USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 986 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 100 THR OG1 : rot -170:sc= -0.402 USER MOD Set 3.1: A 97 TYR OH : rot -89:sc= 0.873 USER MOD Set 3.2: A 99 HIS : no HD1:sc= 0.879 K(o=2.8,f=-4.7) USER MOD Set 3.3: A 112 SER OG : rot -52:sc= 1.08 USER MOD Set 4.1: A 82 THR OG1 : rot 50:sc= 0.389 USER MOD Set 4.2: A 93 ASN : amide:sc= -0.291 X(o=0.097,f=0.37) USER MOD Set 5.1: A 58 SER OG : rot 23:sc= 0.65 USER MOD Set 5.2: A 60 THR OG1 : rot 180:sc= 0 USER MOD Set 6.1: A 12 LYS NZ :NH3+ -106:sc= 0.00862 (180deg=0) USER MOD Set 6.2: A 13 ASN : amide:sc= -1.16 K(o=-1.1,f=-2.9!) USER MOD Single : A 1 ALA N :NH3+ 177:sc= 0 (180deg=-0.028) USER MOD Single : A 3 THR OG1 : rot 15:sc= 0.324 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 171:sc= 0.54 USER MOD Single : A 10 SER OG : rot 180:sc= -0.154 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.421 X(o=-0.42,f=-0.16) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0519 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.932 X(o=-0.93,f=-0.53!) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -16:sc= 0.829 USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-1.8!) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -0.462 X(o=-0.46,f=-0.52) USER MOD Single : A 61 ASN : amide:sc= -0.811 X(o=-0.81,f=-0.94) USER MOD Single : A 62 THR OG1 : rot 180:sc=-0.00349 USER MOD Single : A 64 THR OG1 : rot -150:sc= 0.00984 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot -24:sc= -1.97! USER MOD Single : A 73 THR OG1 : rot -145:sc= 0.638 USER MOD Single : A 77 LYS NZ :NH3+ -169:sc= 0.781 (180deg=0.704) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -1.25 X(o=-1.2,f=-1.1) USER MOD Single : A 98 HIS : no HD1:sc= -0.674 K(o=-0.67,f=-0.051) USER MOD Single : A 113 THR OG1 : rot -11:sc= 0.563 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= -0.569 USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 7.138 -11.264 -9.632 1.00 0.00 N ATOM 2 CA ALA A 1 8.249 -11.492 -8.719 1.00 0.00 C ATOM 3 C ALA A 1 8.162 -10.525 -7.562 1.00 0.00 C ATOM 4 O ALA A 1 9.175 -9.968 -7.168 1.00 0.00 O ATOM 5 CB ALA A 1 9.582 -11.353 -9.498 1.00 0.00 C ATOM 0 H1 ALA A 1 7.228 -11.896 -10.453 1.00 0.00 H new ATOM 0 H2 ALA A 1 6.241 -11.458 -9.143 1.00 0.00 H new ATOM 0 H3 ALA A 1 7.150 -10.275 -9.954 1.00 0.00 H new ATOM 0 HA ALA A 1 8.204 -12.500 -8.306 1.00 0.00 H new ATOM 0 HB1 ALA A 1 10.419 -11.522 -8.820 1.00 0.00 H new ATOM 0 HB2 ALA A 1 9.612 -12.088 -10.302 1.00 0.00 H new ATOM 0 HB3 ALA A 1 9.654 -10.351 -9.920 1.00 0.00 H new ATOM 11 N PHE A 2 6.944 -10.311 -7.012 1.00 0.00 N ATOM 12 CA PHE A 2 6.767 -9.294 -5.979 1.00 0.00 C ATOM 13 C PHE A 2 7.114 -9.929 -4.650 1.00 0.00 C ATOM 14 O PHE A 2 8.269 -9.819 -4.272 1.00 0.00 O ATOM 15 CB PHE A 2 5.369 -8.631 -6.102 1.00 0.00 C ATOM 16 CG PHE A 2 5.227 -8.017 -7.502 1.00 0.00 C ATOM 17 CD1 PHE A 2 5.659 -6.709 -7.741 1.00 0.00 C ATOM 18 CD2 PHE A 2 4.673 -8.753 -8.556 1.00 0.00 C ATOM 19 CE1 PHE A 2 5.598 -6.162 -9.024 1.00 0.00 C ATOM 20 CE2 PHE A 2 4.643 -8.224 -9.851 1.00 0.00 C ATOM 21 CZ PHE A 2 5.124 -6.934 -10.086 1.00 0.00 C ATOM 0 H PHE A 2 6.097 -10.820 -7.265 1.00 0.00 H new ATOM 0 HA PHE A 2 7.444 -8.447 -6.092 1.00 0.00 H new ATOM 0 HB2 PHE A 2 4.586 -9.370 -5.934 1.00 0.00 H new ATOM 0 HB3 PHE A 2 5.249 -7.861 -5.340 1.00 0.00 H new ATOM 0 HD1 PHE A 2 6.044 -6.116 -6.925 1.00 0.00 H new ATOM 0 HD2 PHE A 2 4.266 -9.736 -8.368 1.00 0.00 H new ATOM 0 HE1 PHE A 2 5.917 -5.144 -9.194 1.00 0.00 H new ATOM 0 HE2 PHE A 2 4.249 -8.812 -10.667 1.00 0.00 H new ATOM 0 HZ PHE A 2 5.129 -6.534 -11.089 1.00 0.00 H new ATOM 31 N THR A 3 6.183 -10.609 -3.936 1.00 0.00 N ATOM 32 CA THR A 3 6.563 -11.371 -2.748 1.00 0.00 C ATOM 33 C THR A 3 7.500 -10.609 -1.839 1.00 0.00 C ATOM 34 O THR A 3 8.638 -11.023 -1.673 1.00 0.00 O ATOM 35 CB THR A 3 7.183 -12.724 -3.199 1.00 0.00 C ATOM 36 OG1 THR A 3 8.357 -12.471 -3.988 1.00 0.00 O ATOM 37 CG2 THR A 3 6.157 -13.550 -4.015 1.00 0.00 C ATOM 0 H THR A 3 5.189 -10.639 -4.165 1.00 0.00 H new ATOM 0 HA THR A 3 5.667 -11.555 -2.156 1.00 0.00 H new ATOM 0 HB THR A 3 7.457 -13.301 -2.316 1.00 0.00 H new ATOM 0 HG1 THR A 3 8.633 -11.538 -3.873 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.610 -14.493 -4.321 1.00 0.00 H new ATOM 0 HG22 THR A 3 5.280 -13.752 -3.399 1.00 0.00 H new ATOM 0 HG23 THR A 3 5.858 -12.987 -4.899 1.00 0.00 H new ATOM 45 N GLY A 4 7.046 -9.495 -1.224 1.00 0.00 N ATOM 46 CA GLY A 4 7.926 -8.802 -0.289 1.00 0.00 C ATOM 47 C GLY A 4 7.323 -7.544 0.280 1.00 0.00 C ATOM 48 O GLY A 4 6.246 -7.149 -0.137 1.00 0.00 O ATOM 0 H GLY A 4 6.123 -9.082 -1.354 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.179 -9.477 0.529 1.00 0.00 H new ATOM 0 HA3 GLY A 4 8.858 -8.552 -0.796 1.00 0.00 H new ATOM 52 N LYS A 5 8.040 -6.907 1.232 1.00 0.00 N ATOM 53 CA LYS A 5 7.621 -5.607 1.739 1.00 0.00 C ATOM 54 C LYS A 5 8.076 -4.570 0.746 1.00 0.00 C ATOM 55 O LYS A 5 8.968 -4.848 -0.041 1.00 0.00 O ATOM 56 CB LYS A 5 8.272 -5.259 3.107 1.00 0.00 C ATOM 57 CG LYS A 5 7.780 -6.190 4.247 1.00 0.00 C ATOM 58 CD LYS A 5 8.508 -5.929 5.598 1.00 0.00 C ATOM 59 CE LYS A 5 8.172 -4.552 6.241 1.00 0.00 C ATOM 60 NZ LYS A 5 8.832 -4.397 7.559 1.00 0.00 N ATOM 0 H LYS A 5 8.895 -7.274 1.651 1.00 0.00 H new ATOM 0 HA LYS A 5 6.540 -5.629 1.875 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.356 -5.335 3.021 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.044 -4.224 3.362 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.708 -6.052 4.385 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.932 -7.228 3.953 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.245 -6.720 6.300 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.584 -5.991 5.437 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.491 -3.750 5.576 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.093 -4.457 6.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 8.589 -3.470 7.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.508 -5.149 8.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 9.863 -4.464 7.441 1.00 0.00 H new ATOM 74 N TYR A 6 7.476 -3.362 0.804 1.00 0.00 N ATOM 75 CA TYR A 6 7.909 -2.272 -0.063 1.00 0.00 C ATOM 76 C TYR A 6 7.577 -0.963 0.608 1.00 0.00 C ATOM 77 O TYR A 6 6.590 -0.937 1.323 1.00 0.00 O ATOM 78 CB TYR A 6 7.214 -2.342 -1.445 1.00 0.00 C ATOM 79 CG TYR A 6 7.623 -3.623 -2.187 1.00 0.00 C ATOM 80 CD1 TYR A 6 8.807 -3.659 -2.930 1.00 0.00 C ATOM 81 CD2 TYR A 6 6.819 -4.768 -2.132 1.00 0.00 C ATOM 82 CE1 TYR A 6 9.222 -4.847 -3.537 1.00 0.00 C ATOM 83 CE2 TYR A 6 7.230 -5.955 -2.746 1.00 0.00 C ATOM 84 CZ TYR A 6 8.461 -6.010 -3.410 1.00 0.00 C ATOM 85 OH TYR A 6 8.937 -7.203 -3.954 1.00 0.00 O ATOM 0 H TYR A 6 6.707 -3.130 1.432 1.00 0.00 H new ATOM 0 HA TYR A 6 8.983 -2.356 -0.226 1.00 0.00 H new ATOM 0 HB2 TYR A 6 6.132 -2.319 -1.316 1.00 0.00 H new ATOM 0 HB3 TYR A 6 7.483 -1.469 -2.039 1.00 0.00 H new ATOM 0 HD1 TYR A 6 9.403 -2.765 -3.035 1.00 0.00 H new ATOM 0 HD2 TYR A 6 5.874 -4.734 -1.611 1.00 0.00 H new ATOM 0 HE1 TYR A 6 10.138 -4.865 -4.109 1.00 0.00 H new ATOM 0 HE2 TYR A 6 6.598 -6.830 -2.708 1.00 0.00 H new ATOM 0 HH TYR A 6 8.366 -7.945 -3.666 1.00 0.00 H new ATOM 95 N GLU A 7 8.360 0.119 0.397 1.00 0.00 N ATOM 96 CA GLU A 7 7.927 1.441 0.855 1.00 0.00 C ATOM 97 C GLU A 7 7.674 2.272 -0.370 1.00 0.00 C ATOM 98 O GLU A 7 8.400 2.103 -1.335 1.00 0.00 O ATOM 99 CB GLU A 7 8.950 2.182 1.754 1.00 0.00 C ATOM 100 CG GLU A 7 8.867 1.657 3.209 1.00 0.00 C ATOM 101 CD GLU A 7 9.937 2.249 4.091 1.00 0.00 C ATOM 102 OE1 GLU A 7 11.109 2.343 3.639 1.00 0.00 O ATOM 103 OE2 GLU A 7 9.614 2.627 5.252 1.00 0.00 O ATOM 0 H GLU A 7 9.265 0.098 -0.073 1.00 0.00 H new ATOM 0 HA GLU A 7 7.041 1.296 1.473 1.00 0.00 H new ATOM 0 HB2 GLU A 7 9.958 2.037 1.365 1.00 0.00 H new ATOM 0 HB3 GLU A 7 8.752 3.254 1.735 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.886 1.892 3.623 1.00 0.00 H new ATOM 0 HG3 GLU A 7 8.960 0.571 3.207 1.00 0.00 H new ATOM 110 N ILE A 8 6.665 3.170 -0.332 1.00 0.00 N ATOM 111 CA ILE A 8 6.418 4.059 -1.465 1.00 0.00 C ATOM 112 C ILE A 8 7.103 5.352 -1.107 1.00 0.00 C ATOM 113 O ILE A 8 6.895 5.791 0.013 1.00 0.00 O ATOM 114 CB ILE A 8 4.893 4.245 -1.734 1.00 0.00 C ATOM 115 CG1 ILE A 8 4.333 2.914 -2.319 1.00 0.00 C ATOM 116 CG2 ILE A 8 4.641 5.450 -2.684 1.00 0.00 C ATOM 117 CD1 ILE A 8 2.794 2.831 -2.480 1.00 0.00 C ATOM 0 H ILE A 8 6.028 3.290 0.455 1.00 0.00 H new ATOM 0 HA ILE A 8 6.810 3.650 -2.396 1.00 0.00 H new ATOM 0 HB ILE A 8 4.372 4.472 -0.804 1.00 0.00 H new ATOM 0 HG12 ILE A 8 4.789 2.750 -3.295 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.655 2.095 -1.676 1.00 0.00 H new ATOM 0 HG21 ILE A 8 3.570 5.560 -2.857 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.030 6.360 -2.228 1.00 0.00 H new ATOM 0 HG23 ILE A 8 5.146 5.276 -3.634 1.00 0.00 H new ATOM 0 HD11 ILE A 8 2.523 1.860 -2.895 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.319 2.954 -1.507 1.00 0.00 H new ATOM 0 HD13 ILE A 8 2.455 3.620 -3.151 1.00 0.00 H new ATOM 129 N GLU A 9 7.903 5.960 -2.017 1.00 0.00 N ATOM 130 CA GLU A 9 8.575 7.219 -1.694 1.00 0.00 C ATOM 131 C GLU A 9 8.286 8.332 -2.677 1.00 0.00 C ATOM 132 O GLU A 9 8.863 9.390 -2.478 1.00 0.00 O ATOM 133 CB GLU A 9 10.086 6.956 -1.428 1.00 0.00 C ATOM 134 CG GLU A 9 10.907 6.565 -2.686 1.00 0.00 C ATOM 135 CD GLU A 9 11.098 7.749 -3.597 1.00 0.00 C ATOM 136 OE1 GLU A 9 11.946 8.622 -3.268 1.00 0.00 O ATOM 137 OE2 GLU A 9 10.407 7.823 -4.645 1.00 0.00 O ATOM 0 H GLU A 9 8.089 5.602 -2.954 1.00 0.00 H new ATOM 0 HA GLU A 9 8.151 7.608 -0.768 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.525 7.852 -0.988 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.178 6.160 -0.689 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.879 6.174 -2.383 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.396 5.767 -3.224 1.00 0.00 H new ATOM 144 N SER A 10 7.406 8.168 -3.698 1.00 0.00 N ATOM 145 CA SER A 10 7.031 9.313 -4.533 1.00 0.00 C ATOM 146 C SER A 10 5.926 8.964 -5.508 1.00 0.00 C ATOM 147 O SER A 10 5.800 7.801 -5.860 1.00 0.00 O ATOM 148 CB SER A 10 8.195 9.875 -5.391 1.00 0.00 C ATOM 149 OG SER A 10 7.717 10.993 -6.161 1.00 0.00 O ATOM 0 H SER A 10 6.963 7.284 -3.948 1.00 0.00 H new ATOM 0 HA SER A 10 6.712 10.063 -3.809 1.00 0.00 H new ATOM 0 HB2 SER A 10 9.019 10.186 -4.749 1.00 0.00 H new ATOM 0 HB3 SER A 10 8.582 9.100 -6.053 1.00 0.00 H new ATOM 0 HG SER A 10 8.449 11.353 -6.704 1.00 0.00 H new ATOM 155 N GLU A 11 5.144 9.977 -5.955 1.00 0.00 N ATOM 156 CA GLU A 11 4.150 9.780 -7.011 1.00 0.00 C ATOM 157 C GLU A 11 4.328 10.919 -7.991 1.00 0.00 C ATOM 158 O GLU A 11 5.200 11.740 -7.747 1.00 0.00 O ATOM 159 CB GLU A 11 2.706 9.780 -6.437 1.00 0.00 C ATOM 160 CG GLU A 11 2.524 8.790 -5.256 1.00 0.00 C ATOM 161 CD GLU A 11 3.279 9.225 -4.026 1.00 0.00 C ATOM 162 OE1 GLU A 11 3.168 10.421 -3.644 1.00 0.00 O ATOM 163 OE2 GLU A 11 3.991 8.374 -3.429 1.00 0.00 O ATOM 0 H GLU A 11 5.190 10.930 -5.596 1.00 0.00 H new ATOM 0 HA GLU A 11 4.294 8.813 -7.494 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.454 10.786 -6.103 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.005 9.523 -7.231 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.464 8.703 -5.018 1.00 0.00 H new ATOM 0 HG3 GLU A 11 2.865 7.800 -5.558 1.00 0.00 H new ATOM 170 N LYS A 12 3.535 11.015 -9.085 1.00 0.00 N ATOM 171 CA LYS A 12 3.685 12.155 -9.992 1.00 0.00 C ATOM 172 C LYS A 12 2.349 12.464 -10.634 1.00 0.00 C ATOM 173 O LYS A 12 1.998 11.729 -11.542 1.00 0.00 O ATOM 174 CB LYS A 12 4.782 11.813 -11.038 1.00 0.00 C ATOM 175 CG LYS A 12 5.025 12.939 -12.086 1.00 0.00 C ATOM 176 CD LYS A 12 5.379 14.310 -11.441 1.00 0.00 C ATOM 177 CE LYS A 12 5.972 15.329 -12.456 1.00 0.00 C ATOM 178 NZ LYS A 12 5.057 15.638 -13.578 1.00 0.00 N ATOM 0 H LYS A 12 2.815 10.341 -9.346 1.00 0.00 H new ATOM 0 HA LYS A 12 3.999 13.049 -9.454 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.717 11.607 -10.516 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.500 10.898 -11.560 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.834 12.638 -12.752 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.132 13.054 -12.701 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.482 14.735 -10.991 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.095 14.151 -10.635 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.218 16.253 -11.932 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.905 14.932 -12.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 5.396 15.169 -14.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.101 15.296 -13.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.030 16.666 -13.731 1.00 0.00 H new ATOM 192 N ASN A 13 1.630 13.521 -10.170 1.00 0.00 N ATOM 193 CA ASN A 13 0.345 13.951 -10.738 1.00 0.00 C ATOM 194 C ASN A 13 -0.775 13.671 -9.757 1.00 0.00 C ATOM 195 O ASN A 13 -1.671 12.922 -10.109 1.00 0.00 O ATOM 196 CB ASN A 13 -0.029 13.426 -12.156 1.00 0.00 C ATOM 197 CG ASN A 13 1.026 13.737 -13.190 1.00 0.00 C ATOM 198 OD1 ASN A 13 1.922 14.523 -12.924 1.00 0.00 O ATOM 199 ND2 ASN A 13 0.932 13.128 -14.392 1.00 0.00 N ATOM 0 H ASN A 13 1.937 14.096 -9.385 1.00 0.00 H new ATOM 0 HA ASN A 13 0.483 15.020 -10.900 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -0.181 12.348 -12.111 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.976 13.869 -12.465 1.00 0.00 H new ATOM 0 HD21 ASN A 13 1.625 13.319 -15.116 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.168 12.477 -14.576 1.00 0.00 H new ATOM 206 N TYR A 14 -0.765 14.274 -8.541 1.00 0.00 N ATOM 207 CA TYR A 14 -1.903 14.134 -7.626 1.00 0.00 C ATOM 208 C TYR A 14 -2.860 15.298 -7.740 1.00 0.00 C ATOM 209 O TYR A 14 -3.812 15.320 -6.980 1.00 0.00 O ATOM 210 CB TYR A 14 -1.481 13.934 -6.142 1.00 0.00 C ATOM 211 CG TYR A 14 -1.218 15.272 -5.431 1.00 0.00 C ATOM 212 CD1 TYR A 14 0.016 15.914 -5.582 1.00 0.00 C ATOM 213 CD2 TYR A 14 -2.205 15.866 -4.635 1.00 0.00 C ATOM 214 CE1 TYR A 14 0.207 17.202 -5.075 1.00 0.00 C ATOM 215 CE2 TYR A 14 -2.005 17.142 -4.109 1.00 0.00 C ATOM 216 CZ TYR A 14 -0.820 17.833 -4.364 1.00 0.00 C ATOM 217 OH TYR A 14 -0.679 19.142 -3.890 1.00 0.00 O ATOM 0 H TYR A 14 0.002 14.846 -8.187 1.00 0.00 H new ATOM 0 HA TYR A 14 -2.414 13.224 -7.940 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.264 13.390 -5.613 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.582 13.319 -6.101 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.824 15.412 -6.093 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -3.123 15.335 -4.428 1.00 0.00 H new ATOM 0 HE1 TYR A 14 1.147 17.710 -5.232 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -2.772 17.598 -3.501 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.497 19.410 -3.421 1.00 0.00 H new ATOM 227 N ASP A 15 -2.653 16.271 -8.657 1.00 0.00 N ATOM 228 CA ASP A 15 -3.653 17.316 -8.882 1.00 0.00 C ATOM 229 C ASP A 15 -4.489 