22 VAL A 103 8.559 1.570 -2.812 1.00 0.00 H new ATOM 0 HG23 VAL A 103 7.169 1.140 -1.787 1.00 0.00 H new ATOM 1639 N GLU A 104 11.582 2.071 -0.744 1.00 0.00 N ATOM 1640 CA GLU A 104 12.792 1.684 -1.459 1.00 0.00 C ATOM 1641 C GLU A 104 13.110 0.209 -1.232 1.00 0.00 C ATOM 1642 O GLU A 104 13.465 -0.511 -2.166 1.00 0.00 O ATOM 1643 CB GLU A 104 13.974 2.547 -1.010 1.00 0.00 C ATOM 1644 CG GLU A 104 13.813 4.020 -1.344 1.00 0.00 C ATOM 1645 CD GLU A 104 15.016 4.847 -0.931 1.00 0.00 C ATOM 1646 OE1 GLU A 104 16.136 4.297 -0.914 1.00 0.00 O ATOM 1647 OE2 GLU A 104 14.835 6.044 -0.625 1.00 0.00 O ATOM 0 H GLU A 104 11.720 2.799 -0.043 1.00 0.00 H new ATOM 0 HA GLU A 104 12.620 1.841 -2.524 1.00 0.00 H new ATOM 0 HB2 GLU A 104 14.103 2.439 0.067 1.00 0.00 H new ATOM 0 HB3 GLU A 104 14.884 2.174 -1.479 1.00 0.00 H new ATOM 0 HG2 GLU A 104 13.652 4.130 -2.416 1.00 0.00 H new ATOM 0 HG3 GLU A 104 12.923 4.406 -0.847 1.00 0.00 H new ATOM 1654 N ASP A 105 12.981 -0.233 0.014 1.00 0.00 N ATOM 1655 CA ASP A 105 13.254 -1.622 0.364 1.00 0.00 C ATOM 1656 C ASP A 105 12.497 -2.574 -0.557 1.00 0.00 C ATOM 1657 O ASP A 105 12.929 -3.703 -0.791 1.00 0.00 O ATOM 1658 CB ASP A 105 12.869 -1.888 1.820 1.00 0.00 C ATOM 1659 CG ASP A 105 12.874 -3.365 2.160 1.00 0.00 C ATOM 1660 OD1 ASP A 105 13.799 -4.075 1.710 1.00 0.00 O ATOM 1661 OD2 ASP A 105 11.955 -3.812 2.877 1.00 0.00 O ATOM 0 H ASP A 105 12.689 0.350 0.798 1.00 0.00 H new ATOM 0 HA ASP A 105 14.322 -1.799 0.240 1.00 0.00 H new ATOM 0 HB2 ASP A 105 13.563 -1.365 2.478 1.00 0.00 H new ATOM 0 HB3 ASP A 105 11.878 -1.478 2.011 1.00 0.00 H new ATOM 1666 N LEU A 106 11.366 -2.110 -1.077 1.00 0.00 N ATOM 1667 CA LEU A 106 10.548 -2.921 -1.972 1.00 0.00 C ATOM 1668 C LEU A 106 11.260 -3.152 -3.301 1.00 0.00 C ATOM 1669 O LEU A 106 11.111 -4.205 -3.922 1.00 0.00 O ATOM 1670 CB LEU A 106 9.198 -2.242 -2.216 1.00 0.00 C ATOM 1671 CG LEU A 106 8.351 -1.967 -0.973 1.00 0.00 C ATOM 1672 CD1 LEU A 106 6.977 -1.450 -1.367 1.00 0.00 C ATOM 1673 CD2 LEU A 106 8.227 -3.224 -0.123 1.00 0.00 C ATOM 0 H LEU A 106 10.995 -1.178 -0.895 1.00 0.00 H new ATOM 0 HA LEU A 106 10.382 -3.888 -1.497 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.377 -1.295 -2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.618 -2.866 -2.896 1.00 0.00 H new ATOM 0 HG LEU A 106 8.849 -1.199 -0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.389 -1.260 -0.469 1.00 0.00 H new ATOM 0 HD12 LEU A 106 7.085 -0.525 -1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.471 -2.194 -1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 106 7.621 -3.010 0.757 1.00 0.00 H new ATOM 0 HD22 LEU A 106 7.753 -4.013 -0.707 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.219 -3.551 0.190 1.00 0.00 H new ATOM 1685 N TYR A 107 12.036 -2.164 -3.730 1.00 0.00 N ATOM 1686 CA TYR A 107 12.772 -2.259 -4.985 1.00 0.00 C ATOM 1687 C TYR A 107 14.005 -3.144 -4.828 1.00 0.00 C ATOM 1688 O TYR A 107 14.894 -2.850 -4.029 1.00 0.00 O ATOM 1689 CB TYR A 107 13.187 -0.868 -5.465 1.00 0.00 C ATOM 1690 CG TYR A 107 12.049 0.128 -5.493 1.00 0.00 C ATOM 1691 CD1 TYR A 107 10.817 -0.211 -6.039 1.00 0.00 C ATOM 1692 CD2 TYR A 107 12.205 1.407 -4.973 1.00 0.00 C ATOM 1693 CE1 TYR A 107 9.774 0.695 -6.066 1.00 0.00 C ATOM 1694 CE2 TYR A 107 11.168 2.318 -4.995 1.00 0.00 C ATOM 1695 CZ TYR A 107 9.954 1.958 -5.543 1.00 0.00 C ATOM 1696 OH TYR A 107 8.919 2.864 -5.568 1.00 0.00 O ATOM 0 H TYR A 107 12.172 -1.287 -3.227 1.00 0.00 H new ATOM 0 HA TYR A 107 12.115 -2.711 -5.728 1.00 0.00 H new ATOM 0 HB2 TYR A 107 13.975 -0.488 -4.814 1.00 0.00 H new ATOM 0 HB3 TYR A 107 13.612 -0.950 -6.466 1.00 0.00 H new ATOM 0 HD1 TYR A 107 10.672 -1.199 -6.449 1.00 0.00 H new ATOM 0 HD2 TYR A 107 13.154 1.693 -4.544 1.00 0.00 H new ATOM 0 HE1 TYR A 107 8.823 0.415 -6.494 1.00 0.00 H new ATOM 0 HE2 TYR A 107 11.306 3.308 -4.585 1.00 0.00 H new ATOM 0 HH TYR A 107 8.125 2.443 -5.959 1.00 0.00 H new ATOM 1706 N GLU A 108 14.051 -4.227 -5.597 1.00 0.00 N ATOM 1707 CA GLU A 108 15.175 -5.155 -5.542 1.00 0.00 C ATOM 1708 C GLU A 108 15.981 -5.108 -6.837 1.00 0.00 C ATOM 1709 O GLU A 108 15.795 -5.920 -7.744 1.00 0.00 O ATOM 1710 CB GLU A 108 14.677 -6.579 -5.289 1.00 0.00 C ATOM 1711 CG GLU A 108 13.879 -6.726 -4.005 1.00 0.00 C ATOM 1712 CD GLU A 108 14.731 -6.541 -2.764 1.00 0.00 C ATOM 1713 OE1 GLU A 108 14.959 -5.378 -2.369 1.00 0.00 O ATOM 1714 OE2 GLU A 108 15.169 -7.559 -2.189 1.00 0.00 O ATOM 0 H GLU A 108 13.324 -4.484 -6.265 1.00 0.00 H new ATOM 0 HA GLU A 108 15.823 -4.854 -4.719 1.00 0.00 H new ATOM 0 HB2 GLU A 108 14.058 -6.893 -6.129 1.00 0.00 H new ATOM 0 HB3 GLU A 108 15.533 -7.253 -5.254 1.00 0.00 H new ATOM 0 HG2 