16.970 -10.092 1.00 0.00 C ATOM 230 O ASP A 15 -5.705 17.003 -9.997 1.00 0.00 O ATOM 231 CB ASP A 15 -2.964 18.688 -9.110 1.00 0.00 C ATOM 232 CG ASP A 15 -3.999 19.749 -9.389 1.00 0.00 C ATOM 233 OD1 ASP A 15 -4.535 20.333 -8.410 1.00 0.00 O ATOM 234 OD2 ASP A 15 -4.289 20.003 -10.591 1.00 0.00 O ATOM 0 H ASP A 15 -1.818 16.347 -9.237 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.290 17.381 -8.000 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -2.380 18.961 -8.231 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.268 18.619 -9.946 1.00 0.00 H new ATOM 239 N GLU A 16 -3.863 16.641 -11.244 1.00 0.00 N ATOM 240 CA GLU A 16 -4.646 16.341 -12.440 1.00 0.00 C ATOM 241 C GLU A 16 -5.323 15.006 -12.251 1.00 0.00 C ATOM 242 O GLU A 16 -6.475 14.873 -12.633 1.00 0.00 O ATOM 243 CB GLU A 16 -3.763 16.300 -13.718 1.00 0.00 C ATOM 244 CG GLU A 16 -3.186 17.699 -14.067 1.00 0.00 C ATOM 245 CD GLU A 16 -4.287 18.646 -14.475 1.00 0.00 C ATOM 246 OE1 GLU A 16 -4.765 18.537 -15.637 1.00 0.00 O ATOM 247 OE2 GLU A 16 -4.688 19.503 -13.641 1.00 0.00 O ATOM 0 H GLU A 16 -2.851 16.580 -11.360 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.382 17.133 -12.577 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.944 15.596 -13.571 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.354 15.931 -14.556 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.653 18.103 -13.206 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.461 17.607 -14.876 1.00 0.00 H new ATOM 254 N PHE A 17 -4.627 14.006 -11.664 1.00 0.00 N ATOM 255 CA PHE A 17 -5.272 12.709 -11.475 1.00 0.00 C ATOM 256 C PHE A 17 -6.422 12.926 -10.531 1.00 0.00 C ATOM 257 O PHE A 17 -7.523 12.510 -10.849 1.00 0.00 O ATOM 258 CB PHE A 17 -4.300 11.651 -10.881 1.00 0.00 C ATOM 259 CG PHE A 17 -4.822 10.212 -10.701 1.00 0.00 C ATOM 260 CD1 PHE A 17 -5.931 9.694 -11.384 1.00 0.00 C ATOM 261 CD2 PHE A 17 -4.136 9.369 -9.817 1.00 0.00 C ATOM 262 CE1 PHE A 17 -6.236 8.331 -11.311 1.00 0.00 C ATOM 263 CE2 PHE A 17 -4.419 8.001 -9.763 1.00 0.00 C ATOM 264 CZ PHE A 17 -5.446 7.470 -10.547 1.00 0.00 C ATOM 0 H PHE A 17 -3.665 14.074 -11.331 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.603 12.324 -12.440 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.419 11.609 -11.522 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.969 12.011 -9.907 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.555 10.352 -11.971 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.378 9.782 -9.168 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.088 7.942 -11.849 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.844 7.355 -9.116 1.00 0.00 H new ATOM 0 HZ PHE A 17 -5.627 6.405 -10.562 1.00 0.00 H new ATOM 274 N MET A 18 -6.185 13.585 -9.375 1.00 0.00 N ATOM 275 CA MET A 18 -7.247 13.715 -8.383 1.00 0.00 C ATOM 276 C MET A 18 -8.396 14.548 -8.894 1.00 0.00 C ATOM 277 O MET A 18 -9.522 14.247 -8.533 1.00 0.00 O ATOM 278 CB MET A 18 -6.745 14.368 -7.073 1.00 0.00 C ATOM 279 CG MET A 18 -5.791 13.446 -6.268 1.00 0.00 C ATOM 280 SD MET A 18 -6.673 11.991 -5.619 1.00 0.00 S ATOM 281 CE MET A 18 -5.303 11.246 -4.682 1.00 0.00 C ATOM 0 H MET A 18 -5.297 14.017 -9.121 1.00 0.00 H new ATOM 0 HA MET A 18 -7.581 12.697 -8.185 1.00 0.00 H new ATOM 0 HB2 MET A 18 -6.229 15.298 -7.311 1.00 0.00 H new ATOM 0 HB3 MET A 18 -7.601 14.629 -6.451 1.00 0.00 H new ATOM 0 HG2 MET A 18 -4.970 13.121 -6.907 1.00 0.00 H new ATOM 0 HG3 MET A 18 -5.351 14.006 -5.443 1.00 0.00 H new ATOM 0 HE1 MET A 18 -5.646 10.329 -4.203 1.00 0.00 H new ATOM 0 HE2 MET A 18 -4.481 11.015 -5.360 1.00 0.00 H new ATOM 0 HE3 MET A 18 -4.959 11.947 -3.921 1.00 0.00 H new ATOM 291 N LYS A 19 -8.151 15.592 -9.716 1.00 0.00 N ATOM 292 CA LYS A 19 -9.271 16.371 -10.242 1.00 0.00 C ATOM 293 C LYS A 19 -10.209 15.386 -10.903 1.00 0.00 C ATOM 294 O LYS A 19 -11.387 15.370 -10.581 1.00 0.00 O ATOM 295 CB LYS A 19 -8.779 17.472 -11.227 1.00 0.00 C ATOM 296 CG LYS A 19 -9.863 18.490 -11.694 1.00 0.00 C ATOM 297 CD LYS A 19 -10.967 17.885 -12.606 1.00 0.00 C ATOM 298 CE LYS A 19 -11.757 18.966 -13.400 1.00 0.00 C ATOM 299 NZ LYS A 19 -12.453 19.941 -12.529 1.00 0.00 N ATOM 0 H LYS A 19 -7.225 15.898 -10.015 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.789 16.906 -9.446 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.968 18.024 -10.751 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.359 16.986 -12.108 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -10.336 18.927 -10.814 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -9.373 19.303 -12.229 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -10.509 17.188 -13.308 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.662 17.311 -11.994 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -11.069 19.501 -14.055 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.489 18.474 -14.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -12.959 20.633 -13.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -13.132 19.440 -11.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -11.757 20.435 -11.936 1.00 0.00 H new ATOM 313 N ARG A 20 -9.692 14.533 -11.817 1.00 0.00 N ATOM 314 CA ARG A 20 -10.572 13.603 -12.519 1.00 0.00 C ATOM 315 C ARG A 20 -11.018 12.480 -11.609 1.00 0.00 C ATOM 316 O ARG A 20 -12.143 12.022 -11.746 1.00 0.00 O ATOM 317 CB ARG A 20 -9.878 12.992 -13.767 1.00 0.00 C ATOM 318 CG ARG A 20 -9.457 14.092 -14.782 1.00 0.00 C ATOM 319 CD ARG A 20 -9.016 13.485 -16.141 1.00 0.00 C ATOM 320 NE ARG A 20 -8.606 14.532 -17.082 1.00 0.00 N ATOM 321 CZ ARG A 20 -8.305 14.301 -18.344 1.00 0.00 C ATOM 322 NH1 ARG A 20 -8.317 13.099 -18.870 1.00 0.00 N ATOM 323 NH2 ARG A 20 -7.977 15.316 -19.110 1.00 0.00 N ATOM 0 H ARG A 20 -8.706 14.477 -12.071 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.441 14.177 -12.840 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.999 12.427 -13.456 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -10.554 12.288 -14.252 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.290 14.776 -14.943 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.639 14.679 -14.364 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.190 12.792 -15.982 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.837 12.909 -16.569 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.551 15.492 -16.741 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.567 12.294 -18.296 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.076 12.970 -19.853 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.959 16.260 -18.725 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.740 15.160 -20.090 1.00 0.00 H new ATOM 337 N LEU A 21 -10.149 12.010 -10.685 1.00 0.00 N ATOM 338 CA LEU A 21 -10.499 10.861 -9.848 1.00 0.00 C ATOM 339 C LEU A 21 -11.710 11.263 -9.022 1.00 0.00 C ATOM 340 O LEU A 21 -12.640 10.478 -8.940 1.00 0.00 O ATOM 341 CB LEU A 21 -9.289 10.367 -8.991 1.00 0.00 C ATOM 342 CG LEU A 21 -9.181 8.824 -8.813 1.00 0.00 C ATOM 343 CD1 LEU A 21 -7.936 8.469 -7.952 1.00 0.00 C ATOM 344 CD2 LEU A 21 -10.463 8.224 -8.184 1.00 0.00 C ATOM 0 H LEU A 21 -9.224 12.403 -10.509 1.00 0.00 H new ATOM 0 HA LEU A 21 -10.754 9.997 -10.461 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.369 10.728 -9.451 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -9.353 10.826 -8.004 1.00 0.00 H new ATOM 0 HG LEU A 21 -9.068 8.384 -9.804 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.871 7.387 -7.835 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.036 8.835 -8.446 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.027 8.936 -6.971 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -10.346 7.146 -8.077 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -10.630 8.670 -7.203 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -11.317 8.434 -8.828 1.00 0.00 H new ATOM 356 N ALA A 22 -11.707 12.494 -8.451 1.00 0.00 N ATOM 357 CA ALA A 22 -12.895 13.102 -7.831 1.00 0.00 C ATOM 358 C ALA A 22 -12.873 12.973 -6.322 1.00 0.00 C ATOM 359 O ALA A 22 -13.709 12.267 -5.780 1.00 0.00 O ATOM 360 CB ALA A 22 -14.263 12.669 -8.432 1.00 0.00 C ATOM 0 H ALA A 22 -10.878 13.087 -8.411 1.00 0.00 H new ATOM 0 HA ALA A 22 -12.817 14.158 -8.088 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -15.070 13.176 -7.902 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.298 12.937 -9.488 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.381 11.590 -8.327 1.00 0.00 H new ATOM 366 N LEU A 23 -11.929 13.664 -5.634 1.00 0.00 N ATOM 367 CA LEU A 23 -11.872 13.653 -4.165 1.00 0.00 C ATOM 368 C LEU A 23 -12.133 15.057 -3.653 1.00 0.00 C ATOM 369 O LEU A 23 -11.850 15.973 -4.408 1.00 0.00 O ATOM 370 CB LEU A 23 -10.456 13.215 -3.691 1.00 0.00 C ATOM 371 CG LEU A 23 -10.167 11.684 -3.702 1.00 0.00 C ATOM 372 CD1 LEU A 23 -11.011 10.904 -2.653 1.00 0.00 C ATOM 373 CD2 LEU A 23 -10.321 11.070 -5.116 1.00 0.00 C ATOM 0 H LEU A 23 -11.205 14.230 -6.077 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.619 12.957 -3.783 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.716 13.707 -4.323 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.305 13.584 -2.677 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.122 11.577 -3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.768 9.843 -2.707 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -10.786 11.278 -1.654 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -12.071 11.044 -2.862 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.110 10.002 -5.074 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -11.340 11.225 -5.471 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.622 11.551 -5.800 1.00 0.00 H new ATOM 385 N PRO A 24 -12.647 15.311 -2.417 1.00 0.00 N ATOM 386 CA PRO A 24 -12.851 16.686 -1.980 1.00 0.00 C ATOM 387 C PRO A 24 -11.533 17.356 -1.669 1.00 0.00 C ATOM 388 O PRO A 24 -10.536 16.670 -1.515 1.00 0.00 O ATOM 389 CB PRO A 24 -13.720 16.468 -0.717 1.00 0.00 C ATOM 390 CG PRO A 24 -13.252 15.088 -0.202 1.00 0.00 C ATOM 391 CD PRO A 24 -13.055 14.259 -1.494 1.00 0.00 C ATOM 0 HA PRO A 24 -13.313 17.342 -2.718 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -13.558 17.251 0.024 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -14.784 16.470 -0.955 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -12.326 15.167 0.368 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -13.993 14.634 0.455 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -12.294 13.487 -1.381 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -13.970 13.760 -1.811 1.00 0.00 H new ATOM 399 N SER A 25 -11.515 18.705 -1.596 1.00 0.00 N ATOM 400 CA SER A 25 -10.249 19.434 -1.577 1.00 0.00 C ATOM 401 C SER A 25 -9.365 19.055 -0.415 1.00 0.00 C ATOM 402 O SER A 25 -8.179 18.865 -0.630 1.00 0.00 O ATOM 403 CB SER A 25 -10.488 20.965 -1.544 1.00 0.00 C ATOM 404 OG SER A 25 -11.305 21.319 -2.672 1.00 0.00 O ATOM 0 H SER A 25 -12.348 19.291 -1.551 1.00 0.00 H new ATOM 0 HA SER A 25 -9.736 19.153 -2.497 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.979 21.253 -0.614 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.538 21.498 -1.581 1.00 0.00 H new ATOM 0 HG SER A 25 -11.469 22.285 -2.667 1.00 0.00 H new ATOM 410 N ASP A 26 -9.898 18.947 0.822 1.00 0.00 N ATOM 411 CA ASP A 26 -9.027 18.607 1.949 1.00 0.00 C ATOM 412 C ASP A 26 -8.341 17.288 1.679 1.00 0.00 C ATOM 413 O ASP A 26 -7.147 17.176 1.912 1.00 0.00 O ATOM 414 CB ASP A 26 -9.811 18.494 3.284 1.00 0.00 C ATOM 415 CG ASP A 26 -8.899 18.117 4.426 1.00 0.00 C ATOM 416 OD1 ASP A 26 -7.789 18.706 4.527 1.00 0.00 O ATOM 417 OD2 ASP A 26 -9.283 17.227 5.233 1.00 0.00 O ATOM 0 H ASP A 26 -10.882 19.085 1.052 1.00 0.00 H new ATOM 0 HA ASP A 26 -8.299 19.412 2.049 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -10.298 19.444 3.503 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -10.599 17.747 3.183 1.00 0.00 H new ATOM 422 N ALA A 27 -9.089 16.277 1.181 1.00 0.00 N ATOM 423 CA ALA A 27 -8.466 14.984 0.904 1.00 0.00 C ATOM 424 C ALA A 27 -7.389 15.138 -0.147 1.00 0.00 C ATOM 425 O ALA A 27 -6.352 14.504 -0.028 1.00 0.00 O ATOM 426 CB ALA A 27 -9.504 13.939 0.429 1.00 0.00 C ATOM 0 H ALA A 27 -10.086 16.335 0.973 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.025 14.627 1.835 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.003 12.991 0.233 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -10.258 13.797 1.203 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.983 14.291 -0.484 1.00 0.00 H new ATOM 432 N ILE A 28 -7.615 15.977 -1.182 1.00 0.00 N ATOM 433 CA ILE A 28 -6.592 16.164 -2.211 1.00 0.00 C ATOM 434 C ILE A 28 -5.375 16.767 -1.557 1.00 0.00 C ATOM 435 O ILE A 28 -4.279 16.256 -1.727 1.00 0.00 O ATOM 436 CB ILE A 28 -7.079 17.068 -3.391 1.00 0.00 C ATOM 437 CG1 ILE A 28 -8.265 16.373 -4.124 1.00 0.00 C ATOM 438 CG2 ILE A 28 -5.915 17.402 -4.368 1.00 0.00 C ATOM 439 CD1 ILE A 28 -8.788 17.125 -5.376 1.00 0.00 C ATOM 0 H ILE A 28 -8.470 16.516 -1.318 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.360 15.193 -2.648 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.429 18.018 -2.987 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.952 15.372 -4.423 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.088 16.253 -3.420 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -6.288 18.031 -5.176 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.128 17.931 -3.830 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.512 16.478 -4.784 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -9.612 16.566 -5.818 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -9.137 18.116 -5.086 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -7.983 17.222 -6.105 1.00 0.00 H new ATOM 451 N ASP A 29 -5.564 17.875 -0.811 1.00 0.00 N ATOM 452 CA ASP A 29 -4.417 18.591 -0.268 1.00 0.00 C ATOM 453 C ASP A 29 -3.569 17.691 0.589 1.00 0.00 C ATOM 454 O ASP A 29 -2.364 17.728 0.419 1.00 0.00 O ATOM 455 CB ASP A 29 -4.847 19.819 0.576 1.00 0.00 C ATOM 456 CG ASP A 29 -3.655 20.519 1.178 1.00 0.00 C ATOM 457 OD1 ASP A 29 -2.650 20.728 0.446 1.00 0.00 O ATOM 458 OD2 ASP A 29 -3.709 20.866 2.390 1.00 0.00 O ATOM 0 H ASP A 29 -6.474 18.275 -0.582 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.838 18.935 -1.125 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.402 20.517 -0.051 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -5.521 19.498 1.370 1.00 0.00 H new ATOM 463 N LYS A 30 -4.144 16.889 1.510 1.00 0.00 N ATOM 464 CA LYS A 30 -3.294 16.057 2.366 1.00 0.00 C ATOM 465 C LYS A 30 -2.685 14.920 1.576 1.00 0.00 C ATOM 466 O LYS A 30 -1.576 14.520 1.893 1.00 0.00 O ATOM 467 CB LYS A 30 -4.039 15.539 3.628 1.00 0.00 C ATOM 468 CG LYS A 30 -5.065 14.414 3.322 1.00 0.00 C ATOM 469 CD LYS A 30 -5.873 13.954 4.571 1.00 0.00 C ATOM 470 CE LYS A 30 -6.853 15.033 5.115 1.00 0.00 C ATOM 471 NZ LYS A 30 -7.694 14.496 6.211 1.00 0.00 N ATOM 0 H LYS A 30 -5.148 16.805 1.672 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.486 16.693 2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.307 15.168 4.346 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -4.556 16.373 4.103 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.760 14.764 2.559 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.538 13.556 2.904 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.439 13.058 4.317 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.176 13.677 5.362 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.287 15.892 5.476 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.491 15.389 4.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.336 15.240 6.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.251 13.692 5.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.085 14.179 6.993 1.00 0.00 H new ATOM 485 N ALA A 31 -3.383 14.382 0.548 1.00 0.00 N ATOM 486 CA ALA A 31 -2.826 13.260 -0.207 1.00 0.00 C ATOM 487 C ALA A 31 -1.484 13.587 -0.824 1.00 0.00 C ATOM 488 O ALA A 31 -0.702 12.659 -0.960 1.00 0.00 O ATOM 489 CB ALA A 31 -3.782 12.781 -1.329 1.00 0.00 C ATOM 0 H ALA A 31 -4.301 14.701 0.238 1.00 0.00 H new ATOM 0 HA ALA A 31 -2.695 12.461 0.523 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.327 11.947 -1.863 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.726 12.459 -0.890 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.966 13.600 -2.024 1.00 0.00 H new ATOM 495 N ARG A 32 -1.210 14.863 -1.197 1.00 0.00 N ATOM 496 CA ARG A 32 0.076 15.235 -1.806 1.00 0.00 C ATOM 497 C ARG A 32 1.234 14.299 -1.517 1.00 0.00 C ATOM 498 O ARG A 32 1.890 13.877 -2.456 1.00 0.00 O ATOM 499 CB ARG A 32 0.441 16.711 -1.472 1.00 0.00 C ATOM 500 CG ARG A 32 0.509 17.022 0.048 1.00 0.00 C ATOM 501 CD ARG A 32 0.455 18.553 0.331 1.00 0.00 C ATOM 502 NE ARG A 32 0.101 18.817 1.727 1.00 0.00 N ATOM 503 CZ ARG A 32 -0.129 20.021 2.206 1.00 0.00 C ATOM 504 NH1 ARG A 32 -0.006 21.113 1.485 1.00 0.00 N ATOM 505 NH2 ARG A 32 -0.497 20.144 3.461 1.00 0.00 N ATOM 0 H ARG A 32 -1.861 15.640 -1.085 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.086 15.133 -2.879 1.00 0.00 H new ATOM 0 HB2 ARG A 32 1.405 16.946 -1.923 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.295 17.369 -1.933 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -0.320 16.529 0.557 1.00 0.00 H new ATOM 0 HG3 ARG A 32 1.428 16.608 0.462 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.422 19.002 0.106 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.275 19.023 -0.328 1.00 0.00 H new ATOM 0 HE ARG A 32 0.029 18.023 2.364 1.00 0.00 H new ATOM 0 HH11 ARG A 32 0.279 21.049 0.508 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.196 22.024 1.903 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -0.600 19.315 4.046 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -0.680 21.069 3.851 1.00 0.00 H new ATOM 519 N ASN A 33 1.491 13.930 -0.241 1.00 0.00 N ATOM 520 CA ASN A 33 2.459 12.880 0.049 1.00 0.00 C ATOM 521 C ASN A 33 2.163 12.249 1.391 1.00 0.00 C ATOM 522 O ASN A 33 3.059 12.072 2.201 1.00 0.00 O ATOM 523 CB ASN A 33 3.938 13.321 -0.090 1.00 0.00 C ATOM 524 CG ASN A 33 4.179 14.519 0.793 1.00 0.00 C ATOM 525 OD1 ASN A 33 4.684 14.366 1.894 1.00 0.00 O ATOM 526 ND2 ASN A 33 3.808 15.728 0.326 1.00 0.00 N ATOM 0 H ASN A 33 1.046 14.341 0.579 1.00 0.00 H new ATOM 0 HA ASN A 33 2.337 12.121 -0.724 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.602 12.505 0.194 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.161 13.568 -1.128 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.946 16.560 0.899 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.389 15.810 -0.601 1.00 0.00 H new ATOM 533 N LEU A 34 0.881 11.880 1.618 1.00 0.00 N ATOM 534 CA LEU A 34 0.546 11.082 2.792 1.00 0.00 C ATOM 535 C LEU A 34 1.259 9.785 2.502 1.00 0.00 C ATOM 536 O LEU A 34 0.883 9.111 1.556 1.00 0.00 O ATOM 537 CB LEU A 34 -0.995 10.945 2.945 1.00 0.00 C ATOM 538 CG LEU A 34 -1.497 10.555 4.368 1.00 0.00 C ATOM 539 CD1 LEU A 34 -0.654 9.435 5.036 1.00 0.00 C ATOM 540 CD2 LEU A 34 -1.591 11.781 5.321 1.00 0.00 C ATOM 0 H LEU A 34 0.092 12.119 1.017 1.00 0.00 H new ATOM 0 HA LEU A 34 0.853 11.508 3.747 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.456 11.892 2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.348 10.195 2.237 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.500 10.160 4.206 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.060 9.214 6.023 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.689 8.537 4.420 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.380 9.767 5.134 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.945 11.455 6.299 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.607 12.237 5.425 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.287 12.511 4.907 1.00 0.00 H new ATOM 552 N LYS A 35 2.325 9.456 3.265 1.00 0.00 N ATOM 553 CA LYS A 35 3.228 8.403 2.838 1.00 0.00 C ATOM 554 C LYS A 35 2.530 7.100 3.061 1.00 0.00 C ATOM 555 O LYS A 35 1.541 7.062 3.775 1.00 0.00 O ATOM 556 CB LYS A 35 4.639 8.479 3.492 1.00 0.00 C ATOM 557 CG LYS A 35 4.712 8.153 5.014 1.00 0.00 C ATOM 558 CD LYS A 35 4.638 6.637 5.357 1.00 0.00 C ATOM 559 CE LYS A 35 5.023 6.390 6.844 1.00 0.00 C ATOM 560 NZ LYS A 35 4.977 4.952 7.188 1.00 0.00 N ATOM 0 H LYS A 35 2.564 9.899 4.152 1.00 0.00 H new ATOM 0 HA LYS A 35 3.453 8.522 1.778 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.299 7.792 2.963 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.034 9.483 3.338 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.642 8.558 5.414 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.896 8.667 5.522 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.630 6.266 5.171 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.309 6.078 4.705 1.00 0.00 H new ATOM 0 HE2 LYS A 35 6.025 6.777 7.030 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.343 6.942 7.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.239 4.825 8.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.015 4.589 7.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.645 4.429 6.586 1.00 0.00 H new ATOM 574 N ILE A 36 3.045 6.034 2.422 1.00 0.00 N ATOM 575 CA ILE A 36 2.350 4.760 2.450 1.00 0.00 C ATOM 576 C ILE A 36 3.355 3.630 2.511 1.00 0.00 C ATOM 577 O ILE A 36 4.342 3.731 1.798 1.00 0.00 O ATOM 578 CB ILE A 36 1.507 4.654 1.145 1.00 0.00 C ATOM 579 CG1 ILE A 36 0.904 6.004 0.654 1.00 0.00 C ATOM 580 CG2 ILE A 36 0.391 3.605 1.342 1.00 0.00 C ATOM 581 CD1 ILE A 36 0.082 5.835 -0.652 1.00 0.00 C ATOM 0 H ILE A 36 3.919 6.039 1.896 1.00 0.00 H new ATOM 0 HA ILE A 36 1.705 4.692 3.326 1.00 0.00 H new ATOM 0 HB ILE A 36 2.195 4.345 0.358 1.00 0.00 H new ATOM 0 HG12 ILE A 36 0.265 6.420 1.433 1.00 0.00 H new ATOM 0 HG13 ILE A 36 1.708 6.720 0.486 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.201 3.528 0.430 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.838 2.637 1.567 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.252 3.909 2.168 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.319 6.801 -0.957 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.727 5.445 -1.440 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.739 5.140 -0.478 1.00 0.00 H new ATOM 593 N ILE A 37 3.129 2.558 3.312 1.00 0.00 N ATOM 594 CA ILE A 37 3.969 1.363 3.205 1.00 0.00 C ATOM 595 C ILE A 37 3.200 0.405 2.331 1.00 0.00 C ATOM 596 O ILE A 37 1.990 0.343 2.478 1.00 0.00 O ATOM 597 CB ILE A 37 4.299 0.685 4.569 1.00 0.00 C ATOM 598 CG1 ILE A 37 4.952 1.739 5.509 1.00 0.00 C ATOM 599 CG2 ILE A 37 5.208 -0.564 4.368 1.00 0.00 C ATOM 600 CD1 ILE A 37 5.497 1.150 6.837 1.00 0.00 C ATOM 0 H ILE A 37 2.392 2.506 4.016 1.00 0.00 H new ATOM 0 HA ILE A 37 4.939 1.646 2.795 1.00 0.00 H new ATOM 0 HB ILE A 37 3.381 0.325 5.033 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.769 2.227 4.978 1.00 0.00 H new ATOM 0 HG13 ILE A 37 4.216 2.509 5.740 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.423 -1.017 5.336 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.697 -1.288 3.734 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.142 -0.262 3.894 1.00 0.00 H new ATOM 0 HD11 ILE A 37 5.936 1.948 7.436 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.681 0.687 7.392 1.00 0.00 H new ATOM 0 HD13 ILE A 37 6.258 0.401 6.618 1.00 0.00 H new ATOM 612 N SER A 38 3.885 -0.340 1.432 1.00 0.00 N ATOM 613 CA SER A 38 3.208 -1.313 0.584 1.00 0.00 C ATOM 614 C SER A 38 3.786 -2.688 0.803 1.00 0.00 C ATOM 615 O SER A 38 4.868 -2.804 1.354 1.00 0.00 O ATOM 616 CB SER A 38 3.291 -0.848 -0.889 1.00 0.00 C ATOM 617 OG SER A 38 2.766 -1.877 -1.745 1.00 0.00 O ATOM 0 H SER A 38 4.893 -0.278 1.286 1.00 0.00 H new ATOM 0 HA SER A 38 2.152 -1.379 0.848 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.727 0.075 -1.023 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.325 -0.631 -1.156 1.00 0.00 H new ATOM 0 HG SER A 38 2.816 -1.583 -2.679 1.00 0.00 H new ATOM 623 N GLU A 39 3.054 -3.750 0.399 1.00 0.00 N ATOM 624 CA GLU A 39 3.523 -5.108 0.664 1.00 0.00 C ATOM 625 C GLU A 39 2.778 -6.074 -0.224 1.00 0.00 C ATOM 626 O GLU A 39 1.647 -5.771 -0.568 1.00 0.00 O ATOM 627 CB GLU A 39 3.314 -5.447 2.166 1.00 0.00 C ATOM 628 CG GLU A 39 3.601 -6.932 2.515 1.00 0.00 C ATOM 629 CD GLU A 39 3.358 -7.175 3.984 1.00 0.00 C ATOM 630 OE1 GLU A 39 4.162 -6.671 4.813 1.00 0.00 O ATOM 631 OE2 GLU A 39 2.360 -7.869 4.323 1.00 0.00 O ATOM 0 H GLU A 39 2.164 -3.688 -0.096 1.00 0.00 H new ATOM 0 HA GLU A 39 4.587 -5.188 0.443 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.962 -4.810 2.767 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.287 -5.209 2.444 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.961 -7.584 1.920 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.632 -7.180 2.263 1.00 0.00 H new ATOM 638 N VAL A 40 3.399 -7.219 -0.601 1.00 0.00 N ATOM 639 CA VAL A 40 2.722 -8.179 -1.470 1.00 0.00 C ATOM 640 C VAL A 40 3.054 -9.588 -1.032 1.00 0.00 C ATOM 641 O VAL A 40 4.151 -9.798 -0.540 1.00 0.00 O ATOM 642 CB VAL A 40 3.155 -7.980 -2.953 1.00 0.00 C ATOM 643 CG1 VAL A 40 2.293 -8.847 -3.917 1.00 0.00 C ATOM 644 CG2 VAL A 40 3.076 -6.481 -3.351 1.00 0.00 C ATOM 0 H VAL A 40 4.343 -7.485 -0.319 1.00 0.00 H new ATOM 0 HA VAL A 40 1.647 -8.015 -1.394 1.00 0.00 H new ATOM 0 HB VAL A 40 4.190 -8.309 -3.043 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.621 -8.685 -4.944 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.409 -9.900 -3.661 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.245 -8.564 -3.822 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.383 -6.364 -4.390 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.052 -6.127 -3.232 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.738 -5.899 -2.710 1.00 0.00 H new ATOM 654 N LYS A 41 2.121 -10.553 -1.219 1.00 0.00 N ATOM 655 CA LYS A 41 2.401 -11.957 -0.916 1.00 0.00 C ATOM 656 C LYS A 41 1.834 -12.782 -2.048 1.00 0.00 C ATOM 657 O LYS A 41 0.874 -12.325 -2.647 1.00 0.00 O ATOM 658 CB LYS A 41 1.753 -12.320 0.448 1.00 0.00 C ATOM 659 CG LYS A 41 1.911 -13.820 0.822 1.00 0.00 C ATOM 660 CD LYS A 41 1.170 -14.153 2.147 1.00 0.00 C ATOM 661 CE LYS A 41 1.430 -15.617 2.595 1.00 0.00 C ATOM 662 NZ LYS A 41 0.646 -15.966 3.802 1.00 0.00 N ATOM 0 H LYS A 41 1.181 -10.377 -1.575 1.00 0.00 H new ATOM 0 HA LYS A 41 3.470 -12.152 -0.831 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.202 -11.708 1.230 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.693 -12.070 0.417 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.518 -14.441 0.017 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.969 -14.062 0.924 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.498 -13.469 2.930 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.099 -13.997 2.015 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.172 -16.298 1.784 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.492 -15.752 2.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.845 -16.950 4.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.911 -15.332 4.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.369 -15.861 3.599 1.00 0.00 H new ATOM 676 N GLN A 42 2.405 -13.973 -2.359 1.00 0.00 N ATOM 677 CA GLN A 42 1.874 -14.800 -3.444 1.00 0.00 C ATOM 678 C GLN A 42 1.709 -16.219 -2.961 1.00 0.00 C ATOM 679 O GLN A 42 2.536 -16.642 -2.170 1.00 0.00 O ATOM 680 CB GLN A 42 2.858 -14.803 -4.644 1.00 0.00 C ATOM 681 CG GLN A 42 2.256 -15.440 -5.924 1.00 0.00 C ATOM 682 CD GLN A 42 3.337 -15.572 -6.970 1.00 0.00 C ATOM 683 OE1 GLN A 42 3.505 -14.664 -7.769 1.00 0.00 O ATOM 684 NE2 GLN A 42 4.098 -16.690 -6.977 1.00 0.00 N ATOM 0 H GLN A 42 3.215 -14.366 -1.879 1.00 0.00 H new ATOM 0 HA GLN A 42 0.913 -14.391 -3.756 1.00 0.00 H new ATOM 0 HB2 GLN A 42 3.158 -13.778 -4.862 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.760 -15.347 -4.365 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.835 -16.419 -5.694 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.441 -14.823 -6.302 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.927 -17.427 -6.293 1.00 0.00 H new ATOM 0 HE22 GLN A 42 4.843 -16.796 -7.666 1.00 0.00 H new ATOM 693 N ASP A 43 0.677 -16.957 -3.438 1.00 0.00 N ATOM 694 CA ASP A 43 0.587 -18.390 -3.150 1.00 0.00 C ATOM 695 C ASP A 43 1.093 -19.094 -4.391 1.00 0.00 C ATOM 696 O ASP A 43 2.277 -18.940 -4.647 1.00 0.00 O ATOM 697 CB ASP A 43 -0.831 -18.744 -2.629 1.00 0.00 C ATOM 698 CG ASP A 43 -0.917 -20.199 -2.243 1.00 0.00 C ATOM 699 OD1 ASP A 43 -1.122 -21.048 -3.152 1.00 0.00 O ATOM 700 OD2 ASP A 43 -0.782 -20.506 -1.027 1.00 0.00 O ATOM 0 H ASP A 43 -0.082 -16.586 -4.009 1.00 0.00 H new ATOM 0 HA ASP A 43 1.213 -18.735 -2.327 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.072 -18.121 -1.768 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.571 -18.524 -3.399 1.00 0.00 H new ATOM 705 N GLY A 44 0.291 -19.844 -5.188 1.00 0.00 N ATOM 706 CA GLY A 44 0.827 -20.437 -6.412 1.00 0.00 C ATOM 707 C GLY A 44 0.839 -19.355 -7.464 1.00 0.00 C ATOM 708 O GLY A 44 1.875 -18.737 -7.653 1.00 0.00 O ATOM 0 H GLY A 44 -0.693 -20.041 -5.004 1.00 0.00 H new ATOM 0 HA2 GLY A 44 1.833 -20.822 -6.245 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.213 -21.279 -6.733 1.00 0.00 H new ATOM 712 N GLN A 45 -0.317 -19.104 -8.124 1.00 0.00 N ATOM 713 CA GLN A 45 -0.444 -17.972 -9.044 1.00 0.00 C ATOM 714 C GLN A 45 -1.489 -17.015 -8.513 1.00 0.00 C ATOM 715 O GLN A 45 -2.107 -16.323 -9.309 1.00 0.00 O ATOM 716 CB GLN A 45 -0.791 -18.456 -10.483 1.00 0.00 C ATOM 717 CG GLN A 45 -2.139 -19.229 -10.559 1.00 0.00 C ATOM 718 CD GLN A 45 -2.564 -19.422 -11.996 1.00 0.00 C ATOM 719 OE1 GLN A 45 -3.511 -18.783 -12.426 1.00 0.00 O ATOM 720 NE2 GLN A 45 -1.877 -20.297 -12.765 1.00 0.00 N ATOM 0 H GLN A 45 -1.161 -19.669 -8.031 1.00 0.00 H new ATOM 0 HA GLN A 45 0.511 -17.450 -9.108 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.835 -17.594 -11.149 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.011 -19.099 -10.847 