GLU A 108 13.071 -5.995 -3.998 1.00 0.00 H new ATOM 0 HG3 GLU A 108 13.417 -7.713 -3.980 1.00 0.00 H new ATOM 1721 N PRO A 109 16.900 -4.134 -6.927 1.00 0.00 N ATOM 1722 CA PRO A 109 17.753 -3.958 -8.106 1.00 0.00 C ATOM 1723 C PRO A 109 18.781 -5.075 -8.249 1.00 0.00 C ATOM 1724 O PRO A 109 18.722 -6.081 -7.543 1.00 0.00 O ATOM 1725 CB PRO A 109 18.450 -2.621 -7.842 1.00 0.00 C ATOM 1726 CG PRO A 109 18.443 -2.476 -6.359 1.00 0.00 C ATOM 1727 CD PRO A 109 17.175 -3.131 -5.885 1.00 0.00 C ATOM 0 HA PRO A 109 17.179 -3.980 -9.032 1.00 0.00 H new ATOM 0 HB2 PRO A 109 19.467 -2.620 -8.235 1.00 0.00 H new ATOM 0 HB3 PRO A 109 17.922 -1.798 -8.323 1.00 0.00 H new ATOM 0 HG2 PRO A 109 19.318 -2.953 -5.916 1.00 0.00 H new ATOM 0 HG3 PRO A 109 18.472 -1.426 -6.069 1.00 0.00 H new ATOM 0 HD2 PRO A 109 17.303 -3.593 -4.906 1.00 0.00 H new ATOM 0 HD3 PRO A 109 16.361 -2.412 -5.794 1.00 0.00 H new ATOM 1735 N VAL A 110 19.723 -4.891 -9.169 1.00 0.00 N ATOM 1736 CA VAL A 110 20.766 -5.883 -9.405 1.00 0.00 C ATOM 1737 C VAL A 110 22.150 -5.296 -9.154 1.00 0.00 C ATOM 1738 O VAL A 110 22.860 -4.932 -10.091 1.00 0.00 O ATOM 1739 CB VAL A 110 20.705 -6.430 -10.843 1.00 0.00 C ATOM 1740 CG1 VAL A 110 21.745 -7.522 -11.044 1.00 0.00 C ATOM 1741 CG2 VAL A 110 19.310 -6.948 -11.158 1.00 0.00 C ATOM 0 H VAL A 110 19.785 -4.064 -9.763 1.00 0.00 H new ATOM 0 HA VAL A 110 20.589 -6.700 -8.706 1.00 0.00 H new ATOM 0 HB VAL A 110 20.930 -5.616 -11.532 1.00 0.00 H new ATOM 0 HG11 VAL A 110 21.687 -7.896 -12.066 1.00 0.00 H new ATOM 0 HG12 VAL A 110 22.740 -7.115 -10.863 1.00 0.00 H new ATOM 0 HG13 VAL A 110 21.555 -8.338 -10.347 1.00 0.00 H new ATOM 0 HG21 VAL A 110 19.286 -7.331 -12.178 1.00 0.00 H new ATOM 0 HG22 VAL A 110 19.054 -7.749 -10.464 1.00 0.00 H new ATOM 0 HG23 VAL A 110 18.589 -6.136 -11.058 1.00 0.00 H new ATOM 1751 N SER A 111 22.527 -5.206 -7.882 1.00 0.00 N ATOM 1752 CA SER A 111 23.826 -4.660 -7.507 1.00 0.00 C ATOM 1753 C SER A 111 24.085 -4.850 -6.016 1.00 0.00 C ATOM 1754 O SER A 111 23.485 -4.176 -5.177 1.00 0.00 O ATOM 1755 CB SER A 111 23.900 -3.174 -7.863 1.00 0.00 C ATOM 1756 OG SER A 111 25.234 -2.779 -8.132 1.00 0.00 O ATOM 0 H SER A 111 21.951 -5.504 -7.094 1.00 0.00 H new ATOM 0 HA SER A 111 24.593 -5.199 -8.063 1.00 0.00 H new ATOM 0 HB2 SER A 111 23.276 -2.974 -8.734 1.00 0.00 H new ATOM 