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.036 -20.199 -10.072 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -2.910 -18.680 -10.017 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.091 -20.814 -12.371 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -2.145 -20.440 -13.739 1.00 0.00 H new ATOM 729 N ASN A 46 -1.696 -16.970 -7.173 1.00 0.00 N ATOM 730 CA ASN A 46 -2.730 -16.117 -6.593 1.00 0.00 C ATOM 731 C ASN A 46 -2.007 -15.031 -5.840 1.00 0.00 C ATOM 732 O ASN A 46 -1.321 -15.356 -4.885 1.00 0.00 O ATOM 733 CB ASN A 46 -3.648 -16.910 -5.626 1.00 0.00 C ATOM 734 CG ASN A 46 -4.370 -15.994 -4.665 1.00 0.00 C ATOM 735 OD1 ASN A 46 -4.176 -16.120 -3.465 1.00 0.00 O ATOM 736 ND2 ASN A 46 -5.207 -15.054 -5.157 1.00 0.00 N ATOM 0 H ASN A 46 -1.162 -17.511 -6.493 1.00 0.00 H new ATOM 0 HA ASN A 46 -3.373 -15.714 -7.376 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.377 -17.481 -6.202 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -3.051 -17.629 -5.065 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -5.698 -14.425 -4.521 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -5.348 -14.974 -6.164 1.00 0.00 H new ATOM 743 N PHE A 47 -2.136 -13.753 -6.264 1.00 0.00 N ATOM 744 CA PHE A 47 -1.371 -12.685 -5.635 1.00 0.00 C ATOM 745 C PHE A 47 -2.237 -12.090 -4.551 1.00 0.00 C ATOM 746 O PHE A 47 -3.450 -12.190 -4.646 1.00 0.00 O ATOM 747 CB PHE A 47 -0.975 -11.568 -6.642 1.00 0.00 C ATOM 748 CG PHE A 47 0.040 -11.975 -7.731 1.00 0.00 C ATOM 749 CD1 PHE A 47 0.208 -13.295 -8.172 1.00 0.00 C ATOM 750 CD2 PHE A 47 0.834 -10.977 -8.312 1.00 0.00 C ATOM 751 CE1 PHE A 47 1.194 -13.625 -9.102 1.00 0.00 C ATOM 752 CE2 PHE A 47 1.781 -11.292 -9.293 1.00 0.00 C ATOM 753 CZ PHE A 47 1.975 -12.621 -9.676 1.00 0.00 C ATOM 0 H PHE A 47 -2.750 -13.454 -7.021 1.00 0.00 H new ATOM 0 HA PHE A 47 -0.445 -13.101 -5.239 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -1.880 -11.209 -7.132 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.561 -10.730 -6.082 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -0.437 -14.070 -7.785 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.713 -9.951 -7.998 1.00 0.00 H new ATOM 0 HE1 PHE A 47 1.353 -14.657 -9.378 1.00 0.00 H new ATOM 0 HE2 PHE A 47 2.362 -10.507 -9.754 1.00 0.00 H new ATOM 0 HZ PHE A 47 2.725 -12.870 -10.412 1.00 0.00 H new ATOM 763 N THR A 48 -1.608 -11.464 -3.530 1.00 0.00 N ATOM 764 CA THR A 48 -2.350 -10.833 -2.441 1.00 0.00 C ATOM 765 C THR A 48 -1.662 -9.508 -2.203 1.00 0.00 C ATOM 766 O THR A 48 -0.607 -9.512 -1.588 1.00 0.00 O ATOM 767 CB THR A 48 -2.291 -11.764 -1.201 1.00 0.00 C ATOM 768 OG1 THR A 48 -2.825 -13.062 -1.511 1.00 0.00 O ATOM 769 CG2 THR A 48 -3.015 -11.140 0.021 1.00 0.00 C ATOM 0 H THR A 48 -0.594 -11.388 -3.447 1.00 0.00 H new ATOM 0 HA THR A 48 -3.404 -10.669 -2.663 1.00 0.00 H new ATOM 0 HB THR A 48 -1.242 -11.883 -0.929 1.00 0.00 H new ATOM 0 HG1 THR A 48 -2.777 -13.634 -0.717 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.952 -11.822 0.869 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.541 -10.193 0.281 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.062 -10.965 -0.227 1.00 0.00 H new ATOM 777 N TRP A 49 -2.215 -8.381 -2.710 1.00 0.00 N ATOM 778 CA TRP A 49 -1.480 -7.116 -2.704 1.00 0.00 C ATOM 779 C TRP A 49 -2.009 -6.237 -1.601 1.00 0.00 C ATOM 780 O TRP A 49 -3.169 -6.392 -1.256 1.00 0.00 O ATOM 781 CB TRP A 49 -1.663 -6.469 -4.102 1.00 0.00 C ATOM 782 CG TRP A 49 -0.669 -5.384 -4.394 1.00 0.00 C ATOM 783 CD1 TRP A 49 -0.618 -4.134 -3.905 1.00 0.00 C ATOM 784 CD2 TRP A 49 0.486 -5.535 -5.344 1.00 0.00 C ATOM 785 NE1 TRP A 49 0.418 -3.516 -4.411 1.00 0.00 N ATOM 786 CE2 TRP A 49 1.109 -4.305 -5.259 1.00 0.00 C ATOM 787 CE3 TRP A 49 0.946 -6.560 -6.169 1.00 0.00 C ATOM 788 CZ2 TRP A 49 2.270 -4.030 -5.979 1.00 0.00 C ATOM 789 CZ3 TRP A 49 2.090 -6.283 -6.921 1.00 0.00 C ATOM 790 CH2 TRP A 49 2.757 -5.053 -6.804 1.00 0.00 C ATOM 0 H TRP A 49 -3.149 -8.331 -3.118 1.00 0.00 H new ATOM 0 HA TRP A 49 -0.417 -7.265 -2.515 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -1.579 -7.243 -4.865 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -2.670 -6.058 -4.174 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -1.321 -3.707 -3.205 1.00 0.00 H new ATOM 0 HE1 TRP A 49 0.673 -2.553 -4.191 1.00 0.00 H new ATOM 0 HE3 TRP A 49 0.446 -7.515 -6.224 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 2.770 -3.076 -5.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 2.468 -7.028 -7.605 1.00 0.00 H new ATOM 0 HH2 TRP A 49 3.667 -4.891 -7.363 1.00 0.00 H new ATOM 801 N SER A 50 -1.186 -5.325 -1.029 1.00 0.00 N ATOM 802 CA SER A 50 -1.668 -4.516 0.088 1.00 0.00 C ATOM 803 C SER A 50 -0.954 -3.184 0.188 1.00 0.00 C ATOM 804 O SER A 50 0.233 -3.204 0.473 1.00 0.00 O ATOM 805 CB SER A 50 -1.506 -5.332 1.393 1.00 0.00 C ATOM 806 OG SER A 50 -0.134 -5.726 1.553 1.00 0.00 O ATOM 0 H SER A 50 -0.224 -5.144 -1.317 1.00 0.00 H new ATOM 0 HA SER A 50 -2.719 -4.282 -0.080 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.825 -4.735 2.248 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.146 -6.214 1.363 1.00 0.00 H new ATOM 0 HG SER A 50 0.336 -5.629 0.698 1.00 0.00 H new ATOM 812 N GLN A 51 -1.653 -2.036 -0.019 1.00 0.00 N ATOM 813 CA GLN A 51 -1.061 -0.720 0.224 1.00 0.00 C ATOM 814 C GLN A 51 -1.792 -0.129 1.408 1.00 0.00 C ATOM 815 O GLN A 51 -3.000 -0.297 1.448 1.00 0.00 O ATOM 816 CB GLN A 51 -1.220 0.217 -1.001 1.00 0.00 C ATOM 817 CG GLN A 51 -0.535 -0.350 -2.268 1.00 0.00 C ATOM 818 CD GLN A 51 -0.787 0.553 -3.454 1.00 0.00 C ATOM 819 OE1 GLN A 51 0.102 1.295 -3.839 1.00 0.00 O ATOM 820 NE2 GLN A 51 -1.999 0.515 -4.050 1.00 0.00 N ATOM 0 H GLN A 51 -2.617 -2.009 -0.351 1.00 0.00 H new ATOM 0 HA GLN A 51 0.008 -0.824 0.411 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.280 0.371 -1.202 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -0.795 1.193 -0.767 1.00 0.00 H new ATOM 0 HG2 GLN A 51 0.537 -0.445 -2.097 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -0.915 -1.350 -2.477 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -2.719 -0.118 -3.702 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -2.194 1.119 -4.848 1.00 0.00 H new ATOM 829 N GLN A 52 -1.102 0.533 2.370 1.00 0.00 N ATOM 830 CA GLN A 52 -1.767 0.992 3.590 1.00 0.00 C ATOM 831 C GLN A 52 -1.358 2.407 3.959 1.00 0.00 C ATOM 832 O GLN A 52 -0.212 2.605 4.332 1.00 0.00 O ATOM 833 CB GLN A 52 -1.344 0.033 4.741 1.00 0.00 C ATOM 834 CG GLN A 52 -1.556 -1.462 4.378 1.00 0.00 C ATOM 835 CD GLN A 52 -1.278 -2.381 5.546 1.00 0.00 C ATOM 836 OE1 GLN A 52 -0.686 -1.952 6.525 1.00 0.00 O ATOM 837 NE2 GLN A 52 -1.693 -3.665 5.467 1.00 0.00 N ATOM 0 H GLN A 52 -0.107 0.752 2.317 1.00 0.00 H new ATOM 0 HA GLN A 52 -2.845 0.990 3.429 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.294 0.200 4.981 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.917 0.271 5.637 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.581 -1.609 4.039 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.904 -1.728 3.546 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.185 -3.992 4.635 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.514 -4.307 6.239 1.00 0.00 H new ATOM 846 N TYR A 53 -2.272 3.406 3.893 1.00 0.00 N ATOM 847 CA TYR A 53 -1.958 4.723 4.447 1.00 0.00 C ATOM 848 C TYR A 53 -1.921 4.525 5.949 1.00 0.00 C ATOM 849 O TYR A 53 -2.827 3.848 6.410 1.00 0.00 O ATOM 850 CB TYR A 53 -3.040 5.799 4.143 1.00 0.00 C ATOM 851 CG TYR A 53 -3.174 6.094 2.638 1.00 0.00 C ATOM 852 CD1 TYR A 53 -4.036 5.343 1.831 1.00 0.00 C ATOM 853 CD2 TYR A 53 -2.441 7.131 2.052 1.00 0.00 C ATOM 854 CE1 TYR A 53 -4.097 5.576 0.454 1.00 0.00 C ATOM 855 CE2 TYR A 53 -2.544 7.405 0.686 1.00 0.00 C ATOM 856 CZ TYR A 53 -3.344 6.603 -0.128 1.00 0.00 C ATOM 857 OH TYR A 53 -3.376 6.840 -1.506 1.00 0.00 O ATOM 0 H TYR A 53 -3.198 3.321 3.475 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.026 5.080 4.008 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.001 5.462 4.531 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.789 6.720 4.669 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.658 4.579 2.274 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.784 7.730 2.666 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.730 4.959 -0.166 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.004 8.238 0.260 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.789 7.595 -1.722 1.00 0.00 H new ATOM 867 N PRO A 54 -0.973 5.057 6.763 1.00 0.00 N ATOM 868 CA PRO A 54 -1.136 4.993 8.209 1.00 0.00 C ATOM 869 C PRO A 54 -2.520 5.405 8.652 1.00 0.00 C ATOM 870 O PRO A 54 -3.044 4.807 9.579 1.00 0.00 O ATOM 871 CB PRO A 54 -0.065 6.020 8.649 1.00 0.00 C ATOM 872 CG PRO A 54 1.027 5.869 7.567 1.00 0.00 C ATOM 873 CD PRO A 54 0.217 5.721 6.257 1.00 0.00 C ATOM 0 HA PRO A 54 -1.022 3.995 8.632 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.466 7.033 8.679 1.00 0.00 H new ATOM 0 HB3 PRO A 54 0.320 5.800 9.645 1.00 0.00 H new ATOM 0 HG2 PRO A 54 1.685 6.737 7.536 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.657 4.998 7.750 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -0.008 6.683 5.796 1.00 0.00 H new ATOM 0 HD3 PRO A 54 0.740 5.124 5.510 1.00 0.00 H new ATOM 881 N GLY A 55 -3.130 6.417 7.990 1.00 0.00 N ATOM 882 CA GLY A 55 -4.498 6.791 8.336 1.00 0.00 C ATOM 883 C GLY A 55 -5.427 5.614 8.166 1.00 0.00 C ATOM 884 O GLY A 55 -5.039 4.630 7.555 1.00 0.00 O ATOM 0 H GLY A 55 -2.705 6.964 7.242 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.535 7.145 9.366 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.827 7.616 7.704 1.00 0.00 H new ATOM 888 N GLY A 56 -6.666 5.693 8.700 1.00 0.00 N ATOM 889 CA GLY A 56 -7.564 4.543 8.640 1.00 0.00 C ATOM 890 C GLY A 56 -7.685 3.947 7.256 1.00 0.00 C ATOM 891 O GLY A 56 -7.799 2.736 7.148 1.00 0.00 O ATOM 0 H GLY A 56 -7.049 6.518 9.161 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.207 3.776 9.328 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.553 4.845 8.985 1.00 0.00 H new ATOM 895 N HIS A 57 -7.687 4.773 6.184 1.00 0.00 N ATOM 896 CA HIS A 57 -7.945 4.227 4.853 1.00 0.00 C ATOM 897 C HIS A 57 -6.830 3.319 4.380 1.00 0.00 C ATOM 898 O HIS A 57 -5.703 3.474 4.822 1.00 0.00 O ATOM 899 CB HIS A 57 -8.181 5.346 3.802 1.00 0.00 C ATOM 900 CG HIS A 57 -8.620 4.769 2.479 1.00 0.00 C ATOM 901 ND1 HIS A 57 -9.750 4.114 2.318 1.00 0.00 N ATOM 902 CD2 HIS A 57 -7.941 4.833 1.315 1.00 0.00 C ATOM 903 CE1 HIS A 57 -9.855 3.720 1.089 1.00 0.00 C ATOM 904 NE2 HIS A 57 -8.842 4.109 0.460 1.00 0.00 N ATOM 0 H HIS A 57 -7.519 5.778 6.219 1.00 0.00 H new ATOM 0 HA HIS A 57 -8.856 3.636 4.947 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -8.938 6.039 4.169 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.264 5.919 3.665 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -6.992 5.296 1.090 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.676 3.153 0.676 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -8.678 3.934 -0.531 1.00 0.00 H new ATOM 913 N SER A 58 -7.151 2.369 3.470 1.00 0.00 N ATOM 914 CA SER A 58 -6.150 1.457 2.921 1.00 0.00 C ATOM 915 C SER A 58 -6.611 1.015 1.549 1.00 0.00 C ATOM 916 O SER A 58 -7.806 1.071 1.308 1.00 0.00 O ATOM 917 CB SER A 58 -6.034 0.234 3.861 1.00 0.00 C ATOM 918 OG SER A 58 -5.095 -0.710 3.326 1.00 0.00 O ATOM 0 H SER A 58 -8.094 2.224 3.109 1.00 0.00 H new ATOM 0 HA SER A 58 -5.178 1.944 2.839 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.714 0.556 4.852 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.009 -0.238 3.979 1.00 0.00 H new ATOM 0 HG SER A 58 -4.477 -0.249 2.721 1.00 0.00 H new ATOM 924 N ILE A 59 -5.692 0.586 0.653 1.00 0.00 N ATOM 925 CA ILE A 59 -6.089 0.106 -0.671 1.00 0.00 C ATOM 926 C ILE A 59 -5.586 -1.318 -0.727 1.00 0.00 C ATOM 927 O ILE A 59 -4.453 -1.520 -1.135 1.00 0.00 O ATOM 928 CB ILE A 59 -5.501 1.007 -1.798 1.00 0.00 C ATOM 929 CG1 ILE A 59 -6.033 2.463 -1.658 1.00 0.00 C ATOM 930 CG2 ILE A 59 -5.819 0.404 -3.198 1.00 0.00 C ATOM 931 CD1 ILE A 59 -5.303 3.481 -2.575 1.00 0.00 C ATOM 0 H ILE A 59 -4.687 0.566 0.828 1.00 0.00 H new ATOM 0 HA ILE A 59 -7.167 0.145 -0.830 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.416 1.042 -1.697 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.098 2.476 -1.890 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -5.929 2.781 -0.621 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -5.401 1.046 -3.974 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.380 -0.591 -3.274 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.899 0.334 -3.327 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -5.726 4.474 -2.425 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.241 3.497 -2.328 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -5.429 3.187 -3.617 1.00 0.00 H new ATOM 943 N THR A 60 -6.415 -2.301 -0.302 1.00 0.00 N ATOM 944 CA THR A 60 -5.989 -3.697 -0.312 1.00 0.00 C ATOM 945 C THR A 60 -6.635 -4.386 -1.486 1.00 0.00 C ATOM 946 O THR A 60 -7.781 -4.072 -1.766 1.00 0.00 O ATOM 947 CB THR A 60 -6.358 -4.412 1.018 1.00 0.00 C ATOM 948 OG1 THR A 60 -5.802 -3.693 2.134 1.00 0.00 O ATOM 949 CG2 THR A 60 -5.804 -5.859 1.070 1.00 0.00 C ATOM 0 H THR A 60 -7.362 -2.146 0.043 1.00 0.00 H new ATOM 0 HA THR A 60 -4.904 -3.741 -0.406 1.00 0.00 H new ATOM 0 HB THR A 60 -7.446 -4.441 1.070 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.040 -4.149 2.968 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.085 -6.322 2.016 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.220 -6.438 0.245 1.00 0.00 H new ATOM 0 HG23 THR A 60 -4.718 -5.836 0.986 1.00 0.00 H new ATOM 957 N ASN A 61 -5.928 -5.316 -2.171 1.00 0.00 N ATOM 958 CA ASN A 61 -6.534 -6.018 -3.296 1.00 0.00 C ATOM 959 C ASN A 61 -6.017 -7.433 -3.336 1.00 0.00 C ATOM 960 O ASN A 61 -4.991 -7.708 -2.734 1.00 0.00 O ATOM 961 CB ASN A 61 -6.199 -5.294 -4.626 1.00 0.00 C ATOM 962 CG ASN A 61 -6.597 -3.840 -4.555 1.00 0.00 C ATOM 963 OD1 ASN A 61 -5.723 -2.986 -4.533 1.00 0.00 O ATOM 964 ND2 ASN A 61 -7.909 -3.524 -4.512 1.00 0.00 N ATOM 0 H ASN A 61 -4.966 -5.583 -1.963 1.00 0.00 H new ATOM 0 HA ASN A 61 -7.617 -6.028 -3.171 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -5.132 -5.375 -4.831 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -6.720 -5.779 -5.451 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -8.197 -2.547 -4.459 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -8.612 -4.262 -4.532 1.00 0.00 H new ATOM 971 N THR A 62 -6.730 -8.334 -4.045 1.00 0.00 N ATOM 972 CA THR A 62 -6.295 -9.722 -4.133 1.00 0.00 C ATOM 973 C THR A 62 -6.703 -10.226 -5.492 1.00 0.00 C ATOM 974 O THR A 62 -7.828 -9.952 -5.879 1.00 0.00 O ATOM 975 CB THR A 62 -6.942 -10.534 -2.982 1.00 0.00 C ATOM 976 OG1 THR A 62 -6.390 -10.048 -1.745 1.00 0.00 O ATOM 977 CG2 THR A 62 -6.677 -12.053 -3.140 1.00 0.00 C ATOM 0 H THR A 62 -7.590 -8.121 -4.551 1.00 0.00 H new ATOM 0 HA THR A 62 -5.215 -9.825 -4.024 1.00 0.00 