0 HB3 SER A 111 23.500 -2.580 -7.041 1.00 0.00 H new ATOM 0 HG SER A 111 25.254 -1.826 -8.358 1.00 0.00 H new ATOM 1762 N THR A 112 24.984 -5.774 -5.691 1.00 0.00 N ATOM 1763 CA THR A 112 25.323 -6.056 -4.302 1.00 0.00 C ATOM 1764 C THR A 112 26.528 -6.985 -4.207 1.00 0.00 C ATOM 1765 O THR A 112 26.610 -8.006 -4.891 1.00 0.00 O ATOM 1766 CB THR A 112 24.138 -6.693 -3.552 1.00 0.00 C ATOM 1767 OG1 THR A 112 24.409 -6.729 -2.147 1.00 0.00 O ATOM 1768 CG2 THR A 112 23.871 -8.102 -4.059 1.00 0.00 C ATOM 0 H THR A 112 25.491 -6.340 -6.372 1.00 0.00 H new ATOM 0 HA THR A 112 25.567 -5.101 -3.837 1.00 0.00 H new ATOM 0 HB THR A 112 23.252 -6.085 -3.734 1.00 0.00 H new ATOM 0 HG1 THR A 112 23.650 -7.134 -1.678 1.00 0.00 H new ATOM 0 HG21 THR A 112 23.030 -8.531 -3.515 1.00 0.00 H new ATOM 0 HG22 THR A 112 23.635 -8.067 -5.123 1.00 0.00 H new ATOM 0 HG23 THR A 112 24.756 -8.718 -3.904 1.00 0.00 H new ATOM 1776 N PRO A 113 27.486 -6.627 -3.340 1.00 0.00 N ATOM 1777 CA PRO A 113 28.704 -7.417 -3.134 1.00 0.00 C ATOM 1778 C PRO A 113 28.424 -8.740 -2.430 1.00 0.00 C ATOM 1779 O PRO A 113 29.343 -9.510 -2.146 1.00 0.00 O ATOM 1780 CB PRO A 113 29.568 -6.513 -2.251 1.00 0.00 C ATOM 1781 CG PRO A 113 28.595 -5.639 -1.537 1.00 0.00 C ATOM 1782 CD PRO A 113 27.454 -5.423 -2.492 1.00 0.00 C ATOM 0 HA PRO A 113 29.176 -7.692 -4.077 1.00 0.00 H new ATOM 0 HB2 PRO A 113 30.164 -7.097 -1.550 1.00 0.00 H new ATOM 0 HB3 PRO A 113 30.264 -5.925 -2.848 1.00 0.00 H new ATOM 0 HG2 PRO A 113 28.250 -6.110 -0.617 1.00 0.00 H new ATOM 0 HG3 PRO A 113 29.054 -4.691 -1.257 1.00 0.00 H new ATOM 0 HD2 PRO A 113 26.504 -5.326 -1.967 1.00 0.00 H new ATOM 0 HD3 PRO A 113 27.588 -4.514 -3.079 1.00 0.00 H new ATOM 1790 N PHE A 114 27.151 -8.999 -2.151 1.00 0.00 N ATOM 1791 CA PHE A 114 26.751 -10.230 -1.480 1.00 0.00 C ATOM 1792 C PHE A 114 27.675 -11.383 -1.861 1.00 0.00 C ATOM 1793 O PHE A 114 28.163 -11.455 -2.989 1.00 0.00 O ATOM 1794 CB PHE A 114 25.305 -10.583 -1.833 1.00 0.00 C ATOM 1795 CG PHE A 114 24.678 -11.564 -0.885 1.00 0.00 C ATOM 1796 CD1 PHE A 114 24.275 -11.165 0.379 1.00 0.00 C ATOM 1797 CD2 PHE A 114 24.491 -12.886 -1.257 1.00 0.00 C ATOM 1798 CE1 PHE A 114 23.697 -12.065 1.255 1.00 0.00 C ATOM 1799 CE2 PHE A 114 23.914 -13.790 -0.387 1.00 0.00 C ATOM 1800 CZ PHE A 114 23.517 -13.380 0.871 1.00 0.00 C ATOM 0 H