H new ATOM 0 HB THR A 62 -8.024 -10.402 -2.999 1.00 0.00 H new ATOM 0 HG1 THR A 62 -6.782 -10.542 -0.995 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.145 -12.592 -2.316 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.097 -12.399 -4.085 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.603 -12.238 -3.131 1.00 0.00 H new ATOM 985 N PHE A 63 -5.819 -10.930 -6.235 1.00 0.00 N ATOM 986 CA PHE A 63 -6.170 -11.281 -7.606 1.00 0.00 C ATOM 987 C PHE A 63 -5.323 -12.409 -8.130 1.00 0.00 C ATOM 988 O PHE A 63 -4.278 -12.676 -7.561 1.00 0.00 O ATOM 989 CB PHE A 63 -6.014 -10.030 -8.505 1.00 0.00 C ATOM 990 CG PHE A 63 -4.617 -9.411 -8.366 1.00 0.00 C ATOM 991 CD1 PHE A 63 -3.548 -9.924 -9.108 1.00 0.00 C ATOM 992 CD2 PHE A 63 -4.403 -8.322 -7.513 1.00 0.00 C ATOM 993 CE1 PHE A 63 -2.299 -9.297 -9.068 1.00 0.00 C ATOM 994 CE2 PHE A 63 -3.162 -7.678 -7.493 1.00 0.00 C ATOM 995 CZ PHE A 63 -2.112 -8.159 -8.279 1.00 0.00 C ATOM 0 H PHE A 63 -4.903 -11.248 -5.918 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.205 -11.623 -7.619 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.191 -10.303 -9.545 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -6.769 -9.291 -8.237 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -3.688 -10.807 -9.714 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.199 -7.978 -6.869 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -1.478 -9.693 -9.647 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -3.015 -6.808 -6.870 1.00 0.00 H new ATOM 0 HZ PHE A 63 -1.158 -7.653 -8.277 1.00 0.00 H new ATOM 1005 N THR A 64 -5.789 -13.064 -9.218 1.00 0.00 N ATOM 1006 CA THR A 64 -5.058 -14.177 -9.812 1.00 0.00 C ATOM 1007 C THR A 64 -4.434 -13.741 -11.108 1.00 0.00 C ATOM 1008 O THR A 64 -4.966 -12.835 -11.730 1.00 0.00 O ATOM 1009 CB THR A 64 -6.046 -15.336 -10.117 1.00 0.00 C ATOM 1010 OG1 THR A 64 -7.217 -14.816 -10.774 1.00 0.00 O ATOM 1011 CG2 THR A 64 -6.493 -16.020 -8.803 1.00 0.00 C ATOM 0 H THR A 64 -6.663 -12.834 -9.691 1.00 0.00 H new ATOM 0 HA THR A 64 -4.286 -14.505 -9.116 1.00 0.00 H new ATOM 0 HB THR A 64 -5.540 -16.059 -10.757 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.992 -15.373 -10.550 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.185 -16.830 -9.032 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.621 -16.422 -8.287 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.988 -15.290 -8.163 1.00 0.00 H new ATOM 1019 N ILE A 65 -3.325 -14.391 -11.532 1.00 0.00 N ATOM 1020 CA ILE A 65 -2.788 -14.100 -12.859 1.00 0.00 C ATOM 1021 C ILE A 65 -3.642 -14.818 -13.872 1.00 0.00 C ATOM 1022 O ILE A 65 -4.067 -15.926 -13.590 1.00 0.00 O ATOM 1023 CB ILE A 65 -1.282 -14.449 -12.996 1.00 0.00 C ATOM 1024 CG1 ILE A 65 -0.434 -13.694 -11.926 1.00 0.00 C ATOM 1025 CG2 ILE A 65 -0.770 -14.184 -14.441 1.00 0.00 C ATOM 1026 CD1 ILE A 65 -0.718 -12.169 -11.831 1.00 0.00 C ATOM 0 H ILE A 65 -2.812 -15.089 -10.994 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.831 -13.025 -13.036 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.163 -15.516 -12.808 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.618 -14.146 -10.951 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.623 -13.840 -12.150 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.288 -14.438 -14.504 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.333 -14.797 -15.145 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.906 -13.131 -14.688 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.084 -11.728 -11.062 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.505 -11.699 -12.791 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.765 -12.009 -11.573 1.00 0.00 H new ATOM 1038 N GLY A 66 -3.923 -14.196 -15.043 1.00 0.00 N ATOM 1039 CA GLY A 66 -4.844 -14.813 -15.984 1.00 0.00 C ATOM 1040 C GLY A 66 -6.191 -14.886 -15.314 1.00 0.00 C ATOM 1041 O GLY A 66 -6.431 -14.150 -14.368 1.00 0.00 O ATOM 0 H GLY A 66 -3.533 -13.300 -15.337 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.903 -14.229 -16.902 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.499 -15.809 -16.262 1.00 0.00 H new ATOM 1045 N LYS A 67 -7.071 -15.785 -15.801 1.00 0.00 N ATOM 1046 CA LYS A 67 -8.331 -16.042 -15.117 1.00 0.00 C ATOM 1047 C LYS A 67 -9.048 -14.715 -14.965 1.00 0.00 C ATOM 1048 O LYS A 67 -9.189 -14.075 -15.996 1.00 0.00 O ATOM 1049 CB LYS A 67 -7.938 -16.861 -13.855 1.00 0.00 C ATOM 1050 CG LYS A 67 -9.127 -17.655 -13.257 1.00 0.00 C ATOM 1051 CD LYS A 67 -8.738 -18.255 -11.877 1.00 0.00 C ATOM 1052 CE LYS A 67 -9.906 -19.049 -11.236 1.00 0.00 C ATOM 1053 NZ LYS A 67 -9.504 -19.638 -9.936 1.00 0.00 N ATOM 0 H LYS A 67 -6.926 -16.331 -16.651 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.077 -16.650 -15.629 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -7.138 -17.554 -14.113 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.542 -16.184 -13.098 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.991 -17.000 -13.145 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.419 -18.454 -13.939 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -7.877 -18.912 -11.998 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.435 -17.452 -11.205 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -10.761 -18.389 -11.090 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.226 -19.841 -11.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -10.305 -20.163 -9.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -8.703 -20.285 -10.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -9.222 -18.879 -9.283 1.00 0.00 H new ATOM 1067 N GLU A 68 -9.494 -14.245 -13.773 1.00 0.00 N ATOM 1068 CA GLU A 68 -10.174 -12.948 -13.710 1.00 0.00 C ATOM 1069 C GLU A 68 -10.276 -12.461 -12.283 1.00 0.00 C ATOM 1070 O GLU A 68 -10.365 -13.298 -11.400 1.00 0.00 O ATOM 1071 CB GLU A 68 -11.600 -13.050 -14.320 1.00 0.00 C ATOM 1072 CG GLU A 68 -12.340 -11.685 -14.361 1.00 0.00 C ATOM 1073 CD GLU A 68 -13.650 -11.835 -15.094 1.00 0.00 C ATOM 1074 OE1 GLU A 68 -13.631 -11.826 -16.354 1.00 0.00 O ATOM 1075 OE2 GLU A 68 -14.708 -11.964 -14.419 1.00 0.00 O ATOM 0 H GLU A 68 -9.396 -14.730 -12.881 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.584 -12.236 -14.287 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.529 -13.449 -15.332 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -12.189 -13.759 -13.738 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.519 -11.328 -13.347 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.719 -10.939 -14.857 1.00 0.00 H new ATOM 1082 N CYS A 69 -10.269 -11.128 -12.044 1.00 0.00 N ATOM 1083 CA CYS A 69 -10.422 -10.612 -10.683 1.00 0.00 C ATOM 1084 C CYS A 69 -11.239 -9.346 -10.664 1.00 0.00 C ATOM 1085 O CYS A 69 -11.592 -8.852 -11.724 1.00 0.00 O ATOM 1086 CB CYS A 69 -9.007 -10.327 -10.133 1.00 0.00 C ATOM 1087 SG CYS A 69 -8.321 -8.887 -11.003 1.00 0.00 S ATOM 0 H CYS A 69 -10.161 -10.413 -12.764 1.00 0.00 H new ATOM 0 HA CYS A 69 -10.945 -11.346 -10.070 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -9.050 -10.135 -9.061 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -8.364 -11.196 -10.276 1.00 0.00 H new ATOM 0 HG CYS A 69 -8.902 -8.761 -12.159 1.00 0.00 H new ATOM 1092 N ASP A 70 -11.524 -8.820 -9.450 1.00 0.00 N ATOM 1093 CA ASP A 70 -12.231 -7.548 -9.318 1.00 0.00 C ATOM 1094 C ASP A 70 -11.431 -6.611 -8.445 1.00 0.00 C ATOM 1095 O ASP A 70 -10.696 -7.106 -7.606 1.00 0.00 O ATOM 1096 CB ASP A 70 -13.637 -7.803 -8.719 1.00 0.00 C ATOM 1097 CG ASP A 70 -14.369 -8.839 -9.535 1.00 0.00 C ATOM 1098 OD1 ASP A 70 -14.472 -8.660 -10.779 1.00 0.00 O ATOM 1099 OD2 ASP A 70 -14.846 -9.845 -8.943 1.00 0.00 O ATOM 0 H ASP A 70 -11.274 -9.259 -8.564 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.350 -7.084 -10.297 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -13.545 -8.141 -7.687 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -14.207 -6.874 -8.701 1.00 0.00 H new ATOM 1104 N ILE A 71 -11.560 -5.275 -8.644 1.00 0.00 N ATOM 1105 CA ILE A 71 -10.744 -4.308 -7.905 1.00 0.00 C ATOM 1106 C ILE A 71 -11.674 -3.301 -7.263 1.00 0.00 C ATOM 1107 O ILE A 71 -12.740 -3.087 -7.813 1.00 0.00 O ATOM 1108 CB ILE A 71 -9.779 -3.564 -8.882 1.00 0.00 C ATOM 1109 CG1 ILE A 71 -9.069 -4.503 -9.906 1.00 0.00 C ATOM 1110 CG2 ILE A 71 -8.773 -2.651 -8.125 1.00 0.00 C ATOM 1111 CD1 ILE A 71 -8.040 -5.481 -9.283 1.00 0.00 C ATOM 0 H ILE A 71 -12.216 -4.857 -9.304 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.151 -4.824 -7.149 1.00 0.00 H new ATOM 0 HB ILE A 71 -10.417 -2.916 -9.483 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -9.827 -5.082 -10.433 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -8.562 -3.889 -10.650 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -8.122 -2.153 -8.843 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -9.321 -1.902 -7.552 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -8.171 -3.256 -7.448 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -7.598 -6.093 -10.069 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -7.257 -4.914 -8.781 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -8.541 -6.125 -8.561 1.00 0.00 H new ATOM 1123 N GLU A 72 -11.301 -2.666 -6.127 1.00 0.00 N ATOM 1124 CA GLU A 72 -12.098 -1.566 -5.576 1.00 0.00 C ATOM 1125 C GLU A 72 -11.102 -0.587 -4.993 1.00 0.00 C ATOM 1126 O GLU A 72 -10.794 -0.661 -3.814 1.00 0.00 O ATOM 1127 CB GLU A 72 -13.111 -2.100 -4.533 1.00 0.00 C ATOM 1128 CG GLU A 72 -14.011 -0.958 -3.988 1.00 0.00 C ATOM 1129 CD GLU A 72 -15.029 -1.520 -3.028 1.00 0.00 C ATOM 1130 OE1 GLU A 72 -16.102 -1.984 -3.503 1.00 0.00 O ATOM 1131 OE2 GLU A 72 -14.764 -1.506 -1.796 1.00 0.00 O ATOM 0 H GLU A 72 -10.466 -2.898 -5.588 1.00 0.00 H new ATOM 0 HA GLU A 72 -12.705 -1.069 -6.333 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -13.733 -2.871 -4.988 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -12.575 -2.569 -3.708 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.399 -0.209 -3.485 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.515 -0.455 -4.813 1.00 0.00 H new ATOM 1138 N THR A 73 -10.549 0.312 -5.839 1.00 0.00 N ATOM 1139 CA THR A 73 -9.361 1.056 -5.438 1.00 0.00 C ATOM 1140 C THR A 73 -9.615 2.058 -4.331 1.00 0.00 C ATOM 1141 O THR A 73 -9.144 1.825 -3.230 1.00 0.00 O ATOM 1142 CB THR A 73 -8.696 1.725 -6.671 1.00 0.00 C ATOM 1143 OG1 THR A 73 -8.766 0.769 -7.738 1.00 0.00 O ATOM 1144 CG2 THR A 73 -7.226 2.127 -6.385 1.00 0.00 C ATOM 0 H THR A 73 -10.901 0.527 -6.772 1.00 0.00 H new ATOM 0 HA THR A 73 -8.668 0.328 -5.015 1.00 0.00 H new ATOM 0 HB THR A 73 -9.215 2.648 -6.930 1.00 0.00 H new ATOM 0 HG1 THR A 73 -7.965 0.844 -8.298 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.797 2.592 -7.273 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.197 2.833 -5.555 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.650 1.239 -6.126 1.00 0.00 H new ATOM 1152 N ILE A 74 -10.326 3.182 -4.594 1.00 0.00 N ATOM 1153 CA ILE A 74 -10.402 4.263 -3.610 1.00 0.00 C ATOM 1154 C ILE A 74 -11.669 4.083 -2.805 1.00 0.00 C ATOM 1155 O ILE A 74 -11.581 4.008 -1.588 1.00 0.00 O ATOM 1156 CB ILE A 74 -10.305 5.667 -4.282 1.00 0.00 C ATOM 1157 CG1 ILE A 74 -9.088 5.800 -5.253 1.00 0.00 C ATOM 1158 CG2 ILE A 74 -10.290 6.800 -3.217 1.00 0.00 C ATOM 1159 CD1 ILE A 74 -7.691 5.671 -4.589 1.00 0.00 C ATOM 0 H ILE A 74 -10.839 3.352 -5.459 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.547 4.213 -2.936 1.00 0.00 H new ATOM 0 HB ILE A 74 -11.202 5.774 -4.892 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -9.176 5.037 -6.026 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.147 6.767 -5.752 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -10.222 7.767 -3.715 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -11.207 6.759 -2.629 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -9.431 6.670 -2.559 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.916 5.778 -5.348 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.572 6.451 -3.837 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.602 4.693 -4.115 1.00 0.00 H new ATOM 1171 N GLY A 75 -12.860 3.999 -3.442 1.00 0.00 N ATOM 1172 CA GLY A 75 -14.070 3.741 -2.666 1.00 0.00 C ATOM 1173 C GLY A 75 -15.318 3.933 -3.495 1.00 0.00 C ATOM 1174 O GLY A 75 -15.386 4.920 -4.209 1.00 0.00 O ATOM 0 H GLY A 75 -12.997 4.102 -4.447 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -14.044 2.722 -2.279 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -14.099 4.409 -1.805 1.00 0.00 H new ATOM 1178 N GLY A 76 -16.317 3.021 -3.422 1.00 0.00 N ATOM 1179 CA GLY A 76 -17.518 3.195 -4.234 1.00 0.00 C ATOM 1180 C GLY A 76 -17.249 3.040 -5.713 1.00 0.00 C ATOM 1181 O GLY A 76 -18.095 3.460 -6.489 1.00 0.00 O ATOM 0 H GLY A 76 -16.308 2.191 -2.829 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -18.268 2.466 -3.927 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -17.938 4.183 -4.047 1.00 0.00 H new ATOM 1185 N LYS A 77 -16.106 2.444 -6.130 1.00 0.00 N ATOM 1186 CA LYS A 77 -15.810 2.288 -7.553 1.00 0.00 C ATOM 1187 C LYS A 77 -15.287 0.887 -7.745 1.00 0.00 C ATOM 1188 O LYS A 77 -14.131 0.692 -8.085 1.00 0.00 O ATOM 1189 CB LYS A 77 -14.824 3.393 -8.009 1.00 0.00 C ATOM 1190 CG LYS A 77 -15.535 4.774 -8.053 1.00 0.00 C ATOM 1191 CD LYS A 77 -14.595 5.943 -8.454 1.00 0.00 C ATOM 1192 CE LYS A 77 -13.529 6.311 -7.381 1.00 0.00 C ATOM 1193 NZ LYS A 77 -14.094 6.720 -6.074 1.00 0.00 N ATOM 0 H LYS A 77 -15.392 2.073 -5.504 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.694 2.412 -8.178 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -13.976 3.436 -7.326 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -14.427 3.150 -8.995 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -16.363 4.725 -8.760 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -15.965 4.984 -7.074 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -14.084 5.680 -9.380 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -15.201 6.825 -8.663 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.874 5.453 -7.228 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.909 7.121 -7.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -13.341 7.123 -5.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.836 7.433 -6.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -14.503 5.891 -5.598 1.00 0.00 H new ATOM 1207 N LYS A 78 -16.180 -0.101 -7.517 1.00 0.00 N ATOM 1208 CA LYS A 78 -15.801 -1.491 -7.737 1.00 0.00 C ATOM 1209 C LYS A 78 -15.618 -1.673 -9.226 1.00 0.00 C ATOM 1210 O LYS A 78 -16.367 -1.066 -9.975 1.00 0.00 O ATOM 1211 CB LYS A 78 -16.881 -2.457 -7.179 1.00 0.00 C ATOM 1212 CG LYS A 78 -16.495 -3.957 -7.305 1.00 0.00 C ATOM 1213 CD LYS A 78 -17.626 -4.857 -6.731 1.00 0.00 C ATOM 1214 CE LYS A 78 -17.367 -6.379 -6.920 1.00 0.00 C ATOM 1215 NZ LYS A 78 -16.263 -6.896 -6.078 1.00 0.00 N ATOM 0 H LYS A 78 -17.136 0.042 -7.191 1.00 0.00 H new ATOM 0 HA LYS A 78 -14.876 -1.725 -7.210 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -17.059 -2.223 -6.130 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -17.819 -2.286 -7.708 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -16.318 -4.207 -8.351 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -15.564 -4.146 -6.770 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -17.742 -4.646 -5.668 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -18.568 -4.595 -7.213 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -18.280 -6.927 -6.687 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -17.137 -6.574 -7.