PHE A 114 26.379 -8.373 -2.379 1.00 0.00 H new ATOM 0 HA PHE A 114 26.826 -10.068 -0.405 1.00 0.00 H new ATOM 0 HB2 PHE A 114 24.709 -9.670 -1.845 1.00 0.00 H new ATOM 0 HB3 PHE A 114 25.276 -10.996 -2.841 1.00 0.00 H new ATOM 0 HD1 PHE A 114 24.414 -10.138 0.684 1.00 0.00 H new ATOM 0 HD2 PHE A 114 24.800 -13.213 -2.239 1.00 0.00 H new ATOM 0 HE1 PHE A 114 23.387 -11.741 2.237 1.00 0.00 H new ATOM 0 HE2 PHE A 114 23.773 -14.817 -0.690 1.00 0.00 H new ATOM 0 HZ PHE A 114 23.067 -14.086 1.553 1.00 0.00 H new ATOM 1810 N SER A 115 27.911 -12.284 -0.912 1.00 0.00 N ATOM 1811 CA SER A 115 28.780 -13.431 -1.146 1.00 0.00 C ATOM 1812 C SER A 115 28.380 -14.605 -0.258 1.00 0.00 C ATOM 1813 O SER A 115 27.434 -14.513 0.524 1.00 0.00 O ATOM 1814 CB SER A 115 30.240 -13.054 -0.885 1.00 0.00 C ATOM 1815 OG SER A 115 30.458 -12.782 0.488 1.00 0.00 O ATOM 0 H SER A 115 27.512 -12.241 0.026 1.00 0.00 H new ATOM 0 HA SER A 115 28.671 -13.732 -2.188 1.00 0.00 H new ATOM 0 HB2 SER A 115 30.892 -13.867 -1.206 1.00 0.00 H new ATOM 0 HB3 SER A 115 30.505 -12.179 -1.479 1.00 0.00 H new ATOM 0 HG SER A 115 31.398 -12.545 0.629 1.00 0.00 H new ATOM 1821 N SER A 116 29.108 -15.710 -0.385 1.00 0.00 N ATOM 1822 CA SER A 116 28.828 -16.905 0.402 1.00 0.00 C ATOM 1823 C SER A 116 30.080 -17.381 1.132 1.00 0.00 C ATOM 1824 O SER A 116 30.761 -18.302 0.684 1.00 0.00 O ATOM 1825 CB SER A 116 28.293 -18.021 -0.498 1.00 0.00 C ATOM 1826 OG SER A 116 26.920 -17.827 -0.790 1.00 0.00 O ATOM 0 H SER A 116 29.896 -15.802 -1.026 1.00 0.00 H new ATOM 0 HA SER A 116 28.071 -16.652 1.144 1.00 0.00 H new ATOM 0 HB2 SER A 116 28.865 -18.050 -1.426 1.00 0.00 H new ATOM 0 HB3 SER A 116 28.431 -18.985 -0.008 1.00 0.00 H new ATOM 0 HG SER A 116 26.603 -18.552 -1.368 1.00 0.00 H new ATOM 1832 N GLY A 117 30.377 -16.745 2.261 1.00 0.00 N ATOM 1833 CA GLY A 117 31.546 -17.115 3.036 1.00 0.00 C ATOM 1834 C GLY A 117 32.010 -16.003 3.955 1.00 0.00 C ATOM 1835 O GLY A 117 32.978 -15.297 3.671 1.00 0.00 O ATOM 0 H GLY A 117 29.828 -15.980 2.653 1.00 0.00 H new ATOM 0 HA2 GLY A 117 31.319 -18.001 3.629 1.00 0.00 H new ATOM 0 HA3 GLY A 117 32.357 -17.384 2.359 1.00 0.00 H new ATOM 1839 N PRO A 118 31.308 -15.832 5.085 1.00 0.00 N ATOM 1840 CA PRO A 118 31.634 -14.798 6.071 1.00 0.00 C ATOM 1841 C PRO A 118 32.937 -15.089 6.809 1.00 0.00 C ATOM 1842 O PRO A 118 33.817 -14.233 6.895 1.00 0.00 O ATOM 1843 CB PRO A 118 30.449 -14.845 7.040 1.00 0.00 C ATOM 1844 CG PRO A 118 29.915 -16.230 6.918 1.00 0.00 C ATOM 1845 CD PRO A 118 30.142 -16.637 5.488 1.00 0.00 C ATOM 0 HA PRO A 118 31.783 -13.824 5.605 1.00 0.00 H new ATOM 0 HB2 PRO A 118 30.764 -14.631 8.061 1.00 0.00 H new ATOM 0 HB3 PRO A 118 29.693 -14.105 6.777 1.00 0.00 H new ATOM 0 HG2 PRO A 118 30.426 -16.907 7.602 1.00 0.00 H new ATOM 0 HG3 PRO A 118 28.855 -16.263 7.170 1.00 0.00 H new ATOM 0 HD2 PRO A 118 30.342 -17.705 5.401 1.00 0.00 H new ATOM 0 HD3 PRO A 118 29.272 -16.424 4.867 1.00 0.00 H new ATOM 1853 N SER A 119 33.053 -16.303 7.338 1.00 0.00 N ATOM 1854 CA SER A 119 34.247 -16.706 8.071 1.00 0.00 C ATOM 1855 C SER A 119 34.180 -18.183 8.449 1.00 0.00 C ATOM 1856 O SER A 119 33.133 -18.819 8.328 1.00 0.00 O ATOM 1857 CB SER A 119 34.411 -15.852 9.330 1.00 0.00 C ATOM 1858 OG SER A 119 33.387 -16.128 10.270 1.00 0.00 O ATOM 0 H SER A 119 32.335 -17.024 7.273 1.00 0.00 H new ATOM 0 HA SER A 119 35.110 -16.554 7.423 1.00 0.00 H new ATOM 0 HB2 SER A 119 35.384 -16.046 9.780 1.00 0.00 H new ATOM 0 HB3 SER A 119 34.388 -14.796 9.062 1.00 0.00 H new ATOM 0 HG SER A 119 33.736 -16.717 10.971 1.00 0.00 H new ATOM 1864 N SER A 120 35.305 -18.721 8.908 1.00 0.00 N ATOM 1865 CA SER A 120 35.376 -20.124 9.301 1.00 0.00 C ATOM 1866 C SER A 120 35.214 -20.274 10.811 1.00 0.00 C ATOM 1867 O SER A 120 34.403 -21.068 11.283 1.00 0.00 O ATOM 1868 CB SER A 120 36.707 -20.733 8.857 1.00 0.00 C ATOM 1869 OG SER A 120 36.810 -20.757 7.444 1.00 0.00 O ATOM 0 H SER A 120 36.179 -18.207 9.017 1.00 0.00 H new ATOM 0 HA SER A 120 34.560 -20.655 8.811 1.00 0.00 H new ATOM 0 HB2 SER A 120 37.532 -20.156 9.275 1.00 0.00 H new ATOM 0 HB3 SER A 120 36.796 -21.746 9.249 1.00 0.00 H new ATOM 0 HG SER A 120 37.670 -21.149 7.185 1.00 0.00 H new ATOM 1875 N GLY A 121 35.995 -19.504 11.563 1.00 0.00 N ATOM 1876 CA GLY A 121 35.923 -19.565 13.011 1.00 0.00 C ATOM 1877 C GLY A 121 34.840 -18.669 13.577 1.00 0.00 C ATOM 1878 O GLY A 121 34.140 -18.015 12.806 1.00 0.00 O ATOM 0 H GLY A 121 36.676 -18.839 11.195 1.00 0.00 H new ATOM 0 HA2 GLY A 121 35.737 -20.594 13.319 1.00 0.00 H new ATOM 0 HA3 GLY A 121 36.886 -19.276 13.432 1.00 0.00 H new TER 1882 GLY A 121 HETATM 1883 ZN ZN A 201 -8.578 -0.412 6.682 1.00 0.00 ZN