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -16.142 -7.914 -6.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -15.382 -6.397 -6.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -16.489 -6.740 -5.075 1.00 0.00 H new ATOM 1229 N PHE A 79 -14.635 -2.491 -9.661 1.00 0.00 N ATOM 1230 CA PHE A 79 -14.397 -2.716 -11.084 1.00 0.00 C ATOM 1231 C PHE A 79 -14.298 -4.198 -11.339 1.00 0.00 C ATOM 1232 O PHE A 79 -14.129 -4.939 -10.384 1.00 0.00 O ATOM 1233 CB PHE A 79 -13.014 -2.154 -11.503 1.00 0.00 C ATOM 1234 CG PHE A 79 -12.852 -0.663 -11.187 1.00 0.00 C ATOM 1235 CD1 PHE A 79 -13.360 0.298 -12.069 1.00 0.00 C ATOM 1236 CD2 PHE A 79 -12.177 -0.248 -10.033 1.00 0.00 C ATOM 1237 CE1 PHE A 79 -13.109 1.656 -11.850 1.00 0.00 C ATOM 1238 CE2 PHE A 79 -11.895 1.105 -9.830 1.00 0.00 C ATOM 1239 CZ PHE A 79 -12.358 2.056 -10.741 1.00 0.00 C ATOM 0 H PHE A 79 -14.002 -2.999 -9.043 1.00 0.00 H new ATOM 0 HA PHE A 79 -15.210 -2.239 -11.631 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -12.231 -2.715 -10.993 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -12.873 -2.310 -12.573 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -13.948 -0.010 -12.921 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -11.873 -0.977 -9.296 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -13.495 2.395 -12.537 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -11.320 1.415 -8.970 1.00 0.00 H new ATOM 0 HZ PHE A 79 -12.136 3.102 -10.589 1.00 0.00 H new ATOM 1249 N LYS A 80 -14.356 -4.611 -12.625 1.00 0.00 N ATOM 1250 CA LYS A 80 -13.972 -5.970 -12.992 1.00 0.00 C ATOM 1251 C LYS A 80 -12.727 -5.860 -13.839 1.00 0.00 C ATOM 1252 O LYS A 80 -12.560 -4.838 -14.484 1.00 0.00 O ATOM 1253 CB LYS A 80 -15.130 -6.720 -13.696 1.00 0.00 C ATOM 1254 CG LYS A 80 -16.419 -6.642 -12.830 1.00 0.00 C ATOM 1255 CD LYS A 80 -17.509 -7.667 -13.250 1.00 0.00 C ATOM 1256 CE LYS A 80 -17.995 -7.486 -14.714 1.00 0.00 C ATOM 1257 NZ LYS A 80 -19.120 -8.402 -15.019 1.00 0.00 N ATOM 0 H LYS A 80 -14.660 -4.027 -13.404 1.00 0.00 H new ATOM 0 HA LYS A 80 -13.757 -6.571 -12.109 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -15.314 -6.282 -14.677 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -14.854 -7.762 -13.858 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -16.156 -6.810 -11.785 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -16.832 -5.636 -12.897 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -17.115 -8.676 -13.128 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -18.362 -7.575 -12.578 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -18.309 -6.454 -14.871 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -17.170 -7.677 -15.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -19.426 -8.261 -16.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -18.811 -9.387 -14.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -19.914 -8.202 -14.378 1.00 0.00 H new ATOM 1271 N ALA A 81 -11.834 -6.877 -13.835 1.00 0.00 N ATOM 1272 CA ALA A 81 -10.564 -6.737 -14.544 1.00 0.00 C ATOM 1273 C ALA A 81 -9.963 -8.090 -14.843 1.00 0.00 C ATOM 1274 O ALA A 81 -10.082 -8.962 -13.996 1.00 0.00 O ATOM 1275 CB ALA A 81 -9.575 -5.943 -13.653 1.00 0.00 C ATOM 0 H ALA A 81 -11.971 -7.770 -13.363 1.00 0.00 H new ATOM 0 HA ALA A 81 -10.746 -6.215 -15.483 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.624 -5.833 -14.174 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.988 -4.957 -13.440 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -9.417 -6.480 -12.718 1.00 0.00 H new ATOM 1281 N THR A 82 -9.316 -8.275 -16.018 1.00 0.00 N ATOM 1282 CA THR A 82 -8.650 -9.539 -16.317 1.00 0.00 C ATOM 1283 C THR A 82 -7.180 -9.283 -16.127 1.00 0.00 C ATOM 1284 O THR A 82 -6.505 -8.959 -17.091 1.00 0.00 O ATOM 1285 CB THR A 82 -8.971 -10.030 -17.756 1.00 0.00 C ATOM 1286 OG1 THR A 82 -8.753 -8.981 -18.716 1.00 0.00 O ATOM 1287 CG2 THR A 82 -10.445 -10.499 -17.857 1.00 0.00 C ATOM 0 H THR A 82 -9.248 -7.572 -16.754 1.00 0.00 H new ATOM 0 HA THR A 82 -8.998 -10.335 -15.659 1.00 0.00 H new ATOM 0 HB THR A 82 -8.305 -10.865 -17.974 1.00 0.00 H new ATOM 0 HG1 THR A 82 -7.870 -8.582 -18.570 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.650 -10.839 -18.872 1.00 0.00 H new ATOM 0 HG22 THR A 82 -10.615 -11.319 -17.159 1.00 0.00 H new ATOM 0 HG23 THR A 82 -11.108 -9.670 -17.611 1.00 0.00 H new ATOM 1295 N VAL A 83 -6.672 -9.420 -14.881 1.00 0.00 N ATOM 1296 CA VAL A 83 -5.241 -9.227 -14.664 1.00 0.00 C ATOM 1297 C VAL A 83 -4.482 -10.107 -15.630 1.00 0.00 C ATOM 1298 O VAL A 83 -4.892 -11.240 -15.826 1.00 0.00 O ATOM 1299 CB VAL A 83 -4.799 -9.600 -13.215 1.00 0.00 C ATOM 1300 CG1 VAL A 83 -3.276 -9.879 -13.110 1.00 0.00 C ATOM 1301 CG2 VAL A 83 -5.141 -8.471 -12.209 1.00 0.00 C ATOM 0 H VAL A 83 -7.214 -9.654 -14.049 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.025 -8.170 -14.820 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.350 -10.508 -12.970 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.023 -10.134 -12.081 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.012 -10.710 -13.765 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -2.722 -8.990 -13.411 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.819 -8.764 -11.210 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.627 -7.555 -12.501 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.217 -8.299 -12.208 1.00 0.00 H new ATOM 1311 N GLN A 84 -3.365 -9.606 -16.208 1.00 0.00 N ATOM 1312 CA GLN A 84 -2.480 -10.452 -17.005 1.00 0.00 C ATOM 1313 C GLN A 84 -1.071 -10.200 -16.532 1.00 0.00 C ATOM 1314 O GLN A 84 -0.867 -9.230 -15.819 1.00 0.00 O ATOM 1315 CB GLN A 84 -2.585 -10.137 -18.521 1.00 0.00 C ATOM 1316 CG GLN A 84 -4.056 -9.951 -18.978 1.00 0.00 C ATOM 1317 CD GLN A 84 -4.188 -10.023 -20.482 1.00 0.00 C ATOM 1318 OE1 GLN A 84 -4.924 -10.868 -20.968 1.00 0.00 O ATOM 1319 NE2 GLN A 84 -3.492 -9.157 -21.253 1.00 0.00 N ATOM 0 H GLN A 84 -3.068 -8.633 -16.133 1.00 0.00 H new ATOM 0 HA GLN A 84 -2.767 -11.496 -16.876 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -2.020 -9.232 -18.743 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -2.128 -10.946 -19.091 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -4.679 -10.720 -18.521 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -4.427 -8.989 -18.626 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -2.885 -8.462 -20.819 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -3.574 -9.199 -22.269 1.00 0.00 H new ATOM 1328 N MET A 85 -0.099 -11.052 -16.930 1.00 0.00 N ATOM 1329 CA MET A 85 1.300 -10.793 -16.597 1.00 0.00 C ATOM 1330 C MET A 85 2.145 -11.095 -17.808 1.00 0.00 C ATOM 1331 O MET A 85 1.916 -12.128 -18.416 1.00 0.00 O ATOM 1332 CB MET A 85 1.734 -11.632 -15.370 1.00 0.00 C ATOM 1333 CG MET A 85 3.189 -11.345 -14.916 1.00 0.00 C ATOM 1334 SD MET A 85 3.471 -12.212 -13.337 1.00 0.00 S ATOM 1335 CE MET A 85 5.119 -11.577 -12.899 1.00 0.00 C ATOM 0 H MET A 85 -0.262 -11.902 -17.469 1.00 0.00 H new ATOM 0 HA MET A 85 1.433 -9.746 -16.325 1.00 0.00 H new ATOM 0 HB2 MET A 85 1.055 -11.430 -14.541 1.00 0.00 H new ATOM 0 HB3 MET A 85 1.637 -12.691 -15.610 1.00 0.00 H new ATOM 0 HG2 MET A 85 3.898 -11.687 -15.670 1.00 0.00 H new ATOM 0 HG3 MET A 85 3.346 -10.273 -14.795 1.00 0.00 H new ATOM 0 HE1 MET A 85 5.437 -12.014 -11.952 1.00 0.00 H new ATOM 0 HE2 MET A 85 5.831 -11.844 -13.680 1.00 0.00 H new ATOM 0 HE3 MET A 85 5.077 -10.492 -12.802 1.00 0.00 H new ATOM 1345 N GLU A 86 3.099 -10.205 -18.176 1.00 0.00 N ATOM 1346 CA GLU A 86 3.871 -10.397 -19.401 1.00 0.00 C ATOM 1347 C GLU A 86 5.290 -9.995 -19.081 1.00 0.00 C ATOM 1348 O GLU A 86 5.455 -8.908 -18.551 1.00 0.00 O ATOM 1349 CB GLU A 86 3.258 -9.516 -20.524 1.00 0.00 C ATOM 1350 CG GLU A 86 1.764 -9.856 -20.772 1.00 0.00 C ATOM 1351 CD GLU A 86 1.229 -9.051 -21.928 1.00 0.00 C ATOM 1352 OE1 GLU A 86 1.318 -9.537 -23.088 1.00 0.00 O ATOM 1353 OE2 GLU A 86 0.715 -7.925 -21.687 1.00 0.00 O ATOM 0 H GLU A 86 3.340 -9.367 -17.646 1.00 0.00 H new ATOM 0 HA GLU A 86 3.853 -11.429 -19.752 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.351 -8.464 -20.253 1.00 0.00 H new ATOM 0 HB3 GLU A 86 3.821 -9.659 -21.446 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.656 -10.920 -20.981 1.00 0.00 H new ATOM 0 HG3 GLU A 86 1.182 -9.646 -19.874 1.00 0.00 H new ATOM 1360 N GLY A 87 6.324 -10.829 -19.345 1.00 0.00 N ATOM 1361 CA GLY A 87 7.656 -10.491 -18.851 1.00 0.00 C ATOM 1362 C GLY A 87 7.628 -10.578 -17.342 1.00 0.00 C ATOM 1363 O GLY A 87 6.783 -11.292 -16.824 1.00 0.00 O ATOM 0 H GLY A 87 6.258 -11.699 -19.873 1.00 0.00 H new ATOM 0 HA2 GLY A 87 8.399 -11.176 -19.259 1.00 0.00 H new ATOM 0 HA3 GLY A 87 7.938 -9.488 -19.170 1.00 0.00 H new ATOM 1367 N GLY A 88 8.526 -9.865 -16.621 1.00 0.00 N ATOM 1368 CA GLY A 88 8.468 -9.852 -15.159 1.00 0.00 C ATOM 1369 C GLY A 88 7.702 -8.627 -14.725 1.00 0.00 C ATOM 1370 O GLY A 88 8.233 -7.841 -13.956 1.00 0.00 O ATOM 0 H GLY A 88 9.278 -9.307 -17.025 1.00 0.00 H new ATOM 0 HA2 GLY A 88 7.981 -10.755 -14.791 1.00 0.00 H new ATOM 0 HA3 GLY A 88 9.474 -9.839 -14.739 1.00 0.00 H new ATOM 1374 N LYS A 89 6.456 -8.450 -15.225 1.00 0.00 N ATOM 1375 CA LYS A 89 5.723 -7.210 -14.997 1.00 0.00 C ATOM 1376 C LYS A 89 4.237 -7.507 -15.006 1.00 0.00 C ATOM 1377 O LYS A 89 3.775 -8.006 -16.019 1.00 0.00 O ATOM 1378 CB LYS A 89 6.090 -6.316 -16.208 1.00 0.00 C ATOM 1379 CG LYS A 89 5.370 -4.946 -16.171 1.00 0.00 C ATOM 1380 CD LYS A 89 5.730 -4.120 -17.436 1.00 0.00 C ATOM 1381 CE LYS A 89 5.399 -2.615 -17.273 1.00 0.00 C ATOM 1382 NZ LYS A 89 3.957 -2.350 -17.067 1.00 0.00 N ATOM 0 H LYS A 89 5.955 -9.145 -15.778 1.00 0.00 H new ATOM 0 HA LYS A 89 5.966 -6.737 -14.046 1.00 0.00 H new ATOM 0 HB2 LYS A 89 7.168 -6.156 -16.224 1.00 0.00 H new ATOM 0 HB3 LYS A 89 5.830 -6.835 -17.131 1.00 0.00 H new ATOM 0 HG2 LYS A 89 4.291 -5.094 -16.119 1.00 0.00 H new ATOM 0 HG3 LYS A 89 5.660 -4.398 -15.275 1.00 0.00 H new ATOM 0 HD2 LYS A 89 6.792 -4.234 -17.651 1.00 0.00 H new ATOM 0 HD3 LYS A 89 5.187 -4.518 -18.293 1.00 0.00 H new ATOM 0 HE2 LYS A 89 5.959 -2.217 -16.427 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.737 -2.078 -18.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 3.803 -1.326 -16.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 3.419 -2.701 -17.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 3.634 -2.836 -16.206 1.00 0.00 H new ATOM 1396 N VAL A 90 3.481 -7.220 -13.918 1.00 0.00 N ATOM 1397 CA VAL A 90 2.045 -7.505 -13.916 1.00 0.00 C ATOM 1398 C VAL A 90 1.313 -6.335 -14.519 1.00 0.00 C ATOM 1399 O VAL A 90 1.767 -5.220 -14.320 1.00 0.00 O ATOM 1400 CB VAL A 90 1.463 -7.875 -12.516 1.00 0.00 C ATOM 1401 CG1 VAL A 90 1.380 -6.663 -11.547 1.00 0.00 C ATOM 1402 CG2 VAL A 90 0.041 -8.489 -12.626 1.00 0.00 C ATOM 0 H VAL A 90 3.839 -6.803 -13.058 1.00 0.00 H new ATOM 0 HA VAL A 90 1.896 -8.400 -14.520 1.00 0.00 H new ATOM 0 HB VAL A 90 2.164 -8.605 -12.111 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.967 -6.988 -10.592 1.00 0.00 H new ATOM 0 HG12 VAL A 90 2.378 -6.253 -11.390 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.737 -5.896 -11.978 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -0.328 -8.733 -11.630 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.630 -7.770 -13.096 1.00 0.00 H new ATOM 0 HG23 VAL A 90 0.082 -9.396 -13.230 1.00 0.00 H new ATOM 1412 N VAL A 91 0.186 -6.576 -15.232 1.00 0.00 N ATOM 1413 CA VAL A 91 -0.676 -5.483 -15.672 1.00 0.00 C ATOM 1414 C VAL A 91 -2.083 -5.780 -15.218 1.00 0.00 C ATOM 1415 O VAL A 91 -2.410 -6.944 -15.044 1.00 0.00 O ATOM 1416 CB VAL A 91 -0.693 -5.243 -17.210 1.00 0.00 C ATOM 1417 CG1 VAL A 91 0.717 -4.845 -17.715 1.00 0.00 C ATOM 1418 CG2 VAL A 91 -1.230 -6.468 -18.001 1.00 0.00 C ATOM 0 H VAL A 91 -0.133 -7.506 -15.505 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.270 -4.574 -15.229 1.00 0.00 H new ATOM 0 HB VAL A 91 -1.384 -4.420 -17.394 1.00 0.00 H new ATOM 0 HG11 VAL A 91 0.685 -4.681 -18.792 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.036 -3.929 -17.218 1.00 0.00 H new ATOM 0 HG13 VAL A 91 1.423 -5.644 -17.490 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -1.220 -6.245 -19.068 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.597 -7.334 -17.805 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.250 -6.686 -17.686 1.00 0.00 H new ATOM 1428 N VAL A 92 -2.923 -4.734 -15.056 1.00 0.00 N ATOM 1429 CA VAL A 92 -4.352 -4.947 -14.853 1.00 0.00 C ATOM 1430 C VAL A 92 -5.042 -3.924 -15.709 1.00 0.00 C ATOM 1431 O VAL A 92 -4.442 -2.892 -15.972 1.00 0.00 O ATOM 1432 CB VAL A 92 -4.837 -4.901 -13.366 1.00 0.00 C ATOM 1433 CG1 VAL A 92 -3.641 -4.882 -12.377 1.00 0.00 C ATOM 1434 CG2 VAL A 92 -5.830 -3.743 -13.056 1.00 0.00 C ATOM 0 H VAL A 92 -2.633 -3.756 -15.063 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.602 -5.968 -15.141 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.399 -5.824 -13.221 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.015 -4.850 -11.354 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.040 -5.781 -12.516 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.026 -4.002 -12.566 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.117 -3.782 -12.005 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.351 -2.787 -13.266 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -6.718 -3.849 -13.679 1.00 0.00 H new ATOM 1444 N ASN A 93 -6.291 -4.197 -16.140 1.00 0.00 N ATOM 1445 CA ASN A 93 -6.997 -3.214 -16.950 1.00 0.00 C ATOM 1446 C ASN A 93 -8.441 -3.168 -16.506 1.00 0.00 C ATOM 1447 O ASN A 93 -8.990 -4.232 -16.267 1.00 0.00 O ATOM 1448 CB ASN A 93 -6.762 -3.571 -18.437 1.00 0.00 C ATOM 1449 CG ASN A 93 -7.115 -5.008 -18.743 1.00 0.00 C ATOM 1450 OD1 ASN A 93 -6.217 -5.808 -18.958 1.00 0.00 O ATOM 1451 ND2 ASN A 93 -8.412 -5.371 -18.766 1.00 0.00 N ATOM 0 H ASN A 93 -6.805 -5.056 -15.945 1.00 0.00 H new ATOM 0 HA ASN A 93 -6.627 -2.197 -16.821 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -7.359 -2.910 -19.066 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -5.717 -3.394 -18.690 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -8.668 -6.338 -18.967 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -9.139 -4.679 -18.582 1.00 0.00 H new ATOM 1458 N SER A 94 -9.053 -1.966 -16.368 1.00 0.00 N ATOM 1459 CA SER A 94 -10.414 -1.858 -15.835 1.00 0.00 C ATOM 1460 C SER A 94 -11.180 -0.834 -16.647 1.00 0.00 C ATOM 1461 O SER A 94 -10.502 -0.033 -17.270 1.00 0.00 O ATOM 1462 CB SER A 94 -10.329 -1.346 -14.373 1.00 0.00 C ATOM 1463 OG SER A 94 -9.692 -2.289 -13.497 1.00 0.00 O ATOM 0 H SER A 94 -8.624 -1.075 -16.617 1.00 0.00 H new ATOM 0 HA SER A 94 -10.911 -2.827 -15.879 1.00 0.00 H new ATOM 0 HB2 SER A 94 -9.778 -0.406 -14.352 1.00 0.00 H new ATOM 0 HB3 SER A 94 -11.334 -1.135 -14.006 1.00 0.00 H new ATOM 0 HG SER A 94 -9.660 -1.922 -12.589 1.00 0.00 H new ATOM 1469 N PRO A 95 -12.538 -0.780 -16.683 1.00 0.00 N ATOM 1470 CA PRO A 95 -13.202 0.298 -17.403 1.00 0.00 C ATOM 1471 C PRO A 95 -12.615 1.672 -17.170 1.00 0.00 C ATOM 1472 O PRO A 95 -12.446 2.389 -18.144 1.00 0.00 O ATOM 1473 CB PRO A 95 -14.632 0.152 -16.831 1.00 0.00 C ATOM 1474 CG PRO A 95 -14.770 -1.374 -16.631 1.00 0.00 C ATOM 1475 CD PRO A 95 -13.395 -1.776 -16.047 1.00 0.00 C ATOM 0 HA PRO A 95 -13.117 0.219 -18.487 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -14.749 0.695 -15.893 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.384 0.539 -17.519 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.585 -1.619 -15.950 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -14.975 -1.887 -17.571 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -13.371 -1.711 -14.959 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.114 -2.795 -16.311 1.00 0.00 H new ATOM 1483 N ASN A 96 -12.293 2.060 -15.912 1.00 0.00 N ATOM 1484 CA ASN A 96 -11.721 3.387 -15.668 1.00 0.00 C ATOM 1485 C ASN A 96 -10.729 3.335 -14.528 1.00 0.00 C ATOM 1486 O ASN A 96 -10.830 4.118 -13.597 1.00 0.00 O ATOM 1487 CB ASN A 96 -12.847 4.425 -15.423 1.00 0.00 C ATOM 1488 CG ASN A 96 -13.815 4.419 -16.583 1.00 0.00 C ATOM 1489 OD1 ASN A 96 -13.570 5.120 -17.552 1.00 0.00 O ATOM 1490 ND2 ASN A 96 -14.913 3.634 -16.522 1.00 0.00 N ATOM 0 H ASN A 96 -12.418 1.485 -15.079 1.00 0.00 H new ATOM 0 HA ASN A 96 -11.174 3.709 -16.554 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -13.374 4.191 -14.498 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -12.417 5.419 -15.303 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -15.570 3.614 -17.302 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -15.085 3.061 -15.696 1.00 0.00 H new ATOM 1497 N TYR A 97 -9.749 2.408 -14.615 1.00 0.00 N ATOM 1498 CA TYR A 97 -8.707 2.315 -13.592 1.00 0.00 C ATOM 1499 C TYR A 97 -7.648 1.351 -14.073 1.00 0.00 C ATOM 1500 O TYR A 97 -7.524 0.251 -13.559 1.00 0.00 O ATOM 1501 CB TYR A 97 -9.250 1.887 -12.200 1.00 0.00 C ATOM 1502 CG TYR A 97 -8.070 1.653 -11.242 1.00 0.00 C ATOM 1503 CD1 TYR A 97 -7.368 2.752 -10.734 1.00 0.00 C ATOM 1504 CD2 TYR A 97 -7.678 0.361 -10.872 1.00 0.00 C ATOM 1505 CE1 TYR A 97 -6.260 2.565 -9.903 1.00 0.00 C ATOM 1506 CE2 TYR A 97 -6.545 0.173 -10.074 1.00 0.00 C ATOM 1507 CZ TYR A 97 -5.834 1.271 -9.581 1.00 0.00 C ATOM 1508 OH TYR A 97 -4.711 1.050 -8.777 1.00 0.00 O ATOM 0 H TYR A 97 -9.666 1.729 -15.372 1.00 0.00 H new ATOM 0 HA TYR A 97 -8.285 3.310 -13.449 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -9.909 2.658 -11.801 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -9.844 0.977 -12.293 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -7.685 3.753 -10.986 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -8.252 -0.492 -11.203 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -5.732 3.420 -9.509 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -6.217 -0.828 -9.837 1.00 0.00 H new ATOM 0 HH TYR A 97 -3.910 1.001 -9.340 1.00 0.00 H new ATOM 1518 N HIS A 98 -6.856 1.754 -15.087 1.00 0.00 N ATOM 1519 CA HIS A 98 -5.792 0.864 -15.529 1.00 0.00 C ATOM 1520 C HIS A 98 -4.764 0.862 -14.426 1.00 0.00 C ATOM 1521 O HIS A 98 -4.610 1.889 -13.783 1.00 0.00 O ATOM 1522 CB HIS A 98 -5.153 1.304 -16.868 1.00 0.00 C ATOM 1523 CG HIS A 98 -4.423 0.176 -17.555 1.00 0.00 C ATOM 1524 ND1 HIS A 98 -4.855 -0.470 -18.619 1.00 0.00 N ATOM 1525 CD2 HIS A 98 -3.229 -0.313 -17.171 1.00 0.00 C ATOM 1526 CE1 HIS A 98 -3.986 -1.367 -18.971 1.00 0.00 C ATOM 1527 NE2 HIS A 98 -3.026 -1.327 -18.167 1.00 0.00 N ATOM 0 H HIS A 98 -6.932 2.641 -15.585 1.00 0.00 H new ATOM 0 HA HIS A 98 -6.197 -0.130 -15.718 1.00 0.00 H new ATOM 0 HB2 HIS A 98 -5.930 1.687 -17.530 1.00 0.00 H new ATOM 0 HB3 HIS A 98 -4.459 2.124 -16.684 1.00 0.00 H new ATOM 0 HD2 HIS A 98 -2.599 -0.023 -16.343 1.00 0.00 H new ATOM 0 HE1 HIS A 98 -4.075 -2.035 -19.815 1.00 0.00 H new ATOM 0 HE2 HIS A 98 -2.208 -1.935 -18.214 1.00 0.00 H new ATOM 1536 N HIS A 99 -4.059 -0.264 -14.192 1.00 0.00 N ATOM 1537 CA HIS A 99 -3.019 -0.267 -13.168 1.00 0.00 C ATOM 1538 C HIS A 99 -1.962 -1.274 -13.519 1.00 0.00 C ATOM 1539 O HIS A 99 -2.303 -2.249 -14.165 1.00 0.00 O ATOM 1540 CB HIS A 99 -3.614 -0.604 -11.782 1.00 0.00 C ATOM 1541 CG HIS A 99 -2.569 -0.616 -10.696 1.00 0.00 C ATOM 1542 ND1 HIS A 99 -2.125 0.480 -10.124 1.00 0.00 N ATOM 1543 CD2 HIS A 99 -1.966 -1.705 -10.173 1.00 0.00 C ATOM 1544 CE1 HIS A 99 -1.245 0.177 -9.225 1.00 0.00 C ATOM 1545 NE2 HIS A 99 -1.108 -1.070 -9.208 1.00 0.00 N ATOM 0 H HIS A 99 -4.190 -1.148 -14.683 1.00 0.00 H new ATOM 0 HA HIS A 99 -2.577 0.728 -13.125 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -4.384 0.126 -11.533 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -4.100 -1.579 -11.825 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -2.091 -2.751 -10.410 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -0.718 0.879 -8.596 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -0.470 -1.570 -8.589 1.00 0.00 H new ATOM 1554 N THR A 100 -0.695 -1.052 -13.105 1.00 0.00 N ATOM 1555 CA THR A 100 0.338 -2.047 -13.381 1.00 0.00 C ATOM 1556 C THR A 100 1.365 -2.022 -12.286 1.00 0.00 C ATOM 1557 O THR A 100 1.435 -1.029 -11.582 1.00 0.00 O ATOM 1558 CB THR A 100 1.077 -1.832 -14.739 1.00 0.00 C ATOM 1559 OG1 THR A 100 2.104 -0.822 -14.681 1.00 0.00 O ATOM 1560 CG2 THR A 100 0.123 -1.418 -15.886 1.00 0.00 C ATOM 0 H THR A 100 -0.381 -0.224 -12.599 1.00 0.00 H new ATOM 0 HA THR A 100 -0.178 -3.005 -13.436 1.00 0.00 H new ATOM 0 HB THR A 100 1.520 -2.808 -14.938 1.00 0.00 H new ATOM 0 HG1 THR A 100 2.418 -0.623 -15.588 1.00 0.00 H new ATOM 0 HG21 THR A 100 0.695 -1.283 -16.804 1.00 0.00 H new ATOM 0 HG22 THR A 100 -0.625 -2.196 -16.036 1.00 0.00 H new ATOM 0 HG23 THR A 100 -0.373 -0.483 -15.627 1.00 0.00 H new ATOM 1568 N ALA A 101 2.181 -3.095 -12.176 1.00 0.00 N ATOM 1569 CA ALA A 101 3.314 -3.058 -11.260 1.00 0.00 C ATOM 1570 C ALA A 101 4.476 -3.810 -11.857 1.00 0.00 C ATOM 1571 O ALA A 101 4.275 -4.597 -12.769 1.00 0.00 O ATOM 1572 CB ALA A 101 2.938 -3.499 -9.826 1.00 0.00 C ATOM 0 H ALA A 101 2.072 -3.965 -12.697 1.00 0.00 H new ATOM 0 HA ALA A 101 3.633 -2.023 -11.135 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.820 -3.452 -9.188 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.169 -2.835 -9.431 1.00 0.00 H new ATOM 0 HB3 ALA A 101 2.560 -4.521 -9.847 1.00 0.00 H new ATOM 1578 N GLU A 102 5.700 -3.527 -11.362 1.00 0.00 N ATOM 1579 CA GLU A 102 6.907 -3.973 -12.052 1.00 0.00 C ATOM 1580 C GLU A 102 8.020 -4.158 -11.051 1.00 0.00 C ATOM 1581 O GLU A 102 8.003 -3.442 -10.064 1.00 0.00 O ATOM 1582 CB GLU A 102 7.260 -2.821 -13.034 1.00 0.00 C ATOM 1583 CG GLU A 102 8.670 -2.926 -13.671 1.00 0.00 C ATOM 1584 CD GLU A 102 8.790 -4.135 -14.562 1.00 0.00 C ATOM 1585 OE1 GLU A 102 9.061 -5.247 -14.037 1.00 0.00 O ATOM 1586 OE2 GLU A 102 8.625 -3.977 -15.801 1.00 0.00 O ATOM 0 H GLU A 102 5.867 -3.002 -10.504 1.00 0.00 H new ATOM 0 HA GLU A 102 6.765 -4.922 -12.570 1.00 0.00 H new ATOM 0 HB2 GLU A 102 6.516 -2.799 -13.831 1.00 0.00 H new ATOM 0 HB3 GLU A 102 7.185 -1.872 -12.503 1.00 0.00 H new ATOM 0 HG2 GLU A 102 8.876 -2.026 -14.250 1.00 0.00 H new ATOM 0 HG3 GLU A 102 9.422 -2.978 -12.884 1.00 0.00 H new ATOM 1593 N ILE A 103 8.985 -5.078 -11.300 1.00 0.00 N ATOM 1594 CA ILE A 103 10.198 -5.141 -10.480 1.00 0.00 C ATOM 1595 C ILE A 103 11.386 -4.932 -11.392 1.00 0.00 C ATOM 1596 O ILE A 103 11.486 -5.667 -12.362 1.00 0.00 O ATOM 1597 CB ILE A 103 10.382 -6.513 -9.760 1.00 0.00 C ATOM 1598 CG1 ILE A 103 9.231 -6.803 -8.747 1.00 0.00 C ATOM 1599 CG2 ILE A 103 11.785 -6.627 -9.089 1.00 0.00 C ATOM 1600 CD1 ILE A 103 9.374 -6.078 -7.382 1.00 0.00 C ATOM 0 H ILE A 103 8.940 -5.769 -12.049 1.00 0.00 H new ATOM 0 HA ILE A 103 10.115 -4.374 -9.710 1.00 0.00 H new ATOM 0 HB ILE A 103 10.327 -7.284 -10.528 1.00 0.00 H new ATOM 0 HG12 ILE A 103 8.284 -6.512 -9.201 1.00 0.00 H new ATOM 0 HG13 ILE A 103 9.183 -7.877 -8.570 1.00 0.00 H new ATOM 0 HG21 ILE A 103 11.876 -7.596 -8.598 1.00 0.00 H new ATOM 0 HG22 ILE A 103 12.561 -6.531 -9.849 1.00 0.00 H new ATOM 0 HG23 ILE A 103 11.901 -5.834 -8.351 1.00 0.00 H new ATOM 0 HD11 ILE A 103 8.531 -6.338 -6.742 1.00 0.00 H new ATOM 0 HD12 ILE A 103 10.303 -6.386 -6.902 1.00 0.00 H new ATOM 0 HD13 ILE A 103 9.389 -5.000 -7.542 1.00 0.00 H new ATOM 1612 N VAL A 104 12.300 -3.978 -11.091 1.00 0.00 N ATOM 1613 CA VAL A 104 13.535 -3.853 -11.870 1.00 0.00 C ATOM 1614 C VAL A 104 14.633 -3.338 -10.967 1.00 0.00 C ATOM 1615 O VAL A 104 14.308 -2.653 -10.012 1.00 0.00 O ATOM 1616 CB VAL A 104 13.396 -2.901 -13.096 1.00 0.00 C ATOM 1617 CG1 VAL A 104 12.605 -3.559 -14.260 1.00 0.00 C ATOM 1618 CG2 VAL A 104 12.734 -1.554 -12.689 1.00 0.00 C ATOM 0 H VAL A 104 12.202 -3.304 -10.332 1.00 0.00 H new ATOM 0 HA VAL A 104 13.770 -4.843 -12.261 1.00 0.00 H new ATOM 0 HB VAL A 104 14.406 -2.700 -13.453 1.00 0.00 H new ATOM 0 HG11 VAL A 104 12.533 -2.859 -15.092 1.00 0.00 H new ATOM 0 HG12 VAL A 104 13.123 -4.461 -14.588 1.00 0.00 H new ATOM 0 HG13 VAL A 104 11.603 -3.820 -13.918 1.00 0.00 H new ATOM 0 HG21 VAL A 104 12.650 -0.910 -13.565 1.00 0.00 H new ATOM 0 HG22 VAL A 104 11.741 -1.745 -12.283 1.00 0.00 H new ATOM 0 HG23 VAL A 104 13.346 -1.061 -11.934 1.00 0.00 H new ATOM 1628 N ASP A 105 15.922 -3.644 -11.245 1.00 0.00 N ATOM 1629 CA ASP A 105 17.011 -3.092 -10.436 1.00 0.00 C ATOM 1630 C ASP A 105 16.774 -3.230 -8.947 1.00 0.00 C ATOM 1631 O ASP A 105 17.127 -2.325 -8.209 1.00 0.00 O ATOM 1632 CB ASP A 105 17.208 -1.610 -10.856 1.00 0.00 C ATOM 1633 CG ASP A 105 17.307 -1.474 -12.355 1.00 0.00 C ATOM 1634 OD1 ASP A 105 17.989 -2.323 -12.989 1.00 0.00 O ATOM 1635 OD2 ASP A 105 16.704 -0.516 -12.913 1.00 0.00 O ATOM 0 H ASP A 105 16.219 -4.255 -12.006 1.00 0.00 H new ATOM 0 HA ASP A 105 17.920 -3.664 -10.625 1.00 0.00 H new ATOM 0 HB2 ASP A 105 16.374 -1.012 -10.489 1.00 0.00 H new ATOM 0 HB3 ASP A 105 18.112 -1.215 -10.392 1.00 0.00 H new ATOM 1640 N GLY A 106 16.181 -4.353 -8.478 1.00 0.00 N ATOM 1641 CA GLY A 106 15.904 -4.492 -7.048 1.00 0.00 C ATOM 1642 C GLY A 106 15.075 -3.344 -6.516 1.00 0.00 C ATOM 1643 O GLY A 106 15.307 -2.898 -5.402 1.00 0.00 O ATOM 0 H GLY A 106 15.897 -5.145 -9.054 1.00 0.00 H new ATOM 0 HA2 GLY A 106 15.379 -5.431 -6.870 1.00 0.00 H new ATOM 0 HA3 GLY A 106 16.845 -4.544 -6.500 1.00 0.00 H new ATOM 1647 N LYS A 107 14.088 -2.879 -7.314 1.00 0.00 N ATOM 1648 CA LYS A 107 13.173 -1.817 -6.892 1.00 0.00 C ATOM 1649 C LYS A 107 11.805 -2.235 -7.349 1.00 0.00 C ATOM 1650 O LYS A 107 11.734 -3.147 -8.157 1.00 0.00 O ATOM 1651 CB LYS A 107 13.496 -0.477 -7.606 1.00 0.00 C ATOM 1652 CG LYS A 107 14.816 0.148 -7.091 1.00 0.00 C ATOM 1653 CD LYS A 107 15.257 1.316 -8.017 1.00 0.00 C ATOM 1654 CE LYS A 107 16.522 2.042 -7.484 1.00 0.00 C ATOM 1655 NZ LYS A 107 16.196 3.073 -6.469 1.00 0.00 N ATOM 0 H LYS A 107 13.912 -3.230 -8.255 1.00 0.00 H new ATOM 0 HA LYS A 107 13.253 -1.673 -5.814 1.00 0.00 H new ATOM 0 HB2 LYS A 107 13.569 -0.647 -8.680 1.00 0.00 H new ATOM 0 HB3 LYS A 107 12.677 0.225 -7.449 1.00 0.00 H new ATOM 0 HG2 LYS A 107 14.680 0.513 -6.073 1.00 0.00 H new ATOM 0 HG3 LYS A 107 15.597 -0.612 -7.056 1.00 0.00 H new ATOM 0 HD2 LYS A 107 15.456 0.930 -9.017 1.00 0.00 H new ATOM 0 HD3 LYS A 107 14.441 2.032 -8.109 1.00 0.00 H new ATOM 0 HE2 LYS A 107 17.202 1.310 -7.049 1.00 0.00 H new ATOM 0 HE3 LYS A 107 17.048 2.509 -8.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 17.072 3.529 -6.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 15.569 3.788 -6.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 15.718 2.626 -5.661 1.00 0.00 H new ATOM 1669 N LEU A 108 10.736 -1.570 -6.859 1.00 0.00 N ATOM 1670 CA LEU A 108 9.396 -1.866 -7.361 1.00 0.00 C ATOM 1671 C LEU A 108 8.932 -0.608 -8.056 1.00 0.00 C ATOM 1672 O LEU A 108 8.958 0.440 -7.432 1.00 0.00 O ATOM 1673 CB LEU A 108 8.506 -2.415 -6.209 1.00 0.00 C ATOM 1674 CG LEU A 108 7.075 -2.884 -6.619 1.00 0.00 C ATOM 1675 CD1 LEU A 108 6.423 -3.661 -5.443 1.00 0.00 C ATOM 1676 CD2 LEU A 108 6.127 -1.715 -7.001 1.00 0.00 C ATOM 0 H LEU A 108 10.780 -0.849 -6.139 1.00 0.00 H new ATOM 0 HA LEU A 108 9.352 -2.670 -8.096 1.00 0.00 H new ATOM 0 HB2 LEU A 108 9.023 -3.254 -5.744 1.00 0.00 H new ATOM 0 HB3 LEU A 108 8.410 -1.640 -5.449 1.00 0.00 H new ATOM 0 HG LEU A 108 7.204 -3.513 -7.500 1.00 0.00 H new ATOM 0 HD11 LEU A 108 5.424 -3.987 -5.732 1.00 0.00 H new ATOM 0 HD12 LEU A 108 7.033 -4.531 -5.199 1.00 0.00 H new ATOM 0 HD13 LEU A 108 6.354 -3.011 -4.571 1.00 0.00 H new ATOM 0 HD21 LEU A 108 5.150 -2.113 -7.275 1.00 0.00 H new ATOM 0 HD22 LEU A 108 6.019 -1.042 -6.151 1.00 0.00 H new ATOM 0 HD23 LEU A 108 6.546 -1.168 -7.846 1.00 0.00 H new ATOM 1688 N VAL A 109 8.525 -0.698 -9.346 1.00 0.00 N ATOM 1689 CA VAL A 109 8.045 0.463 -10.089 1.00 0.00 C ATOM 1690 C VAL A 109 6.575 0.221 -10.330 1.00 0.00 C ATOM 1691 O VAL A 109 6.187 -0.933 -10.414 1.00 0.00 O ATOM 1692 CB VAL A 109 8.888 0.627 -11.387 1.00 0.00 C ATOM 1693 CG1 VAL A 109 8.243 1.635 -12.373 1.00 0.00 C ATOM 1694 CG2 VAL A 109 10.340 1.050 -11.029 1.00 0.00 C ATOM 0 H VAL A 109 8.525 -1.567 -9.881 1.00 0.00 H new ATOM 0 HA VAL A 109 8.160 1.405 -9.552 1.00 0.00 H new ATOM 0 HB VAL A 109 8.916 -0.338 -11.893 1.00 0.00 H new ATOM 0 HG11 VAL A 109 8.864 1.719 -13.265 1.00 0.00 H new ATOM 0 HG12 VAL A 109 7.250 1.285 -12.654 1.00 0.00 H new ATOM 0 HG13 VAL A 109 8.161 2.611 -11.894 1.00 0.00 H new ATOM 0 HG21 VAL A 109 10.922 1.162 -11.944 1.00 0.00 H new ATOM 0 HG22 VAL A 109 10.321 1.999 -10.492 1.00 0.00 H new ATOM 0 HG23 VAL A 109 10.797 0.286 -10.400 1.00 0.00 H new ATOM 1704 N GLU A 110 5.732 1.276 -10.410 1.00 0.00 N ATOM 1705 CA GLU A 110 4.289 1.048 -10.449 1.00 0.00 C ATOM 1706 C GLU A 110 3.578 2.199 -11.109 1.00 0.00 C ATOM 1707 O GLU A 110 4.146 3.277 -11.149 1.00 0.00 O ATOM 1708 CB GLU A 110 3.839 0.816 -8.980 1.00 0.00 C ATOM 1709 CG GLU A 110 2.307 0.708 -8.770 1.00 0.00 C ATOM 1710 CD GLU A 110 2.002 0.485 -7.309 1.00 0.00 C ATOM 1711 OE1 GLU A 110 1.948 1.488 -6.546 1.00 0.00 O ATOM 1712 OE2 GLU A 110 1.817 -0.697 -6.911 1.00 0.00 O ATOM 0 H GLU A 110 6.021 2.254 -10.447 1.00 0.00 H new ATOM 0 HA GLU A 110 4.034 0.176 -11.052 1.00 0.00 H new ATOM 0 HB2 GLU A 110 4.305 -0.099 -8.614 1.00 0.00 H new ATOM 0 HB3 GLU A 110 4.217 1.634 -8.367 1.00 0.00 H new ATOM 0 HG2 GLU A 110 1.819 1.619 -9.117 1.00 0.00 H new ATOM 0 HG3 GLU A 110 1.907 -0.114 -9.363 1.00 0.00 H new ATOM 1719 N VAL A 111 2.349 1.988 -11.638 1.00 0.00 N ATOM 1720 CA VAL A 111 1.602 3.102 -12.223 1.00 0.00 C ATOM 1721 C VAL A 111 0.136 2.957 -11.918 1.00 0.00 C ATOM 1722 O VAL A 111 -0.299 1.873 -11.562 1.00 0.00 O ATOM 1723 CB VAL A 111 1.770 3.192 -13.775 1.00 0.00 C ATOM 1724 CG1 VAL A 111 3.235 2.900 -14.200 1.00 0.00 C ATOM 1725 CG2 VAL A 111 0.798 2.237 -14.528 1.00 0.00 C ATOM 0 H VAL A 111 1.876 1.085 -11.668 1.00 0.00 H new ATOM 0 HA VAL A 111 2.007 4.012 -11.780 1.00 0.00 H new ATOM 0 HB VAL A 111 1.518 4.215 -14.055 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.320 2.970 -15.284 1.00 0.00 H new ATOM 0 HG12 VAL A 111 3.900 3.628 -13.736 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.514 1.897 -13.878 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.952 2.335 -15.603 1.00 0.00 H new ATOM 0 HG22 VAL A 111 0.992 1.208 -14.226 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -0.231 2.499 -14.283 1.00 0.00 H new ATOM 1735 N SER A 112 -0.629 4.052 -12.120 1.00 0.00 N ATOM 1736 CA SER A 112 -2.082 3.941 -12.201 1.00 0.00 C ATOM 1737 C SER A 112 -2.519 4.920 -13.259 1.00 0.00 C ATOM 1738 O SER A 112 -1.864 5.943 -13.385 1.00 0.00 O ATOM 1739 CB SER A 112 -2.764 4.258 -10.852 1.00 0.00 C ATOM 1740 OG SER A 112 -2.226 3.401 -9.832 1.00 0.00 O ATOM 0 H SER A 112 -0.265 4.999 -12.227 1.00 0.00 H new ATOM 0 HA SER A 112 -2.371 2.920 -12.449 1.00 0.00 H new ATOM 0 HB2 SER A 112 -2.602 5.303 -10.587 1.00 0.00 H new ATOM 0 HB3 SER A 112 -3.841 4.113 -10.934 1.00 0.00 H new ATOM 0 HG SER A 112 -2.272 2.469 -10.130 1.00 0.00 H new ATOM 1746 N THR A 113 -3.579 4.629 -14.041 1.00 0.00 N ATOM 1747 CA THR A 113 -3.888 5.489 -15.178 1.00 0.00 C ATOM 1748 C THR A 113 -5.365 5.437 -15.478 1.00 0.00 C ATOM 1749 O THR A 113 -5.995 4.456 -15.115 1.00 0.00 O ATOM 1750 CB THR A 113 -2.948 5.054 -16.337 1.00 0.00 C ATOM 1751 OG1 THR A 113 -1.591 5.354 -15.959 1.00 0.00 O ATOM 1752 CG2 THR A 113 -3.290 5.740 -17.681 1.00 0.00 C ATOM 0 H THR A 113 -4.207 3.836 -13.907 1.00 0.00 H new ATOM 0 HA THR A 113 -3.698 6.545 -14.985 1.00 0.00 H new ATOM 0 HB THR A 113 -3.082 3.984 -16.497 1.00 0.00 H new ATOM 0 HG1 THR A 113 -1.592 5.913 -15.154 1.00 0.00 H new ATOM 0 HG21 THR A 113 -2.599 5.396 -18.451 1.00 0.00 H new ATOM 0 HG22 THR A 113 -4.310 5.487 -17.969 1.00 0.00 H new ATOM 0 HG23 THR A 113 -3.202 6.821 -17.571 1.00 0.00 H new ATOM 1760 N VAL A 114 -5.927 6.501 -16.102 1.00 0.00 N ATOM 1761 CA VAL A 114 -7.379 6.607 -16.227 1.00 0.00 C ATOM 1762 C VAL A 114 -7.716 7.228 -17.565 1.00 0.00 C ATOM 1763 O VAL A 114 -8.343 8.271 -17.632 1.00 0.00 O ATOM 1764 CB VAL A 114 -7.903 7.337 -14.951 1.00 0.00 C ATOM 1765 CG1 VAL A 114 -7.218 8.717 -14.733 1.00 0.00 C ATOM 1766 CG2 VAL A 114 -9.451 7.473 -14.924 1.00 0.00 C ATOM 0 H VAL A 114 -5.403 7.273 -16.513 1.00 0.00 H new ATOM 0 HA VAL A 114 -7.897 5.648 -16.249 1.00 0.00 H new ATOM 0 HB VAL A 114 -7.624 6.695 -14.115 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -7.618 9.183 -13.833 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -6.143 8.576 -14.622 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -7.413 9.360 -15.592 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -9.755 7.989 -14.013 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -9.781 8.044 -15.792 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -9.904 6.482 -14.948 1.00 0.00 H new ATOM 1776 N GLY A 115 -7.297 6.561 -18.666 1.00 0.00 N ATOM 1777 CA GLY A 115 -7.674 7.020 -20.000 1.00 0.00 C ATOM 1778 C GLY A 115 -7.339 8.474 -20.223 1.00 0.00 C ATOM 1779 O GLY A 115 -8.235 9.239 -20.546 1.00 0.00 O ATOM 0 H GLY A 115 -6.713 5.725 -18.648 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -7.163 6.413 -20.748 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -8.744 6.870 -20.144 1.00 0.00 H new ATOM 1783 N GLY A 116 -6.053 8.863 -20.066 1.00 0.00 N ATOM 1784 CA GLY A 116 -5.650 10.235 -20.368 1.00 0.00 C ATOM 1785 C GLY A 116 -4.610 10.703 -19.384 1.00 0.00 C ATOM 1786 O GLY A 116 -3.489 10.965 -19.791 1.00 0.00 O ATOM 0 H GLY A 116 -5.301 8.256 -19.740 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -5.252 10.290 -21.381 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -6.518 10.893 -20.330 1.00 0.00 H new ATOM 1790 N VAL A 117 -4.977 10.815 -18.085 1.00 0.00 N ATOM 1791 CA VAL A 117 -4.014 11.267 -17.082 1.00 0.00 C ATOM 1792 C VAL A 117 -3.367 10.032 -16.508 1.00 0.00 C ATOM 1793 O VAL A 117 -4.086 9.079 -16.252 1.00 0.00 O ATOM 1794 CB VAL A 117 -4.673 12.123 -15.962 1.00 0.00 C ATOM 1795 CG1 VAL A 117 -3.641 12.481 -14.855 1.00 0.00 C ATOM 1796 CG2 VAL A 117 -5.275 13.421 -16.569 1.00 0.00 C ATOM 0 H VAL A 117 -5.908 10.603 -17.725 1.00 0.00 H new ATOM 0 HA VAL A 117 -3.277 11.920 -17.550 1.00 0.00 H new ATOM 0 HB VAL A 117 -5.471 11.536 -15.508 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -4.127 13.079 -14.084 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -3.251 11.565 -14.411 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -2.821 13.050 -15.293 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -5.734 14.014 -15.778 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -4.484 14.001 -17.045 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -6.030 13.160 -17.311 1.00 0.00 H new ATOM 1806 N SER A 118 -2.028 10.043 -16.304 1.00 0.00 N ATOM 1807 CA SER A 118 -1.341 8.901 -15.714 1.00 0.00 C ATOM 1808 C SER A 118 -0.850 9.292 -14.345 1.00 0.00 C ATOM 1809 O SER A 118 -0.846 10.472 -14.030 1.00 0.00 O ATOM 1810 CB SER A 118 -0.168 8.471 -16.632 1.00 0.00 C ATOM 1811 OG SER A 118 0.730 9.566 -16.873 1.00 0.00 O ATOM 0 H SER A 118 -1.420 10.827 -16.541 1.00 0.00 H new ATOM 0 HA SER A 118 -2.018 8.053 -15.617 1.00 0.00 H new ATOM 0 HB2 SER A 118 0.375 7.646 -16.171 1.00 0.00 H new ATOM 0 HB3 SER A 118 -0.560 8.103 -17.580 1.00 0.00 H new ATOM 0 HG SER A 118 1.461 9.268 -17.453 1.00 0.00 H new ATOM 1817 N TYR A 119 -0.438 8.298 -13.528 1.00 0.00 N ATOM 1818 CA TYR A 119 0.022 8.590 -12.174 1.00 0.00 C ATOM 1819 C TYR A 119 1.161 7.652 -11.872 1.00 0.00 C ATOM 1820 O TYR A 119 1.058 6.793 -11.010 1.00 0.00 O ATOM 1821 CB TYR A 119 -1.200 8.456 -11.233 1.00 0.00 C ATOM 1822 CG TYR A 119 -0.895 8.756 -9.759 1.00 0.00 C ATOM 1823 CD1 TYR A 119 -0.507 10.041 -9.370 1.00 0.00 C ATOM 1824 CD2 TYR A 119 -1.033 7.766 -8.778 1.00 0.00 C ATOM 1825 CE1 TYR A 119 -0.464 10.390 -8.017 1.00 0.00 C ATOM 1826 CE2 TYR A 119 -1.000 8.113 -7.425 1.00 0.00 C ATOM 1827 CZ TYR A 119 -0.774 9.436 -7.039 1.00 0.00 C ATOM 1828 OH TYR A 119 -0.860 9.780 -5.687 1.00 0.00 O ATOM 0 H TYR A 119 -0.418 7.311 -13.785 1.00 0.00 H new ATOM 0 HA TYR A 119 0.409 9.600 -12.041 1.00 0.00 H new ATOM 0 HB2 TYR A 119 -1.984 9.132 -11.575 1.00 0.00 H new ATOM 0 HB3 TYR A 119 -1.596 7.443 -11.312 1.00 0.00 H new ATOM 0 HD1 TYR A 119 -0.238 10.770 -10.120 1.00 0.00 H new ATOM 0 HD2 TYR A 119 -1.165 6.734 -9.067 1.00 0.00 H new ATOM 0 HE1 TYR A 119 -0.192 11.394 -7.726 1.00 0.00 H new ATOM 0 HE2 TYR A 119 -1.150 7.353 -6.673 1.00 0.00 H new ATOM 0 HH TYR A 119 -1.086 8.985 -5.161 1.00 0.00 H new ATOM 1838 N GLU A 120 2.268 7.841 -12.628 1.00 0.00 N ATOM 1839 CA GLU A 120 3.443 6.999 -12.436 1.00 0.00 C ATOM 1840 C GLU A 120 3.870 7.107 -10.993 1.00 0.00 C ATOM 1841 O GLU A 120 3.720 8.172 -10.413 1.00 0.00 O ATOM 1842 CB GLU A 120 4.621 7.436 -13.352 1.00 0.00 C ATOM 1843 CG GLU A 120 5.903 6.584 -13.154 1.00 0.00 C ATOM 1844 CD GLU A 120 6.992 7.087 -14.068 1.00 0.00 C ATOM 1845 OE1 GLU A 120 7.654 8.098 -13.706 1.00 0.00 O ATOM 1846 OE2 GLU A 120 7.193 6.481 -15.156 1.00 0.00 O ATOM 0 H GLU A 120 2.360 8.552 -13.354 1.00 0.00 H new ATOM 0 HA GLU A 120 3.184 5.973 -12.696 1.00 0.00 H new ATOM 0 HB2 GLU A 120 4.306 7.369 -14.393 1.00 0.00 H new ATOM 0 HB3 GLU A 120 4.855 8.482 -13.156 1.00 0.00 H new ATOM 0 HG2 GLU A 120 6.231 6.639 -12.116 1.00 0.00 H new ATOM 0 HG3 GLU A 120 5.692 5.536 -13.366 1.00 0.00 H new ATOM 1853 N ARG A 121 4.403 6.011 -10.410 1.00 0.00 N ATOM 1854 CA ARG A 121 4.843 6.060 -9.020 1.00 0.00 C ATOM 1855 C ARG A 121 5.918 5.023 -8.800 1.00 0.00 C ATOM 1856 O ARG A 121 6.032 4.118 -9.610 1.00 0.00 O ATOM 1857 CB ARG A 121 3.623 5.951 -8.065 1.00 0.00 C ATOM 1858 CG ARG A 121 2.880 4.593 -8.192 1.00 0.00 C ATOM 1859 CD ARG A 121 1.428 4.623 -7.631 1.00 0.00 C ATOM 1860 NE ARG A 121 1.339 4.959 -6.208 1.00 0.00 N ATOM 1861 CZ ARG A 121 0.202 5.000 -5.545 1.00 0.00 C ATOM 1862 NH1 ARG A 121 -0.957 4.713 -6.093 1.00 0.00 N ATOM 1863 NH2 ARG A 121 0.222 5.345 -4.278 1.00 0.00 N ATOM 0 H ARG A 121 4.532 5.111 -10.873 1.00 0.00 H new ATOM 0 HA ARG A 121 5.299 7.022 -8.786 1.00 0.00 H new ATOM 0 HB2 ARG A 121 3.960 6.081 -7.036 1.00 0.00 H new ATOM 0 HB3 ARG A 121 2.927 6.762 -8.278 1.00 0.00 H new ATOM 0 HG2 ARG A 121 2.849 4.302 -9.242 1.00 0.00 H new ATOM 0 HG3 ARG A 121 3.448 3.827 -7.665 1.00 0.00 H new ATOM 0 HD2 ARG A 121 0.846 5.347 -8.201 1.00 0.00 H new ATOM 0 HD3 ARG A 121 0.969 3.648 -7.792 1.00 0.00 H new ATOM 0 HE ARG A 121 2.201 5.172 -5.706 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -1.004 4.443 -7.076 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -1.810 4.760 -5.536 1.00 0.00 H new ATOM 0 HH21 ARG A 121 1.107 5.575 -3.826 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -0.647 5.383 -3.746 1.00 0.00 H new ATOM 1877 N VAL A 122 6.736 5.169 -7.735 1.00 0.00 N ATOM 1878 CA VAL A 122 7.918 4.319 -7.585 1.00 0.00 C ATOM 1879 C VAL A 122 8.064 3.911 -6.145 1.00 0.00 C ATOM 1880 O VAL A 122 7.438 4.531 -5.299 1.00 0.00 O ATOM 1881 CB VAL A 122 9.191 5.050 -8.102 1.00 0.00 C ATOM 1882 CG1 VAL A 122 9.117 5.261 -9.637 1.00 0.00 C ATOM 1883 CG2 VAL A 122 9.388 6.414 -7.389 1.00 0.00 C ATOM 0 H VAL A 122 6.599 5.851 -6.989 1.00 0.00 H new ATOM 0 HA VAL A 122 7.794 3.420 -8.188 1.00 0.00 H new ATOM 0 HB VAL A 122 10.048 4.417 -7.872 1.00 0.00 H new ATOM 0 HG11 VAL A 122 10.017 5.774 -9.978 1.00 0.00 H new ATOM 0 HG12 VAL A 122 9.040 4.294 -10.134 1.00 0.00 H new ATOM 0 HG13 VAL A 122 8.242 5.864 -9.880 1.00 0.00 H new ATOM 0 HG21 VAL A 122 10.286 6.899 -7.773 1.00 0.00 H new ATOM 0 HG22 VAL A 122 8.523 7.051 -7.576 1.00 0.00 H new ATOM 0 HG23 VAL A 122 9.494 6.252 -6.316 1.00 0.00 H new ATOM 1893 N SER A 123 8.869 2.858 -5.865 1.00 0.00 N ATOM 1894 CA SER A 123 8.901 2.318 -4.512 1.00 0.00 C ATOM 1895 C SER A 123 10.198 1.604 -4.200 1.00 0.00 C ATOM 1896 O SER A 123 10.826 1.086 -5.111 1.00 0.00 O ATOM 1897 CB SER A 123 7.727 1.313 -4.422 1.00 0.00 C ATOM 1898 OG SER A 123 6.511 1.923 -4.879 1.00 0.00 O ATOM 0 H SER A 123 9.477 2.391 -6.537 1.00 0.00 H new ATOM 0 HA SER A 123 8.818 3.132 -3.792 1.00 0.00 H new ATOM 0 HB2 SER A 123 7.948 0.431 -5.024 1.00 0.00 H new ATOM 0 HB3 SER A 123 7.607 0.975 -3.393 1.00 0.00 H new ATOM 0 HG SER A 123 5.777 1.276 -4.818 1.00 0.00 H new ATOM 1904 N LYS A 124 10.583 1.576 -2.902 1.00 0.00 N ATOM 1905 CA LYS A 124 11.798 0.888 -2.466 1.00 0.00 C ATOM 1906 C LYS A 124 11.415 -0.476 -1.951 1.00 0.00 C ATOM 1907 O LYS A 124 10.240 -0.698 -1.711 1.00 0.00 O ATOM 1908 CB LYS A 124 12.479 1.690 -1.319 1.00 0.00 C ATOM 1909 CG LYS A 124 12.952 3.103 -1.769 1.00 0.00 C ATOM 1910 CD LYS A 124 14.218 3.118 -2.676 1.00 0.00 C ATOM 1911 CE LYS A 124 15.514 2.687 -1.929 1.00 0.00 C ATOM 1912 NZ LYS A 124 16.723 2.838 -2.774 1.00 0.00 N ATOM 0 H LYS A 124 10.063 2.024 -2.148 1.00 0.00 H new ATOM 0 HA LYS A 124 12.492 0.801 -3.302 1.00 0.00 H new ATOM 0 HB2 LYS A 124 11.780 1.793 -0.489 1.00 0.00 H new ATOM 0 HB3 LYS A 124 13.335 1.127 -0.947 1.00 0.00 H new ATOM 0 HG2 LYS A 124 12.136 3.589 -2.303 1.00 0.00 H new ATOM 0 HG3 LYS A 124 13.153 3.702 -0.881 1.00 0.00 H new ATOM 0 HD2 LYS A 124 14.057 2.452 -3.524 1.00 0.00 H new ATOM 0 HD3 LYS A 124 14.356 4.121 -3.080 1.00 0.00 H new ATOM 0 HE2 LYS A 124 15.627 3.286 -1.025 1.00 0.00 H new ATOM 0 HE3 LYS A 124 15.421 1.648 -1.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 17.562 2.540 -2.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 16.628 2.247 -3.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 16.828 3.834 -3.055 1.00 0.00 H new ATOM 1926 N LYS A 125 12.412 -1.377 -1.781 1.00 0.00 N ATOM 1927 CA LYS A 125 12.158 -2.727 -1.274 1.00 0.00 C ATOM 1928 C LYS A 125 12.805 -2.863 0.084 1.00 0.00 C ATOM 1929 O LYS A 125 13.747 -2.133 0.349 1.00 0.00 O ATOM 1930 CB LYS A 125 12.707 -3.731 -2.326 1.00 0.00 C ATOM 1931 CG LYS A 125 12.397 -5.213 -1.988 1.00 0.00 C ATOM 1932 CD LYS A 125 12.862 -6.169 -3.122 1.00 0.00 C ATOM 1933 CE LYS A 125 12.461 -7.639 -2.819 1.00 0.00 C ATOM 1934 NZ LYS A 125 12.905 -8.553 -3.895 1.00 0.00 N ATOM 0 H LYS A 125 13.392 -1.185 -1.989 1.00 0.00 H new ATOM 0 HA LYS A 125 11.097 -2.934 -1.136 1.00 0.00 H new ATOM 0 HB2 LYS A 125 12.282 -3.492 -3.301 1.00 0.00 H new ATOM 0 HB3 LYS A 125 13.786 -3.604 -2.409 1.00 0.00 H new ATOM 0 HG2 LYS A 125 12.892 -5.485 -1.056 1.00 0.00 H new ATOM 0 HG3 LYS A 125 11.326 -5.333 -1.827 1.00 0.00 H new ATOM 0 HD2 LYS A 125 12.420 -5.857 -4.068 1.00 0.00 H new ATOM 0 HD3 LYS A 125 13.944 -6.101 -3.237 1.00 0.00 H new ATOM 0 HE2 LYS A 125 12.901 -7.950 -1.871 1.00 0.00 H new ATOM 0 HE3 LYS A 125 11.379 -7.707 -2.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 12.622 -9.526 -3.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 12.466 -8.270 -4.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 13.940 -8.506 -3.986 1.00 0.00 H new ATOM 1948 N LEU A 126 12.316 -3.776 0.960 1.00 0.00 N ATOM 1949 CA LEU A 126 12.904 -3.910 2.295 1.00 0.00 C ATOM 1950 C LEU A 126 12.657 -5.287 2.878 1.00 0.00 C ATOM 1951 O LEU A 126 12.209 -5.411 4.007 1.00 0.00 O ATOM 1952 CB LEU A 126 12.581 -2.727 3.261 1.00 0.00 C ATOM 1953 CG LEU A 126 11.095 -2.524 3.694 1.00 0.00 C ATOM 1954 CD1 LEU A 126 11.007 -1.373 4.739 1.00 0.00 C ATOM 1955 CD2 LEU A 126 10.161 -2.190 2.501 1.00 0.00 C ATOM 0 H LEU A 126 11.539 -4.408 0.765 1.00 0.00 H new ATOM 0 HA LEU A 126 13.983 -3.827 2.166 1.00 0.00 H new ATOM 0 HB2 LEU A 126 13.177 -2.860 4.164 1.00 0.00 H new ATOM 0 HB3 LEU A 126 12.920 -1.806 2.787 1.00 0.00 H new ATOM 0 HG LEU A 126 10.759 -3.468 4.124 1.00 0.00 H new ATOM 0 HD11 LEU A 126 9.969 -1.233 5.040 1.00 0.00 H new ATOM 0 HD12 LEU A 126 11.607 -1.628 5.613 1.00 0.00 H new ATOM 0 HD13 LEU A 126 11.384 -0.451 4.297 1.00 0.00 H new ATOM 0 HD21 LEU A 126 9.141 -2.060 2.863 1.00 0.00 H new ATOM 0 HD22 LEU A 126 10.497 -1.270 2.023 1.00 0.00 H new ATOM 0 HD23 LEU A 126 10.188 -3.005 1.778 1.00 0.00 H new ATOM 1967 N ALA A 127 12.987 -6.345 2.101 1.00 0.00 N ATOM 1968 CA ALA A 127 12.903 -7.715 2.607 1.00 0.00 C ATOM 1969 C ALA A 127 13.852 -8.613 1.857 1.00 0.00 C ATOM 1970 O ALA A 127 14.458 -8.203 0.880 1.00 0.00 O ATOM 1971 CB ALA A 127 11.465 -8.257 2.443 1.00 0.00 C ATOM 0 H ALA A 127 13.308 -6.268 1.136 1.00 0.00 H new ATOM 0 HA ALA A 127 13.173 -7.704 3.663 1.00 0.00 H new ATOM 0 HB1 ALA A 127 11.415 -9.277 2.823 1.00 0.00 H new ATOM 0 HB2 ALA A 127 10.773 -7.627 3.002 1.00 0.00 H new ATOM 0 HB3 ALA A 127 11.191 -8.249 1.388 1.00 0.00 H new TER 1977 ALA A 127